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 115 TYR OH : rot 3:sc= 1.8 USER MOD Set 1.2: A 143 THR OG1 : rot -174:sc= 1.54 USER MOD Set 1.3: A 145 ASN : amide:sc= 0.822 K(o=4.2,f=3.1) USER MOD Set 2.1: A 79 ASN : amide:sc= -1.19 K(o=-0.16,f=-8.7!) USER MOD Set 2.2: A 123 TYR OH : rot 28:sc= 1.04 USER MOD Set 3.1: A 66 LYS NZ :NH3+ 142:sc= 0.91 (180deg=-0.758) USER MOD Set 3.2: A 68 THR OG1 : rot 77:sc= 1.7 USER MOD Set 4.1: A 53 TYR OH : rot -155:sc= 0.884 USER MOD Set 4.2: A 76 LYS NZ :NH3+ -147:sc= 1.95 (180deg=1.02) USER MOD Single : A 39 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.012) USER MOD Single : A 40 THR OG1 : rot -67:sc= 1.46 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 40:sc= 1.85 USER MOD Single : A 77 GLN :FLIP amide:sc= -0.0688 F(o=-1.5,f=-0.069) USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= 0.363 (180deg=-2.08!) USER MOD Single : A 84 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.16) USER MOD Single : A 86 LYS NZ :NH3+ -153:sc= 0.749 (180deg=-1.07!) USER MOD Single : A 87 SER OG : rot -118:sc= 0.00123 USER MOD Single : A 91 ASN : amide:sc= 1.74 K(o=1.7,f=-6.8!) USER MOD Single : A 100 LYS NZ :NH3+ 143:sc= 1.15 (180deg=0.828) USER MOD Single : A 104 LYS NZ :NH3+ -129:sc= 1.82 (180deg=-2.66!) USER MOD Single : A 106 HIS : no HE2:sc= 0.739 K(o=0.74,f=-4.1!) USER MOD Single : A 110 SER OG : rot -58:sc= 0.38 USER MOD Single : A 112 SER OG : rot 151:sc= 1.27 USER MOD Single : A 116 ASN : amide:sc= 0.838 K(o=0.84,f=-2.3!) USER MOD Single : A 117 GLN :FLIP amide:sc= -1.13 F(o=-1.8,f=-1.1) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -42:sc= 0.207 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 GLN :FLIP amide:sc= -0.586 F(o=-1.5,f=-0.59) USER MOD Single : A 138 SER OG : rot 13:sc= 0.74 USER MOD Single : A 142 LYS NZ :NH3+ 159:sc= 0.94 (180deg=0.302) USER MOD Single : A 149 HIS : no HE2:sc= 0.769 K(o=0.77,f=-8.8!) USER MOD Single : A 155 LYS NZ :NH3+ 171:sc= -0.761! (180deg=-0.787!) USER MOD Single : A 156 GLN : amide:sc= -0.0845 K(o=-0.085,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 560 N GLY A 37 -8.934 -13.568 -2.656 1.00 2.50 N ATOM 561 CA GLY A 37 -8.824 -12.442 -3.573 1.00 2.04 C ATOM 562 C GLY A 37 -10.217 -12.112 -4.085 1.00 1.85 C ATOM 563 O GLY A 37 -10.685 -10.970 -4.009 1.00 2.32 O ATOM 0 HA2 GLY A 37 -8.390 -11.580 -3.067 1.00 2.04 H new ATOM 0 HA3 GLY A 37 -8.162 -12.690 -4.403 1.00 2.04 H new ATOM 567 N GLU A 38 -10.853 -13.158 -4.603 1.00 1.68 N ATOM 568 CA GLU A 38 -12.253 -13.295 -4.948 1.00 1.61 C ATOM 569 C GLU A 38 -12.898 -12.003 -5.435 1.00 1.29 C ATOM 570 O GLU A 38 -12.926 -11.747 -6.632 1.00 1.21 O ATOM 571 CB GLU A 38 -13.034 -13.908 -3.778 1.00 1.94 C ATOM 572 CG GLU A 38 -12.413 -15.231 -3.303 1.00 2.59 C ATOM 573 CD GLU A 38 -12.133 -15.193 -1.813 1.00 3.88 C ATOM 574 OE1 GLU A 38 -11.245 -14.396 -1.430 1.00 5.11 O ATOM 575 OE2 GLU A 38 -12.840 -15.932 -1.095 1.00 4.20 O ATOM 0 H GLU A 38 -10.342 -14.016 -4.811 1.00 1.68 H new ATOM 0 HA GLU A 38 -12.296 -13.974 -5.800 1.00 1.61 H new ATOM 0 HB2 GLU A 38 -13.059 -13.201 -2.949 1.00 1.94 H new ATOM 0 HB3 GLU A 38 -14.067 -14.080 -4.082 1.00 1.94 H new ATOM 0 HG2 GLU A 38 -13.088 -16.056 -3.529 1.00 2.59 H new ATOM 0 HG3 GLU A 38 -11.487 -15.419 -3.846 1.00 2.59 H new ATOM 582 N HIS A 39 -13.450 -11.201 -4.521 1.00 1.27 N ATOM 583 CA HIS A 39 -14.355 -10.116 -4.839 1.00 1.26 C ATOM 584 C HIS A 39 -13.640 -9.008 -5.610 1.00 1.12 C ATOM 585 O HIS A 39 -14.299 -8.215 -6.273 1.00 1.40 O ATOM 586 CB HIS A 39 -15.019 -9.610 -3.554 1.00 1.60 C ATOM 587 CG HIS A 39 -15.645 -10.725 -2.748 1.00 2.43 C ATOM 588 ND1 HIS A 39 -16.850 -11.346 -2.996 1.00 3.07 N ATOM 589 CD2 HIS A 39 -15.045 -11.390 -1.711 1.00 3.80 C ATOM 590 CE1 HIS A 39 -16.976 -12.352 -2.113 1.00 3.91 C ATOM 591 NE2 HIS A 39 -15.901 -12.416 -1.309 1.00 4.48 N ATOM 0 H HIS A 39 -13.271 -11.297 -3.522 1.00 1.27 H new ATOM 0 HA HIS A 39 -15.142 -10.481 -5.499 1.00 1.26 H new ATOM 0 HB2 HIS A 39 -14.276 -9.097 -2.943 1.00 1.60 H new ATOM 0 HB3 HIS A 39 -15.784 -8.876 -3.809 1.00 1.60 H new ATOM 0 HD2 HIS A 39 -14.081 -11.161 -1.281 1.00 3.80 H new ATOM 0 HE1 HIS A 39 -17.825 -13.017 -2.057 1.00 3.91 H new ATOM 0 HE2 HIS A 39 -15.742 -13.083 -0.554 1.00 4.48 H new ATOM 599 N THR A 40 -12.303 -8.970 -5.556 1.00 1.03 N ATOM 600 CA THR A 40 -11.532 -8.163 -6.486 1.00 1.19 C ATOM 601 C THR A 40 -11.620 -8.801 -7.881 1.00 1.14 C ATOM 602 O THR A 40 -12.398 -8.378 -8.734 1.00 1.81 O ATOM 603 CB THR A 40 -10.080 -8.030 -5.992 1.00 1.50 C ATOM 604 OG1 THR A 40 -9.472 -9.290 -5.774 1.00 2.17 O ATOM 605 CG2 THR A 40 -10.005 -7.242 -4.686 1.00 2.55 C ATOM 0 H THR A 40 -11.743 -9.488 -4.879 1.00 1.03 H new ATOM 0 HA THR A 40 -11.938 -7.153 -6.547 1.00 1.19 H new ATOM 0 HB THR A 40 -9.547 -7.502 -6.782 1.00 1.50 H new ATOM 0 HG1 THR A 40 -9.911 -9.739 -5.022 1.00 2.17 H new ATOM 0 HG21 THR A 40 -8.966 -7.167 -4.365 1.00 2.55 H new ATOM 0 HG22 THR A 40 -10.410 -6.242 -4.841 1.00 2.55 H new ATOM 0 HG23 THR A 40 -10.585 -7.754 -3.918 1.00 2.55 H new ATOM 613 N SER A 41 -10.805 -9.839 -8.080 1.00 0.88 N ATOM 614 CA SER A 41 -10.588 -10.596 -9.306 1.00 0.86 C ATOM 615 C SER A 41 -11.892 -10.832 -10.086 1.00 1.06 C ATOM 616 O SER A 41 -11.954 -10.606 -11.294 1.00 1.37 O ATOM 617 CB SER A 41 -9.889 -11.908 -8.924 1.00 1.12 C ATOM 618 OG SER A 41 -9.370 -12.573 -10.058 1.00 1.93 O ATOM 0 H SER A 41 -10.231 -10.200 -7.318 1.00 0.88 H new ATOM 0 HA SER A 41 -9.956 -10.026 -9.987 1.00 0.86 H new ATOM 0 HB2 SER A 41 -9.081 -11.699 -8.223 1.00 1.12 H new ATOM 0 HB3 SER A 41 -10.595 -12.561 -8.411 1.00 1.12 H new ATOM 0 HG SER A 41 -8.931 -13.403 -9.778 1.00 1.93 H new ATOM 624 N PHE A 42 -12.923 -11.255 -9.354 1.00 1.14 N ATOM 625 CA PHE A 42 -14.325 -11.354 -9.735 1.00 1.40 C ATOM 626 C PHE A 42 -14.753 -10.326 -10.776 1.00 1.63 C ATOM 627 O PHE A 42 -15.181 -10.697 -11.864 1.00 2.07 O ATOM 628 CB PHE A 42 -15.151 -11.142 -8.458 1.00 1.53 C ATOM 629 CG PHE A 42 -16.618 -10.785 -8.609 1.00 1.65 C ATOM 630 CD1 PHE A 42 -17.442 -11.472 -9.519 1.00 2.44 C ATOM 631 CD2 PHE A 42 -17.165 -9.765 -7.808 1.00 2.33 C ATOM 632 CE1 PHE A 42 -18.817 -11.190 -9.574 1.00 2.65 C ATOM 633 CE2 PHE A 42 -18.540 -9.493 -7.855 1.00 2.48 C ATOM 634 CZ PHE A 42 -19.372 -10.215 -8.728 1.00 2.12 C ATOM 0 H PHE A 42 -12.781 -11.564 -8.392 1.00 1.14 H new ATOM 0 HA PHE A 42 -14.485 -12.331 -10.190 1.00 1.40 H new ATOM 0 HB2 PHE A 42 -15.089 -12.054 -7.865 1.00 1.53 H new ATOM 0 HB3 PHE A 42 -14.673 -10.352 -7.879 1.00 1.53 H new ATOM 0 HD1 PHE A 42 -17.017 -12.217 -10.176 1.00 2.44 H new ATOM 0 HD2 PHE A 42 -16.524 -9.190 -7.156 1.00 2.33 H new ATOM 0 HE1 PHE A 42 -19.449 -11.724 -10.268 1.00 2.65 H new ATOM 0 HE2 PHE A 42 -18.960 -8.728 -7.219 1.00 2.48 H new ATOM 0 HZ PHE A 42 -20.434 -10.021 -8.748 1.00 2.12 H new ATOM 644 N ASP A 43 -14.749 -9.051 -10.379 1.00 1.60 N ATOM 645 CA ASP A 43 -15.635 -8.061 -10.972 1.00 2.14 C ATOM 646 C ASP A 43 -15.243 -7.822 -12.431 1.00 2.13 C ATOM 647 O ASP A 43 -15.911 -8.302 -13.344 1.00 3.14 O ATOM 648 CB ASP A 43 -15.660 -6.812 -10.073 1.00 2.45 C ATOM 649 CG ASP A 43 -15.983 -5.534 -10.827 1.00 2.81 C ATOM 650 OD1 ASP A 43 -17.179 -5.308 -11.101 1.00 3.70 O ATOM 651 OD2 ASP A 43 -15.006 -4.829 -11.162 1.00 2.98 O ATOM 0 H ASP A 43 -14.139 -8.685 -9.648 1.00 1.60 H new ATOM 0 HA ASP A 43 -16.667 -8.410 -11.018 1.00 2.14 H new ATOM 0 HB2 ASP A 43 -16.398 -6.956 -9.284 1.00 2.45 H new ATOM 0 HB3 ASP A 43 -14.690 -6.703 -9.587 1.00 2.45 H new ATOM 656 N LYS A 44 -14.152 -7.086 -12.647 1.00 1.40 N ATOM 657 CA LYS A 44 -13.595 -6.778 -13.963 1.00 1.42 C ATOM 658 C LYS A 44 -12.342 -5.907 -13.811 1.00 1.78 C ATOM 659 O LYS A 44 -12.142 -4.950 -14.556 1.00 2.22 O ATOM 660 CB LYS A 44 -14.644 -6.149 -14.906 1.00 1.73 C ATOM 661 CG LYS A 44 -15.502 -5.072 -14.221 1.00 2.29 C ATOM 662 CD LYS A 44 -16.537 -4.438 -15.154 1.00 2.57 C ATOM 663 CE LYS A 44 -15.887 -3.571 -16.239 1.00 3.35 C ATOM 664 NZ LYS A 44 -16.907 -2.895 -17.066 1.00 4.47 N ATOM 0 H LYS A 44 -13.614 -6.674 -11.884 1.00 1.40 H new ATOM 0 HA LYS A 44 -13.298 -7.713 -14.438 1.00 1.42 H new ATOM 0 HB2 LYS A 44 -14.135 -5.709 -15.764 1.00 1.73 H new ATOM 0 HB3 LYS A 44 -15.295 -6.934 -15.290 1.00 1.73 H new ATOM 0 HG2 LYS A 44 -16.016 -5.515 -13.368 1.00 2.29 H new ATOM 0 HG3 LYS A 44 -14.849 -4.292 -13.830 1.00 2.29 H new ATOM 0 HD2 LYS A 44 -17.128 -5.223 -15.625 1.00 2.57 H new ATOM 0 HD3 LYS A 44 -17.226 -3.829 -14.569 1.00 2.57 H new ATOM 0 HE2 LYS A 44 -15.240 -2.827 -15.774 1.00 3.35 H new ATOM 0 HE3 LYS A 44 -15.254 -4.192 -16.873 1.00 3.35 H new ATOM 0 HZ1 LYS A 44 -16.438 -2.316 -17.791 1.00 4.47 H new ATOM 0 HZ2 LYS A 44 -17.508 -3.608 -17.527 1.00 4.47 H new ATOM 0 HZ3 LYS A 44 -17.495 -2.285 -16.463 1.00 4.47 H new ATOM 678 N LEU A 45 -11.488 -6.259 -12.846 1.00 1.87 N ATOM 679 CA LEU A 45 -10.277 -5.513 -12.513 1.00 2.53 C ATOM 680 C LEU A 45 -8.966 -6.165 -12.974 1.00 2.98 C ATOM 681 O LEU A 45 -8.047 -5.427 -13.326 1.00 4.83 O ATOM 682 CB LEU A 45 -10.212 -5.251 -11.004 1.00 2.61 C ATOM 683 CG LEU A 45 -11.447 -4.479 -10.510 1.00 2.70 C ATOM 684 CD1 LEU A 45 -12.310 -5.387 -9.636 1.00 2.88 C ATOM 685 CD2 LEU A 45 -11.049 -3.262 -9.679 1.00 3.62 C ATOM 0 H LEU A 45 -11.624 -7.086 -12.265 1.00 1.87 H new ATOM 0 HA LEU A 45 -10.359 -4.580 -13.070 1.00 2.53 H new ATOM 0 HB2 LEU A 45 -10.138 -6.200 -10.472 1.00 2.61 H new ATOM 0 HB3 LEU A 45 -9.311 -4.684 -10.771 1.00 2.61 H new ATOM 0 HG LEU A 45 -11.999 -4.148 -11.390 1.00 2.70 H new ATOM 0 HD11 LEU A 45 -13.183 -4.835 -9.289 1.00 2.88 H new ATOM 0 HD12 LEU A 45 -12.634 -6.250 -10.217 1.00 2.88 H new ATOM 0 HD13 LEU A 45 -11.729 -5.725 -8.777 1.00 2.88 H new ATOM 0 HD21 LEU A 45 -11.946 -2.740 -9.346 1.00 3.62 H new ATOM 0 HD22 LEU A 45 -10.475 -3.586 -8.811 1.00 3.62 H new ATOM 0 HD23 LEU A 45 -10.442 -2.590 -10.286 1.00 3.62 H new ATOM 697 N PRO A 46 -8.784 -7.496 -12.895 1.00 2.25 N ATOM 698 CA PRO A 46 -7.445 -8.050 -12.809 1.00 2.94 C ATOM 699 C PRO A 46 -6.783 -8.177 -14.180 1.00 3.04 C ATOM 700 O PRO A 46 -6.700 -9.269 -14.742 1.00 2.79 O ATOM 701 CB PRO A 46 -7.613 -9.383 -12.081 1.00 3.78 C ATOM 702 CG PRO A 46 -8.953 -9.850 -12.618 1.00 4.01 C ATOM 703 CD PRO A 46 -9.759 -8.548 -12.629 1.00 3.12 C ATOM 0 HA PRO A 46 -6.764 -7.397 -12.263 1.00 2.94 H new ATOM 0 HB2 PRO A 46 -6.810 -10.083 -12.315 1.00 3.78 H new ATOM 0 HB3 PRO A 46 -7.624 -9.261 -10.998 1.00 3.78 H new ATOM 0 HG2 PRO A 46 -8.865 -10.285 -13.614 1.00 4.01 H new ATOM 0 HG3 PRO A 46 -9.408 -10.607 -11.979 1.00 4.01 H new ATOM 0 HD2 PRO A 46 -10.533 -8.571 -13.396 1.00 3.12 H new ATOM 0 HD3 PRO A 46 -10.261 -8.388 -11.675 1.00 3.12 H new ATOM 711 N GLU A 47 -6.260 -7.057 -14.682 1.00 5.04 N ATOM 712 CA GLU A 47 -5.574 -6.934 -15.963 1.00 6.35 C ATOM 713 C GLU A 47 -4.498 -8.004 -16.221 1.00 5.12 C ATOM 714 O GLU A 47 -4.158 -8.230 -17.381 1.00 6.32 O ATOM 715 CB GLU A 47 -5.039 -5.499 -16.161 1.00 8.72 C ATOM 716 CG GLU A 47 -4.360 -4.894 -14.919 1.00 9.19 C ATOM 717 CD GLU A 47 -3.732 -3.520 -15.154 1.00 11.64 C ATOM 718 OE1 GLU A 47 -3.367 -2.882 -14.140 1.00 12.78 O ATOM 719 OE2 GLU A 47 -3.631 -3.127 -16.335 1.00 12.56 O ATOM 0 H GLU A 47 -6.307 -6.170 -14.180 1.00 5.04 H new ATOM 0 HA GLU A 47 -6.327 -7.130 -16.726 1.00 6.35 H new ATOM 0 HB2 GLU A 47 -4.325 -5.501 -16.985 1.00 8.72 H new ATOM 0 HB3 GLU A 47 -5.866 -4.854 -16.458 1.00 8.72 H new ATOM 0 HG2 GLU A 47 -5.097 -4.812 -14.120 1.00 9.19 H new ATOM 0 HG3 GLU A 47 -3.587 -5.579 -14.571 1.00 9.19 H new ATOM 726 N GLY A 48 -3.967 -8.687 -15.195 1.00 3.09 N ATOM 727 CA GLY A 48 -3.056 -9.796 -15.417 1.00 2.34 C ATOM 728 C GLY A 48 -2.164 -9.997 -14.206 1.00 1.49 C ATOM 729 O GLY A 48 -2.529 -10.724 -13.282 1.00 1.97 O ATOM 0 H GLY A 48 -4.157 -8.485 -14.214 1.00 3.09 H new ATOM 0 HA2 GLY A 48 -3.622 -10.706 -15.615 1.00 2.34 H new ATOM 0 HA3 GLY A 48 -2.445 -9.602 -16.299 1.00 2.34 H new ATOM 733 N GLY A 49 -1.001 -9.344 -14.230 1.00 1.69 N ATOM 734 CA GLY A 49 -0.010 -9.387 -13.173 1.00 1.30 C ATOM 735 C GLY A 49 0.011 -8.051 -12.442 1.00 1.51 C ATOM 736 O GLY A 49 -0.893 -7.761 -11.667 1.00 3.04 O ATOM 0 H GLY A 49 -0.722 -8.754 -15.014 1.00 1.69 H new ATOM 0 HA2 GLY A 49 -0.242 -10.192 -12.475 1.00 1.30 H new ATOM 0 HA3 GLY A 49 0.974 -9.601 -13.591 1.00 1.30 H new ATOM 740 N ARG A 50 1.049 -7.247 -12.674 1.00 0.72 N ATOM 741 CA ARG A 50 1.363 -6.101 -11.836 1.00 0.74 C ATOM 742 C ARG A 50 0.474 -4.902 -12.166 1.00 0.91 C