USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 936 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 77 LYS NZ :NH3+ -178:sc= 1.99 (180deg=0.984) USER MOD Set 1.2: A 81 THR OG1 : rot 74:sc= 2.06 USER MOD Single : A 14 THR OG1 : rot -40:sc= 0.837 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 1.16 (180deg=1.1) USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= 2.16 (180deg=0.479!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 27 TYR OH : rot 130:sc= -0.0817 USER MOD Single : A 29 CYS SG : rot -17:sc= -0.049 USER MOD Single : A 31 LYS NZ :NH3+ -139:sc= -1.47! (180deg=-3.03!) USER MOD Single : A 37 HIS : no HE2:sc= 1.15 K(o=1.1,f=-5.1!) USER MOD Single : A 40 HIS : no HD1:sc= -0.803 K(o=-0.8,f=-1.9!) USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= -0.486 (180deg=-0.535) USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 1.07 (180deg=-0.35) USER MOD Single : A 48 SER OG : rot -31:sc= 1.11 USER MOD Single : A 52 THR OG1 : rot -73:sc= 0.847 USER MOD Single : A 56 SER OG : rot 175:sc= 0.085 USER MOD Single : A 57 CYS SG : rot 64:sc= -0.502 USER MOD Single : A 59 THR OG1 : rot 110:sc= 1.2 USER MOD Single : A 60 SER OG : rot -77:sc= -1.21! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00755) USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 2.26 (180deg=2.15) USER MOD Single : A 71 TYR OH : rot 120:sc= -0.135 USER MOD Single : A 73 GLN : amide:sc= -0.767 K(o=-0.77,f=-5.7!) USER MOD Single : A 75 ASN : amide:sc= 1.11 K(o=1.1,f=-0.16) USER MOD Single : A 85 SER OG : rot -76:sc= 1.3 USER MOD Single : A 90 LYS NZ :NH3+ -159:sc= -1.55 (180deg=-2.14!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0.132 K(o=0.13,f=-0.41) USER MOD Single : A 93 ASN : amide:sc= 1.07 K(o=1.1,f=-0.015) USER MOD Single : A 97 GLN : amide:sc= 0.408 X(o=0.41,f=-0.028) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= 3.25 (180deg=2.85) USER MOD Single : A 100 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 105 LYS NZ :NH3+ 154:sc= 1.42 (180deg=-0.0952!) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 110 LYS NZ :NH3+ 147:sc= -0.315! (180deg=-2.33!) USER MOD Single : A 113 HIS : no HE2:sc= -1.23 K(o=-0.84,f=-5.3!) USER MOD Single : A 115 LYS NZ :NH3+ -176:sc= -0.963 (180deg=-1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 10 -19.830 2.555 8.422 1.00 0.00 N ATOM 2 CA GLU A 10 -18.354 2.647 8.355 1.00 0.00 C ATOM 3 C GLU A 10 -17.730 1.255 8.323 1.00 0.00 C ATOM 4 O GLU A 10 -16.777 1.030 7.570 1.00 0.00 O ATOM 5 CB GLU A 10 -17.748 3.520 9.491 1.00 0.00 C ATOM 6 CG GLU A 10 -17.908 2.951 10.883 1.00 0.00 C ATOM 7 CD GLU A 10 -19.346 2.745 11.247 1.00 0.00 C ATOM 8 OE1 GLU A 10 -19.878 1.663 10.887 1.00 0.00 O ATOM 9 OE2 GLU A 10 -19.970 3.661 11.719 1.00 0.00 O1- ATOM 0 HA GLU A 10 -18.109 3.157 7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.686 3.663 9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.214 4.505 9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -17.378 2.001 10.948 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.445 3.624 11.604 1.00 0.00 H new ATOM 16 N GLU A 11 -18.283 0.321 9.130 1.00 0.00 N ATOM 17 CA GLU A 11 -17.884 -1.101 9.134 1.00 0.00 C ATOM 18 C GLU A 11 -17.945 -1.611 7.708 1.00 0.00 C ATOM 19 O GLU A 11 -17.009 -2.224 7.199 1.00 0.00 O ATOM 20 CB GLU A 11 -18.871 -1.883 10.061 1.00 0.00 C ATOM 21 CG GLU A 11 -18.669 -3.414 10.214 1.00 0.00 C ATOM 22 CD GLU A 11 -18.991 -4.220 8.958 1.00 0.00 C ATOM 23 OE1 GLU A 11 -20.077 -4.045 8.386 1.00 0.00 O ATOM 24 OE2 GLU A 11 -18.154 -5.017 8.521 1.00 0.00 O1- ATOM 0 H GLU A 11 -19.022 0.536 9.799 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.871 -1.237 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.819 -1.438 11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.882 -1.715 9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.634 -3.605 10.499 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.296 -3.771 11.031 1.00 0.00 H new ATOM 31 N ASP A 12 -19.022 -1.252 7.060 1.00 0.00 N ATOM 32 CA ASP A 12 -19.313 -1.621 5.706 1.00 0.00 C ATOM 33 C ASP A 12 -18.222 -1.182 4.714 1.00 0.00 C ATOM 34 O ASP A 12 -17.953 -1.859 3.757 1.00 0.00 O ATOM 35 CB ASP A 12 -20.735 -1.137 5.293 1.00 0.00 C ATOM 36 CG ASP A 12 -20.965 0.364 5.441 1.00 0.00 C ATOM 37 OD1 ASP A 12 -20.635 0.939 6.528 1.00 0.00 O ATOM 38 OD2 ASP A 12 -21.497 0.996 4.497 1.00 0.00 O1- ATOM 0 H ASP A 12 -19.747 -0.671 7.481 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.312 -2.710 5.662 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.912 -1.417 4.255 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -21.473 -1.665 5.896 1.00 0.00 H new ATOM 43 N LEU A 13 -17.578 -0.089 4.965 1.00 0.00 N ATOM 44 CA LEU A 13 -16.527 0.369 4.065 1.00 0.00 C ATOM 45 C LEU A 13 -15.153 -0.162 4.481 1.00 0.00 C ATOM 46 O LEU A 13 -14.182 0.005 3.754 1.00 0.00 O ATOM 47 CB LEU A 13 -16.478 1.927 3.828 1.00 0.00 C ATOM 48 CG LEU A 13 -17.752 2.649 3.351 1.00 0.00 C ATOM 49 CD1 LEU A 13 -18.828 2.599 4.398 1.00 0.00 C ATOM 50 CD2 LEU A 13 -17.462 4.091 3.105 1.00 0.00 C ATOM 0 H LEU A 13 -17.746 0.510 5.773 1.00 0.00 H new ATOM 0 HA LEU A 13 -16.798 -0.058 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -16.166 2.393 4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -15.694 2.124 3.097 1.00 0.00 H new ATOM 0 HG LEU A 13 -18.082 2.147 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -19.715 3.117 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -19.077 1.560 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -18.473 3.084 5.308 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -18.369 4.592 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -17.113 4.554 4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -16.692 4.182 2.339 1.00 0.00 H new ATOM 62 N THR A 14 -14.950 -0.749 5.661 1.00 0.00 N ATOM 63 CA THR A 14 -13.499 -0.762 5.879 1.00 0.00 C ATOM 64 C THR A 14 -12.965 -2.236 5.990 1.00 0.00 C ATOM 65 O THR A 14 -11.698 -2.121 5.925 1.00 0.00 O ATOM 66 CB THR A 14 -13.148 -0.034 7.138 1.00 0.00 C ATOM 67 OG1 THR A 14 -14.139 0.360 8.106 1.00 0.00 O ATOM 68 CG2 THR A 14 -12.696 1.164 6.323 1.00 0.00 C ATOM 0 H THR A 14 -15.597 -1.141 6.345 1.00 0.00 H new ATOM 0 HA THR A 14 -13.036 -0.267 5.025 1.00 0.00 H new ATOM 0 HB THR A 14 -12.532 -0.602 7.835 1.00 0.00 H new ATOM 0 HG1 THR A 14 -14.941 0.680 7.642 1.00 0.00 H new ATOM 0 HG21 THR A 14 -12.347 1.949 6.993 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.884 0.867 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 14 -13.531 1.537 5.731 1.00 0.00 H new ATOM 76 N GLU A 15 -13.537 -3.547 5.988 1.00 0.00 N ATOM 77 CA GLU A 15 -12.677 -4.755 5.864 1.00 0.00 C ATOM 78 C GLU A 15 -12.109 -4.790 4.460 1.00 0.00 C ATOM 79 O GLU A 15 -10.920 -5.071 4.219 1.00 0.00 O ATOM 80 CB GLU A 15 -13.386 -6.101 6.182 1.00 0.00 C ATOM 81 CG GLU A 15 -14.364 -6.678 5.145 1.00 0.00 C ATOM 82 CD GLU A 15 -15.647 -5.934 4.995 1.00 0.00 C ATOM 83 OE1 GLU A 15 -15.627 -4.710 4.789 1.00 0.00 O ATOM 84 OE2 GLU A 15 -16.691 -6.571 5.035 1.00 0.00 O1- ATOM 0 H GLU A 15 -14.535 -3.739 6.068 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.897 -4.663 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.613 -6.849 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.931 -5.976 7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.865 -6.707 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.591 -7.709 5.418 1.00 0.00 H new ATOM 91 N VAL A 16 -12.992 -4.452 3.577 1.00 0.00 N ATOM 92 CA VAL A 16 -12.796 -4.237 2.164 1.00 0.00 C ATOM 93 C VAL A 16 -11.576 -3.388 1.821 1.00 0.00 C ATOM 94 O VAL A 16 -11.075 -3.447 0.702 1.00 0.00 O ATOM 95 CB VAL A 16 -14.032 -3.682 1.526 1.00 0.00 C ATOM 96 CG1 VAL A 16 -15.060 -4.794 1.368 1.00 0.00 C ATOM 97 CG2 VAL A 16 -14.556 -2.642 2.424 1.00 0.00 C ATOM 0 H VAL A 16 -13.965 -4.303 3.845 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.591 -5.223 1.748 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.815 -3.267 0.542 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.961 -4.393 0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.648 -5.583 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -15.308 -5.203 2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.460 -2.211 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.790 -3.082 3.393 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.807 -1.860 2.552 1.00 0.00 H new ATOM 107 N LYS A 17 -11.165 -2.526 2.763 1.00 0.00 N ATOM 108 CA LYS A 17 -9.937 -1.726 2.668 1.00 0.00 C ATOM 109 C LYS A 17 -8.768 -2.594 2.136 1.00 0.00 C ATOM 110 O LYS A 17 -7.961 -2.134 1.337 1.00 0.00 O ATOM 111 CB LYS A 17 -9.597 -1.180 4.060 1.00 0.00 C ATOM 112 CG LYS A 17 -8.303 -0.402 4.162 1.00 0.00 C ATOM 113 CD LYS A 17 -8.023 -0.005 5.601 1.00 0.00 C ATOM 114 CE LYS A 17 -6.680 0.686 5.732 1.00 0.00 C ATOM 115 NZ LYS A 17 -6.370 1.026 7.141 1.00 0.00 N1+ ATOM 0 H LYS A 17 -11.685 -2.363 3.625 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.091 -0.900 1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.413 -0.536 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.552 -2.017 4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.480 -1.006 3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.360 0.490 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.811 0.658 5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.041 -0.892 6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.898 0.039 5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.679 1.595 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.494 1.586 7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.152 1.580 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.245 0.151 7.690 1.00 0.00 H new ATOM 129 N LYS A 18 -8.735 -3.860 2.557 1.00 0.00 N ATOM 130 CA LYS A 18 -7.769 -4.855 2.075 1.00 0.00 C ATOM 131 C LYS A 18 -7.759 -4.925 0.531 1.00 0.00 C ATOM 132 O LYS A 18 -6.691 -5.025 -0.104 1.00 0.00 O ATOM 133 CB LYS A 18 -8.127 -6.247 2.699 1.00 0.00 C ATOM 134 CG LYS A 18 -7.728 -7.478 1.870 1.00 0.00 C ATOM 135 CD LYS A 18 -6.237 -7.565 1.623 1.00 0.00 C ATOM 136 CE LYS A 18 -5.936 -8.469 0.437 1.00 0.00 C ATOM 137 NZ LYS A 18 -6.654 -8.031 -0.796 1.00 0.00 N1+ ATOM 0 H LYS A 18 -9.385 -4.230 3.251 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.766 -4.563 2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.648 -6.320 3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.203 -6.281 2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.059 -8.380 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.249 -7.449 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.836 -6.569 1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.738 -7.948 2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.862 -8.475 0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.223 -9.492 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.165 -8.406 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.630 -8.389 -0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.667 -6.992 -0.839 1.00 0.00 H new ATOM 151 N ASP A 19 -8.912 -4.844 -0.053 1.00 0.00 N ATOM 152 CA ASP A 19 -9.044 -4.994 -1.473 1.00 0.00 C ATOM 153 C ASP A 19 -8.914 -3.653 -2.185 1.00 0.00 C ATOM 154 O ASP A 19 -8.591 -3.598 -3.368 1.00 0.00 O ATOM 155 CB ASP A 19 -10.323 -5.759 -1.839 1.00 0.00 C ATOM 156 CG ASP A 19 -10.352 -7.152 -1.201 1.00 0.00 C ATOM 157 OD1 ASP A 19 -9.285 -7.847 -1.196 1.00 0.00 O ATOM 158 OD2 ASP A 19 -11.416 -7.550 -0.651 1.00 0.00 O1- ATOM 0 H ASP A 19 -9.790 -4.672 0.438 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.217 -5.607 -1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.193 -5.191 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.393 -5.853 -2.923 1.00 0.00 H new ATOM 163 N ALA A 20 -9.124 -2.556 -1.449 1.00 0.00 N ATOM 164 CA ALA A 20 -8.850 -1.211 -1.992 1.00 0.00 C ATOM 165 C ALA A 20 -7.364 -1.094 -2.195 1.00 0.00 C ATOM 166 O ALA A 20 -6.886 -0.723 -3.271 1.00 0.00 O ATOM 167 CB ALA A 20 -9.278 -0.112 -1.030 1.00 0.00 C ATOM 0 H ALA A 20 -9.476 -2.566 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.409 -1.092 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.058 0.861 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.348 -0.191 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.734 -0.218 -0.091 1.00 0.00 H new ATOM 173 N LEU A 21 -6.632 -1.472 -1.153 1.00 0.00 N ATOM 174 CA LEU A 21 -5.188 -1.445 -1.168 1.00 0.00 C ATOM 175 C LEU A 21 -4.630 -2.446 -2.177 1.00 0.00 C ATOM 176 O LEU A 21 -3.522 -2.297 -2.632 1.00 0.00 O ATOM 177 CB LEU A 21 -4.585 -1.673 0.245 1.00 0.00 C ATOM 178 CG LEU A 21 -4.529 -0.460 1.233 1.00 0.00 C ATOM 179 CD1 LEU A 21 -3.646 0.643 0.703 1.00 0.00 C ATOM 180 CD2 LEU A 21 -5.899 0.104 1.537 1.00 0.00 C ATOM 0 H LEU A 21 -7.031 -1.805 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.888 -0.446 -1.484 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.156 -2.467 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.568 -2.044 0.117 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.107 -0.850 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.630 1.469 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.634 0.264 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.036 0.994 -0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.802 0.943 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.365 0.446 0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.518 -0.670 1.991 1.00 0.00 H new ATOM 192 N GLU A 22 -5.442 -3.429 -2.554 1.00 0.00 N ATOM 193 CA GLU A 22 -5.045 -4.444 -3.524 1.00 0.00 C ATOM 194 C GLU A 22 -4.891 -3.796 -4.906 1.00 0.00 C ATOM 195 O GLU A 22 -3.854 -3.914 -5.555 1.00 0.00 O ATOM 196 CB GLU A 22 -6.105 -5.545 -3.595 1.00 0.00 C ATOM 197 CG GLU A 22 -5.631 -6.821 -4.246 1.00 0.00 