USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=31 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 52 THR OG1 : rot -99:sc= 1.22 USER MOD Set 1.2: A 156 GLN : amide:sc= 2.5 K(o=3.7,f=-2.3) USER MOD Set 2.1: A 115 TYR OH : rot 170:sc= -0.0432 USER MOD Set 2.2: A 143 THR OG1 : rot 146:sc= 0.924 USER MOD Set 3.1: A 131 LYS NZ :NH3+ 165:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 133 GLN : amide:sc= 0.323 K(o=1.5,f=-5.7!) USER MOD Set 4.1: A 122 SER OG : rot 37:sc= 0.91 USER MOD Set 4.2: A 142 LYS NZ :NH3+ -170:sc= 2.35 (180deg=1.09) USER MOD Set 5.1: A 86 LYS NZ :NH3+ 172:sc= 1.28 (180deg=0) USER MOD Set 5.2: A 87 SER OG : rot -165:sc= 1.11 USER MOD Set 6.1: A 76 LYS NZ :NH3+ -158:sc= 2.14 (180deg=0.25) USER MOD Set 6.2: A 106 HIS : no HE2:sc= -3.95 K(o=-1.8,f=-18!) USER MOD Single : A 39 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.041) USER MOD Single : A 40 THR OG1 : rot -79:sc= 0.941 USER MOD Single : A 41 SER OG : rot -24:sc= 0.934 USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= 1.22 (180deg=1.1) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.254 USER MOD Single : A 56 THR OG1 : rot -37:sc= 0.647 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= 0.779 (180deg=0.447) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.979 F(o=-2,f=-0.98) USER MOD Single : A 79 ASN : amide:sc= -0.0717 K(o=-0.072,f=-4.9!) USER MOD Single : A 81 LYS NZ :NH3+ 154:sc= -1.24! (180deg=-3.1!) USER MOD Single : A 84 HIS : no HE2:sc= -0.945 X(o=-0.95,f=-0.88) USER MOD Single : A 91 ASN : amide:sc= 2.92 K(o=2.9,f=-6.7!) USER MOD Single : A 100 LYS NZ :NH3+ 166:sc= 1.15 (180deg=1.05) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 9:sc= 0.491 USER MOD Single : A 116 ASN : amide:sc=-0.00162 X(o=-0.0016,f=-0.086) USER MOD Single : A 117 GLN : amide:sc= 1.6 K(o=1.6,f=-0.11) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= -0.0418 USER MOD Single : A 124 SER OG : rot 26:sc= 0.196 USER MOD Single : A 138 SER OG : rot -6:sc= 0.312 USER MOD Single : A 145 ASN : amide:sc= -0.0789 K(o=-0.079,f=-0.61) USER MOD Single : A 149 HIS : no HE2:sc= 0.177 K(o=0.18,f=-5.3!) USER MOD Single : A 155 LYS NZ :NH3+ 137:sc= 0.785 (180deg=-4.19!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -10.632 -14.887 -2.753 1.00 2.77 N ATOM 561 CA GLY A 37 -10.604 -13.911 -3.833 1.00 2.21 C ATOM 562 C GLY A 37 -11.986 -13.298 -4.067 1.00 2.08 C ATOM 563 O GLY A 37 -12.165 -12.105 -3.822 1.00 2.42 O ATOM 0 HA2 GLY A 37 -9.890 -13.123 -3.595 1.00 2.21 H new ATOM 0 HA3 GLY A 37 -10.257 -14.389 -4.749 1.00 2.21 H new ATOM 567 N GLU A 38 -12.935 -14.104 -4.561 1.00 2.07 N ATOM 568 CA GLU A 38 -14.305 -13.742 -4.920 1.00 2.06 C ATOM 569 C GLU A 38 -14.466 -12.278 -5.335 1.00 1.70 C ATOM 570 O GLU A 38 -14.296 -11.949 -6.510 1.00 1.59 O ATOM 571 CB GLU A 38 -15.281 -14.148 -3.797 1.00 2.39 C ATOM 572 CG GLU A 38 -15.935 -15.511 -4.067 1.00 3.26 C ATOM 573 CD GLU A 38 -17.197 -15.367 -4.914 1.00 4.62 C ATOM 574 OE1 GLU A 38 -17.202 -14.482 -5.800 1.00 5.67 O ATOM 575 OE2 GLU A 38 -18.171 -16.094 -4.630 1.00 5.28 O ATOM 0 H GLU A 38 -12.749 -15.093 -4.730 1.00 2.07 H new ATOM 0 HA GLU A 38 -14.559 -14.310 -5.815 1.00 2.06 H new ATOM 0 HB2 GLU A 38 -14.746 -14.184 -2.848 1.00 2.39 H new ATOM 0 HB3 GLU A 38 -16.056 -13.388 -3.698 1.00 2.39 H new ATOM 0 HG2 GLU A 38 -15.225 -16.162 -4.577 1.00 3.26 H new ATOM 0 HG3 GLU A 38 -16.183 -15.991 -3.120 1.00 3.26 H new ATOM 582 N HIS A 39 -14.795 -11.401 -4.382 1.00 1.65 N ATOM 583 CA HIS A 39 -15.198 -10.037 -4.613 1.00 1.60 C ATOM 584 C HIS A 39 -14.078 -9.254 -5.289 1.00 1.36 C ATOM 585 O HIS A 39 -14.365 -8.439 -6.162 1.00 1.42 O ATOM 586 CB HIS A 39 -15.619 -9.429 -3.281 1.00 1.86 C ATOM 587 CG HIS A 39 -16.887 -10.023 -2.721 1.00 2.71 C ATOM 588 ND1 HIS A 39 -18.156 -9.519 -2.893 1.00 3.84 N ATOM 589 CD2 HIS A 39 -16.987 -11.137 -1.931 1.00 3.65 C ATOM 590 CE1 HIS A 39 -19.002 -10.313 -2.215 1.00 4.48 C ATOM 591 NE2 HIS A 39 -18.337 -11.311 -1.613 1.00 4.38 N ATOM 0 H HIS A 39 -14.783 -11.646 -3.392 1.00 1.65 H new ATOM 0 HA HIS A 39 -16.048 -9.998 -5.294 1.00 1.60 H new ATOM 0 HB2 HIS A 39 -14.814 -9.564 -2.559 1.00 1.86 H new ATOM 0 HB3 HIS A 39 -15.756 -8.355 -3.408 1.00 1.86 H new ATOM 0 HD2 HIS A 39 -16.170 -11.767 -1.611 1.00 3.65 H new ATOM 0 HE1 HIS A 39 -20.071 -10.168 -2.162 1.00 4.48 H new ATOM 0 HE2 HIS A 39 -18.738 -12.051 -1.037 1.00 4.38 H new ATOM 599 N THR A 40 -12.817 -9.535 -4.942 1.00 1.31 N ATOM 600 CA THR A 40 -11.688 -8.928 -5.625 1.00 1.31 C ATOM 601 C THR A 40 -11.766 -9.267 -7.108 1.00 1.33 C ATOM 602 O THR A 40 -12.049 -8.412 -7.940 1.00 1.61 O ATOM 603 CB THR A 40 -10.353 -9.394 -5.027 1.00 1.56 C ATOM 604 OG1 THR A 40 -10.193 -10.793 -5.097 1.00 3.08 O ATOM 605 CG2 THR A 40 -10.244 -9.001 -3.563 1.00 2.52 C ATOM 0 H THR A 40 -12.561 -10.178 -4.193 1.00 1.31 H new ATOM 0 HA THR A 40 -11.735 -7.847 -5.495 1.00 1.31 H new ATOM 0 HB THR A 40 -9.579 -8.907 -5.620 1.00 1.56 H new ATOM 0 HG1 THR A 40 -10.701 -11.217 -4.374 1.00 3.08 H new ATOM 0 HG21 THR A 40 -9.289 -9.343 -3.165 1.00 2.52 H new ATOM 0 HG22 THR A 40 -10.308 -7.917 -3.472 1.00 2.52 H new ATOM 0 HG23 THR A 40 -11.057 -9.461 -3.001 1.00 2.52 H new ATOM 613 N SER A 41 -11.521 -10.537 -7.422 1.00 1.25 N ATOM 614 CA SER A 41 -11.518 -11.033 -8.790 1.00 1.31 C ATOM 615 C SER A 41 -12.725 -10.495 -9.573 1.00 1.18 C ATOM 616 O SER A 41 -12.564 -9.881 -10.628 1.00 1.14 O ATOM 617 CB SER A 41 -11.405 -12.562 -8.794 1.00 1.65 C ATOM 618 OG SER A 41 -12.498 -13.199 -8.152 1.00 3.63 O ATOM 0 H SER A 41 -11.318 -11.254 -6.726 1.00 1.25 H new ATOM 0 HA SER A 41 -10.640 -10.657 -9.316 1.00 1.31 H new ATOM 0 HB2 SER A 41 -11.340 -12.914 -9.824 1.00 1.65 H new ATOM 0 HB3 SER A 41 -10.479 -12.854 -8.299 1.00 1.65 H new ATOM 0 HG SER A 41 -12.905 -12.581 -7.510 1.00 3.63 H new ATOM 624 N PHE A 42 -13.917 -10.667 -8.996 1.00 1.31 N ATOM 625 CA PHE A 42 -15.205 -10.180 -9.474 1.00 1.56 C ATOM 626 C PHE A 42 -15.206 -8.678 -9.795 1.00 1.64 C ATOM 627 O PHE A 42 -15.754 -8.289 -10.826 1.00 1.91 O ATOM 628 CB PHE A 42 -16.254 -10.536 -8.413 1.00 1.83 C ATOM 629 CG PHE A 42 -17.651 -9.979 -8.614 1.00 2.00 C ATOM 630 CD1 PHE A 42 -18.329 -10.172 -9.831 1.00 2.54 C ATOM 631 CD2 PHE A 42 -18.257 -9.228 -7.589 1.00 2.73 C ATOM 632 CE1 PHE A 42 -19.581 -9.568 -10.042 1.00 2.75 C ATOM 633 CE2 PHE A 42 -19.524 -8.655 -7.787 1.00 2.94 C ATOM 634 CZ PHE A 42 -20.177 -8.803 -9.023 1.00 2.53 C ATOM 0 H PHE A 42 -14.009 -11.186 -8.123 1.00 1.31 H new ATOM 0 HA PHE A 42 -15.438 -10.662 -10.423 1.00 1.56 H new ATOM 0 HB2 PHE A 42 -16.327 -11.622 -8.359 1.00 1.83 H new ATOM 0 HB3 PHE A 42 -15.888 -10.192 -7.445 1.00 1.83 H new ATOM 0 HD1 PHE A 42 -17.888 -10.784 -10.604 1.00 2.54 H new ATOM 0 HD2 PHE A 42 -17.746 -9.092 -6.647 1.00 2.73 H new ATOM 0 HE1 PHE A 42 -20.086 -9.692 -10.988 1.00 2.75 H new ATOM 0 HE2 PHE A 42 -19.997 -8.101 -6.990 1.00 2.94 H new ATOM 0 HZ PHE A 42 -21.134 -8.331 -9.190 1.00 2.53 H new ATOM 644 N ASP A 43 -14.598 -7.831 -8.953 1.00 1.62 N ATOM 645 CA ASP A 43 -14.483 -6.396 -9.228 1.00 1.96 C ATOM 646 C ASP A 43 -13.709 -6.110 -10.523 1.00 2.21 C ATOM 647 O ASP A 43 -13.852 -5.026 -11.081 1.00 3.08 O ATOM 648 CB ASP A 43 -13.863 -5.658 -8.033 1.00 2.16 C ATOM 649 CG ASP A 43 -13.906 -4.146 -8.228 1.00 2.37 C ATOM 650 OD1 ASP A 43 -12.822 -3.557 -8.433 1.00 3.60 O ATOM 651 OD2 ASP A 43 -15.031 -3.602 -8.154 1.00 2.59 O ATOM 0 H ASP A 43 -14.176 -8.120 -8.070 1.00 1.62 H new ATOM 0 HA ASP A 43 -15.494 -6.016 -9.377 1.00 1.96 H new ATOM 0 HB2 ASP A 43 -14.399 -5.924 -7.122 1.00 2.16 H new ATOM 0 HB3 ASP A 43 -12.830 -5.980 -7.901 1.00 2.16 H new ATOM 656 N LYS A 44 -12.948 -7.103 -11.013 1.00 1.73 N ATOM 657 CA LYS A 44 -12.271 -7.222 -12.308 1.00 1.92 C ATOM 658 C LYS A 44 -10.763 -7.208 -12.104 1.00 2.19 C ATOM 659 O LYS A 44 -10.046 -6.360 -12.633 1.00 2.65 O ATOM 660 CB LYS A 44 -12.755 -6.250 -13.392 1.00 2.09 C ATOM 661 CG LYS A 44 -14.217 -6.559 -13.752 1.00 2.09 C ATOM 662 CD LYS A 44 -15.025 -5.291 -14.051 1.00 2.33 C ATOM 663 CE LYS A 44 -14.466 -4.503 -15.241 1.00 3.25 C ATOM 664 NZ LYS A 44 -14.994 -3.127 -15.254 1.00 3.75 N ATOM 0 H LYS A 44 -12.776 -7.932 -10.445 1.00 1.73 H new ATOM 0 HA LYS A 44 -12.556 -8.189 -12.723 1.00 1.92 H new ATOM 0 HB2 LYS A 44 -12.667 -5.223 -13.038 1.00 2.09 H new ATOM 0 HB3 LYS A 44 -12.126 -6.337 -14.278 1.00 2.09 H new ATOM 0 HG2 LYS A 44 -14.243 -7.217 -14.621 1.00 2.09 H new ATOM 0 HG3 LYS A 44 -14.685 -7.099 -12.929 1.00 2.09 H new ATOM 0 HD2 LYS A 44 -16.060 -5.564 -14.255 1.00 2.33 H new ATOM 0 HD3 LYS A 44 -15.032 -4.652 -13.168 1.00 2.33 H new ATOM 0 HE2 LYS A 44 -13.378 -4.479 -15.188 1.00 3.25 H new ATOM 0 HE3 LYS A 44 -14.728 -5.006 -16.171 1.00 3.25 H new ATOM 0 HZ1 LYS A 44 -14.954 -2.749 -16.222 1.00 3.75 H new ATOM 0 HZ2 LYS A 44 -15.980 -3.130 -14.924 1.00 3.75 H new ATOM 0 HZ3 LYS A 44 -14.421 -2.529 -14.625 1.00 3.75 H new ATOM 678 N LEU A 45 -10.300 -8.203 -11.349 1.00 2.10 N ATOM 679 CA LEU A 45 -8.895 -8.490 -11.120 1.00 2.45 C ATOM 680 C LEU A 45 -8.585 -9.895 -11.665 1.00 2.33 C ATOM 681 O LEU A 45 -8.943 -10.882 -11.025 1.00 2.93 O ATOM 682 CB LEU A 45 -8.561 -8.341 -9.627 1.00 2.79 C ATOM 683 CG LEU A 45 -8.560 -6.868 -9.172 1.00 2.81 C ATOM 684 CD1 LEU A 45 -9.898 -6.403 -8.593 1.00 2.18 C ATOM 685 CD2 LEU A 45 -7.489 -6.677 -8.092 1.00 4.34 C ATOM 0 H LEU A 45 -10.920 -8.852 -10.865 1.00 2.10 H new ATOM 0 HA LEU A 45 -8.263 -7.777 -11.649 1.00 2.45 H new ATOM 0 HB2 LEU A 45 -9.287 -8.901 -9.037 1.00 2.79 H new ATOM 0 HB3 LEU A 45 -7.583 -8.780 -9.430 1.00 2.79 H new ATOM 0 HG LEU A 45 -8.361 -6.272 -10.063 1.00 2.81 H new ATOM 0 HD11 LEU A 45 -9.822 -5.357 -8.295 1.00 2.18 H new ATOM 0 HD12 LEU A 45 -10.677 -6.509 -9.347 1.00 2.18 H new ATOM 0 HD13 LEU A 45 -10.149 -7.011 -7.724 1.00 2.18 H new ATOM 0 HD21 LEU A 45 -7.483 -5.637 -7.766 1.00 4.34 H new ATOM 0 HD22 LEU A 45 -7.710 -7.323 -7.242 1.00 4.34 H new ATOM 0 HD23 LEU A 45 -6.511 -6.935 -8.499 1.00 4.34 H new ATOM 697 N PRO A 46 -7.970 -10.011 -12.858 1.00 1.82 N ATOM 698 CA PRO A 46 -7.710 -11.295 -13.501 1.00 1.92 C ATOM 699 C PRO A 46 -6.460 -11.968 -12.922 1.00 1.90 C ATOM 700 O PRO A 46 -5.872 -11.489 -11.958 1.00 1.94 O ATOM 701 CB PRO A 46 -7.520 -10.941 -14.980 1.00 1.97 C ATOM 702 CG PRO A 46 -6.883 -9.555 -14.930 1.00 1.81 C ATOM 703 CD PRO A 46 -7.585 -8.913 -13.735 1.00 1.68 C ATOM 0 HA PRO A 46 -8.519 -12.009 -13.345 1.00 1.92 H new ATOM 0 HB2 PRO A 46 -6.877 -11.661 -15.487 1.00 1.97 H new ATOM 0 HB3 PRO A 46 -8.469 -10.928 -15.516 1.00 1.97 H new ATOM 0 HG2 PRO A 46 -5.804 -9.609 -14.786 1.00 1.81 H new ATOM 0 HG3 PRO A 46 -7.054 -8.996 -15.850 1.00 1.81 H new ATOM 0 HD2 PRO A 46 -6.922 -8.217 -13.221 1.00 1.68 H new ATOM 0 HD3 PRO A 46 -8.458 -8.344 -14.055 1.00 1.68 H new ATOM 711 N GLU A 47 -5.981 -13.036 -13.564 1.00 2.38 N ATOM 712 CA GLU A 47 -4.723 -13.701 -13.235 1.00 2.74 C ATOM 713 C GLU A 47 -3.504 -12.905 -13.749 1.00 2.17 C ATOM 714 O GLU A 47 -2.546 -13.470 -14.270 1.00 2.91 O ATOM 715 CB GLU A 47 -4.773 -15.144 -13.769 1.00 3.67 C ATOM 716 CG GLU A 47 -5.207 -15.257 -15.244 1.00 3.93 C ATOM 717 CD GLU A 47 -4.981 -16.660 -15.795 1.00 5.04 C ATOM 718 OE1 GLU A 47 -4.736 -16.751 -17.016 1.00 5.66 O ATOM 719 OE2 GLU A 47 -5.075 -17.610 -14.990 1.00 5.76 O ATOM 0 H GLU A 47 -6.471 -13.471 -14.346 1.00 2.38 H new ATOM 0 HA GLU A 47 -4.598 -13.741 -12.153 1.00 2.74 H new ATOM 0 HB2 GLU A 47 -3.787 -15.596 -13.656 1.00 3.67 H new ATOM 0 HB3 GLU A 47 -5.461 -15.724 -13.154 1.00 3.67 H new ATOM 0 HG2 GLU A 47 -6.262 -14.997 -15.333 1.00 3.93 H new ATOM 0 HG3 GLU A 47 -4.649 -14.537 -15.843 1.00 3.93 H new ATOM 726 N GLY A 48 -3.533 -11.578 -13.606 1.00 1.45 N ATOM 727 CA GLY A 48 -2.508 -10.674 -14.106 1.00 1.46 C ATOM 728 C GLY A 48 -1.419 -10.423 -13.061 1.00 1.00 C ATOM 729 O GLY A 48 -1.693 -10.382 -11.863 1.00 2.10 O ATOM 0 H GLY A 48 -4.292 -11.095 -13.126 1.00 1.45 H new ATOM 0 HA2 GLY A 48 -2.059 -11.094 -15.006 1.00 1.46 H new ATOM 0 HA3 GLY A 48 -2.965 -9.726 -14.390 1.00 1.46 H new ATOM 733 N GLY A 49 -0.188 -10.216 -13.527 1.00 1.04 N ATOM 734 CA GLY A 49 1.006 -10.144 -12.690 1.00 1.01 C ATOM 735 C GLY A 49 1.247 -8.782 -12.030 1.00 1.00 C ATOM 736 O GLY A 49 1.746 -8.719 -10.914 1.00 1.59 O ATOM 0 H GLY A 49 0.010 -10.091 -14.520 1.00 1.04 H new ATOM 0 HA2 GLY A 49 0.932 -10.902 -11.910 1.00 1.01 H new ATOM 0 HA3 GLY A 49 1.875 -10.396 -13.298 1.00 1.01 H new ATOM 740 N ARG A 50 0.968 -7.672 -12.710 1.00 0.76 