ATOM 743 O ARG A 50 0.527 -4.396 -13.283 1.00 1.52 O ATOM 744 CB ARG A 50 2.842 -5.760 -12.027 1.00 1.05 C ATOM 745 CG ARG A 50 3.323 -4.877 -10.873 1.00 2.60 C ATOM 746 CD ARG A 50 4.849 -4.718 -10.880 1.00 3.23 C ATOM 747 NE ARG A 50 5.551 -6.017 -10.870 1.00 3.55 N ATOM 748 CZ ARG A 50 5.226 -7.020 -10.037 1.00 4.36 C ATOM 749 NH1 ARG A 50 4.816 -6.758 -8.797 1.00 5.44 N ATOM 750 NH2 ARG A 50 5.256 -8.278 -10.483 1.00 4.75 N ATOM 0 H ARG A 50 1.695 -7.377 -13.453 1.00 0.72 H new ATOM 0 HA ARG A 50 1.170 -6.350 -10.793 1.00 0.74 H new ATOM 0 HB2 ARG A 50 3.433 -6.675 -12.068 1.00 1.05 H new ATOM 0 HB3 ARG A 50 2.986 -5.244 -12.976 1.00 1.05 H new ATOM 0 HG2 ARG A 50 2.854 -3.896 -10.946 1.00 2.60 H new ATOM 0 HG3 ARG A 50 3.007 -5.312 -9.925 1.00 2.60 H new ATOM 0 HD2 ARG A 50 5.149 -4.153 -11.763 1.00 3.23 H new ATOM 0 HD3 ARG A 50 5.155 -4.136 -10.010 1.00 3.23 H new ATOM 0 HE ARG A 50 6.319 -6.160 -11.526 1.00 3.55 H new ATOM 0 HH11 ARG A 50 4.748 -5.792 -8.476 1.00 5.44 H new ATOM 0 HH12 ARG A 50 4.570 -7.523 -8.169 1.00 5.44 H new ATOM 0 HH21 ARG A 50 5.524 -8.471 -11.448 1.00 4.75 H new ATOM 0 HH22 ARG A 50 5.011 -9.046 -9.859 1.00 4.75 H new ATOM 764 N ALA A 51 -0.304 -4.422 -11.193 1.00 0.81 N ATOM 765 CA ALA A 51 -1.236 -3.329 -11.432 1.00 0.82 C ATOM 766 C ALA A 51 -0.547 -1.973 -11.464 1.00 0.75 C ATOM 767 O ALA A 51 0.457 -1.749 -10.790 1.00 1.25 O ATOM 768 CB ALA A 51 -2.292 -3.265 -10.335 1.00 1.19 C ATOM 0 H ALA A 51 -0.304 -4.775 -10.236 1.00 0.81 H new ATOM 0 HA ALA A 51 -1.686 -3.535 -12.403 1.00 0.82 H new ATOM 0 HB1 ALA A 51 -2.976 -2.441 -10.536 1.00 1.19 H new ATOM 0 HB2 ALA A 51 -2.849 -4.201 -10.311 1.00 1.19 H new ATOM 0 HB3 ALA A 51 -1.807 -3.107 -9.372 1.00 1.19 H new ATOM 774 N THR A 52 -1.159 -1.032 -12.177 1.00 0.74 N ATOM 775 CA THR A 52 -0.672 0.332 -12.308 1.00 0.81 C ATOM 776 C THR A 52 -1.022 1.181 -11.068 1.00 0.94 C ATOM 777 O THR A 52 -1.751 2.162 -11.166 1.00 1.31 O ATOM 778 CB THR A 52 -1.217 0.897 -13.637 1.00 1.05 C ATOM 779 OG1 THR A 52 -0.725 2.209 -13.871 1.00 1.46 O ATOM 780 CG2 THR A 52 -2.758 0.802 -13.738 1.00 1.09 C ATOM 0 H THR A 52 -2.024 -1.203 -12.689 1.00 0.74 H new ATOM 0 HA THR A 52 0.417 0.358 -12.347 1.00 0.81 H new ATOM 0 HB THR A 52 -0.839 0.265 -14.441 1.00 1.05 H new ATOM 0 HG1 THR A 52 -1.082 2.546 -14.719 1.00 1.46 H new ATOM 0 HG21 THR A 52 -3.086 1.214 -14.692 1.00 1.09 H new ATOM 0 HG22 THR A 52 -3.063 -0.242 -13.669 1.00 1.09 H new ATOM 0 HG23 THR A 52 -3.212 1.367 -12.924 1.00 1.09 H new ATOM 788 N TYR A 53 -0.480 0.846 -9.890 1.00 1.14 N ATOM 789 CA TYR A 53 -0.725 1.600 -8.650 1.00 1.51 C ATOM 790 C TYR A 53 0.116 2.885 -8.614 1.00 1.33 C ATOM 791 O TYR A 53 1.107 3.005 -7.898 1.00 1.80 O ATOM 792 CB TYR A 53 -0.441 0.735 -7.412 1.00 1.90 C ATOM 793 CG TYR A 53 -1.577 -0.123 -6.901 1.00 1.62 C ATOM 794 CD1 TYR A 53 -1.626 -0.405 -5.524 1.00 2.72 C ATOM 795 CD2 TYR A 53 -2.539 -0.678 -7.766 1.00 2.13 C ATOM 796 CE1 TYR A 53 -2.631 -1.234 -5.012 1.00 2.89 C ATOM 797 CE2 TYR A 53 -3.529 -1.535 -7.256 1.00 2.52 C ATOM 798 CZ TYR A 53 -3.572 -1.812 -5.879 1.00 2.33 C ATOM 799 OH TYR A 53 -4.444 -2.741 -5.398 1.00 2.98 O ATOM 0 H TYR A 53 0.140 0.046 -9.768 1.00 1.14 H new ATOM 0 HA TYR A 53 -1.778 1.880 -8.634 1.00 1.51 H new ATOM 0 HB2 TYR A 53 0.401 0.082 -7.641 1.00 1.90 H new ATOM 0 HB3 TYR A 53 -0.123 1.394 -6.604 1.00 1.90 H new ATOM 0 HD1 TYR A 53 -0.887 0.019 -4.860 1.00 2.72 H new ATOM 0 HD2 TYR A 53 -2.516 -0.445 -8.820 1.00 2.13 H new ATOM 0 HE1 TYR A 53 -2.683 -1.429 -3.951 1.00 2.89 H new ATOM 0 HE2 TYR A 53 -4.255 -1.980 -7.921 1.00 2.52 H new ATOM 0 HH TYR A 53 -4.742 -3.320 -6.130 1.00 2.98 H new ATOM 809 N ARG A 54 -0.290 3.876 -9.394 1.00 1.05 N ATOM 810 CA ARG A 54 0.401 5.146 -9.510 1.00 1.01 C ATOM 811 C ARG A 54 -0.018 6.008 -8.318 1.00 0.83 C ATOM 812 O ARG A 54 -1.009 6.736 -8.384 1.00 0.96 O ATOM 813 CB ARG A 54 0.007 5.772 -10.856 1.00 1.51 C ATOM 814 CG ARG A 54 0.371 4.834 -12.022 1.00 1.84 C ATOM 815 CD ARG A 54 1.781 5.020 -12.573 1.00 1.94 C ATOM 816 NE ARG A 54 2.010 4.016 -13.626 1.00 3.11 N ATOM 817 CZ ARG A 54 3.075 3.980 -14.440 1.00 3.98 C ATOM 818 NH1 ARG A 54 4.019 4.922 -14.339 1.00 3.84 N ATOM 819 NH2 ARG A 54 3.189 3.002 -15.344 1.00 5.41 N ATOM 0 H ARG A 54 -1.126 3.816 -9.975 1.00 1.05 H new ATOM 0 HA ARG A 54 1.486 5.043 -9.492 1.00 1.01 H new ATOM 0 HB2 ARG A 54 -1.064 5.976 -10.868 1.00 1.51 H new ATOM 0 HB3 ARG A 54 0.515 6.728 -10.980 1.00 1.51 H new ATOM 0 HG2 ARG A 54 0.259 3.802 -11.689 1.00 1.84 H new ATOM 0 HG3 ARG A 54 -0.344 4.987 -12.831 1.00 1.84 H new ATOM 0 HD2 ARG A 54 1.900 6.025 -12.977 1.00 1.94 H new ATOM 0 HD3 ARG A 54 2.516 4.907 -11.776 1.00 1.94 H new ATOM 0 HE ARG A 54 1.303 3.291 -13.745 1.00 3.11 H new ATOM 0 HH11 ARG A 54 3.927 5.664 -13.645 1.00 3.84 H new ATOM 0 HH12 ARG A 54 4.831 4.899 -14.956 1.00 3.84 H new ATOM 0 HH21 ARG A 54 2.467 2.285 -15.414 1.00 5.41 H new ATOM 0 HH22 ARG A 54 3.998 2.973 -15.964 1.00 5.41 H new ATOM 833 N GLY A 55 0.708 5.898 -7.203 1.00 0.72 N ATOM 834 CA GLY A 55 0.328 6.597 -5.990 1.00 0.62 C ATOM 835 C GLY A 55 1.483 6.854 -5.036 1.00 0.72 C ATOM 836 O GLY A 55 2.622 6.456 -5.284 1.00 0.97 O ATOM 0 H GLY A 55 1.554 5.334 -7.122 1.00 0.72 H new ATOM 0 HA2 GLY A 55 -0.126 7.551 -6.260 1.00 0.62 H new ATOM 0 HA3 GLY A 55 -0.435 6.016 -5.472 1.00 0.62 H new ATOM 840 N THR A 56 1.156 7.520 -3.929 1.00 0.76 N ATOM 841 CA THR A 56 2.079 7.987 -2.915 1.00 1.04 C ATOM 842 C THR A 56 1.460 7.702 -1.553 1.00 0.84 C ATOM 843 O THR A 56 0.325 8.095 -1.280 1.00 0.72 O ATOM 844 CB THR A 56 2.360 9.485 -3.106 1.00 1.41 C ATOM 845 OG1 THR A 56 2.701 9.736 -4.455 1.00 2.98 O ATOM 846 CG2 THR A 56 3.520 9.960 -2.223 1.00 2.77 C ATOM 0 H THR A 56 0.188 7.757 -3.711 1.00 0.76 H new ATOM 0 HA THR A 56 3.035 7.470 -2.993 1.00 1.04 H new ATOM 0 HB THR A 56 1.457 10.026 -2.825 1.00 1.41 H new ATOM 0 HG1 THR A 56 2.878 10.692 -4.575 1.00 2.98 H new ATOM 0 HG21 THR A 56 3.689 11.024 -2.386 1.00 2.77 H new ATOM 0 HG22 THR A 56 3.274 9.788 -1.175 1.00 2.77 H new ATOM 0 HG23 THR A 56 4.423 9.406 -2.479 1.00 2.77 H new ATOM 854 N ALA A 57 2.219 7.023 -0.697 1.00 1.13 N ATOM 855 CA ALA A 57 1.864 6.858 0.695 1.00 1.02 C ATOM 856 C ALA A 57 2.438 8.074 1.406 1.00 1.03 C ATOM 857 O ALA A 57 3.517 7.978 1.979 1.00 1.24 O ATOM 858 CB ALA A 57 2.468 5.547 1.196 1.00 1.07 C ATOM 0 H ALA A 57 3.097 6.574 -0.957 1.00 1.13 H new ATOM 0 HA ALA A 57 0.790 6.799 0.872 1.00 1.02 H new ATOM 0 HB1 ALA A 57 2.210 5.405 2.246 1.00 1.07 H new ATOM 0 HB2 ALA A 57 2.073 4.717 0.610 1.00 1.07 H new ATOM 0 HB3 ALA A 57 3.552 5.582 1.090 1.00 1.07 H new ATOM 864 N PHE A 58 1.763 9.223 1.303 1.00 0.96 N ATOM 865 CA PHE A 58 2.319 10.503 1.738 1.00 1.06 C ATOM 866 C PHE A 58 2.102 10.693 3.237 1.00 0.88 C ATOM 867 O PHE A 58 1.048 10.355 3.771 1.00 0.77 O ATOM 868 CB PHE A 58 1.794 11.680 0.910 1.00 1.27 C ATOM 869 CG PHE A 58 0.399 12.149 1.274 1.00 1.15 C ATOM 870 CD1 PHE A 58 0.236 13.187 2.212 1.00 1.89 C ATOM 871 CD2 PHE A 58 -0.734 11.496 0.754 1.00 2.37 C ATOM 872 CE1 PHE A 58 -1.050 13.562 2.635 1.00 2.15 C ATOM 873 CE2 PHE A 58 -2.021 11.874 1.176 1.00 2.23 C ATOM 874 CZ PHE A 58 -2.179 12.905 2.118 1.00 1.31 C ATOM 0 H PHE A 58 0.821 9.290 0.918 1.00 0.96 H new ATOM 0 HA PHE A 58 3.394 10.482 1.559 1.00 1.06 H new ATOM 0 HB2 PHE A 58 2.483 12.518 1.020 1.00 1.27 H new ATOM 0 HB3 PHE A 58 1.802 11.397 -0.142 1.00 1.27 H new ATOM 0 HD1 PHE A 58 1.102 13.696 2.607 1.00 1.89 H new ATOM 0 HD2 PHE A 58 -0.615 10.704 0.030 1.00 2.37 H new ATOM 0 HE1 PHE A 58 -1.171 14.355 3.358 1.00 2.15 H new ATOM 0 HE2 PHE A 58 -2.889 11.371 0.776 1.00 2.23 H new ATOM 0 HZ PHE A 58 -3.168 13.192 2.444 1.00 1.31 H new ATOM 884 N GLY A 59 3.118 11.198 3.934 1.00 0.92 N ATOM 885 CA GLY A 59 3.088 11.330 5.379 1.00 0.88 C ATOM 886 C GLY A 59 2.423 12.640 5.774 1.00 1.08 C ATOM 887 O GLY A 59 2.422 13.587 4.994 1.00 1.30 O ATOM 0 H GLY A 59 3.984 11.526 3.507 1.00 0.92 H new ATOM 0 HA2 GLY A 59 2.545 10.492 5.817 1.00 0.88 H new ATOM 0 HA3 GLY A 59 4.103 11.295 5.776 1.00 0.88 H new ATOM 891 N SER A 60 1.945 12.743 7.016 1.00 1.15 N ATOM 892 CA SER A 60 1.622 14.039 7.606 1.00 1.45 C ATOM 893 C SER A 60 2.805 15.030 7.474 1.00 1.58 C ATOM 894 O SER A 60 2.600 16.191 7.135 1.00 2.05 O ATOM 895 CB SER A 60 1.162 13.829 9.055 1.00 1.53 C ATOM 896 OG SER A 60 0.574 15.006 9.571 1.00 2.18 O ATOM 0 H SER A 60 1.774 11.946 7.629 1.00 1.15 H new ATOM 0 HA SER A 60 0.799 14.501 7.060 1.00 1.45 H new ATOM 0 HB2 SER A 60 0.444 13.010 9.098 1.00 1.53 H new ATOM 0 HB3 SER A 60 2.012 13.541 9.673 1.00 1.53 H new ATOM 0 HG SER A 60 0.286 14.850 10.495 1.00 2.18 H new ATOM 902 N ASP A 61 4.051 14.563 7.673 1.00 1.35 N ATOM 903 CA ASP A 61 5.278 15.347 7.440 1.00 1.63 C ATOM 904 C ASP A 61 5.500 15.686 5.957 1.00 1.48 C ATOM 905 O ASP A 61 6.328 16.525 5.617 1.00 1.49 O ATOM 906 CB ASP A 61 6.491 14.541 7.946 1.00 1.99 C ATOM 907 CG ASP A 61 7.844 15.226 7.695 1.00 2.62 C ATOM 908 OD1 ASP A 61 8.592 14.797 6.799 1.00 3.83 O ATOM 909 OD2 ASP A 61 8.132 16.176 8.474 1.00 2.55 O ATOM 0 H ASP A 61 4.237 13.617 8.005 1.00 1.35 H new ATOM 0 HA ASP A 61 5.166 16.287 7.980 1.00 1.63 H new ATOM 0 HB2 ASP A 61 6.377 14.365 9.016 1.00 1.99 H new ATOM 0 HB3 ASP A 61 6.494 13.565 7.461 1.00 1.99 H new ATOM 914 N ASP A 62 4.840 14.946 5.067 1.00 1.43 N ATOM 915 CA ASP A 62 5.383 14.543 3.785 1.00 1.48 C ATOM 916 C ASP A 62 6.822 14.020 3.930 1.00 1.46 C ATOM 917 O ASP A 62 7.796 14.469 3.320 1.00 1.70 O ATOM 918 CB ASP A 62 5.163 15.578 2.679 1.00 1.72 C ATOM 919 CG ASP A 62 5.386 14.950 1.307 1.00 2.43 C ATOM 920 OD1 ASP A 62 5.251 13.709 1.217 1.00 2.91 O ATOM 921 OD2 ASP A 62 5.666 15.726 0.368 1.00 3.35 O ATOM 0 H ASP A 62 3.892 14.606 5.228 1.00 1.43 H new ATOM 0 HA ASP A 62 4.804 13.691 3.429 1.00 1.48 H new ATOM 0 HB2 ASP A 62 4.151 15.977 2.743 1.00 1.72 H new ATOM 0 HB3 ASP A 62 5.845 16.417 2.817 1.00 1.72 H new ATOM 926 N ALA A 63 6.932 12.989 4.767 1.00 1.32 N ATOM 927 CA ALA A 63 7.968 11.978 4.691 1.00 1.42 C ATOM 928 C ALA A 63 7.251 10.678 4.362 1.00 1.22 C ATOM 929 O ALA A 63 7.318 9.711 5.115 1.00 1.27 O ATOM 930 CB ALA A 63 8.718 11.872 6.018 1.00 1.59 C ATOM 0 H ALA A 63 6.280 12.836 5.537 1.00 1.32 H new ATOM 0 HA ALA A 63 8.714 12.221 3.935 1.00 1.42 H new ATOM 0 HB1 ALA A 63 9.491 11.108 5.939 1.00 1.59 H new ATOM 0 HB2 ALA A 63 9.179 12.831 6.253 1.00 1.59 H new ATOM 0 HB3 ALA A 63 8.020 11.601 6.810 1.00 1.59 H new ATOM 936 N GLY A 64 6.549 10.667 3.231 1.00 1.15 N ATOM 937 CA GLY A 64 5.857 9.489 2.760 1.00 1.10 C ATOM 938 C GLY A 64 6.127 9.311 1.271 1.00 1.12 C ATOM 939 O GLY A 64 5.774 10.156 0.453 1.00 2.05 O ATOM 0 H GLY A 64 6.449 11.479 2.622 1.00 1.15 H new ATOM 0 HA2 GLY A 64 6.194 8.610 3.310 1.00 1.10 H new ATOM 0 HA3 GLY A 64 4.786 9.586 2.939 1.00 1.10 H new ATOM 943 N GLY A 65 6.814 8.221 0.943 1.00 1.05 N ATOM 944 CA GLY A 65 7.320 7.916 -0.376 1.00 1.03 C ATOM 945 C GLY A 65 6.241 7.368 -1.306 1.00 0.94 C ATOM 946 O GLY A 65 5.058 7.251 -0.979 1.00 1.28 O ATOM 0 H GLY A 65 7.039 7.498 1.626 1.00 1.05 H new ATOM 0 HA2 GLY A 65 7.749 8.817 -0.814 1.00 1.03 H new ATOM 0 HA3 GLY A 65 8.127 7.188 -0.292 1.00 1.03 H new ATOM 950 N LYS A 66 6.691 7.049 -2.514 1.00 0.88 N ATOM 951 CA LYS A 66 5.855 6.642 -3.622 1.00 0.92 C ATOM 952 C LYS A 66 5.406 5.209 -3.345 1.00 0.82 C ATOM 953 O LYS A 66 6.239 4.371 -3.013 1.00 1.13 O ATOM 954 CB LYS A 66 6.720 6.622 -4.881 1.00 1.25 C ATOM 955 CG LYS A 66 7.499 7.916 -5.129 1.00 1.60 C ATOM 956 CD LYS A 66 8.503 7.712 -6.279 1.00 2.22 C ATOM 957 CE LYS A 66 9.530 6.588 -6.016 1.00 3.17 C ATOM 958 NZ LYS A 66 9.174 5.285 -6.619 1.00 4.67 N ATOM 0 H LYS A 66 7.683 7.069 -2.750 1.00 0.88 H new ATOM 0 HA LYS A 66 5.004 7.312 -3.745 1.00 0.92 H new ATOM 0 HB2 LYS A 66 7.426 5.794 -4.810 1.00 1.25 H new ATOM 0 HB3 LYS A 66 6.083 6.424 -5.743 1.00 1.25 H new ATOM 0 HG2 LYS A 66 6.810 8.724 -5.375 1.00 1.60 H new ATOM 0 HG3 LYS A 66 8.027 8.212 -4.222 1.00 1.60 H new ATOM 0 HD2 LYS A 66 7.954 7.484 -7.192 1.00 2.22 H new ATOM 0 HD3 LYS A 66 9.037 8.646 -6.453 1.00 2.22 H new ATOM 0 HE2 LYS A 66 10.500 6.901 -6.402 1.00 3.17 H new ATOM 0 HE3 LYS A 66 9.642 6.459 -4.940 1.00 3.17 H new ATOM 0 HZ1 LYS A 66 10.033 4.822 -6.978 1.00 4.67 H new ATOM 0 HZ2 LYS A 66 8.729 4.680 -5.900 1.00 4.67 H new ATOM 0 HZ3 LYS A 66 8.509 5.436 -7.404 1.00 4.67 H new ATOM 972 N LEU A 67 4.122 4.897 -3.507 1.00 0.70 N ATOM 973 CA LEU A 67 3.648 3.534 -3.337 1.00 0.77 C ATOM 974 C LEU A 67 3.998 2.784 -4.617 1.00 1.04 C ATOM 975 O LEU A 67 3.143 2.573 -5.475 1.00 1.72 O ATOM 976 CB LEU A 67 2.139 3.539 -3.064 1.00 0.73 C ATOM 977 CG LEU A 67 1.603 2.126 -2.782 1.00 0.86 C ATOM 978 CD1 LEU A 67 1.993 1.664 -1.377 1.00 0.91 C ATOM 979 CD2 LEU A 67 0.079 2.137 -2.917 1.00 0.93 C ATOM 0 H LEU A 67 3.397 5.570 -3.755 1.00 0.70 H new ATOM 0 HA LEU A 67 4.117 3.042 -2.485 1.00 0.77 H new ATOM 0 HB2 LEU A 67 1.926 4.185 -2.212 1.00 0.73 H new ATOM 0 HB3 LEU A 67 1.616 3.961 -3.922 1.00 0.73 H new ATOM 0 HG LEU A 67 2.039 1.432 -3.501 1.00 0.86 H new ATOM 0 HD11 LEU A 67 1.602 0.662 -1.202 1.00 0.91 H new ATOM 0 HD12 LEU A 67 3.079 1.651 -1.287 1.00 0.91 H new ATOM 0 HD13 LEU A 67 1.576 2.350 -0.640 1.00 0.91 H new ATOM 0 HD21 LEU A 67 -0.311 1.139 -2.719 1.00 0.93 H new ATOM 0 HD22 LEU A 67 -0.345 2.841 -2.201 1.00 0.93 H new ATOM 0 HD23 LEU A 67 -0.195 2.439 -3.928 1.00 0.93 H new ATOM 991 N THR A 68 5.272 2.432 -4.794 1.00 0.88 N ATOM 992 CA THR A 68 5.731 2.138 -6.142 1.00 0.96 C ATOM 993 C THR A 68 5.251 0.756 -6.567 1.00 1.34 C ATOM 994 O THR A 68 5.412 -0.209 -5.828 1.00 1.93 O ATOM 995 CB THR A 68 7.248 2.314 -6.280 1.00 1.29 C ATOM 996 OG1 THR A 68 7.722 3.375 -5.461 1.00 2.50 O ATOM 997 CG2 THR A 68 7.541 2.641 -7.746 1.00 1.53 C ATOM 0 H THR A 68 5.972 2.347 -4.057 1.00 0.88 H new ATOM 0 HA THR A 68 5.291 2.863 -6.827 1.00 0.96 H new ATOM 0 HB THR A 68 7.750 1.400 -5.964 1.00 1.29 H new ATOM 0 HG1 THR A 68 7.760 3.076 -4.528 1.00 2.50 H new ATOM 0 HG21 THR A 68 8.614 2.773 -7.882 1.00 1.53 H new ATOM 0 HG22 THR A 68 7.193 1.824 -8.378 1.00 1.53 H new ATOM 0 HG23 THR A 68 7.024 3.559 -8.024 1.00 1.53 H new ATOM 1005 N TYR A 69 4.608 0.676 -7.734 1.00 1.10 N ATOM 1006 CA TYR A 69 3.456 -0.185 -7.849 1.00 1.16 C ATOM 1007 C TYR A 69 3.830 -1.660 -7.890 1.00 1.03 C ATOM 1008 O TYR A 69 4.673 -2.098 -8.672 1.00 1.05 O ATOM 1009 CB TYR A 69 2.645 0.199 -9.093 1.00 1.10 C ATOM 1010 CG TYR A 69 3.408 0.403 -10.389 1.00 0.95 C ATOM 1011 CD1 TYR A 69 3.912 1.678 -10.712 1.00 2.29 C ATOM 1012 CD2 TYR A 69 3.517 -0.642 -11.325 1.00 1.70 C ATOM 1013 CE1 TYR A 69 4.603 1.882 -11.918 1.00 2.40 C ATOM 1014 CE2 TYR A 69 4.157 -0.423 -12.557 1.00 1.64 C ATOM 1015 CZ TYR A 69 4.729 0.827 -12.838 1.00 1.09 C ATOM 1016 OH TYR A 69 5.380 1.030 -14.018 1.00 1.36 O ATOM 0 H TYR A 69 4.863 1.184 -8.581 1.00 1.10 H new ATOM 0 HA TYR A 69 2.849 -0.041 -6.955 1.00 1.16 H new ATOM 0 HB2 TYR A 69 1.898 -0.577 -9.261 1.00 1.10 H new ATOM 0 HB3 TYR A 69 2.105 1.119 -8.872 1.00 1.10 H new ATOM 0 HD1 TYR A 69 3.767 2.502 -10.030 1.00 2.29 H new ATOM 0 HD2 TYR A 69 3.108 -1.615 -11.096 1.00 1.70 H new ATOM 0 HE1 TYR A 69 5.036 2.847 -12.138 1.00 2.40 H new ATOM 0 HE2 TYR A 69 4.209 -1.217 -13.287 1.00 1.64 H new ATOM 0 HH TYR A 69 5.379 0.200 -14.539 1.00 1.36 H new ATOM 1026 N THR A 70 3.179 -2.427 -7.017 1.00 0.92 N ATOM 1027 CA THR A 70 3.190 -3.872 -7.020 1.00 0.74 C ATOM 1028 C THR A 70 1.939 -4.360 -6.319 1.00 0.81 C ATOM 1029 O THR A 70 1.901 -4.448 -5.097 1.00 0.86 O ATOM 1030 CB THR A 70 4.475 -4.407 -6.381 1.00 0.85 C ATOM 1031 OG1 THR A 70 5.448 -4.417 -7.412 1.00 1.40 O ATOM 1032 CG2 THR A 70 4.382 -5.839 -5.827 1.00 1.18 C ATOM 0 H THR A 70 2.612 -2.036 -6.265 1.00 0.92 H new ATOM 0 HA THR A 70 3.184 -4.252 -8.041 1.00 0.74 H new ATOM 0 HB THR A 70 4.706 -3.768 -5.529 1.00 0.85 H new ATOM 0 HG1 THR A 70 5.354 -3.609 -7.959 1.00 1.40 H new ATOM 0 HG21 THR A 70 5.341 -6.125 -5.396 1.00 1.18 H new ATOM 0 HG22 THR A 70 3.611 -5.882 -5.058 1.00 1.18 H new ATOM 0 HG23 THR A 70 4.127 -6.526 -6.634 1.00 1.18 H new ATOM 1040 N ILE A 71 0.930 -4.714 -7.110 1.00 0.90 N ATOM 1041 CA ILE A 71 0.036 -5.780 -6.725 1.00 0.83 C ATOM 1042 C ILE A 71 0.003 -6.711 -7.914 1.00 0.87 C ATOM 1043 O ILE A 71 -0.239 -6.246 -9.024 1.00 1.13 O ATOM 1044 CB ILE A 71 -1.352 -5.287 -6.297 1.00 0.86 C ATOM 1045 CG1 ILE A 71 -2.423 -5.150 -7.379 1.00 1.02 C ATOM 1046 CG2 ILE A 71 -1.262 -3.893 -5.666 1.00 1.13 C ATOM 1047 CD1 ILE A 71 -2.965 -6.439 -7.996 1.00 1.49 C ATOM 0 H ILE A 71 0.720 -4.279 -8.009 1.00 0.90 H new ATOM 0 HA ILE A 71 0.391 -6.292 -5.831 1.00 0.83 H new ATOM 0 HB ILE A 71 -1.661 -6.084 -5.621 1.00 0.86 H new ATOM 0 HG12 ILE A 71 -3.263 -4.600 -6.954 1.00 1.02 H new ATOM 0 HG13 ILE A 71 -2.014 -4.537 -8.183 1.00 1.02 H new ATOM 0 HG21 ILE A 71 -2.258 -3.563 -5.370 1.00 1.13 H new ATOM 0 HG22 ILE A 71 -0.617 -3.932 -4.789 1.00 1.13 H new ATOM 0 HG23 ILE A 71 -0.848 -3.192 -6.390 1.00 1.13 H new ATOM 0 HD11 ILE A 71 -3.716 -6.195 -8.747 1.00 1.49 H new ATOM 0 HD12 ILE A 71 -2.149 -6.989 -8.464 1.00 1.49 H new ATOM 0 HD13 ILE A 71 -3.417 -7.053 -7.217 1.00 1.49 H new ATOM 1059 N ASP A 72 0.280 -7.988 -7.685 1.00 0.84 N ATOM 1060 CA ASP A 72 0.196 -9.009 -8.703 1.00 1.00 C ATOM 1061 C ASP A 72 -1.227 -9.564 -8.642 1.00 0.96 C ATOM 1062 O ASP A 72 -1.549 -10.318 -7.719 1.00 1.17 O ATOM 1063 CB ASP A 72 1.293 -10.054 -8.453 1.00 1.34 C ATOM 1064 CG ASP A 72 2.682 -9.475 -8.717 1.00 3.00 C ATOM 1065 OD1 ASP A 72 3.137 -8.613 -7.932 1.00 4.44 O ATOM 1066 OD2 ASP A 72 3.293 -9.852 -9.739 1.00 3.66 O ATOM 0 H ASP A 72 0.572 -8.341 -6.774 1.00 0.84 H new ATOM 0 HA ASP A 72 0.372 -8.635 -9.712 1.00 1.00 H new ATOM 0 HB2 ASP A 72 1.234 -10.407 -7.424 1.00 1.34 H new ATOM 0 HB3 ASP A 72 1.129 -10.918 -9.097 1.00 1.34 H new ATOM 1071 N PHE A 73 -2.094 -9.161 -9.584 1.00 0.98 N ATOM 1072 CA PHE A 73 -3.516 -9.518 -9.633 1.00 0.97 C ATOM 1073 C PHE A 73 -3.759 -11.018 -9.566 1.00 1.27 C ATOM 1074 O PHE A 73 -4.872 -11.434 -9.258 1.00 1.49 O ATOM 1075 CB PHE A 73 -4.204 -8.971 -10.892 1.00 0.95 C ATOM 1076 CG PHE A 73 -4.559 -7.505 -10.834 1.00 1.07 C ATOM 1077 CD1 PHE A 73 -5.597 -7.065 -9.989 1.00 2.70 C ATOM 1078 CD2 PHE A 73 -3.928 -6.597 -11.698 1.00 1.56 C ATOM 1079 CE1 PHE A 73 -6.018 -5.724 -10.031 1.00 3.39 C ATOM 1080 CE2 PHE A 73 -4.326 -5.255 -11.714 1.00 1.62 C ATOM 1081 CZ PHE A 73 -5.386 -4.819 -10.901 1.00 2.35 C ATOM 0 H PHE A 73 -1.813 -8.558 -10.357 1.00 0.98 H new ATOM 0 HA PHE A 73 -3.948 -9.056 -8.745 1.00 0.97 H new ATOM 0 HB2 PHE A 73 -3.550 -9.138 -11.748 1.00 0.95 H new ATOM 0 HB3 PHE A 73 -5.114 -9.544 -11.069 1.00 0.95 H new ATOM 0 HD1 PHE A 73 -6.070 -7.758 -9.309 1.00 2.70 H new ATOM 0 HD2 PHE A 73 -3.136 -6.933 -12.350 1.00 1.56 H new ATOM 0 HE1 PHE A 73 -6.825 -5.390 -9.396 1.00 3.39 H new ATOM 0 HE2 PHE A 73 -3.816 -4.551 -12.355 1.00 1.62 H new ATOM 0 HZ PHE A 73 -5.714 -3.791 -10.945 1.00 2.35 H new ATOM 1091 N ALA A 74 -2.728 -11.816 -9.843 1.00 1.53 N ATOM 1092 CA ALA A 74 -2.724 -13.238 -9.579 1.00 1.95 C ATOM 1093 C ALA A 74 -3.374 -13.559 -8.218 1.00 1.84 C ATOM 1094 O ALA A 74 -4.202 -14.461 -8.143 1.00 2.10 O ATOM 1095 CB ALA A 74 -1.280 -13.743 -9.639 1.00 2.29 C ATOM 0 H ALA A 74 -1.862 -11.478 -10.264 1.00 1.53 H new ATOM 0 HA ALA A 74 -3.319 -13.748 -10.337 1.00 1.95 H new ATOM 0 HB1 ALA A 74 -1.261 -14.815 -9.442 1.00 2.29 H new ATOM 0 HB2 ALA A 74 -0.867 -13.549 -10.629 1.00 2.29 H new ATOM 0 HB3 ALA A 74 -0.682 -13.225 -8.889 1.00 2.29 H new ATOM 1101 N ALA A 75 -3.013 -12.806 -7.163 1.00 1.52 N ATOM 1102 CA ALA A 75 -3.688 -12.884 -5.855 1.00 1.33 C ATOM 1103 C ALA A 75 -3.701 -11.574 -5.053 1.00 1.19 C ATOM 1104 O ALA A 75 -4.063 -11.582 -3.881 1.00 1.46 O ATOM 1105 CB ALA A 75 -3.059 -13.990 -5.009 1.00 1.27 C ATOM 0 H ALA A 75 -2.250 -12.130 -7.193 1.00 1.52 H new ATOM 0 HA ALA A 75 -4.731 -13.104 -6.083 1.00 1.33 H new ATOM 0 HB1 ALA A 75 -3.563 -14.041 -4.044 1.00 1.27 H new ATOM 0 HB2 ALA A 75 -3.162 -14.945 -5.524 1.00 1.27 H new ATOM 0 HB3 ALA A 75 -2.002 -13.774 -4.855 1.00 1.27 H new ATOM 1111 N LYS A 76 -3.321 -10.446 -5.656 1.00 0.92 N ATOM 1112 CA LYS A 76 -3.452 -9.127 -5.068 1.00 0.81 C ATOM 1113 C LYS A 76 -2.711 -8.993 -3.732 1.00 0.87 C ATOM 1114 O LYS A 76 -3.277 -8.660 -2.695 1.00 1.07 O ATOM 1115 CB LYS A 76 -4.940 -8.780 -5.037 1.00 0.92 C ATOM 1116 CG LYS A 76 -5.354 -7.296 -5.048 1.00 1.40 C ATOM 1117 CD LYS A 76 -4.886 -6.384 -3.897 1.00 2.84 C ATOM 1118 CE LYS A 76 -5.776 -5.124 -3.888 1.00 3.62 C ATOM 1119 NZ LYS A 76 -5.204 -3.966 -3.165 1.00 5.35 N ATOM 0 H LYS A 76 -2.905 -10.432 -6.587 1.00 0.92 H new ATOM 0 HA LYS A 76 -2.949 -8.378 -5.679 1.00 0.81 H new ATOM 0 HB2 LYS A 76 -5.409 -9.260 -5.895 1.00 0.92 H new ATOM 0 HB3 LYS A 76 -5.367 -9.236 -4.144 1.00 0.92 H new ATOM 0 HG2 LYS A 76 -4.995 -6.861 -5.980 1.00 1.40 H new ATOM 0 HG3 LYS A 76 -6.443 -7.258 -5.077 1.00 1.40 H new ATOM 0 HD2 LYS A 76 -4.959 -6.907 -2.944 1.00 2.84 H new ATOM 0 HD3 LYS A 76 -3.840 -6.109 -4.031 1.00 2.84 H new ATOM 0 HE2 LYS A 76 -5.975 -4.829 -4.918 1.00 3.62 H new ATOM 0 HE3 LYS A 76 -6.736 -5.377 -3.438 1.00 3.62 H new ATOM 0 HZ1 LYS A 76 -5.971 -3.419 -2.724 1.00 5.35 H new ATOM 0 HZ2 LYS A 76 -4.552 -4.304 -2.428 1.00 5.35 H new ATOM 0 HZ3 LYS A 76 -4.686 -3.360 -3.834 1.00 5.35 H new ATOM 1133 N GLN A 77 -1.391 -9.144 -3.807 1.00 0.85 N ATOM 1134 CA GLN A 77 -0.468 -8.908 -2.716 1.00 0.89 C ATOM 1135 C GLN A 77 -0.117 -7.435 -2.825 1.00 0.97 C ATOM 1136 O GLN A 77 0.848 -7.048 -3.480 1.00 1.67 O ATOM 1137 CB GLN A 77 0.758 -9.835 -2.754 1.00 1.14 C ATOM 1138 CG GLN A 77 1.205 -10.297 -4.146 1.00 1.24 C ATOM 1139 CD GLN A 77 0.487 -11.585 -4.548 1.00 1.29 C ATOM 1140 OE1 GLN A 77 -0.509 -11.529 -5.428 1.00 1.89 O flip ATOM 1141 NE2 GLN A 77 0.828 -12.657 -4.056 1.00 1.26 N flip ATOM 0 H GLN A 77 -0.925 -9.445 -4.663 1.00 0.85 H new ATOM 0 HA GLN A 77 -0.913 -9.141 -1.749 1.00 0.89 H new ATOM 0 HB2 GLN A 77 1.593 -9.321 -2.277 1.00 1.14 H new ATOM 0 HB3 GLN A 77 0.541 -10.717 -2.152 1.00 1.14 H new ATOM 0 HG2 GLN A 77 0.997 -9.516 -4.877 1.00 1.24 H new ATOM 0 HG3 GLN A 77 2.283 -10.460 -4.151 1.00 1.24 H new ATOM 0 HE21 GLN A 77 1.593 -12.688 -3.382 1.00 1.26 H new ATOM 0 HE22 GLN A 77 0.346 -13.516 -4.321 1.00 1.26 H new ATOM 1150 N GLY A 78 -1.015 -6.612 -2.292 1.00 1.16 N ATOM 1151 CA GLY A 78 -1.079 -5.201 -2.625 1.00 1.25 C ATOM 1152 C GLY A 78 0.023 -4.341 -2.006 1.00 0.92 C ATOM 1153 O GLY A 78 -0.255 -3.541 -1.118 1.00 1.09 O ATOM 0 H GLY A 78 -1.718 -6.910 -1.616 1.00 1.16 H new ATOM 0 HA2 GLY A 78 -1.035 -5.096 -3.709 1.00 1.25 H new ATOM 0 HA3 GLY A 78 -2.046 -4.811 -2.306 1.00 1.25 H new ATOM 1157 N ASN A 79 1.277 -4.526 -2.427 1.00 0.89 N ATOM 1158 CA ASN A 79 2.443 -4.199 -1.615 1.00 1.02 C ATOM 1159 C ASN A 79 3.510 -3.522 -2.477 1.00 1.23 C ATOM 1160 O ASN A 79 4.407 -4.179 -2.996 1.00 2.09 O ATOM 1161 CB ASN A 79 2.941 -5.487 -0.927 1.00 1.16 C ATOM 1162 CG ASN A 79 1.797 -6.271 -0.281 1.00 1.59 C ATOM 1163 OD1 ASN A 79 1.605 -7.455 -0.535 1.00 2.94 O ATOM 1164 ND2 ASN A 79 0.939 -5.610 0.483 1.00 0.98 N ATOM 0 H ASN A 79 1.509 -4.908 -3.344 1.00 0.89 H new ATOM 0 HA ASN A 79 2.187 -3.484 -0.833 1.00 1.02 H new ATOM 0 HB2 ASN A 79 3.444 -6.118 -1.660 1.00 1.16 H new ATOM 0 HB3 ASN A 79 3.679 -5.230 -0.167 1.00 1.16 H new ATOM 0 HD21 ASN A 79 0.119 -6.086 0.859 1.00 0.98 H new ATOM 0 HD22 ASN A 79 1.098 -4.625 0.695 1.00 0.98 H new ATOM 1171 N GLY A 80 3.394 -2.200 -2.638 1.00 0.86 N ATOM 1172 CA GLY A 80 4.276 -1.383 -3.452 1.00 0.96 C ATOM 1173 C GLY A 80 5.199 -0.582 -2.544 1.00 0.87 C ATOM 1174 O GLY A 80 4.738 0.005 -1.572 1.00 0.99 O ATOM 0 H GLY A 80 2.656 -1.659 -2.187 1.00 0.86 H new ATOM 0 HA2 GLY A 80 4.862 -2.014 -4.120 1.00 0.96 H new ATOM 0 HA3 GLY A 80 3.691 -0.711 -4.080 1.00 0.96 H new ATOM 1178 N LYS A 81 6.504 -0.579 -2.813 1.00 0.83 N ATOM 1179 CA LYS A 81 7.470 -0.136 -1.812 1.00 0.78 C ATOM 1180 C LYS A 81 7.731 1.373 -1.849 1.00 0.82 C ATOM 1181 O LYS A 81 7.651 2.009 -2.903 1.00 0.94 O ATOM 1182 CB LYS A 81 8.741 -0.989 -1.823 1.00 0.89 C ATOM 1183 CG LYS A 81 9.768 -0.740 -2.932 1.00 1.14 C ATOM 1184 CD LYS A 81 11.005 -1.576 -2.564 1.00 1.91 C ATOM 1185 CE LYS A 81 12.217 -1.279 -3.450 1.00 2.77 C ATOM 1186 NZ LYS A 81 13.469 -1.726 -2.809 1.00 3.91 N ATOM 0 H LYS A 81 6.911 -0.873 -3.701 1.00 0.83 H new ATOM 0 HA LYS A 81 7.010 -0.305 -0.839 1.00 0.78 H new ATOM 0 HB2 LYS A 81 9.244 -0.850 -0.866 1.00 0.89 H new ATOM 0 HB3 LYS A 81 8.440 -2.035 -1.876 1.00 0.89 H new ATOM 0 HG2 LYS A 81 9.372 -1.037 -3.903 1.00 1.14 H new ATOM 0 HG3 LYS A 81 10.019 0.318 -3.000 1.00 1.14 H new ATOM 0 HD2 LYS A 81 11.268 -1.386 -1.523 1.00 1.91 H new ATOM 0 HD3 LYS A 81 10.757 -2.635 -2.642 1.00 1.91 H new ATOM 0 HE2 LYS A 81 12.099 -1.779 -4.411 1.00 2.77 H new ATOM 0 HE3 LYS A 81 12.270 -0.209 -3.651 1.00 2.77 H new ATOM 0 HZ1 LYS A 81 14.272 -1.206 -3.216 1.00 3.91 H new