C ATOM 198 CD GLU A 22 -4.652 -7.533 -3.363 1.00 0.00 C ATOM 199 OE1 GLU A 22 -3.537 -7.034 -3.170 1.00 0.00 O1- ATOM 200 OE2 GLU A 22 -5.019 -8.555 -2.769 1.00 0.00 O ATOM 0 H GLU A 22 -6.391 -3.544 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.096 -4.881 -3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.446 -5.771 -2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.967 -5.168 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.483 -7.469 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.166 -6.595 -5.205 1.00 0.00 H new ATOM 207 N ASN A 23 -5.930 -3.079 -5.329 1.00 0.00 N ATOM 208 CA ASN A 23 -5.919 -2.370 -6.625 1.00 0.00 C ATOM 209 C ASN A 23 -4.872 -1.278 -6.588 1.00 0.00 C ATOM 210 O ASN A 23 -4.177 -0.998 -7.570 1.00 0.00 O ATOM 211 CB ASN A 23 -7.288 -1.724 -6.925 1.00 0.00 C ATOM 212 CG ASN A 23 -8.429 -2.716 -7.035 1.00 0.00 C ATOM 213 OD1 ASN A 23 -8.246 -3.855 -7.426 1.00 0.00 O ATOM 214 ND2 ASN A 23 -9.618 -2.282 -6.693 1.00 0.00 N ATOM 0 H ASN A 23 -6.795 -2.968 -4.799 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.696 -3.098 -7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.519 -1.006 -6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.217 -1.163 -7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.424 -2.904 -6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.737 -1.322 -6.370 1.00 0.00 H new ATOM 221 N LEU A 24 -4.753 -0.690 -5.432 1.00 0.00 N ATOM 222 CA LEU A 24 -3.832 0.379 -5.166 1.00 0.00 C ATOM 223 C LEU A 24 -2.379 -0.105 -5.267 1.00 0.00 C ATOM 224 O LEU A 24 -1.528 0.591 -5.803 1.00 0.00 O ATOM 225 CB LEU A 24 -4.190 0.944 -3.809 1.00 0.00 C ATOM 226 CG LEU A 24 -3.391 2.092 -3.269 1.00 0.00 C ATOM 227 CD1 LEU A 24 -4.322 2.981 -2.465 1.00 0.00 C ATOM 228 CD2 LEU A 24 -2.242 1.582 -2.396 1.00 0.00 C ATOM 0 H LEU A 24 -5.314 -0.950 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.911 1.171 -5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.233 1.258 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.128 0.130 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.953 2.661 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.762 3.824 -2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.119 3.350 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.755 2.408 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.673 2.429 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.646 1.009 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.588 0.945 -2.991 1.00 0.00 H new ATOM 240 N ARG A 25 -2.139 -1.309 -4.783 1.00 0.00 N ATOM 241 CA ARG A 25 -0.851 -2.022 -4.879 1.00 0.00 C ATOM 242 C ARG A 25 -0.410 -2.126 -6.349 1.00 0.00 C ATOM 243 O ARG A 25 0.785 -2.162 -6.666 1.00 0.00 O ATOM 244 CB ARG A 25 -1.071 -3.409 -4.242 1.00 0.00 C ATOM 245 CG ARG A 25 -0.040 -4.503 -4.477 1.00 0.00 C ATOM 246 CD ARG A 25 -0.583 -5.798 -3.872 1.00 0.00 C ATOM 247 NE ARG A 25 0.253 -6.990 -4.107 1.00 0.00 N ATOM 248 CZ ARG A 25 -0.174 -8.263 -3.915 1.00 0.00 C ATOM 249 NH1 ARG A 25 -1.436 -8.510 -3.570 1.00 0.00 N1+ ATOM 250 NH2 ARG A 25 0.657 -9.278 -4.079 1.00 0.00 N ATOM 0 H ARG A 25 -2.852 -1.848 -4.292 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.054 -1.493 -4.357 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.158 -3.266 -3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.033 -3.783 -4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.146 -4.629 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.911 -4.236 -4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.699 -5.659 -2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.577 -5.983 -4.279 1.00 0.00 H new ATOM 0 HE ARG A 25 1.209 -6.849 -4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.092 -7.738 -3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.747 -9.471 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.625 -9.106 -4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.330 -10.233 -3.933 1.00 0.00 H new ATOM 264 N VAL A 26 -1.385 -2.138 -7.232 1.00 0.00 N ATOM 265 CA VAL A 26 -1.136 -2.184 -8.641 1.00 0.00 C ATOM 266 C VAL A 26 -0.908 -0.766 -9.211 1.00 0.00 C ATOM 267 O VAL A 26 0.121 -0.517 -9.861 1.00 0.00 O ATOM 268 CB VAL A 26 -2.301 -2.881 -9.407 1.00 0.00 C ATOM 269 CG1 VAL A 26 -2.006 -2.969 -10.902 1.00 0.00 C ATOM 270 CG2 VAL A 26 -2.569 -4.268 -8.835 1.00 0.00 C ATOM 0 H VAL A 26 -2.374 -2.116 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.230 -2.773 -8.786 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.195 -2.272 -9.275 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.837 -3.460 -11.409 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.876 -1.965 -11.307 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.094 -3.545 -11.060 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.386 -4.736 -9.384 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.671 -4.879 -8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.842 -4.181 -7.783 1.00 0.00 H new ATOM 280 N TYR A 27 -1.835 0.170 -8.945 1.00 0.00 N ATOM 281 CA TYR A 27 -1.755 1.501 -9.575 1.00 0.00 C ATOM 282 C TYR A 27 -0.760 2.473 -8.934 1.00 0.00 C ATOM 283 O TYR A 27 -0.039 3.161 -9.641 1.00 0.00 O ATOM 284 CB TYR A 27 -3.151 2.197 -9.779 1.00 0.00 C ATOM 285 CG TYR A 27 -3.975 2.609 -8.525 1.00 0.00 C ATOM 286 CD1 TYR A 27 -3.531 3.605 -7.636 1.00 0.00 C ATOM 287 CD2 TYR A 27 -5.215 2.033 -8.270 1.00 0.00 C ATOM 288 CE1 TYR A 27 -4.291 3.992 -6.541 1.00 0.00 C ATOM 289 CE2 TYR A 27 -5.984 2.429 -7.183 1.00 0.00 C ATOM 290 CZ TYR A 27 -5.514 3.404 -6.324 1.00 0.00 C ATOM 291 OH TYR A 27 -6.280 3.801 -5.252 1.00 0.00 O ATOM 0 H TYR A 27 -2.627 0.038 -8.317 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.354 1.261 -10.560 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -2.988 3.094 -10.376 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.770 1.526 -10.375 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.576 4.080 -7.810 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.587 1.263 -8.930 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.924 4.750 -5.864 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.949 1.975 -7.009 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.190 3.999 -5.556 1.00 0.00 H new ATOM 301 N LEU A 28 -0.668 2.470 -7.615 1.00 0.00 N ATOM 302 CA LEU A 28 0.051 3.528 -6.894 1.00 0.00 C ATOM 303 C LEU A 28 1.565 3.518 -7.117 1.00 0.00 C ATOM 304 O LEU A 28 2.236 4.489 -6.806 1.00 0.00 O ATOM 305 CB LEU A 28 -0.299 3.528 -5.392 1.00 0.00 C ATOM 306 CG LEU A 28 -0.855 4.852 -4.821 1.00 0.00 C ATOM 307 CD1 LEU A 28 -1.078 4.761 -3.336 1.00 0.00 C ATOM 308 CD2 LEU A 28 0.051 6.015 -5.136 1.00 0.00 C ATOM 0 H LEU A 28 -1.078 1.753 -7.016 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.300 4.464 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.032 2.742 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.597 3.263 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.817 5.025 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.469 5.709 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.793 3.966 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.133 4.541 -2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.372 6.929 -4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.034 5.838 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.146 6.120 -6.217 1.00 0.00 H new ATOM 320 N CYS A 29 2.078 2.454 -7.696 1.00 0.00 N ATOM 321 CA CYS A 29 3.514 2.296 -7.966 1.00 0.00 C ATOM 322 C CYS A 29 4.109 3.468 -8.778 1.00 0.00 C ATOM 323 O CYS A 29 5.315 3.708 -8.725 1.00 0.00 O ATOM 324 CB CYS A 29 3.750 0.979 -8.705 1.00 0.00 C ATOM 325 SG CYS A 29 5.453 0.707 -9.246 1.00 0.00 S ATOM 0 H CYS A 29 1.515 1.660 -8.000 1.00 0.00 H new ATOM 0 HA CYS A 29 4.025 2.291 -7.003 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.455 0.156 -8.054 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.097 0.946 -9.577 1.00 0.00 H new ATOM 0 HG CYS A 29 6.098 1.836 -9.233 1.00 0.00 H new ATOM 331 N GLU A 30 3.280 4.178 -9.525 1.00 0.00 N ATOM 332 CA GLU A 30 3.764 5.282 -10.316 1.00 0.00 C ATOM 333 C GLU A 30 3.729 6.642 -9.564 1.00 0.00 C ATOM 334 O GLU A 30 4.071 7.700 -10.129 1.00 0.00 O ATOM 335 CB GLU A 30 3.152 5.275 -11.749 1.00 0.00 C ATOM 336 CG GLU A 30 1.625 5.213 -11.850 1.00 0.00 C ATOM 337 CD GLU A 30 0.973 6.528 -11.572 1.00 0.00 C ATOM 338 OE1 GLU A 30 0.779 7.315 -12.514 1.00 0.00 O ATOM 339 OE2 GLU A 30 0.719 6.853 -10.407 1.00 0.00 O1- ATOM 0 H GLU A 30 2.277 4.007 -9.596 1.00 0.00 H new ATOM 0 HA GLU A 30 4.832 5.133 -10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.490 6.173 -12.267 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.563 4.422 -12.289 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.345 4.877 -12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.249 4.470 -11.147 1.00 0.00 H new ATOM 346 N LYS A 31 3.276 6.618 -8.298 1.00 0.00 N ATOM 347 CA LYS A 31 3.379 7.794 -7.415 1.00 0.00 C ATOM 348 C LYS A 31 4.178 7.465 -6.162 1.00 0.00 C ATOM 349 O LYS A 31 4.893 8.312 -5.633 1.00 0.00 O ATOM 350 CB LYS A 31 2.005 8.362 -7.022 1.00 0.00 C ATOM 351 CG LYS A 31 1.208 8.869 -8.176 1.00 0.00 C ATOM 352 CD LYS A 31 1.821 10.115 -8.739 1.00 0.00 C ATOM 353 CE LYS A 31 1.232 10.435 -10.091 1.00 0.00 C ATOM 354 NZ LYS A 31 1.529 9.351 -11.041 1.00 0.00 N1+ ATOM 0 H LYS A 31 2.838 5.804 -7.866 1.00 0.00 H new ATOM 0 HA LYS A 31 3.901 8.562 -7.986 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.434 7.586 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.149 9.173 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.153 8.104 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.186 9.073 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.654 10.949 -8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.900 9.988 -8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.154 10.568 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.640 11.375 -10.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.783 9.758 -11.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.323 8.783 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.691 8.745 -11.149 1.00 0.00 H new ATOM 368 N ILE A 32 4.093 6.233 -5.705 1.00 0.00 N ATOM 369 CA ILE A 32 4.862 5.838 -4.560 1.00 0.00 C ATOM 370 C ILE A 32 6.028 5.009 -4.993 1.00 0.00 C ATOM 371 O ILE A 32 5.911 3.821 -5.300 1.00 0.00 O ATOM 372 CB ILE A 32 4.036 5.110 -3.421 1.00 0.00 C ATOM 373 CG1 ILE A 32 4.965 4.611 -2.276 1.00 0.00 C ATOM 374 CG2 ILE A 32 3.186 3.969 -3.956 1.00 0.00 C ATOM 375 CD1 ILE A 32 4.230 3.877 -1.167 1.00 0.00 C ATOM 0 H ILE A 32 3.506 5.502 -6.107 1.00 0.00 H new ATOM 0 HA ILE A 32 5.209 6.763 -4.099 1.00 0.00 H new ATOM 0 HB ILE A 32 3.354 5.856 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.722 3.950 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.490 5.465 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.641 3.505 -3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.478 4.356 -4.689 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.829 3.227 -4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.943 3.560 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.492 4.541 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.728 3.002 -1.580 1.00 0.00 H new ATOM 387 N ILE A 33 7.150 5.633 -5.078 1.00 0.00 N ATOM 388 CA ILE A 33 8.312 4.892 -5.363 1.00 0.00 C ATOM 389 C ILE A 33 8.847 4.426 -4.021 1.00 0.00 C ATOM 390 O ILE A 33 9.093 5.244 -3.119 1.00 0.00 O ATOM 391 CB ILE A 33 9.357 5.794 -6.086 1.00 0.00 C ATOM 392 CG1 ILE A 33 8.786 6.368 -7.405 1.00 0.00 C ATOM 393 CG2 ILE A 33 10.658 5.056 -6.337 1.00 0.00 C ATOM 394 CD1 ILE A 33 8.367 5.322 -8.430 1.00 0.00 C ATOM 0 H ILE A 33 7.281 6.637 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 33 8.103 4.048 -6.021 1.00 0.00 H new ATOM 0 HB ILE A 33 9.575 6.629 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.923 6.991 -7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.536 7.018 -7.856 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.360 5.719 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.083 4.734 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.467 4.184 -6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.980 5.819 -9.320 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.229 4.712 -8.701 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.592 4.685 -8.004 1.00 0.00 H new ATOM 406 N ALA A 34 9.039 3.143 -3.880 1.00 0.00 N ATOM 407 CA ALA A 34 9.543 2.586 -2.637 1.00 0.00 C ATOM 408 C ALA A 34 10.998 2.714 -2.561 1.00 0.00 C ATOM 409 O ALA A 34 11.547 2.892 -1.507 1.00 0.00 O ATOM 410 CB ALA A 34 9.189 1.165 -2.503 1.00 0.00 C ATOM 0 H ALA A 34 8.856 2.454 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 34 9.080 3.149 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.581 0.779 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.104 1.058 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.618 0.603 -3.333 1.00 0.00 H new ATOM 416 N GLU A 35 11.591 2.630 -3.705 1.00 0.00 N ATOM 417 CA GLU A 35 13.007 2.691 -3.911 1.00 0.00 C ATOM 418 C GLU A 35 13.669 3.849 -3.120 1.00 0.00 C ATOM 419 O GLU A 35 14.600 3.634 -2.354 1.00 0.00 O ATOM 420 CB GLU A 35 13.212 2.771 -5.423 1.00 0.00 C ATOM 421 CG GLU A 35 14.608 3.184 -5.929 1.00 0.00 C ATOM 422 CD GLU A 35 15.786 2.479 -5.288 1.00 0.00 C ATOM 423 OE1 GLU A 35 15.837 1.249 -5.318 1.00 0.00 O ATOM 424 OE2 GLU A 35 16.722 3.190 -4.848 1.00 0.00 O1- ATOM 0 H GLU A 35 11.073 2.510 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 35 13.507 1.806 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.975 1.795 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.486 3.478 -5.824 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.648 3.010 -7.004 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.725 4.257 -5.775 1.00 0.00 