USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 839 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 80 THR OG1 : rot 180:sc= -0.0105 USER MOD Set 1.2: A 83 ASN : amide:sc= -2.41! K(o=-2.4!,f=-4) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00306 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 148:sc= -0.149 (180deg=-0.939) USER MOD Single : A 15 HIS : no HD1:sc= -8.67! C(o=-8.7!,f=-4.4!) USER MOD Single : A 19 LYS NZ :NH3+ -147:sc= -0.691 (180deg=-1.96!) USER MOD Single : A 20 GLN : amide:sc= -3.38 K(o=-3.4,f=-5.3!) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc=-0.00602 (180deg=-0.12) USER MOD Single : A 24 HIS : no HD1:sc= -7.7! C(o=-7.7!,f=-14!) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0619) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.396) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -9.84! C(o=-9.8!,f=-15!) USER MOD Single : A 32 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.16) USER MOD Single : A 36 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.2) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -89:sc= -3.84! USER MOD Single : A 46 THR OG1 : rot -41:sc= 0.966 USER MOD Single : A 53 SER OG : rot 130:sc= 1.33 USER MOD Single : A 57 GLN : amide:sc= -0.553 K(o=-0.55,f=-3.8!) USER MOD Single : A 62 CYS SG : rot 83:sc= -0.734 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 153:sc= -0.332 (180deg=-1.53!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -137:sc=-0.00512 (180deg=-0.123) USER MOD Single : A 85 GLN : amide:sc= -0.0317 K(o=-0.032,f=-1.4!) USER MOD Single : A 90 LYS NZ :NH3+ 161:sc= -0.0076 (180deg=-0.179) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.848 -13.996 8.300 1.00 0.00 N ATOM 2 CA ALA A 1 -18.549 -14.693 8.082 1.00 0.00 C ATOM 3 C ALA A 1 -18.636 -15.554 6.821 1.00 0.00 C ATOM 4 O ALA A 1 -19.136 -16.661 6.847 1.00 0.00 O ATOM 5 CB ALA A 1 -18.241 -15.585 9.288 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.788 -13.411 9.158 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.059 -13.390 7.481 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.605 -14.700 8.413 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.756 -13.954 7.963 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.291 -16.095 9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.178 -14.972 10.187 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.034 -16.323 9.407 1.00 0.00 H new ATOM 11 N GLY A 2 -18.155 -15.053 5.715 1.00 0.00 N ATOM 12 CA GLY A 2 -18.212 -15.845 4.454 1.00 0.00 C ATOM 13 C GLY A 2 -18.047 -14.909 3.255 1.00 0.00 C ATOM 14 O GLY A 2 -19.007 -14.528 2.615 1.00 0.00 O ATOM 0 H GLY A 2 -17.726 -14.131 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -17.426 -16.600 4.450 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.162 -16.374 4.387 1.00 0.00 H new ATOM 18 N TYR A 3 -16.835 -14.535 2.945 1.00 0.00 N ATOM 19 CA TYR A 3 -16.610 -13.625 1.787 1.00 0.00 C ATOM 20 C TYR A 3 -16.660 -14.428 0.487 1.00 0.00 C ATOM 21 O TYR A 3 -16.128 -15.518 0.398 1.00 0.00 O ATOM 22 CB TYR A 3 -15.235 -12.961 1.920 1.00 0.00 C ATOM 23 CG TYR A 3 -15.315 -11.819 2.905 1.00 0.00 C ATOM 24 CD1 TYR A 3 -15.783 -10.567 2.489 1.00 0.00 C ATOM 25 CD2 TYR A 3 -14.918 -12.011 4.234 1.00 0.00 C ATOM 26 CE1 TYR A 3 -15.854 -9.508 3.401 1.00 0.00 C ATOM 27 CE2 TYR A 3 -14.989 -10.952 5.146 1.00 0.00 C ATOM 28 CZ TYR A 3 -15.457 -9.700 4.729 1.00 0.00 C ATOM 29 OH TYR A 3 -15.527 -8.655 5.629 1.00 0.00 O ATOM 0 H TYR A 3 -15.992 -14.820 3.443 1.00 0.00 H new ATOM 0 HA TYR A 3 -17.386 -12.860 1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -14.498 -13.692 2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -14.902 -12.594 0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -16.089 -10.418 1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -14.557 -12.977 4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.215 -8.542 3.080 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -14.683 -11.100 6.171 1.00 0.00 H new ATOM 0 HH TYR A 3 -15.215 -8.958 6.507 1.00 0.00 H new ATOM 39 N THR A 4 -17.292 -13.895 -0.524 1.00 0.00 N ATOM 40 CA THR A 4 -17.380 -14.614 -1.829 1.00 0.00 C ATOM 41 C THR A 4 -16.779 -13.735 -2.926 1.00 0.00 C ATOM 42 O THR A 4 -16.781 -12.524 -2.831 1.00 0.00 O ATOM 43 CB THR A 4 -18.848 -14.903 -2.153 1.00 0.00 C ATOM 44 OG1 THR A 4 -19.553 -13.675 -2.282 1.00 0.00 O ATOM 45 CG2 THR A 4 -19.468 -15.735 -1.031 1.00 0.00 C ATOM 0 H THR A 4 -17.754 -12.986 -0.502 1.00 0.00 H new ATOM 0 HA THR A 4 -16.831 -15.554 -1.770 1.00 0.00 H new ATOM 0 HB THR A 4 -18.911 -15.459 -3.089 1.00 0.00 H new ATOM 0 HG1 THR A 4 -20.493 -13.858 -2.491 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.513 -15.939 -1.264 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.927 -16.676 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.407 -15.184 -0.093 1.00 0.00 H new ATOM 53 N GLU A 5 -16.264 -14.332 -3.965 1.00 0.00 N ATOM 54 CA GLU A 5 -15.662 -13.527 -5.065 1.00 0.00 C ATOM 55 C GLU A 5 -16.601 -12.374 -5.427 1.00 0.00 C ATOM 56 O GLU A 5 -16.170 -11.268 -5.684 1.00 0.00 O ATOM 57 CB GLU A 5 -15.451 -14.417 -6.291 1.00 0.00 C ATOM 58 CG GLU A 5 -14.663 -15.664 -5.887 1.00 0.00 C ATOM 59 CD GLU A 5 -14.261 -16.443 -7.140 1.00 0.00 C ATOM 60 OE1 GLU A 5 -13.735 -15.827 -8.053 1.00 0.00 O ATOM 61 OE2 GLU A 5 -14.484 -17.643 -7.165 1.00 0.00 O ATOM 0 H GLU A 5 -16.234 -15.343 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 5 -14.703 -13.125 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -16.413 -14.704 -6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.913 -13.868 -7.064 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.775 -15.379 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.267 -16.293 -5.233 1.00 0.00 H new ATOM 68 N ILE A 6 -17.881 -12.624 -5.448 1.00 0.00 N ATOM 69 CA ILE A 6 -18.848 -11.544 -5.793 1.00 0.00 C ATOM 70 C ILE A 6 -18.680 -10.375 -4.822 1.00 0.00 C ATOM 71 O ILE A 6 -18.346 -9.274 -5.213 1.00 0.00 O ATOM 72 CB ILE A 6 -20.276 -12.088 -5.691 1.00 0.00 C ATOM 73 CG1 ILE A 6 -20.459 -13.252 -6.678 1.00 0.00 C ATOM 74 CG2 ILE A 6 -21.275 -10.970 -6.009 1.00 0.00 C ATOM 75 CD1 ILE A 6 -20.821 -12.718 -8.068 1.00 0.00 C ATOM 0 H ILE A 6 -18.300 -13.531 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 6 -18.659 -11.200 -6.810 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.455 -12.450 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -19.542 -13.838 -6.734 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -21.243 -13.920 -6.322 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -22.291 -11.358 -5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -21.146 -10.154 -5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -21.099 -10.601 -7.020 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -20.948 -13.553 -8.757 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -21.750 -12.152 -8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -20.023 -12.069 -8.428 1.00 0.00 H new ATOM 87 N GLU A 7 -18.914 -10.603 -3.557 1.00 0.00 N ATOM 88 CA GLU A 7 -18.771 -9.501 -2.563 1.00 0.00 C ATOM 89 C GLU A 7 -17.459 -8.752 -2.812 1.00 0.00 C ATOM 90 O GLU A 7 -17.449 -7.564 -3.066 1.00 0.00 O ATOM 91 CB GLU A 7 -18.763 -10.087 -1.147 1.00 0.00 C ATOM 92 CG GLU A 7 -19.147 -9.001 -0.138 1.00 0.00 C ATOM 93 CD GLU A 7 -20.653 -8.743 -0.214 1.00 0.00 C ATOM 94 OE1 GLU A 7 -21.387 -9.433 0.474 1.00 0.00 O ATOM 95 OE2 GLU A 7 -21.046 -7.860 -0.958 1.00 0.00 O ATOM 0 H GLU A 7 -19.197 -11.503 -3.170 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.608 -8.810 -2.666 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.463 -10.920 -1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.775 -10.483 -0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.871 -9.312 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.599 -8.083 -0.350 1.00 0.00 H new ATOM 102 N LYS A 8 -16.353 -9.439 -2.741 1.00 0.00 N ATOM 103 CA LYS A 8 -15.042 -8.770 -2.972 1.00 0.00 C ATOM 104 C LYS A 8 -15.090 -7.978 -4.278 1.00 0.00 C ATOM 105 O LYS A 8 -14.573 -6.886 -4.367 1.00 0.00 O ATOM 106 CB LYS A 8 -13.941 -9.829 -3.058 1.00 0.00 C ATOM 107 CG LYS A 8 -13.720 -10.448 -1.677 1.00 0.00 C ATOM 108 CD LYS A 8 -12.681 -11.570 -1.777 1.00 0.00 C ATOM 109 CE LYS A 8 -12.080 -11.843 -0.394 1.00 0.00 C ATOM 110 NZ LYS A 8 -11.553 -13.236 -0.351 1.00 0.00 N ATOM 0 H LYS A 8 -16.300 -10.436 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 8 -14.833 -8.090 -2.147 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.220 -10.602 -3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.016 -9.379 -3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.381 -9.686 -0.976 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.659 -10.842 -1.289 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.146 -12.475 -2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -11.894 -11.289 -2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.280 -11.133 -0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.837 -11.705 0.