ATOM 0 HZ2 LYS A 81 13.420 -1.542 -1.787 1.00 3.91 H new ATOM 0 HZ3 LYS A 81 13.598 -2.745 -2.972 1.00 3.91 H new ATOM 1200 N ILE A 82 8.027 1.916 -0.657 1.00 0.84 N ATOM 1201 CA ILE A 82 8.120 3.330 -0.326 1.00 0.89 C ATOM 1202 C ILE A 82 9.610 3.638 -0.132 1.00 0.85 C ATOM 1203 O ILE A 82 10.054 4.098 0.930 1.00 1.01 O ATOM 1204 CB ILE A 82 7.274 3.576 0.948 1.00 1.04 C ATOM 1205 CG1 ILE A 82 5.831 3.058 0.794 1.00 1.71 C ATOM 1206 CG2 ILE A 82 7.221 5.052 1.358 1.00 1.40 C ATOM 1207 CD1 ILE A 82 5.007 3.250 2.073 1.00 2.05 C ATOM 0 H ILE A 82 8.220 1.327 0.153 1.00 0.84 H new ATOM 0 HA ILE A 82 7.731 3.989 -1.102 1.00 0.89 H new ATOM 0 HB ILE A 82 7.783 3.016 1.732 1.00 1.04 H new ATOM 0 HG12 ILE A 82 5.346 3.580 -0.031 1.00 1.71 H new ATOM 0 HG13 ILE A 82 5.853 2.000 0.533 1.00 1.71 H new ATOM 0 HG21 ILE A 82 6.614 5.158 2.257 1.00 1.40 H new ATOM 0 HG22 ILE A 82 8.231 5.411 1.558 1.00 1.40 H new ATOM 0 HG23 ILE A 82 6.781 5.638 0.551 1.00 1.40 H new ATOM 0 HD11 ILE A 82 3.998 2.870 1.916 1.00 2.05 H new ATOM 0 HD12 ILE A 82 5.476 2.706 2.893 1.00 2.05 H new ATOM 0 HD13 ILE A 82 4.961 4.311 2.320 1.00 2.05 H new ATOM 1219 N GLU A 83 10.387 3.404 -1.194 1.00 1.22 N ATOM 1220 CA GLU A 83 11.841 3.540 -1.184 1.00 1.36 C ATOM 1221 C GLU A 83 12.232 4.788 -1.967 1.00 1.65 C ATOM 1222 O GLU A 83 12.815 4.711 -3.045 1.00 2.45 O ATOM 1223 CB GLU A 83 12.442 2.246 -1.738 1.00 1.67 C ATOM 1224 CG GLU A 83 13.951 2.165 -1.483 1.00 1.78 C ATOM 1225 CD GLU A 83 14.424 0.747 -1.747 1.00 2.36 C ATOM 1226 OE1 GLU A 83 14.133 -0.128 -0.903 1.00 3.65 O ATOM 1227 OE2 GLU A 83 14.865 0.446 -2.880 1.00 2.46 O ATOM 0 H GLU A 83 10.015 3.110 -2.097 1.00 1.22 H new ATOM 0 HA GLU A 83 12.236 3.677 -0.177 1.00 1.36 H new ATOM 0 HB2 GLU A 83 11.949 1.390 -1.277 1.00 1.67 H new ATOM 0 HB3 GLU A 83 12.251 2.186 -2.809 1.00 1.67 H new ATOM 0 HG2 GLU A 83 14.480 2.864 -2.130 1.00 1.78 H new ATOM 0 HG3 GLU A 83 14.175 2.451 -0.455 1.00 1.78 H new ATOM 1234 N HIS A 84 11.801 5.944 -1.463 1.00 1.39 N ATOM 1235 CA HIS A 84 12.193 7.235 -1.998 1.00 1.31 C ATOM 1236 C HIS A 84 12.017 8.302 -0.920 1.00 1.60 C ATOM 1237 O HIS A 84 11.151 9.163 -1.046 1.00 2.63 O ATOM 1238 CB HIS A 84 11.358 7.504 -3.252 1.00 2.01 C ATOM 1239 CG HIS A 84 11.608 8.827 -3.929 1.00 2.04 C ATOM 1240 ND1 HIS A 84 12.781 9.227 -4.530 1.00 3.07 N ATOM 1241 CD2 HIS A 84 10.676 9.809 -4.140 1.00 2.34 C ATOM 1242 CE1 HIS A 84 12.552 10.429 -5.092 1.00 3.93 C ATOM 1243 NE2 HIS A 84 11.280 10.820 -4.893 1.00 3.63 N ATOM 0 H HIS A 84 11.166 6.005 -0.667 1.00 1.39 H new ATOM 0 HA HIS A 84 13.244 7.252 -2.286 1.00 1.31 H new ATOM 0 HB2 HIS A 84 11.547 6.707 -3.971 1.00 2.01 H new ATOM 0 HB3 HIS A 84 10.303 7.447 -2.984 1.00 2.01 H new ATOM 0 HD2 HIS A 84 9.655 9.803 -3.787 1.00 2.34 H new ATOM 0 HE1 HIS A 84 13.291 11.003 -5.631 1.00 3.93 H new ATOM 0 HE2 HIS A 84 10.844 11.681 -5.225 1.00 3.63 H new ATOM 1251 N LEU A 85 12.787 8.206 0.167 1.00 1.12 N ATOM 1252 CA LEU A 85 12.686 9.138 1.283 1.00 1.25 C ATOM 1253 C LEU A 85 14.034 9.699 1.694 1.00 1.32 C ATOM 1254 O LEU A 85 15.072 9.068 1.501 1.00 1.38 O ATOM 1255 CB LEU A 85 11.985 8.486 2.476 1.00 1.25 C ATOM 1256 CG LEU A 85 10.471 8.460 2.251 1.00 1.34 C ATOM 1257 CD1 LEU A 85 9.799 7.422 3.155 1.00 1.67 C ATOM 1258 CD2 LEU A 85 9.855 9.835 2.523 1.00 1.74 C ATOM 0 H LEU A 85 13.494 7.482 0.294 1.00 1.12 H new ATOM 0 HA LEU A 85 12.083 9.978 0.939 1.00 1.25 H new ATOM 0 HB2 LEU A 85 12.357 7.471 2.615 1.00 1.25 H new ATOM 0 HB3 LEU A 85 12.215 9.037 3.388 1.00 1.25 H new ATOM 0 HG LEU A 85 10.302 8.189 1.209 1.00 1.34 H new ATOM 0 HD11 LEU A 85 8.724 7.424 2.975 1.00 1.67 H new ATOM 0 HD12 LEU A 85 10.202 6.433 2.935 1.00 1.67 H new ATOM 0 HD13 LEU A 85 9.993 7.669 4.199 1.00 1.67 H new ATOM 0 HD21 LEU A 85 8.779 9.791 2.356 1.00 1.74 H new ATOM 0 HD22 LEU A 85 10.051 10.124 3.556 1.00 1.74 H new ATOM 0 HD23 LEU A 85 10.296 10.571 1.851 1.00 1.74 H new ATOM 1270 N LYS A 86 13.968 10.904 2.277 1.00 1.60 N ATOM 1271 CA LYS A 86 15.092 11.769 2.581 1.00 1.87 C ATOM 1272 C LYS A 86 16.173 11.079 3.420 1.00 1.69 C ATOM 1273 O LYS A 86 17.342 11.439 3.321 1.00 1.99 O ATOM 1274 CB LYS A 86 14.599 13.094 3.205 1.00 2.28 C ATOM 1275 CG LYS A 86 13.869 12.972 4.561 1.00 2.08 C ATOM 1276 CD LYS A 86 12.325 13.063 4.526 1.00 3.26 C ATOM 1277 CE LYS A 86 11.792 14.525 4.649 1.00 4.10 C ATOM 1278 NZ LYS A 86 10.314 14.712 4.842 1.00 5.44 N ATOM 0 H LYS A 86 13.078 11.313 2.560 1.00 1.60 H new ATOM 0 HA LYS A 86 15.585 12.009 1.639 1.00 1.87 H new ATOM 0 HB2 LYS A 86 15.457 13.753 3.335 1.00 2.28 H new ATOM 0 HB3 LYS A 86 13.928 13.579 2.496 1.00 2.28 H new ATOM 0 HG2 LYS A 86 14.144 12.018 5.012 1.00 2.08 H new ATOM 0 HG3 LYS A 86 14.242 13.756 5.221 1.00 2.08 H new ATOM 0 HD2 LYS A 86 11.963 12.628 3.594 1.00 3.26 H new ATOM 0 HD3 LYS A 86 11.914 12.464 5.338 1.00 3.26 H new ATOM 0 HE2 LYS A 86 12.303 15.000 5.487 1.00 4.10 H new ATOM 0 HE3 LYS A 86 12.085 15.066 3.749 1.00 4.10 H new ATOM 0 HZ1 LYS A 86 10.029 15.638 4.464 1.00 5.44 H new ATOM 0 HZ2 LYS A 86 9.800 13.960 4.339 1.00 5.44 H new ATOM 0 HZ3 LYS A 86 10.088 14.667 5.856 1.00 5.44 H new ATOM 1292 N SER A 87 15.774 10.123 4.264 1.00 1.33 N ATOM 1293 CA SER A 87 16.661 9.473 5.226 1.00 1.28 C ATOM 1294 C SER A 87 16.521 7.942 5.106 1.00 1.07 C ATOM 1295 O SER A 87 15.439 7.463 4.764 1.00 0.97 O ATOM 1296 CB SER A 87 16.328 10.054 6.606 1.00 1.51 C ATOM 1297 OG SER A 87 17.264 9.683 7.587 1.00 1.46 O ATOM 0 H SER A 87 14.815 9.777 4.297 1.00 1.33 H new ATOM 0 HA SER A 87 17.717 9.668 5.037 1.00 1.28 H new ATOM 0 HB2 SER A 87 16.289 11.141 6.539 1.00 1.51 H new ATOM 0 HB3 SER A 87 15.337 9.717 6.909 1.00 1.51 H new ATOM 0 HG SER A 87 16.817 9.159 8.284 1.00 1.46 H new ATOM 1303 N PRO A 88 17.603 7.156 5.271 1.00 1.17 N ATOM 1304 CA PRO A 88 17.630 5.752 4.878 1.00 1.15 C ATOM 1305 C PRO A 88 16.608 4.911 5.641 1.00 1.12 C ATOM 1306 O PRO A 88 15.769 4.266 5.015 1.00 1.35 O ATOM 1307 CB PRO A 88 19.069 5.264 5.084 1.00 1.46 C ATOM 1308 CG PRO A 88 19.676 6.296 6.030 1.00 1.62 C ATOM 1309 CD PRO A 88 18.922 7.580 5.703 1.00 1.44 C ATOM 0 HA PRO A 88 17.340 5.643 3.833 1.00 1.15 H new ATOM 0 HB2 PRO A 88 19.093 4.263 5.516 1.00 1.46 H new ATOM 0 HB3 PRO A 88 19.614 5.218 4.141 1.00 1.46 H new ATOM 0 HG2 PRO A 88 19.543 6.009 7.073 1.00 1.62 H new ATOM 0 HG3 PRO A 88 20.747 6.408 5.864 1.00 1.62 H new ATOM 0 HD2 PRO A 88 18.859 8.231 6.575 1.00 1.44 H new ATOM 0 HD3 PRO A 88 19.429 8.144 4.920 1.00 1.44 H new ATOM 1317 N GLU A 89 16.666 4.905 6.972 1.00 1.12 N ATOM 1318 CA GLU A 89 15.694 4.214 7.816 1.00 1.22 C ATOM 1319 C GLU A 89 14.248 4.551 7.424 1.00 1.13 C ATOM 1320 O GLU A 89 13.394 3.668 7.396 1.00 1.44 O ATOM 1321 CB GLU A 89 15.991 4.459 9.309 1.00 1.41 C ATOM 1322 CG GLU A 89 15.749 5.896 9.796 1.00 2.60 C ATOM 1323 CD GLU A 89 16.427 6.906 8.897 1.00 2.84 C ATOM 1324 OE1 GLU A 89 15.697 7.656 8.217 1.00 3.96 O ATOM 1325 OE2 GLU A 89 17.660 6.813 8.736 1.00 3.04 O ATOM 0 H GLU A 89 17.396 5.384 7.499 1.00 1.12 H new ATOM 0 HA GLU A 89 15.799 3.143 7.646 1.00 1.22 H new ATOM 0 HB2 GLU A 89 15.375 3.783 9.901 1.00 1.41 H new ATOM 0 HB3 GLU A 89 17.031 4.196 9.504 1.00 1.41 H new ATOM 0 HG2 GLU A 89 14.678 6.096 9.827 1.00 2.60 H new ATOM 0 HG3 GLU A 89 16.123 6.004 10.814 1.00 2.60 H new ATOM 1332 N LEU A 90 13.981 5.821 7.096 1.00 1.11 N ATOM 1333 CA LEU A 90 12.683 6.269 6.613 1.00 1.03 C ATOM 1334 C LEU A 90 12.197 5.493 5.380 1.00 0.85 C ATOM 1335 O LEU A 90 10.989 5.334 5.220 1.00 0.94 O ATOM 1336 CB LEU A 90 12.698 7.786 6.331 1.00 1.04 C ATOM 1337 CG LEU A 90 11.932 8.663 7.331 1.00 1.40 C ATOM 1338 CD1 LEU A 90 10.432 8.354 7.345 1.00 1.75 C ATOM 1339 CD2 LEU A 90 12.539 8.590 8.735 1.00 2.01 C ATOM 0 H LEU A 90 14.672 6.569 7.162 1.00 1.11 H new ATOM 0 HA LEU A 90 11.969 6.062 7.410 1.00 1.03 H new ATOM 0 HB2 LEU A 90 13.735 8.120 6.305 1.00 1.04 H new ATOM 0 HB3 LEU A 90 12.283 7.955 5.337 1.00 1.04 H new ATOM 0 HG LEU A 90 12.037 9.692 6.987 1.00 1.40 H new ATOM 0 HD11 LEU A 90 9.934 9.000 8.068 1.00 1.75 H new ATOM 0 HD12 LEU A 90 10.015 8.530 6.353 1.00 1.75 H new ATOM 0 HD13 LEU A 90 10.278 7.312 7.624 1.00 1.75 H new ATOM 0 HD21 LEU A 90 11.967 9.225 9.412 1.00 2.01 H new ATOM 0 HD22 LEU A 90 12.509 7.560 9.091 1.00 2.01 H new ATOM 0 HD23 LEU A 90 13.573 8.933 8.703 1.00 2.01 H new ATOM 1351 N ASN A 91 13.086 5.048 4.482 1.00 0.78 N ATOM 1352 CA ASN A 91 12.681 4.314 3.291 1.00 0.72 C ATOM 1353 C ASN A 91 12.035 2.990 3.708 1.00 0.70 C ATOM 1354 O ASN A 91 12.672 2.163 4.356 1.00 1.14 O ATOM 1355 CB ASN A 91 13.873 4.110 2.349 1.00 0.86 C ATOM 1356 CG ASN A 91 14.274 5.418 1.666 1.00 1.07 C ATOM 1357 OD1 ASN A 91 13.967 5.640 0.498 1.00 1.87 O ATOM 1358 ND2 ASN A 91 14.919 6.335 2.378 1.00 0.97 N ATOM 0 H ASN A 91 14.093 5.188 4.565 1.00 0.78 H new ATOM 0 HA ASN A 91 11.941 4.891 2.736 1.00 0.72 H new ATOM 0 HB2 ASN A 91 14.720 3.717 2.911 1.00 0.86 H new ATOM 0 HB3 ASN A 91 13.619 3.366 1.594 1.00 0.86 H new ATOM 0 HD21 ASN A 91 15.163 7.231 1.955 1.00 0.97 H new ATOM 0 HD22 ASN A 91 15.171 6.144 3.348 1.00 0.97 H new ATOM 1365 N VAL A 92 10.757 2.813 3.369 1.00 0.62 N ATOM 1366 CA VAL A 92 9.918 1.723 3.854 1.00 0.59 C ATOM 1367 C VAL A 92 9.682 0.712 2.731 1.00 0.58 C ATOM 1368 O VAL A 92 9.467 1.103 1.581 1.00 0.82 O ATOM 1369 CB VAL A 92 8.596 2.306 4.402 1.00 0.63 C ATOM 1370 CG1 VAL A 92 7.421 1.323 4.340 1.00 0.94 C ATOM 1371 CG2 VAL A 92 8.740 2.737 5.861 1.00 0.90 C ATOM 0 H VAL A 92 10.267 3.442 2.733 1.00 0.62 H new ATOM 0 HA VAL A 92 10.414 1.194 4.667 1.00 0.59 H new ATOM 0 HB VAL A 92 8.384 3.157 3.755 1.00 0.63 H new ATOM 0 HG11 VAL A 92 6.526 1.800 4.741 1.00 0.94 H new ATOM 0 HG12 VAL A 92 7.244 1.032 3.305 1.00 0.94 H new ATOM 0 HG13 VAL A 92 7.656 0.437 4.931 1.00 0.94 H new ATOM 0 HG21 VAL A 92 7.792 3.143 6.216 1.00 0.90 H new ATOM 0 HG22 VAL A 92 9.017 1.876 6.469 1.00 0.90 H new ATOM 0 HG23 VAL A 92 9.514 3.501 5.940 1.00 0.90 H new ATOM 1381 N ASP A 93 9.646 -0.579 3.075 1.00 0.50 N ATOM 1382 CA ASP A 93 9.080 -1.605 2.207 1.00 0.48 C ATOM 1383 C ASP A 93 7.903 -2.247 2.935 1.00 0.51 C ATOM 1384 O ASP A 93 7.788 -2.143 4.157 1.00 0.59 O ATOM 1385 CB ASP A 93 10.154 -2.622 1.794 1.00 0.54 C ATOM 1386 CG ASP A 93 9.825 -3.300 0.470 1.00 1.13 C ATOM 1387 OD1 ASP A 93 10.788 -3.605 -0.268 1.00 1.70 O ATOM 1388 OD2 ASP A 93 8.615 -3.457 0.193 1.00 2.24 O ATOM 0 H ASP A 93 10.007 -0.937 3.959 1.00 0.50 H new ATOM 0 HA ASP A 93 8.715 -1.166 1.278 1.00 0.48 H new ATOM 0 HB2 ASP A 93 11.117 -2.118 1.713 1.00 0.54 H new ATOM 0 HB3 ASP A 93 10.254 -3.378 2.573 1.00 0.54 H new ATOM 1393 N LEU A 94 6.992 -2.847 2.179 1.00 0.64 N ATOM 1394 CA LEU A 94 5.719 -3.355 2.662 1.00 0.72 C ATOM 1395 C LEU A 94 5.772 -4.880 2.693 1.00 0.83 C ATOM 1396 O LEU A 94 6.344 -5.496 1.796 1.00 1.10 O ATOM 1397 CB LEU A 94 4.587 -2.855 1.755 1.00 1.09 C ATOM 1398 CG LEU A 94 4.566 -1.328 1.559 1.00 0.97 C ATOM 1399 CD1 LEU A 94 3.275 -0.897 0.864 1.00 1.19 C ATOM 1400 CD2 LEU A 94 4.641 -0.560 2.875 1.00 1.61 C ATOM 0 H LEU A 94 7.126 -2.997 1.179 1.00 0.64 H new ATOM 0 HA LEU A 94 5.526 -2.993 3.672 1.00 0.72 H new ATOM 0 HB2 LEU A 94 4.678 -3.334 0.780 1.00 1.09 H new ATOM 0 HB3 LEU A 94 3.632 -3.170 2.177 1.00 1.09 H new ATOM 0 HG LEU A 94 5.445 -1.096 0.957 1.00 0.97 H new ATOM 0 HD11 LEU A 94 3.276 0.185 0.733 1.00 1.19 H new ATOM 0 HD12 LEU A 94 3.208 -1.380 -0.111 1.00 1.19 H new ATOM 0 HD13 LEU A 94 2.419 -1.188 1.473 1.00 1.19 H new ATOM 0 HD21 LEU A 94 4.622 0.511 2.673 1.00 1.61 H new ATOM 0 HD22 LEU A 94 3.789 -0.826 3.501 1.00 1.61 H new ATOM 0 HD23 LEU A 94 5.565 -0.815 3.393 1.00 1.61 H new ATOM 1412 N ALA A 95 5.156 -5.508 3.697 1.00 0.86 N ATOM 1413 CA ALA A 95 5.156 -6.962 3.765 1.00 1.09 C ATOM 1414 C ALA A 95 4.140 -7.496 2.756 1.00 1.01 C ATOM 1415 O ALA A 95 3.190 -6.794 2.406 1.00 0.86 O ATOM 1416 CB ALA A 95 4.794 -7.407 5.182 1.00 1.29 C ATOM 0 H ALA A 95 4.662 -5.040 4.457 1.00 0.86 H new ATOM 0 HA ALA A 95 6.144 -7.355 3.524 1.00 1.09 H new ATOM 0 HB1 ALA A 95 4.794 -8.496 5.233 1.00 1.29 H new ATOM 0 HB2 ALA A 95 5.526 -7.011 5.886 1.00 1.29 H new ATOM 0 HB3 ALA A 95 3.803 -7.032 5.439 1.00 1.29 H new ATOM 1422 N ALA A 96 4.321 -8.739 2.294 1.00 1.26 N ATOM 1423 CA ALA A 96 3.412 -9.307 1.312 1.00 1.29 C ATOM 1424 C ALA A 96 2.126 -9.700 2.035 1.00 1.11 C ATOM 1425 O ALA A 96 2.182 -10.407 3.039 1.00 1.61 O ATOM 1426 CB ALA A 96 4.021 -10.501 0.578 1.00 1.67 C ATOM 0 H ALA A 96 5.079 -9.357 