H new ATOM 431 N ARG A 36 13.128 5.049 -3.228 1.00 0.00 N ATOM 432 CA ARG A 36 13.726 6.167 -2.521 1.00 0.00 C ATOM 433 C ARG A 36 13.261 6.225 -1.056 1.00 0.00 C ATOM 434 O ARG A 36 13.805 6.962 -0.237 1.00 0.00 O ATOM 435 CB ARG A 36 13.537 7.496 -3.272 1.00 0.00 C ATOM 436 CG ARG A 36 14.481 8.619 -2.803 1.00 0.00 C ATOM 437 CD ARG A 36 15.958 8.152 -2.791 1.00 0.00 C ATOM 438 NE ARG A 36 16.389 7.583 -4.091 1.00 0.00 N ATOM 439 CZ ARG A 36 16.711 6.272 -4.298 1.00 0.00 C ATOM 440 NH1 ARG A 36 16.772 5.414 -3.288 1.00 0.00 N1+ ATOM 441 NH2 ARG A 36 17.000 5.832 -5.509 1.00 0.00 N ATOM 0 H ARG A 36 12.300 5.272 -3.781 1.00 0.00 H new ATOM 0 HA ARG A 36 14.802 5.998 -2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.693 7.325 -4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.506 7.827 -3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.377 9.482 -3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.193 8.944 -1.803 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.600 8.996 -2.538 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.092 7.404 -2.009 1.00 0.00 H new ATOM 0 HE ARG A 36 16.449 8.217 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.577 5.730 -2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.014 4.438 -3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.984 6.473 -6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 36 17.239 4.851 -5.652 1.00 0.00 H new ATOM 455 N HIS A 37 12.260 5.440 -0.737 1.00 0.00 N ATOM 456 CA HIS A 37 11.757 5.361 0.621 1.00 0.00 C ATOM 457 C HIS A 37 12.520 4.316 1.424 1.00 0.00 C ATOM 458 O HIS A 37 12.717 4.512 2.593 1.00 0.00 O ATOM 459 CB HIS A 37 10.240 5.052 0.681 1.00 0.00 C ATOM 460 CG HIS A 37 9.320 6.221 0.421 1.00 0.00 C ATOM 461 ND1 HIS A 37 8.682 6.441 -0.780 1.00 0.00 N ATOM 462 CD2 HIS A 37 8.887 7.207 1.249 1.00 0.00 C ATOM 463 CE1 HIS A 37 7.902 7.501 -0.682 1.00 0.00 C ATOM 464 NE2 HIS A 37 8.006 7.984 0.536 1.00 0.00 N ATOM 0 H HIS A 37 11.772 4.841 -1.403 1.00 0.00 H new ATOM 0 HA HIS A 37 11.913 6.346 1.060 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.019 4.271 -0.046 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.010 4.645 1.666 1.00 0.00 H new ATOM 0 HD1 HIS A 37 8.795 5.871 -1.618 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.181 7.353 2.278 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.283 7.904 -1.470 1.00 0.00 H new ATOM 473 N PHE A 38 12.993 3.252 0.741 1.00 0.00 N ATOM 474 CA PHE A 38 13.651 2.046 1.339 1.00 0.00 C ATOM 475 C PHE A 38 14.558 2.345 2.530 1.00 0.00 C ATOM 476 O PHE A 38 14.373 1.768 3.603 1.00 0.00 O ATOM 477 CB PHE A 38 14.424 1.251 0.263 1.00 0.00 C ATOM 478 CG PHE A 38 15.225 0.087 0.813 1.00 0.00 C ATOM 479 CD1 PHE A 38 14.597 -1.073 1.236 1.00 0.00 C ATOM 480 CD2 PHE A 38 16.608 0.172 0.924 1.00 0.00 C ATOM 481 CE1 PHE A 38 15.330 -2.123 1.754 1.00 0.00 C ATOM 482 CE2 PHE A 38 17.342 -0.875 1.444 1.00 0.00 C ATOM 483 CZ PHE A 38 16.702 -2.024 1.859 1.00 0.00 C ATOM 0 H PHE A 38 12.931 3.196 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 38 12.835 1.440 1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 38 13.716 0.875 -0.475 1.00 0.00 H new ATOM 0 HB3 PHE A 38 15.099 1.929 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 38 13.523 -1.157 1.160 1.00 0.00 H new ATOM 0 HD2 PHE A 38 17.115 1.069 0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 38 14.828 -3.023 2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 38 18.416 -0.795 1.526 1.00 0.00 H new ATOM 0 HZ PHE A 38 17.274 -2.845 2.266 1.00 0.00 H new ATOM 493 N ASP A 39 15.510 3.246 2.340 1.00 0.00 N ATOM 494 CA ASP A 39 16.451 3.651 3.406 1.00 0.00 C ATOM 495 C ASP A 39 15.719 4.027 4.691 1.00 0.00 C ATOM 496 O ASP A 39 16.007 3.504 5.771 1.00 0.00 O ATOM 497 CB ASP A 39 17.316 4.829 2.930 1.00 0.00 C ATOM 498 CG ASP A 39 18.103 5.478 4.059 1.00 0.00 C ATOM 499 OD1 ASP A 39 18.798 4.761 4.786 1.00 0.00 O ATOM 500 OD2 ASP A 39 17.968 6.705 4.246 1.00 0.00 O1- ATOM 0 H ASP A 39 15.662 3.723 1.451 1.00 0.00 H new ATOM 0 HA ASP A 39 17.091 2.796 3.624 1.00 0.00 H new ATOM 0 HB2 ASP A 39 18.009 4.479 2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.676 5.578 2.462 1.00 0.00 H new ATOM 505 N HIS A 40 14.711 4.835 4.531 1.00 0.00 N ATOM 506 CA HIS A 40 13.944 5.368 5.632 1.00 0.00 C ATOM 507 C HIS A 40 12.773 4.471 5.983 1.00 0.00 C ATOM 508 O HIS A 40 12.186 4.610 7.007 1.00 0.00 O ATOM 509 CB HIS A 40 13.521 6.826 5.375 1.00 0.00 C ATOM 510 CG HIS A 40 14.709 7.730 5.208 1.00 0.00 C ATOM 511 ND1 HIS A 40 14.903 8.543 4.111 1.00 0.00 N ATOM 512 CD2 HIS A 40 15.804 7.885 5.983 1.00 0.00 C ATOM 513 CE1 HIS A 40 16.073 9.144 4.224 1.00 0.00 C ATOM 514 NE2 HIS A 40 16.644 8.758 5.345 1.00 0.00 N ATOM 0 H HIS A 40 14.389 5.151 3.616 1.00 0.00 H new ATOM 0 HA HIS A 40 14.592 5.385 6.509 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.900 6.872 4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 40 12.910 7.179 6.205 1.00 0.00 H new ATOM 0 HD2 HIS A 40 15.985 7.407 6.934 1.00 0.00 H new ATOM 0 HE1 HIS A 40 16.493 9.839 3.512 1.00 0.00 H new ATOM 0 HE2 HIS A 40 17.559 9.059 5.682 1.00 0.00 H new ATOM 523 N LEU A 41 12.425 3.577 5.089 1.00 0.00 N ATOM 524 CA LEU A 41 11.333 2.623 5.290 1.00 0.00 C ATOM 525 C LEU A 41 11.725 1.632 6.398 1.00 0.00 C ATOM 526 O LEU A 41 10.877 1.055 7.102 1.00 0.00 O ATOM 527 CB LEU A 41 11.065 1.911 3.968 1.00 0.00 C ATOM 528 CG LEU A 41 9.764 1.150 3.859 1.00 0.00 C ATOM 529 CD1 LEU A 41 9.050 1.579 2.597 1.00 0.00 C ATOM 530 CD2 LEU A 41 10.012 -0.345 3.856 1.00 0.00 C ATOM 0 H LEU A 41 12.891 3.481 4.187 1.00 0.00 H new ATOM 0 HA LEU A 41 10.421 3.131 5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.093 2.653 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.883 1.214 3.785 1.00 0.00 H new ATOM 0 HG LEU A 41 9.139 1.375 4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.109 1.036 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.848 2.649 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.677 1.362 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.061 -0.871 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.644 -0.607 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.510 -0.633 4.782 1.00 0.00 H new ATOM 542 N ARG A 42 13.035 1.524 6.596 1.00 0.00 N ATOM 543 CA ARG A 42 13.653 0.721 7.652 1.00 0.00 C ATOM 544 C ARG A 42 13.418 1.374 9.029 1.00 0.00 C ATOM 545 O ARG A 42 13.891 0.891 10.068 1.00 0.00 O ATOM 546 CB ARG A 42 15.152 0.563 7.366 1.00 0.00 C ATOM 547 CG ARG A 42 15.435 -0.115 6.030 1.00 0.00 C ATOM 548 CD ARG A 42 16.924 -0.267 5.752 1.00 0.00 C ATOM 549 NE ARG A 42 17.643 1.021 5.597 1.00 0.00 N ATOM 550 CZ ARG A 42 18.943 1.125 5.249 1.00 0.00 C ATOM 551 NH1 ARG A 42 19.658 0.016 5.017 1.00 0.00 N1+ ATOM 552 NH2 ARG A 42 19.519 2.310 5.104 1.00 0.00 N ATOM 0 H ARG A 42 13.718 2.006 6.011 1.00 0.00 H new ATOM 0 HA ARG A 42 13.195 -0.268 7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.624 1.546 7.376 1.00 0.00 H new ATOM 0 HB3 ARG A 42 15.610 -0.018 8.166 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.965 -1.099 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 42 14.977 0.465 5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 42 17.380 -0.830 6.567 1.00 0.00 H new ATOM 0 HD3 ARG A 42 17.056 -0.856 4.845 1.00 0.00 H new ATOM 0 HE ARG A 42 17.122 1.882 5.764 1.00 0.00 H new ATOM 0 HH11 ARG A 42 19.220 -0.901 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 42 20.641 0.089 4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.979 3.162 5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 42 20.503 2.370 4.841 1.00 0.00 H new ATOM 566 N ALA A 43 12.724 2.491 9.023 1.00 0.00 N ATOM 567 CA ALA A 43 12.327 3.163 10.227 1.00 0.00 C ATOM 568 C ALA A 43 11.283 2.338 10.949 1.00 0.00 C ATOM 569 O ALA A 43 11.465 1.975 12.114 1.00 0.00 O ATOM 570 CB ALA A 43 11.720 4.507 9.877 1.00 0.00 C ATOM 0 H ALA A 43 12.419 2.958 8.169 1.00 0.00 H new ATOM 0 HA ALA A 43 13.201 3.299 10.864 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.418 5.019 10.791 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.457 5.112 9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.848 4.358 9.240 1.00 0.00 H new ATOM 576 N LYS A 44 10.245 1.937 10.223 1.00 0.00 N ATOM 577 CA LYS A 44 9.108 1.300 10.867 1.00 0.00 C ATOM 578 C LYS A 44 9.290 -0.201 10.973 1.00 0.00 C ATOM 579 O LYS A 44 8.720 -0.805 11.847 1.00 0.00 O ATOM 580 CB LYS A 44 7.818 1.624 10.101 1.00 0.00 C ATOM 581 CG LYS A 44 7.633 3.115 9.822 1.00 0.00 C ATOM 582 CD LYS A 44 6.308 3.421 9.134 1.00 0.00 C ATOM 583 CE LYS A 44 5.128 3.295 10.079 1.00 0.00 C ATOM 584 NZ LYS A 44 3.884 3.710 9.419 1.00 0.00 N1+ ATOM 0 H LYS A 44 10.169 2.039 9.211 1.00 0.00 H new ATOM 0 HA LYS A 44 9.036 1.696 11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.821 1.083 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.964 1.261 10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.687 3.666 10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.453 3.469 9.197 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.338 4.431 8.726 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.172 2.741 8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.038 2.263 10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.298 3.909 10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.083 3.568 10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.946 4.716 9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.740 3.141 8.560 1.00 0.00 H new ATOM 598 N LYS A 45 10.152 -0.764 10.104 1.00 0.00 N ATOM 599 CA LYS A 45 10.497 -2.209 10.112 1.00 0.00 C ATOM 600 C LYS A 45 9.303 -3.139 10.293 1.00 0.00 C ATOM 601 O LYS A 45 9.171 -3.803 11.312 1.00 0.00 O ATOM 602 CB LYS A 45 11.617 -2.525 11.089 1.00 0.00 C ATOM 603 CG LYS A 45 12.924 -1.876 10.700 1.00 0.00 C ATOM 604 CD LYS A 45 14.003 -2.063 11.758 1.00 0.00 C ATOM 605 CE LYS A 45 13.659 -1.318 13.050 1.00 0.00 C ATOM 606 NZ LYS A 45 13.413 0.134 12.809 1.00 0.00 N1+ ATOM 0 H LYS A 45 10.631 -0.235 9.375 1.00 0.00 H new ATOM 0 HA LYS A 45 10.867 -2.414 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.331 -2.189 12.086 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.753 -3.605 11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.268 -2.297 9.755 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.762 -0.811 10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.125 -3.125 11.971 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.957 -1.704 11.373 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.774 -1.766 13.502 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.475 -1.434 13.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.864 0.692 13.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.814 0.406 11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.389 0.317 12.809 1.00 0.00 H new ATOM 620 N ILE A 46 8.408 -3.077 9.322 1.00 0.00 N ATOM 621 CA ILE A 46 7.194 -3.900 9.269 1.00 0.00 C ATOM 622 C ILE A 46 7.590 -5.379 9.399 1.00 0.00 C ATOM 623 O ILE A 46 6.967 -6.167 10.095 1.00 0.00 O ATOM 624 CB ILE A 46 6.423 -3.733 7.916 1.00 0.00 C ATOM 625 CG1 ILE A 46 6.469 -2.277 7.394 1.00 0.00 C ATOM 626 CG2 ILE A 46 4.966 -4.176 8.073 1.00 0.00 C ATOM 627 CD1 ILE A 46 7.710 -1.954 6.556 1.00 0.00 C ATOM 0 H ILE A 46 8.499 -2.443 8.528 1.00 0.00 H new ATOM 0 HA ILE A 46 6.545 -3.577 10.083 1.00 0.00 H new ATOM 0 HB ILE A 46 6.923 -4.367 7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.579 -2.089 6.794 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.430 -1.596 8.244 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.444 -4.054 7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.934 -5.224 8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.480 -3.566 8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.667 -0.915 6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.606 -2.108 7.158 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.741 -2.609 5.685 1.00 0.00 H new ATOM 639 N LEU A 47 8.639 -5.702 8.691 1.00 0.00 N ATOM 640 CA LEU A 47 9.302 -6.977 8.724 1.00 0.00 C ATOM 641 C LEU A 47 10.816 -6.720 8.833 1.00 0.00 C ATOM 642 O LEU A 47 11.221 -5.548 8.941 1.00 0.00 O ATOM 643 CB LEU A 47 8.900 -7.968 7.561 1.00 0.00 C ATOM 644 CG LEU A 47 8.535 -7.446 6.131 1.00 0.00 C ATOM 645 CD1 LEU A 47 7.069 -7.083 6.008 1.00 0.00 C ATOM 646 CD2 LEU A 47 9.387 -6.273 5.710 1.00 0.00 C ATOM 0 H LEU A 47 9.076 -5.048 8.042 1.00 0.00 H new ATOM 0 HA LEU A 47 8.960 -7.522 9.604 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.727 -8.668 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.045 -8.543 7.916 1.00 0.00 H new ATOM 0 HG LEU A 47 8.742 -8.278 5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.866 -6.726 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.458 -7.962 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.827 -6.299 6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.093 -5.950 4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.248 -5.452 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.436 -6.570 5.701 1.00 0.00 H new ATOM 658 N SER A 48 11.650 -7.741 8.776 1.00 0.00 N ATOM 659 CA SER A 48 13.056 -7.552 9.092 1.00 0.00 C ATOM 660 C SER A 48 13.873 -7.000 7.905 1.00 0.00 C ATOM 661 O SER A 48 13.335 -6.666 6.831 1.00 0.00 O ATOM 662 CB SER A 48 13.681 -8.863 9.609 1.00 0.00 C ATOM 663 OG SER A 48 13.854 -9.806 8.569 1.00 0.00 O ATOM 0 H SER A 48 11.387 -8.693 8.519 1.00 0.00 H new ATOM 0 HA SER A 48 13.095 -6.799 9.879 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.645 -8.649 10.070 1.00 0.00 H new ATOM 0 HB3 SER A 48 13.044 -9.289 10.384 1.00 0.00 H new ATOM 0 HG SER A 48 13.155 -9.680 7.893 1.00 0.00 H new ATOM 669 N ARG A 49 15.186 -6.919 8.114 1.00 0.00 N ATOM 670 CA ARG A 49 16.128 -6.424 7.131 1.00 0.00 C ATOM 