N ATOM 741 CA ARG A 50 1.207 -6.319 -12.211 1.00 0.76 C ATOM 742 C ARG A 50 0.106 -5.408 -12.749 1.00 0.94 C ATOM 743 O ARG A 50 0.023 -5.213 -13.959 1.00 1.36 O ATOM 744 CB ARG A 50 2.598 -5.790 -12.631 1.00 0.84 C ATOM 745 CG ARG A 50 3.677 -5.909 -11.538 1.00 2.09 C ATOM 746 CD ARG A 50 4.475 -7.223 -11.581 1.00 2.81 C ATOM 747 NE ARG A 50 5.204 -7.497 -10.325 1.00 3.88 N ATOM 748 CZ ARG A 50 4.641 -7.855 -9.154 1.00 5.11 C ATOM 749 NH1 ARG A 50 3.323 -7.826 -9.003 1.00 5.81 N ATOM 750 NH2 ARG A 50 5.397 -8.234 -8.120 1.00 6.34 N ATOM 0 H ARG A 50 0.560 -7.688 -13.645 1.00 0.76 H new ATOM 0 HA ARG A 50 1.190 -6.334 -11.121 1.00 0.76 H new ATOM 0 HB2 ARG A 50 2.930 -6.336 -13.514 1.00 0.84 H new ATOM 0 HB3 ARG A 50 2.504 -4.743 -12.920 1.00 0.84 H new ATOM 0 HG2 ARG A 50 4.370 -5.073 -11.634 1.00 2.09 H new ATOM 0 HG3 ARG A 50 3.201 -5.818 -10.562 1.00 2.09 H new ATOM 0 HD2 ARG A 50 3.794 -8.049 -11.787 1.00 2.81 H new ATOM 0 HD3 ARG A 50 5.186 -7.183 -12.406 1.00 2.81 H new ATOM 0 HE ARG A 50 6.220 -7.408 -10.346 1.00 3.88 H new ATOM 0 HH11 ARG A 50 2.727 -7.531 -9.777 1.00 5.81 H new ATOM 0 HH12 ARG A 50 2.905 -8.099 -8.113 1.00 5.81 H new ATOM 0 HH21 ARG A 50 6.413 -8.255 -8.211 1.00 6.34 H new ATOM 0 HH22 ARG A 50 4.959 -8.503 -7.239 1.00 6.34 H new ATOM 764 N ALA A 51 -0.728 -4.851 -11.866 1.00 1.03 N ATOM 765 CA ALA A 51 -1.643 -3.781 -12.244 1.00 1.16 C ATOM 766 C ALA A 51 -0.923 -2.435 -12.302 1.00 0.90 C ATOM 767 O ALA A 51 0.252 -2.328 -11.960 1.00 1.06 O ATOM 768 CB ALA A 51 -2.830 -3.693 -11.287 1.00 1.64 C ATOM 0 H ALA A 51 -0.785 -5.126 -10.886 1.00 1.03 H new ATOM 0 HA ALA A 51 -2.020 -4.021 -13.238 1.00 1.16 H new ATOM 0 HB1 ALA A 51 -3.491 -2.884 -11.600 1.00 1.64 H new ATOM 0 HB2 ALA A 51 -3.378 -4.635 -11.300 1.00 1.64 H new ATOM 0 HB3 ALA A 51 -2.469 -3.497 -10.277 1.00 1.64 H new ATOM 774 N THR A 52 -1.660 -1.408 -12.725 1.00 0.92 N ATOM 775 CA THR A 52 -1.183 -0.056 -12.953 1.00 0.91 C ATOM 776 C THR A 52 -1.765 0.870 -11.879 1.00 1.11 C ATOM 777 O THR A 52 -2.972 0.848 -11.648 1.00 1.71 O ATOM 778 CB THR A 52 -1.586 0.356 -14.383 1.00 1.17 C ATOM 779 OG1 THR A 52 -1.278 1.713 -14.614 1.00 1.43 O ATOM 780 CG2 THR A 52 -3.061 0.077 -14.730 1.00 1.39 C ATOM 0 H THR A 52 -2.655 -1.508 -12.926 1.00 0.92 H new ATOM 0 HA THR A 52 -0.098 0.011 -12.875 1.00 0.91 H new ATOM 0 HB THR A 52 -0.997 -0.277 -15.047 1.00 1.17 H new ATOM 0 HG1 THR A 52 -2.085 2.256 -14.496 1.00 1.43 H new ATOM 0 HG21 THR A 52 -3.261 0.396 -15.753 1.00 1.39 H new ATOM 0 HG22 THR A 52 -3.261 -0.990 -14.637 1.00 1.39 H new ATOM 0 HG23 THR A 52 -3.706 0.628 -14.046 1.00 1.39 H new ATOM 788 N TYR A 53 -0.918 1.671 -11.220 1.00 1.52 N ATOM 789 CA TYR A 53 -1.320 2.776 -10.350 1.00 1.99 C ATOM 790 C TYR A 53 -0.279 3.892 -10.430 1.00 2.10 C ATOM 791 O TYR A 53 0.817 3.676 -10.941 1.00 2.97 O ATOM 792 CB TYR A 53 -1.483 2.325 -8.890 1.00 2.18 C ATOM 793 CG TYR A 53 -2.545 1.271 -8.689 1.00 2.29 C ATOM 794 CD1 TYR A 53 -3.907 1.601 -8.835 1.00 3.61 C ATOM 795 CD2 TYR A 53 -2.161 -0.072 -8.533 1.00 2.36 C ATOM 796 CE1 TYR A 53 -4.876 0.584 -8.869 1.00 4.13 C ATOM 797 CE2 TYR A 53 -3.135 -1.080 -8.543 1.00 2.97 C ATOM 798 CZ TYR A 53 -4.485 -0.757 -8.735 1.00 3.56 C ATOM 799 OH TYR A 53 -5.408 -1.755 -8.772 1.00 4.38 O ATOM 0 H TYR A 53 0.094 1.562 -11.281 1.00 1.52 H new ATOM 0 HA TYR A 53 -2.288 3.139 -10.695 1.00 1.99 H new ATOM 0 HB2 TYR A 53 -0.529 1.938 -8.531 1.00 2.18 H new ATOM 0 HB3 TYR A 53 -1.726 3.193 -8.277 1.00 2.18 H new ATOM 0 HD1 TYR A 53 -4.206 2.635 -8.921 1.00 3.61 H new ATOM 0 HD2 TYR A 53 -1.119 -0.326 -8.406 1.00 2.36 H new ATOM 0 HE1 TYR A 53 -5.919 0.834 -8.998 1.00 4.13 H new ATOM 0 HE2 TYR A 53 -2.844 -2.110 -8.402 1.00 2.97 H new ATOM 0 HH TYR A 53 -4.959 -2.620 -8.665 1.00 4.38 H new ATOM 809 N ARG A 54 -0.603 5.064 -9.877 1.00 1.52 N ATOM 810 CA ARG A 54 0.368 6.056 -9.439 1.00 1.28 C ATOM 811 C ARG A 54 -0.164 6.588 -8.112 1.00 0.99 C ATOM 812 O ARG A 54 -1.368 6.839 -8.012 1.00 1.08 O ATOM 813 CB ARG A 54 0.512 7.195 -10.462 1.00 1.61 C ATOM 814 CG ARG A 54 1.001 6.685 -11.825 1.00 1.79 C ATOM 815 CD ARG A 54 1.520 7.823 -12.712 1.00 2.51 C ATOM 816 NE ARG A 54 0.455 8.770 -13.101 1.00 3.89 N ATOM 817 CZ ARG A 54 0.643 9.927 -13.754 1.00 4.87 C ATOM 818 NH1 ARG A 54 1.878 10.324 -14.080 1.00 4.69 N ATOM 819 NH2 ARG A 54 -0.413 10.674 -14.078 1.00 6.34 N ATOM 0 H ARG A 54 -1.569 5.350 -9.720 1.00 1.52 H new ATOM 0 HA ARG A 54 1.360 5.617 -9.335 1.00 1.28 H new ATOM 0 HB2 ARG A 54 -0.449 7.695 -10.585 1.00 1.61 H new ATOM 0 HB3 ARG A 54 1.212 7.939 -10.081 1.00 1.61 H new ATOM 0 HG2 ARG A 54 1.794 5.952 -11.675 1.00 1.79 H new ATOM 0 HG3 ARG A 54 0.185 6.172 -12.334 1.00 1.79 H new ATOM 0 HD2 ARG A 54 2.305 8.362 -12.182 1.00 2.51 H new ATOM 0 HD3 ARG A 54 1.972 7.402 -13.610 1.00 2.51 H new ATOM 0 HE ARG A 54 -0.503 8.524 -12.852 1.00 3.89 H new ATOM 0 HH11 ARG A 54 2.681 9.746 -13.832 1.00 4.69 H new ATOM 0 HH12 ARG A 54 2.016 11.204 -14.576 1.00 4.69 H new ATOM 0 HH21 ARG A 54 -1.352 10.364 -13.829 1.00 6.34 H new ATOM 0 HH22 ARG A 54 -0.281 11.555 -14.574 1.00 6.34 H new ATOM 833 N GLY A 55 0.678 6.721 -7.081 1.00 0.93 N ATOM 834 CA GLY A 55 0.181 7.177 -5.801 1.00 0.74 C ATOM 835 C GLY A 55 1.269 7.533 -4.806 1.00 0.52 C ATOM 836 O GLY A 55 2.465 7.418 -5.081 1.00 0.57 O ATOM 0 H GLY A 55 1.678 6.523 -7.115 1.00 0.93 H new ATOM 0 HA2 GLY A 55 -0.452 8.050 -5.959 1.00 0.74 H new ATOM 0 HA3 GLY A 55 -0.450 6.400 -5.370 1.00 0.74 H new ATOM 840 N THR A 56 0.807 8.003 -3.650 1.00 0.52 N ATOM 841 CA THR A 56 1.588 8.645 -2.616 1.00 0.63 C ATOM 842 C THR A 56 1.154 8.089 -1.263 1.00 0.60 C ATOM 843 O THR A 56 -0.030 7.837 -1.046 1.00 0.77 O ATOM 844 CB THR A 56 1.354 10.164 -2.679 1.00 0.91 C ATOM 845 OG1 THR A 56 -0.023 10.479 -2.568 1.00 2.18 O ATOM 846 CG2 THR A 56 1.892 10.762 -3.983 1.00 1.46 C ATOM 0 H THR A 56 -0.181 7.938 -3.403 1.00 0.52 H new ATOM 0 HA THR A 56 2.651 8.450 -2.758 1.00 0.63 H new ATOM 0 HB THR A 56 1.894 10.596 -1.836 1.00 0.91 H new ATOM 0 HG1 THR A 56 -0.552 9.804 -3.042 1.00 2.18 H new ATOM 0 HG21 THR A 56 1.709 11.837 -3.993 1.00 1.46 H new ATOM 0 HG22 THR A 56 2.964 10.575 -4.054 1.00 1.46 H new ATOM 0 HG23 THR A 56 1.386 10.300 -4.831 1.00 1.46 H new ATOM 854 N ALA A 57 2.127 7.908 -0.375 1.00 0.62 N ATOM 855 CA ALA A 57 1.972 7.644 1.043 1.00 0.64 C ATOM 856 C ALA A 57 2.612 8.823 1.776 1.00 0.68 C ATOM 857 O ALA A 57 3.690 8.693 2.356 1.00 0.96 O ATOM 858 CB ALA A 57 2.664 6.322 1.379 1.00 0.67 C ATOM 0 H ALA A 57 3.108 7.945 -0.650 1.00 0.62 H new ATOM 0 HA ALA A 57 0.928 7.549 1.340 1.00 0.64 H new ATOM 0 HB1 ALA A 57 2.554 6.114 2.443 1.00 0.67 H new ATOM 0 HB2 ALA A 57 2.209 5.516 0.802 1.00 0.67 H new ATOM 0 HB3 ALA A 57 3.723 6.392 1.131 1.00 0.67 H new ATOM 864 N PHE A 58 1.961 9.985 1.693 1.00 0.61 N ATOM 865 CA PHE A 58 2.465 11.232 2.261 1.00 0.68 C ATOM 866 C PHE A 58 2.182 11.260 3.751 1.00 0.61 C ATOM 867 O PHE A 58 1.153 10.769 4.207 1.00 0.57 O ATOM 868 CB PHE A 58 1.926 12.450 1.507 1.00 0.89 C ATOM 869 CG PHE A 58 0.449 12.733 1.685 1.00 0.95 C ATOM 870 CD1 PHE A 58 -0.506 12.192 0.805 1.00 1.95 C ATOM 871 CD2 PHE A 58 0.036 13.579 2.729 1.00 1.94 C ATOM 872 CE1 PHE A 58 -1.870 12.477 0.991 1.00 2.15 C ATOM 873 CE2 PHE A 58 -1.326 13.840 2.933 1.00 1.99 C ATOM 874 CZ PHE A 58 -2.283 13.300 2.056 1.00 1.39 C ATOM 0 H PHE A 58 1.061 10.085 1.225 1.00 0.61 H new ATOM 0 HA PHE A 58 3.547 11.281 2.138 1.00 0.68 H new ATOM 0 HB2 PHE A 58 2.486 13.329 1.826 1.00 0.89 H new ATOM 0 HB3 PHE A 58 2.125 12.314 0.444 1.00 0.89 H new ATOM 0 HD1 PHE A 58 -0.192 11.559 -0.012 1.00 1.95 H new ATOM 0 HD2 PHE A 58 0.772 14.030 3.378 1.00 1.94 H new ATOM 0 HE1 PHE A 58 -2.603 12.063 0.315 1.00 2.15 H new ATOM 0 HE2 PHE A 58 -1.640 14.455 3.763 1.00 1.99 H new ATOM 0 HZ PHE A 58 -3.332 13.516 2.199 1.00 1.39 H new ATOM 884 N GLY A 59 3.111 11.818 4.519 1.00 0.67 N ATOM 885 CA GLY A 59 2.944 11.917 5.959 1.00 0.75 C ATOM 886 C GLY A 59 1.984 13.064 6.263 1.00 0.89 C ATOM 887 O GLY A 59 1.917 14.023 5.501 1.00 0.98 O ATOM 0 H GLY A 59 3.985 12.207 4.167 1.00 0.67 H new ATOM 0 HA2 GLY A 59 2.553 10.981 6.359 1.00 0.75 H new ATOM 0 HA3 GLY A 59 3.906 12.092 6.440 1.00 0.75 H new ATOM 891 N SER A 60 1.295 13.045 7.406 1.00 1.11 N ATOM 892 CA SER A 60 0.652 14.261 7.899 1.00 1.38 C ATOM 893 C SER A 60 1.675 15.396 8.063 1.00 1.23 C ATOM 894 O SER A 60 1.286 16.561 8.056 1.00 1.40 O ATOM 895 CB SER A 60 -0.083 13.990 9.215 1.00 1.77 C ATOM 896 OG SER A 60 -0.819 15.130 9.622 1.00 2.51 O ATOM 0 H SER A 60 1.170 12.221 7.994 1.00 1.11 H new ATOM 0 HA SER A 60 -0.084 14.579 7.160 1.00 1.38 H new ATOM 0 HB2 SER A 60 -0.756 13.141 9.093 1.00 1.77 H new ATOM 0 HB3 SER A 60 0.635 13.719 9.989 1.00 1.77 H new ATOM 0 HG SER A 60 -1.283 14.937 10.463 1.00 2.51 H new ATOM 902 N ASP A 61 2.957 15.049 8.237 1.00 1.05 N ATOM 903 CA ASP A 61 4.085 15.974 8.304 1.00 1.07 C ATOM 904 C ASP A 61 4.793 16.103 6.939 1.00 0.94 C ATOM 905 O ASP A 61 5.880 16.663 6.854 1.00 1.01 O ATOM 906 CB ASP A 61 5.035 15.403 9.370 1.00 1.29 C ATOM 907 CG ASP A 61 6.200 16.321 9.713 1.00 1.56 C ATOM 908 OD1 ASP A 61 7.340 15.808 9.698 1.00 1.95 O ATOM 909 OD2 ASP A 61 5.922 17.492 10.051 1.00 2.53 O ATOM 0 H ASP A 61 3.243 14.075 8.339 1.00 1.05 H new ATOM 0 HA ASP A 61 3.753 16.979 8.563 1.00 1.07 H new ATOM 0 HB2 ASP A 61 4.467 15.199 10.277 1.00 1.29 H new ATOM 0 HB3 ASP A 61 5.428 14.449 9.019 1.00 1.29 H new ATOM 914 N ASP A 62 4.221 15.517 5.875 1.00 0.90 N ATOM 915 CA ASP A 62 4.932 14.900 4.782 1.00 0.97 C ATOM 916 C ASP A 62 6.433 14.693 4.929 1.00 1.08 C ATOM 917 O ASP A 62 7.247 15.272 4.211 1.00 1.35 O ATOM 918 CB ASP A 62 4.488 15.336 3.386 1.00 1.22 C ATOM 919 CG ASP A 62 4.857 14.249 2.382 1.00 2.00 C ATOM 920 OD1 ASP A 62 5.075 13.101 2.840 1.00 3.04 O ATOM 921 OD2 ASP A 62 4.842 14.550 1.172 1.00 2.54 O ATOM 0 H ASP A 62 3.208 15.467 5.764 1.00 0.90 H new ATOM 0 HA ASP A 62 4.573 13.876 4.887 1.00 0.97 H new ATOM 0 HB2 ASP A 62 3.412 15.512 3.371 1.00 1.22 H new ATOM 0 HB3 ASP A 62 4.968 16.276 3.115 1.00 1.22 H new ATOM 926 N ALA A 63 6.758 13.731 5.791 1.00 0.99 N ATOM 927 CA ALA A 63 7.968 12.949 5.653 1.00 1.04 C ATOM 928 C ALA A 63 7.544 11.547 5.212 1.00 0.90 C ATOM 929 O ALA A 63 7.930 10.551 5.818 1.00 0.94 O ATOM 930 CB ALA A 63 8.638 12.930 7.024 1.00 1.18 C ATOM 0 H ALA A 63 6.188 13.479 6.598 1.00 0.99 H new ATOM 0 HA ALA A 63 8.668 13.352 4.921 1.00 1.04 H new ATOM 0 HB1 ALA A 63 9.559 12.350 6.971 1.00 1.18 H new ATOM 0 HB2 ALA A 63 8.869 13.950 7.330 1.00 1.18 H new ATOM 0 HB3 ALA A 63 7.965 12.477 7.752 1.00 1.18 H new ATOM 936 N GLY A 64 6.774 11.483 4.127 1.00 0.85 N ATOM 937 CA GLY A 64 6.180 10.284 3.576 1.00 0.76 C ATOM 938 C GLY A 64 6.872 9.927 2.258 1.00 0.77 C ATOM 939 O GLY A 64 7.857 10.557 1.876 1.00 1.18 O ATOM 0 H GLY A 64 6.540 12.315 3.586 1.00 0.85 H new ATOM 0 HA2 GLY A 64 6.276 9.460 4.283 1.00 0.76 H new ATOM 0 HA3 GLY A 64 5.114 10.438 3.409 1.00 0.76 H new ATOM 943 N GLY A 65 6.423 8.848 1.617 1.00 0.67 N ATOM 944 CA GLY A 65 7.051 8.256 0.448 1.00 0.72 C ATOM 945 C GLY A 65 6.019 7.986 -0.638 1.00 0.59 C ATOM 946 O GLY A 65 4.840 8.291 -0.490 1.00 0.73 O ATOM 0 H GLY A 65 5.583 8.349 1.912 1.00 0.67 H new ATOM 0 HA2 GLY A 65 7.822 8.924 0.066 1.00 0.72 H new ATOM 0 HA3 GLY A 65 7.545 7.325 0.727 1.00 0.72 H new ATOM 950 N LYS A 66 6.474 7.447 -1.766 1.00 0.59 N ATOM 951 CA LYS A 66 5.623 7.133 -2.906 1.00 0.63 C ATOM 952 C LYS A 66 4.850 5.839 -2.651 1.00 0.83 C ATOM 953 O LYS A 66 5.184 5.087 -1.739 1.00 1.50 O ATOM 954 CB LYS A 66 6.530 6.922 -4.122 1.00 0.97 C ATOM 955 CG LYS A 66 7.297 8.197 -4.475 1.00 1.22 C ATOM 956 CD LYS A 66 8.399 7.921 -5.515 1.00 1.80 C ATOM 957 CE LYS A 66 9.655 7.258 -4.918 1.00 2.38 C ATOM 958 NZ LYS A 66 9.685 5.778 -4.958 1.00 3.86 N ATOM 0 H LYS A 66 7.456 7.214 -1.914 1.00 0.59 H new ATOM 0 HA LYS A 66 4.915 7.945 -3.070 1.00 0.63 H new ATOM 0 HB2 LYS A 66 7.235 6.117 -3.916 1.00 0.97 H new ATOM 0 HB3 LYS A 66 5.929 6.609 -4.976 1.00 0.97 H new ATOM 0 HG2 LYS A 66 6.605 8.943 -4.865 1.00 1.22 H new ATOM 0 HG3 LYS A 66 7.743 8.617 -3.573 1.00 1.22 H new ATOM 0 HD2 LYS A 66 7.996 7.279 -6.298 1.00 1.80 H new ATOM 0 HD3 LYS A 66 8.684 8.860 -5.989 1.00 1.80 H new ATOM 0 HE2 LYS A 66 10.529 7.635 -5.450 1.00 2.38 H new ATOM 0 HE3 LYS A 66 9.752 7.576 -3.880 1.00 2.38 H new ATOM 0 HZ1 LYS A 66 10.132 5.416 -4.091 1.00 3.86 H new ATOM 0 HZ2 LYS A 66 8.714 5.413 -5.025 1.00 3.86 H new ATOM 0 HZ3 LYS A 