2.584 1.00 1.26 H new ATOM 0 HA ALA A 96 3.203 -8.563 0.544 1.00 1.29 H new ATOM 0 HB1 ALA A 96 3.303 -10.889 -0.144 1.00 1.67 H new ATOM 0 HB2 ALA A 96 4.925 -10.185 0.057 1.00 1.67 H new ATOM 0 HB3 ALA A 96 4.270 -11.281 1.297 1.00 1.67 H new ATOM 1432 N ALA A 97 0.979 -9.204 1.564 1.00 0.72 N ATOM 1433 CA ALA A 97 -0.294 -9.356 2.253 1.00 0.62 C ATOM 1434 C ALA A 97 -1.429 -9.359 1.237 1.00 0.67 C ATOM 1435 O ALA A 97 -1.565 -8.418 0.455 1.00 1.08 O ATOM 1436 CB ALA A 97 -0.486 -8.232 3.272 1.00 0.81 C ATOM 0 H ALA A 97 0.913 -8.684 0.689 1.00 0.72 H new ATOM 0 HA ALA A 97 -0.299 -10.305 2.790 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -1.443 -8.360 3.779 1.00 0.81 H new ATOM 0 HB2 ALA A 97 0.320 -8.264 4.005 1.00 0.81 H new ATOM 0 HB3 ALA A 97 -0.473 -7.270 2.760 1.00 0.81 H new ATOM 1442 N ASP A 98 -2.222 -10.428 1.268 1.00 0.60 N ATOM 1443 CA ASP A 98 -3.357 -10.688 0.401 1.00 0.73 C ATOM 1444 C ASP A 98 -4.574 -9.892 0.878 1.00 0.82 C ATOM 1445 O ASP A 98 -4.545 -9.229 1.917 1.00 1.16 O ATOM 1446 CB ASP A 98 -3.684 -12.184 0.497 1.00 1.00 C ATOM 1447 CG ASP A 98 -4.093 -12.522 1.926 1.00 2.37 C ATOM 1448 OD1 ASP A 98 -3.172 -12.491 2.774 1.00 3.17 O ATOM 1449 OD2 ASP A 98 -5.305 -12.721 2.151 1.00 3.52 O ATOM 0 H ASP A 98 -2.076 -11.179 1.943 1.00 0.60 H new ATOM 0 HA ASP A 98 -3.118 -10.398 -0.622 1.00 0.73 H new ATOM 0 HB2 ASP A 98 -4.489 -12.437 -0.193 1.00 1.00 H new ATOM 0 HB3 ASP A 98 -2.817 -12.777 0.205 1.00 1.00 H new ATOM 1454 N ILE A 99 -5.653 -9.975 0.098 1.00 0.75 N ATOM 1455 CA ILE A 99 -6.935 -9.340 0.348 1.00 0.82 C ATOM 1456 C ILE A 99 -7.983 -10.428 0.599 1.00 1.07 C ATOM 1457 O ILE A 99 -8.727 -10.840 -0.288 1.00 1.51 O ATOM 1458 CB ILE A 99 -7.269 -8.362 -0.792 1.00 0.73 C ATOM 1459 CG1 ILE A 99 -8.730 -7.930 -0.797 1.00 0.90 C ATOM 1460 CG2 ILE A 99 -6.854 -8.899 -2.159 1.00 1.11 C ATOM 1461 CD1 ILE A 99 -8.830 -6.514 -1.357 1.00 1.13 C ATOM 0 H ILE A 99 -5.650 -10.516 -0.767 1.00 0.75 H new ATOM 0 HA ILE A 99 -6.913 -8.725 1.248 1.00 0.82 H new ATOM 0 HB ILE A 99 -6.674 -7.471 -0.592 1.00 0.73 H new ATOM 0 HG12 ILE A 99 -9.323 -8.616 -1.402 1.00 0.90 H new ATOM 0 HG13 ILE A 99 -9.136 -7.964 0.214 1.00 0.90 H new ATOM 0 HG21 ILE A 99 -7.111 -8.172 -2.929 1.00 1.11 H new ATOM 0 HG22 ILE A 99 -5.778 -9.074 -2.170 1.00 1.11 H new ATOM 0 HG23 ILE A 99 -7.376 -9.836 -2.356 1.00 1.11 H new ATOM 0 HD11 ILE A 99 -9.873 -6.198 -1.364 1.00 1.13 H new ATOM 0 HD12 ILE A 99 -8.249 -5.834 -0.734 1.00 1.13 H new ATOM 0 HD13 ILE A 99 -8.439 -6.497 -2.374 1.00 1.13 H new ATOM 1473 N LYS A 100 -8.025 -10.869 1.854 1.00 1.45 N ATOM 1474 CA LYS A 100 -9.028 -11.761 2.414 1.00 1.87 C ATOM 1475 C LYS A 100 -10.451 -11.235 2.163 1.00 1.58 C ATOM 1476 O LYS A 100 -10.656 -10.022 2.124 1.00 2.65 O ATOM 1477 CB LYS A 100 -8.749 -11.950 3.912 1.00 2.97 C ATOM 1478 CG LYS A 100 -8.263 -10.668 4.611 1.00 4.66 C ATOM 1479 CD LYS A 100 -9.043 -10.374 5.887 1.00 5.68 C ATOM 1480 CE LYS A 100 -10.419 -9.795 5.533 1.00 6.91 C ATOM 1481 NZ LYS A 100 -11.098 -9.213 6.704 1.00 8.35 N ATOM 0 H LYS A 100 -7.322 -10.597 2.541 1.00 1.45 H new ATOM 0 HA LYS A 100 -8.965 -12.729 1.917 1.00 1.87 H new ATOM 0 HB2 LYS A 100 -9.658 -12.299 4.402 1.00 2.97 H new ATOM 0 HB3 LYS A 100 -7.999 -12.730 4.038 1.00 2.97 H new ATOM 0 HG2 LYS A 100 -7.204 -10.766 4.850 1.00 4.66 H new ATOM 0 HG3 LYS A 100 -8.359 -9.825 3.927 1.00 4.66 H new ATOM 0 HD2 LYS A 100 -9.162 -11.287 6.470 1.00 5.68 H new ATOM 0 HD3 LYS A 100 -8.490 -9.669 6.508 1.00 5.68 H new ATOM 0 HE2 LYS A 100 -10.302 -9.030 4.766 1.00 6.91 H new ATOM 0 HE3 LYS A 100 -11.043 -10.581 5.107 1.00 6.91 H new ATOM 0 HZ1 LYS A 100 -11.620 -8.361 6.415 1.00 8.35 H new ATOM 0 HZ2 LYS A 100 -11.762 -9.908 7.101 1.00 8.35 H new ATOM 0 HZ3 LYS A 100 -10.392 -8.959 7.424 1.00 8.35 H new ATOM 1495 N PRO A 101 -11.453 -12.115 2.012 1.00 1.47 N ATOM 1496 CA PRO A 101 -12.782 -11.729 1.568 1.00 2.06 C ATOM 1497 C PRO A 101 -13.576 -10.973 2.643 1.00 1.60 C ATOM 1498 O PRO A 101 -14.445 -11.535 3.305 1.00 2.58 O ATOM 1499 CB PRO A 101 -13.461 -13.035 1.138 1.00 3.61 C ATOM 1500 CG PRO A 101 -12.781 -14.086 2.013 1.00 3.87 C ATOM 1501 CD PRO A 101 -11.346 -13.565 2.077 1.00 2.57 C ATOM 0 HA PRO A 101 -12.730 -11.018 0.743 1.00 2.06 H new ATOM 0 HB2 PRO A 101 -14.537 -13.004 1.308 1.00 3.61 H new ATOM 0 HB3 PRO A 101 -13.312 -13.236 0.077 1.00 3.61 H new ATOM 0 HG2 PRO A 101 -13.236 -14.151 3.001 1.00 3.87 H new ATOM 0 HG3 PRO A 101 -12.835 -15.081 1.572 1.00 3.87 H new ATOM 0 HD2 PRO A 101 -10.855 -13.881 2.997 1.00 2.57 H new ATOM 0 HD3 PRO A 101 -10.751 -13.952 1.249 1.00 2.57 H new ATOM 1509 N ASP A 102 -13.357 -9.657 2.744 1.00 1.44 N ATOM 1510 CA ASP A 102 -14.296 -8.740 3.400 1.00 1.80 C ATOM 1511 C ASP A 102 -15.644 -8.674 2.660 1.00 1.70 C ATOM 1512 O ASP A 102 -16.589 -8.059 3.162 1.00 2.82 O ATOM 1513 CB ASP A 102 -13.722 -7.320 3.483 1.00 2.60 C ATOM 1514 CG ASP A 102 -12.466 -7.199 4.318 1.00 3.89 C ATOM 1515 OD1 ASP A 102 -12.572 -7.468 5.535 1.00 5.05 O ATOM 1516 OD2 ASP A 102 -11.416 -6.855 3.733 1.00 4.59 O ATOM 0 H ASP A 102 -12.525 -9.198 2.374 1.00 1.44 H new ATOM 0 HA ASP A 102 -14.455 -9.135 4.404 1.00 1.80 H new ATOM 0 HB2 ASP A 102 -13.507 -6.969 2.474 1.00 2.60 H new ATOM 0 HB3 ASP A 102 -14.483 -6.658 3.896 1.00 2.60 H new ATOM 1521 N GLY A 103 -15.737 -9.245 1.451 1.00 1.65 N ATOM 1522 CA GLY A 103 -16.980 -9.395 0.706 1.00 2.27 C ATOM 1523 C GLY A 103 -17.637 -8.046 0.445 1.00 1.92 C ATOM 1524 O GLY A 103 -18.711 -7.762 0.983 1.00 2.82 O ATOM 0 H GLY A 103 -14.927 -9.622 0.959 1.00 1.65 H new ATOM 0 HA2 GLY A 103 -16.780 -9.894 -0.242 1.00 2.27 H new ATOM 0 HA3 GLY A 103 -17.665 -10.034 1.263 1.00 2.27 H new ATOM 1528 N LYS A 104 -16.975 -7.176 -0.322 1.00 1.42 N ATOM 1529 CA LYS A 104 -17.409 -5.796 -0.451 1.00 1.72 C ATOM 1530 C LYS A 104 -17.011 -5.186 -1.796 1.00 1.77 C ATOM 1531 O LYS A 104 -16.306 -4.183 -1.859 1.00 2.77 O ATOM 1532 CB LYS A 104 -16.834 -4.999 0.721 1.00 2.22 C ATOM 1533 CG LYS A 104 -17.762 -3.826 1.013 1.00 2.84 C ATOM 1534 CD LYS A 104 -18.994 -4.187 1.870 1.00 2.87 C ATOM 1535 CE LYS A 104 -18.722 -4.851 3.236 1.00 3.74 C ATOM 1536 NZ LYS A 104 -18.572 -6.327 3.180 1.00 4.65 N ATOM 0 H LYS A 104 -16.140 -7.409 -0.859 1.00 1.42 H new ATOM 0 HA LYS A 104 -18.498 -5.761 -0.423 1.00 1.72 H new ATOM 0 HB2 LYS A 104 -16.740 -5.635 1.601 1.00 2.22 H new ATOM 0 HB3 LYS A 104 -15.834 -4.639 0.479 1.00 2.22 H new ATOM 0 HG2 LYS A 104 -17.195 -3.048 1.523 1.00 2.84 H new ATOM 0 HG3 LYS A 104 -18.103 -3.404 0.068 1.00 2.84 H new ATOM 0 HD2 LYS A 104 -19.566 -3.275 2.043 1.00 2.87 H new ATOM 0 HD3 LYS A 104 -19.628 -4.855 1.288 1.00 2.87 H new ATOM 0 HE2 LYS A 104 -17.815 -4.421 3.661 1.00 3.74 H new ATOM 0 HE3 LYS A 104 -19.539 -4.606 3.915 1.00 3.74 H new ATOM 0 HZ1 LYS A 104 -19.195 -6.766 3.887 1.00 4.65 H new ATOM 0 HZ2 LYS A 104 -18.831 -6.667 2.232 1.00 4.65 H new ATOM 0 HZ3 LYS A 104 -17.585 -6.584 3.382 1.00 4.65 H new ATOM 1550 N ARG A 105 -17.471 -5.806 -2.880 1.00 1.60 N ATOM 1551 CA ARG A 105 -17.106 -5.449 -4.248 1.00 1.93 C ATOM 1552 C ARG A 105 -15.591 -5.480 -4.497 1.00 1.97 C ATOM 1553 O ARG A 105 -15.107 -4.875 -5.449 1.00 2.70 O ATOM 1554 CB ARG A 105 -17.693 -4.093 -4.673 1.00 2.20 C ATOM 1555 CG ARG A 105 -19.203 -3.982 -4.436 1.00 2.94 C ATOM 1556 CD ARG A 105 -19.704 -2.661 -5.032 1.00 3.49 C ATOM 1557 NE ARG A 105 -21.157 -2.508 -4.859 1.00 4.67 N ATOM 1558 CZ ARG A 105 -21.869 -1.465 -5.318 1.00 5.59 C ATOM 1559 NH1 ARG A 105 -21.251 -0.476 -5.973 1.00 5.72 N ATOM 1560 NH2 ARG A 105 -23.192 -1.417 -5.120 1.00 6.80 N ATOM 0 H ARG A 105 -18.123 -6.589 -2.830 1.00 1.60 H new ATOM 0 HA ARG A 105 -17.551 -6.223 -4.873 1.00 1.93 H new ATOM 0 HB2 ARG A 105 -17.187 -3.299 -4.124 1.00 2.20 H new ATOM 0 HB3 ARG A 105 -17.486 -3.931 -5.731 1.00 2.20 H new ATOM 0 HG2 ARG A 105 -19.720 -4.824 -4.897 1.00 2.94 H new ATOM 0 HG3 ARG A 105 -19.421 -4.021 -3.369 1.00 2.94 H new ATOM 0 HD2 ARG A 105 -19.190 -1.827 -4.554 1.00 3.49 H new ATOM 0 HD3 ARG A 105 -19.457 -2.622 -6.093 1.00 3.49 H new ATOM 0 HE ARG A 105 -21.657 -3.242 -4.358 1.00 4.67 H new ATOM 0 HH11 ARG A 105 -20.243 -0.515 -6.123 1.00 5.72 H new ATOM 0 HH12 ARG A 105 -21.788 0.317 -6.323 1.00 5.72 H new ATOM 0 HH21 ARG A 105 -23.661 -2.173 -4.620 1.00 6.80 H new ATOM 0 HH22 ARG A 105 -23.731 -0.625 -5.469 1.00 6.80 H new ATOM 1574 N HIS A 106 -14.875 -6.162 -3.604 1.00 1.82 N ATOM 1575 CA HIS A 106 -13.462 -6.110 -3.288 1.00 1.91 C ATOM 1576 C HIS A 106 -13.422 -6.381 -1.781 1.00 2.19 C ATOM 1577 O HIS A 106 -14.346 -7.007 -1.252 1.00 3.93 O ATOM 1578 CB HIS A 106 -12.746 -4.805 -3.707 1.00 2.23 C ATOM 1579 CG HIS A 106 -13.167 -3.529 -3.003 1.00 3.59 C ATOM 1580 ND1 HIS A 106 -12.617 -3.017 -1.844 1.00 4.40 N ATOM 1581 CD2 HIS A 106 -14.041 -2.587 -3.483 1.00 5.04 C ATOM 1582 CE1 HIS A 106 -13.182 -1.820 -1.618 1.00 5.83 C ATOM 1583 NE2 HIS A 106 -14.055 -1.512 -2.588 1.00 6.23 N ATOM 0 H HIS A 106 -15.341 -6.851 -3.013 1.00 1.82 H new ATOM 0 HA HIS A 106 -12.897 -6.844 -3.863 1.00 1.91 H new ATOM 0 HB2 HIS A 106 -11.676 -4.941 -3.550 1.00 2.23 H new ATOM 0 HB3 HIS A 106 -12.896 -4.666 -4.778 1.00 2.23 H new ATOM 0 HD1 HIS A 106 -11.909 -3.467 -1.264 1.00 4.40 H new ATOM 0 HD2 HIS A 106 -14.618 -2.662 -4.393 1.00 5.04 H new ATOM 0 HE1 HIS A 106 -12.963 -1.190 -0.769 1.00 5.83 H new ATOM 1591 N ALA A 107 -12.385 -5.906 -1.102 1.00 1.58 N ATOM 1592 CA ALA A 107 -12.122 -6.078 0.310 1.00 2.40 C ATOM 1593 C ALA A 107 -10.918 -5.181 0.622 1.00 1.93 C ATOM 1594 O ALA A 107 -10.658 -4.276 -0.179 1.00 2.18 O ATOM 1595 CB ALA A 107 -11.882 -7.572 0.549 1.00 3.79 C ATOM 0 H ALA A 107 -11.660 -5.354 -1.560 1.00 1.58 H new ATOM 0 HA ALA A 107 -12.938 -5.787 0.972 1.00 2.40 H new ATOM 0 HB1 ALA A 107 -11.679 -7.743 1.606 1.00 3.79 H new ATOM 0 HB2 ALA A 107 -12.768 -8.135 0.253 1.00 3.79 H new ATOM 0 HB3 ALA A 107 -11.028 -7.902 -0.042 1.00 3.79 H new ATOM 1601 N VAL A 108 -10.168 -5.413 1.706 1.00 1.48 N ATOM 1602 CA VAL A 108 -8.880 -4.750 1.930 1.00 1.16 C ATOM 1603 C VAL A 108 -7.773 -5.757 2.240 1.00 1.09 C ATOM 1604 O VAL A 108 -8.039 -6.851 2.734 1.00 1.30 O ATOM 1605 CB VAL A 108 -8.973 -3.720 3.064 1.00 0.96 C ATOM 1606 CG1 VAL A 108 -9.735 -2.480 2.608 1.00 1.28 C ATOM 1607 CG2 VAL A 108 -9.626 -4.302 4.319 1.00 1.07 C ATOM 0 H VAL A 108 -10.435 -6.061 2.447 1.00 1.48 H new ATOM 0 HA VAL A 108 -8.628 -4.233 1.004 1.00 1.16 H new ATOM 0 HB VAL A 108 -7.952 -3.439 3.321 1.00 0.96 H new ATOM 0 HG11 VAL A 108 -9.788 -1.764 3.428 1.00 1.28 H new ATOM 0 HG12 VAL A 108 -9.218 -2.026 1.763 1.00 1.28 H new ATOM 0 HG13 VAL A 108 -10.744 -2.763 2.307 1.00 1.28 H new ATOM 0 HG21 VAL A 108 -9.670 -3.537 5.094 1.00 1.07 H new ATOM 0 HG22 VAL A 108 -10.636 -4.637 4.082 1.00 1.07 H new ATOM 0 HG23 VAL A 108 -9.038 -5.147 4.676 1.00 1.07 H new ATOM 1617 N ILE A 109 -6.520 -5.352 1.996 1.00 0.98 N ATOM 1618 CA ILE A 109 -5.372 -5.946 2.665 1.00 0.97 C ATOM 1619 C ILE A 109 -5.166 -5.220 3.997 1.00 0.83 C ATOM 1620 O ILE A 109 -5.574 -4.063 4.136 1.00 0.89 O ATOM 1621 CB ILE A 109 -4.092 -5.882 1.804 1.00 1.19 C ATOM 1622 CG1 ILE A 109 -3.450 -4.489 1.867 1.00 2.30 C ATOM 1623 CG2 ILE A 109 -4.357 -6.305 0.355 1.00 1.71 C ATOM 1624 CD1 ILE A 109 -2.329 -4.321 0.849 1.00 2.42 C ATOM 0 H ILE A 109 -6.282 -4.612 1.336 1.00 0.98 H new ATOM 0 HA ILE A 109 -5.572 -7.004 2.834 1.00 0.97 H new ATOM 0 HB ILE A 109 -3.385 -6.597 2.224 1.00 1.19 H new ATOM 0 HG12 ILE A 109 -4.214 -3.731 1.691 1.00 2.30 H new ATOM 0 HG13 ILE A 109 -3.056 -4.318 2.869 1.00 2.30 H new ATOM 0 HG21 ILE A 109 -3.431 -6.246 -0.217 1.00 1.71 H new ATOM 0 HG22 ILE A 109 -4.729 -7.329 0.337 1.00 1.71 H new ATOM 0 HG23 ILE A 109 -5.100 -5.641 -0.088 1.00 1.71 H new ATOM 0 HD11 ILE A 109 -1.908 -3.319 0.934 1.00 2.42 H new ATOM 0 HD12 ILE A 109 -1.550 -5.060 1.040 1.00 2.42 H new ATOM 0 HD13 ILE A 109 -2.726 -4.464 -0.156 1.00 2.42 H new ATOM 1636 N SER A 110 -4.494 -5.883 4.943 1.00 0.92 N ATOM 1637 CA SER A 110 -4.164 -5.351 6.261 1.00 0.99 C ATOM 1638 C SER A 110 -2.688 -5.641 6.562 1.00 1.19 C ATOM 1639 O SER A 110 -2.384 -6.365 7.511 1.00 1.92 O ATOM 1640 CB SER A 110 -5.102 -5.991 7.296 1.00 1.08 C ATOM 1641 OG SER A 110 -4.781 -5.564 8.603 1.00 2.02 O ATOM 0 H SER A 110 -4.156 -6.835 4.804 1.00 0.92 H new ATOM 0 HA SER A 110 -4.304 -4.271 6.298 1.00 0.99 H new ATOM 0 HB2 SER A 110 -6.135 -5.728 7.067 1.00 1.08 H new ATOM 0 HB3 SER A 110 -5.029 -7.077 7.236 1.00 1.08 H new ATOM 0 HG