671 C ARG A 49 16.210 -7.362 5.920 1.00 0.00 C ATOM 672 O ARG A 49 16.429 -6.916 4.804 1.00 0.00 O ATOM 673 CB ARG A 49 17.516 -6.294 7.762 1.00 0.00 C ATOM 674 CG ARG A 49 18.523 -5.792 6.865 1.00 0.00 C ATOM 675 CD ARG A 49 19.814 -5.706 7.589 1.00 0.00 C ATOM 676 NE ARG A 49 20.423 -7.045 7.901 1.00 0.00 N ATOM 677 CZ ARG A 49 20.508 -8.125 7.058 1.00 0.00 C ATOM 678 NH1 ARG A 49 20.264 -8.002 5.752 1.00 0.00 N1+ ATOM 679 NH2 ARG A 49 20.911 -9.306 7.529 1.00 0.00 N ATOM 0 H ARG A 49 15.626 -7.203 8.990 1.00 0.00 H new ATOM 0 HA ARG A 49 15.779 -5.448 6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.451 -5.632 8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 49 17.828 -7.270 8.132 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.619 -6.449 6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.236 -4.810 6.488 1.00 0.00 H new ATOM 0 HD2 ARG A 49 20.518 -5.127 6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.663 -5.160 8.520 1.00 0.00 H new ATOM 0 HE ARG A 49 20.813 -7.163 8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.009 -7.094 5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 49 20.332 -8.816 5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 49 21.155 -9.406 8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.975 -10.110 6.904 1.00 0.00 H new ATOM 693 N GLU A 50 16.024 -8.653 6.147 1.00 0.00 N ATOM 694 CA GLU A 50 16.132 -9.623 5.064 1.00 0.00 C ATOM 695 C GLU A 50 14.842 -9.665 4.265 1.00 0.00 C ATOM 696 O GLU A 50 14.833 -10.038 3.097 1.00 0.00 O ATOM 697 CB GLU A 50 16.497 -11.020 5.598 1.00 0.00 C ATOM 698 CG GLU A 50 17.836 -11.088 6.350 1.00 0.00 C ATOM 699 CD GLU A 50 19.074 -10.821 5.486 1.00 0.00 C ATOM 700 OE1 GLU A 50 19.002 -10.073 4.490 1.00 0.00 O ATOM 701 OE2 GLU A 50 20.172 -11.267 5.846 1.00 0.00 O1- ATOM 0 H GLU A 50 15.800 -9.052 7.059 1.00 0.00 H new ATOM 0 HA GLU A 50 16.938 -9.306 4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.704 -11.359 6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 50 16.530 -11.717 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 50 17.816 -10.364 7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 50 17.932 -12.075 6.803 1.00 0.00 H new ATOM 708 N ASP A 51 13.768 -9.225 4.889 1.00 0.00 N ATOM 709 CA ASP A 51 12.466 -9.205 4.245 1.00 0.00 C ATOM 710 C ASP A 51 12.336 -7.938 3.419 1.00 0.00 C ATOM 711 O ASP A 51 11.842 -7.961 2.304 1.00 0.00 O ATOM 712 CB ASP A 51 11.330 -9.255 5.261 1.00 0.00 C ATOM 713 CG ASP A 51 11.427 -10.385 6.255 1.00 0.00 C ATOM 714 OD1 ASP A 51 11.379 -11.537 5.861 1.00 0.00 O ATOM 715 OD2 ASP A 51 11.551 -10.084 7.474 1.00 0.00 O1- ATOM 0 H ASP A 51 13.770 -8.874 5.847 1.00 0.00 H new ATOM 0 HA ASP A 51 12.392 -10.089 3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.305 -8.311 5.805 1.00 0.00 H new ATOM 0 HB3 ASP A 51 10.384 -9.340 4.725 1.00 0.00 H new ATOM 720 N THR A 52 12.813 -6.816 3.968 1.00 0.00 N ATOM 721 CA THR A 52 12.812 -5.538 3.238 1.00 0.00 C ATOM 722 C THR A 52 13.815 -5.581 2.069 1.00 0.00 C ATOM 723 O THR A 52 13.728 -4.820 1.107 1.00 0.00 O ATOM 724 CB THR A 52 13.085 -4.322 4.179 1.00 0.00 C ATOM 725 OG1 THR A 52 14.105 -4.653 5.143 1.00 0.00 O ATOM 726 CG2 THR A 52 11.814 -3.866 4.910 1.00 0.00 C ATOM 0 H THR A 52 13.203 -6.764 4.909 1.00 0.00 H new ATOM 0 HA THR A 52 11.813 -5.396 2.827 1.00 0.00 H new ATOM 0 HB THR A 52 13.427 -3.499 3.552 1.00 0.00 H new ATOM 0 HG1 THR A 52 13.737 -5.269 5.811 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.049 -3.018 5.554 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.061 -3.570 4.180 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.429 -4.686 5.516 1.00 0.00 H new ATOM 734 N ARG A 53 14.718 -6.540 2.153 1.00 0.00 N ATOM 735 CA ARG A 53 15.734 -6.813 1.153 1.00 0.00 C ATOM 736 C ARG A 53 15.092 -7.286 -0.171 1.00 0.00 C ATOM 737 O ARG A 53 15.729 -7.220 -1.233 1.00 0.00 O ATOM 738 CB ARG A 53 16.655 -7.885 1.719 1.00 0.00 C ATOM 739 CG ARG A 53 17.785 -8.353 0.839 1.00 0.00 C ATOM 740 CD ARG A 53 18.522 -9.463 1.545 1.00 0.00 C ATOM 741 NE ARG A 53 19.625 -10.025 0.764 1.00 0.00 N ATOM 742 CZ ARG A 53 20.565 -10.835 1.285 1.00 0.00 C ATOM 743 NH1 ARG A 53 20.565 -11.108 2.598 1.00 0.00 N1+ ATOM 744 NH2 ARG A 53 21.510 -11.362 0.495 1.00 0.00 N ATOM 0 H ARG A 53 14.766 -7.175 2.950 1.00 0.00 H new ATOM 0 HA ARG A 53 16.297 -5.907 0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 53 17.083 -7.507 2.647 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.047 -8.752 1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 53 17.398 -8.705 -0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.463 -7.527 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.913 -9.085 2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 53 17.817 -10.259 1.787 1.00 0.00 H new ATOM 0 HE ARG A 53 19.684 -9.790 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 53 19.852 -10.702 3.203 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.278 -11.722 2.991 1.00 0.00 H new ATOM 0 HH21 ARG A 53 21.518 -11.149 -0.503 1.00 0.00 H new ATOM 0 HH22 ARG A 53 22.222 -11.976 0.891 1.00 0.00 H new ATOM 758 N GLU A 54 13.834 -7.755 -0.081 1.00 0.00 N ATOM 759 CA GLU A 54 13.025 -8.222 -1.224 1.00 0.00 C ATOM 760 C GLU A 54 13.141 -7.267 -2.417 1.00 0.00 C ATOM 761 O GLU A 54 13.658 -7.629 -3.482 1.00 0.00 O ATOM 762 CB GLU A 54 11.542 -8.317 -0.779 1.00 0.00 C ATOM 763 CG GLU A 54 10.514 -8.557 -1.892 1.00 0.00 C ATOM 764 CD GLU A 54 10.592 -9.917 -2.540 1.00 0.00 C ATOM 765 OE1 GLU A 54 11.610 -10.237 -3.152 1.00 0.00 O1- ATOM 766 OE2 GLU A 54 9.597 -10.659 -2.486 1.00 0.00 O ATOM 0 H GLU A 54 13.340 -7.822 0.809 1.00 0.00 H new ATOM 0 HA GLU A 54 13.394 -9.198 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.454 -9.124 -0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.279 -7.393 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.514 -8.423 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.646 -7.795 -2.660 1.00 0.00 H new ATOM 773 N ILE A 55 12.739 -6.031 -2.202 1.00 0.00 N ATOM 774 CA ILE A 55 12.693 -5.048 -3.264 1.00 0.00 C ATOM 775 C ILE A 55 14.066 -4.670 -3.795 1.00 0.00 C ATOM 776 O ILE A 55 14.212 -4.382 -4.980 1.00 0.00 O ATOM 777 CB ILE A 55 11.856 -3.807 -2.886 1.00 0.00 C ATOM 778 CG1 ILE A 55 12.257 -3.224 -1.517 1.00 0.00 C ATOM 779 CG2 ILE A 55 10.404 -4.132 -2.982 1.00 0.00 C ATOM 780 CD1 ILE A 55 11.590 -1.894 -1.196 1.00 0.00 C ATOM 0 H ILE A 55 12.437 -5.682 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 55 12.177 -5.538 -4.090 1.00 0.00 H new ATOM 0 HB ILE A 55 12.068 -3.012 -3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.005 -3.944 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.339 -3.093 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.816 -3.254 -2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.165 -4.432 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.168 -4.948 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.922 -1.548 -0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.862 -1.158 -1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.508 -2.022 -1.188 1.00 0.00 H new ATOM 792 N SER A 56 15.070 -4.760 -2.951 1.00 0.00 N ATOM 793 CA SER A 56 16.426 -4.431 -3.331 1.00 0.00 C ATOM 794 C SER A 56 17.027 -5.522 -4.244 1.00 0.00 C ATOM 795 O SER A 56 17.971 -5.275 -4.992 1.00 0.00 O ATOM 796 CB SER A 56 17.260 -4.268 -2.072 1.00 0.00 C ATOM 797 OG SER A 56 16.610 -3.389 -1.172 1.00 0.00 O ATOM 0 H SER A 56 14.970 -5.063 -1.982 1.00 0.00 H new ATOM 0 HA SER A 56 16.425 -3.499 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.413 -5.238 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.246 -3.878 -2.326 1.00 0.00 H new ATOM 0 HG SER A 56 17.114 -3.348 -0.333 1.00 0.00 H new ATOM 803 N CYS A 57 16.465 -6.715 -4.192 1.00 0.00 N ATOM 804 CA CYS A 57 16.949 -7.808 -5.019 1.00 0.00 C ATOM 805 C CYS A 57 16.211 -7.825 -6.360 1.00 0.00 C ATOM 806 O CYS A 57 16.668 -8.406 -7.330 1.00 0.00 O ATOM 807 CB CYS A 57 16.759 -9.138 -4.289 1.00 0.00 C ATOM 808 SG CYS A 57 17.517 -9.184 -2.647 1.00 0.00 S ATOM 0 H CYS A 57 15.677 -6.953 -3.590 1.00 0.00 H new ATOM 0 HA CYS A 57 18.012 -7.662 -5.212 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.692 -9.340 -4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 57 17.181 -9.939 -4.896 1.00 0.00 H new ATOM 0 HG CYS A 57 16.933 -8.316 -1.875 1.00 0.00 H new ATOM 814 N ARG A 58 15.056 -7.182 -6.392 1.00 0.00 N ATOM 815 CA ARG A 58 14.216 -7.139 -7.592 1.00 0.00 C ATOM 816 C ARG A 58 14.542 -5.918 -8.444 1.00 0.00 C ATOM 817 O ARG A 58 13.812 -5.608 -9.402 1.00 0.00 O ATOM 818 CB ARG A 58 12.729 -7.124 -7.217 1.00 0.00 C ATOM 819 CG ARG A 58 12.329 -8.191 -6.216 1.00 0.00 C ATOM 820 CD ARG A 58 12.701 -9.598 -6.664 1.00 0.00 C ATOM 821 NE ARG A 58 12.425 -10.550 -5.598 1.00 0.00 N ATOM 822 CZ ARG A 58 12.544 -11.868 -5.628 1.00 0.00 C ATOM 823 NH1 ARG A 58 12.976 -12.502 -6.729 1.00 0.00 N1+ ATOM 824 NH2 ARG A 58 12.236 -12.545 -4.530 1.00 0.00 N ATOM 0 H ARG A 58 14.670 -6.676 -5.595 1.00 0.00 H new ATOM 0 HA ARG A 58 14.426 -8.038 -8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.479 -6.145 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.136 -7.251 -8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.808 -7.982 -5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.253 -8.141 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.136 -9.865 -7.557 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.757 -9.636 -6.932 1.00 0.00 H new ATOM 0 HE ARG A 58 12.099 -10.152 -4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.220 -11.967 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.061 -13.518 -6.732 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.919 -12.049 -3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.316 -13.562 -4.518 1.00 0.00 H new ATOM 838 N THR A 59 15.605 -5.230 -8.069 1.00 0.00 N ATOM 839 CA THR A 59 16.024 -3.980 -8.662 1.00 0.00 C ATOM 840 C THR A 59 15.951 -3.914 -10.198 1.00 0.00 C ATOM 841 O THR A 59 16.692 -4.560 -10.927 1.00 0.00 O ATOM 842 CB THR A 59 17.408 -3.555 -8.156 1.00 0.00 C ATOM 843 OG1 THR A 59 17.330 -3.372 -6.740 1.00 0.00 O ATOM 844 CG2 THR A 59 17.822 -2.250 -8.801 1.00 0.00 C ATOM 0 H THR A 59 16.220 -5.540 -7.316 1.00 0.00 H new ATOM 0 HA THR A 59 15.278 -3.261 -8.322 1.00 0.00 H new ATOM 0 HB THR A 59 18.142 -4.321 -8.407 1.00 0.00 H new ATOM 0 HG1 THR A 59 17.825 -4.088 -6.290 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.806 -1.959 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.861 -2.375 -9.883 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.098 -1.475 -8.551 1.00 0.00 H new ATOM 852 N SER A 60 15.005 -3.127 -10.625 1.00 0.00 N ATOM 853 CA SER A 60 14.733 -2.800 -11.978 1.00 0.00 C ATOM 854 C SER A 60 13.901 -1.525 -11.914 1.00 0.00 C ATOM 855 O SER A 60 13.826 -0.914 -10.838 1.00 0.00 O ATOM 856 CB SER A 60 13.986 -3.951 -12.653 1.00 0.00 C ATOM 857 OG SER A 60 12.895 -4.353 -11.859 1.00 0.00 O ATOM 0 H SER A 60 14.361 -2.668 -9.981 1.00 0.00 H new ATOM 0 HA SER A 60 15.634 -2.643 -12.571 1.00 0.00 H new ATOM 0 HB2 SER A 60 13.634 -3.639 -13.636 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.662 -4.792 -12.808 1.00 0.00 H new ATOM 0 HG SER A 60 13.218 -4.899 -11.112 1.00 0.00 H new ATOM 863 N SER A 61 13.307 -1.110 -12.988 1.00 0.00 N ATOM 864 CA SER A 61 12.510 0.092 -12.978 1.00 0.00 C ATOM 865 C SER A 61 11.166 -0.099 -12.216 1.00 0.00 C ATOM 866 O SER A 61 10.919 0.552 -11.211 1.00 0.00 O ATOM 867 CB SER A 61 12.264 0.513 -14.420 1.00 0.00 C ATOM 868 OG SER A 61 13.487 0.479 -15.143 1.00 0.00 O ATOM 0 H SER A 61 13.355 -1.583 -13.890 1.00 0.00 H new ATOM 0 HA SER A 61 13.052 0.872 -12.444 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.537 -0.153 -14.885 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.841 1.517 -14.449 1.00 0.00 H new ATOM 0 HG SER A 61 13.326 0.749 -16.071 1.00 0.00 H new ATOM 874 N ARG A 62 10.352 -1.046 -12.663 1.00 0.00 N ATOM 875 CA ARG A 62 8.980 -1.179 -12.149 1.00 0.00 C ATOM 876 C ARG A 62 8.900 -2.123 -10.923 1.00 0.00 C ATOM 877 O ARG A 62 7.962 -2.040 -10.136 1.00 0.00 O ATOM 878 CB ARG A 62 8.071 -1.689 -13.300 1.00 0.00 C ATOM 879 CG ARG A 62 6.613 -1.162 -13.333 1.00 0.00 C ATOM 880 CD ARG A 62 5.732 -1.638 -12.178 1.00 0.00 C ATOM 881 NE ARG A 62 4.348 -1.133 -12.317 1.00 0.00 N ATOM 882 CZ ARG A 62 3.349 -1.299 -11.418 1.00 0.00 C ATOM 883 NH1 ARG A 62 3.553 -1.997 -10.294 1.00 0.00 N1+ ATOM 884 NH2 ARG A 62 2.150 -0.750 -11.649 1.00 0.00 N ATOM 0 H ARG A 62 10.607 -1.732 -13.374 1.00 0.00 H new ATOM 0 HA ARG A 62 8.639 -0.203 -11.804 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.546 -1.430 -14.246 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.037 -2.777 -13.247 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.635 -0.072 -13.329 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.152 -1.468 -14.272 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.723 -2.728 -12.149 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.153 -1.297 -11.232 1.00 0.00 H new ATOM 0 HE ARG A 62 4.127 -0.613 -13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.467 -2.409 -10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.794 -2.116 -9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.992 -0.209 -12.499 1.00 0.00 H new ATOM 0 HH22 ARG A 62 1.395 -0.872 -10.975 1.00 0.00 H new ATOM 898 N LYS A 63 9.880 -3.004 -10.752 1.00 0.00 N ATOM 899 CA LYS A 63 9.800 -3.992 -9.667 1.00 0.00 C ATOM 900 C LYS A 63 9.961 -3.406 -8.288 1.00 0.00 C ATOM 901 O LYS A 63 9.050 -3.477 -7.489 1.00 0.00 O ATOM 902 CB LYS A 63 10.793 -5.129 -9.833 1.00 0.00 C ATOM 903 CG LYS A 63 10.441 -6.167 -10.886 1.00 0.00 C ATOM 904 CD LYS A 63 9.158 -6.888 -10.518 1.00 0.00 C ATOM 905 CE LYS A 63 8.947 -8.144 -11.373 1.00 0.00 C ATOM 906 NZ LYS A 63 8.888 -7.844 -12.833 1.00 0.00 N1+ ATOM 0 H LYS A 63 10.719 -3.060 -11.329 1.00 0.00 H new ATOM 0 HA LYS A 63 8.785 -4.381 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.766 -4.704 -10.080 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.901 -5.635 -8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.327 -5.684 -11.857 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.254 -6.886 -10.981 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.186 -7.166 -9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.312 -6.213 -10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.757 -8.848 -11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.022 -8.634 -11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.677 -8.716 -13.