66 10.231 5.464 -5.786 1.00 3.86 H new ATOM 972 N LEU A 67 3.873 5.542 -3.514 1.00 0.54 N ATOM 973 CA LEU A 67 3.387 4.186 -3.714 1.00 0.57 C ATOM 974 C LEU A 67 3.604 3.825 -5.183 1.00 0.67 C ATOM 975 O LEU A 67 2.878 4.297 -6.057 1.00 0.96 O ATOM 976 CB LEU A 67 1.911 4.058 -3.311 1.00 0.59 C ATOM 977 CG LEU A 67 1.477 2.580 -3.318 1.00 0.61 C ATOM 978 CD1 LEU A 67 1.893 1.877 -2.022 1.00 0.69 C ATOM 979 CD2 LEU A 67 -0.039 2.468 -3.479 1.00 0.69 C ATOM 0 H LEU A 67 3.401 6.239 -4.090 1.00 0.54 H new ATOM 0 HA LEU A 67 3.937 3.492 -3.078 1.00 0.57 H new ATOM 0 HB2 LEU A 67 1.761 4.483 -2.319 1.00 0.59 H new ATOM 0 HB3 LEU A 67 1.289 4.629 -4.000 1.00 0.59 H new ATOM 0 HG LEU A 67 1.973 2.097 -4.160 1.00 0.61 H new ATOM 0 HD11 LEU A 67 1.574 0.835 -2.055 1.00 0.69 H new ATOM 0 HD12 LEU A 67 2.977 1.921 -1.916 1.00 0.69 H new ATOM 0 HD13 LEU A 67 1.425 2.374 -1.172 1.00 0.69 H new ATOM 0 HD21 LEU A 67 -0.328 1.417 -3.482 1.00 0.69 H new ATOM 0 HD22 LEU A 67 -0.531 2.977 -2.651 1.00 0.69 H new ATOM 0 HD23 LEU A 67 -0.340 2.930 -4.419 1.00 0.69 H new ATOM 991 N THR A 68 4.608 2.990 -5.452 1.00 0.67 N ATOM 992 CA THR A 68 4.860 2.459 -6.783 1.00 0.77 C ATOM 993 C THR A 68 3.878 1.318 -7.062 1.00 0.82 C ATOM 994 O THR A 68 3.442 0.627 -6.144 1.00 0.98 O ATOM 995 CB THR A 68 6.329 2.021 -6.867 1.00 0.93 C ATOM 996 OG1 THR A 68 7.138 3.081 -6.387 1.00 2.22 O ATOM 997 CG2 THR A 68 6.750 1.697 -8.304 1.00 1.74 C ATOM 0 H THR A 68 5.269 2.664 -4.747 1.00 0.67 H new ATOM 0 HA THR A 68 4.699 3.214 -7.552 1.00 0.77 H new ATOM 0 HB THR A 68 6.451 1.118 -6.269 1.00 0.93 H new ATOM 0 HG1 THR A 68 8.081 2.819 -6.431 1.00 2.22 H new ATOM 0 HG21 THR A 68 7.796 1.392 -8.317 1.00 1.74 H new ATOM 0 HG22 THR A 68 6.131 0.887 -8.691 1.00 1.74 H new ATOM 0 HG23 THR A 68 6.623 2.581 -8.929 1.00 1.74 H new ATOM 1005 N TYR A 69 3.500 1.137 -8.328 1.00 0.79 N ATOM 1006 CA TYR A 69 2.472 0.179 -8.696 1.00 0.77 C ATOM 1007 C TYR A 69 3.059 -1.227 -8.698 1.00 0.73 C ATOM 1008 O TYR A 69 3.955 -1.540 -9.482 1.00 0.78 O ATOM 1009 CB TYR A 69 1.850 0.558 -10.041 1.00 0.79 C ATOM 1010 CG TYR A 69 2.795 0.683 -11.224 1.00 0.84 C ATOM 1011 CD1 TYR A 69 3.010 -0.415 -12.078 1.00 1.75 C ATOM 1012 CD2 TYR A 69 3.420 1.914 -11.507 1.00 2.06 C ATOM 1013 CE1 TYR A 69 3.854 -0.292 -13.194 1.00 1.80 C ATOM 1014 CE2 TYR A 69 4.273 2.034 -12.616 1.00 2.14 C ATOM 1015 CZ TYR A 69 4.487 0.933 -13.462 1.00 1.12 C ATOM 1016 OH TYR A 69 5.317 1.059 -14.535 1.00 1.36 O ATOM 0 H TYR A 69 3.897 1.648 -9.116 1.00 0.79 H new ATOM 0 HA TYR A 69 1.668 0.197 -7.961 1.00 0.77 H new ATOM 0 HB2 TYR A 69 1.094 -0.188 -10.288 1.00 0.79 H new ATOM 0 HB3 TYR A 69 1.331 1.509 -9.919 1.00 0.79 H new ATOM 0 HD1 TYR A 69 2.523 -1.357 -11.874 1.00 1.75 H new ATOM 0 HD2 TYR A 69 3.242 2.767 -10.869 1.00 2.06 H new ATOM 0 HE1 TYR A 69 4.016 -1.138 -13.845 1.00 1.80 H new ATOM 0 HE2 TYR A 69 4.765 2.974 -12.819 1.00 2.14 H new ATOM 0 HH TYR A 69 5.668 1.973 -14.571 1.00 1.36 H new ATOM 1026 N THR A 70 2.593 -2.075 -7.783 1.00 0.68 N ATOM 1027 CA THR A 70 3.060 -3.444 -7.670 1.00 0.68 C ATOM 1028 C THR A 70 1.961 -4.275 -7.007 1.00 0.66 C ATOM 1029 O THR A 70 1.955 -4.420 -5.786 1.00 0.69 O ATOM 1030 CB THR A 70 4.371 -3.476 -6.859 1.00 0.84 C ATOM 1031 OG1 THR A 70 5.339 -2.595 -7.401 1.00 1.16 O ATOM 1032 CG2 THR A 70 4.987 -4.878 -6.832 1.00 1.02 C ATOM 0 H THR A 70 1.878 -1.825 -7.099 1.00 0.68 H new ATOM 0 HA THR A 70 3.272 -3.867 -8.652 1.00 0.68 H new ATOM 0 HB THR A 70 4.104 -3.167 -5.848 1.00 0.84 H new ATOM 0 HG1 THR A 70 6.157 -2.637 -6.864 1.00 1.16 H new ATOM 0 HG21 THR A 70 5.909 -4.859 -6.251 1.00 1.02 H new ATOM 0 HG22 THR A 70 4.285 -5.575 -6.375 1.00 1.02 H new ATOM 0 HG23 THR A 70 5.206 -5.199 -7.850 1.00 1.02 H new ATOM 1040 N ILE A 71 1.009 -4.777 -7.805 1.00 0.70 N ATOM 1041 CA ILE A 71 -0.060 -5.647 -7.326 1.00 0.76 C ATOM 1042 C ILE A 71 -0.284 -6.748 -8.363 1.00 0.77 C ATOM 1043 O ILE A 71 -0.558 -6.435 -9.521 1.00 1.02 O ATOM 1044 CB ILE A 71 -1.346 -4.847 -6.974 1.00 0.90 C ATOM 1045 CG1 ILE A 71 -2.475 -4.870 -8.014 1.00 1.02 C ATOM 1046 CG2 ILE A 71 -1.077 -3.339 -6.752 1.00 1.11 C ATOM 1047 CD1 ILE A 71 -3.196 -6.186 -8.312 1.00 1.36 C ATOM 0 H ILE A 71 0.964 -4.586 -8.806 1.00 0.70 H new ATOM 0 HA ILE A 71 0.230 -6.117 -6.387 1.00 0.76 H new ATOM 0 HB ILE A 71 -1.660 -5.374 -6.073 1.00 0.90 H new ATOM 0 HG12 ILE A 71 -3.228 -4.150 -7.695 1.00 1.02 H new ATOM 0 HG13 ILE A 71 -2.061 -4.504 -8.954 1.00 1.02 H new ATOM 0 HG21 ILE A 71 -2.012 -2.834 -6.510 1.00 1.11 H new ATOM 0 HG22 ILE A 71 -0.373 -3.212 -5.930 1.00 1.11 H new ATOM 0 HG23 ILE A 71 -0.656 -2.907 -7.660 1.00 1.11 H new ATOM 0 HD11 ILE A 71 -3.962 -6.018 -9.069 1.00 1.36 H new ATOM 0 HD12 ILE A 71 -2.478 -6.919 -8.679 1.00 1.36 H new ATOM 0 HD13 ILE A 71 -3.663 -6.560 -7.401 1.00 1.36 H new ATOM 1059 N ASP A 72 -0.166 -8.017 -7.964 1.00 0.66 N ATOM 1060 CA ASP A 72 -0.531 -9.172 -8.771 1.00 0.64 C ATOM 1061 C ASP A 72 -2.027 -9.404 -8.596 1.00 0.71 C ATOM 1062 O ASP A 72 -2.495 -9.700 -7.497 1.00 0.95 O ATOM 1063 CB ASP A 72 0.280 -10.422 -8.383 1.00 0.76 C ATOM 1064 CG ASP A 72 1.757 -10.174 -8.096 1.00 2.32 C ATOM 1065 OD1 ASP A 72 2.604 -10.799 -8.762 1.00 3.13 O ATOM 1066 OD2 ASP A 72 2.044 -9.304 -7.236 1.00 3.61 O ATOM 0 H ASP A 72 0.196 -8.271 -7.045 1.00 0.66 H new ATOM 0 HA ASP A 72 -0.299 -8.978 -9.818 1.00 0.64 H new ATOM 0 HB2 ASP A 72 -0.175 -10.871 -7.500 1.00 0.76 H new ATOM 0 HB3 ASP A 72 0.200 -11.152 -9.189 1.00 0.76 H new ATOM 1071 N PHE A 73 -2.792 -9.229 -9.668 1.00 0.71 N ATOM 1072 CA PHE A 73 -4.247 -9.244 -9.661 1.00 0.79 C ATOM 1073 C PHE A 73 -4.819 -10.545 -9.103 1.00 0.99 C ATOM 1074 O PHE A 73 -5.864 -10.513 -8.459 1.00 1.29 O ATOM 1075 CB PHE A 73 -4.756 -9.007 -11.074 1.00 0.75 C ATOM 1076 CG PHE A 73 -4.520 -7.626 -11.634 1.00 0.86 C ATOM 1077 CD1 PHE A 73 -3.463 -7.401 -12.528 1.00 2.18 C ATOM 1078 CD2 PHE A 73 -5.510 -6.646 -11.475 1.00 1.65 C ATOM 1079 CE1 PHE A 73 -3.511 -6.313 -13.409 1.00 2.54 C ATOM 1080 CE2 PHE A 73 -5.551 -5.541 -12.337 1.00 1.73 C ATOM 1081 CZ PHE A 73 -4.582 -5.403 -13.346 1.00 1.66 C ATOM 0 H PHE A 73 -2.401 -9.067 -10.596 1.00 0.71 H new ATOM 0 HA PHE A 73 -4.585 -8.446 -9.000 1.00 0.79 H new ATOM 0 HB2 PHE A 73 -4.284 -9.733 -11.736 1.00 0.75 H new ATOM 0 HB3 PHE A 73 -5.827 -9.208 -11.093 1.00 0.75 H new ATOM 0 HD1 PHE A 73 -2.612 -8.066 -12.537 1.00 2.18 H new ATOM 0 HD2 PHE A 73 -6.242 -6.742 -10.687 1.00 1.65 H new ATOM 0 HE1 PHE A 73 -2.726 -6.173 -14.137 1.00 2.54 H new ATOM 0 HE2 PHE A 73 -6.326 -4.797 -12.226 1.00 1.73 H new ATOM 0 HZ PHE A 73 -4.659 -4.604 -14.068 1.00 1.66 H new ATOM 1091 N ALA A 74 -4.118 -11.664 -9.315 1.00 0.99 N ATOM 1092 CA ALA A 74 -4.510 -12.994 -8.849 1.00 1.18 C ATOM 1093 C ALA A 74 -4.970 -13.012 -7.385 1.00 1.17 C ATOM 1094 O ALA A 74 -5.822 -13.819 -7.015 1.00 1.31 O ATOM 1095 CB ALA A 74 -3.337 -13.958 -9.051 1.00 1.29 C ATOM 0 H ALA A 74 -3.238 -11.667 -9.830 1.00 0.99 H new ATOM 0 HA ALA A 74 -5.371 -13.308 -9.439 1.00 1.18 H new ATOM 0 HB1 ALA A 74 -3.620 -14.953 -8.706 1.00 1.29 H new ATOM 0 HB2 ALA A 74 -3.079 -14.000 -10.109 1.00 1.29 H new ATOM 0 HB3 ALA A 74 -2.476 -13.608 -8.481 1.00 1.29 H new ATOM 1101 N ALA A 75 -4.402 -12.133 -6.547 1.00 1.13 N ATOM 1102 CA ALA A 75 -4.878 -11.953 -5.163 1.00 1.23 C ATOM 1103 C ALA A 75 -4.586 -10.572 -4.552 1.00 1.15 C ATOM 1104 O ALA A 75 -4.753 -10.388 -3.347 1.00 1.34 O ATOM 1105 CB ALA A 75 -4.305 -13.054 -4.265 1.00 1.34 C ATOM 0 H ALA A 75 -3.615 -11.536 -6.800 1.00 1.13 H new ATOM 0 HA ALA A 75 -5.964 -12.023 -5.218 1.00 1.23 H new ATOM 0 HB1 ALA A 75 -4.662 -12.914 -3.245 1.00 1.34 H new ATOM 0 HB2 ALA A 75 -4.629 -14.028 -4.632 1.00 1.34 H new ATOM 0 HB3 ALA A 75 -3.216 -13.005 -4.279 1.00 1.34 H new ATOM 1111 N LYS A 76 -4.142 -9.609 -5.364 1.00 1.07 N ATOM 1112 CA LYS A 76 -3.843 -8.245 -4.996 1.00 1.03 C ATOM 1113 C LYS A 76 -2.951 -8.114 -3.765 1.00 0.97 C ATOM 1114 O LYS A 76 -3.348 -7.627 -2.711 1.00 1.21 O ATOM 1115 CB LYS A 76 -5.146 -7.468 -4.996 1.00 1.26 C ATOM 1116 CG LYS A 76 -5.028 -5.944 -5.159 1.00 2.00 C ATOM 1117 CD LYS A 76 -4.568 -5.260 -3.873 1.00 3.34 C ATOM 1118 CE LYS A 76 -4.959 -3.778 -3.815 1.00 4.49 C ATOM 1119 NZ LYS A 76 -6.069 -3.539 -2.869 1.00 5.51 N ATOM 0 H LYS A 76 -3.975 -9.784 -6.355 1.00 1.07 H new ATOM 0 HA LYS A 76 -3.195 -7.779 -5.739 1.00 1.03 H new ATOM 0 HB2 LYS A 76 -5.773 -7.851 -5.801 1.00 1.26 H new ATOM 0 HB3 LYS A 76 -5.667 -7.673 -4.061 1.00 1.26 H new ATOM 0 HG2 LYS A 76 -4.324 -5.719 -5.960 1.00 2.00 H new ATOM 0 HG3 LYS A 76 -5.993 -5.537 -5.460 1.00 2.00 H new ATOM 0 HD2 LYS A 76 -4.999 -5.779 -3.017 1.00 3.34 H new ATOM 0 HD3 LYS A 76 -3.485 -5.349 -3.787 1.00 3.34 H new ATOM 0 HE2 LYS A 76 -4.094 -3.185 -3.517 1.00 4.49 H new ATOM 0 HE3 LYS A 76 -5.250 -3.440 -4.810 1.00 4.49 H new ATOM 0 HZ1 LYS A 76 -6.548 -2.649 -3.114 1.00 5.51 H new ATOM 0 HZ2 LYS A 76 -6.748 -4.325 -2.925 1.00 5.51 H new ATOM 0 HZ3 LYS A 76 -5.693 -3.475 -1.902 1.00 5.51 H new ATOM 1133 N GLN A 77 -1.676 -8.433 -3.974 1.00 0.81 N ATOM 1134 CA GLN A 77 -0.611 -8.193 -3.019 1.00 0.88 C ATOM 1135 C GLN A 77 -0.074 -6.805 -3.342 1.00 1.10 C ATOM 1136 O GLN A 77 1.033 -6.630 -3.846 1.00 1.88 O ATOM 1137 CB GLN A 77 0.447 -9.312 -3.028 1.00 0.99 C ATOM 1138 CG GLN A 77 0.530 -10.125 -4.330 1.00 1.14 C ATOM 1139 CD GLN A 77 -0.581 -11.173 -4.410 1.00 1.07 C ATOM 1140 OE1 GLN A 77 -1.551 -11.023 -5.309 1.00 1.70 O flip ATOM 1141 NE2 GLN A 77 -0.589 -12.123 -3.637 1.00 1.07 N flip ATOM 0 H GLN A 77 -1.353 -8.876 -4.834 1.00 0.81 H new ATOM 0 HA GLN A 77 -0.970 -8.216 -1.990 1.00 0.88 H new ATOM 0 HB2 GLN A 77 1.423 -8.868 -2.833 1.00 0.99 H new ATOM 0 HB3 GLN A 77 0.237 -9.995 -2.205 1.00 0.99 H new ATOM 0 HG2 GLN A 77 0.459 -9.453 -5.185 1.00 1.14 H new ATOM 0 HG3 GLN A 77 1.501 -10.617 -4.391 1.00 1.14 H new ATOM 0 HE21 GLN A 77 0.159 -12.229 -2.952 1.00 1.07 H new ATOM 0 HE22 GLN A 77 -1.344 -12.808 -3.679 1.00 1.07 H new ATOM 1150 N GLY A 78 -0.948 -5.819 -3.141 1.00 1.06 N ATOM 1151 CA GLY A 78 -0.727 -4.455 -3.577 1.00 1.31 C ATOM 1152 C GLY A 78 0.210 -3.737 -2.630 1.00 1.08 C ATOM 1153 O GLY A 78 -0.240 -3.082 -1.693 1.00 1.34 O ATOM 0 H GLY A 78 -1.839 -5.955 -2.664 1.00 1.06 H new ATOM 0 HA2 GLY A 78 -0.308 -4.453 -4.583 1.00 1.31 H new ATOM 0 HA3 GLY A 78 -1.678 -3.925 -3.627 1.00 1.31 H new ATOM 1157 N ASN A 79 1.510 -3.895 -2.869 1.00 0.83 N ATOM 1158 CA ASN A 79 2.538 -3.567 -1.898 1.00 0.79 C ATOM 1159 C ASN A 79 3.660 -2.823 -2.623 1.00 1.00 C ATOM 1160 O ASN A 79 4.507 -3.437 -3.266 1.00 1.79 O ATOM 1161 CB ASN A 79 2.974 -4.864 -1.200 1.00 0.80 C ATOM 1162 CG ASN A 79 1.816 -5.479 -0.403 1.00 1.19 C ATOM 1163 OD1 ASN A 79 1.340 -6.575 -0.695 1.00 2.58 O ATOM 1164 ND2 ASN A 79 1.313 -4.760 0.596 1.00 0.92 N ATOM 0 H ASN A 79 1.877 -4.257 -3.749 1.00 0.83 H new ATOM 0 HA ASN A 79 2.185 -2.900 -1.111 1.00 0.79 H new ATOM 0 HB2 ASN A 79 3.328 -5.579 -1.943 1.00 0.80 H new ATOM 0 HB3 ASN A 79 3.810 -4.658 -0.532 1.00 0.80 H new ATOM 0 HD21 ASN A 79 0.522 -5.116 1.132 1.00 0.92 H new ATOM 0 HD22 ASN A 79 1.719 -3.853 0.826 1.00 0.92 H new ATOM 1171 N GLY A 80 3.619 -1.488 -2.555 1.00 0.63 N ATOM 1172 CA GLY A 80 4.483 -0.566 -3.272 1.00 0.67 C ATOM 1173 C GLY A 80 5.378 0.173 -2.284 1.00 0.72 C ATOM 1174 O GLY A 80 4.913 0.627 -1.244 1.00 0.88 O ATOM 0 H GLY A 80 2.943 -1.004 -1.964 1.00 0.63 H new ATOM 0 HA2 GLY A 80 5.093 -1.110 -3.993 1.00 0.67 H new ATOM 0 HA3 GLY A 80 3.882 0.147 -3.836 1.00 0.67 H new ATOM 1178 N LYS A 81 6.669 0.269 -2.590 1.00 0.74 N ATOM 1179 CA LYS A 81 7.678 0.643 -1.609 1.00 0.70 C ATOM 1180 C LYS A 81 7.759 2.151 -1.338 1.00 0.73 C ATOM 1181 O LYS A 81 7.855 2.966 -2.262 1.00 0.95 O ATOM 1182 CB LYS A 81 9.009 -0.020 -1.971 1.00 0.84 C ATOM 1183 CG LYS A 81 9.588 0.270 -3.369 1.00 1.55 C ATOM 1184 CD LYS A 81 10.049 -1.020 -4.079 1.00 1.99 C ATOM 1185 CE LYS A 81 11.334 -1.674 -3.531 1.00 2.44 C ATOM 1186 NZ LYS A 81 11.391 -1.710 -2.057 1.00 3.39 N ATOM 0 H LYS A 81 7.042 0.090 -3.522 1.00 0.74 H new ATOM 0 HA LYS A 81 7.374 0.255 -0.637 1.00 0.70 H new ATOM 0 HB2 LYS A 81 9.749 0.283 -1.230 1.00 0.84 H new ATOM 0 HB3 LYS A 81 8.885 -1.099 -1.875 1.00 0.84 H new ATOM 0 HG2 LYS A 81 8.835 0.770 -3.978 1.00 1.55 H new ATOM 0 HG3 LYS A 81 10.431 0.955 -3.278 1.00 1.55 H new ATOM 0 HD2 LYS A 81 9.242 -1.750 -4.022 1.00 1.99 H new ATOM 0 HD3 LYS A 81 10.202 -0.795 -5.134 1.00 1.99 H new ATOM 0 HE2 LYS A 81 11.407 -2.692 -3.915 1.00 2.44 H new ATOM 0 HE3 