SER A 110 -3.847 -5.787 8.800 1.00 2.02 H new ATOM 1647 N GLY A 111 -1.776 -5.133 5.731 1.00 0.71 N ATOM 1648 CA GLY A 111 -0.370 -5.522 5.779 1.00 0.76 C ATOM 1649 C GLY A 111 0.425 -4.800 6.871 1.00 0.69 C ATOM 1650 O GLY A 111 -0.002 -3.764 7.388 1.00 0.79 O ATOM 0 H GLY A 111 -1.992 -4.444 5.010 1.00 0.71 H new ATOM 0 HA2 GLY A 111 -0.304 -6.598 5.943 1.00 0.76 H new ATOM 0 HA3 GLY A 111 0.089 -5.318 4.811 1.00 0.76 H new ATOM 1654 N SER A 112 1.606 -5.337 7.194 1.00 0.75 N ATOM 1655 CA SER A 112 2.635 -4.678 7.986 1.00 0.64 C ATOM 1656 C SER A 112 3.624 -3.970 7.051 1.00 0.53 C ATOM 1657 O SER A 112 3.656 -4.256 5.848 1.00 0.63 O ATOM 1658 CB SER A 112 3.338 -5.718 8.859 1.00 0.77 C ATOM 1659 OG SER A 112 3.729 -6.829 8.082 1.00 1.97 O ATOM 0 H SER A 112 1.875 -6.275 6.898 1.00 0.75 H new ATOM 0 HA SER A 112 2.190 -3.927 8.638 1.00 0.64 H new ATOM 0 HB2 SER A 112 4.212 -5.273 9.334 1.00 0.77 H new ATOM 0 HB3 SER A 112 2.671 -6.042 9.658 1.00 0.77 H new ATOM 0 HG SER A 112 4.528 -7.239 8.476 1.00 1.97 H new ATOM 1665 N VAL A 113 4.432 -3.046 7.587 1.00 0.48 N ATOM 1666 CA VAL A 113 5.508 -2.407 6.836 1.00 0.42 C ATOM 1667 C VAL A 113 6.810 -2.481 7.623 1.00 0.45 C ATOM 1668 O VAL A 113 6.796 -2.375 8.848 1.00 0.61 O ATOM 1669 CB VAL A 113 5.169 -0.959 6.422 1.00 0.49 C ATOM 1670 CG1 VAL A 113 3.662 -0.700 6.321 1.00 0.63 C ATOM 1671 CG2 VAL A 113 5.815 0.116 7.299 1.00 0.74 C ATOM 0 H VAL A 113 4.354 -2.724 8.552 1.00 0.48 H new ATOM 0 HA VAL A 113 5.633 -2.959 5.904 1.00 0.42 H new ATOM 0 HB VAL A 113 5.607 -0.874 5.428 1.00 0.49 H new ATOM 0 HG11 VAL A 113 3.490 0.335 6.026 1.00 0.63 H new ATOM 0 HG12 VAL A 113 3.227 -1.366 5.576 1.00 0.63 H new ATOM 0 HG13 VAL A 113 3.195 -0.884 7.289 1.00 0.63 H new ATOM 0 HG21 VAL A 113 5.525 1.103 6.938 1.00 0.74 H new ATOM 0 HG22 VAL A 113 5.482 -0.006 8.330 1.00 0.74 H new ATOM 0 HG23 VAL A 113 6.900 0.018 7.255 1.00 0.74 H new ATOM 1681 N LEU A 114 7.922 -2.610 6.899 1.00 0.53 N ATOM 1682 CA LEU A 114 9.280 -2.579 7.408 1.00 0.67 C ATOM 1683 C LEU A 114 9.879 -1.217 7.094 1.00 0.72 C ATOM 1684 O LEU A 114 10.108 -0.856 5.939 1.00 0.79 O ATOM 1685 CB LEU A 114 10.068 -3.736 6.797 1.00 0.93 C ATOM 1686 CG LEU A 114 11.604 -3.619 6.790 1.00 0.84 C ATOM 1687 CD1 LEU A 114 12.226 -4.861 7.430 1.00 1.42 C ATOM 1688 CD2 LEU A 114 12.085 -3.505 5.334 1.00 2.09 C ATOM 0 H LEU A 114 7.890 -2.746 5.889 1.00 0.53 H new ATOM 0 HA LEU A 114 9.310 -2.711 8.490 1.00 0.67 H new ATOM 0 HB2 LEU A 114 9.802 -4.646 7.334 1.00 0.93 H new ATOM 0 HB3 LEU A 114 9.735 -3.864 5.767 1.00 0.93 H new ATOM 0 HG LEU A 114 11.904 -2.738 7.357 1.00 0.84 H new ATOM 0 HD11 LEU A 114 13.312 -4.770 7.421 1.00 1.42 H new ATOM 0 HD12 LEU A 114 11.878 -4.953 8.459 1.00 1.42 H new ATOM 0 HD13 LEU A 114 11.931 -5.747 6.867 1.00 1.42 H new ATOM 0 HD21 LEU A 114 13.172 -3.421 5.315 1.00 2.09 H new ATOM 0 HD22 LEU A 114 11.780 -4.392 4.779 1.00 2.09 H new ATOM 0 HD23 LEU A 114 11.645 -2.620 4.874 1.00 2.09 H new ATOM 1700 N TYR A 115 10.179 -0.486 8.161 1.00 0.86 N ATOM 1701 CA TYR A 115 10.931 0.755 8.141 1.00 1.05 C ATOM 1702 C TYR A 115 12.401 0.372 8.023 1.00 1.02 C ATOM 1703 O TYR A 115 13.144 0.436 9.002 1.00 1.15 O ATOM 1704 CB TYR A 115 10.587 1.528 9.421 1.00 1.31 C ATOM 1705 CG TYR A 115 11.243 2.880 9.603 1.00 1.79 C ATOM 1706 CD1 TYR A 115 10.539 4.043 9.237 1.00 3.19 C ATOM 1707 CD2 TYR A 115 12.382 2.989 10.425 1.00 2.29 C ATOM 1708 CE1 TYR A 115 10.884 5.280 9.807 1.00 3.96 C ATOM 1709 CE2 TYR A 115 12.761 4.234 10.943 1.00 3.09 C ATOM 1710 CZ TYR A 115 12.001 5.372 10.651 1.00 3.61 C ATOM 1711 OH TYR A 115 12.189 6.482 11.415 1.00 4.50 O ATOM 0 H TYR A 115 9.891 -0.756 9.101 1.00 0.86 H new ATOM 0 HA TYR A 115 10.689 1.410 7.304 1.00 1.05 H new ATOM 0 HB2 TYR A 115 9.507 1.668 9.452 1.00 1.31 H new ATOM 0 HB3 TYR A 115 10.852 0.905 10.275 1.00 1.31 H new ATOM 0 HD1 TYR A 115 9.735 3.984 8.519 1.00 3.19 H new ATOM 0 HD2 TYR A 115 12.965 2.110 10.656 1.00 2.29 H new ATOM 0 HE1 TYR A 115 10.291 6.158 9.596 1.00 3.96 H new ATOM 0 HE2 TYR A 115 13.639 4.315 11.567 1.00 3.09 H new ATOM 0 HH TYR A 115 11.432 7.093 11.296 1.00 4.50 H new ATOM 1721 N ASN A 116 12.779 -0.114 6.835 1.00 0.94 N ATOM 1722 CA ASN A 116 14.131 -0.490 6.419 1.00 1.00 C ATOM 1723 C ASN A 116 14.711 -1.650 7.243 1.00 0.76 C ATOM 1724 O ASN A 116 14.949 -2.732 6.719 1.00 0.78 O ATOM 1725 CB ASN A 116 15.034 0.749 6.411 1.00 1.36 C ATOM 1726 CG ASN A 116 16.290 0.551 5.571 1.00 2.04 C ATOM 1727 OD1 ASN A 116 16.850 -0.539 5.511 1.00 2.74 O ATOM 1728 ND2 ASN A 116 16.737 1.601 4.888 1.00 2.79 N ATOM 0 H ASN A 116 12.100 -0.264 6.089 1.00 0.94 H new ATOM 0 HA ASN A 116 14.078 -0.877 5.401 1.00 1.00 H new ATOM 0 HB2 ASN A 116 14.473 1.601 6.025 1.00 1.36 H new ATOM 0 HB3 ASN A 116 15.320 0.993 7.434 1.00 1.36 H new ATOM 0 HD21 ASN A 116 17.564 1.511 4.297 1.00 2.79 H new ATOM 0 HD22 ASN A 116 16.253 2.496 4.955 1.00 2.79 H new ATOM 1735 N GLN A 117 14.910 -1.441 8.544 1.00 0.78 N ATOM 1736 CA GLN A 117 15.271 -2.462 9.511 1.00 0.78 C ATOM 1737 C GLN A 117 14.043 -2.949 10.292 1.00 0.87 C ATOM 1738 O GLN A 117 14.038 -4.078 10.776 1.00 1.18 O ATOM 1739 CB GLN A 117 16.293 -1.903 10.516 1.00 1.11 C ATOM 1740 CG GLN A 117 17.536 -1.243 9.893 1.00 1.30 C ATOM 1741 CD GLN A 117 17.300 0.138 9.277 1.00 1.44 C ATOM 1742 OE1 GLN A 117 16.456 0.973 9.881 1.00 2.49 O flip ATOM 1743 NE2 GLN A 117 17.882 0.470 8.253 1.00 2.07 N flip ATOM 0 H GLN A 117 14.819 -0.516 8.964 1.00 0.78 H new ATOM 0 HA GLN A 117 15.700 -3.298 8.958 1.00 0.78 H new ATOM 0 HB2 GLN A 117 15.792 -1.171 11.149 1.00 1.11 H new ATOM 0 HB3 GLN A 117 16.620 -2.715 11.166 1.00 1.11 H new ATOM 0 HG2 GLN A 117 18.304 -1.154 10.661 1.00 1.30 H new ATOM 0 HG3 GLN A 117 17.931 -1.905 9.122 1.00 1.30 H new ATOM 0 HE21 GLN A 117 18.526 -0.178 7.799 1.00 2.07 H new ATOM 0 HE22 GLN A 117 17.723 1.395 7.853 1.00 2.07 H new ATOM 1752 N ALA A 118 13.055 -2.072 10.517 1.00 0.92 N ATOM 1753 CA ALA A 118 12.191 -2.159 11.692 1.00 1.04 C ATOM 1754 C ALA A 118 10.720 -2.308 11.314 1.00 0.88 C ATOM 1755 O ALA A 118 10.092 -1.355 10.853 1.00 1.15 O ATOM 1756 CB ALA A 118 12.407 -0.917 12.562 1.00 1.36 C ATOM 0 H ALA A 118 12.837 -1.293 9.895 1.00 0.92 H new ATOM 0 HA ALA A 118 12.459 -3.054 12.253 1.00 1.04 H new ATOM 0 HB1 ALA A 118 11.766 -0.973 13.442 1.00 1.36 H new ATOM 0 HB2 ALA A 118 13.450 -0.869 12.875 1.00 1.36 H new ATOM 0 HB3 ALA A 118 12.159 -0.024 11.989 1.00 1.36 H new ATOM 1762 N GLU A 119 10.136 -3.483 11.554 1.00 0.82 N ATOM 1763 CA GLU A 119 8.712 -3.681 11.341 1.00 0.88 C ATOM 1764 C GLU A 119 7.930 -3.110 12.530 1.00 0.86 C ATOM 1765 O GLU A 119 7.466 -3.868 13.377 1.00 1.32 O ATOM 1766 CB GLU A 119 8.444 -5.178 11.101 1.00 1.29 C ATOM 1767 CG GLU A 119 7.024 -5.445 10.575 1.00 1.61 C ATOM 1768 CD GLU A 119 6.767 -6.928 10.333 1.00 2.35 C ATOM 1769 OE1 GLU A 119 7.407 -7.744 11.031 1.00 2.99 O ATOM 1770 OE2 GLU A 119 5.918 -7.218 9.462 1.00 3.13 O ATOM 0 H GLU A 119 10.631 -4.307 11.895 1.00 0.82 H new ATOM 0 HA GLU A 119 8.370 -3.145 10.456 1.00 0.88 H new ATOM 0 HB2 GLU A 119 9.171 -5.564 10.387 1.00 1.29 H new ATOM 0 HB3 GLU A 119 8.592 -5.724 12.033 1.00 1.29 H new ATOM 0 HG2 GLU A 119 6.296 -5.064 11.291 1.00 1.61 H new ATOM 0 HG3 GLU A 119 6.874 -4.896 9.645 1.00 1.61 H new ATOM 1777 N LYS A 120 7.743 -1.782 12.584 1.00 0.63 N ATOM 1778 CA LYS A 120 6.755 -1.125 13.431 1.00 0.78 C ATOM 1779 C LYS A 120 5.981 -0.127 12.590 1.00 0.86 C ATOM 1780 O LYS A 120 6.010 1.087 12.797 1.00 1.21 O ATOM 1781 CB LYS A 120 7.390 -0.518 14.687 1.00 1.10 C ATOM 1782 CG LYS A 120 7.918 -1.603 15.631 1.00 1.62 C ATOM 1783 CD LYS A 120 6.855 -2.593 16.098 1.00 1.82 C ATOM 1784 CE LYS A 120 5.788 -1.982 17.010 1.00 2.70 C ATOM 1785 NZ LYS A 120 4.903 -3.024 17.573 1.00 3.29 N ATOM 0 H LYS A 120 8.290 -1.127 12.025 1.00 0.63 H new ATOM 0 HA LYS A 120 6.047 -1.859 13.815 1.00 0.78 H new ATOM 0 HB2 LYS A 120 8.207 0.144 14.399 1.00 1.10 H new ATOM 0 HB3 LYS A 120 6.654 0.093 15.209 1.00 1.10 H new ATOM 0 HG2 LYS A 120 8.714 -2.152 15.128 1.00 1.62 H new ATOM 0 HG3 LYS A 120 8.363 -1.125 16.504 1.00 1.62 H new ATOM 0 HD2 LYS A 120 6.367 -3.024 15.224 1.00 1.82 H new ATOM 0 HD3 LYS A 120 7.344 -3.412 16.626 1.00 1.82 H new ATOM 0 HE2 LYS A 120 6.269 -1.434 17.820 1.00 2.70 H new ATOM 0 HE3 LYS A 120 5.194 -1.262 16.447 1.00 2.70 H new ATOM 0 HZ1 LYS A 120 4.190 -2.580 18.187 1.00 3.29 H new ATOM 0 HZ2 LYS A 120 4.427 -3.530 16.799 1.00 3.29 H new ATOM 0 HZ3 LYS A 120 5.469 -3.696 18.130 1.00 3.29 H new ATOM 1799 N GLY A 121 5.249 -0.699 11.647 1.00 0.67 N ATOM 1800 CA GLY A 121 4.202 -0.003 10.928 1.00 0.70 C ATOM 1801 C GLY A 121 3.222 -1.007 10.345 1.00 0.58 C ATOM 1802 O GLY A 121 3.563 -2.177 10.157 1.00 0.59 O ATOM 0 H GLY A 121 5.369 -1.670 11.359 1.00 0.67 H new ATOM 0 HA2 GLY A 121 3.681 0.681 11.598 1.00 0.70 H new ATOM 0 HA3 GLY A 121 4.635 0.601 10.131 1.00 0.70 H new ATOM 1806 N SER A 122 2.005 -0.550 10.067 1.00 0.69 N ATOM 1807 CA SER A 122 0.922 -1.358 9.557 1.00 0.61 C ATOM 1808 C SER A 122 -0.058 -0.481 8.800 1.00 0.65 C ATOM 1809 O SER A 122 -0.106 0.725 9.038 1.00 0.81 O ATOM 1810 CB SER A 122 0.254 -2.074 10.723 1.00 0.76 C ATOM 1811 OG SER A 122 -0.106 -1.161 11.745 1.00 0.87 O ATOM 0 H SER A 122 1.745 0.428 10.198 1.00 0.69 H new ATOM 0 HA SER A 122 1.298 -2.107 8.861 1.00 0.61 H new ATOM 0 HB2 SER A 122 -0.634 -2.599 10.371 1.00 0.76 H new ATOM 0 HB3 SER A 122 0.930 -2.828 11.126 1.00 0.76 H new ATOM 0 HG SER A 122 -0.534 -1.646 12.481 1.00 0.87 H new ATOM 1817 N TYR A 123 -0.824 -1.069 7.881 1.00 0.76 N ATOM 1818 CA TYR A 123 -1.680 -0.284 7.018 1.00 0.99 C ATOM 1819 C TYR A 123 -2.862 -1.097 6.509 1.00 0.89 C ATOM 1820 O TYR A 123 -2.924 -2.312 6.678 1.00 0.99 O ATOM 1821 CB TYR A 123 -0.868 0.273 5.849 1.00 1.26 C ATOM 1822 CG TYR A 123 -0.452 -0.719 4.789 1.00 1.00 C ATOM 1823 CD1 TYR A 123 -0.905 -0.556 3.470 1.00 1.66 C ATOM 1824 CD2 TYR A 123 0.501 -1.706 5.087 1.00 2.53 C ATOM 1825 CE1 TYR A 123 -0.404 -1.379 2.454 1.00 2.10 C ATOM 1826 CE2 TYR A 123 0.953 -2.571 4.081 1.00 3.26 C ATOM 1827 CZ TYR A 123 0.494 -2.416 2.765 1.00 2.62 C ATOM 1828 OH TYR A 123 0.987 -3.229 1.792 1.00 3.55 O ATOM 0 H TYR A 123 -0.864 -2.076 7.722 1.00 0.76 H new ATOM 0 HA TYR A 123 -2.082 0.544 7.602 1.00 0.99 H new ATOM 0 HB2 TYR A 123 -1.452 1.059 5.371 1.00 1.26 H new ATOM 0 HB3 TYR A 123 0.031 0.742 6.250 1.00 1.26 H new ATOM 0 HD1 TYR A 123 -1.638 0.203 3.240 1.00 1.66 H new ATOM 0 HD2 TYR A 123 0.886 -1.799 6.092 1.00 2.53 H new ATOM 0 HE1 TYR A 123 -0.707 -1.217 1.430 1.00 2.10 H new ATOM 0 HE2 TYR A 123 1.655 -3.357 4.319 1.00 3.26 H new ATOM 0 HH TYR A 123 1.008 -2.744 0.940 1.00 3.55 H new ATOM 1838 N SER A 124 -3.795 -0.391 5.877 1.00 0.78 N ATOM 1839 CA SER A 124 -5.020 -0.894 5.299 1.00 0.80 C ATOM 1840 C SER A 124 -5.042 -0.431 3.846 1.00 0.58 C ATOM 1841 O SER A 124 -4.715 0.732 3.605 1.00 0.64 O ATOM 1842 CB SER A 124 -6.198 -0.312 6.092 1.00 1.03 C ATOM 1843 OG SER A 124 -6.095 1.100 6.200 1.00 2.16 O ATOM 0 H SER A 124 -3.701 0.617 5.751 1.00 0.78 H new ATOM 0 HA SER A 124 -5.089 -1.981 5.337 1.00 0.80 H new ATOM 0 HB2 SER A 124 -7.135 -0.575 5.602 1.00 1.03 H new ATOM 0 HB3 SER A 124 -6.224 -0.755 7.088 1.00 1.03 H new ATOM 0 HG SER A 124 -5.166 1.347 6.390 1.00 2.16 H new ATOM 1849 N LEU A 125 -5.386 -1.300 2.884 1.00 0.78 N ATOM 1850 CA LEU A 125 -5.397 -0.900 1.474 1.00 0.78 C ATOM 1851 C LEU A 125 -6.399 -1.710 0.629 1.00 0.84 C ATOM 1852 O LEU A 125 -6.340 -2.937 0.556 1.00 0.90 O ATOM 1853 CB LEU A 125 -3.943 -0.855 0.953 1.00 0.75 C ATOM 1854 CG LEU A 125 -3.698 -0.455 -0.505 1.00 0.76 C ATOM 1855 CD1 LEU A 125 -3.828 -1.651 -1.449 1.00 0.98 C ATOM 1856 CD2 LEU A 125 -4.548 0.735 -0.952 1.00 0.90 C ATOM 0 H LEU A 125 -5.656 -2.269 3.055 1.00 0.78 H new ATOM 0 HA LEU A 125 -5.789 0.112 1.373 1.00 0.78 H new ATOM 0 HB2 LEU A 125 -3.387 -0.162 1.584 1.00 0.75 H new ATOM 0 HB3 LEU A 125 -3.507 -1.843 1.103 1.00 0.75 H new ATOM 0 HG LEU A 125 -2.665 -0.113 -0.560 1.00 0.76 H new ATOM 0 HD11 LEU A 125 -3.647 -1.327 -2.474 1.00 0.98 H new ATOM 0 HD12 LEU A 125 -3.097 -2.412 -1.175 1.00 0.98 H new ATOM 0 HD13 LEU A 125 -4.832 -2.068 -1.372 1.00 0.98 H new ATOM 0 HD21 LEU A 125 -4.328 0.969 -1.994 1.00 0.90 H new ATOM 0 HD22 LEU A 125 -5.604 0.486 -0.852 1.00 0.90 H new ATOM 0 HD23 LEU A 125 -4.319 1.600 -0.330 1.00 0.90 H new ATOM 1868 N GLY A 126 -7.325 -0.983 -0.003 1.00 0.88 N ATOM 1869 CA GLY A 126 -8.386 -1.371 -0.930 