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.142 -7.142 -13.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.804 -7.464 -13.147 1.00 0.00 H new ATOM 920 N ARG A 64 11.095 -2.795 -8.037 1.00 0.00 N ATOM 921 CA ARG A 64 11.444 -2.328 -6.690 1.00 0.00 C ATOM 922 C ARG A 64 10.488 -1.278 -6.109 1.00 0.00 C ATOM 923 O ARG A 64 10.451 -1.076 -4.902 1.00 0.00 O ATOM 924 CB ARG A 64 12.904 -1.872 -6.601 1.00 0.00 C ATOM 925 CG ARG A 64 13.331 -0.933 -7.710 1.00 0.00 C ATOM 926 CD ARG A 64 14.742 -0.449 -7.520 1.00 0.00 C ATOM 927 NE ARG A 64 15.241 0.249 -8.720 1.00 0.00 N ATOM 928 CZ ARG A 64 16.400 0.925 -8.784 1.00 0.00 C ATOM 929 NH1 ARG A 64 17.087 1.175 -7.677 1.00 0.00 N1+ ATOM 930 NH2 ARG A 64 16.834 1.398 -9.959 1.00 0.00 N ATOM 0 H ARG A 64 11.804 -2.603 -8.744 1.00 0.00 H new ATOM 0 HA ARG A 64 11.322 -3.205 -6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.061 -1.378 -5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.549 -2.751 -6.616 1.00 0.00 H new ATOM 0 HG2 ARG A 64 13.248 -1.443 -8.670 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.655 -0.079 -7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.785 0.223 -6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.391 -1.295 -7.294 1.00 0.00 H new ATOM 0 HE ARG A 64 14.665 0.216 -9.561 1.00 0.00 H new ATOM 0 HH11 ARG A 64 16.735 0.854 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.967 1.688 -7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.285 1.245 -10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.714 1.911 -10.008 1.00 0.00 H new ATOM 944 N ALA A 65 9.727 -0.623 -6.950 1.00 0.00 N ATOM 945 CA ALA A 65 8.787 0.352 -6.465 1.00 0.00 C ATOM 946 C ALA A 65 7.473 -0.332 -6.052 1.00 0.00 C ATOM 947 O ALA A 65 6.982 -0.131 -4.947 1.00 0.00 O ATOM 948 CB ALA A 65 8.519 1.414 -7.521 1.00 0.00 C ATOM 0 H ALA A 65 9.740 -0.746 -7.962 1.00 0.00 H new ATOM 0 HA ALA A 65 9.219 0.839 -5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.806 2.141 -7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.451 1.919 -7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.108 0.943 -8.414 1.00 0.00 H new ATOM 954 N GLY A 66 6.955 -1.186 -6.928 1.00 0.00 N ATOM 955 CA GLY A 66 5.654 -1.794 -6.702 1.00 0.00 C ATOM 956 C GLY A 66 5.691 -3.072 -5.893 1.00 0.00 C ATOM 957 O GLY A 66 4.718 -3.405 -5.217 1.00 0.00 O ATOM 0 H GLY A 66 7.414 -1.470 -7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.014 -1.074 -6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.192 -2.003 -7.667 1.00 0.00 H new ATOM 961 N LYS A 67 6.820 -3.778 -5.923 1.00 0.00 N ATOM 962 CA LYS A 67 6.950 -5.059 -5.210 1.00 0.00 C ATOM 963 C LYS A 67 6.956 -4.796 -3.698 1.00 0.00 C ATOM 964 O LYS A 67 6.767 -5.698 -2.897 1.00 0.00 O ATOM 965 CB LYS A 67 8.235 -5.811 -5.660 1.00 0.00 C ATOM 966 CG LYS A 67 8.091 -7.338 -5.853 1.00 0.00 C ATOM 967 CD LYS A 67 7.796 -8.089 -4.561 1.00 0.00 C ATOM 968 CE LYS A 67 7.575 -9.578 -4.814 1.00 0.00 C ATOM 969 NZ LYS A 67 7.229 -10.304 -3.572 1.00 0.00 N1+ ATOM 0 H LYS A 67 7.658 -3.491 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 67 6.101 -5.698 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.577 -5.376 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.016 -5.630 -4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.291 -7.532 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.010 -7.729 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.625 -7.957 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.911 -7.665 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.776 -9.707 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.477 -10.010 -5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.154 -11.321 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.970 -10.146 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.319 -9.955 -3.208 1.00 0.00 H new ATOM 983 N LEU A 68 7.159 -3.535 -3.325 1.00 0.00 N ATOM 984 CA LEU A 68 7.093 -3.133 -1.937 1.00 0.00 C ATOM 985 C LEU A 68 5.704 -3.345 -1.420 1.00 0.00 C ATOM 986 O LEU A 68 5.486 -3.996 -0.411 1.00 0.00 O ATOM 987 CB LEU A 68 7.420 -1.659 -1.761 1.00 0.00 C ATOM 988 CG LEU A 68 7.143 -1.133 -0.344 1.00 0.00 C ATOM 989 CD1 LEU A 68 8.186 -1.553 0.627 1.00 0.00 C ATOM 990 CD2 LEU A 68 6.889 0.361 -0.279 1.00 0.00 C ATOM 0 H LEU A 68 7.371 -2.777 -3.973 1.00 0.00 H new ATOM 0 HA LEU A 68 7.821 -3.734 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.471 -1.497 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.837 -1.078 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 68 6.206 -1.605 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.945 -1.157 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.224 -2.641 0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.155 -1.170 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.702 0.654 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.762 0.895 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.021 0.609 -0.889 1.00 0.00 H new ATOM 1002 N LEU A 69 4.766 -2.854 -2.178 1.00 0.00 N ATOM 1003 CA LEU A 69 3.384 -2.832 -1.780 1.00 0.00 C ATOM 1004 C LEU A 69 2.842 -4.255 -1.806 1.00 0.00 C ATOM 1005 O LEU A 69 1.816 -4.559 -1.232 1.00 0.00 O ATOM 1006 CB LEU A 69 2.603 -1.903 -2.723 1.00 0.00 C ATOM 1007 CG LEU A 69 3.329 -0.570 -3.107 1.00 0.00 C ATOM 1008 CD1 LEU A 69 2.435 0.318 -3.941 1.00 0.00 C ATOM 1009 CD2 LEU A 69 3.786 0.179 -1.866 1.00 0.00 C ATOM 0 H LEU A 69 4.939 -2.453 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 69 3.276 -2.446 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.376 -2.450 -3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.650 -1.656 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 69 4.205 -0.836 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.966 1.236 -4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.157 -0.203 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.536 0.562 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.287 1.101 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.922 0.418 -1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.477 -0.444 -1.299 1.00 0.00 H new ATOM 1021 N ASP A 70 3.591 -5.106 -2.472 1.00 0.00 N ATOM 1022 CA ASP A 70 3.331 -6.517 -2.559 1.00 0.00 C ATOM 1023 C ASP A 70 3.706 -7.217 -1.247 1.00 0.00 C ATOM 1024 O ASP A 70 2.862 -7.866 -0.637 1.00 0.00 O ATOM 1025 CB ASP A 70 4.124 -7.104 -3.723 1.00 0.00 C ATOM 1026 CG ASP A 70 4.036 -8.605 -3.826 1.00 0.00 C ATOM 1027 OD1 ASP A 70 4.859 -9.300 -3.202 1.00 0.00 O ATOM 1028 OD2 ASP A 70 3.173 -9.092 -4.557 1.00 0.00 O1- ATOM 0 H ASP A 70 4.426 -4.820 -2.984 1.00 0.00 H new ATOM 0 HA ASP A 70 2.266 -6.675 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.765 -6.664 -4.653 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.170 -6.817 -3.618 1.00 0.00 H new ATOM 1033 N TYR A 71 4.959 -7.024 -0.765 1.00 0.00 N ATOM 1034 CA TYR A 71 5.396 -7.730 0.462 1.00 0.00 C ATOM 1035 C TYR A 71 4.713 -7.229 1.726 1.00 0.00 C ATOM 1036 O TYR A 71 4.699 -7.888 2.751 1.00 0.00 O ATOM 1037 CB TYR A 71 6.948 -7.910 0.627 1.00 0.00 C ATOM 1038 CG TYR A 71 7.901 -6.698 0.823 1.00 0.00 C ATOM 1039 CD1 TYR A 71 8.337 -5.873 -0.234 1.00 0.00 C ATOM 1040 CD2 TYR A 71 8.446 -6.457 2.073 1.00 0.00 C ATOM 1041 CE1 TYR A 71 9.277 -4.853 -0.012 1.00 0.00 C ATOM 1042 CE2 TYR A 71 9.377 -5.459 2.276 1.00 0.00 C ATOM 1043 CZ TYR A 71 9.787 -4.673 1.246 1.00 0.00 C ATOM 1044 OH TYR A 71 10.715 -3.689 1.482 1.00 0.00 O ATOM 0 H TYR A 71 5.658 -6.412 -1.187 1.00 0.00 H new ATOM 0 HA TYR A 71 5.037 -8.747 0.304 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.099 -8.570 1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.298 -8.446 -0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 71 7.943 -6.027 -1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.135 -7.065 2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.594 -4.217 -0.825 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.784 -5.301 3.264 1.00 0.00 H new ATOM 0 HH TYR A 71 10.364 -3.061 2.147 1.00 0.00 H new ATOM 1054 N LEU A 72 4.150 -6.073 1.630 1.00 0.00 N ATOM 1055 CA LEU A 72 3.391 -5.488 2.705 1.00 0.00 C ATOM 1056 C LEU A 72 1.906 -5.865 2.627 1.00 0.00 C ATOM 1057 O LEU A 72 1.156 -5.639 3.562 1.00 0.00 O ATOM 1058 CB LEU A 72 3.592 -3.982 2.738 1.00 0.00 C ATOM 1059 CG LEU A 72 4.918 -3.487 3.359 1.00 0.00 C ATOM 1060 CD1 LEU A 72 5.089 -4.051 4.713 1.00 0.00 C ATOM 1061 CD2 LEU A 72 6.127 -3.799 2.520 1.00 0.00 C ATOM 0 H LEU A 72 4.199 -5.491 0.794 1.00 0.00 H new ATOM 0 HA LEU A 72 3.764 -5.898 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.529 -3.605 1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.766 -3.538 3.293 1.00 0.00 H new ATOM 0 HG LEU A 72 4.844 -2.401 3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.027 -3.695 5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.259 -3.736 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.107 -5.139 4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.021 -3.423 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.211 -4.878 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.026 -3.323 1.545 1.00 0.00 H new ATOM 1073 N GLN A 73 1.486 -6.404 1.491 1.00 0.00 N ATOM 1074 CA GLN A 73 0.099 -6.822 1.297 1.00 0.00 C ATOM 1075 C GLN A 73 -0.115 -8.257 1.791 1.00 0.00 C ATOM 1076 O GLN A 73 -1.252 -8.711 1.965 1.00 0.00 O ATOM 1077 CB GLN A 73 -0.280 -6.687 -0.164 1.00 0.00 C ATOM 1078 CG GLN A 73 -1.727 -7.031 -0.489 1.00 0.00 C ATOM 1079 CD GLN A 73 -2.779 -6.260 0.196 1.00 0.00 C ATOM 1080 OE1 GLN A 73 -2.675 -5.812 1.335 1.00 0.00 O ATOM 1081 NE2 GLN A 73 -3.806 -6.060 -0.539 1.00 0.00 N ATOM 0 H GLN A 73 2.088 -6.564 0.683 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.548 -6.172 1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -0.086 -5.662 -0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.372 -7.331 -0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.868 -6.912 -1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.881 -8.086 -0.262 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.845 -6.454 -1.479 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -4.586 -5.507 -0.185 1.00 0.00 H new ATOM 1090 N GLU A 74 0.994 -8.969 2.019 1.00 0.00 N ATOM 1091 CA GLU A 74 0.951 -10.324 2.595 1.00 0.00 C ATOM 1092 C GLU A 74 0.297 -10.232 3.970 1.00 0.00 C ATOM 1093 O GLU A 74 -0.559 -11.035 4.356 1.00 0.00 O ATOM 1094 CB GLU A 74 2.376 -10.816 2.789 1.00 0.00 C ATOM 1095 CG GLU A 74 2.472 -12.137 3.519 1.00 0.00 C ATOM 1096 CD GLU A 74 3.748 -12.238 4.294 1.00 0.00 C ATOM 1097 OE1 GLU A 74 3.828 -11.584 5.371 1.00 0.00 O ATOM 1098 OE2 GLU A 74 4.658 -12.951 3.855 1.00 0.00 O1- ATOM 0 H GLU A 74 1.935 -8.632 1.814 1.00 0.00 H new ATOM 0 HA GLU A 74 0.399 -10.998 1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.852 -10.915 1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.938 -10.064 3.343 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.624 -12.244 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.413 -12.956 2.802 1.00 0.00 H new ATOM 1105 N ASN A 75 0.686 -9.204 4.653 1.00 0.00 N ATOM 1106 CA ASN A 75 0.181 -8.845 5.930 1.00 0.00 C ATOM 1107 C ASN A 75 -0.474 -7.473 5.790 1.00 0.00 C ATOM 1108 O ASN A 75 0.128 -6.485 6.070 1.00 0.00 O ATOM 1109 CB ASN A 75 1.303 -8.893 7.023 1.00 0.00 C ATOM 1110 CG ASN A 75 2.618 -8.179 6.632 1.00 0.00 C ATOM 1111 OD1 ASN A 75 2.790 -6.979 6.868 1.00 0.00 O ATOM 1112 ND2 ASN A 75 3.561 -8.920 6.068 1.00 0.00 N ATOM 0 H ASN A 75 1.402 -8.562 4.313 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.567 -9.561 6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.919 -8.442 7.938 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.525 -9.936 7.250 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.457 -8.501 5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.391 -9.909 5.885 1.00 0.00 H new ATOM 1119 N PRO A 76 -1.751 -7.443 5.295 1.00 0.00 N ATOM 1120 CA PRO A 76 -2.497 -6.218 4.843 1.00 0.00 C ATOM 1121 C PRO A 76 -2.260 -4.899 5.615 1.00 0.00 C ATOM 1122 O PRO A 76 -2.298 -3.808 5.023 1.00 0.00 O ATOM 1123 CB PRO A 76 -3.945 -6.656 4.964 1.00 0.00 C ATOM 1124 CG PRO A 76 -3.909 -8.094 4.594 1.00 0.00 C ATOM 1125 CD PRO A 76 -2.616 -8.641 5.149 1.00 0.00 C ATOM 0 HA PRO A 76 -2.152 -5.935 3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.324 -6.512 5.976 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.593 -6.087 4.297 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.766 -8.624 5.010 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.951 -8.218 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.772 -9.140 6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.172 -9.374 4.476 1.00 0.00 H new ATOM 1133 N LYS A 77 -2.008 -4.974 6.912 1.00 0.00 N ATOM 1134 CA LYS A 77 -1.786 -3.764 7.676 1.00 0.00 C ATOM 1135 C LYS A 77 -0.397 -3.174 7.351 1.00 0.00 C ATOM 1136 O LYS A 77 -0.130 -2.006 7.613 1.00 0.00 O ATOM 1137 CB LYS A 77 -2.034 -3.990 9.201 1.00 0.00 C ATOM 1138 CG LYS A 77 -2.017 -2.710 10.071 1.00 0.00 C ATOM 1139 CD LYS A 77 -0.622 -2.364 10.594 1.00 0.00 C ATOM 1140 CE LYS A 77 -0.568 -0.963 11.208 1.00 0.00 C ATOM 1141 NZ LYS A 77 -0.649 0.115 10.177 1.00 0.00 N1+ ATOM 0 H LYS A 77 -1.953 -5.841 7.446 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.521 -3.016 7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.999 -4.482 9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.275 -4.676 9.578 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.398 -1.873 9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.694 -2.842 10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.323 -3.099 11.342 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.097 -2.429 9.778 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.389 -0.848 11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.357 -0.853 11.