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.144 -13.424 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.328 -13.906 -0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.818 -13.352 -1.078 1.00 0.00 H new ATOM 124 N LEU A 9 -15.702 -8.516 -5.295 1.00 0.00 N ATOM 125 CA LEU A 9 -15.771 -7.782 -6.590 1.00 0.00 C ATOM 126 C LEU A 9 -16.586 -6.497 -6.404 1.00 0.00 C ATOM 127 O LEU A 9 -16.196 -5.433 -6.844 1.00 0.00 O ATOM 128 CB LEU A 9 -16.442 -8.676 -7.645 1.00 0.00 C ATOM 129 CG LEU A 9 -15.912 -8.342 -9.047 1.00 0.00 C ATOM 130 CD1 LEU A 9 -16.066 -6.842 -9.315 1.00 0.00 C ATOM 131 CD2 LEU A 9 -14.429 -8.736 -9.158 1.00 0.00 C ATOM 0 H LEU A 9 -16.156 -9.429 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.765 -7.525 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.250 -9.725 -7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -17.523 -8.536 -7.615 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.486 -8.902 -9.785 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.689 -6.610 -10.311 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.119 -6.568 -9.253 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.500 -6.280 -8.572 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.062 -8.495 -10.156 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.850 -8.186 -8.416 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.323 -9.806 -8.981 1.00 0.00 H new ATOM 143 N GLU A 10 -17.717 -6.591 -5.761 1.00 0.00 N ATOM 144 CA GLU A 10 -18.561 -5.381 -5.552 1.00 0.00 C ATOM 145 C GLU A 10 -17.752 -4.294 -4.838 1.00 0.00 C ATOM 146 O GLU A 10 -17.606 -3.193 -5.332 1.00 0.00 O ATOM 147 CB GLU A 10 -19.778 -5.750 -4.699 1.00 0.00 C ATOM 148 CG GLU A 10 -20.667 -6.725 -5.473 1.00 0.00 C ATOM 149 CD GLU A 10 -21.872 -7.110 -4.612 1.00 0.00 C ATOM 150 OE1 GLU A 10 -22.749 -6.277 -4.450 1.00 0.00 O ATOM 151 OE2 GLU A 10 -21.896 -8.229 -4.129 1.00 0.00 O ATOM 0 H GLU A 10 -18.094 -7.455 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.890 -5.004 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.455 -6.202 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.341 -4.853 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.003 -6.267 -6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.100 -7.616 -5.742 1.00 0.00 H new ATOM 158 N ILE A 11 -17.236 -4.585 -3.675 1.00 0.00 N ATOM 159 CA ILE A 11 -16.451 -3.558 -2.931 1.00 0.00 C ATOM 160 C ILE A 11 -15.167 -3.223 -3.692 1.00 0.00 C ATOM 161 O ILE A 11 -14.969 -2.107 -4.115 1.00 0.00 O ATOM 162 CB ILE A 11 -16.097 -4.084 -1.533 1.00 0.00 C ATOM 163 CG1 ILE A 11 -15.978 -5.615 -1.563 1.00 0.00 C ATOM 164 CG2 ILE A 11 -17.187 -3.678 -0.536 1.00 0.00 C ATOM 165 CD1 ILE A 11 -14.965 -6.074 -0.508 1.00 0.00 C ATOM 0 H ILE A 11 -17.324 -5.488 -3.208 1.00 0.00 H new ATOM 0 HA ILE A 11 -17.055 -2.656 -2.836 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.144 -3.655 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.950 -6.069 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.663 -5.946 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.932 -4.053 0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.264 -2.591 -0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.142 -4.100 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.882 -7.161 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.992 -5.631 -0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.299 -5.757 0.480 1.00 0.00 H new ATOM 177 N VAL A 12 -14.288 -4.173 -3.860 1.00 0.00 N ATOM 178 CA VAL A 12 -13.007 -3.898 -4.579 1.00 0.00 C ATOM 179 C VAL A 12 -13.248 -2.962 -5.764 1.00 0.00 C ATOM 180 O VAL A 12 -12.435 -2.109 -6.062 1.00 0.00 O ATOM 181 CB VAL A 12 -12.410 -5.213 -5.086 1.00 0.00 C ATOM 182 CG1 VAL A 12 -11.160 -4.918 -5.919 1.00 0.00 C ATOM 183 CG2 VAL A 12 -12.031 -6.094 -3.892 1.00 0.00 C ATOM 0 H VAL A 12 -14.400 -5.132 -3.530 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.314 -3.420 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.144 -5.732 -5.703 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.734 -5.854 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.429 -4.290 -6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.426 -4.400 -5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.606 -7.031 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.297 -5.575 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.920 -6.304 -3.298 1.00 0.00 H new ATOM 193 N LYS A 13 -14.335 -3.118 -6.458 1.00 0.00 N ATOM 194 CA LYS A 13 -14.589 -2.236 -7.630 1.00 0.00 C ATOM 195 C LYS A 13 -15.186 -0.884 -7.204 1.00 0.00 C ATOM 196 O LYS A 13 -14.873 0.141 -7.773 1.00 0.00 O ATOM 197 CB LYS A 13 -15.550 -2.935 -8.592 1.00 0.00 C ATOM 198 CG LYS A 13 -15.501 -2.241 -9.957 1.00 0.00 C ATOM 199 CD LYS A 13 -16.407 -2.981 -10.950 1.00 0.00 C ATOM 200 CE LYS A 13 -17.840 -2.454 -10.834 1.00 0.00 C ATOM 201 NZ LYS A 13 -17.883 -1.031 -11.278 1.00 0.00 N ATOM 0 H LYS A 13 -15.057 -3.813 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.635 -2.044 -8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.277 -3.985 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.564 -2.907 -8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.823 -1.204 -9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.477 -2.223 -10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.039 -2.841 -11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.386 -4.052 -10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.511 -3.057 -11.445 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.187 -2.535 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.806 -0.831 -11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.745 -0.407 -10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.128 -0.861 -11.973 1.00 0.00 H new ATOM 215 N ASP A 14 -16.074 -0.874 -6.248 1.00 0.00 N ATOM 216 CA ASP A 14 -16.717 0.417 -5.839 1.00 0.00 C ATOM 217 C ASP A 14 -15.833 1.231 -4.880 1.00 0.00 C ATOM 218 O ASP A 14 -15.768 2.440 -4.971 1.00 0.00 O ATOM 219 CB ASP A 14 -18.047 0.112 -5.148 1.00 0.00 C ATOM 220 CG ASP A 14 -18.903 -0.777 -6.052 1.00 0.00 C ATOM 221 OD1 ASP A 14 -18.340 -1.410 -6.930 1.00 0.00 O ATOM 222 OD2 ASP A 14 -20.105 -0.810 -5.849 1.00 0.00 O ATOM 0 H ASP A 14 -16.384 -1.697 -5.732 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.868 1.013 -6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.868 -0.386 -4.195 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.575 1.040 -4.928 1.00 0.00 H new ATOM 227 N HIS A 15 -15.198 0.594 -3.937 1.00 0.00 N ATOM 228 CA HIS A 15 -14.371 1.346 -2.942 1.00 0.00 C ATOM 229 C HIS A 15 -13.097 1.936 -3.567 1.00 0.00 C ATOM 230 O HIS A 15 -12.673 3.015 -3.206 1.00 0.00 O ATOM 231 CB HIS A 15 -13.995 0.410 -1.785 1.00 0.00 C ATOM 232 CG HIS A 15 -12.734 -0.342 -2.116 1.00 0.00 C ATOM 233 ND1 HIS A 15 -11.668 -0.423 -1.230 1.00 0.00 N ATOM 234 CD2 HIS A 15 -12.351 -1.048 -3.228 1.00 0.00 C ATOM 235 CE1 HIS A 15 -10.704 -1.153 -1.821 1.00 0.00 C ATOM 236 NE2 HIS A 15 -11.072 -1.557 -3.037 1.00 0.00 N ATOM 0 H HIS A 15 -15.214 -0.418 -3.809 1.00 0.00 H new ATOM 0 HA HIS A 15 -14.969 2.181 -2.578 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.854 0.987 -0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.807 -0.292 -1.596 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -12.951 -1.187 -4.115 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.751 -1.383 -1.367 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -10.529 -2.121 -3.690 1.00 0.00 H new ATOM 245 N LEU A 16 -12.458 1.233 -4.463 1.00 0.00 N ATOM 246 CA LEU A 16 -11.186 1.757 -5.057 1.00 0.00 C ATOM 247 C LEU A 16 -11.252 3.272 -5.284 1.00 0.00 C ATOM 248 O LEU A 16 -10.270 3.968 -5.120 1.00 0.00 O ATOM 249 CB LEU A 16 -10.889 1.054 -6.391 1.00 0.00 C ATOM 250 CG LEU A 16 -12.125 1.061 -7.306 1.00 0.00 C ATOM 251 CD1 LEU A 16 -12.301 2.435 -7.980 1.00 0.00 C ATOM 252 CD2 LEU A 16 -11.948 -0.005 -8.392 1.00 0.00 C ATOM 0 H LEU A 16 -12.757 0.322 -4.811 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.385 1.550 -4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.059 1.552 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.577 0.027 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.007 0.851 -6.702 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.182 2.415 -8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.426 3.202 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.420 2.662 -8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.820 -0.007 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.056 0.217 -8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.841 -0.985 -7.926 1.00 0.00 H new ATOM 264 N LEU A 17 -12.376 3.793 -5.691 1.00 0.00 N ATOM 265 CA LEU A 17 -12.452 5.259 -5.956 1.00 0.00 C ATOM 266 C LEU A 17 -12.430 6.063 -4.642 1.00 0.00 C ATOM 267 O LEU A 17 -11.483 6.773 -4.377 1.00 0.00 O ATOM 268 CB LEU A 17 -13.726 5.571 -6.758 1.00 0.00 C ATOM 269 CG LEU A 17 -13.390 5.694 -8.252 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.648 5.434 -9.083 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.874 7.105 -8.550 1.00 0.00 C ATOM 0 H LEU A 17 -13.239 3.273 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.579 5.554 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.463 4.783 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.173 6.498 -6.400 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.623 4.963 -8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.409 5.522 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.019 4.430 -8.877 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.414 6.165 -8.822 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.636 7.189 -9.610 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.641 7.835 -8.291 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.977 7.296 -7.961 1.00 0.00 H new ATOM 283 N PRO A 18 -13.462 5.978 -3.837 1.00 0.00 N ATOM 284 CA PRO A 18 -13.544 6.743 -2.550 1.00 0.00 C ATOM 285 C PRO A 18 -12.510 6.295 -1.508 1.00 0.00 C ATOM 286 O PRO A 18 -11.858 7.107 -0.884 1.00 0.00 O ATOM 287 CB PRO A 18 -14.962 6.448 -2.044 1.00 0.00 C ATOM 288 CG PRO A 18 -15.325 5.147 -2.671 1.00 0.00 C ATOM 289 CD PRO A 18 -14.661 5.150 -4.045 1.00 0.00 C ATOM 0 HA PRO A 18 -13.336 7.801 -2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.989 6.384 -0.956 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.658 7.235 -2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.973 4.310 -2.068 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.406 5.043 -2.759 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.403 4.142 -4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.315 5.573 -4.807 1.00 0.00 H new ATOM 297 N LYS A 19 -12.373 5.018 -1.300 1.00 0.00 N ATOM 298 CA LYS A 19 -11.400 4.522 -0.280 1.00 0.00 C ATOM 299 C LYS A 19 -10.074 5.284 -0.388 1.00 0.00 C ATOM 300 O LYS A 19 -9.726 6.070 0.472 1.00 0.00 O ATOM 301 CB LYS A 19 -11.152 3.025 -0.504 1.00 0.00 C ATOM 302 CG LYS A 19 -10.724 2.367 0.812 1.00 0.00 C ATOM 303 CD LYS A 19 -9.454 3.042 1.339 1.00 0.00 C ATOM 304 CE LYS A 19 -8.776 2.130 2.363 1.00 0.00 C ATOM 305 NZ LYS A 19 -7.570 2.812 2.913 1.00 0.00 N ATOM 0 H LYS A 19 -12.892 4.291 -1.792 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.815 4.685 0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.057 2.550 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.379 2.884 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.524 2.450 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.544 1.303 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.772 3.251 0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.702 3.999 1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.470 1.890 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.492 1.187 1.