LYS A 81 12.199 -1.128 -3.907 1.00 2.44 H new ATOM 0 HZ1 LYS A 81 11.995 -2.500 -1.752 1.00 3.39 H new ATOM 0 HZ2 LYS A 81 11.786 -0.815 -1.703 1.00 3.39 H new ATOM 0 HZ3 LYS A 81 10.432 -1.841 -1.676 1.00 3.39 H new ATOM 1200 N ILE A 82 7.738 2.520 -0.054 1.00 0.76 N ATOM 1201 CA ILE A 82 7.701 3.899 0.432 1.00 0.99 C ATOM 1202 C ILE A 82 9.143 4.413 0.434 1.00 1.00 C ATOM 1203 O ILE A 82 9.771 4.578 1.478 1.00 1.30 O ATOM 1204 CB ILE A 82 6.993 3.948 1.806 1.00 1.10 C ATOM 1205 CG1 ILE A 82 5.562 3.392 1.672 1.00 1.62 C ATOM 1206 CG2 ILE A 82 6.921 5.358 2.413 1.00 1.61 C ATOM 1207 CD1 ILE A 82 4.765 3.455 2.982 1.00 2.08 C ATOM 0 H ILE A 82 7.747 1.838 0.704 1.00 0.76 H new ATOM 0 HA ILE A 82 7.116 4.560 -0.208 1.00 0.99 H new ATOM 0 HB ILE A 82 7.594 3.338 2.480 1.00 1.10 H new ATOM 0 HG12 ILE A 82 5.031 3.954 0.904 1.00 1.62 H new ATOM 0 HG13 ILE A 82 5.611 2.357 1.333 1.00 1.62 H new ATOM 0 HG21 ILE A 82 6.411 5.314 3.376 1.00 1.61 H new ATOM 0 HG22 ILE A 82 7.930 5.745 2.554 1.00 1.61 H new ATOM 0 HG23 ILE A 82 6.370 6.016 1.741 1.00 1.61 H new ATOM 0 HD11 ILE A 82 3.767 3.049 2.820 1.00 2.08 H new ATOM 0 HD12 ILE A 82 5.275 2.870 3.747 1.00 2.08 H new ATOM 0 HD13 ILE A 82 4.686 4.491 3.310 1.00 2.08 H new ATOM 1219 N GLU A 83 9.685 4.594 -0.773 1.00 0.89 N ATOM 1220 CA GLU A 83 11.117 4.551 -1.021 1.00 0.84 C ATOM 1221 C GLU A 83 11.583 5.745 -1.860 1.00 1.00 C ATOM 1222 O GLU A 83 11.594 5.666 -3.092 1.00 1.62 O ATOM 1223 CB GLU A 83 11.368 3.211 -1.716 1.00 1.25 C ATOM 1224 CG GLU A 83 12.841 2.866 -1.915 1.00 1.37 C ATOM 1225 CD GLU A 83 12.936 1.447 -2.447 1.00 2.05 C ATOM 1226 OE1 GLU A 83 13.130 1.300 -3.671 1.00 2.33 O ATOM 1227 OE2 GLU A 83 12.682 0.523 -1.645 1.00 3.14 O ATOM 0 H GLU A 83 9.131 4.776 -1.610 1.00 0.89 H new ATOM 0 HA GLU A 83 11.691 4.625 -0.097 1.00 0.84 H new ATOM 0 HB2 GLU A 83 10.899 2.420 -1.132 1.00 1.25 H new ATOM 0 HB3 GLU A 83 10.876 3.223 -2.689 1.00 1.25 H new ATOM 0 HG2 GLU A 83 13.302 3.564 -2.613 1.00 1.37 H new ATOM 0 HG3 GLU A 83 13.381 2.954 -0.972 1.00 1.37 H new ATOM 1234 N HIS A 84 11.911 6.866 -1.207 1.00 0.76 N ATOM 1235 CA HIS A 84 12.862 7.869 -1.702 1.00 0.83 C ATOM 1236 C HIS A 84 13.413 8.758 -0.575 1.00 0.84 C ATOM 1237 O HIS A 84 13.723 9.924 -0.815 1.00 1.22 O ATOM 1238 CB HIS A 84 12.254 8.731 -2.819 1.00 1.35 C ATOM 1239 CG HIS A 84 11.108 9.613 -2.383 1.00 1.44 C ATOM 1240 ND1 HIS A 84 11.061 10.985 -2.504 1.00 2.64 N ATOM 1241 CD2 HIS A 84 9.911 9.206 -1.856 1.00 1.93 C ATOM 1242 CE1 HIS A 84 9.850 11.389 -2.085 1.00 3.58 C ATOM 1243 NE2 HIS A 84 9.109 10.336 -1.702 1.00 3.16 N ATOM 0 H HIS A 84 11.514 7.107 -0.299 1.00 0.76 H new ATOM 0 HA HIS A 84 13.699 7.311 -2.121 1.00 0.83 H new ATOM 0 HB2 HIS A 84 13.038 9.360 -3.242 1.00 1.35 H new ATOM 0 HB3 HIS A 84 11.906 8.075 -3.617 1.00 1.35 H new ATOM 0 HD1 HIS A 84 11.810 11.585 -2.849 1.00 2.64 H new ATOM 0 HD2 HIS A 84 9.638 8.192 -1.605 1.00 1.93 H new ATOM 0 HE1 HIS A 84 9.519 12.417 -2.060 1.00 3.58 H new ATOM 1251 N LEU A 85 13.473 8.269 0.666 1.00 0.78 N ATOM 1252 CA LEU A 85 13.697 9.135 1.817 1.00 0.84 C ATOM 1253 C LEU A 85 15.181 9.239 2.148 1.00 1.11 C ATOM 1254 O LEU A 85 15.917 8.256 2.091 1.00 1.49 O ATOM 1255 CB LEU A 85 12.845 8.705 3.023 1.00 0.78 C ATOM 1256 CG LEU A 85 11.353 8.868 2.728 1.00 0.80 C ATOM 1257 CD1 LEU A 85 10.683 7.555 2.317 1.00 1.41 C ATOM 1258 CD2 LEU A 85 10.569 9.495 3.885 1.00 1.29 C ATOM 0 H LEU A 85 13.369 7.280 0.895 1.00 0.78 H new ATOM 0 HA LEU A 85 13.365 10.139 1.553 1.00 0.84 H new ATOM 0 HB2 LEU A 85 13.059 7.665 3.271 1.00 0.78 H new ATOM 0 HB3 LEU A 85 13.114 9.302 3.894 1.00 0.78 H new ATOM 0 HG LEU A 85 11.321 9.557 1.884 1.00 0.80 H new ATOM 0 HD11 LEU A 85 9.626 7.732 2.120 1.00 1.41 H new ATOM 0 HD12 LEU A 85 11.160 7.170 1.416 1.00 1.41 H new ATOM 0 HD13 LEU A 85 10.785 6.827 3.122 1.00 1.41 H new ATOM 0 HD21 LEU A 85 9.518 9.581 3.608 1.00 1.29 H new ATOM 0 HD22 LEU A 85 10.660 8.865 4.770 1.00 1.29 H new ATOM 0 HD23 LEU A 85 10.970 10.485 4.101 1.00 1.29 H new ATOM 1270 N LYS A 86 15.605 10.454 2.515 1.00 1.22 N ATOM 1271 CA LYS A 86 16.964 10.823 2.828 1.00 1.52 C ATOM 1272 C LYS A 86 17.557 9.949 3.935 1.00 1.33 C ATOM 1273 O LYS A 86 18.751 9.664 3.947 1.00 1.77 O ATOM 1274 CB LYS A 86 16.934 12.312 3.202 1.00 1.81 C ATOM 1275 CG LYS A 86 16.154 12.654 4.485 1.00 1.78 C ATOM 1276 CD LYS A 86 14.614 12.572 4.492 1.00 2.13 C ATOM 1277 CE LYS A 86 14.037 13.109 5.814 1.00 2.50 C ATOM 1278 NZ LYS A 86 14.108 12.122 6.917 1.00 3.29 N ATOM 0 H LYS A 86 14.962 11.241 2.602 1.00 1.22 H new ATOM 0 HA LYS A 86 17.619 10.660 1.972 1.00 1.52 H new ATOM 0 HB2 LYS A 86 17.960 12.661 3.317 1.00 1.81 H new ATOM 0 HB3 LYS A 86 16.498 12.869 2.373 1.00 1.81 H new ATOM 0 HG2 LYS A 86 16.518 11.994 5.272 1.00 1.78 H new ATOM 0 HG3 LYS A 86 16.427 13.670 4.770 1.00 1.78 H new ATOM 0 HD2 LYS A 86 14.212 13.146 3.657 1.00 2.13 H new ATOM 0 HD3 LYS A 86 14.301 11.538 4.348 1.00 2.13 H new ATOM 0 HE2 LYS A 86 14.580 14.009 6.103 1.00 2.50 H new ATOM 0 HE3 LYS A 86 12.998 13.400 5.660 1.00 2.50 H new ATOM 0 HZ1 LYS A 86 13.833 12.579 7.810 1.00 3.29 H new ATOM 0 HZ2 LYS A 86 13.461 11.332 6.719 1.00 3.29 H new ATOM 0 HZ3 LYS A 86 15.080 11.761 6.998 1.00 3.29 H new ATOM 1292 N SER A 87 16.713 9.557 4.891 1.00 0.91 N ATOM 1293 CA SER A 87 17.110 8.745 6.023 1.00 1.00 C ATOM 1294 C SER A 87 16.941 7.286 5.592 1.00 0.94 C ATOM 1295 O SER A 87 15.811 6.904 5.297 1.00 0.89 O ATOM 1296 CB SER A 87 16.217 9.108 7.216 1.00 1.24 C ATOM 1297 OG SER A 87 16.205 10.519 7.404 1.00 1.51 O ATOM 0 H SER A 87 15.723 9.802 4.893 1.00 0.91 H new ATOM 0 HA SER A 87 18.143 8.912 6.328 1.00 1.00 H new ATOM 0 HB2 SER A 87 15.203 8.747 7.045 1.00 1.24 H new ATOM 0 HB3 SER A 87 16.582 8.616 8.117 1.00 1.24 H new ATOM 0 HG SER A 87 15.839 10.728 8.289 1.00 1.51 H new ATOM 1303 N PRO A 88 18.008 6.472 5.518 1.00 1.06 N ATOM 1304 CA PRO A 88 17.957 5.166 4.876 1.00 1.06 C ATOM 1305 C PRO A 88 16.807 4.321 5.426 1.00 1.07 C ATOM 1306 O PRO A 88 15.944 3.879 4.670 1.00 1.37 O ATOM 1307 CB PRO A 88 19.338 4.530 5.084 1.00 1.34 C ATOM 1308 CG PRO A 88 19.977 5.354 6.204 1.00 1.49 C ATOM 1309 CD PRO A 88 19.335 6.732 6.048 1.00 1.33 C ATOM 0 HA PRO A 88 17.748 5.246 3.809 1.00 1.06 H new ATOM 0 HB2 PRO A 88 19.253 3.480 5.363 1.00 1.34 H new ATOM 0 HB3 PRO A 88 19.934 4.570 4.172 1.00 1.34 H new ATOM 0 HG2 PRO A 88 19.772 4.925 7.185 1.00 1.49 H new ATOM 0 HG3 PRO A 88 21.061 5.402 6.098 1.00 1.49 H new ATOM 0 HD2 PRO A 88 19.283 7.253 7.004 1.00 1.33 H new ATOM 0 HD3 PRO A 88 19.913 7.362 5.372 1.00 1.33 H new ATOM 1317 N GLU A 89 16.760 4.170 6.750 1.00 1.11 N ATOM 1318 CA GLU A 89 15.747 3.407 7.461 1.00 1.28 C ATOM 1319 C GLU A 89 14.317 3.774 7.054 1.00 1.22 C ATOM 1320 O GLU A 89 13.440 2.915 7.024 1.00 1.67 O ATOM 1321 CB GLU A 89 15.919 3.620 8.967 1.00 1.53 C ATOM 1322 CG GLU A 89 17.385 3.566 9.415 1.00 2.17 C ATOM 1323 CD GLU A 89 17.444 3.250 10.896 1.00 3.57 C ATOM 1324 OE1 GLU A 89 17.636 4.202 11.681 1.00 3.76 O ATOM 1325 OE2 GLU A 89 17.245 2.054 11.196 1.00 5.22 O ATOM 0 H GLU A 89 17.450 4.591 7.372 1.00 1.11 H new ATOM 0 HA GLU A 89 15.891 2.360 7.195 1.00 1.28 H new ATOM 0 HB2 GLU A 89 15.496 4.586 9.243 1.00 1.53 H new ATOM 0 HB3 GLU A 89 15.352 2.859 9.503 1.00 1.53 H new ATOM 0 HG2 GLU A 89 17.923 2.807 8.848 1.00 2.17 H new ATOM 0 HG3 GLU A 89 17.874 4.519 9.215 1.00 2.17 H new ATOM 1332 N LEU A 90 14.067 5.056 6.762 1.00 0.97 N ATOM 1333 CA LEU A 90 12.729 5.536 6.437 1.00 0.92 C ATOM 1334 C LEU A 90 12.241 4.983 5.103 1.00 0.77 C ATOM 1335 O LEU A 90 11.053 5.109 4.814 1.00 0.90 O ATOM 1336 CB LEU A 90 12.686 7.072 6.404 1.00 0.93 C ATOM 1337 CG LEU A 90 12.458 7.754 7.759 1.00 1.14 C ATOM 1338 CD1 LEU A 90 10.965 7.742 8.111 1.00 1.52 C ATOM 1339 CD2 LEU A 90 13.302 7.159 8.892 1.00 2.00 C ATOM 0 H LEU A 90 14.784 5.781 6.746 1.00 0.97 H new ATOM 0 HA LEU A 90 12.065 5.177 7.223 1.00 0.92 H new ATOM 0 HB2 LEU A 90 13.625 7.436 5.987 1.00 0.93 H new ATOM 0 HB3 LEU A 90 11.893 7.382 5.723 1.00 0.93 H new ATOM 0 HG LEU A 90 12.794 8.786 7.654 1.00 1.14 H new ATOM 0 HD11 LEU A 90 10.814 8.229 9.075 1.00 1.52 H new ATOM 0 HD12 LEU A 90 10.406 8.277 7.343 1.00 1.52 H new ATOM 0 HD13 LEU A 90 10.612 6.712 8.166 1.00 1.52 H new ATOM 0 HD21 LEU A 90 13.090 7.689 9.821 1.00 2.00 H new ATOM 0 HD22 LEU A 90 13.057 6.104 9.013 1.00 2.00 H new ATOM 0 HD23 LEU A 90 14.360 7.261 8.650 1.00 2.00 H new ATOM 1351 N ASN A 91 13.121 4.398 4.280 1.00 0.67 N ATOM 1352 CA ASN A 91 12.708 3.806 3.013 1.00 0.63 C ATOM 1353 C ASN A 91 11.949 2.514 3.296 1.00 0.68 C ATOM 1354 O ASN A 91 12.477 1.416 3.146 1.00 1.13 O ATOM 1355 CB ASN A 91 13.908 3.600 2.088 1.00 0.75 C ATOM 1356 CG ASN A 91 14.445 4.956 1.656 1.00 0.90 C ATOM 1357 OD1 ASN A 91 13.996 5.529 0.665 1.00 1.80 O ATOM 1358 ND2 ASN A 91 15.355 5.517 2.442 1.00 0.93 N ATOM 0 H ASN A 91 14.120 4.325 4.473 1.00 0.67 H new ATOM 0 HA ASN A 91 12.037 4.483 2.484 1.00 0.63 H new ATOM 0 HB2 ASN A 91 14.685 3.034 2.602 1.00 0.75 H new ATOM 0 HB3 ASN A 91 13.614 3.017 1.215 1.00 0.75 H new ATOM 0 HD21 ASN A 91 15.704 6.452 2.232 1.00 0.93 H new ATOM 0 HD22 ASN A 91 15.706 5.013 3.256 1.00 0.93 H new ATOM 1365 N VAL A 92 10.714 2.672 3.762 1.00 0.58 N ATOM 1366 CA VAL A 92 9.875 1.589 4.219 1.00 0.56 C ATOM 1367 C VAL A 92 9.485 0.717 3.030 1.00 0.52 C ATOM 1368 O VAL A 92 8.863 1.197 2.083 1.00 0.70 O ATOM 1369 CB VAL A 92 8.673 2.158 4.997 1.00 0.63 C ATOM 1370 CG1 VAL A 92 7.451 1.237 4.981 1.00 0.92 C ATOM 1371 CG2 VAL A 92 9.081 2.362 6.454 1.00 1.06 C ATOM 0 H VAL A 92 10.265 3.585 3.831 1.00 0.58 H new ATOM 0 HA VAL A 92 10.411 0.944 4.915 1.00 0.56 H new ATOM 0 HB VAL A 92 8.396 3.092 4.508 1.00 0.63 H new ATOM 0 HG11 VAL A 92 6.641 1.697 5.547 1.00 0.92 H new ATOM 0 HG12 VAL A 92 7.130 1.077 3.952 1.00 0.92 H new ATOM 0 HG13 VAL A 92 7.711 0.280 5.433 1.00 0.92 H new ATOM 0 HG21 VAL A 92 8.238 2.765 7.015 1.00 1.06 H new ATOM 0 HG22 VAL A 92 9.381 1.407 6.885 1.00 1.06 H new ATOM 0 HG23 VAL A 92 9.916 3.060 6.504 1.00 1.06 H new ATOM 1381 N ASP A 93 9.827 -0.571 3.091 1.00 0.50 N ATOM 1382 CA ASP A 93 9.369 -1.541 2.114 1.00 0.54 C ATOM 1383 C ASP A 93 8.152 -2.230 2.711 1.00 0.61 C ATOM 1384 O ASP A 93 8.065 -2.399 3.925 1.00 0.74 O ATOM 1385 CB ASP A 93 10.488 -2.560 1.829 1.00 0.60 C ATOM 1386 CG ASP A 93 10.563 -2.958 0.367 1.00 0.98 C ATOM 1387 OD1 ASP A 93 11.668 -3.335 -0.089 1.00 1.87 O ATOM 1388 OD2 ASP A 93 9.585 -2.727 -0.374 1.00 1.79 O ATOM 0 H ASP A 93 10.426 -0.963 3.818 1.00 0.50 H new ATOM 0 HA ASP A 93 9.110 -1.063 1.170 1.00 0.54 H new ATOM 0 HB2 ASP A 93 11.445 -2.137 2.135 1.00 0.60 H new ATOM 0 HB3 ASP A 93 10.325 -3.451 2.435 1.00 0.60 H new ATOM 1393 N LEU A 94 7.189 -2.594 1.875 1.00 0.68 N ATOM 1394 CA LEU A 94 5.944 -3.199 2.327 1.00 0.78 C ATOM 1395 C LEU A 94 6.037 -4.715 2.180 1.00 0.76 C ATOM 1396 O LEU A 94 6.545 -5.197 1.169 1.00 0.91 O ATOM 1397 CB LEU A 94 4.773 -2.642 1.512 1.00 1.13 C ATOM 1398 CG LEU A 94 4.704 -1.108 1.457 1.00 1.05 C ATOM 1399 CD1 LEU A 94 3.322 -0.679 0.958 1.00 1.11 C ATOM 1400 CD2 LEU A 94 4.908 -0.435 2.805 1.00 1.76 C ATOM 0 H LEU A 94 7.249 -2.478 0.863 1.00 0.68 H new ATOM 0 HA LEU A 94 5.775 -2.959 3.377 1.00 0.78 H new ATOM 0 HB2 LEU A 94 4.841 -3.026 0.494 1.00 1.13 H new ATOM 0 HB3 LEU A 94 3.842 -3.020 1.934 1.00 1.13 H new ATOM 0 HG LEU A 94 5.511 -0.801 0.792 1.00 1.05 H new ATOM 0 HD11 LEU A 94 3.271 0.409 0.918 1.00 1.11 H new ATOM 0 HD12 LEU A 94 3.152 -1.087 -0.038 1.00 1.11 H new ATOM 0 HD13 LEU A 94 2.557 -1.053 1.638 1.00 1.11 H new ATOM 0 HD21 LEU A 94 4.845 0.647 2.685 1.00 1.76 H new ATOM 0 HD22 LEU A 94 4.136 -0.768 3.499 1.00 1.76 H new ATOM 0 HD23 LEU A 94 5.889 -0.700 3.199 1.00 1.76 H new ATOM 1412 N ALA A 95 5.511 -5.481 3.142 1.00 0.75 N ATOM 1413 CA ALA A 95 5.493 -6.930 3.004 1.00 0.82 C ATOM 1414 C ALA A 95 4.377 -7.310 2.029 1.00 0.79 C ATOM 1415 O ALA A 95 3.386 -6.590 1.916 1.00 0.85 O ATOM 1416 CB ALA A 95 5.259 -7.576 4.372 1.00 0.93 C ATOM 0 H ALA A 95 5.101 -5.125 4.006 1.00 0.75 H new ATOM 0 HA ALA A 95 6.448 -7.287 2.619 1.00 0.82 H new ATOM 0 HB1 ALA A 95 5.246 -8.661 4.265 1.00 0.93 H new ATOM 0 HB2 ALA A 95 6.061 -7.288 5.052 1.00 0.93 H new ATOM 0 HB3 ALA A 95 4.303 -7.240 4.774 1.00 0.93 H new ATOM 1422 N ALA A 96 4.524 -8.436 1.325 1.00 0.81 N ATOM 1423 CA ALA A 96 3.523 -8.869 0.359 1.00 0.82 C ATOM 1424 C ALA A 96 2.359 -9.468 1.143 1.00 0.74 C ATOM 1425 O ALA A 96 2.580 -10.377 1.939 1.00 1.13 O ATOM 