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.574 1.044 10.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.129 0.003 9.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.558 0.049 9.677 1.00 0.00 H new ATOM 1155 N GLY A 78 0.454 -3.972 6.748 1.00 0.00 N ATOM 1156 CA GLY A 78 1.751 -3.528 6.321 1.00 0.00 C ATOM 1157 C GLY A 78 1.634 -2.537 5.185 1.00 0.00 C ATOM 1158 O GLY A 78 2.300 -1.505 5.184 1.00 0.00 O ATOM 0 H GLY A 78 0.260 -4.952 6.541 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.276 -3.068 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.346 -4.384 6.003 1.00 0.00 H new ATOM 1162 N LEU A 79 0.761 -2.831 4.234 1.00 0.00 N ATOM 1163 CA LEU A 79 0.513 -1.929 3.118 1.00 0.00 C ATOM 1164 C LEU A 79 -0.197 -0.665 3.631 1.00 0.00 C ATOM 1165 O LEU A 79 0.043 0.447 3.144 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.244 -2.661 1.974 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.586 -1.852 0.699 1.00 0.00 C ATOM 1168 CD1 LEU A 79 0.618 -1.099 0.185 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.062 -2.780 -0.402 1.00 0.00 C ATOM 0 H LEU A 79 0.211 -3.689 4.212 1.00 0.00 H new ATOM 0 HA LEU A 79 1.455 -1.604 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.354 -3.521 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.176 -3.049 2.384 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.370 -1.144 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.343 -0.542 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.968 -0.406 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.413 -1.805 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.299 -2.197 -1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.277 -3.499 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.953 -3.312 -0.069 1.00 0.00 H new ATOM 1181 N ASP A 80 -1.010 -0.841 4.674 1.00 0.00 N ATOM 1182 CA ASP A 80 -1.631 0.291 5.402 1.00 0.00 C ATOM 1183 C ASP A 80 -0.547 1.160 6.067 1.00 0.00 C ATOM 1184 O ASP A 80 -0.666 2.380 6.176 1.00 0.00 O ATOM 1185 CB ASP A 80 -2.607 -0.227 6.467 1.00 0.00 C ATOM 1186 CG ASP A 80 -3.049 0.843 7.450 1.00 0.00 C ATOM 1187 OD1 ASP A 80 -3.856 1.735 7.073 1.00 0.00 O ATOM 1188 OD2 ASP A 80 -2.635 0.778 8.619 1.00 0.00 O1- ATOM 0 H ASP A 80 -1.261 -1.758 5.043 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.182 0.899 4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.486 -0.642 5.973 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.135 -1.042 7.016 1.00 0.00 H new ATOM 1193 N THR A 81 0.507 0.506 6.469 1.00 0.00 N ATOM 1194 CA THR A 81 1.659 1.121 7.087 1.00 0.00 C ATOM 1195 C THR A 81 2.462 1.940 6.052 1.00 0.00 C ATOM 1196 O THR A 81 3.113 2.939 6.405 1.00 0.00 O ATOM 1197 CB THR A 81 2.521 0.010 7.752 1.00 0.00 C ATOM 1198 OG1 THR A 81 1.745 -0.611 8.787 1.00 0.00 O ATOM 1199 CG2 THR A 81 3.832 0.514 8.338 1.00 0.00 C ATOM 0 H THR A 81 0.595 -0.506 6.374 1.00 0.00 H new ATOM 0 HA THR A 81 1.341 1.823 7.858 1.00 0.00 H new ATOM 0 HB THR A 81 2.791 -0.698 6.968 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.058 -1.181 8.383 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.376 -0.319 8.783 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.436 0.961 7.548 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.625 1.262 9.103 1.00 0.00 H new ATOM 1207 N LEU A 82 2.397 1.513 4.794 1.00 0.00 N ATOM 1208 CA LEU A 82 3.087 2.183 3.699 1.00 0.00 C ATOM 1209 C LEU A 82 2.321 3.409 3.244 1.00 0.00 C ATOM 1210 O LEU A 82 2.879 4.509 3.184 1.00 0.00 O ATOM 1211 CB LEU A 82 3.252 1.255 2.511 1.00 0.00 C ATOM 1212 CG LEU A 82 4.014 -0.034 2.743 1.00 0.00 C ATOM 1213 CD1 LEU A 82 4.100 -0.791 1.454 1.00 0.00 C ATOM 1214 CD2 LEU A 82 5.401 0.238 3.326 1.00 0.00 C ATOM 0 H LEU A 82 1.864 0.692 4.506 1.00 0.00 H new ATOM 0 HA LEU A 82 4.067 2.479 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.259 0.999 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.755 1.807 1.717 1.00 0.00 H new ATOM 0 HG LEU A 82 3.480 -0.639 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.647 -1.720 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.095 -1.018 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.620 -0.186 0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.922 -0.707 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.971 0.858 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.300 0.757 4.279 1.00 0.00 H new ATOM 1226 N VAL A 83 1.024 3.225 2.950 1.00 0.00 N ATOM 1227 CA VAL A 83 0.146 4.319 2.476 1.00 0.00 C ATOM 1228 C VAL A 83 0.091 5.468 3.493 1.00 0.00 C ATOM 1229 O VAL A 83 -0.194 6.620 3.158 1.00 0.00 O ATOM 1230 CB VAL A 83 -1.303 3.813 2.134 1.00 0.00 C ATOM 1231 CG1 VAL A 83 -1.917 3.086 3.300 1.00 0.00 C ATOM 1232 CG2 VAL A 83 -2.202 4.964 1.743 1.00 0.00 C ATOM 0 H VAL A 83 0.553 2.324 3.031 1.00 0.00 H new ATOM 0 HA VAL A 83 0.586 4.696 1.553 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.210 3.125 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.918 2.749 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.301 2.225 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.977 3.757 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.198 4.586 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.266 5.673 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.791 5.465 0.866 1.00 0.00 H new ATOM 1242 N GLU A 84 0.420 5.153 4.713 1.00 0.00 N ATOM 1243 CA GLU A 84 0.455 6.107 5.783 1.00 0.00 C ATOM 1244 C GLU A 84 1.471 7.253 5.471 1.00 0.00 C ATOM 1245 O GLU A 84 1.342 8.377 5.988 1.00 0.00 O ATOM 1246 CB GLU A 84 0.859 5.404 7.058 1.00 0.00 C ATOM 1247 CG GLU A 84 0.848 6.266 8.297 1.00 0.00 C ATOM 1248 CD GLU A 84 1.821 5.742 9.295 1.00 0.00 C ATOM 1249 OE1 GLU A 84 1.507 4.770 10.001 1.00 0.00 O ATOM 1250 OE2 GLU A 84 2.992 6.230 9.308 1.00 0.00 O1- ATOM 0 H GLU A 84 0.676 4.207 4.997 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.535 6.548 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.189 4.559 7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.861 4.996 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.101 7.294 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.153 6.283 8.728 1.00 0.00 H new ATOM 1257 N SER A 85 2.467 6.971 4.632 1.00 0.00 N ATOM 1258 CA SER A 85 3.434 7.986 4.258 1.00 0.00 C ATOM 1259 C SER A 85 2.817 8.971 3.254 1.00 0.00 C ATOM 1260 O SER A 85 3.209 10.130 3.186 1.00 0.00 O ATOM 1261 CB SER A 85 4.740 7.356 3.724 1.00 0.00 C ATOM 1262 OG SER A 85 4.521 6.537 2.582 1.00 0.00 O ATOM 0 H SER A 85 2.620 6.057 4.206 1.00 0.00 H new ATOM 0 HA SER A 85 3.703 8.548 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.444 8.148 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 85 5.201 6.760 4.512 1.00 0.00 H new ATOM 0 HG SER A 85 4.127 5.684 2.862 1.00 0.00 H new ATOM 1268 N ILE A 86 1.847 8.494 2.494 1.00 0.00 N ATOM 1269 CA ILE A 86 1.107 9.316 1.544 1.00 0.00 C ATOM 1270 C ILE A 86 0.016 10.087 2.312 1.00 0.00 C ATOM 1271 O ILE A 86 -0.292 11.223 2.010 1.00 0.00 O ATOM 1272 CB ILE A 86 0.471 8.440 0.432 1.00 0.00 C ATOM 1273 CG1 ILE A 86 1.534 7.507 -0.164 1.00 0.00 C ATOM 1274 CG2 ILE A 86 -0.111 9.324 -0.671 1.00 0.00 C ATOM 1275 CD1 ILE A 86 0.993 6.533 -1.182 1.00 0.00 C ATOM 0 H ILE A 86 1.546 7.520 2.516 1.00 0.00 H new ATOM 0 HA ILE A 86 1.788 10.017 1.060 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.331 7.845 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.312 8.111 -0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.006 6.948 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.554 8.697 -1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.877 9.975 -0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.682 9.932 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.805 5.909 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.236 5.902 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.547 7.083 -2.010 1.00 0.00 H new ATOM 1287 N ARG A 87 -0.497 9.430 3.377 1.00 0.00 N ATOM 1288 CA ARG A 87 -1.535 9.949 4.343 1.00 0.00 C ATOM 1289 C ARG A 87 -0.995 11.218 5.103 1.00 0.00 C ATOM 1290 O ARG A 87 -1.682 11.859 5.861 1.00 0.00 O ATOM 1291 CB ARG A 87 -1.832 8.813 5.338 1.00 0.00 C ATOM 1292 CG ARG A 87 -2.950 9.051 6.339 1.00 0.00 C ATOM 1293 CD ARG A 87 -3.077 7.857 7.288 1.00 0.00 C ATOM 1294 NE ARG A 87 -3.342 6.590 6.562 1.00 0.00 N ATOM 1295 CZ ARG A 87 -3.158 5.341 7.062 1.00 0.00 C ATOM 1296 NH1 ARG A 87 -2.651 5.167 8.283 1.00 0.00 N1+ ATOM 1297 NH2 ARG A 87 -3.465 4.276 6.318 1.00 0.00 N ATOM 0 H ARG A 87 -0.197 8.483 3.611 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.440 10.247 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.073 7.916 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -0.918 8.601 5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.749 9.958 6.910 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.891 9.207 5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.159 7.757 7.868 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.883 8.043 7.997 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.692 6.664 5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.398 5.976 8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.517 4.225 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.837 4.402 5.376 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.328 3.337 6.691 1.00 0.00 H new ATOM 1311 N ARG A 88 0.266 11.504 4.843 1.00 0.00 N ATOM 1312 CA ARG A 88 1.082 12.684 5.260 1.00 0.00 C ATOM 1313 C ARG A 88 0.625 13.930 4.462 1.00 0.00 C ATOM 1314 O ARG A 88 1.202 15.009 4.539 1.00 0.00 O ATOM 1315 CB ARG A 88 2.564 12.409 5.062 1.00 0.00 C ATOM 1316 CG ARG A 88 3.443 12.971 6.167 1.00 0.00 C ATOM 1317 CD ARG A 88 4.361 11.881 6.715 1.00 0.00 C ATOM 1318 NE ARG A 88 3.588 10.677 7.109 1.00 0.00 N ATOM 1319 CZ ARG A 88 3.980 9.713 7.963 1.00 0.00 C ATOM 1320 NH1 ARG A 88 5.127 9.821 8.640 1.00 0.00 N1+ ATOM 1321 NH2 ARG A 88 3.203 8.651 8.134 1.00 0.00 N ATOM 0 H ARG A 88 0.824 10.865 4.277 1.00 0.00 H new ATOM 0 HA ARG A 88 0.929 12.875 6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.719 11.332 4.999 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.879 12.833 4.108 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.039 13.799 5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.822 13.370 6.969 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.100 11.611 5.961 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.909 12.263 7.576 1.00 0.00 H new ATOM 0 HE ARG A 88 2.665 10.569 6.690 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.719 10.642 8.513 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.411 9.082 9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.324 8.574 7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.485 7.911 8.777 1.00 0.00 H new ATOM 1335 N GLU A 89 -0.388 13.667 3.689 1.00 0.00 N ATOM 1336 CA GLU A 89 -0.991 14.313 2.540 1.00 0.00 C ATOM 1337 C GLU A 89 -0.938 15.809 2.358 1.00 0.00 C ATOM 1338 O GLU A 89 -1.294 16.252 1.294 1.00 0.00 O ATOM 1339 CB GLU A 89 -2.450 13.883 2.498 1.00 0.00 C ATOM 1340 CG GLU A 89 -3.301 14.143 3.773 1.00 0.00 C ATOM 1341 CD GLU A 89 -3.415 15.610 4.168 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -4.129 16.396 3.479 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -2.759 16.032 5.150 1.00 0.00 O1- ATOM 0 H GLU A 89 -0.920 12.820 3.892 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.349 13.979 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.929 14.392 1.662 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.482 12.815 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.303 13.744 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.866 13.589 4.604 1.00 0.00 H new ATOM 1350 N LYS A 90 -0.604 16.586 3.322 1.00 0.00 N ATOM 1351 CA LYS A 90 -0.602 18.026 3.122 1.00 0.00 C ATOM 1352 C LYS A 90 0.289 18.454 1.890 1.00 0.00 C ATOM 1353 O LYS A 90 0.141 19.540 1.355 1.00 0.00 O ATOM 1354 CB LYS A 90 -0.234 18.746 4.420 1.00 0.00 C ATOM 1355 CG LYS A 90 -0.548 20.238 4.423 1.00 0.00 C ATOM 1356 CD LYS A 90 -2.040 20.567 4.105 1.00 0.00 C ATOM 1357 CE LYS A 90 -3.071 20.007 5.124 1.00 0.00 C ATOM 1358 NZ LYS A 90 -3.358 18.543 4.990 1.00 0.00 N1+ ATOM 0 H LYS A 90 -0.329 16.275 4.254 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.613 18.339 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.765 18.274 5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.831 18.611 4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.294 20.651 5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.088 20.735 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.154 21.650 4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.280 20.175 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.705 20.200 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.005 20.557 5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.273 18.327 5.