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.839 2.104 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.202 3.486 2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.826 3.322 3.782 1.00 0.00 H new ATOM 319 N GLN A 20 -9.325 5.043 -1.426 1.00 0.00 N ATOM 320 CA GLN A 20 -8.009 5.731 -1.585 1.00 0.00 C ATOM 321 C GLN A 20 -8.202 7.245 -1.726 1.00 0.00 C ATOM 322 O GLN A 20 -7.588 8.024 -1.024 1.00 0.00 O ATOM 323 CB GLN A 20 -7.312 5.189 -2.836 1.00 0.00 C ATOM 324 CG GLN A 20 -7.588 3.689 -2.978 1.00 0.00 C ATOM 325 CD GLN A 20 -7.329 2.983 -1.644 1.00 0.00 C ATOM 326 OE1 GLN A 20 -6.503 3.414 -0.867 1.00 0.00 O ATOM 327 NE2 GLN A 20 -8.008 1.910 -1.346 1.00 0.00 N ATOM 0 H GLN A 20 -9.567 4.396 -2.177 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.401 5.540 -0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.668 5.718 -3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.238 5.365 -2.770 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.620 3.528 -3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.950 3.265 -3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.702 1.548 -2.000 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.845 1.433 -0.459 1.00 0.00 H new ATOM 336 N ILE A 21 -9.027 7.668 -2.641 1.00 0.00 N ATOM 337 CA ILE A 21 -9.235 9.132 -2.842 1.00 0.00 C ATOM 338 C ILE A 21 -9.446 9.841 -1.501 1.00 0.00 C ATOM 339 O ILE A 21 -9.000 10.947 -1.315 1.00 0.00 O ATOM 340 CB ILE A 21 -10.449 9.366 -3.748 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.105 8.940 -5.186 1.00 0.00 C ATOM 342 CG2 ILE A 21 -10.834 10.850 -3.728 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.248 10.014 -5.879 1.00 0.00 C ATOM 0 H ILE A 21 -9.568 7.064 -3.260 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.344 9.544 -3.315 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.289 8.774 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.568 7.992 -5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -11.022 8.778 -5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.697 11.011 -4.374 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.082 11.148 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.996 11.448 -4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.015 9.694 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.799 10.954 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.322 10.156 -5.322 1.00 0.00 H new ATOM 355 N LYS A 22 -10.140 9.240 -0.577 1.00 0.00 N ATOM 356 CA LYS A 22 -10.375 9.928 0.728 1.00 0.00 C ATOM 357 C LYS A 22 -9.053 10.115 1.480 1.00 0.00 C ATOM 358 O LYS A 22 -8.460 11.182 1.458 1.00 0.00 O ATOM 359 CB LYS A 22 -11.335 9.093 1.578 1.00 0.00 C ATOM 360 CG LYS A 22 -11.792 9.916 2.786 1.00 0.00 C ATOM 361 CD LYS A 22 -12.852 9.137 3.579 1.00 0.00 C ATOM 362 CE LYS A 22 -12.170 8.219 4.597 1.00 0.00 C ATOM 363 NZ LYS A 22 -11.706 9.027 5.760 1.00 0.00 N ATOM 0 H LYS A 22 -10.552 8.311 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.810 10.909 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.197 8.791 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.842 8.180 1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.939 10.142 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.202 10.869 2.453 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.519 9.831 4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.467 8.547 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.864 7.448 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.325 7.709 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.510 8.397 6.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.839 9.540 5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.445 9.708 6.026 1.00 0.00 H new ATOM 377 N GLU A 23 -8.585 9.092 2.146 1.00 0.00 N ATOM 378 CA GLU A 23 -7.305 9.208 2.900 1.00 0.00 C ATOM 379 C GLU A 23 -6.293 9.977 2.051 1.00 0.00 C ATOM 380 O GLU A 23 -5.532 10.786 2.543 1.00 0.00 O ATOM 381 CB GLU A 23 -6.764 7.809 3.204 1.00 0.00 C ATOM 382 CG GLU A 23 -5.585 7.917 4.170 1.00 0.00 C ATOM 383 CD GLU A 23 -6.093 8.339 5.549 1.00 0.00 C ATOM 384 OE1 GLU A 23 -7.297 8.321 5.746 1.00 0.00 O ATOM 385 OE2 GLU A 23 -5.270 8.671 6.386 1.00 0.00 O ATOM 0 H GLU A 23 -9.037 8.179 2.199 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.475 9.739 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.549 7.191 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.449 7.321 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.068 6.960 4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.862 8.644 3.799 1.00 0.00 H new ATOM 392 N HIS A 24 -6.292 9.730 0.772 1.00 0.00 N ATOM 393 CA HIS A 24 -5.348 10.441 -0.131 1.00 0.00 C ATOM 394 C HIS A 24 -5.921 11.823 -0.446 1.00 0.00 C ATOM 395 O HIS A 24 -5.208 12.800 -0.528 1.00 0.00 O ATOM 396 CB HIS A 24 -5.176 9.633 -1.418 1.00 0.00 C ATOM 397 CG HIS A 24 -4.834 8.208 -1.066 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.188 7.640 0.151 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.168 7.224 -1.757 1.00 0.00 C ATOM 400 CE1 HIS A 24 -4.739 6.372 0.154 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.112 6.071 -0.983 1.00 0.00 N ATOM 0 H HIS A 24 -6.909 9.061 0.311 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.375 10.552 0.347 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.093 9.665 -2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.387 10.068 -2.032 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.752 7.330 -2.748 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.870 5.683 0.976 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.681 5.181 -1.233 1.00 0.00 H new ATOM 410 N GLY A 25 -7.213 11.900 -0.617 1.00 0.00 N ATOM 411 CA GLY A 25 -7.879 13.203 -0.919 1.00 0.00 C ATOM 412 C GLY A 25 -7.247 14.317 -0.092 1.00 0.00 C ATOM 413 O GLY A 25 -7.103 15.432 -0.550 1.00 0.00 O ATOM 0 H GLY A 25 -7.847 11.103 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.786 13.430 -1.981 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.944 13.136 -0.699 1.00 0.00 H new ATOM 417 N LEU A 26 -6.880 14.029 1.130 1.00 0.00 N ATOM 418 CA LEU A 26 -6.266 15.077 1.995 1.00 0.00 C ATOM 419 C LEU A 26 -5.365 15.969 1.129 1.00 0.00 C ATOM 420 O LEU A 26 -5.341 17.174 1.276 1.00 0.00 O ATOM 421 CB LEU A 26 -5.453 14.385 3.105 1.00 0.00 C ATOM 422 CG LEU A 26 -4.268 15.252 3.544 1.00 0.00 C ATOM 423 CD1 LEU A 26 -4.775 16.543 4.190 1.00 0.00 C ATOM 424 CD2 LEU A 26 -3.429 14.476 4.562 1.00 0.00 C ATOM 0 H LEU A 26 -6.980 13.112 1.565 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.032 15.700 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.098 14.185 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.090 13.422 2.747 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.663 15.501 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.926 17.153 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.378 17.098 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.383 16.299 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.584 15.087 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.044 14.230 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.061 13.557 4.105 1.00 0.00 H new ATOM 436 N LYS A 27 -4.649 15.384 0.206 1.00 0.00 N ATOM 437 CA LYS A 27 -3.777 16.192 -0.694 1.00 0.00 C ATOM 438 C LYS A 27 -4.509 16.378 -2.026 1.00 0.00 C ATOM 439 O LYS A 27 -5.435 15.655 -2.334 1.00 0.00 O ATOM 440 CB LYS A 27 -2.456 15.450 -0.926 1.00 0.00 C ATOM 441 CG LYS A 27 -1.387 16.430 -1.424 1.00 0.00 C ATOM 442 CD LYS A 27 -0.885 17.301 -0.261 1.00 0.00 C ATOM 443 CE LYS A 27 0.531 17.797 -0.564 1.00 0.00 C ATOM 444 NZ LYS A 27 1.508 16.703 -0.297 1.00 0.00 N ATOM 0 H LYS A 27 -4.631 14.378 0.037 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.561 17.162 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.126 14.978 -0.000 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.600 14.653 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.554 15.880 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.800 17.062 -2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.554 18.149 -0.113 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.889 16.726 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.601 18.116 -1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.763 18.665 0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.472 17.093 -0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.301 16.270 0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.434 15.982 -1.043 1.00 0.00 H new ATOM 458 N LYS A 28 -4.113 17.338 -2.817 1.00 0.00 N ATOM 459 CA LYS A 28 -4.806 17.554 -4.122 1.00 0.00 C ATOM 460 C LYS A 28 -5.012 16.208 -4.823 1.00 0.00 C ATOM 461 O LYS A 28 -4.273 15.269 -4.604 1.00 0.00 O ATOM 462 CB