1.00 0.78 C ATOM 1870 C GLY A 126 -7.891 -1.586 -2.367 1.00 1.35 C ATOM 1871 O GLY A 126 -6.691 -1.679 -2.631 1.00 2.49 O ATOM 0 H GLY A 126 -7.348 0.026 0.146 1.00 0.88 H new ATOM 0 HA2 GLY A 126 -8.852 -2.289 -0.573 1.00 0.78 H new ATOM 0 HA3 GLY A 126 -9.157 -0.601 -0.931 1.00 0.78 H new ATOM 1875 N ILE A 127 -8.824 -1.812 -3.295 1.00 1.00 N ATOM 1876 CA ILE A 127 -8.617 -1.536 -4.707 1.00 1.07 C ATOM 1877 C ILE A 127 -9.898 -0.850 -5.197 1.00 0.99 C ATOM 1878 O ILE A 127 -10.957 -1.152 -4.654 1.00 0.95 O ATOM 1879 CB ILE A 127 -8.273 -2.847 -5.441 1.00 1.30 C ATOM 1880 CG1 ILE A 127 -7.366 -2.650 -6.665 1.00 1.67 C ATOM 1881 CG2 ILE A 127 -9.507 -3.701 -5.748 1.00 1.53 C ATOM 1882 CD1 ILE A 127 -8.089 -2.444 -7.989 1.00 2.14 C ATOM 0 H ILE A 127 -9.746 -2.193 -3.081 1.00 1.00 H new ATOM 0 HA ILE A 127 -7.774 -0.873 -4.903 1.00 1.07 H new ATOM 0 HB ILE A 127 -7.676 -3.420 -4.732 1.00 1.30 H new ATOM 0 HG12 ILE A 127 -6.723 -1.789 -6.484 1.00 1.67 H new ATOM 0 HG13 ILE A 127 -6.716 -3.520 -6.757 1.00 1.67 H new ATOM 0 HG21 ILE A 127 -9.201 -4.610 -6.265 1.00 1.53 H new ATOM 0 HG22 ILE A 127 -10.008 -3.964 -4.817 1.00 1.53 H new ATOM 0 HG23 ILE A 127 -10.192 -3.137 -6.381 1.00 1.53 H new ATOM 0 HD11 ILE A 127 -7.358 -2.315 -8.787 1.00 2.14 H new ATOM 0 HD12 ILE A 127 -8.710 -3.314 -8.203 1.00 2.14 H new ATOM 0 HD13 ILE A 127 -8.718 -1.556 -7.926 1.00 2.14 H new ATOM 1894 N PHE A 128 -9.801 0.083 -6.154 1.00 1.11 N ATOM 1895 CA PHE A 128 -10.899 0.935 -6.615 1.00 1.05 C ATOM 1896 C PHE A 128 -12.287 0.291 -6.657 1.00 1.68 C ATOM 1897 O PHE A 128 -13.266 0.897 -6.238 1.00 3.30 O ATOM 1898 CB PHE A 128 -10.587 1.486 -8.013 1.00 2.95 C ATOM 1899 CG PHE A 128 -11.324 2.771 -8.334 1.00 3.60 C ATOM 1900 CD1 PHE A 128 -12.302 2.816 -9.344 1.00 4.62 C ATOM 1901 CD2 PHE A 128 -11.086 3.917 -7.553 1.00 4.20 C ATOM 1902 CE1 PHE A 128 -13.008 4.006 -9.594 1.00 5.53 C ATOM 1903 CE2 PHE A 128 -11.768 5.116 -7.819 1.00 5.41 C ATOM 1904 CZ PHE A 128 -12.729 5.161 -8.842 1.00 5.82 C ATOM 0 H PHE A 128 -8.926 0.269 -6.643 1.00 1.11 H new ATOM 0 HA PHE A 128 -10.955 1.717 -5.858 1.00 1.05 H new ATOM 0 HB2 PHE A 128 -9.514 1.661 -8.095 1.00 2.95 H new ATOM 0 HB3 PHE A 128 -10.845 0.733 -8.758 1.00 2.95 H new ATOM 0 HD1 PHE A 128 -12.511 1.933 -9.930 1.00 4.62 H new ATOM 0 HD2 PHE A 128 -10.373 3.874 -6.743 1.00 4.20 H new ATOM 0 HE1 PHE A 128 -13.765 4.033 -10.364 1.00 5.53 H new ATOM 0 HE2 PHE A 128 -11.554 6.001 -7.238 1.00 5.41 H new ATOM 0 HZ PHE A 128 -13.253 6.082 -9.051 1.00 5.82 H new ATOM 1914 N GLY A 129 -12.379 -0.895 -7.262 1.00 2.47 N ATOM 1915 CA GLY A 129 -13.659 -1.515 -7.550 1.00 3.54 C ATOM 1916 C GLY A 129 -14.340 -0.877 -8.765 1.00 2.38 C ATOM 1917 O GLY A 129 -15.560 -0.744 -8.785 1.00 3.15 O ATOM 0 H GLY A 129 -11.572 -1.443 -7.561 1.00 2.47 H new ATOM 0 HA2 GLY A 129 -13.514 -2.580 -7.732 1.00 3.54 H new ATOM 0 HA3 GLY A 129 -14.310 -1.426 -6.680 1.00 3.54 H new ATOM 1921 N GLY A 130 -13.560 -0.499 -9.790 1.00 1.18 N ATOM 1922 CA GLY A 130 -14.097 -0.154 -11.101 1.00 1.60 C ATOM 1923 C GLY A 130 -13.153 -0.671 -12.183 1.00 1.61 C ATOM 1924 O GLY A 130 -13.495 -1.588 -12.923 1.00 2.33 O ATOM 0 H GLY A 130 -12.545 -0.426 -9.727 1.00 1.18 H new ATOM 0 HA2 GLY A 130 -15.088 -0.590 -11.227 1.00 1.60 H new ATOM 0 HA3 GLY A 130 -14.211 0.927 -11.187 1.00 1.60 H new ATOM 1928 N LYS A 131 -11.949 -0.090 -12.255 1.00 1.35 N ATOM 1929 CA LYS A 131 -10.866 -0.577 -13.105 1.00 1.32 C ATOM 1930 C LYS A 131 -9.521 -0.036 -12.589 1.00 1.22 C ATOM 1931 O LYS A 131 -8.718 0.516 -13.331 1.00 1.58 O ATOM 1932 CB LYS A 131 -11.164 -0.285 -14.593 1.00 1.51 C ATOM 1933 CG LYS A 131 -11.208 1.209 -14.932 1.00 1.63 C ATOM 1934 CD LYS A 131 -11.904 1.514 -16.262 1.00 2.00 C ATOM 1935 CE LYS A 131 -11.776 3.021 -16.544 1.00 2.51 C ATOM 1936 NZ LYS A 131 -12.378 3.415 -17.833 1.00 3.44 N ATOM 0 H LYS A 131 -11.701 0.740 -11.717 1.00 1.35 H new ATOM 0 HA LYS A 131 -10.791 -1.663 -13.048 1.00 1.32 H new ATOM 0 HB2 LYS A 131 -10.403 -0.766 -15.208 1.00 1.51 H new ATOM 0 HB3 LYS A 131 -12.120 -0.737 -14.858 1.00 1.51 H new ATOM 0 HG2 LYS A 131 -11.723 1.740 -14.131 1.00 1.63 H new ATOM 0 HG3 LYS A 131 -10.189 1.596 -14.967 1.00 1.63 H new ATOM 0 HD2 LYS A 131 -11.450 0.938 -17.068 1.00 2.00 H new ATOM 0 HD3 LYS A 131 -12.954 1.225 -16.215 1.00 2.00 H new ATOM 0 HE2 LYS A 131 -12.255 3.579 -15.739 1.00 2.51 H new ATOM 0 HE3 LYS A 131 -10.722 3.298 -16.541 1.00 2.51 H new ATOM 0 HZ1 LYS A 131 -12.263 4.439 -17.971 1.00 3.44 H new ATOM 0 HZ2 LYS A 131 -11.905 2.906 -18.607 1.00 3.44 H new ATOM 0 HZ3 LYS A 131 -13.391 3.178 -17.830 1.00 3.44 H new ATOM 1950 N ALA A 132 -9.301 -0.166 -11.277 1.00 0.97 N ATOM 1951 CA ALA A 132 -8.063 0.130 -10.570 1.00 0.88 C ATOM 1952 C ALA A 132 -7.665 1.589 -10.761 1.00 0.96 C ATOM 1953 O ALA A 132 -6.518 1.873 -11.079 1.00 1.47 O ATOM 1954 CB ALA A 132 -6.962 -0.829 -11.045 1.00 1.06 C ATOM 0 H ALA A 132 -10.030 -0.501 -10.647 1.00 0.97 H new ATOM 0 HA ALA A 132 -8.212 -0.020 -9.501 1.00 0.88 H new ATOM 0 HB1 ALA A 132 -6.035 -0.609 -10.517 1.00 1.06 H new ATOM 0 HB2 ALA A 132 -7.261 -1.857 -10.840 1.00 1.06 H new ATOM 0 HB3 ALA A 132 -6.808 -0.703 -12.117 1.00 1.06 H new ATOM 1960 N GLN A 133 -8.603 2.521 -10.563 1.00 0.72 N ATOM 1961 CA GLN A 133 -8.369 3.928 -10.849 1.00 0.80 C ATOM 1962 C GLN A 133 -7.589 4.576 -9.713 1.00 0.78 C ATOM 1963 O GLN A 133 -6.664 5.349 -9.951 1.00 0.96 O ATOM 1964 CB GLN A 133 -9.690 4.664 -11.102 1.00 0.97 C ATOM 1965 CG GLN A 133 -10.530 4.046 -12.228 1.00 1.12 C ATOM 1966 CD GLN A 133 -9.813 4.114 -13.570 1.00 2.23 C ATOM 1967 OE1 GLN A 133 -8.894 3.188 -13.826 1.00 2.60 O flip ATOM 1968 NE2 GLN A 133 -10.106 4.970 -14.398 1.00 3.48 N flip ATOM 0 H GLN A 133 -9.535 2.318 -10.203 1.00 0.72 H new ATOM 0 HA GLN A 133 -7.772 4.000 -11.758 1.00 0.80 H new ATOM 0 HB2 GLN A 133 -10.276 4.668 -10.183 1.00 0.97 H new ATOM 0 HB3 GLN A 133 -9.476 5.704 -11.348 1.00 0.97 H new ATOM 0 HG2 GLN A 133 -10.753 3.007 -11.987 1.00 1.12 H new ATOM 0 HG3 GLN A 133 -11.484 4.568 -12.299 1.00 1.12 H new ATOM 0 HE21 GLN A 133 -10.814 5.670 -14.179 1.00 3.48 H new ATOM 0 HE22 GLN A 133 -9.641 4.982 -15.306 1.00 3.48 H new ATOM 1977 N GLU A 134 -7.975 4.236 -8.484 1.00 0.73 N ATOM 1978 CA GLU A 134 -7.366 4.720 -7.261 1.00 0.84 C ATOM 1979 C GLU A 134 -7.360 3.546 -6.286 1.00 0.74 C ATOM 1980 O GLU A 134 -7.959 2.505 -6.565 1.00 1.25 O ATOM 1981 CB GLU A 134 -8.162 5.912 -6.707 1.00 1.09 C ATOM 1982 CG GLU A 134 -8.478 6.961 -7.786 1.00 1.20 C ATOM 1983 CD GLU A 134 -9.236 8.160 -7.239 1.00 1.61 C ATOM 1984 OE1 GLU A 134 -9.029 9.259 -7.797 1.00 2.35 O ATOM 1985 OE2 GLU A 134 -10.039 7.943 -6.305 1.00 2.62 O ATOM 0 H GLU A 134 -8.748 3.593 -8.314 1.00 0.73 H new ATOM 0 HA GLU A 134 -6.350 5.076 -7.430 1.00 0.84 H new ATOM 0 HB2 GLU A 134 -9.094 5.552 -6.271 1.00 1.09 H new ATOM 0 HB3 GLU A 134 -7.595 6.382 -5.903 1.00 1.09 H new ATOM 0 HG2 GLU A 134 -7.547 7.302 -8.239 1.00 1.20 H new ATOM 0 HG3 GLU A 134 -9.066 6.496 -8.577 1.00 1.20 H new ATOM 1992 N VAL A 135 -6.677 3.686 -5.153 1.00 0.77 N ATOM 1993 CA VAL A 135 -6.613 2.640 -4.148 1.00 0.74 C ATOM 1994 C VAL A 135 -6.786 3.300 -2.778 1.00 1.04 C ATOM 1995 O VAL A 135 -5.904 4.008 -2.307 1.00 1.57 O ATOM 1996 CB VAL A 135 -5.340 1.782 -4.324 1.00 0.69 C ATOM 1997 CG1 VAL A 135 -5.311 1.107 -5.698 1.00 0.73 C ATOM 1998 CG2 VAL A 135 -3.993 2.508 -4.218 1.00 0.85 C ATOM 0 H VAL A 135 -6.155 4.528 -4.910 1.00 0.77 H new ATOM 0 HA VAL A 135 -7.421 1.917 -4.256 1.00 0.74 H new ATOM 0 HB VAL A 135 -5.426 1.092 -3.485 1.00 0.69 H new ATOM 0 HG11 VAL A 135 -4.403 0.511 -5.791 1.00 0.73 H new ATOM 0 HG12 VAL A 135 -6.182 0.461 -5.804 1.00 0.73 H new ATOM 0 HG13 VAL A 135 -5.327 1.868 -6.478 1.00 0.73 H new ATOM 0 HG21 VAL A 135 -3.182 1.793 -4.360 1.00 0.85 H new ATOM 0 HG22 VAL A 135 -3.935 3.280 -4.985 1.00 0.85 H new ATOM 0 HG23 VAL A 135 -3.904 2.967 -3.233 1.00 0.85 H new ATOM 2008 N ALA A 136 -7.954 3.127 -2.157 1.00 1.07 N ATOM 2009 CA ALA A 136 -8.251 3.758 -0.879 1.00 1.31 C ATOM 2010 C ALA A 136 -7.567 2.958 0.226 1.00 1.10 C ATOM 2011 O ALA A 136 -7.769 1.748 0.317 1.00 1.06 O ATOM 2012 CB ALA A 136 -9.767 3.801 -0.669 1.00 1.65 C ATOM 0 H ALA A 136 -8.711 2.551 -2.525 1.00 1.07 H new ATOM 0 HA ALA A 136 -7.879 4.782 -0.861 1.00 1.31 H new ATOM 0 HB1 ALA A 136 -9.988 4.273 0.288 1.00 1.65 H new ATOM 0 HB2 ALA A 136 -10.229 4.374 -1.472 1.00 1.65 H new ATOM 0 HB3 ALA A 136 -10.164 2.786 -0.673 1.00 1.65 H new ATOM 2018 N GLY A 137 -6.733 3.604 1.040 1.00 1.04 N ATOM 2019 CA GLY A 137 -6.030 2.954 2.130 1.00 0.92 C ATOM 2020 C GLY A 137 -5.629 3.970 3.188 1.00 0.87 C ATOM 2021 O GLY A 137 -5.843 5.172 3.019 1.00 1.02 O ATOM 0 H GLY A 137 -6.529 4.600 0.956 1.00 1.04 H new ATOM 0 HA2 GLY A 137 -6.666 2.189 2.575 1.00 0.92 H new ATOM 0 HA3 GLY A 137 -5.143 2.449 1.748 1.00 0.92 H new ATOM 2025 N SER A 138 -5.028 3.494 4.276 1.00 0.74 N ATOM 2026 CA SER A 138 -4.389 4.333 5.279 1.00 0.79 C ATOM 2027 C SER A 138 -3.308 3.505 5.969 1.00 0.77 C ATOM 2028 O SER A 138 -3.580 2.367 6.363 1.00 0.98 O ATOM 2029 CB SER A 138 -5.428 4.834 6.289 1.00 0.97 C ATOM 2030 OG SER A 138 -6.261 5.812 5.695 1.00 1.79 O ATOM 0 H SER A 138 -4.972 2.497 4.486 1.00 0.74 H new ATOM 0 HA SER A 138 -3.937 5.209 4.813 1.00 0.79 H new ATOM 0 HB2 SER A 138 -6.032 3.999 6.643 1.00 0.97 H new ATOM 0 HB3 SER A 138 -4.925 5.255 7.159 1.00 0.97 H new ATOM 0 HG SER A 138 -6.129 5.808 4.724 1.00 1.79 H new ATOM 2036 N ALA A 139 -2.097 4.065 6.080 1.00 0.71 N ATOM 2037 CA ALA A 139 -0.960 3.463 6.759 1.00 0.65 C ATOM 2038 C ALA A 139 -0.555 4.261 7.999 1.00 0.68 C ATOM 2039 O ALA A 139 -0.681 5.486 8.021 1.00 0.81 O ATOM 2040 CB ALA A 139 0.208 3.354 5.768 1.00 0.85 C ATOM 0 H ALA A 139 -1.882 4.980 5.684 1.00 0.71 H new ATOM 0 HA ALA A 139 -1.241 2.468 7.105 1.00 0.65 H new ATOM 0 HB1 ALA A 139 1.067 2.904 6.266 1.00 0.85 H new ATOM 0 HB2 ALA A 139 -0.089 2.732 4.923 1.00 0.85 H new ATOM 0 HB3 ALA A 139 0.476 4.348 5.411 1.00 0.85 H new ATOM 2046 N GLU A 140 -0.036 3.561 9.015 1.00 0.75 N ATOM 2047 CA GLU A 140 0.722 4.172 10.099 1.00 1.01 C ATOM 2048 C GLU A 140 2.082 3.489 10.237 1.00 0.95 C ATOM 2049 O GLU A 140 2.187 2.268 10.109 1.00 1.27 O ATOM 2050 CB GLU A 140 -0.059 4.159 11.418 1.00 1.35 C ATOM 2051 CG GLU A 140 -0.310 2.795 12.076 1.00 1.42 C ATOM 2052 CD GLU A 140 -0.893 3.023 13.460 1.00 1.75 C ATOM 2053 OE1 GLU A 140 -2.134 2.953 13.598 1.00 2.27 O ATOM 2054 OE2 GLU A 140 -0.125 3.436 14.367 1.00 2.71 O ATOM 0 H GLU A 140 -0.134 2.550 9.103 1.00 0.75 H new ATOM 0 HA GLU A 140 0.889 5.220 9.851 1.00 1.01 H new ATOM 0 HB2 GLU A 140 0.476 4.785 12.133 1.00 1.35 H new ATOM 0 HB3 GLU A 140 -1.026 4.631 11.242 1.00 1.35 H new ATOM 0 HG2 GLU A 140 -0.996 2.203 11.470 1.00 1.42 H new ATOM 0 HG3 GLU A 140 0.621 2.232 12.146 1.00 1.42 H new ATOM 2061 N VAL A 141 3.126 4.282 10.495 1.00 0.86 N ATOM 2062 CA VAL A 141 4.482 3.797 10.685 1.00 0.80 C ATOM 2063 C VAL A 141 5.019 4.519 11.912 1.00 0.83 C ATOM 2064 O VAL A 141 5.142 5.734 11.901 1.00 1.26 O ATOM 2065 CB VAL A 141 5.314 4.064 9.424 1.00 0.88 C ATOM 2066 CG1 VAL A 141 6.710 3.450 9.568 1.00 1.92 C ATOM 2067 CG2 VAL A 141 4.615 3.463 8.198 1.00 1.72 C ATOM 0 H VAL A 141 3.043 5.295 10.578 1.00 0.86 H new ATOM 0 HA VAL A 141 4.524 2.720 10.845 1.00 0.80 H new ATOM 0 HB VAL A 141 5.411 5.142 9.294 1.00 0.88 H new ATOM 0 HG11 VAL A 141 7.289 3.647 8.666 1.00 1.92 H new ATOM 0 HG12 VAL A 141 7.215 3.892 10.427 1.00 1.92 H new ATOM 0 HG13 VAL A 141 6.621 2.373 9.714 1.00 1.92 H new ATOM 0 HG21 VAL A 141 5.212 3.657 7.307 1.00 1.72 H new ATOM 0 HG22 VAL A 141 4.504 2.387 8.333 1.00 1.72 H new ATOM 0 HG23 VAL A 141 3.631 3.917 8.081 1.00 1.72 H new ATOM 2077 N LYS A 142 5.247 3.802 13.008 1.00 0.66 N ATOM 2078 CA LYS A 142 5.370 4.410 14.322 1.00 0.79 C ATOM 2079 C LYS A 142 6.770 4.147 14.869 1.00 1.03 C ATOM 2080 O LYS A 142 7.002 3.151 15.552 1.00 1.42 O ATOM 2081 CB LYS A 142 4.223 3.893 15.204 1.00 0.96 C ATOM 2082 CG LYS A 142 4.387 2.412 15.573 1.00 1.10 C ATOM 2083 CD LYS A 142 3.077 1.612 15.652 1.00 1.57 C ATOM 2084 CE LYS A 142 2.144 2.041 16.795 1.00 2.41 C ATOM 2085 NZ LYS A 142 1.417 3.285 16.484 1.00 3.01 N ATOM 0 H LYS A 142 5.351 2.787 13.007 1.00 0.66 H new ATOM 0 HA LYS A 142 5.269 5.495 14.289 1.00 0.79 H new ATOM 0 HB2 LYS A 142 4.174 4.488 16.116 1.00 0.96 H new ATOM 0 HB3 LYS A 142 3.276 4.031 14.682 1.00 0.96 H new ATOM 0 HG2 LYS A 142 5.039 1.940 14.838 1.00 1.10 