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.393 18.287 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.608 17.998 5.460 1.00 0.00 H new ATOM 1372 N THR A 91 1.185 17.561 1.462 1.00 0.00 N ATOM 1373 CA THR A 91 1.965 17.744 0.247 1.00 0.00 C ATOM 1374 C THR A 91 1.528 16.707 -0.887 1.00 0.00 C ATOM 1375 O THR A 91 1.969 16.795 -2.022 1.00 0.00 O ATOM 1376 CB THR A 91 3.459 17.551 0.591 1.00 0.00 C ATOM 1377 OG1 THR A 91 3.734 18.255 1.813 1.00 0.00 O ATOM 1378 CG2 THR A 91 4.362 18.114 -0.504 1.00 0.00 C ATOM 0 H THR A 91 1.386 16.690 1.953 1.00 0.00 H new ATOM 0 HA THR A 91 1.789 18.747 -0.141 1.00 0.00 H new ATOM 0 HB THR A 91 3.659 16.484 0.688 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.678 18.143 2.050 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.406 17.961 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.156 17.603 -1.444 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.170 19.181 -0.621 1.00 0.00 H new ATOM 1386 N GLN A 92 0.616 15.767 -0.561 1.00 0.00 N ATOM 1387 CA GLN A 92 0.266 14.628 -1.480 1.00 0.00 C ATOM 1388 C GLN A 92 -1.264 14.377 -1.513 1.00 0.00 C ATOM 1389 O GLN A 92 -1.721 13.308 -1.932 1.00 0.00 O ATOM 1390 CB GLN A 92 0.927 13.335 -0.956 1.00 0.00 C ATOM 1391 CG GLN A 92 2.441 13.370 -0.819 1.00 0.00 C ATOM 1392 CD GLN A 92 2.973 12.135 -0.115 1.00 0.00 C ATOM 1393 OE1 GLN A 92 3.300 11.133 -0.733 1.00 0.00 O ATOM 1394 NE2 GLN A 92 3.048 12.200 1.194 1.00 0.00 N ATOM 0 H GLN A 92 0.104 15.761 0.321 1.00 0.00 H new ATOM 0 HA GLN A 92 0.616 14.889 -2.479 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.499 13.101 0.019 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.661 12.517 -1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.894 13.448 -1.808 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.735 14.260 -0.263 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.767 13.052 1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.387 11.399 1.726 1.00 0.00 H new ATOM 1403 N ASN A 93 -2.024 15.385 -1.137 1.00 0.00 N ATOM 1404 CA ASN A 93 -3.496 15.292 -0.891 1.00 0.00 C ATOM 1405 C ASN A 93 -4.306 14.686 -2.036 1.00 0.00 C ATOM 1406 O ASN A 93 -5.255 13.930 -1.800 1.00 0.00 O ATOM 1407 CB ASN A 93 -4.061 16.663 -0.489 1.00 0.00 C ATOM 1408 CG ASN A 93 -5.522 16.611 -0.064 1.00 0.00 C ATOM 1409 OD1 ASN A 93 -6.418 16.751 -0.882 1.00 0.00 O ATOM 1410 ND2 ASN A 93 -5.770 16.438 1.219 1.00 0.00 N ATOM 0 H ASN A 93 -1.653 16.323 -0.984 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.605 14.587 -0.067 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.466 17.068 0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.958 17.351 -1.328 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.733 16.418 1.554 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.999 16.324 1.877 1.00 0.00 H new ATOM 1417 N PHE A 94 -3.894 14.943 -3.256 1.00 0.00 N ATOM 1418 CA PHE A 94 -4.628 14.475 -4.429 1.00 0.00 C ATOM 1419 C PHE A 94 -4.719 12.932 -4.519 1.00 0.00 C ATOM 1420 O PHE A 94 -5.641 12.391 -5.125 1.00 0.00 O ATOM 1421 CB PHE A 94 -4.096 15.119 -5.734 1.00 0.00 C ATOM 1422 CG PHE A 94 -2.623 14.906 -6.026 1.00 0.00 C ATOM 1423 CD1 PHE A 94 -1.650 15.648 -5.364 1.00 0.00 C ATOM 1424 CD2 PHE A 94 -2.219 13.987 -6.979 1.00 0.00 C ATOM 1425 CE1 PHE A 94 -0.310 15.470 -5.645 1.00 0.00 C ATOM 1426 CE2 PHE A 94 -0.877 13.804 -7.263 1.00 0.00 C ATOM 1427 CZ PHE A 94 0.077 14.546 -6.594 1.00 0.00 C ATOM 0 H PHE A 94 -3.051 15.476 -3.472 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.656 14.815 -4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.673 14.726 -6.571 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.286 16.191 -5.691 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.947 16.373 -4.620 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.960 13.406 -7.507 1.00 0.00 H new ATOM 0 HE1 PHE A 94 0.434 16.053 -5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.576 13.082 -8.007 1.00 0.00 H new ATOM 0 HZ PHE A 94 1.125 14.403 -6.813 1.00 0.00 H new ATOM 1437 N LEU A 95 -3.796 12.234 -3.870 1.00 0.00 N ATOM 1438 CA LEU A 95 -3.825 10.770 -3.858 1.00 0.00 C ATOM 1439 C LEU A 95 -4.837 10.251 -2.884 1.00 0.00 C ATOM 1440 O LEU A 95 -5.469 9.226 -3.113 1.00 0.00 O ATOM 1441 CB LEU A 95 -2.471 10.181 -3.474 1.00 0.00 C ATOM 1442 CG LEU A 95 -1.596 9.656 -4.617 1.00 0.00 C ATOM 1443 CD1 LEU A 95 -2.292 8.504 -5.319 1.00 0.00 C ATOM 1444 CD2 LEU A 95 -1.268 10.738 -5.608 1.00 0.00 C ATOM 0 H LEU A 95 -3.024 12.649 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.087 10.467 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.908 10.945 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.643 9.363 -2.774 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.659 9.306 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.662 8.138 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.471 7.699 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.243 8.847 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.646 10.327 -6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.190 11.132 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.729 11.541 -5.105 1.00 0.00 H new ATOM 1456 N ILE A 96 -5.036 10.991 -1.838 1.00 0.00 N ATOM 1457 CA ILE A 96 -5.814 10.530 -0.704 1.00 0.00 C ATOM 1458 C ILE A 96 -7.275 10.491 -1.085 1.00 0.00 C ATOM 1459 O ILE A 96 -8.028 9.646 -0.611 1.00 0.00 O ATOM 1460 CB ILE A 96 -5.592 11.444 0.526 1.00 0.00 C ATOM 1461 CG1 ILE A 96 -4.141 11.894 0.555 1.00 0.00 C ATOM 1462 CG2 ILE A 96 -5.885 10.695 1.844 1.00 0.00 C ATOM 1463 CD1 ILE A 96 -3.124 10.776 0.672 1.00 0.00 C ATOM 0 H ILE A 96 -4.667 11.936 -1.735 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.487 9.527 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 96 -6.270 12.293 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.934 12.459 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.005 12.577 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.719 11.365 2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -6.921 10.356 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.222 9.834 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.119 11.198 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.297 10.222 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.224 10.103 -0.179 1.00 0.00 H new ATOM 1475 N GLN A 97 -7.658 11.381 -1.989 1.00 0.00 N ATOM 1476 CA GLN A 97 -9.001 11.394 -2.533 1.00 0.00 C ATOM 1477 C GLN A 97 -9.248 10.093 -3.308 1.00 0.00 C ATOM 1478 O GLN A 97 -10.311 9.491 -3.198 1.00 0.00 O ATOM 1479 CB GLN A 97 -9.207 12.619 -3.441 1.00 0.00 C ATOM 1480 CG GLN A 97 -10.592 12.711 -4.097 1.00 0.00 C ATOM 1481 CD GLN A 97 -11.738 12.765 -3.094 1.00 0.00 C ATOM 1482 OE1 GLN A 97 -12.141 13.823 -2.657 1.00 0.00 O ATOM 1483 NE2 GLN A 97 -12.277 11.621 -2.741 1.00 0.00 N ATOM 0 H GLN A 97 -7.048 12.109 -2.362 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.719 11.463 -1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.039 13.521 -2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.450 12.604 -4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -10.629 13.600 -4.727 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -10.733 11.851 -4.752 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -11.917 10.747 -3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.056 11.606 -2.083 1.00 0.00 H new ATOM 1492 N LYS A 98 -8.233 9.648 -4.042 1.00 0.00 N ATOM 1493 CA LYS A 98 -8.306 8.415 -4.818 1.00 0.00 C ATOM 1494 C LYS A 98 -8.387 7.206 -3.880 1.00 0.00 C ATOM 1495 O LYS A 98 -9.183 6.294 -4.106 1.00 0.00 O ATOM 1496 CB LYS A 98 -7.075 8.289 -5.750 1.00 0.00 C ATOM 1497 CG LYS A 98 -6.959 6.983 -6.580 1.00 0.00 C ATOM 1498 CD LYS A 98 -7.808 6.945 -7.877 1.00 0.00 C ATOM 1499 CE LYS A 98 -9.319 6.961 -7.654 1.00 0.00 C ATOM 1500 NZ LYS A 98 -9.784 5.843 -6.812 1.00 0.00 N1+ ATOM 0 H LYS A 98 -7.338 10.131 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.205 8.443 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.084 9.132 -6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.176 8.386 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.913 6.833 -6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.252 6.144 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.537 7.800 -8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.547 6.048 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.603 7.904 -7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.825 6.918 -8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.820 5.771 -6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.355 4.956 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.505 6.013 -5.825 1.00 0.00 H new ATOM 1514 N ILE A 99 -7.573 7.229 -2.840 1.00 0.00 N ATOM 1515 CA ILE A 99 -7.520 6.156 -1.844 1.00 0.00 C ATOM 1516 C ILE A 99 -8.864 6.036 -1.108 1.00 0.00 C ATOM 1517 O ILE A 99 -9.447 4.945 -1.023 1.00 0.00 O ATOM 1518 CB ILE A 99 -6.377 6.419 -0.820 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -5.035 6.553 -1.562 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -6.307 5.295 0.220 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -3.871 6.963 -0.688 1.00 0.00 C ATOM 0 H ILE A 99 -6.924 7.994 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.319 5.219 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.586 7.350 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.799 5.600 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.148 7.286 -2.361 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.501 5.501 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.253 5.238 0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.117 4.346 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.968 7.033 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.080 7.932 -0.235 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.725 6.220 0.096 1.00 0.00 H new ATOM 1533 N THR A 100 -9.356 7.167 -0.617 1.00 0.00 N ATOM 1534 CA THR A 100 -10.624 7.236 0.092 1.00 0.00 C ATOM 1535 C THR A 100 -11.767 6.759 -0.821 1.00 0.00 C ATOM 1536 O THR A 100 -12.625 5.978 -0.406 1.00 0.00 O ATOM 1537 CB THR A 100 -10.878 8.689 0.571 1.00 0.00 C ATOM 1538 OG1 THR A 100 -9.759 9.124 1.355 1.00 0.00 O ATOM 1539 CG2 THR A 100 -12.141 8.796 1.413 1.00 0.00 C ATOM 0 H THR A 100 -8.882 8.066 -0.701 1.00 0.00 H new ATOM 0 HA THR A 100 -10.585 6.582 0.963 1.00 0.00 H new ATOM 0 HB THR A 100 -11.005 9.317 -0.311 1.00 0.00 H new ATOM 0 HG1 THR A 100 -9.083 9.522 0.768 1.00 0.00 H new ATOM 0 HG21 THR A 100 -12.282 9.830 1.728 1.00 0.00 H new ATOM 0 HG22 THR A 100 -13.000 8.476 0.823 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.047 8.158 2.292 1.00 0.00 H new ATOM 1547 N ASP A 101 -11.720 7.192 -2.077 1.00 0.00 N ATOM 1548 CA ASP A 101 -12.699 6.798 -3.094 1.00 0.00 C ATOM 1549 C ASP A 101 -12.804 5.278 -3.230 1.00 0.00 C ATOM 1550 O ASP A 101 -13.903 4.728 -3.380 1.00 0.00 O ATOM 1551 CB ASP A 101 -12.357 7.444 -4.447 1.00 0.00 C ATOM 1552 CG ASP A 101 -13.039 6.772 -5.614 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -14.245 6.810 -5.715 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -12.334 6.111 -6.407 1.00 0.00 O1- ATOM 0 H ASP A 101 -11.001 7.828 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 101 -13.674 7.160 -2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -12.643 8.496 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -11.278 7.410 -4.596 1.00 0.00 H new ATOM 1559 N GLU A 102 -11.680 4.590 -3.154 1.00 0.00 N ATOM 1560 CA GLU A 102 -11.705 3.150 -3.262 1.00 0.00 C ATOM 1561 C GLU A 102 -12.414 2.545 -2.072 1.00 0.00 C ATOM 1562 O GLU A 102 -13.396 1.839 -2.242 1.00 0.00 O ATOM 1563 CB GLU A 102 -10.307 2.546 -3.432 1.00 0.00 C ATOM 1564 CG GLU A 102 -9.541 3.045 -4.655 1.00 0.00 C ATOM 1565 CD GLU A 102 -10.266 2.852 -5.990 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -11.419 2.364 -6.014 1.00 0.00 O ATOM 1567 OE2 GLU A 102 -9.702 3.264 -7.020 1.00 0.00 O1- ATOM 0 H GLU A 102 -10.755 4.999 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.260 2.906 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -9.721 2.764 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -10.400 1.462 -3.496 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.327 4.106 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.582 2.529 -4.701 1.00 0.00 H new ATOM 1574 N VAL A 103 -11.967 2.912 -0.876 1.00 0.00 N ATOM 1575 CA VAL A 103 -12.524 2.397 0.385 1.00 0.00 C ATOM 1576 C VAL A 103 -14.056 2.560 0.439 1.00 0.00 C ATOM 1577 O VAL A 103 -14.780 1.626 0.776 1.00 0.00 O ATOM 1578 CB VAL A 103 -11.867 3.106 1.614 1.00 0.00 C ATOM 1579 CG1 VAL A 103 -12.502 2.664 2.923 1.00 0.00 C ATOM 1580 CG2 VAL A 103 -10.372 2.830 1.654 1.00 0.00 C ATOM 0 H VAL A 103 -11.205 3.578 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 103 -12.295 1.332 0.427 1.00 0.00 H new ATOM 0 HB VAL A 103 -12.035 4.177 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -12.019 3.178 3.754 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -13.564 2.909 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -12.379 1.588 3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.932 3.332 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.202 1.756 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -9.908 3.204 0.741 1.00 0.00 H new ATOM 1590 N LEU A 104 -14.531 3.718 0.046 1.00 0.00 N ATOM 1591 CA LEU A 104 -15.959 4.009 0.078 1.00 0.00 C ATOM 1592 C LEU A 104 -16.772 3.159 -0.926 1.00 0.00 C ATOM 1593 O LEU A 104 -17.888 2.728 -0.618 1.00 0.00 O ATOM 1594 CB LEU A 104 -16.239 5.518 -0.132 1.00 0.00 C ATOM 1595 CG LEU A 104 -16.127 6.462 1.095 1.00 0.00 C ATOM 1596 CD1 LEU A 104 -14.786 6.359 1.800 1.00 0.00 C ATOM 1597 CD2 LEU A 104 -16.392 7.898 0.678 1.00 0.00 C ATOM 0 H LEU A 104 -13.953 4.482 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 104 -16.297 3.731 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -15.551 5.881 -0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -17.246 5.617 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 104 -16.884 6.141 1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.768 7.042 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.638 5.338 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.988 6.622 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.311 8.550 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.661 8.200 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -17.395 7.976 0.259 1.00 0.00 H new ATOM 1609 N LYS A 105 -16.227 2.915 -2.115 1.00 0.00 N ATOM 1610 CA LYS A 105 -16.953 2.117 -3.113 1.00 0.00 C ATOM 1611 C LYS A 105 -16.843 0.639 -2.797 1.00 0.00 C ATOM 1612 O LYS A 105 -17.733 -0.159 -3.125 1.00 0.00 O ATOM 1613 CB LYS A 105 -16.435 2.347 -4.518 1.00 0.00 C ATOM 1614 CG LYS A 105 -16.462 3.791 -5.007 1.00 0.00 C ATOM 1615 CD LYS A 105 -16.082 3.895 -6.495 1.00 0.00 C ATOM 1616 CE LYS A 105 -14.738 3.226 -6.811 1.00 0.00 C ATOM 1617 NZ LYS A 105 -13.623 3.817 -6.066 1.00 0.00 N1+ ATOM 0 H LYS A 105 -15.309 3.246 -2.411 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.994 2.438 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.408 1.985 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -17.023 1.739 -5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -17.458 4.208 -4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.772 4.390 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.864 3.434 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.036 4.946 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.802 2.163 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.539 3.307 -7.