1426 CB ALA A 96 4.114 -9.900 -0.608 1.00 0.97 C ATOM 0 H ALA A 96 5.327 -9.060 1.409 1.00 0.81 H new ATOM 0 HA ALA A 96 3.182 -8.025 -0.241 1.00 0.82 H new ATOM 0 HB1 ALA A 96 3.350 -10.210 -1.321 1.00 0.97 H new ATOM 0 HB2 ALA A 96 4.953 -9.456 -1.145 1.00 0.97 H new ATOM 0 HB3 ALA A 96 4.461 -10.768 -0.047 1.00 0.97 H new ATOM 1432 N ALA A 97 1.146 -8.935 0.966 1.00 0.60 N ATOM 1433 CA ALA A 97 0.013 -9.301 1.805 1.00 0.57 C ATOM 1434 C ALA A 97 -1.291 -9.252 1.018 1.00 0.67 C ATOM 1435 O ALA A 97 -1.562 -8.275 0.323 1.00 1.12 O ATOM 1436 CB ALA A 97 -0.052 -8.366 3.012 1.00 0.88 C ATOM 0 H ALA A 97 0.929 -8.247 0.245 1.00 0.60 H new ATOM 0 HA ALA A 97 0.151 -10.325 2.151 1.00 0.57 H new ATOM 0 HB1 ALA A 97 -0.900 -8.640 3.639 1.00 0.88 H new ATOM 0 HB2 ALA A 97 0.869 -8.452 3.589 1.00 0.88 H new ATOM 0 HB3 ALA A 97 -0.171 -7.338 2.670 1.00 0.88 H new ATOM 1442 N ASP A 98 -2.087 -10.312 1.137 1.00 0.64 N ATOM 1443 CA ASP A 98 -3.248 -10.586 0.311 1.00 0.77 C ATOM 1444 C ASP A 98 -4.454 -9.749 0.736 1.00 0.88 C ATOM 1445 O ASP A 98 -4.462 -9.095 1.782 1.00 1.22 O ATOM 1446 CB ASP A 98 -3.656 -12.067 0.468 1.00 1.02 C ATOM 1447 CG ASP A 98 -2.512 -13.069 0.467 1.00 2.14 C ATOM 1448 OD1 ASP A 98 -1.591 -12.887 1.293 1.00 3.11 O ATOM 1449 OD2 ASP A 98 -2.642 -14.052 -0.295 1.00 3.05 O ATOM 0 H ASP A 98 -1.929 -11.031 1.843 1.00 0.64 H new ATOM 0 HA ASP A 98 -2.974 -10.345 -0.716 1.00 0.77 H new ATOM 0 HB2 ASP A 98 -4.209 -12.176 1.401 1.00 1.02 H new ATOM 0 HB3 ASP A 98 -4.341 -12.324 -0.340 1.00 1.02 H new ATOM 1454 N ILE A 99 -5.524 -9.884 -0.049 1.00 0.76 N ATOM 1455 CA ILE A 99 -6.885 -9.585 0.308 1.00 0.75 C ATOM 1456 C ILE A 99 -7.703 -10.820 -0.077 1.00 0.94 C ATOM 1457 O ILE A 99 -7.749 -11.192 -1.248 1.00 1.56 O ATOM 1458 CB ILE A 99 -7.334 -8.319 -0.429 1.00 0.79 C ATOM 1459 CG1 ILE A 99 -8.861 -8.269 -0.426 1.00 0.99 C ATOM 1460 CG2 ILE A 99 -6.766 -8.200 -1.846 1.00 1.03 C ATOM 1461 CD1 ILE A 99 -9.365 -6.895 -0.853 1.00 1.14 C ATOM 0 H ILE A 99 -5.443 -10.227 -1.006 1.00 0.76 H new ATOM 0 HA ILE A 99 -7.014 -9.381 1.371 1.00 0.75 H new ATOM 0 HB ILE A 99 -6.930 -7.458 0.103 1.00 0.79 H new ATOM 0 HG12 ILE A 99 -9.254 -9.030 -1.100 1.00 0.99 H new ATOM 0 HG13 ILE A 99 -9.234 -8.503 0.571 1.00 0.99 H new ATOM 0 HG21 ILE A 99 -7.126 -7.280 -2.306 1.00 1.03 H new ATOM 0 HG22 ILE A 99 -5.677 -8.181 -1.801 1.00 1.03 H new ATOM 0 HG23 ILE A 99 -7.090 -9.054 -2.441 1.00 1.03 H new ATOM 0 HD11 ILE A 99 -10.455 -6.888 -0.842 1.00 1.14 H new ATOM 0 HD12 ILE A 99 -8.990 -6.139 -0.163 1.00 1.14 H new ATOM 0 HD13 ILE A 99 -9.011 -6.674 -1.860 1.00 1.14 H new ATOM 1473 N LYS A 100 -8.287 -11.496 0.915 1.00 1.08 N ATOM 1474 CA LYS A 100 -9.147 -12.658 0.730 1.00 1.38 C ATOM 1475 C LYS A 100 -10.561 -12.507 1.330 1.00 1.29 C ATOM 1476 O LYS A 100 -11.503 -12.967 0.689 1.00 2.39 O ATOM 1477 CB LYS A 100 -8.416 -13.890 1.271 1.00 2.30 C ATOM 1478 CG LYS A 100 -7.240 -14.271 0.360 1.00 3.96 C ATOM 1479 CD LYS A 100 -6.273 -15.180 1.126 1.00 5.03 C ATOM 1480 CE LYS A 100 -5.534 -16.172 0.213 1.00 6.78 C ATOM 1481 NZ LYS A 100 -4.725 -15.507 -0.829 1.00 8.19 N ATOM 0 H LYS A 100 -8.169 -11.240 1.895 1.00 1.08 H new ATOM 0 HA LYS A 100 -9.333 -12.769 -0.338 1.00 1.38 H new ATOM 0 HB2 LYS A 100 -8.051 -13.689 2.278 1.00 2.30 H new ATOM 0 HB3 LYS A 100 -9.110 -14.727 1.345 1.00 2.30 H new ATOM 0 HG2 LYS A 100 -7.607 -14.781 -0.531 1.00 3.96 H new ATOM 0 HG3 LYS A 100 -6.722 -13.373 0.023 1.00 3.96 H new ATOM 0 HD2 LYS A 100 -5.543 -14.564 1.651 1.00 5.03 H new ATOM 0 HD3 LYS A 100 -6.827 -15.735 1.884 1.00 5.03 H new ATOM 0 HE2 LYS A 100 -4.885 -16.803 0.821 1.00 6.78 H new ATOM 0 HE3 LYS A 100 -6.261 -16.829 -0.264 1.00 6.78 H new ATOM 0 HZ1 LYS A 100 -4.073 -16.196 -1.255 1.00 8.19 H new ATOM 0 HZ2 LYS A 100 -5.353 -15.124 -1.564 1.00 8.19 H new ATOM 0 HZ3 LYS A 100 -4.178 -14.732 -0.402 1.00 8.19 H new ATOM 1495 N PRO A 101 -10.759 -11.955 2.546 1.00 1.54 N ATOM 1496 CA PRO A 101 -12.040 -12.061 3.240 1.00 2.20 C ATOM 1497 C PRO A 101 -12.962 -10.861 2.983 1.00 1.54 C ATOM 1498 O PRO A 101 -13.857 -10.586 3.786 1.00 2.39 O ATOM 1499 CB PRO A 101 -11.649 -12.149 4.719 1.00 3.70 C ATOM 1500 CG PRO A 101 -10.470 -11.182 4.792 1.00 3.96 C ATOM 1501 CD PRO A 101 -9.759 -11.408 3.456 1.00 2.79 C ATOM 0 HA PRO A 101 -12.613 -12.920 2.892 1.00 2.20 H new ATOM 0 HB2 PRO A 101 -12.465 -11.848 5.376 1.00 3.70 H new ATOM 0 HB3 PRO A 101 -11.365 -13.161 5.007 1.00 3.70 H new ATOM 0 HG2 PRO A 101 -10.801 -10.149 4.904 1.00 3.96 H new ATOM 0 HG3 PRO A 101 -9.819 -11.402 5.638 1.00 3.96 H new ATOM 0 HD2 PRO A 101 -9.352 -10.474 3.070 1.00 2.79 H new ATOM 0 HD3 PRO A 101 -8.922 -12.096 3.573 1.00 2.79 H new ATOM 1509 N ASP A 102 -12.769 -10.114 1.893 1.00 1.34 N ATOM 1510 CA ASP A 102 -13.596 -8.963 1.585 1.00 1.72 C ATOM 1511 C ASP A 102 -14.961 -9.433 1.085 1.00 1.66 C ATOM 1512 O ASP A 102 -15.174 -9.621 -0.107 1.00 3.04 O ATOM 1513 CB ASP A 102 -12.888 -8.041 0.582 1.00 2.72 C ATOM 1514 CG ASP A 102 -12.480 -8.747 -0.705 1.00 4.50 C ATOM 1515 OD1 ASP A 102 -11.775 -9.772 -0.567 1.00 5.35 O ATOM 1516 OD2 ASP A 102 -12.822 -8.217 -1.787 1.00 5.63 O ATOM 0 H ASP A 102 -12.036 -10.296 1.207 1.00 1.34 H new ATOM 0 HA ASP A 102 -13.758 -8.374 2.488 1.00 1.72 H new ATOM 0 HB2 ASP A 102 -13.547 -7.208 0.337 1.00 2.72 H new ATOM 0 HB3 ASP A 102 -12.001 -7.618 1.053 1.00 2.72 H new ATOM 1521 N GLY A 103 -15.925 -9.584 1.993 1.00 1.86 N ATOM 1522 CA GLY A 103 -17.310 -9.897 1.645 1.00 2.62 C ATOM 1523 C GLY A 103 -18.041 -8.693 1.035 1.00 2.33 C ATOM 1524 O GLY A 103 -19.108 -8.313 1.513 1.00 3.26 O ATOM 0 H GLY A 103 -15.766 -9.492 2.996 1.00 1.86 H new ATOM 0 HA2 GLY A 103 -17.327 -10.726 0.938 1.00 2.62 H new ATOM 0 HA3 GLY A 103 -17.841 -10.228 2.537 1.00 2.62 H new ATOM 1528 N LYS A 104 -17.452 -8.073 0.008 1.00 1.56 N ATOM 1529 CA LYS A 104 -17.824 -6.815 -0.632 1.00 1.53 C ATOM 1530 C LYS A 104 -16.679 -6.491 -1.591 1.00 1.75 C ATOM 1531 O LYS A 104 -15.554 -6.855 -1.277 1.00 3.15 O ATOM 1532 CB LYS A 104 -18.012 -5.683 0.394 1.00 1.74 C ATOM 1533 CG LYS A 104 -16.758 -5.465 1.254 1.00 3.08 C ATOM 1534 CD LYS A 104 -17.046 -4.648 2.520 1.00 3.52 C ATOM 1535 CE LYS A 104 -17.534 -3.228 2.197 1.00 3.78 C ATOM 1536 NZ LYS A 104 -17.740 -2.423 3.419 1.00 4.91 N ATOM 0 H LYS A 104 -16.628 -8.479 -0.434 1.00 1.56 H new ATOM 0 HA LYS A 104 -18.779 -6.908 -1.149 1.00 1.53 H new ATOM 0 HB2 LYS A 104 -18.257 -4.758 -0.129 1.00 1.74 H new ATOM 0 HB3 LYS A 104 -18.858 -5.918 1.041 1.00 1.74 H new ATOM 0 HG2 LYS A 104 -16.343 -6.432 1.537 1.00 3.08 H new ATOM 0 HG3 LYS A 104 -15.999 -4.954 0.661 1.00 3.08 H new ATOM 0 HD2 LYS A 104 -17.799 -5.162 3.118 1.00 3.52 H new ATOM 0 HD3 LYS A 104 -16.142 -4.590 3.126 1.00 3.52 H new ATOM 0 HE2 LYS A 104 -16.807 -2.732 1.554 1.00 3.78 H new ATOM 0 HE3 LYS A 104 -18.468 -3.284 1.638 1.00 3.78 H new ATOM 0 HZ1 LYS A 104 -18.069 -1.472 3.157 1.00 4.91 H new ATOM 0 HZ2 LYS A 104 -18.453 -2.882 4.021 1.00 4.91 H new ATOM 0 HZ3 LYS A 104 -16.843 -2.347 3.940 1.00 4.91 H new ATOM 1550 N ARG A 105 -16.941 -5.844 -2.735 1.00 1.46 N ATOM 1551 CA ARG A 105 -15.918 -5.521 -3.734 1.00 1.63 C ATOM 1552 C ARG A 105 -14.657 -4.898 -3.130 1.00 1.71 C ATOM 1553 O ARG A 105 -14.574 -3.675 -3.031 1.00 2.80 O ATOM 1554 CB ARG A 105 -16.455 -4.598 -4.840 1.00 1.91 C ATOM 1555 CG ARG A 105 -17.681 -5.159 -5.570 1.00 2.72 C ATOM 1556 CD ARG A 105 -17.747 -4.536 -6.973 1.00 3.59 C ATOM 1557 NE ARG A 105 -19.093 -4.615 -7.563 1.00 4.44 N ATOM 1558 CZ ARG A 105 -20.082 -3.741 -7.315 1.00 4.76 C ATOM 1559 NH1 ARG A 105 -19.903 -2.780 -6.402 1.00 4.63 N ATOM 1560 NH2 ARG A 105 -21.244 -3.833 -7.972 1.00 5.93 N ATOM 0 H ARG A 105 -17.876 -5.529 -2.993 1.00 1.46 H new ATOM 0 HA ARG A 105 -15.645 -6.482 -4.170 1.00 1.63 H new ATOM 0 HB2 ARG A 105 -16.714 -3.634 -4.402 1.00 1.91 H new ATOM 0 HB3 ARG A 105 -15.662 -4.416 -5.566 1.00 1.91 H new ATOM 0 HG2 ARG A 105 -17.614 -6.245 -5.641 1.00 2.72 H new ATOM 0 HG3 ARG A 105 -18.590 -4.932 -5.012 1.00 2.72 H new ATOM 0 HD2 ARG A 105 -17.439 -3.492 -6.918 1.00 3.59 H new ATOM 0 HD3 ARG A 105 -17.037 -5.044 -7.626 1.00 3.59 H new ATOM 0 HE ARG A 105 -19.288 -5.385 -8.203 1.00 4.44 H new ATOM 0 HH11 ARG A 105 -19.019 -2.714 -5.898 1.00 4.63 H new ATOM 0 HH12 ARG A 105 -20.651 -2.114 -6.210 1.00 4.63 H new ATOM 0 HH21 ARG A 105 -21.381 -4.569 -8.664 1.00 5.93 H new ATOM 0 HH22 ARG A 105 -21.992 -3.167 -7.780 1.00 5.93 H new ATOM 1574 N HIS A 106 -13.659 -5.721 -2.797 1.00 1.54 N ATOM 1575 CA HIS A 106 -12.284 -5.295 -2.678 1.00 1.73 C ATOM 1576 C HIS A 106 -12.121 -4.210 -1.626 1.00 1.71 C ATOM 1577 O HIS A 106 -11.756 -3.074 -1.917 1.00 2.91 O ATOM 1578 CB HIS A 106 -11.755 -4.939 -4.063 1.00 2.21 C ATOM 1579 CG HIS A 106 -10.265 -5.090 -4.161 1.00 3.33 C ATOM 1580 ND1 HIS A 106 -9.646 -6.030 -4.940 1.00 4.70 N ATOM 1581 CD2 HIS A 106 -9.329 -4.580 -3.301 1.00 4.13 C ATOM 1582 CE1 HIS A 106 -8.374 -6.114 -4.532 1.00 5.81 C ATOM 1583 NE2 HIS A 106 -8.114 -5.227 -3.554 1.00 5.49 N ATOM 0 H HIS A 106 -13.797 -6.713 -2.602 1.00 1.54 H new ATOM 0 HA HIS A 106 -11.663 -6.109 -2.305 1.00 1.73 H new ATOM 0 HB2 HIS A 106 -12.232 -5.577 -4.807 1.00 2.21 H new ATOM 0 HB3 HIS A 106 -12.030 -3.912 -4.301 1.00 2.21 H new ATOM 0 HD1 HIS A 106 -10.075 -6.568 -5.693 1.00 4.70 H new ATOM 0 HD2 HIS A 106 -9.499 -3.814 -2.559 1.00 4.13 H new ATOM 0 HE1 HIS A 106 -7.649 -6.805 -4.936 1.00 5.81 H new ATOM 1591 N ALA A 107 -12.364 -4.603 -0.379 1.00 1.08 N ATOM 1592 CA ALA A 107 -12.216 -3.730 0.766 1.00 1.52 C ATOM 1593 C ALA A 107 -10.780 -3.218 0.874 1.00 1.27 C ATOM 1594 O ALA A 107 -10.522 -2.056 0.576 1.00 1.49 O ATOM 1595 CB ALA A 107 -12.647 -4.480 2.023 1.00 2.41 C ATOM 0 H ALA A 107 -12.671 -5.546 -0.140 1.00 1.08 H new ATOM 0 HA ALA A 107 -12.855 -2.855 0.647 1.00 1.52 H new ATOM 0 HB1 ALA A 107 -12.538 -3.829 2.890 1.00 2.41 H new ATOM 0 HB2 ALA A 107 -13.689 -4.784 1.926 1.00 2.41 H new ATOM 0 HB3 ALA A 107 -12.022 -5.363 2.152 1.00 2.41 H new ATOM 1601 N VAL A 108 -9.848 -4.069 1.312 1.00 1.05 N ATOM 1602 CA VAL A 108 -8.462 -3.692 1.553 1.00 0.96 C ATOM 1603 C VAL A 108 -7.585 -4.924 1.737 1.00 0.83 C ATOM 1604 O VAL A 108 -8.073 -6.007 2.056 1.00 0.92 O ATOM 1605 CB VAL A 108 -8.284 -2.819 2.814 1.00 1.17 C ATOM 1606 CG1 VAL A 108 -8.642 -1.349 2.638 1.00 1.43 C ATOM 1607 CG2 VAL A 108 -8.982 -3.395 4.054 1.00 1.31 C ATOM 0 H VAL A 108 -10.042 -5.050 1.510 1.00 1.05 H new ATOM 0 HA VAL A 108 -8.165 -3.120 0.674 1.00 0.96 H new ATOM 0 HB VAL A 108 -7.207 -2.852 2.981 1.00 1.17 H new ATOM 0 HG11 VAL A 108 -8.484 -0.821 3.578 1.00 1.43 H new ATOM 0 HG12 VAL A 108 -8.011 -0.911 1.865 1.00 1.43 H new ATOM 0 HG13 VAL A 108 -9.688 -1.262 2.345 1.00 1.43 H new ATOM 0 HG21 VAL A 108 -8.818 -2.733 4.904 1.00 1.31 H new ATOM 0 HG22 VAL A 108 -10.052 -3.481 3.863 1.00 1.31 H new ATOM 0 HG23 VAL A 108 -8.573 -4.381 4.277 1.00 1.31 H new ATOM 1617 N ILE A 109 -6.276 -4.695 1.625 1.00 0.83 N ATOM 1618 CA ILE A 109 -5.235 -5.588 2.102 1.00 0.75 C ATOM 1619 C ILE A 109 -5.115 -5.444 3.625 1.00 0.75 C ATOM 1620 O ILE A 109 -5.598 -4.463 4.190 1.00 1.00 O ATOM 1621 CB ILE A 109 -3.913 -5.186 1.409 1.00 0.98 C ATOM 1622 CG1 ILE A 109 -3.953 -5.473 -0.091 1.00 1.54 C ATOM 1623 CG2 ILE A 109 -2.650 -5.787 2.037 1.00 2.17 C ATOM 1624 CD1 ILE A 109 -2.804 -4.748 -0.794 1.00 2.09 C ATOM 0 H ILE A 109 -5.906 -3.853 1.184 1.00 0.83 H new ATOM 0 HA ILE A 109 -5.467 -6.627 1.871 1.00 0.75 H new ATOM 0 HB ILE A 109 -3.839 -4.110 1.568 1.00 0.98 H new ATOM 0 HG12 ILE A 109 -3.878 -6.546 -0.266 1.00 1.54 H new ATOM 0 HG13 ILE A 109 -4.907 -5.148 -0.506 1.00 1.54 H new ATOM 0 HG21 ILE A 109 -1.773 -5.450 1.485 1.00 2.17 H new ATOM 0 HG22 ILE A 109 -2.571 -5.465 3.075 1.00 2.17 H new ATOM 0 HG23 ILE A 109 -2.707 -6.875 1.998 1.00 2.17 H new ATOM 0 HD11 ILE A 109 -2.841 -4.959 -1.863 1.00 2.09 H new ATOM 0 HD12 ILE A 109 -2.898 -3.674 -0.632 1.00 2.09 H new ATOM 0 HD13 ILE A 109 -1.853 -5.094 -0.389 1.00 2.09 H new ATOM 1636 N SER A 110 -4.445 -6.394 4.284 1.00 0.77 N ATOM 1637 CA SER A 110 -3.958 -6.246 5.652 1.00 0.89 C ATOM 1638 C SER A 110 -2.460 -6.585 5.668 1.00 0.78 C ATOM 1639 O SER A 110 -2.086 -7.738 5.868 1.00 1.04 O ATOM 1640 CB SER A 110 -4.786 -7.137 6.589 1.00 1.15 C ATOM 1641 OG SER A 110 -4.570 -6.780 7.942 1.00 1.71 O ATOM 0 H SER A 110 -4.224 -7.301 3.872 1.00 0.77 H new ATOM 0 HA SER A 110 -4.074 -5.223 6.011 1.00 0.89 H new ATOM 0 HB2 SER A 110 -5.845 -7.042 6.347 1.00 1.15 H new ATOM 0 HB3 