LYS A 28 -3.956 18.470 -5.008 1.00 0.00 C ATOM 463 CG LYS A 28 -2.679 17.742 -5.434 1.00 0.00 C ATOM 464 CD LYS A 28 -1.711 18.741 -6.076 1.00 0.00 C ATOM 465 CE LYS A 28 -0.690 17.990 -6.935 1.00 0.00 C ATOM 466 NZ LYS A 28 -0.094 16.878 -6.141 1.00 0.00 N ATOM 0 H LYS A 28 -3.345 17.979 -2.619 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.775 18.020 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.525 18.770 -5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.702 19.381 -4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.211 17.270 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.919 16.947 -6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.262 19.454 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.199 19.314 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.172 17.595 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.092 18.672 -7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.816 16.601 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.058 17.193 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.740 16.063 -6.146 1.00 0.00 H new ATOM 480 N SER A 29 -6.010 16.108 -5.664 1.00 0.00 N ATOM 481 CA SER A 29 -6.264 14.823 -6.382 1.00 0.00 C ATOM 482 C SER A 29 -4.931 14.226 -6.832 1.00 0.00 C ATOM 483 O SER A 29 -4.398 14.578 -7.865 1.00 0.00 O ATOM 484 CB SER A 29 -7.143 15.089 -7.605 1.00 0.00 C ATOM 485 OG SER A 29 -7.073 13.974 -8.484 1.00 0.00 O ATOM 0 H SER A 29 -6.661 16.862 -5.884 1.00 0.00 H new ATOM 0 HA SER A 29 -6.771 14.125 -5.716 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.174 15.259 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.810 15.992 -8.117 1.00 0.00 H new ATOM 0 HG SER A 29 -7.636 14.140 -9.269 1.00 0.00 H new ATOM 491 N ASN A 30 -4.380 13.337 -6.047 1.00 0.00 N ATOM 492 CA ASN A 30 -3.067 12.725 -6.405 1.00 0.00 C ATOM 493 C ASN A 30 -3.211 11.211 -6.567 1.00 0.00 C ATOM 494 O ASN A 30 -2.395 10.450 -6.085 1.00 0.00 O ATOM 495 CB ASN A 30 -2.063 13.026 -5.287 1.00 0.00 C ATOM 496 CG ASN A 30 -0.638 12.964 -5.839 1.00 0.00 C ATOM 497 OD1 ASN A 30 0.262 13.567 -5.292 1.00 0.00 O ATOM 498 ND2 ASN A 30 -0.396 12.257 -6.907 1.00 0.00 N ATOM 0 H ASN A 30 -4.785 13.008 -5.171 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.718 13.144 -7.349 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.257 14.013 -4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.180 12.306 -4.477 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.551 12.210 -7.284 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.153 11.751 -7.366 1.00 0.00 H new ATOM 505 N LEU A 31 -4.231 10.760 -7.244 1.00 0.00 N ATOM 506 CA LEU A 31 -4.394 9.292 -7.430 1.00 0.00 C ATOM 507 C LEU A 31 -5.334 9.007 -8.603 1.00 0.00 C ATOM 508 O LEU A 31 -6.411 9.561 -8.700 1.00 0.00 O ATOM 509 CB LEU A 31 -4.970 8.675 -6.155 1.00 0.00 C ATOM 510 CG LEU A 31 -4.833 7.150 -6.220 1.00 0.00 C ATOM 511 CD1 LEU A 31 -3.410 6.731 -5.835 1.00 0.00 C ATOM 512 CD2 LEU A 31 -5.831 6.509 -5.253 1.00 0.00 C ATOM 0 H LEU A 31 -4.953 11.339 -7.673 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.419 8.854 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.445 9.061 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.018 8.953 -6.045 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.039 6.817 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.324 5.646 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.698 7.183 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.194 7.066 -4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.735 5.424 -5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.625 6.850 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.845 6.796 -5.533 1.00 0.00 H new ATOM 524 N GLN A 32 -4.936 8.133 -9.489 1.00 0.00 N ATOM 525 CA GLN A 32 -5.801 7.790 -10.655 1.00 0.00 C ATOM 526 C GLN A 32 -5.675 6.289 -10.939 1.00 0.00 C ATOM 527 O GLN A 32 -4.955 5.870 -11.824 1.00 0.00 O ATOM 528 CB GLN A 32 -5.354 8.600 -11.880 1.00 0.00 C ATOM 529 CG GLN A 32 -6.296 9.790 -12.089 1.00 0.00 C ATOM 530 CD GLN A 32 -7.639 9.290 -12.628 1.00 0.00 C ATOM 531 OE1 GLN A 32 -7.738 8.894 -13.772 1.00 0.00 O ATOM 532 NE2 GLN A 32 -8.684 9.292 -11.846 1.00 0.00 N ATOM 0 H GLN A 32 -4.044 7.639 -9.455 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.841 8.032 -10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.332 8.954 -11.740 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.353 7.965 -12.766 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.444 10.320 -11.148 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.853 10.500 -12.788 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.601 9.624 -10.885 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.583 8.961 -12.196 1.00 0.00 H new ATOM 541 N LEU A 33 -6.367 5.475 -10.185 1.00 0.00 N ATOM 542 CA LEU A 33 -6.290 4.002 -10.396 1.00 0.00 C ATOM 543 C LEU A 33 -7.362 3.574 -11.401 1.00 0.00 C ATOM 544 O LEU A 33 -8.519 3.922 -11.277 1.00 0.00 O ATOM 545 CB LEU A 33 -6.528 3.283 -9.057 1.00 0.00 C ATOM 546 CG LEU A 33 -5.191 2.873 -8.430 1.00 0.00 C ATOM 547 CD1 LEU A 33 -4.415 4.121 -8.007 1.00 0.00 C ATOM 548 CD2 LEU A 33 -5.454 2.002 -7.199 1.00 0.00 C ATOM 0 H LEU A 33 -6.985 5.770 -9.429 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.305 3.740 -10.782 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.071 3.938 -8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.149 2.401 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.607 2.313 -9.161 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.465 3.825 -7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.227 4.746 -8.880 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.999 4.682 -7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.504 1.709 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.039 2.566 -6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.006 1.110 -7.496 1.00 0.00 H new ATOM 560 N ARG A 34 -6.984 2.812 -12.392 1.00 0.00 N ATOM 561 CA ARG A 34 -7.975 2.347 -13.406 1.00 0.00 C ATOM 562 C ARG A 34 -8.396 0.912 -13.069 1.00 0.00 C ATOM 563 O ARG A 34 -7.638 0.149 -12.504 1.00 0.00 O ATOM 564 CB ARG A 34 -7.330 2.389 -14.804 1.00 0.00 C ATOM 565 CG ARG A 34 -8.187 3.231 -15.757 1.00 0.00 C ATOM 566 CD ARG A 34 -9.459 2.462 -16.119 1.00 0.00 C ATOM 567 NE ARG A 34 -10.243 3.242 -17.119 1.00 0.00 N ATOM 568 CZ ARG A 34 -11.017 4.217 -16.726 1.00 0.00 C ATOM 569 NH1 ARG A 34 -11.105 4.511 -15.458 1.00 0.00 N ATOM 570 NH2 ARG A 34 -11.704 4.899 -17.603 1.00 0.00 N ATOM 0 H ARG A 34 -6.028 2.490 -12.544 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.852 2.995 -13.397 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.327 2.810 -14.737 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.226 1.377 -15.195 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.445 4.180 -15.287 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.622 3.465 -16.659 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.202 1.484 -16.525 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.059 2.289 -15.226 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.175 3.014 -18.111 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.569 3.979 -14.773 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.710 5.273 -15.152 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.636 4.670 -18.595 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.309 5.661 -17.296 1.00 0.00 H new ATOM 584 N ASP A 35 -9.600 0.540 -13.408 1.00 0.00 N ATOM 585 CA ASP A 35 -10.068 -0.843 -13.102 1.00 0.00 C ATOM 586 C ASP A 35 -9.007 -1.857 -13.535 1.00 0.00 C ATOM 587 O ASP A 35 -8.579 -2.689 -12.761 1.00 0.00 O ATOM 588 CB ASP A 35 -11.372 -1.117 -13.856 1.00 0.00 C ATOM 589 CG ASP A 35 -12.487 -0.239 -13.286 1.00 0.00 C ATOM 590 OD1 ASP A 35 -12.201 0.541 -12.392 1.00 0.00 O ATOM 591 OD2 ASP A 35 -13.607 -0.361 -13.753 1.00 0.00 O ATOM 0 H ASP A 35 -10.280 1.133 -13.883 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.238 -0.936 -12.029 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.240 -0.911 -14.918 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.642 -2.169 -13.766 1.00 0.00 H new ATOM 596 N GLN A 36 -8.581 -1.797 -14.767 1.00 0.00 N ATOM 597 CA GLN A 36 -7.551 -2.761 -15.248 1.00 0.00 C ATOM 598 C GLN A 36 -6.355 -2.756 -14.292 1.00 0.00 C ATOM 599 O GLN A 36 -5.813 -3.790 -13.956 1.00 0.00 O ATOM 600 CB GLN A 36 -7.087 -2.352 -16.649 1.00 0.00 C ATOM 601 CG GLN A 36 -6.388 -3.534 -17.324 1.00 0.00 C ATOM 602 CD GLN A 36 -7.433 -4.558 -17.771 1.00 0.00 C ATOM 603 OE1 GLN A 36 -8.496 -4.198 -18.232 1.00 0.00 O ATOM 604 NE2 GLN A 36 -7.171 -5.832 -17.652 1.00 0.00 N ATOM 0 H GLN A 36 -8.902 -1.122 -15.461 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.980 -3.762 -15.283 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.940 -2.032 -17.247 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.407 -1.503 -16.584 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.812 -3.188 -18.182 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.683 -3.996 -16.633 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.277 -6.135 -17.264 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.860 -6.524 -17.947 1.00 0.00 H new ATOM 613 N ALA A 37 -5.938 -1.601 -13.855 1.00 0.00 N ATOM 614 CA ALA A 37 -4.775 -1.530 -12.925 1.00 0.00 C ATOM 615 C ALA A 37 -5.028 -2.430 -11.713 1.00 0.00 C ATOM 616 O ALA A 37 -4.410 -3.465 -11.556 1.00 0.00 O ATOM 617 CB ALA A 37 -4.585 -0.085 -12.456 1.00 0.00 C ATOM 0 H ALA A 37 -6.352 -0.702 -14.101 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.877 -1.867 -13.443 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.735 -0.032 -11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.401 0.556 -13.318 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.484 0.251 -11.940 1.00 0.00 H new ATOM 623 N ILE A 38 -5.928 -2.040 -10.851 1.00 0.00 N ATOM 624 CA ILE A 38 -6.217 -2.870 -9.647 1.00 0.00 C ATOM 625 C ILE A 38 -6.352 -4.338 -10.056 1.00 0.00 C ATOM 626 O ILE A 38 -5.818 -5.219 -9.413 1.00 0.00 O ATOM 627 CB ILE A 38 -7.515 -2.383 -8.994 1.00 0.00 C ATOM 628 CG1 ILE A 38 -7.246 -1.042 -8.304 1.00 0.00 C ATOM 629 CG2 ILE A 38 -7.989 -3.405 -7.956 1.00 0.00 C ATOM 630 CD1 ILE A 38 -8.557 -0.430 -7.805 1.00 0.00 C ATOM 0 H ILE A 38 -6.475 -1.183 -10.929 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.400 -2.776 -8.932 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.287 -2.264 -9.754 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.562 -1.186 -7.467 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.759 -0.358 -8.999 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.912 -3.054 -7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.169 -4.363 -8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.224 -3.527 -7.189 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.351 0.523 -7.317 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.227 -0.268 -8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.028 -1.108 -7.093 1.00 0.00 H new ATOM 642 N LEU A 39 -7.052 -4.610 -11.125 1.00 0.00 N ATOM 643 CA LEU A 39 -7.203 -6.024 -11.568 1.00 0.00 C ATOM 644 C LEU A 39 -5.829 -6.700 -11.551 1.00 0.00 C ATOM 645 O LEU A 39 -5.645 -7.743 -10.958 1.00 0.00 O ATOM 646 CB LEU A 39 -7.784 -6.056 -12.993 1.00 0.00 C ATOM 647 CG LEU A 39 -9.102 -6.837 -13.012 1.00 0.00 C ATOM 648 CD1 LEU A 39 -9.827 -6.577 -14.333 1.00 0.00 C ATOM 649 CD2 LEU A 39 -8.812 -8.335 -12.879 1.00 0.00 C ATOM 0 H LEU A 39 -7.523 -3.917 -11.707 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.879 -6.554 -10.897 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.951 -5.039 -13.348 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.070 -6.518 -13.674 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.728 -6.513 -12.181 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.765 -7.132 -14.349 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.034 -5.511 -14.431 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.199 -6.902 -15.163 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.750 -8.890 -12.893 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.186 -8.660 -13.710 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.293 -8.523 -11.939 1.00 0.00 H new ATOM 661 N ASP A 40 -4.866 -6.103 -12.192 1.00 0.00 N ATOM 662 CA ASP A 40 -3.500 -6.699 -12.213 1.00 0.00 C ATOM 663 C ASP A 40 -2.970 -6.807 -10.781 1.00 0.00 C ATOM 664 O ASP A 40 -2.338 -7.777 -10.416 1.00 0.00 O ATOM 665 CB ASP A 40 -2.568 -5.807 -13.036 1.00 0.00 C ATOM 666 CG ASP A 40 -3.059 -5.754 -14.484 1.00 0.00 C ATOM 667 OD1 ASP A 40 -4.190 -5.347 -14.691 1.00 0.00 O ATOM 668 OD2 ASP A 40 -2.295 -6.123 -15.361 1.00 0.00 O ATOM 0 H ASP A 40 -4.964 -5.226 -12.704 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.542 -7.692 -12.661 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.541 -4.803 -12.613 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.550 -6.195 -13.000 1.00 0.00 H new ATOM 673 N ILE A 41 -3.220 -5.817 -9.968 1.00 0.00 N ATOM 674 CA ILE A 41 -2.726 -5.867 -8.562 1.00 0.00 C ATOM 675 C ILE A 41 -3.293 -7.105 -7.860 1.00 0.00 C ATOM 676 O ILE A 41 -2.587 -8.059 -7.603 1.00 0.00 O ATOM 677 CB ILE A 41 -3.166 -4.603 -7.819 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.705 -3.373 -8.608 1.00 0.00 C ATOM 679 CG2 ILE A 41 -2.534 -4.583 -6.424 1.00 0.00 C ATOM 680 CD1 ILE A 41 -2.982 -2.102 -7.800 1.00 0.00 C ATOM 0 H ILE A 41 -3.744 -4.977 -10.216 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.637 -5.923 -8.563 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.252 -4.592 -7.722 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.640 -3.450 -8.828 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.226 -3.327 -9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.848 -3.683 -5.895 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.856 -5.462 -5.866 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.448 -4.590 -6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.652 -1.231 -8.367 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.051 -2.022 -7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.441 -2.146 -6.855 1.00 0.00 H new ATOM 692 N ILE A 42 -4.561 -7.100 -7.544 1.00 0.00 N ATOM 693 CA ILE A 42 -5.159 -8.281 -6.859 1.00 0.00 C ATOM 694 C ILE A 42 -4.779 -9.554 -7.622 1.00 0.00 C ATOM 695 O ILE A 42 -4.427 -10.558 -7.038 1.00 0.00 O ATOM 696 CB ILE A 42 -6.689 -8.137 -6.818 1.00 0.00 C ATOM 697 CG1 ILE A 42 -7.148 -7.201 -7.941 1.00 0.00 C ATOM 698 CG2 ILE A 42 -7.117 -7.555 -5.468 1.00 0.00 C ATOM 699 CD1 ILE A 42 -8.641 -7.408 -8.203 1.00 0.00 C ATOM 0 H ILE A 42 -5.206 -6.332 -7.730 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.780 -8.341 -5.839 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.144 -9.118 -6.952 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.957 -6.164 -7.665 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.578 -7.399 -8.849 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.202 -7.454 -5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.795 -8.220 -4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.659 -6.575 -5.332 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.966 -6.742 -9.002 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.819 -8.442 -8.498 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.204 -7.188 -7.296 1.00 0.00 H new ATOM 711 N ARG A 43 -4.843 -9.516 -8.926 1.00 0.00 N ATOM 712 CA ARG A 43 -4.481 -10.721 -9.725 1.00 0.00 C ATOM 713 C ARG A 43 -3.077 -11.185 -9.331 1.00 0.00 C ATOM 714 O ARG A 43 -2.808 -12.367 -9.235 1.00 0.00 O ATOM 715 CB ARG A 43 -4.505 -10.373 -11.216 1.00 0.00 C ATOM 716 CG ARG A 43 -4.245 -11.632 -12.053 1.00 0.00 C ATOM 717 CD ARG A 43 -5.467 -12.561 -12.010 1.00 0.00 C ATOM 718 NE ARG A 43 -5.871 -12.903 -13.404 1.00 0.00 N ATOM 719 CZ ARG A 43 -6.991 -13.538 -13.622 1.00 0.00 C ATOM 720 NH1 ARG A 43 -7.756 -13.875 -12.620 1.00 0.00 N ATOM 721 NH2 ARG A 43 -7.345 -13.834 -14.842 1.00 0.00 N ATOM 0 H ARG A 43 -5.130 -8.703 -9.471 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.198 -11.518 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.470 -9.943 -11.482 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.749 -9.619 -11.434 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.027 -11.353 -13.084 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.368 -12.155 -11.673 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.230 -13.468 -11.454 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.291 -12.074 -11.489 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.273 -12.641 -14.187 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.479 -13.642 -11.666 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.631 -14.371 -12.791 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.747 -13.569 -15.625 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.220 -14.330 -15.013 1.00 0.00 H new ATOM 735 N TYR A 44 -2.180 -10.266 -9.108 1.00 0.00 N ATOM 736 CA TYR A 44 -0.795 -10.654 -8.726 1.00 0.00 C ATOM 737 C TYR A 44 -0.810 -11.232 -7.312 1.00 0.00 C ATOM 738 O TYR A 44 -0.123 -12.187 -7.010 1.00 0.00 O ATOM 739 CB TYR A 44 0.109 -9.417 -8.767 1.00 0.00 C ATOM 740 CG TYR A 44 0.613 -9.189 -10.175 1.00 0.00 C ATOM 741 CD1 TYR A 44 -0.230 -9.404 -11.273 1.00 0.00 C ATOM 742 CD2 TYR A 44 1.929 -8.758 -10.379 1.00 0.00 C ATOM 743 CE1 TYR A 44 0.244 -9.191 -12.573 1.00 0.00 C ATOM 744 CE2 TYR A 44 2.403 -8.545 -11.678 1.00 0.00 C ATOM 745 CZ TYR A 44 1.561 -8.761 -12.776 1.00 0.00 C ATOM 746 OH TYR A 44 2.028 -8.550 -14.057 1.00 0.00 O ATOM 0 H TYR A 44 -2.347 -9.262 -9.174 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.415 -11.402 -9.422 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.443 -8.542 -8.424 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.951 -9.550 -8.088 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.246 -9.734 -11.117 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.579 -8.590 -9.533 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.406 -9.358 -13.419 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.419 -8.214 -11.834 1.00 0.00 H new ATOM 0 HH TYR A 44 2.961 -8.253 -14.020 1.00 0.00 H new ATOM 756 N TYR A 45 -1.585 -10.652 -6.441 1.00 0.00 N ATOM 757 CA TYR A 45 -1.647 -11.156 -5.040 1.00 0.00 C ATOM 758 C TYR A 45 -2.705 -12.251 -4.923 1.00 0.00 C ATOM 759 O TYR A 45 -2.394 -13.411 -4.733 1.00 0.00 O ATOM 760 CB TYR A 45 -2.011 -10.005 -4.105 1.00 0.00 C ATOM 761 CG TYR A 45 -0.877 -9.015 -4.076 1.00 0.00 C ATOM 762 CD1 TYR A 45 0.294 -9.317 -3.375 1.00 0.00 C ATOM 763 CD2 TYR A 45 -0.996 -7.798 -4.753 1.00 0.00 C ATOM 764 CE1 TYR A 45 1.349 -8.400 -3.352 1.00 0.00 C ATOM 765 CE2 TYR A 45 0.057 -6.880 -4.732 1.00 0.00 C ATOM 766 CZ TYR A 45 1.232 -7.181 -4.030 1.00 0.00 C ATOM 767 OH TYR A 45 2.273 -6.276 -4.006 1.00 0.00 O ATOM 0 H TYR A 45 -2.181 -9.848 -6.638 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.675 -11.566 -4.766 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.925 -9.519 -4.445 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.206 -10.383 -3.101 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.384 -10.258 -2.852 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.903 -7.567 -5.293 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.254 -8.632 -2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.034 -5.940 -5.256 1.00 0.00 H new ATOM 0 HH TYR A 45 2.173 -5.683 -3.232 1.00 0.00 H new ATOM 777 N THR A 46 -3.955 -11.895 -5.021 1.00 0.00 N ATOM 778 CA THR A 46 -5.026 -12.918 -4.898 1.00 0.00 C ATOM 779 C THR A 46 -4.840 -13.667 -3.577 1.00 0.00 C ATOM 780 O THR A 46 -5.503 -14.649 -3.306 1.00 0.00 O ATOM 781 CB THR A 46 -4.934 -13.899 -6.074 1.00 0.00 C ATOM 782 OG1 THR A 46 -4.345 -13.241 -7.188 1.00 0.00 O ATOM 783 CG2 THR A 46 -6.334 -14.385 -6.450 1.00 0.00 C ATOM 0 H THR A 46 -4.280 -10.941 -5.181 1.00 0.00 H new ATOM 0 HA THR A 46 -6.005 -12.440 -4.913 1.00 0.00 H new ATOM 0 HB THR A 46 -4.322 -14.754 -5.787 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.702 -12.331 -7.257 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.265 -15.082 -7.286 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.787 -14.887 -5.595 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.950 -13.533 -6.738 1.00 0.00 H new ATOM 791 N ARG A 47 -3.938 -13.205 -2.753 1.00 0.00 N ATOM 792 CA ARG A 47 -3.699 -13.881 -1.447 1.00 0.00 C ATOM 793 C ARG A 47 -4.902 -13.654 -0.530 1.00 0.00 C ATOM 794 O ARG A 47 -5.319 -12.537 -0.299 1.00 0.00 O ATOM 795 CB ARG A 47 -2.431 -13.308 -0.797 1.00 0.00 C ATOM 796 CG ARG A 47 -2.500 -11.769 -0.749 1.00 0.00 C ATOM 797 CD ARG A 47 -2.776 -11.306 0.685 1.00 0.00 C ATOM 798 NE ARG A 47 -3.200 -9.878 0.674 1.00 0.00 N ATOM 799 CZ ARG A 47 -3.172 -9.180 1.776 1.00 0.00 C ATOM 800 NH1 ARG A 47 -2.774 -9.734 2.889 1.00 0.00 N ATOM 801 NH2 ARG A 47 -3.542 -7.929 1.766 1.00 0.00 N ATOM 0 H ARG A 47 -3.355 -12.387 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.566 -14.951 -1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.321 -13.705 0.212 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.552 -13.622 -1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.562 -11.343 -1.104 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.285 -11.410 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.554 -11.924 1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.881 -11.426 1.296 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.512 -9.446 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.485 -10.712 2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.752 -9.189 3.751 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.853 -7.496 0.896 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.520 -7.384 2.628 1.00 0.00 H new ATOM 815 N GLU A 48 -5.466 -14.709 -0.008 1.00 0.00 N ATOM 816 CA GLU A 48 -6.646 -14.560 0.890 1.00 0.00 C ATOM 817 C GLU A 48 -6.178 -14.183 2.298 1.00 0.00 C ATOM 818 O GLU A 48 -5.151 -14.634 2.762 1.00 0.00 O ATOM 819 CB GLU A 48 -7.414 -15.881 0.947 1.00 0.00 C ATOM 820 CG GLU A 48 -6.537 -16.954 1.596 1.00 0.00 C ATOM 821 CD GLU A 48 -7.131 -18.336 1.318 1.00 0.00 C ATOM 822 OE1 GLU A 48 -8.343 -18.425 1.197 1.00 0.00 O ATOM 823 OE2 GLU A 48 -6.366 -19.282 1.230 1.00 0.00 O ATOM 0 H GLU A 48 -5.160 -15.669 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.296 -13.776 0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.334 -15.755 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.702 -16.190 -0.058 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.522 -16.897 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.472 -16.784 2.671 1.00 0.00 H new ATOM 830 N ALA A 49 -6.930 -13.362 2.978 1.00 0.00 N ATOM 831 CA ALA A 49 -6.541 -12.950 4.357 1.00 0.00 C ATOM 832 C ALA A 49 -7.493 -11.852 4.836 1.00 0.00 C ATOM 833 O ALA A 49 -7.113 -10.959 5.567 1.00 0.00 O ATOM 834 CB ALA A 49 -5.102 -12.422 4.347 1.00 0.00 C ATOM 0 H ALA A 49 -7.801 -12.957 2.636 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.602 -13.805 5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.818 -12.121 5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.429 -13.206 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.034 -11.563 3.679 1.00 0.00 H new ATOM 840 N GLY A 50 -8.730 -11.909 4.425 1.00 0.00 N ATOM 841 CA GLY A 50 -9.709 -10.868 4.849 1.00 0.00 C ATOM 842 C GLY A 50 -9.643 -9.689 3.877 1.00 0.00 C ATOM 843 O GLY A 50 -8.600 -9.375 3.338 1.00 0.00 O ATOM 0 H GLY A 50 -9.106 -12.633 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.716 -11.285 4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.485 -10.533 5.862 1.00 0.00 H new ATOM 847 N VAL A 51 -10.746 -9.034 3.645 1.00 0.00 N ATOM 848 CA VAL A 51 -10.742 -7.880 2.704 1.00 0.00 C ATOM 849 C VAL A 51 -10.009 -6.698 3.343 1.00 0.00 C ATOM 850 O VAL A 51 -9.268 -5.991 2.690 1.00 0.00 O ATOM 851 CB VAL A 51 -12.183 -7.475 2.381 1.00 0.00 C ATOM 852 CG1 VAL A 51 -12.737 -8.387 1.285 1.00 0.00 C ATOM 853 CG2 VAL A 51 -13.044 -7.611 3.639 1.00 0.00 C ATOM 0 H VAL A 51 -11.650 -9.248 4.066 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.232 -8.167 1.784 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.201 -6.441 2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.763 -8.098 1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.124 -8.292 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.719 -9.421 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -14.070 -7.323 3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -13.025 -8.645 3.983 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.651 -6.962 4.421 1.00 0.00 H new ATOM 863 N ARG A 52 -10.209 -6.478 4.614 1.00 0.00 N ATOM 864 CA ARG A 52 -9.520 -5.340 5.287 1.00 0.00 C ATOM 865 C ARG A 52 -8.042 -5.339 4.892 1.00 0.00 C ATOM 866 O ARG A 52 -7.454 -4.302 4.647 1.00 0.00 O ATOM 867 CB ARG A 52 -9.652 -5.489 6.807 1.00 0.00 C ATOM 868 CG ARG A 52 -9.051 -6.830 7.260 1.00 0.00 C ATOM 869 CD ARG A 52 -7.657 -6.603 7.855 1.00 0.00 C ATOM 870 NE ARG A 52 -7.789 -6.026 9.221 1.00 0.00 N ATOM 871 CZ ARG A 52 -6.723 -5.696 9.898 1.00 0.00 C ATOM 872 NH1 ARG A 52 -5.539 -5.876 9.380 1.00 0.00 N ATOM 873 NH2 ARG A 52 -6.841 -5.188 11.095 1.00 0.00 N ATOM 0 H ARG A 52 -10.818 -7.035 5.214 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.977 -4.400 4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.142 -4.666 7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.702 -5.436 7.096 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.700 -7.298 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.988 -7.514 6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.110 -7.545 7.898 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.083 -5.930 7.218 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.714 -5.888 9.628 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.446 -6.275 8.446 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.706 -5.618 9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.766 -5.049 11.501 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.008 -4.930 11.624 1.00 0.00 H new ATOM 887 N SER A 53 -7.436 -6.493 4.821 1.00 0.00 N ATOM 888 CA SER A 53 -6.000 -6.557 4.437 1.00 0.00 C ATOM 889 C SER A 53 -5.852 -6.132 2.978 1.00 0.00 C ATOM 890 O SER A 53 -5.043 -5.290 2.643 1.00 0.00 O ATOM 891 CB SER A 53 -5.486 -7.984 4.608 1.00 0.00 C ATOM 892 OG SER A 53 -5.969 -8.514 5.834 1.00 0.00 O ATOM 0 H SER A 53 -7.875 -7.394 5.013 1.00 0.00 H new ATOM 0 HA SER A 53 -5.421 -5.889 5.075 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.817 -8.604 3.775 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.396 -7.994 4.599 1.00 0.00 H new ATOM 0 HG SER A 53 -6.371 -9.393 5.674 1.00 0.00 H new ATOM 898 N LEU A 54 -6.636 -6.704 2.107 1.00 0.00 N ATOM 899 CA LEU A 54 -6.547 -6.326 0.669 1.00 0.00 C ATOM 900 C LEU A 54 -6.647 -4.806 0.560 1.00 0.00 C ATOM 901 O LEU A 54 -5.888 -4.170 -0.145 1.00 0.00 O ATOM 902 CB LEU A 54 -7.698 -6.980 -0.108 1.00 0.00 C ATOM 903 CG LEU A 54 -7.245 -8.334 -0.672 1.00 0.00 C ATOM 904 CD1 LEU A 54 -8.471 -9.188 -0.995 1.00 0.00 C ATOM 905 CD2 LEU A 54 -6.428 -8.119 -1.953 1.00 0.00 C ATOM 0 H LEU A 54 -7.333 -7.415 2.328 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.601 -6.667 0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.558 -7.119 0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.018 -6.327 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.628 -8.841 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.149 -10.149 -1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.052 -9.349 -0.087 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.087 -8.675 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.110 -9.084 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.042 -7.608 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.551 -7.512 -1.728 1.00 0.00 H new ATOM 917 N GLU A 55 -7.572 -4.217 1.267 1.00 0.00 N ATOM 918 CA GLU A 55 -7.714 -2.737 1.219 1.00 0.00 C ATOM 919 C GLU A 55 -6.413 -2.104 1.712 1.00 0.00 C ATOM 920 O GLU A 55 -5.952 -1.116 1.179 1.00 0.00 O ATOM 921 CB GLU A 55 -8.872 -2.303 2.120 1.00 0.00 C ATOM 922 CG GLU A 55 -10.164 -2.974 1.647 1.00 0.00 C ATOM 923 CD GLU A 55 -11.270 -2.738 2.679 1.00 0.00 C ATOM 924 OE1 GLU A 55 -11.097 -1.865 3.513 1.00 0.00 O ATOM 925 OE2 GLU A 55 -12.269 -3.435 2.616 1.00 0.00 O ATOM 0 H GLU A 55 -8.235 -4.698 1.875 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.919 -2.415 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.665 -2.577 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.981 -1.219 2.093 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.463 -2.570 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.002 -4.043 1.510 1.00 0.00 H new ATOM 932 N ARG A 56 -5.815 -2.673 2.723 1.00 0.00 N ATOM 933 CA ARG A 56 -4.540 -2.107 3.243 1.00 0.00 C ATOM 934 C ARG A 56 -3.474 -2.187 2.145 1.00 0.00 C ATOM 935 O ARG A 56 -2.680 -1.285 1.970 1.00 0.00 O ATOM 936 CB ARG A 56 -4.086 -2.908 4.471 1.00 0.00 C ATOM 937 CG ARG A 56 -3.341 -1.987 5.449 1.00 0.00 C ATOM 938 CD ARG A 56 -4.339 -1.102 6.212 1.00 0.00 C ATOM 939 NE ARG A 56 -4.505 0.193 5.495 1.00 0.00 N ATOM 940 CZ ARG A 56 -5.529 0.959 5.759 1.00 0.00 C ATOM 941 NH1 ARG A 56 -6.407 0.590 6.651 1.00 0.00 N ATOM 942 NH2 ARG A 56 -5.675 2.093 5.130 1.00 0.00 N ATOM 0 H ARG A 56 -6.154 -3.503 3.210 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.687 -1.067 3.533 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.949 -3.355 4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.436 -3.727 4.162 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.762 -2.585 6.153 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.633 -1.362 4.904 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.300 -1.609 6.296 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.982 -0.925 7.227 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.819 0.481 4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.293 -0.297 7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.207 1.188 6.857 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.989 2.381 4.432 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.475 2.691 5.336 1.00 0.00 H new ATOM 956 N GLN A 57 -3.452 -3.264 1.407 1.00 0.00 N ATOM 957 CA GLN A 57 -2.440 -3.402 0.322 1.00 0.00 C ATOM 958 C GLN A 57 -2.662 -2.312 -0.729 1.00 0.00 C ATOM 959 O GLN A 57 -1.754 -1.586 -1.083 1.00 0.00 O ATOM 960 CB GLN A 57 -2.579 -4.781 -0.333 1.00 0.00 C ATOM 961 CG GLN A 57 -1.315 -5.100 -1.140 1.00 0.00 C ATOM 962 CD GLN A 57 -0.230 -5.641 -0.206 1.00 0.00 C ATOM 963 OE1 GLN A 57 0.161 -4.983 0.738 1.00 0.00 O ATOM 964 NE2 GLN A 57 0.277 -6.822 -0.432 1.00 0.00 N ATOM 0 H GLN A 57 -4.090 -4.053 1.509 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.440 -3.299 0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.736 -5.543 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.452 -4.798 -0.985 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.541 -5.834 -1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.959 -4.203 -1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.051 -7.375 -1.224 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.001 -7.192 0.184 1.00 0.00 H new ATOM 973 N LEU A 58 -3.862 -2.188 -1.231 1.00 0.00 N ATOM 974 CA LEU A 58 -4.132 -1.142 -2.257 1.00 0.00 C ATOM 975 C LEU A 58 -3.866 0.230 -1.644 1.00 0.00 C ATOM 976 O LEU A 58 -3.303 1.105 -2.268 1.00 0.00 O ATOM 977 CB LEU A 58 -5.591 -1.231 -2.716 1.00 0.00 C ATOM 978 CG LEU A 58 -5.915 -2.676 -3.120 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.424 -2.916 -3.017 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.461 -2.925 -4.563 1.00 0.00 C ATOM 0 H LEU A 58 -4.664 -2.764 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.482 -1.293 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.256 -0.909 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.760 -0.560 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.391 -3.358 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.650 -3.943 -3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.750 -2.747 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.948 -2.229 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.693 -3.952 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.981 -2.239 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.386 -2.762 -4.640 1.00 0.00 H new ATOM 992 N ALA A 59 -4.244 0.419 -0.414 1.00 0.00 N ATOM 993 CA ALA A 59 -3.981 1.725 0.240 1.00 0.00 C ATOM 994 C ALA A 59 -2.470 1.937 0.270 1.00 0.00 C ATOM 995 O ALA A 59 -1.977 3.034 0.100 1.00 0.00 O ATOM 996 CB ALA A 59 -4.530 1.706 1.668 1.00 0.00 C ATOM 0 H ALA A 59 -4.722 -0.272 0.164 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.467 2.532 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.335 2.666 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.605 1.525 1.642 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.042 0.913 2.235 1.00 0.00 H new ATOM 1002 N ALA A 60 -1.736 0.881 0.493 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.251 0.989 0.549 1.00 0.00 C ATOM 1004 C ALA A 60 0.301 1.470 -0.797 1.00 0.00 C ATOM 1005 O ALA A 60 0.934 2.501 -0.878 1.00 0.00 O ATOM 1006 CB ALA A 60 0.343 -0.383 0.878 1.00 0.00 C ATOM 0 H ALA A 60 -2.105 -0.059 0.640 1.00 0.00 H new ATOM 0 HA ALA A 60 0.022 1.709 1.320 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.430 -0.308 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.035 -0.721 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.058 -1.098 0.106 1.00 0.00 H new ATOM 1012 N ILE A 61 0.083 0.730 -1.852 1.00 0.00 N ATOM 1013 CA ILE A 61 0.618 1.158 -3.179 1.00 0.00 C ATOM 1014 C ILE A 61 0.043 2.528 -3.554 1.00 0.00 C ATOM 1015 O ILE A 61 0.739 3.394 -4.048 1.00 0.00 O ATOM 1016 CB ILE A 61 0.239 0.125 -4.250 1.00 0.00 C ATOM 1017 CG1 ILE A 61 1.134 0.318 -5.483 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.230 0.303 -4.649 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.478 -0.317 -6.712 1.00 0.00 C ATOM 0 H ILE A 61 -0.439 -0.147 -1.854 1.00 0.00 H new ATOM 0 HA ILE A 61 1.704 1.230 -3.120 1.00 0.00 H new ATOM 0 HB ILE A 61 0.380 -0.879 -3.849 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.301 1.381 -5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.110 -0.134 -5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.492 -0.433 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.864 0.163 -3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.380 1.306 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.120 -0.175 -7.581 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.334 -1.383 -6.537 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.488 0.155 -6.893 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.227 2.726 -3.329 1.00 0.00 N ATOM 1032 CA CYS A 62 -1.856 4.030 -3.678 1.00 0.00 C ATOM 1033 C CYS A 62 -1.075 5.181 -3.039 1.00 0.00 C ATOM 1034 O CYS A 62 -0.429 5.960 -3.715 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.298 4.048 -3.168 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.307 2.935 -4.176 1.00 0.00 S ATOM 0 H CYS A 62 -1.858 2.038 -2.917 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.845 4.153 -4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.330 3.739 -2.123 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.699 5.061 -3.213 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.177 1.717 -3.740 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.132 5.306 -1.742 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.399 6.419 -1.079 1.00 0.00 C ATOM 1044 C ARG A 63 1.090 6.317 -1.395 1.00 0.00 C ATOM 1045 O ARG A 63 1.723 7.300 -1.720 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.608 6.353 0.428 1.00 0.00 C ATOM 1047 CG ARG A 63 0.111 5.128 0.999 1.00 0.00 C ATOM 1048 CD ARG A 63 -0.443 4.809 2.390 1.00 0.00 C ATOM 1049 NE ARG A 63 0.171 3.549 2.894 1.00 0.00 N ATOM 1050 CZ ARG A 63 1.427 3.531 3.247 1.00 0.00 C ATOM 1051 NH1 ARG A 63 2.145 4.617 3.159 1.00 0.00 N ATOM 1052 NH2 ARG A 63 1.965 2.426 3.686 1.00 0.00 N ATOM 0 H ARG A 63 -1.651 4.690 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.782 7.369 -1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.228 7.260 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.673 6.299 0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.025 4.273 0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.183 5.318 1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.229 5.629 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.527 4.705 2.346 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.390 2.700 2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.724 5.480 2.814 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.127 4.603 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.404 1.577 3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.947 2.411 3.962 1.00 0.00 H new ATOM 1066 N LYS A 64 1.658 5.141 -1.318 1.00 0.00 N ATOM 1067 CA LYS A 64 3.107 5.004 -1.640 1.00 0.00 C ATOM 1068 C LYS A 64 3.384 5.844 -2.879 1.00 0.00 C ATOM 1069 O LYS A 64 4.390 6.516 -2.988 1.00 0.00 O ATOM 1070 CB LYS A 64 3.444 3.538 -1.922 1.00 0.00 C ATOM 1071 CG LYS A 64 4.931 3.411 -2.259 1.00 0.00 C ATOM 1072 CD LYS A 64 5.349 1.941 -2.179 1.00 0.00 C ATOM 1073 CE LYS A 64 6.855 1.825 -2.420 1.00 0.00 C ATOM 1074 NZ LYS A 64 7.293 0.422 -2.170 1.00 0.00 N ATOM 0 H LYS A 64 1.185 4.278 -1.049 1.00 0.00 H new ATOM 0 HA LYS A 64 3.718 5.341 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.204 2.925 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.840 3.168 -2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.123 3.801 -3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.524 4.007 -1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.094 1.532 -1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.805 1.356 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.093 2.115 -3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.393 2.508 -1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.317 0.344 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.079 0.162 -1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.789 -0.219 -2.815 1.00 0.00 H new ATOM 1088 N ALA A 65 2.465 5.826 -3.803 1.00 0.00 N ATOM 1089 CA ALA A 65 2.625 6.637 -5.035 1.00 0.00 C ATOM 1090 C ALA A 65 2.374 8.107 -4.687 1.00 0.00 C ATOM 1091 O ALA A 65 3.039 8.993 -5.187 1.00 0.00 O ATOM 1092 CB ALA A 65 1.613 6.178 -6.086 1.00 0.00 C ATOM 0 H ALA A 65 1.605 5.280 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 65 3.632 6.515 -5.435 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.732 6.775 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.783 5.127 -6.320 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.602 6.305 -5.698 1.00 0.00 H new ATOM 1098 N ALA A 66 1.418 8.377 -3.832 1.00 0.00 N ATOM 1099 CA ALA A 66 1.135 9.794 -3.460 1.00 0.00 C ATOM 1100 C ALA A 66 2.390 10.425 -2.849 1.00 0.00 C ATOM 1101 O ALA A 66 2.714 11.565 -3.114 1.00 0.00 O ATOM 1102 CB ALA A 66 -0.004 9.839 -2.441 1.00 0.00 C ATOM 0 H ALA A 66 0.826 7.681 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 66 0.846 10.350 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.209 10.875 -2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.899 9.393 -2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.283 9.281 -1.550 1.00 0.00 H new ATOM 1108 N LYS A 67 3.096 