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.867 3.111 -5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.255 4.639 -6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.954 4.120 -5.128 1.00 0.00 H new ATOM 1631 N LEU A 106 -15.764 0.298 -2.122 1.00 0.00 N ATOM 1632 CA LEU A 106 -15.414 -1.069 -1.769 1.00 0.00 C ATOM 1633 C LEU A 106 -16.478 -1.784 -0.919 1.00 0.00 C ATOM 1634 O LEU A 106 -16.499 -3.004 -0.873 1.00 0.00 O ATOM 1635 CB LEU A 106 -14.033 -1.101 -1.090 1.00 0.00 C ATOM 1636 CG LEU A 106 -12.849 -1.717 -1.891 1.00 0.00 C ATOM 1637 CD1 LEU A 106 -13.067 -3.188 -2.163 1.00 0.00 C ATOM 1638 CD2 LEU A 106 -12.612 -0.985 -3.203 1.00 0.00 C ATOM 0 H LEU A 106 -15.084 0.983 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 106 -15.370 -1.633 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.764 -0.078 -0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.131 -1.655 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.963 -1.603 -1.266 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -12.220 -3.584 -2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -13.158 -3.723 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -13.980 -3.319 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.777 -1.446 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.509 -1.044 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.380 0.060 -3.000 1.00 0.00 H new ATOM 1650 N ARG A 107 -17.387 -1.032 -0.295 1.00 0.00 N ATOM 1651 CA ARG A 107 -18.459 -1.630 0.519 1.00 0.00 C ATOM 1652 C ARG A 107 -19.402 -2.535 -0.278 1.00 0.00 C ATOM 1653 O ARG A 107 -20.108 -3.355 0.294 1.00 0.00 O ATOM 1654 CB ARG A 107 -19.243 -0.598 1.317 1.00 0.00 C ATOM 1655 CG ARG A 107 -19.951 0.481 0.550 1.00 0.00 C ATOM 1656 CD ARG A 107 -20.714 1.312 1.543 1.00 0.00 C ATOM 1657 NE ARG A 107 -21.390 2.469 0.977 1.00 0.00 N ATOM 1658 CZ ARG A 107 -22.250 3.220 1.681 1.00 0.00 C ATOM 1659 NH1 ARG A 107 -22.520 2.909 2.963 1.00 0.00 N1+ ATOM 1660 NH2 ARG A 107 -22.831 4.286 1.115 1.00 0.00 N ATOM 0 H ARG A 107 -17.407 -0.013 -0.334 1.00 0.00 H new ATOM 0 HA ARG A 107 -17.936 -2.269 1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -19.985 -1.128 1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -18.555 -0.119 2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -19.236 1.096 0.004 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -20.627 0.047 -0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -21.454 0.679 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -20.025 1.653 2.316 1.00 0.00 H new ATOM 0 HE ARG A 107 -21.203 2.719 0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -22.071 2.103 3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -23.174 3.479 3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -22.620 4.528 0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -23.485 4.856 1.652 1.00 0.00 H new ATOM 1674 N ASN A 108 -19.420 -2.391 -1.591 1.00 0.00 N ATOM 1675 CA ASN A 108 -20.233 -3.281 -2.426 1.00 0.00 C ATOM 1676 C ASN A 108 -19.549 -4.645 -2.535 1.00 0.00 C ATOM 1677 O ASN A 108 -20.198 -5.690 -2.538 1.00 0.00 O ATOM 1678 CB ASN A 108 -20.478 -2.669 -3.816 1.00 0.00 C ATOM 1679 CG ASN A 108 -21.263 -3.590 -4.747 1.00 0.00 C ATOM 1680 OD1 ASN A 108 -20.693 -4.350 -5.505 1.00 0.00 O ATOM 1681 ND2 ASN A 108 -22.574 -3.532 -4.682 1.00 0.00 N ATOM 0 H ASN A 108 -18.894 -1.682 -2.102 1.00 0.00 H new ATOM 0 HA ASN A 108 -21.208 -3.412 -1.957 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -21.020 -1.730 -3.702 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -19.519 -2.430 -4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -23.141 -4.135 -5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -23.024 -2.884 -4.036 1.00 0.00 H new ATOM 1688 N ILE A 109 -18.226 -4.602 -2.508 1.00 0.00 N ATOM 1689 CA ILE A 109 -17.358 -5.772 -2.604 1.00 0.00 C ATOM 1690 C ILE A 109 -17.557 -6.703 -1.401 1.00 0.00 C ATOM 1691 O ILE A 109 -17.322 -7.917 -1.499 1.00 0.00 O ATOM 1692 CB ILE A 109 -15.838 -5.385 -2.852 1.00 0.00 C ATOM 1693 CG1 ILE A 109 -15.594 -4.913 -4.315 1.00 0.00 C ATOM 1694 CG2 ILE A 109 -14.871 -6.518 -2.508 1.00 0.00 C ATOM 1695 CD1 ILE A 109 -16.303 -3.636 -4.734 1.00 0.00 C ATOM 0 H ILE A 109 -17.709 -3.728 -2.416 1.00 0.00 H new ATOM 0 HA ILE A 109 -17.656 -6.332 -3.491 1.00 0.00 H new ATOM 0 HB ILE A 109 -15.634 -4.557 -2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -14.522 -4.772 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -15.901 -5.713 -4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -13.848 -6.194 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -14.978 -6.781 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -15.096 -7.388 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -16.058 -3.407 -5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -17.380 -3.769 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -15.980 -2.814 -4.095 1.00 0.00 H new ATOM 1707 N LYS A 110 -17.975 -6.119 -0.257 1.00 0.00 N ATOM 1708 CA LYS A 110 -18.343 -6.896 0.948 1.00 0.00 C ATOM 1709 C LYS A 110 -19.173 -8.118 0.574 1.00 0.00 C ATOM 1710 O LYS A 110 -18.839 -9.210 0.944 1.00 0.00 O ATOM 1711 CB LYS A 110 -19.187 -6.061 1.922 1.00 0.00 C ATOM 1712 CG LYS A 110 -18.479 -5.041 2.752 1.00 0.00 C ATOM 1713 CD LYS A 110 -19.483 -4.357 3.677 1.00 0.00 C ATOM 1714 CE LYS A 110 -19.697 -5.075 5.024 1.00 0.00 C ATOM 1715 NZ LYS A 110 -18.511 -4.975 5.907 1.00 0.00 N1+ ATOM 0 H LYS A 110 -18.066 -5.110 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 110 -17.406 -7.192 1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -19.957 -5.549 1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -19.698 -6.747 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -17.692 -5.515 3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -17.998 -4.303 2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -19.145 -3.339 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -20.441 -4.282 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -20.561 -4.645 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -19.924 -6.125 4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -18.819 -4.937 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -17.902 -5.806 5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -17.978 -4.112 5.677 1.00 0.00 H new ATOM 1729 N LEU A 111 -20.187 -7.908 -0.259 1.00 0.00 N ATOM 1730 CA LEU A 111 -21.156 -8.954 -0.634 1.00 0.00 C ATOM 1731 C LEU A 111 -20.526 -10.057 -1.511 1.00 0.00 C ATOM 1732 O LEU A 111 -21.108 -11.121 -1.699 1.00 0.00 O ATOM 1733 CB LEU A 111 -22.342 -8.318 -1.368 1.00 0.00 C ATOM 1734 CG LEU A 111 -23.099 -7.215 -0.611 1.00 0.00 C ATOM 1735 CD1 LEU A 111 -24.176 -6.604 -1.494 1.00 0.00 C ATOM 1736 CD2 LEU A 111 -23.711 -7.760 0.676 1.00 0.00 C ATOM 0 H LEU A 111 -20.368 -7.006 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 111 -21.495 -9.430 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -21.979 -7.901 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -23.050 -9.107 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 111 -22.385 -6.436 -0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -24.701 -5.825 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -23.716 -6.171 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -24.884 -7.377 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -24.241 -6.961 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -24.409 -8.562 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -22.921 -8.147 1.319 1.00 0.00 H new ATOM 1748 N GLU A 112 -19.365 -9.781 -2.058 1.00 0.00 N ATOM 1749 CA GLU A 112 -18.656 -10.745 -2.875 1.00 0.00 C ATOM 1750 C GLU A 112 -17.756 -11.590 -1.975 1.00 0.00 C ATOM 1751 O GLU A 112 -17.588 -12.792 -2.172 1.00 0.00 O ATOM 1752 CB GLU A 112 -17.788 -10.016 -3.915 1.00 0.00 C ATOM 1753 CG GLU A 112 -17.000 -10.941 -4.835 1.00 0.00 C ATOM 1754 CD GLU A 112 -15.967 -10.204 -5.655 1.00 0.00 C ATOM 1755 OE1 GLU A 112 -14.808 -10.072 -5.169 1.00 0.00 O ATOM 1756 OE2 GLU A 112 -16.281 -9.766 -6.754 1.00 0.00 O1- ATOM 0 H GLU A 112 -18.885 -8.887 -1.952 1.00 0.00 H new ATOM 0 HA GLU A 112 -19.376 -11.380 -3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -18.429 -9.378 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -17.090 -9.361 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -16.505 -11.706 -4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -17.690 -11.456 -5.504 1.00 0.00 H new ATOM 1763 N HIS A 113 -17.187 -10.952 -0.968 1.00 0.00 N ATOM 1764 CA HIS A 113 -16.227 -11.624 -0.106 1.00 0.00 C ATOM 1765 C HIS A 113 -16.871 -12.211 1.144 1.00 0.00 C ATOM 1766 O HIS A 113 -16.307 -13.098 1.778 1.00 0.00 O ATOM 1767 CB HIS A 113 -14.965 -10.749 0.170 1.00 0.00 C ATOM 1768 CG HIS A 113 -14.152 -10.512 -1.097 1.00 0.00 C ATOM 1769 ND1 HIS A 113 -13.192 -9.522 -1.264 1.00 0.00 N ATOM 1770 CD2 HIS A 113 -14.206 -11.157 -2.285 1.00 0.00 C ATOM 1771 CE1 HIS A 113 -12.725 -9.585 -2.498 1.00 0.00 C ATOM 1772 NE2 HIS A 113 -13.326 -10.562 -3.131 1.00 0.00 N ATOM 0 H HIS A 113 -17.370 -9.978 -0.727 1.00 0.00 H new ATOM 0 HA HIS A 113 -15.856 -12.489 -0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -15.272 -9.791 0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -14.340 -11.238 0.917 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -12.896 -8.856 -0.551 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.840 -12.000 -2.520 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -11.970 -8.936 -2.917 1.00 0.00 H new ATOM 1781 N LEU A 114 -18.041 -11.724 1.480 1.00 0.00 N ATOM 1782 CA LEU A 114 -18.836 -12.267 2.552 1.00 0.00 C ATOM 1783 C LEU A 114 -20.276 -12.277 2.109 1.00 0.00 C ATOM 1784 O LEU A 114 -20.688 -11.397 1.365 1.00 0.00 O ATOM 1785 CB LEU A 114 -18.652 -11.480 3.898 1.00 0.00 C ATOM 1786 CG LEU A 114 -19.081 -9.978 3.977 1.00 0.00 C ATOM 1787 CD1 LEU A 114 -20.611 -9.785 4.001 1.00 0.00 C ATOM 1788 CD2 LEU A 114 -18.452 -9.319 5.190 1.00 0.00 C ATOM 0 H LEU A 114 -18.473 -10.929 1.009 1.00 0.00 H new ATOM 0 HA LEU A 114 -18.502 -13.283 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -19.204 -12.018 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -17.597 -11.533 4.165 1.00 0.00 H new ATOM 0 HG LEU A 114 -18.720 -9.501 3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -20.843 -8.721 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -21.045 -10.204 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -21.028 -10.293 4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -18.757 -8.274 5.235 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -18.780 -9.832 6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -17.366 -9.377 5.113 1.00 0.00 H new ATOM 1800 N LYS A 115 -21.006 -13.271 2.533 1.00 0.00 N ATOM 1801 CA LYS A 115 -22.415 -13.431 2.282 1.00 0.00 C ATOM 1802 C LYS A 115 -22.678 -14.825 2.805 1.00 0.00 C ATOM 1803 O LYS A 115 -23.638 -15.487 2.413 1.00 0.00 O ATOM 1804 CB LYS A 115 -22.787 -13.334 0.732 1.00 0.00 C ATOM 1805 CG LYS A 115 -22.453 -14.565 -0.151 1.00 0.00 C ATOM 1806 CD LYS A 115 -20.986 -14.969 -0.099 1.00 0.00 C ATOM 1807 CE LYS A 115 -20.861 -16.481 0.029 1.00 0.00 C ATOM 1808 NZ LYS A 115 -21.543 -16.987 1.269 1.00 0.00 N1+ ATOM 1809 OXT LYS A 115 -21.704 -15.360 3.422 1.00 0.00 O1- ATOM 0 H LYS A 115 -20.616 -14.031 3.091 1.00 0.00 H new ATOM 0 HA LYS A 115 -23.011 -12.649 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -23.857 -13.140 0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -22.274 -12.468 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -23.065 -15.408 0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -22.725 -14.346 -1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.476 -14.630 -1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.497 -14.484 0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -21.297 -16.959 -0.848 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.807 -16.759 0.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -21.381 -18.010 1.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.156 -16.499 2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -22.564 -16.803 1.203 1.00 0.00 H new TER 1823 LYS A 115