SER A 110 -4.517 -8.182 6.436 1.00 1.15 H new ATOM 0 HG SER A 110 -5.108 -7.358 8.523 1.00 1.71 H new ATOM 1647 N GLY A 111 -1.613 -5.589 5.390 1.00 0.60 N ATOM 1648 CA GLY A 111 -0.161 -5.720 5.308 1.00 0.53 C ATOM 1649 C GLY A 111 0.557 -5.112 6.515 1.00 0.48 C ATOM 1650 O GLY A 111 -0.060 -4.533 7.413 1.00 0.88 O ATOM 0 H GLY A 111 -1.934 -4.638 5.210 1.00 0.60 H new ATOM 0 HA2 GLY A 111 0.100 -6.775 5.229 1.00 0.53 H new ATOM 0 HA3 GLY A 111 0.192 -5.235 4.398 1.00 0.53 H new ATOM 1654 N SER A 112 1.884 -5.254 6.554 1.00 0.60 N ATOM 1655 CA SER A 112 2.759 -4.635 7.541 1.00 0.55 C ATOM 1656 C SER A 112 4.094 -4.307 6.867 1.00 0.53 C ATOM 1657 O SER A 112 4.341 -4.774 5.748 1.00 0.72 O ATOM 1658 CB SER A 112 2.863 -5.510 8.794 1.00 0.93 C ATOM 1659 OG SER A 112 1.622 -5.476 9.482 1.00 2.02 O ATOM 0 H SER A 112 2.391 -5.822 5.876 1.00 0.60 H new ATOM 0 HA SER A 112 2.350 -3.692 7.903 1.00 0.55 H new ATOM 0 HB2 SER A 112 3.114 -6.534 8.519 1.00 0.93 H new ATOM 0 HB3 SER A 112 3.663 -5.149 9.441 1.00 0.93 H new ATOM 0 HG SER A 112 0.952 -5.025 8.926 1.00 2.02 H new ATOM 1665 N VAL A 113 4.841 -3.353 7.441 1.00 0.52 N ATOM 1666 CA VAL A 113 5.769 -2.535 6.667 1.00 0.47 C ATOM 1667 C VAL A 113 7.068 -2.276 7.432 1.00 0.60 C ATOM 1668 O VAL A 113 7.051 -2.094 8.649 1.00 0.82 O ATOM 1669 CB VAL A 113 5.078 -1.236 6.213 1.00 0.55 C ATOM 1670 CG1 VAL A 113 3.594 -1.441 5.877 1.00 0.84 C ATOM 1671 CG2 VAL A 113 5.101 -0.137 7.262 1.00 0.78 C ATOM 0 H VAL A 113 4.817 -3.134 8.437 1.00 0.52 H new ATOM 0 HA VAL A 113 6.056 -3.086 5.771 1.00 0.47 H new ATOM 0 HB VAL A 113 5.654 -0.945 5.335 1.00 0.55 H new ATOM 0 HG11 VAL A 113 3.158 -0.493 5.563 1.00 0.84 H new ATOM 0 HG12 VAL A 113 3.501 -2.168 5.070 1.00 0.84 H new ATOM 0 HG13 VAL A 113 3.069 -1.808 6.759 1.00 0.84 H new ATOM 0 HG21 VAL A 113 4.597 0.748 6.873 1.00 0.78 H new ATOM 0 HG22 VAL A 113 4.589 -0.481 8.161 1.00 0.78 H new ATOM 0 HG23 VAL A 113 6.134 0.112 7.506 1.00 0.78 H new ATOM 1681 N LEU A 114 8.187 -2.279 6.702 1.00 0.64 N ATOM 1682 CA LEU A 114 9.516 -2.594 7.202 1.00 0.81 C ATOM 1683 C LEU A 114 10.502 -1.479 6.871 1.00 1.06 C ATOM 1684 O LEU A 114 10.766 -1.184 5.707 1.00 1.18 O ATOM 1685 CB LEU A 114 9.903 -3.943 6.596 1.00 1.08 C ATOM 1686 CG LEU A 114 11.313 -4.497 6.802 1.00 1.05 C ATOM 1687 CD1 LEU A 114 12.236 -4.214 5.614 1.00 1.81 C ATOM 1688 CD2 LEU A 114 11.952 -4.171 8.141 1.00 2.60 C ATOM 0 H LEU A 114 8.185 -2.052 5.708 1.00 0.64 H new ATOM 0 HA LEU A 114 9.532 -2.668 8.289 1.00 0.81 H new ATOM 0 HB2 LEU A 114 9.204 -4.685 6.982 1.00 1.08 H new ATOM 0 HB3 LEU A 114 9.735 -3.876 5.521 1.00 1.08 H new ATOM 0 HG LEU A 114 11.169 -5.577 6.844 1.00 1.05 H new ATOM 0 HD11 LEU A 114 13.224 -4.629 5.814 1.00 1.81 H new ATOM 0 HD12 LEU A 114 11.824 -4.674 4.716 1.00 1.81 H new ATOM 0 HD13 LEU A 114 12.318 -3.137 5.466 1.00 1.81 H new ATOM 0 HD21 LEU A 114 12.949 -4.610 8.185 1.00 2.60 H new ATOM 0 HD22 LEU A 114 12.026 -3.090 8.255 1.00 2.60 H new ATOM 0 HD23 LEU A 114 11.340 -4.579 8.945 1.00 2.60 H new ATOM 1700 N TYR A 115 11.071 -0.889 7.921 1.00 1.28 N ATOM 1701 CA TYR A 115 11.994 0.245 7.872 1.00 1.53 C ATOM 1702 C TYR A 115 13.396 -0.251 7.533 1.00 1.59 C ATOM 1703 O TYR A 115 14.334 -0.071 8.313 1.00 1.77 O ATOM 1704 CB TYR A 115 12.018 0.935 9.248 1.00 1.84 C ATOM 1705 CG TYR A 115 10.941 1.963 9.476 1.00 1.77 C ATOM 1706 CD1 TYR A 115 9.624 1.577 9.787 1.00 3.05 C ATOM 1707 CD2 TYR A 115 11.305 3.321 9.508 1.00 2.22 C ATOM 1708 CE1 TYR A 115 8.675 2.555 10.129 1.00 4.20 C ATOM 1709 CE2 TYR A 115 10.366 4.288 9.871 1.00 3.10 C ATOM 1710 CZ TYR A 115 9.060 3.905 10.194 1.00 4.02 C ATOM 1711 OH TYR A 115 8.175 4.862 10.566 1.00 5.30 O ATOM 0 H TYR A 115 10.893 -1.203 8.875 1.00 1.28 H new ATOM 0 HA TYR A 115 11.665 0.951 7.109 1.00 1.53 H new ATOM 0 HB2 TYR A 115 11.935 0.170 10.020 1.00 1.84 H new ATOM 0 HB3 TYR A 115 12.988 1.415 9.377 1.00 1.84 H new ATOM 0 HD1 TYR A 115 9.344 0.534 9.763 1.00 3.05 H new ATOM 0 HD2 TYR A 115 12.312 3.616 9.252 1.00 2.22 H new ATOM 0 HE1 TYR A 115 7.655 2.271 10.341 1.00 4.20 H new ATOM 0 HE2 TYR A 115 10.647 5.330 9.902 1.00 3.10 H new ATOM 0 HH TYR A 115 8.649 5.707 10.711 1.00 5.30 H new ATOM 1721 N ASN A 116 13.543 -0.937 6.399 1.00 1.56 N ATOM 1722 CA ASN A 116 14.757 -1.661 6.018 1.00 1.72 C ATOM 1723 C ASN A 116 15.093 -2.836 6.965 1.00 1.42 C ATOM 1724 O ASN A 116 15.524 -3.883 6.495 1.00 1.52 O ATOM 1725 CB ASN A 116 15.931 -0.684 5.824 1.00 2.18 C ATOM 1726 CG ASN A 116 17.208 -1.381 5.366 1.00 2.98 C ATOM 1727 OD1 ASN A 116 17.192 -2.204 4.458 1.00 3.88 O ATOM 1728 ND2 ASN A 116 18.340 -1.044 5.981 1.00 3.62 N ATOM 0 H ASN A 116 12.802 -1.006 5.702 1.00 1.56 H new ATOM 0 HA ASN A 116 14.563 -2.136 5.056 1.00 1.72 H new ATOM 0 HB2 ASN A 116 15.652 0.072 5.090 1.00 2.18 H new ATOM 0 HB3 ASN A 116 16.123 -0.163 6.762 1.00 2.18 H new ATOM 0 HD21 ASN A 116 19.221 -1.474 5.699 1.00 3.62 H new ATOM 0 HD22 ASN A 116 18.326 -0.356 6.734 1.00 3.62 H new ATOM 1735 N GLN A 117 14.924 -2.681 8.288 1.00 1.24 N ATOM 1736 CA GLN A 117 15.390 -3.596 9.320 1.00 1.09 C ATOM 1737 C GLN A 117 14.315 -3.941 10.365 1.00 1.14 C ATOM 1738 O GLN A 117 14.417 -4.985 11.004 1.00 1.43 O ATOM 1739 CB GLN A 117 16.565 -2.939 10.063 1.00 1.02 C ATOM 1740 CG GLN A 117 17.650 -2.313 9.168 1.00 1.34 C ATOM 1741 CD GLN A 117 17.944 -0.867 9.569 1.00 1.44 C ATOM 1742 OE1 GLN A 117 19.040 -0.584 10.039 1.00 2.44 O ATOM 1743 NE2 GLN A 117 16.990 0.051 9.406 1.00 1.64 N ATOM 0 H GLN A 117 14.435 -1.874 8.676 1.00 1.24 H new ATOM 0 HA GLN A 117 15.673 -4.520 8.816 1.00 1.09 H new ATOM 0 HB2 GLN A 117 16.169 -2.164 10.719 1.00 1.02 H new ATOM 0 HB3 GLN A 117 17.033 -3.689 10.701 1.00 1.02 H new ATOM 0 HG2 GLN A 117 18.564 -2.903 9.236 1.00 1.34 H new ATOM 0 HG3 GLN A 117 17.327 -2.344 8.127 1.00 1.34 H new ATOM 0 HE21 GLN A 117 16.088 -0.216 9.012 1.00 1.64 H new ATOM 0 HE22 GLN A 117 17.163 1.019 9.675 1.00 1.64 H new ATOM 1752 N ALA A 118 13.330 -3.062 10.597 1.00 1.09 N ATOM 1753 CA ALA A 118 12.395 -3.162 11.717 1.00 1.12 C ATOM 1754 C ALA A 118 10.968 -2.908 11.232 1.00 0.90 C ATOM 1755 O ALA A 118 10.735 -1.942 10.510 1.00 1.14 O ATOM 1756 CB ALA A 118 12.785 -2.139 12.789 1.00 1.36 C ATOM 0 H ALA A 118 13.161 -2.252 10.001 1.00 1.09 H new ATOM 0 HA ALA A 118 12.439 -4.164 12.143 1.00 1.12 H new ATOM 0 HB1 ALA A 118 12.092 -2.208 13.627 1.00 1.36 H new ATOM 0 HB2 ALA A 118 13.797 -2.345 13.137 1.00 1.36 H new ATOM 0 HB3 ALA A 118 12.744 -1.135 12.366 1.00 1.36 H new ATOM 1762 N GLU A 119 10.021 -3.774 11.606 1.00 0.85 N ATOM 1763 CA GLU A 119 8.651 -3.730 11.112 1.00 0.96 C ATOM 1764 C GLU A 119 7.723 -3.090 12.149 1.00 1.01 C ATOM 1765 O GLU A 119 6.904 -3.776 12.759 1.00 1.62 O ATOM 1766 CB GLU A 119 8.219 -5.152 10.710 1.00 1.37 C ATOM 1767 CG GLU A 119 6.980 -5.129 9.803 1.00 1.78 C ATOM 1768 CD GLU A 119 6.482 -6.519 9.427 1.00 2.50 C ATOM 1769 OE1 GLU A 119 5.596 -6.566 8.548 1.00 3.50 O ATOM 1770 OE2 GLU A 119 6.983 -7.496 10.023 1.00 3.04 O ATOM 0 H GLU A 119 10.191 -4.531 12.268 1.00 0.85 H new ATOM 0 HA GLU A 119 8.588 -3.100 10.225 1.00 0.96 H new ATOM 0 HB2 GLU A 119 9.040 -5.650 10.194 1.00 1.37 H new ATOM 0 HB3 GLU A 119 8.005 -5.735 11.606 1.00 1.37 H new ATOM 0 HG2 GLU A 119 6.179 -4.588 10.307 1.00 1.78 H new ATOM 0 HG3 GLU A 119 7.215 -4.576 8.893 1.00 1.78 H new ATOM 1777 N LYS A 120 7.831 -1.772 12.375 1.00 0.74 N ATOM 1778 CA LYS A 120 6.944 -1.040 13.264 1.00 0.94 C ATOM 1779 C LYS A 120 6.060 -0.176 12.392 1.00 0.94 C ATOM 1780 O LYS A 120 6.017 1.049 12.480 1.00 1.33 O ATOM 1781 CB LYS A 120 7.737 -0.280 14.328 1.00 1.48 C ATOM 1782 CG LYS A 120 8.566 -1.242 15.183 1.00 2.18 C ATOM 1783 CD LYS A 120 7.766 -2.416 15.741 1.00 2.32 C ATOM 1784 CE LYS A 120 6.642 -2.009 16.704 1.00 2.75 C ATOM 1785 NZ LYS A 120 5.972 -3.194 17.283 1.00 3.29 N ATOM 0 H LYS A 120 8.545 -1.189 11.938 1.00 0.74 H new ATOM 0 HA LYS A 120 6.303 -1.705 13.843 1.00 0.94 H new ATOM 0 HB2 LYS A 120 8.394 0.445 13.848 1.00 1.48 H new ATOM 0 HB3 LYS A 120 7.053 0.282 14.965 1.00 1.48 H new ATOM 0 HG2 LYS A 120 9.390 -1.628 14.583 1.00 2.18 H new ATOM 0 HG3 LYS A 120 9.007 -0.688 16.012 1.00 2.18 H new ATOM 0 HD2 LYS A 120 7.334 -2.974 14.911 1.00 2.32 H new ATOM 0 HD3 LYS A 120 8.447 -3.092 16.259 1.00 2.32 H new ATOM 0 HE2 LYS A 120 7.052 -1.393 17.505 1.00 2.75 H new ATOM 0 HE3 LYS A 120 5.911 -1.398 16.175 1.00 2.75 H new ATOM 0 HZ1 LYS A 120 5.218 -2.885 17.929 1.00 3.29 H new ATOM 0 HZ2 LYS A 120 5.560 -3.768 16.519 1.00 3.29 H new ATOM 0 HZ3 LYS A 120 6.666 -3.763 17.808 1.00 3.29 H new ATOM 1799 N GLY A 121 5.336 -0.879 11.534 1.00 0.65 N ATOM 1800 CA GLY A 121 4.224 -0.294 10.823 1.00 0.63 C ATOM 1801 C GLY A 121 3.254 -1.352 10.306 1.00 0.45 C ATOM 1802 O GLY A 121 3.668 -2.464 9.977 1.00 0.55 O ATOM 0 H GLY A 121 5.505 -1.861 11.317 1.00 0.65 H new ATOM 0 HA2 GLY A 121 3.693 0.393 11.482 1.00 0.63 H new ATOM 0 HA3 GLY A 121 4.599 0.294 9.985 1.00 0.63 H new ATOM 1806 N SER A 122 1.973 -0.987 10.225 1.00 0.48 N ATOM 1807 CA SER A 122 0.887 -1.800 9.690 1.00 0.49 C ATOM 1808 C SER A 122 0.246 -1.042 8.529 1.00 0.45 C ATOM 1809 O SER A 122 0.375 0.180 8.475 1.00 0.61 O ATOM 1810 CB SER A 122 -0.110 -2.106 10.807 1.00 0.66 C ATOM 1811 OG SER A 122 -0.469 -0.924 11.507 1.00 0.82 O ATOM 0 H SER A 122 1.653 -0.073 10.546 1.00 0.48 H new ATOM 0 HA SER A 122 1.253 -2.755 9.312 1.00 0.49 H new ATOM 0 HB2 SER A 122 -1.003 -2.569 10.386 1.00 0.66 H new ATOM 0 HB3 SER A 122 0.325 -2.826 11.501 1.00 0.66 H new ATOM 0 HG SER A 122 -0.521 -0.174 10.878 1.00 0.82 H new ATOM 1817 N TYR A 123 -0.433 -1.721 7.599 1.00 0.54 N ATOM 1818 CA TYR A 123 -0.963 -1.058 6.413 1.00 0.64 C ATOM 1819 C TYR A 123 -2.166 -1.803 5.850 1.00 0.67 C ATOM 1820 O TYR A 123 -2.266 -3.020 5.986 1.00 0.70 O ATOM 1821 CB TYR A 123 0.171 -0.930 5.385 1.00 0.95 C ATOM 1822 CG TYR A 123 -0.221 -0.744 3.931 1.00 0.64 C ATOM 1823 CD1 TYR A 123 -0.467 0.546 3.432 1.00 1.78 C ATOM 1824 CD2 TYR A 123 -0.147 -1.831 3.038 1.00 1.68 C ATOM 1825 CE1 TYR A 123 -0.436 0.782 2.048 1.00 2.31 C ATOM 1826 CE2 TYR A 123 -0.189 -1.603 1.652 1.00 1.72 C ATOM 1827 CZ TYR A 123 -0.241 -0.290 1.160 1.00 1.65 C ATOM 1828 OH TYR A 123 -0.099 -0.057 -0.173 1.00 2.27 O ATOM 0 H TYR A 123 -0.625 -2.722 7.647 1.00 0.54 H new ATOM 0 HA TYR A 123 -1.324 -0.063 6.674 1.00 0.64 H new ATOM 0 HB2 TYR A 123 0.795 -0.085 5.676 1.00 0.95 H new ATOM 0 HB3 TYR A 123 0.791 -1.824 5.455 1.00 0.95 H new ATOM 0 HD1 TYR A 123 -0.680 1.357 4.113 1.00 1.78 H new ATOM 0 HD2 TYR A 123 -0.058 -2.838 3.418 1.00 1.68 H new ATOM 0 HE1 TYR A 123 -0.562 1.785 1.667 1.00 2.31 H new ATOM 0 HE2 TYR A 123 -0.181 -2.437 0.966 1.00 1.72 H new ATOM 0 HH TYR A 123 0.029 -0.908 -0.642 1.00 2.27 H new ATOM 1838 N SER A 124 -3.078 -1.077 5.205 1.00 0.78 N ATOM 1839 CA SER A 124 -4.254 -1.649 4.579 1.00 0.96 C ATOM 1840 C SER A 124 -4.620 -0.801 3.368 1.00 0.81 C ATOM 1841 O SER A 124 -4.742 0.416 3.513 1.00 0.79 O ATOM 1842 CB SER A 124 -5.396 -1.688 5.599 1.00 1.21 C ATOM 1843 OG SER A 124 -5.547 -0.414 6.198 1.00 1.50 O ATOM 0 H SER A 124 -3.014 -0.064 5.105 1.00 0.78 H new ATOM 0 HA SER A 124 -4.061 -2.669 4.246 1.00 0.96 H new ATOM 0 HB2 SER A 124 -6.324 -1.982 5.109 1.00 1.21 H new ATOM 0 HB3 SER A 124 -5.188 -2.437 6.363 1.00 1.21 H new ATOM 0 HG SER A 124 -5.218 0.277 5.586 1.00 1.50 H new ATOM 1849 N LEU A 125 -4.760 -1.431 2.196 1.00 0.81 N ATOM 1850 CA LEU A 125 -4.910 -0.738 0.916 1.00 0.73 C ATOM 1851 C LEU A 125 -5.885 -1.449 -0.029 1.00 0.90 C ATOM 1852 O LEU A 125 -5.795 -2.659 -0.262 1.00 1.20 O ATOM 1853 CB LEU A 125 -3.519 -0.558 0.308 1.00 0.68 C ATOM 1854 CG LEU A 125 -3.430 0.139 -1.058 1.00 0.68 C ATOM 1855 CD1 LEU A 125 -3.721 -0.771 -2.253 1.00 0.90 C ATOM 1856 CD2 LEU A 125 -4.169 1.467 -1.144 1.00 0.67 C ATOM 0 H LEU A 125 -4.772 -2.447 2.111 1.00 0.81 H new ATOM 0 HA LEU A 125 -5.359 0.241 1.083 1.00 0.73 H new ATOM 0 HB2 LEU A 125 -2.913 0.008 1.015 1.00 0.68 H new ATOM 0 HB3 LEU A 125 -3.062 -1.543 0.214 1.00 0.68 H new ATOM 0 HG LEU A 125 -2.373 0.393 -1.133 1.00 0.68 H new ATOM 0 HD11 LEU A 125 -3.636 -0.198 -3.176 1.00 0.90 H new ATOM 0 HD12 LEU A 125 -3.004 -1.592 -2.268 1.00 0.90 H new ATOM 0 HD13 LEU A 125 -4.731 -1.173 -2.167 1.00 0.90 H new ATOM 0 HD21 LEU A 125 -4.051 1.885 -2.144 1.00 0.67 H new ATOM 0 HD22 LEU A 125 -5.228 1.308 -0.940 1.00 0.67 H new ATOM 0 HD23 LEU A 125 -3.758 2.160 -0.410 1.00 0.67 H new ATOM 1868 N GLY A 126 -6.809 -0.673 -0.597 1.00 0.78 N ATOM 