H new ATOM 0 HG3 LYS A 142 4.893 2.347 16.536 1.00 1.10 H new ATOM 0 HD2 LYS A 142 2.545 1.714 14.706 1.00 1.57 H new ATOM 0 HD3 LYS A 142 3.316 0.555 15.771 1.00 1.57 H new ATOM 0 HE2 LYS A 142 1.428 1.244 16.995 1.00 2.41 H new ATOM 0 HE3 LYS A 142 2.728 2.181 17.705 1.00 2.41 H new ATOM 0 HZ1 LYS A 142 0.569 3.351 17.083 1.00 3.01 H new ATOM 0 HZ2 LYS A 142 2.034 4.102 16.666 1.00 3.01 H new ATOM 0 HZ3 LYS A 142 1.134 3.281 15.483 1.00 3.01 H new ATOM 2099 N THR A 143 7.722 5.025 14.562 1.00 1.02 N ATOM 2100 CA THR A 143 9.069 4.860 15.113 1.00 1.24 C ATOM 2101 C THR A 143 9.403 6.036 16.026 1.00 1.35 C ATOM 2102 O THR A 143 8.594 6.948 16.189 1.00 1.39 O ATOM 2103 CB THR A 143 10.107 4.668 13.998 1.00 1.43 C ATOM 2104 OG1 THR A 143 10.449 5.911 13.434 1.00 2.39 O ATOM 2105 CG2 THR A 143 9.604 3.694 12.927 1.00 1.84 C ATOM 0 H THR A 143 7.596 5.834 13.954 1.00 1.02 H new ATOM 0 HA THR A 143 9.099 3.953 15.716 1.00 1.24 H new ATOM 0 HB THR A 143 11.003 4.229 14.437 1.00 1.43 H new ATOM 0 HG1 THR A 143 11.044 5.770 12.668 1.00 2.39 H new ATOM 0 HG21 THR A 143 10.363 3.581 12.153 1.00 1.84 H new ATOM 0 HG22 THR A 143 9.403 2.724 13.383 1.00 1.84 H new ATOM 0 HG23 THR A 143 8.688 4.083 12.483 1.00 1.84 H new ATOM 2113 N VAL A 144 10.635 6.050 16.546 1.00 1.48 N ATOM 2114 CA VAL A 144 11.256 7.224 17.146 1.00 1.60 C ATOM 2115 C VAL A 144 11.063 8.475 16.279 1.00 1.62 C ATOM 2116 O VAL A 144 10.994 9.581 16.805 1.00 1.74 O ATOM 2117 CB VAL A 144 12.753 6.962 17.396 1.00 1.72 C ATOM 2118 CG1 VAL A 144 12.940 5.926 18.511 1.00 3.09 C ATOM 2119 CG2 VAL A 144 13.516 6.504 16.141 1.00 1.96 C ATOM 0 H VAL A 144 11.236 5.226 16.559 1.00 1.48 H new ATOM 0 HA VAL A 144 10.764 7.412 18.100 1.00 1.60 H new ATOM 0 HB VAL A 144 13.176 7.921 17.696 1.00 1.72 H new ATOM 0 HG11 VAL A 144 14.004 5.754 18.673 1.00 3.09 H new ATOM 0 HG12 VAL A 144 12.488 6.296 19.431 1.00 3.09 H new ATOM 0 HG13 VAL A 144 12.461 4.990 18.222 1.00 3.09 H new ATOM 0 HG21 VAL A 144 14.564 6.339 16.392 1.00 1.96 H new ATOM 0 HG22 VAL A 144 13.081 5.576 15.769 1.00 1.96 H new ATOM 0 HG23 VAL A 144 13.445 7.272 15.371 1.00 1.96 H new ATOM 2129 N ASN A 145 10.971 8.303 14.956 1.00 1.57 N ATOM 2130 CA ASN A 145 10.597 9.375 14.050 1.00 1.63 C ATOM 2131 C ASN A 145 10.040 8.713 12.798 1.00 1.38 C ATOM 2132 O ASN A 145 10.662 8.678 11.737 1.00 1.62 O ATOM 2133 CB ASN A 145 11.754 10.361 13.804 1.00 2.24 C ATOM 2134 CG ASN A 145 13.095 9.689 13.542 1.00 1.93 C ATOM 2135 OD1 ASN A 145 13.989 9.714 14.381 1.00 3.16 O ATOM 2136 ND2 ASN A 145 13.250 9.080 12.377 1.00 1.73 N ATOM 0 H ASN A 145 11.155 7.414 14.491 1.00 1.57 H new ATOM 0 HA ASN A 145 9.826 10.014 14.480 1.00 1.63 H new ATOM 0 HB2 ASN A 145 11.504 10.994 12.952 1.00 2.24 H new ATOM 0 HB3 ASN A 145 11.850 11.016 14.670 1.00 2.24 H new ATOM 0 HD21 ASN A 145 14.131 8.615 12.158 1.00 1.73 H new ATOM 0 HD22 ASN A 145 12.488 9.076 11.698 1.00 1.73 H new ATOM 2143 N GLY A 146 8.822 8.199 12.947 1.00 1.12 N ATOM 2144 CA GLY A 146 8.083 7.504 11.916 1.00 1.06 C ATOM 2145 C GLY A 146 6.686 8.087 11.928 1.00 0.76 C ATOM 2146 O GLY A 146 6.196 8.510 12.978 1.00 0.95 O ATOM 0 H GLY A 146 8.309 8.262 13.827 1.00 1.12 H new ATOM 0 HA2 GLY A 146 8.553 7.640 10.942 1.00 1.06 H new ATOM 0 HA3 GLY A 146 8.059 6.432 12.111 1.00 1.06 H new ATOM 2150 N ILE A 147 6.073 8.168 10.753 1.00 0.59 N ATOM 2151 CA ILE A 147 4.869 8.930 10.578 1.00 0.65 C ATOM 2152 C ILE A 147 3.661 8.051 10.903 1.00 0.70 C ATOM 2153 O ILE A 147 3.306 7.134 10.164 1.00 1.28 O ATOM 2154 CB ILE A 147 4.834 9.536 9.174 1.00 0.97 C ATOM 2155 CG1 ILE A 147 6.122 10.293 8.813 1.00 1.52 C ATOM 2156 CG2 ILE A 147 3.695 10.543 9.183 1.00 2.35 C ATOM 2157 CD1 ILE A 147 7.227 9.385 8.266 1.00 1.15 C ATOM 0 H ILE A 147 6.404 7.705 9.906 1.00 0.59 H new ATOM 0 HA ILE A 147 4.839 9.772 11.270 1.00 0.65 H new ATOM 0 HB ILE A 147 4.716 8.734 8.446 1.00 0.97 H new ATOM 0 HG12 ILE A 147 5.890 11.058 8.072 1.00 1.52 H new ATOM 0 HG13 ILE A 147 6.492 10.810 9.699 1.00 1.52 H new ATOM 0 HG21 ILE A 147 3.617 11.013 8.203 1.00 2.35 H new ATOM 0 HG22 ILE A 147 2.760 10.033 9.416 1.00 2.35 H new ATOM 0 HG23 ILE A 147 3.890 11.306 9.937 1.00 2.35 H new ATOM 0 HD11 ILE A 147 8.107 9.984 8.032 1.00 1.15 H new ATOM 0 HD12 ILE A 147 7.486 8.636 9.014 1.00 1.15 H new ATOM 0 HD13 ILE A 147 6.875 8.888 7.362 1.00 1.15 H new ATOM 2169 N ARG A 148 3.002 8.356 12.020 1.00 0.63 N ATOM 2170 CA ARG A 148 1.868 7.575 12.493 1.00 0.82 C ATOM 2171 C ARG A 148 0.596 7.790 11.656 1.00 0.98 C ATOM 2172 O ARG A 148 -0.405 7.119 11.892 1.00 2.14 O ATOM 2173 CB ARG A 148 1.592 7.899 13.965 1.00 1.12 C ATOM 2174 CG ARG A 148 1.035 6.663 14.683 1.00 1.36 C ATOM 2175 CD ARG A 148 -0.038 7.051 15.702 1.00 1.57 C ATOM 2176 NE ARG A 148 -1.321 7.358 15.039 1.00 2.11 N ATOM 2177 CZ ARG A 148 -2.264 6.459 14.712 1.00 1.87 C ATOM 2178 NH1 ARG A 148 -2.046 5.160 14.902 1.00 2.76 N ATOM 2179 NH2 ARG A 148 -3.422 6.876 14.200 1.00 2.83 N ATOM 0 H ARG A 148 3.240 9.148 12.617 1.00 0.63 H new ATOM 0 HA ARG A 148 2.138 6.525 12.385 1.00 0.82 H new ATOM 0 HB2 ARG A 148 2.510 8.228 14.451 1.00 1.12 H new ATOM 0 HB3 ARG A 148 0.881 8.722 14.037 1.00 1.12 H new ATOM 0 HG2 ARG A 148 0.613 5.974 13.952 1.00 1.36 H new ATOM 0 HG3 ARG A 148 1.845 6.136 15.187 1.00 1.36 H new ATOM 0 HD2 ARG A 148 -0.179 6.237 16.413 1.00 1.57 H new ATOM 0 HD3 ARG A 148 0.296 7.918 16.273 1.00 1.57 H new ATOM 0 HE ARG A 148 -1.507 8.334 14.810 1.00 2.11 H new ATOM 0 HH11 ARG A 148 -1.160 4.844 15.297 1.00 2.76 H new ATOM 0 HH12 ARG A 148 -2.765 4.480 14.652 1.00 2.76 H new ATOM 0 HH21 ARG A 148 -3.588 7.872 14.059 1.00 2.83 H new ATOM 0 HH22 ARG A 148 -4.142 6.199 13.950 1.00 2.83 H new ATOM 2193 N HIS A 149 0.607 8.750 10.726 1.00 0.70 N ATOM 2194 CA HIS A 149 -0.505 9.064 9.839 1.00 0.75 C ATOM 2195 C HIS A 149 0.040 9.245 8.422 1.00 0.72 C ATOM 2196 O HIS A 149 0.593 10.303 8.106 1.00 1.02 O ATOM 2197 CB HIS A 149 -1.214 10.336 10.331 1.00 0.96 C ATOM 2198 CG HIS A 149 -1.760 10.229 11.734 1.00 1.13 C ATOM 2199 ND1 HIS A 149 -1.532 11.110 12.767 1.00 2.58 N ATOM 2200 CD2 HIS A 149 -2.532 9.212 12.228 1.00 1.08 C ATOM 2201 CE1 HIS A 149 -2.150 10.627 13.860 1.00 2.32 C ATOM 2202 NE2 HIS A 149 -2.757 9.457 13.590 1.00 1.01 N ATOM 0 H HIS A 149 1.419 9.346 10.569 1.00 0.70 H new ATOM 0 HA HIS A 149 -1.235 8.255 9.837 1.00 0.75 H new ATOM 0 HB2 HIS A 149 -0.514 11.170 10.287 1.00 0.96 H new ATOM 0 HB3 HIS A 149 -2.032 10.570 9.650 1.00 0.96 H new ATOM 0 HD1 HIS A 149 -0.992 11.974 12.713 1.00 2.58 H new ATOM 0 HD2 HIS A 149 -2.903 8.368 11.666 1.00 1.08 H new ATOM 0 HE1 HIS A 149 -2.158 11.113 14.824 1.00 2.32 H new ATOM 2210 N ILE A 150 -0.094 8.207 7.588 1.00 0.60 N ATOM 2211 CA ILE A 150 0.330 8.214 6.197 1.00 0.58 C ATOM 2212 C ILE A 150 -0.890 7.963 5.303 1.00 0.67 C ATOM 2213 O ILE A 150 -1.527 6.907 5.370 1.00 0.83 O ATOM 2214 CB ILE A 150 1.450 7.188 5.968 1.00 0.61 C ATOM 2215 CG1 ILE A 150 2.596 7.405 6.966 1.00 0.96 C ATOM 2216 CG2 ILE A 150 1.965 7.268 4.527 1.00 1.10 C ATOM 2217 CD1 ILE A 150 3.858 6.610 6.621 1.00 1.19 C ATOM 0 H ILE A 150 -0.511 7.322 7.876 1.00 0.60 H new ATOM 0 HA ILE A 150 0.747 9.187 5.936 1.00 0.58 H new ATOM 0 HB ILE A 150 1.041 6.191 6.131 1.00 0.61 H new ATOM 0 HG12 ILE A 150 2.842 8.466 7.001 1.00 0.96 H new ATOM 0 HG13 ILE A 150 2.258 7.123 7.963 1.00 0.96 H new ATOM 0 HG21 ILE A 150 2.758 6.534 4.383 1.00 1.10 H new ATOM 0 HG22 ILE A 150 1.148 7.060 3.836 1.00 1.10 H new ATOM 0 HG23 ILE A 150 2.356 8.267 4.335 1.00 1.10 H new ATOM 0 HD11 ILE A 150 4.628 6.809 7.366 1.00 1.19 H new ATOM 0 HD12 ILE A 150 3.626 5.545 6.614 1.00 1.19 H new ATOM 0 HD13 ILE A 150 4.219 6.909 5.637 1.00 1.19 H new ATOM 2229 N GLY A 151 -1.203 8.950 4.461 1.00 0.70 N ATOM 2230 CA GLY A 151 -2.303 8.916 3.522 1.00 0.79 C ATOM 2231 C GLY A 151 -1.896 8.097 2.303 1.00 0.73 C ATOM 2232 O GLY A 151 -1.008 8.484 1.543 1.00 0.94 O ATOM 0 H GLY A 151 -0.673 9.821 4.420 1.00 0.70 H new ATOM 0 HA2 GLY A 151 -3.184 8.478 3.991 1.00 0.79 H new ATOM 0 HA3 GLY A 151 -2.572 9.929 3.221 1.00 0.79 H new ATOM 2236 N LEU A 152 -2.553 6.953 2.123 1.00 0.72 N ATOM 2237 CA LEU A 152 -2.345 6.081 0.981 1.00 0.97 C ATOM 2238 C LEU A 152 -3.128 6.681 -0.191 1.00 0.67 C ATOM 2239 O LEU A 152 -4.300 6.362 -0.383 1.00 0.78 O ATOM 2240 CB LEU A 152 -2.813 4.670 1.376 1.00 1.42 C ATOM 2241 CG LEU A 152 -2.281 3.509 0.526 1.00 1.17 C ATOM 2242 CD1 LEU A 152 -2.642 3.662 -0.952 1.00 0.88 C ATOM 2243 CD2 LEU A 152 -0.775 3.304 0.700 1.00 1.25 C ATOM 0 H LEU A 152 -3.253 6.606 2.778 1.00 0.72 H new ATOM 0 HA LEU A 152 -1.301 5.999 0.678 1.00 0.97 H new ATOM 0 HB2 LEU A 152 -2.526 4.493 2.413 1.00 1.42 H new ATOM 0 HB3 LEU A 152 -3.902 4.649 1.339 1.00 1.42 H new ATOM 0 HG LEU A 152 -2.779 2.613 0.896 1.00 1.17 H new ATOM 0 HD11 LEU A 152 -2.244 2.817 -1.513 1.00 0.88 H new ATOM 0 HD12 LEU A 152 -3.726 3.692 -1.061 1.00 0.88 H new ATOM 0 HD13 LEU A 152 -2.213 4.587 -1.337 1.00 0.88 H new ATOM 0 HD21 LEU A 152 -0.447 2.471 0.078 1.00 1.25 H new ATOM 0 HD22 LEU A 152 -0.248 4.210 0.401 1.00 1.25 H new ATOM 0 HD23 LEU A 152 -0.556 3.085 1.745 1.00 1.25 H new ATOM 2255 N ALA A 153 -2.500 7.585 -0.950 1.00 0.75 N ATOM 2256 CA ALA A 153 -3.125 8.225 -2.100 1.00 0.97 C ATOM 2257 C ALA A 153 -2.686 7.516 -3.376 1.00 0.70 C ATOM 2258 O ALA A 153 -1.540 7.082 -3.477 1.00 1.01 O ATOM 2259 CB ALA A 153 -2.719 9.701 -2.147 1.00 1.70 C ATOM 0 H ALA A 153 -1.542 7.891 -0.779 1.00 0.75 H new ATOM 0 HA ALA A 153 -4.210 8.159 -2.013 1.00 0.97 H new ATOM 0 HB1 ALA A 153 -3.187 10.180 -3.007 1.00 1.70 H new ATOM 0 HB2 ALA A 153 -3.046 10.198 -1.233 1.00 1.70 H new ATOM 0 HB3 ALA A 153 -1.635 9.778 -2.234 1.00 1.70 H new ATOM 2265 N ALA A 154 -3.569 7.430 -4.373 1.00 0.78 N ATOM 2266 CA ALA A 154 -3.214 6.974 -5.705 1.00 0.66 C ATOM 2267 C ALA A 154 -4.155 7.590 -6.713 1.00 0.81 C ATOM 2268 O ALA A 154 -5.310 7.842 -6.379 1.00 1.04 O ATOM 2269 CB ALA A 154 -3.320 5.453 -5.812 1.00 0.87 C ATOM 0 H ALA A 154 -4.553 7.677 -4.272 1.00 0.78 H new ATOM 0 HA ALA A 154 -2.185 7.274 -5.903 1.00 0.66 H new ATOM 0 HB1 ALA A 154 -3.049 5.139 -6.820 1.00 0.87 H new ATOM 0 HB2 ALA A 154 -2.644 4.990 -5.093 1.00 0.87 H new ATOM 0 HB3 ALA A 154 -4.343 5.144 -5.599 1.00 0.87 H new ATOM 2275 N LYS A 155 -3.668 7.767 -7.940 1.00 0.83 N ATOM 2276 CA LYS A 155 -4.534 7.849 -9.095 1.00 0.87 C ATOM 2277 C LYS A 155 -3.748 7.453 -10.336 1.00 1.01 C ATOM 2278 O LYS A 155 -2.697 8.026 -10.616 1.00 1.42 O ATOM 2279 CB LYS A 155 -5.172 9.233 -9.248 1.00 1.23 C ATOM 2280 CG LYS A 155 -6.170 9.218 -10.419 1.00 1.91 C ATOM 2281 CD LYS A 155 -5.624 9.974 -11.640 1.00 2.57 C ATOM 2282 CE LYS A 155 -6.673 10.078 -12.761 1.00 3.91 C ATOM 2283 NZ LYS A 155 -6.826 8.826 -13.533 1.00 5.29 N ATOM 0 H LYS A 155 -2.674 7.856 -8.151 1.00 0.83 H new ATOM 0 HA LYS A 155 -5.362 7.154 -8.957 1.00 0.87 H new ATOM 0 HB2 LYS A 155 -5.682 9.513 -8.326 1.00 1.23 H new ATOM 0 HB3 LYS A 155 -4.400 9.982 -9.425 1.00 1.23 H new ATOM 0 HG2 LYS A 155 -6.389 8.187 -10.697 1.00 1.91 H new ATOM 0 HG3 LYS A 155 -7.110 9.669 -10.102 1.00 1.91 H new ATOM 0 HD2 LYS A 155 -5.312 10.974 -11.339 1.00 2.57 H new ATOM 0 HD3 LYS A 155 -4.738 9.464 -12.017 1.00 2.57 H new ATOM 0 HE2 LYS A 155 -7.635 10.349 -12.326 1.00 3.91 H new ATOM 0 HE3 LYS A 155 -6.392 10.884 -13.439 1.00 3.91 H new ATOM 0 HZ1 LYS A 155 -7.646 8.907 -14.168 1.00 5.29 H new ATOM 0 HZ2 LYS A 155 -5.968 8.658 -14.096 1.00 5.29 H new ATOM 0 HZ3 LYS A 155 -6.972 8.031 -12.879 1.00 5.29 H new ATOM 2297 N GLN A 156 -4.304 6.515 -11.097 1.00 1.00 N ATOM 2298 CA GLN A 156 -3.880 6.181 -12.438 1.00 1.29 C ATOM 2299 C GLN A 156 -5.035 6.631 -13.324 1.00 2.09 C ATOM 2300 O GLN A 156 -4.797 7.389 -14.290 1.00 2.68 O ATOM 2301 CB GLN A 156 -3.533 4.694 -12.578 1.00 1.58 C ATOM 2302 CG GLN A 156 -4.367 3.784 -11.678 1.00 1.83 C ATOM 2303 CD GLN A 156 -3.932 3.775 -10.208 1.00 2.85 C ATOM 2304 OE1 GLN A 156 -2.951 4.388 -9.798 1.00 4.33 O ATOM 2305 NE2 GLN A 156 -4.666 3.050 -9.383 1.00 2.74 N ATOM 0 H GLN A 156 -5.091 5.950 -10.778 1.00 1.00 H new ATOM 0 HA GLN A 156 -2.954 6.679 -12.724 1.00 1.29 H new ATOM 0 HB2 GLN A 156 -3.674 4.393 -13.616 1.00 1.58 H new ATOM 0 HB3 GLN A 156 -2.478 4.552 -12.346 1.00 1.58 H new ATOM 0 HG2 GLN A 156 -5.410 4.096 -11.734 1.00 1.83 H new ATOM 0 HG3 GLN A 156 -4.317 2.766 -12.065 1.00 1.83 H new ATOM 0 HE21 GLN A 156 -5.479 2.544 -9.734 1.00 2.74 H new ATOM 0 HE22 GLN A 156 -4.419 2.996 -8.395 1.00 2.74 H new