1869 CA GLY A 126 -7.970 -1.107 -1.372 1.00 0.77 C ATOM 1870 C GLY A 126 -7.966 -0.435 -2.742 1.00 0.76 C ATOM 1871 O GLY A 126 -7.480 0.687 -2.852 1.00 1.08 O ATOM 0 H GLY A 126 -6.762 0.343 -0.522 1.00 0.78 H new ATOM 0 HA2 GLY A 126 -7.954 -2.191 -1.490 1.00 0.77 H new ATOM 0 HA3 GLY A 126 -8.887 -0.858 -0.838 1.00 0.77 H new ATOM 1875 N ILE A 127 -8.460 -1.132 -3.775 1.00 0.86 N ATOM 1876 CA ILE A 127 -8.598 -0.585 -5.135 1.00 0.81 C ATOM 1877 C ILE A 127 -10.054 -0.242 -5.363 1.00 0.73 C ATOM 1878 O ILE A 127 -10.919 -0.985 -4.905 1.00 0.97 O ATOM 1879 CB ILE A 127 -8.073 -1.536 -6.242 1.00 1.23 C ATOM 1880 CG1 ILE A 127 -8.529 -1.153 -7.665 1.00 1.47 C ATOM 1881 CG2 ILE A 127 -8.387 -3.004 -5.991 1.00 1.66 C ATOM 1882 CD1 ILE A 127 -9.878 -1.727 -8.134 1.00 2.50 C ATOM 0 H ILE A 127 -8.778 -2.098 -3.691 1.00 0.86 H new ATOM 0 HA ILE A 127 -7.975 0.306 -5.205 1.00 0.81 H new ATOM 0 HB ILE A 127 -6.993 -1.404 -6.186 1.00 1.23 H new ATOM 0 HG12 ILE A 127 -8.582 -0.066 -7.725 1.00 1.47 H new ATOM 0 HG13 ILE A 127 -7.760 -1.474 -8.367 1.00 1.47 H new ATOM 0 HG21 ILE A 127 -7.988 -3.606 -6.807 1.00 1.66 H new ATOM 0 HG22 ILE A 127 -7.931 -3.318 -5.052 1.00 1.66 H new ATOM 0 HG23 ILE A 127 -9.467 -3.140 -5.933 1.00 1.66 H new ATOM 0 HD11 ILE A 127 -10.086 -1.386 -9.148 1.00 2.50 H new ATOM 0 HD12 ILE A 127 -9.835 -2.816 -8.119 1.00 2.50 H new ATOM 0 HD13 ILE A 127 -10.670 -1.386 -7.467 1.00 2.50 H new ATOM 1894 N PHE A 128 -10.311 0.848 -6.096 1.00 0.65 N ATOM 1895 CA PHE A 128 -11.662 1.270 -6.407 1.00 0.69 C ATOM 1896 C PHE A 128 -11.771 1.825 -7.823 1.00 1.13 C ATOM 1897 O PHE A 128 -10.776 2.042 -8.520 1.00 1.48 O ATOM 1898 CB PHE A 128 -12.117 2.296 -5.357 1.00 1.65 C ATOM 1899 CG PHE A 128 -11.989 1.801 -3.928 1.00 3.09 C ATOM 1900 CD1 PHE A 128 -12.881 0.818 -3.459 1.00 4.25 C ATOM 1901 CD2 PHE A 128 -10.844 2.121 -3.172 1.00 4.57 C ATOM 1902 CE1 PHE A 128 -12.635 0.165 -2.240 1.00 6.09 C ATOM 1903 CE2 PHE A 128 -10.616 1.489 -1.937 1.00 6.50 C ATOM 1904 CZ PHE A 128 -11.517 0.518 -1.467 1.00 7.07 C ATOM 0 H PHE A 128 -9.586 1.452 -6.483 1.00 0.65 H new ATOM 0 HA PHE A 128 -12.323 0.404 -6.371 1.00 0.69 H new ATOM 0 HB2 PHE A 128 -11.528 3.206 -5.471 1.00 1.65 H new ATOM 0 HB3 PHE A 128 -13.156 2.563 -5.548 1.00 1.65 H new ATOM 0 HD1 PHE A 128 -13.757 0.565 -4.038 1.00 4.25 H new ATOM 0 HD2 PHE A 128 -10.141 2.853 -3.542 1.00 4.57 H new ATOM 0 HE1 PHE A 128 -13.306 -0.609 -1.897 1.00 6.09 H new ATOM 0 HE2 PHE A 128 -9.748 1.750 -1.349 1.00 6.50 H new ATOM 0 HZ PHE A 128 -11.350 0.043 -0.511 1.00 7.07 H new ATOM 1914 N GLY A 129 -13.023 2.014 -8.247 1.00 1.88 N ATOM 1915 CA GLY A 129 -13.374 2.552 -9.551 1.00 2.84 C ATOM 1916 C GLY A 129 -13.764 1.440 -10.527 1.00 2.07 C ATOM 1917 O GLY A 129 -14.377 1.710 -11.557 1.00 2.77 O ATOM 0 H GLY A 129 -13.836 1.790 -7.674 1.00 1.88 H new ATOM 0 HA2 GLY A 129 -14.202 3.253 -9.446 1.00 2.84 H new ATOM 0 HA3 GLY A 129 -12.531 3.113 -9.954 1.00 2.84 H new ATOM 1921 N GLY A 130 -13.385 0.193 -10.238 1.00 1.19 N ATOM 1922 CA GLY A 130 -13.962 -0.977 -10.897 1.00 1.49 C ATOM 1923 C GLY A 130 -13.325 -1.253 -12.258 1.00 1.61 C ATOM 1924 O GLY A 130 -13.901 -1.948 -13.099 1.00 2.52 O ATOM 0 H GLY A 130 -12.673 -0.032 -9.544 1.00 1.19 H new ATOM 0 HA2 GLY A 130 -13.836 -1.850 -10.257 1.00 1.49 H new ATOM 0 HA3 GLY A 130 -15.034 -0.827 -11.025 1.00 1.49 H new ATOM 1928 N LYS A 131 -12.125 -0.710 -12.466 1.00 1.28 N ATOM 1929 CA LYS A 131 -11.161 -1.147 -13.461 1.00 1.36 C ATOM 1930 C LYS A 131 -9.796 -0.569 -13.080 1.00 1.27 C ATOM 1931 O LYS A 131 -9.116 -0.016 -13.937 1.00 1.63 O ATOM 1932 CB LYS A 131 -11.608 -0.808 -14.899 1.00 1.68 C ATOM 1933 CG LYS A 131 -11.975 0.665 -15.150 1.00 1.85 C ATOM 1934 CD LYS A 131 -12.319 0.846 -16.638 1.00 2.27 C ATOM 1935 CE LYS A 131 -12.922 2.217 -16.994 1.00 3.00 C ATOM 1936 NZ LYS A 131 -11.990 3.342 -16.774 1.00 3.12 N ATOM 0 H LYS A 131 -11.789 0.082 -11.918 1.00 1.28 H new ATOM 0 HA LYS A 131 -11.087 -2.234 -13.464 1.00 1.36 H new ATOM 0 HB2 LYS A 131 -10.808 -1.087 -15.585 1.00 1.68 H new ATOM 0 HB3 LYS A 131 -12.470 -1.426 -15.148 1.00 1.68 H new ATOM 0 HG2 LYS A 131 -12.823 0.953 -14.529 1.00 1.85 H new ATOM 0 HG3 LYS A 131 -11.143 1.313 -14.874 1.00 1.85 H new ATOM 0 HD2 LYS A 131 -11.414 0.698 -17.227 1.00 2.27 H new ATOM 0 HD3 LYS A 131 -13.022 0.067 -16.932 1.00 2.27 H new ATOM 0 HE2 LYS A 131 -13.231 2.210 -18.039 1.00 3.00 H new ATOM 0 HE3 LYS A 131 -13.820 2.377 -16.397 1.00 3.00 H new ATOM 0 HZ1 LYS A 131 -12.348 4.189 -17.259 1.00 3.12 H new ATOM 0 HZ2 LYS A 131 -11.912 3.534 -15.755 1.00 3.12 H new ATOM 0 HZ3 LYS A 131 -11.053 3.096 -17.153 1.00 3.12 H new ATOM 1950 N ALA A 132 -9.439 -0.676 -11.788 1.00 1.08 N ATOM 1951 CA ALA A 132 -8.199 -0.188 -11.193 1.00 1.08 C ATOM 1952 C ALA A 132 -7.845 1.212 -11.671 1.00 1.20 C ATOM 1953 O ALA A 132 -7.123 1.372 -12.651 1.00 1.71 O ATOM 1954 CB ALA A 132 -7.054 -1.156 -11.464 1.00 1.22 C ATOM 0 H ALA A 132 -10.043 -1.129 -11.103 1.00 1.08 H new ATOM 0 HA ALA A 132 -8.360 -0.129 -10.117 1.00 1.08 H new ATOM 0 HB1 ALA A 132 -6.139 -0.773 -11.012 1.00 1.22 H new ATOM 0 HB2 ALA A 132 -7.291 -2.129 -11.035 1.00 1.22 H new ATOM 0 HB3 ALA A 132 -6.911 -1.259 -12.540 1.00 1.22 H new ATOM 1960 N GLN A 133 -8.348 2.224 -10.963 1.00 0.92 N ATOM 1961 CA GLN A 133 -8.125 3.614 -11.314 1.00 0.98 C ATOM 1962 C GLN A 133 -7.364 4.260 -10.169 1.00 0.98 C ATOM 1963 O GLN A 133 -6.233 4.721 -10.350 1.00 1.25 O ATOM 1964 CB GLN A 133 -9.461 4.281 -11.653 1.00 1.06 C ATOM 1965 CG GLN A 133 -9.847 3.839 -13.078 1.00 1.67 C ATOM 1966 CD GLN A 133 -11.329 3.565 -13.258 1.00 1.58 C ATOM 1967 OE1 GLN A 133 -11.954 4.061 -14.190 1.00 2.00 O ATOM 1968 NE2 GLN A 133 -11.879 2.688 -12.432 1.00 2.32 N ATOM 0 H GLN A 133 -8.922 2.095 -10.130 1.00 0.92 H new ATOM 0 HA GLN A 133 -7.516 3.727 -12.211 1.00 0.98 H new ATOM 0 HB2 GLN A 133 -10.229 3.987 -10.938 1.00 1.06 H new ATOM 0 HB3 GLN A 133 -9.373 5.366 -11.598 1.00 1.06 H new ATOM 0 HG2 GLN A 133 -9.543 4.613 -13.783 1.00 1.67 H new ATOM 0 HG3 GLN A 133 -9.288 2.939 -13.332 1.00 1.67 H new ATOM 0 HE21 GLN A 133 -11.331 2.295 -11.667 1.00 2.32 H new ATOM 0 HE22 GLN A 133 -12.851 2.406 -12.561 1.00 2.32 H new ATOM 1977 N GLU A 134 -7.988 4.212 -8.993 1.00 0.85 N ATOM 1978 CA GLU A 134 -7.506 4.771 -7.752 1.00 0.85 C ATOM 1979 C GLU A 134 -7.395 3.651 -6.721 1.00 0.80 C ATOM 1980 O GLU A 134 -8.170 2.689 -6.767 1.00 1.21 O ATOM 1981 CB GLU A 134 -8.483 5.871 -7.306 1.00 1.03 C ATOM 1982 CG GLU A 134 -8.901 6.737 -8.508 1.00 1.19 C ATOM 1983 CD GLU A 134 -9.334 8.141 -8.132 1.00 1.67 C ATOM 1984 OE1 GLU A 134 -9.499 8.448 -6.930 1.00 1.98 O ATOM 1985 OE2 GLU A 134 -9.368 8.995 -9.045 1.00 2.72 O ATOM 0 H GLU A 134 -8.893 3.754 -8.886 1.00 0.85 H new ATOM 0 HA GLU A 134 -6.519 5.217 -7.869 1.00 0.85 H new ATOM 0 HB2 GLU A 134 -9.365 5.420 -6.850 1.00 1.03 H new ATOM 0 HB3 GLU A 134 -8.015 6.495 -6.545 1.00 1.03 H new ATOM 0 HG2 GLU A 134 -8.066 6.799 -9.206 1.00 1.19 H new ATOM 0 HG3 GLU A 134 -9.719 6.243 -9.032 1.00 1.19 H new ATOM 1992 N VAL A 135 -6.441 3.781 -5.795 1.00 0.58 N ATOM 1993 CA VAL A 135 -6.376 2.951 -4.601 1.00 0.55 C ATOM 1994 C VAL A 135 -6.387 3.877 -3.387 1.00 0.67 C ATOM 1995 O VAL A 135 -5.799 4.959 -3.426 1.00 1.13 O ATOM 1996 CB VAL A 135 -5.197 1.947 -4.598 1.00 0.56 C ATOM 1997 CG1 VAL A 135 -5.364 0.833 -5.630 1.00 0.84 C ATOM 1998 CG2 VAL A 135 -3.798 2.537 -4.762 1.00 0.82 C ATOM 0 H VAL A 135 -5.691 4.470 -5.858 1.00 0.58 H new ATOM 0 HA VAL A 135 -7.250 2.300 -4.572 1.00 0.55 H new ATOM 0 HB VAL A 135 -5.256 1.552 -3.584 1.00 0.56 H new ATOM 0 HG11 VAL A 135 -4.508 0.160 -5.581 1.00 0.84 H new ATOM 0 HG12 VAL A 135 -6.276 0.275 -5.419 1.00 0.84 H new ATOM 0 HG13 VAL A 135 -5.428 1.268 -6.628 1.00 0.84 H new ATOM 0 HG21 VAL A 135 -3.060 1.735 -4.744 1.00 0.82 H new ATOM 0 HG22 VAL A 135 -3.735 3.066 -5.713 1.00 0.82 H new ATOM 0 HG23 VAL A 135 -3.598 3.232 -3.946 1.00 0.82 H new ATOM 2008 N ALA A 136 -7.097 3.461 -2.337 1.00 0.58 N ATOM 2009 CA ALA A 136 -7.252 4.204 -1.096 1.00 0.68 C ATOM 2010 C ALA A 136 -6.921 3.254 0.049 1.00 0.68 C ATOM 2011 O ALA A 136 -7.264 2.070 -0.007 1.00 0.72 O ATOM 2012 CB ALA A 136 -8.671 4.765 -0.979 1.00 0.82 C ATOM 0 H ALA A 136 -7.593 2.570 -2.332 1.00 0.58 H new ATOM 0 HA ALA A 136 -6.578 5.061 -1.068 1.00 0.68 H new ATOM 0 HB1 ALA A 136 -8.768 5.318 -0.044 1.00 0.82 H new ATOM 0 HB2 ALA A 136 -8.869 5.433 -1.818 1.00 0.82 H new ATOM 0 HB3 ALA A 136 -9.389 3.945 -0.992 1.00 0.82 H new ATOM 2018 N GLY A 137 -6.169 3.746 1.030 1.00 0.71 N ATOM 2019 CA GLY A 137 -5.588 2.928 2.074 1.00 0.74 C ATOM 2020 C GLY A 137 -5.267 3.770 3.292 1.00 0.80 C ATOM 2021 O GLY A 137 -5.499 4.980 3.316 1.00 0.95 O ATOM 0 H GLY A 137 -5.947 4.738 1.117 1.00 0.71 H new ATOM 0 HA2 GLY A 137 -6.280 2.132 2.347 1.00 0.74 H new ATOM 0 HA3 GLY A 137 -4.680 2.449 1.706 1.00 0.74 H new ATOM 2025 N SER A 138 -4.711 3.128 4.312 1.00 0.79 N ATOM 2026 CA SER A 138 -3.927 3.825 5.310 1.00 0.77 C ATOM 2027 C SER A 138 -2.728 2.949 5.652 1.00 0.68 C ATOM 2028 O SER A 138 -2.850 1.724 5.682 1.00 0.80 O ATOM 2029 CB SER A 138 -4.794 4.140 6.530 1.00 0.96 C ATOM 2030 OG SER A 138 -5.921 4.899 6.129 1.00 1.55 O ATOM 0 H SER A 138 -4.792 2.123 4.465 1.00 0.79 H new ATOM 0 HA SER A 138 -3.565 4.782 4.935 1.00 0.77 H new ATOM 0 HB2 SER A 138 -5.117 3.215 7.008 1.00 0.96 H new ATOM 0 HB3 SER A 138 -4.214 4.694 7.268 1.00 0.96 H new ATOM 0 HG SER A 138 -5.836 5.136 5.182 1.00 1.55 H new ATOM 2036 N ALA A 139 -1.575 3.579 5.884 1.00 0.65 N ATOM 2037 CA ALA A 139 -0.468 2.980 6.601 1.00 0.63 C ATOM 2038 C ALA A 139 -0.431 3.645 7.963 1.00 0.60 C ATOM 2039 O ALA A 139 -0.598 4.858 8.035 1.00 0.70 O ATOM 2040 CB ALA A 139 0.863 3.229 5.888 1.00 0.68 C ATOM 0 H ALA A 139 -1.390 4.532 5.571 1.00 0.65 H new ATOM 0 HA ALA A 139 -0.606 1.901 6.668 1.00 0.63 H new ATOM 0 HB1 ALA A 139 1.671 2.766 6.454 1.00 0.68 H new ATOM 0 HB2 ALA A 139 0.826 2.797 4.888 1.00 0.68 H new ATOM 0 HB3 ALA A 139 1.041 4.302 5.814 1.00 0.68 H new ATOM 2046 N GLU A 140 -0.161 2.865 9.007 1.00 0.59 N ATOM 2047 CA GLU A 140 0.511 3.378 10.183 1.00 0.69 C ATOM 2048 C GLU A 140 1.946 2.927 10.080 1.00 0.86 C ATOM 2049 O GLU A 140 2.237 1.760 10.321 1.00 1.11 O ATOM 2050 CB GLU A 140 -0.049 2.830 11.490 1.00 0.97 C ATOM 2051 CG GLU A 140 -1.345 3.526 11.862 1.00 1.88 C ATOM 2052 CD GLU A 140 -1.796 3.121 13.259 1.00 1.90 C ATOM 2053 OE1 GLU A 140 -1.366 2.036 13.710 1.00 2.21 O ATOM 2054 OE2 GLU A 140 -2.466 3.951 13.912 1.00 2.93 O ATOM 0 H GLU A 140 -0.400 1.875 9.056 1.00 0.59 H new ATOM 0 HA GLU A 140 0.382 4.460 10.207 1.00 0.69 H new ATOM 0 HB2 GLU A 140 -0.222 1.758 11.394 1.00 0.97 H new ATOM 0 HB3 GLU A 140 0.682 2.965 12.287 1.00 0.97 H new ATOM 0 HG2 GLU A 140 -1.208 4.606 11.818 1.00 1.88 H new ATOM 0 HG3 GLU A 140 -2.119 3.273 11.138 1.00 1.88 H new ATOM 2061 N VAL A 141 2.830 3.868 9.805 1.00 0.94 N ATOM 2062 CA VAL A 141 4.231 3.702 10.144 1.00 0.90 C ATOM 2063 C VAL A 141 4.368 4.349 11.517 1.00 0.84 C ATOM 2064 O VAL A 141 4.034 5.520 11.664 1.00 1.15 O ATOM 2065 CB VAL A 141 5.141 4.275 9.050 1.00 1.01 C ATOM 2066 CG1 VAL A 141 4.922 3.529 7.734 1.00 2.00 C ATOM 2067 CG2 VAL A 141 4.991 5.779 8.813 1.00 2.41 C ATOM 0 H VAL A 141 2.604 4.752 9.349 1.00 0.94 H new ATOM 0 HA VAL A 141 4.553 2.662 10.196 1.00 0.90 H new ATOM 0 HB VAL A 141 6.156 4.127 9.418 1.00 1.01 H new ATOM 0 HG11 VAL A 141 5.574 3.946 6.967 1.00 2.00 H new ATOM 0 HG12 VAL A 141 5.153 2.473 7.872 1.00 2.00 H new ATOM 0 HG13 VAL A 141 3.882 3.636 7.424 1.00 2.00 H new ATOM 0 HG21 VAL A 141 5.673 6.093 8.023 1.00 2.41 H new ATOM 0 HG22 VAL A 141 3.966 6.000 8.516 1.00 2.41 H new ATOM 0 HG23 VAL A 141 5.227 6.317 9.731 1.00 2.41 H new ATOM 2077 N LYS A 142 4.711 3.573 12.547 1.00 0.86 N ATOM 2078 CA LYS A 142 4.585 4.000 13.933 1.00 1.29 C ATOM 2079 C LYS A 142 5.929 3.778 14.609 1.00 1.42 C ATOM 2080 O LYS A 142 6.295 2.657 14.956 1.00 1.54 O ATOM 2081 CB LYS A 142 3.407 3.268 14.596 1.00 1.80 C ATOM 2082 CG LYS A 142 3.681 1.794 14.921 1.00 1.89 C ATOM 2083 CD LYS A 142 2.364 1.023 15.114 1.00 2.37 C ATOM 2084 CE LYS A 142 1.828 0.498 13.771 1.00 4.25 C ATOM 2085 NZ LYS A 142 0.402 0.115 13.833 1.00 4.98 N ATOM 0 H LYS A 142 5.084 2.630 12.438 1.00 0.86 H new ATOM 0 HA LYS A 142 4.349 5.060 14.021 1.00 1.29 H new ATOM 0 HB2 LYS A 142 3.144 3.788 15.517 1.00 1.80 H new ATOM 0 HB3 LYS A 142 2.541 3.328 13.937 1.00 1.80 H new ATOM 0 HG2 LYS A 142 4.258 1.341 14.115 1.00 1.89 H new ATOM 0 HG3 LYS A 142 4.285 1.723 15.825 1.00 1.89 H new ATOM 0 HD2 LYS A 142 2.524 0.188 15.796 1.00 2.37 H new ATOM 0 HD3 LYS A 142 1.622 1.674 15.576 1.00 2.37 H new ATOM 0 HE2 LYS A 142 1.961 1.265 13.008 1.00 4.25 H new ATOM 0 HE3 LYS A 142 2.418 -0.365 13.462 1.00 4.25 H new ATOM 0 HZ1 LYS A 142 0.139 -0.386 12.960 1.00 4.98 H new ATOM 0 HZ2 LYS A 142 0.245 -0.509 14.650 1.00 4.98 H new ATOM 0 HZ3 LYS A 142 -0.183 0.969 13.932 1.00 4.98 H new ATOM 2099 N THR A 143 6.734 4.824 14.720 1.00 1.57 N ATOM 2100 CA THR A 143 8.117 4.649 15.136 1.00 1.67 C ATOM 2101 C THR A 143 8.548 5.973 15.758 1.00 1.68 C ATOM 2102 O THR A 143 7.871 6.984 15.568 1.00 1.54 O ATOM 2103 CB THR A 143 8.976 4.220 13.924 1.00 1.75 C ATOM 2104 OG1 THR A 143 8.388 3.122 13.257 1.00 2.99 O ATOM 2105 CG2 THR A 143 10.403 3.789 14.284 1.00 2.24 C ATOM 0 H THR A 143 6.460 5.788 14.531 1.00 1.57 H new ATOM 0 HA THR A 143 8.242 3.856 15.874 1.00 1.67 H new ATOM 0 HB THR A 143 9.023 5.112 13.300 1.00 1.75 H new ATOM 0 HG1 THR A 143 8.568 3.189 12.296 1.00 2.99 H new ATOM 0 HG21 THR A 143 10.937 3.504 13.377 1.00 2.24 H new ATOM 0 HG22 THR A 143 10.923 4.617 14.766 1.00 2.24 H new ATOM 0 HG23 THR A 143 10.365 2.939 14.965 1.00 2.24 H new ATOM 2113 N VAL A 144 9.708 5.988 16.422 1.00 1.88 N ATOM 2114 CA VAL A 144 10.421 7.217 16.769 1.00 1.84 C ATOM 2115 C VAL A 144 10.461 8.169 15.564 1.00 1.54 C ATOM 2116 O VAL A 144 10.486 9.386 15.731 1.00 1.49 O ATOM 2117 CB VAL A 144 11.841 6.864 17.259 1.00 2.07 C ATOM 2118 CG1 VAL A 144 12.657 8.119 17.599 1.00 2.33 C ATOM 2119 CG2 VAL A 144 11.785 5.975 18.511 1.00 2.79 C ATOM 0 H VAL A 144 10.180 5.140 16.735 1.00 1.88 H new ATOM 0 HA VAL A 144 9.896 7.731 17.574 1.00 1.84 H new ATOM 0 HB VAL A 144 12.325 6.331 16.440 1.00 2.07 H new ATOM 0 HG11 VAL A 144 13.650 7.826 17.940 1.00 2.33 H new ATOM 0 HG12 VAL A 144 12.748 8.745 16.712 1.00 2.33 H new ATOM 0 HG13 VAL A 144 12.153 8.678 18.387 1.00 2.33 H new ATOM 0 HG21 VAL A 144 12.799 5.740 18.836 1.00 2.79 H new ATOM 0 HG22 VAL A 144 11.261 6.502 19.308 1.00 2.79 H new ATOM 0 HG23 VAL A 144 11.256 5.051 18.278 1.00 2.79 H new ATOM 2129 N ASN A 145 10.436 7.609 14.349 1.00 1.48 N ATOM 2130 CA ASN A 145 10.306 8.349 13.104 1.00 1.33 C ATOM 2131 C ASN A 145 9.215 7.686 12.266 1.00 1.39 C ATOM 2132 O ASN A 145 9.442 7.275 11.129 1.00 1.70 O ATOM 2133 CB ASN A 145 11.655 8.411 12.384 1.00 1.77 C ATOM 2134 CG ASN A 145 12.370 7.072 12.449 1.00 2.83 C ATOM 2135 OD1 ASN A 145 11.796 6.018 12.200 1.00 4.84 O ATOM 2136 ND2 ASN A 145 13.617 7.091 12.892 1.00 2.04 N ATOM 0 H ASN A 145 10.508 6.601 14.209 1.00 1.48 H new ATOM 0 HA ASN A 145 10.012 9.382 13.291 1.00 1.33 H new ATOM 0 HB2 ASN A 145 11.503 8.696 11.343 1.00 1.77 H new ATOM 0 HB3 ASN A 145 12.278 9.182 12.837 1.00 1.77 H new ATOM 0 HD21 ASN A 145 14.121 6.216 13.033 1.00 2.04 H new ATOM 0 HD22 ASN A 145 14.074 7.981 13.092 1.00 2.04 H new ATOM 2143 N GLY A 146 8.006 7.579 12.826 1.00 1.30 N ATOM 2144 CA GLY A 146 6.875 6.982 12.139 1.00 1.43 C ATOM 2145 C GLY A 146 5.640 7.851 12.261 1.00 1.23 C ATOM 2146 O GLY A 146 4.988 7.917 13.303 1.00 1.38 O ATOM 0 H GLY A 146 7.792 7.906 13.768 1.00 1.30 H new ATOM 0 HA2 GLY A 146 7.120 6.839 11.087 1.00 1.43 H new ATOM 0 HA3 GLY A 146 6.672 5.996 12.556 1.00 1.43 H new ATOM 2150 N ILE A 147 5.325 8.499 11.144 1.00 1.03 N ATOM 2151 CA ILE A 147 4.195 9.366 10.978 1.00 1.00 C ATOM 2152 C ILE A 147 2.947 8.511 10.765 1.00 1.02 C ATOM 2153 O ILE A 147 2.472 8.376 9.642 1.00 1.57 O ATOM 2154 CB ILE A 147 4.468 10.311 9.777 1.00 0.98 C ATOM 2155 CG1 ILE A 147 5.051 9.586 8.544 1.00 1.25 C ATOM 2156 CG2 ILE A 147 5.332 11.497 10.217 1.00 1.45 C ATOM 2157 CD1 ILE A 147 6.580 9.596 8.405 1.00 1.16 C ATOM 0 H ILE A 147 5.887 8.421 10.297 1.00 1.03 H new ATOM 0 HA ILE A 147 4.032 9.982 11.862 1.00 1.00 H new ATOM 0 HB ILE A 147 3.503 10.694 9.446 1.00 0.98 H new ATOM 0 HG12 ILE A 147 4.717 8.549 8.568 1.00 1.25 H new ATOM 0 HG13 ILE A 147 4.624 10.038 7.649 1.00 1.25 H new ATOM 0 HG21 ILE A 147 5.515 12.150 9.364 1.00 1.45 H new ATOM 0 HG22 ILE A 147 4.814 12.055 10.997 1.00 1.45 H new ATOM 0 HG23 ILE A 147 6.283 11.131 10.604 1.00 1.45 H new ATOM 0 HD11 ILE A 147 6.867 9.056 7.502 1.00 1.16 H new ATOM 0 HD12 ILE A 147 6.933 10.625 8.340 1.00 1.16 H new ATOM 0 HD13 ILE A 147 7.027 9.113 9.274 1.00 1.16 H new ATOM 2169 N ARG A 148 2.414 7.946 11.854 1.00 0.83 N ATOM 2170 CA ARG A 148 1.203 7.123 11.848 1.00 0.91 C ATOM 2171 C ARG A 148 0.165 7.624 10.845 1.00 0.91 C ATOM 2172 O ARG A 148 -0.361 6.859 10.045 1.00 1.38 O ATOM 2173 CB ARG A 148 0.546 7.111 13.231 1.00 1.10 C ATOM 2174 CG ARG A 148 1.114 6.038 14.162 1.00 1.29 C ATOM 2175 CD ARG A 148 0.347 5.992 15.496 1.00 1.52 C ATOM 2176 NE ARG A 148 -1.097 5.767 15.281 1.00 1.62 N ATOM 2177 CZ ARG A 148 -2.046 6.704 15.124 1.00 1.76 C ATOM 2178 NH1 ARG A 148 -1.817 7.982 15.437 1.00 2.19 N ATOM 2179 NH2 ARG A 148 -3.214 6.347 14.589 1.00 2.49 N ATOM 0 H ARG A 148 2.822 8.051 12.783 1.00 0.83 H new ATOM 0 HA ARG A 148 1.523 6.121 11.563 1.00 0.91 H new ATOM 0 HB2 ARG A 148 0.674 8.089 13.695 1.00 1.10 H new ATOM 0 HB3 ARG A 148 -0.526 6.951 13.115 1.00 1.10 H new ATOM 0 HG2 ARG A 148 1.059 5.065 13.675 1.00 1.29 H new ATOM 0 HG3 ARG A 148 2.168 6.240 14.353 1.00 1.29 H new ATOM 0 HD2 ARG A 148 0.751 5.197 16.122 1.00 1.52 H new ATOM 0 HD3 ARG A 148 0.495 6.928 16.035 1.00 1.52 H new ATOM 0 HE ARG A 148 -1.406 4.796 15.248 1.00 1.62 H new ATOM 0 HH11 ARG A 148 -0.907 8.262 15.803 1.00 2.19 H new ATOM 0 HH12 ARG A 148 -2.552 8.678 15.310 1.00 2.19 H new ATOM 0 HH21 ARG A 148 -3.372 5.379 14.309 1.00 2.49 H new ATOM 0 HH22 ARG A 148 -3.950 7.042 14.460 1.00 2.49 H new ATOM 2193 N HIS A 149 -0.166 8.911 10.920 1.00 0.70 N ATOM 2194 CA HIS A 149 -1.131 9.507 10.018 1.00 0.91 C ATOM 2195 C HIS A 149 -0.479 9.712 8.644 1.00 0.84 C ATOM 2196 O HIS A 149 -0.118 10.836 8.294 1.00 0.96 O ATOM 2197 CB HIS A 149 -1.664 10.804 10.643 1.00 1.08 C ATOM 2198 CG HIS A 149 -2.287 10.639 12.014 1.00 1.24 C ATOM 2199 ND1 HIS A 149 -2.449 11.643 12.941 1.00 2.61 N ATOM 2200 CD2 HIS A 149 -2.744 9.478 12.584 1.00 1.04 C ATOM 2201 CE1 HIS A 149 -2.983 11.095 14.047 1.00 2.38 C ATOM 2202 NE2 HIS A 149 -3.166 9.772 13.888 1.00 1.14 N ATOM 0 H HIS A 149 0.226 9.559 11.603 1.00 0.70 H new ATOM 0 HA HIS A 149 -1.989 8.853 9.863 1.00 0.91 H new ATOM 0 HB2 HIS A 149 -0.845 11.519 10.715 1.00 1.08 H new ATOM 0 HB3 HIS A 149 -2.406 11.236 9.972 1.00 1.08 H new ATOM 0 HD1 HIS A 149 -2.208 12.626 12.812 1.00 2.61 H new ATOM 0 HD2 HIS A 149 -2.774 8.508 12.111 1.00 1.04 H new ATOM 0 HE1 HIS A 149 -3.232 11.644 14.943 1.00 2.38 H new ATOM 2210 N ILE A 150 -0.337 8.630 7.872 1.00 0.77 N ATOM 2211 CA ILE A 150 -0.003 8.692 6.453 1.00 0.74 C ATOM 2212 C ILE A 150 -1.298 8.784 5.642 1.00 0.95 C ATOM 2213 O ILE A 150 -2.209 7.975 5.819 1.00 1.33 O ATOM 2214 CB ILE A 150 0.893 7.503 6.028 1.00 0.79 C ATOM 2215 CG1 ILE A 150 2.367 7.936 6.133 1.00 1.11 C ATOM 2216 CG2 ILE A 150 0.603 7.006 4.601 1.00 1.42 C ATOM 2217 CD1 ILE A 150 3.367 6.811 5.854 1.00 1.21 C ATOM 0 H ILE A 150 -0.453 7.679 8.222 1.00 0.77 H new ATOM 0 HA ILE A 150 0.588 9.586 6.253 1.00 0.74 H new ATOM 0 HB ILE A 150 0.675 6.671 6.698 1.00 0.79 H new ATOM 0 HG12 ILE A 150 2.547 8.750 5.431 1.00 1.11 H new ATOM 0 HG13 ILE A 150 2.549 8.331 7.133 1.00 1.11 H new ATOM 0 HG21 ILE A 150 1.264 6.172 4.365 1.00 1.42 H new ATOM 0 HG22 ILE A 150 -0.434 6.677 4.534 1.00 1.42 H new ATOM 0 HG23 ILE A 150 0.773 7.816 3.892 1.00 1.42 H new ATOM 0 HD11 ILE A 150 4.383 7.195 5.948 1.00 1.21 H new ATOM 0 HD12 ILE A 150 3.217 6.004 6.572 1.00 1.21 H new ATOM 0 HD13 ILE A 150 3.215 6.431 4.844 1.00 1.21 H new ATOM 2229 N GLY A 151 -1.355 9.744 4.719 1.00 0.85 N ATOM 2230 CA GLY A 151 -2.360 9.814 3.680 1.00 1.02 C ATOM 2231 C GLY A 151 -1.911 8.943 2.511 1.00 0.71 C ATOM 2232 O GLY A 151 -1.019 9.324 1.751 1.00 0.80 O ATOM 0 H GLY A 151 -0.682 10.510 4.680 1.00 0.85 H new ATOM 0 HA2 GLY A 151 -3.322 9.471 4.060 1.00 1.02 H new ATOM 0 HA3 GLY A 151 -2.496 10.845 3.354 1.00 1.02 H new ATOM 2236 N LEU A 152 -2.517 7.761 2.374 1.00 0.64 N ATOM 2237 CA LEU A 152 -2.325 6.906 1.215 1.00 0.71 C ATOM 2238 C LEU A 152 -3.317 7.354 0.139 1.00 0.66 C ATOM 2239 O LEU A 152 -4.505 7.045 0.232 1.00 0.71 O ATOM 2240 CB LEU A 152 -2.523 5.443 1.623 1.00 1.13 C ATOM 2241 CG LEU A 152 -1.993 4.402 0.625 1.00 0.73 C ATOM 2242 CD1 LEU A 152 -2.591 4.532 -0.780 1.00 0.76 C ATOM 2243 CD2 LEU A 152 -0.464 4.422 0.537 1.00 0.74 C ATOM 0 H LEU A 152 -3.155 7.375 3.070 1.00 0.64 H new ATOM 0 HA LEU A 152 -1.315 6.988 0.814 1.00 0.71 H new ATOM 0 HB2 LEU A 152 -2.034 5.282 2.584 1.00 1.13 H new ATOM 0 HB3 LEU A 152 -3.588 5.267 1.774 1.00 1.13 H new ATOM 0 HG LEU A 152 -2.319 3.442 1.027 1.00 0.73 H new ATOM 0 HD11 LEU A 152 -2.169 3.764 -1.428 1.00 0.76 H new ATOM 0 HD12 LEU A 152 -3.673 4.408 -0.728 1.00 0.76 H new ATOM 0 HD13 LEU A 152 -2.357 5.517 -1.185 1.00 0.76 H new ATOM 0 HD21 LEU A 152 -0.131 3.671 -0.179 1.00 0.74 H new ATOM 0 HD22 LEU A 152 -0.131 5.407 0.211 1.00 0.74 H new ATOM 0 HD23 LEU A 152 -0.040 4.202 1.517 1.00 0.74 H new ATOM 2255 N ALA A 153 -2.838 8.086 -0.869 1.00 0.77 N ATOM 2256 CA ALA A 153 -3.654 8.612 -1.957 1.00 1.00 C ATOM 2257 C ALA A 153 -3.038 8.204 -3.293 1.00 0.90 C ATOM 2258 O ALA A 153 -1.910 8.608 -3.590 1.00 1.11 O ATOM 2259 CB ALA A 153 -3.735 10.136 -1.832 1.00 1.31 C ATOM 0 H ALA A 153 -1.852 8.333 -0.950 1.00 0.77 H new ATOM 0 HA ALA A 153 -4.664 8.205 -1.905 1.00 1.00 H new ATOM 0 HB1 ALA A 153 -4.344 10.536 -2.643 1.00 1.31 H new ATOM 0 HB2 ALA A 153 -4.186 10.399 -0.875 1.00 1.31 H new ATOM 0 HB3 ALA A 153 -2.732 10.560 -1.889 1.00 1.31 H new ATOM 2265 N ALA A 154 -3.766 7.414 -4.094 1.00 0.86 N ATOM 2266 CA ALA A 154 -3.349 7.002 -5.427 1.00 0.78 C ATOM 2267 C ALA A 154 -4.457 7.234 -6.439 1.00 0.84 C ATOM 2268 O ALA A 154 -5.608 6.907 -6.167 1.00 1.01 O ATOM 2269 CB ALA A 154 -3.046 5.512 -5.435 1.00 0.96 C ATOM 0 H ALA A 154 -4.676 7.041 -3.822 1.00 0.86 H new ATOM 0 HA ALA A 154 -2.469 7.589 -5.690 1.00 0.78 H new ATOM 0 HB1 ALA A 154 -2.735 5.209 -6.435 1.00 0.96 H new ATOM 0 HB2 ALA A 154 -2.246 5.300 -4.726 1.00 0.96 H new ATOM 0 HB3 ALA A 154 -3.940 4.957 -5.150 1.00 0.96 H new ATOM 2275 N LYS A 155 -4.084 7.744 -7.611 1.00 1.02 N ATOM 2276 CA LYS A 155 -4.899 7.784 -8.810 1.00 1.05 C ATOM 2277 C LYS A 155 -3.924 7.911 -9.976 1.00 1.38 C ATOM 2278 O LYS A 155 -2.983 8.698 -9.884 1.00 2.01 O ATOM 2279 CB LYS A 155 -5.948 8.909 -8.744 1.00 1.75 C ATOM 2280 CG LYS A 155 -5.323 10.282 -8.477 1.00 1.93 C ATOM 2281 CD LYS A 155 -6.354 11.408 -8.293 1.00 2.40 C ATOM 2282 CE LYS A 155 -7.243 11.197 -7.053 1.00 3.81 C ATOM 2283 NZ LYS A 155 -8.629 10.830 -7.411 1.00 4.12 N ATOM 0 H LYS A 155 -3.162 8.158 -7.751 1.00 1.02 H new ATOM 0 HA LYS A 155 -5.496 6.880 -8.931 1.00 1.05 H new ATOM 0 HB2 LYS A 155 -6.500 8.942 -9.683 1.00 1.75 H new ATOM 0 HB3 LYS A 155 -6.669 8.683 -7.958 1.00 1.75 H new ATOM 0 HG2 LYS A 155 -4.702 10.221 -7.583 1.00 1.93 H new ATOM 0 HG3 LYS A 155 -4.663 10.538 -9.306 1.00 1.93 H new ATOM 0 HD2 LYS A 155 -5.834 12.362 -8.205 1.00 2.40 H new ATOM 0 HD3 LYS A 155 -6.983 11.469 -9.181 1.00 2.40 H new ATOM 0 HE2 LYS A 155 -6.812 10.414 -6.429 1.00 3.81 H new ATOM 0 HE3 LYS A 155 -7.254 12.110 -6.457 1.00 3.81 H new ATOM 0 HZ1 LYS A 155 -8.957 10.064 -6.789 1.00 4.12 H new ATOM 0 HZ2 LYS A 155 -9.248 11.658 -7.297 1.00 4.12 H new ATOM 0 HZ3 LYS A 155 -8.659 10.510 -8.400 1.00 4.12 H new ATOM 2297 N GLN A 156 -4.089 7.094 -11.015 1.00 1.30 N ATOM 2298 CA GLN A 156 -3.241 7.162 -12.191 1.00 1.92 C ATOM 2299 C GLN A 156 -3.277 8.542 -12.841 1.00 2.94 C ATOM 2300 O GLN A 156 -2.180 8.984 -13.250 1.00 3.84 O ATOM 2301 CB GLN A 156 -3.676 6.072 -13.162 1.00 2.17 C ATOM 2302 CG GLN A 156 -3.298 4.745 -12.513 1.00 2.39 C ATOM 2303 CD GLN A 156 -4.028 3.579 -13.141 1.00 2.99 C ATOM 2304 OE1 GLN A 156 -3.643 3.077 -14.190 1.00 4.34 O ATOM 2305 NE2 GLN A 156 -5.089 3.151 -12.476 1.00 2.81 N ATOM 0 H GLN A 156 -4.810 6.374 -11.060 1.00 1.30 H new ATOM 0 HA GLN A 156 -2.204 6.997 -11.897 1.00 1.92 H new ATOM 0 HB2 GLN A 156 -4.749 6.122 -13.348 1.00 2.17 H new ATOM 0 HB3 GLN A 156 -3.180 6.189 -14.125 1.00 2.17 H new ATOM 0 HG2 GLN A 156 -2.223 4.591 -12.603 1.00 2.39 H new ATOM 0 HG3 GLN A 156 -3.526 4.784 -11.448 1.00 2.39 H new ATOM 0 HE21 GLN A 156 -5.364 3.607 -11.606 1.00 2.81 H new ATOM 0 HE22 GLN A 156 -5.632 2.365 -12.833 1.00 2.81 H new