9.693 -2.031 1.00 0.00 N ATOM 1109 CA LYS A 67 4.328 10.249 -1.402 1.00 0.00 C ATOM 1110 C LYS A 67 5.439 10.349 -2.448 1.00 0.00 C ATOM 1111 O LYS A 67 6.200 11.296 -2.472 1.00 0.00 O ATOM 1112 CB LYS A 67 4.779 9.328 -0.266 1.00 0.00 C ATOM 1113 CG LYS A 67 6.027 9.913 0.402 1.00 0.00 C ATOM 1114 CD LYS A 67 6.324 9.161 1.705 1.00 0.00 C ATOM 1115 CE LYS A 67 7.016 7.831 1.391 1.00 0.00 C ATOM 1116 NZ LYS A 67 8.256 8.088 0.605 1.00 0.00 N ATOM 0 H LYS A 67 2.873 8.732 -1.771 1.00 0.00 H new ATOM 0 HA LYS A 67 4.115 11.242 -1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.979 9.218 0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.994 8.333 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.880 9.839 -0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.876 10.972 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.959 9.769 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.398 8.980 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.261 7.309 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.344 7.183 0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.939 7.322 0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.023 8.128 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.673 8.994 0.900 1.00 0.00 H new ATOM 1130 N ALA A 68 5.538 9.378 -3.312 1.00 0.00 N ATOM 1131 CA ALA A 68 6.600 9.410 -4.358 1.00 0.00 C ATOM 1132 C ALA A 68 6.599 10.775 -5.049 1.00 0.00 C ATOM 1133 O ALA A 68 7.492 11.097 -5.808 1.00 0.00 O ATOM 1134 CB ALA A 68 6.329 8.316 -5.393 1.00 0.00 C ATOM 0 H ALA A 68 4.928 8.561 -3.340 1.00 0.00 H new ATOM 0 HA ALA A 68 7.571 9.240 -3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.105 8.339 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.331 7.343 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.357 8.486 -5.857 1.00 0.00 H new ATOM 1140 N ILE A 69 5.606 11.581 -4.790 1.00 0.00 N ATOM 1141 CA ILE A 69 5.547 12.928 -5.428 1.00 0.00 C ATOM 1142 C ILE A 69 6.919 13.602 -5.329 1.00 0.00 C ATOM 1143 O ILE A 69 7.194 14.571 -6.008 1.00 0.00 O ATOM 1144 CB ILE A 69 4.498 13.782 -4.709 1.00 0.00 C ATOM 1145 CG1 ILE A 69 3.089 13.345 -5.143 1.00 0.00 C ATOM 1146 CG2 ILE A 69 4.710 15.263 -5.044 1.00 0.00 C ATOM 1147 CD1 ILE A 69 2.687 14.052 -6.444 1.00 0.00 C ATOM 0 H ILE A 69 4.831 11.365 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 69 5.274 12.825 -6.478 1.00 0.00 H new ATOM 0 HB ILE A 69 4.601 13.644 -3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.064 12.265 -5.286 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.371 13.579 -4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.960 15.863 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.705 15.570 -4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.616 15.410 -6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.687 13.732 -6.738 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.692 15.131 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.396 13.796 -7.231 1.00 0.00 H new ATOM 1159 N VAL A 70 7.780 13.098 -4.488 1.00 0.00 N ATOM 1160 CA VAL A 70 9.131 13.712 -4.347 1.00 0.00 C ATOM 1161 C VAL A 70 9.729 13.963 -5.734 1.00 0.00 C ATOM 1162 O VAL A 70 10.697 14.682 -5.882 1.00 0.00 O ATOM 1163 CB VAL A 70 10.040 12.767 -3.562 1.00 0.00 C ATOM 1164 CG1 VAL A 70 11.446 13.364 -3.475 1.00 0.00 C ATOM 1165 CG2 VAL A 70 9.478 12.577 -2.151 1.00 0.00 C ATOM 0 H VAL A 70 7.607 12.288 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 70 9.045 14.659 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 70 10.087 11.803 -4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.094 12.689 -2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.846 13.500 -4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 70 11.401 14.328 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.125 11.903 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.432 13.541 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.477 12.151 -2.213 1.00 0.00 H new ATOM 1175 N ALA A 71 9.158 13.377 -6.751 1.00 0.00 N ATOM 1176 CA ALA A 71 9.691 13.584 -8.128 1.00 0.00 C ATOM 1177 C ALA A 71 9.086 14.858 -8.720 1.00 0.00 C ATOM 1178 O ALA A 71 8.625 15.728 -8.007 1.00 0.00 O ATOM 1179 CB ALA A 71 9.316 12.388 -9.005 1.00 0.00 C ATOM 0 H ALA A 71 8.345 12.764 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 71 10.776 13.679 -8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.705 12.539 -10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.744 11.479 -8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.231 12.293 -9.046 1.00 0.00 H new ATOM 1185 N GLU A 72 9.083 14.976 -10.020 1.00 0.00 N ATOM 1186 CA GLU A 72 8.506 16.194 -10.658 1.00 0.00 C ATOM 1187 C GLU A 72 6.988 16.198 -10.469 1.00 0.00 C ATOM 1188 O GLU A 72 6.384 15.180 -10.192 1.00 0.00 O ATOM 1189 CB GLU A 72 8.836 16.190 -12.152 1.00 0.00 C ATOM 1190 CG GLU A 72 8.187 14.974 -12.816 1.00 0.00 C ATOM 1191 CD GLU A 72 8.797 14.761 -14.203 1.00 0.00 C ATOM 1192 OE1 GLU A 72 9.988 14.982 -14.344 1.00 0.00 O ATOM 1193 OE2 GLU A 72 8.063 14.379 -15.099 1.00 0.00 O ATOM 0 H GLU A 72 9.455 14.282 -10.668 1.00 0.00 H new ATOM 0 HA GLU A 72 8.931 17.084 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.475 17.107 -12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.916 16.163 -12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.338 14.087 -12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.111 15.124 -12.900 1.00 0.00 H new ATOM 1200 N GLU A 73 6.364 17.335 -10.618 1.00 0.00 N ATOM 1201 CA GLU A 73 4.885 17.402 -10.446 1.00 0.00 C ATOM 1202 C GLU A 73 4.204 16.648 -11.591 1.00 0.00 C ATOM 1203 O GLU A 73 3.889 17.215 -12.618 1.00 0.00 O ATOM 1204 CB GLU A 73 4.435 18.864 -10.458 1.00 0.00 C ATOM 1205 CG GLU A 73 2.982 18.957 -9.989 1.00 0.00 C ATOM 1206 CD GLU A 73 2.454 20.370 -10.235 1.00 0.00 C ATOM 1207 OE1 GLU A 73 2.290 20.727 -11.390 1.00 0.00 O ATOM 1208 OE2 GLU A 73 2.221 21.072 -9.266 1.00 0.00 O ATOM 0 H GLU A 73 6.814 18.220 -10.851 1.00 0.00 H new ATOM 0 HA GLU A 73 4.609 16.946 -9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.077 19.458 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.531 19.276 -11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.370 18.231 -10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.915 18.712 -8.929 1.00 0.00 H new ATOM 1215 N ARG A 74 3.976 15.374 -11.423 1.00 0.00 N ATOM 1216 CA ARG A 74 3.318 14.584 -12.501 1.00 0.00 C ATOM 1217 C ARG A 74 1.796 14.694 -12.357 1.00 0.00 C ATOM 1218 O ARG A 74 1.053 13.897 -12.896 1.00 0.00 O ATOM 1219 CB ARG A 74 3.743 13.116 -12.386 1.00 0.00 C ATOM 1220 CG ARG A 74 3.567 12.419 -13.739 1.00 0.00 C ATOM 1221 CD ARG A 74 3.777 10.913 -13.570 1.00 0.00 C ATOM 1222 NE ARG A 74 3.678 10.246 -14.899 1.00 0.00 N ATOM 1223 CZ ARG A 74 3.432 8.966 -14.970 1.00 0.00 C ATOM 1224 NH1 ARG A 74 3.271 8.271 -13.877 1.00 0.00 N ATOM 1225 NH2 ARG A 74 3.348 8.381 -16.133 1.00 0.00 N ATOM 0 H ARG A 74 4.217 14.846 -10.584 1.00 0.00 H new ATOM 0 HA ARG A 74 3.617 14.972 -13.475 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.783 13.053 -12.066 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.145 12.613 -11.626 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.570 12.616 -14.134 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.280 12.817 -14.461 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.753 10.719 -13.125 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.030 10.505 -12.890 1.00 0.00 H new ATOM 0 HE ARG A 74 3.802 10.790 -15.753 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.337 8.728 -12.968 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.079 7.271 -13.932 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.475 8.924 -16.987 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.156 7.381 -16.188 1.00 0.00 H new ATOM 1239 N LYS A 75 1.328 15.674 -11.634 1.00 0.00 N ATOM 1240 CA LYS A 75 -0.145 15.832 -11.457 1.00 0.00 C ATOM 1241 C LYS A 75 -0.751 14.501 -11.010 1.00 0.00 C ATOM 1242 O LYS A 75 -0.059 13.621 -10.538 1.00 0.00 O ATOM 1243 CB LYS A 75 -0.773 16.259 -12.785 1.00 0.00 C ATOM 1244 CG LYS A 75 -0.135 17.569 -13.253 1.00 0.00 C ATOM 1245 CD LYS A 75 -0.674 17.935 -14.637 1.00 0.00 C ATOM 1246 CE LYS A 75 -0.333 19.392 -14.950 1.00 0.00 C ATOM 1247 NZ LYS A 75 -0.541 19.649 -16.404 1.00 0.00 N ATOM 0 H LYS A 75 1.900 16.372 -11.158 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.342 16.592 -10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.626 15.482 -13.535 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.849 16.388 -12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.355 18.366 -12.543 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.949 17.465 -13.290 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.241 17.279 -15.392 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.754 17.789 -14.669 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.960 20.059 -14.358 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.701 19.602 -14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.309 20.640 -16.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.075 19.022 -16.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.534 19.465 -16.650 1.00 0.00 H new ATOM 1261 N ARG A 76 -2.039 14.348 -11.155 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.695 13.075 -10.738 1.00 0.00 C ATOM 1263 C ARG A 76 -1.851 11.886 -11.204 1.00 0.00 C ATOM 1264 O ARG A 76 -1.564 11.736 -12.375 1.00 0.00 O ATOM 1265 CB ARG A 76 -4.092 12.991 -11.364 1.00 0.00 C ATOM 1266 CG ARG A 76 -3.990 13.111 -12.892 1.00 0.00 C ATOM 1267 CD ARG A 76 -5.177 13.915 -13.428 1.00 0.00 C ATOM 1268 NE ARG A 76 -5.145 15.290 -12.853 1.00 0.00 N ATOM 1269 CZ ARG A 76 -6.223 16.024 -12.853 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -7.330 15.558 -13.363 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -6.195 17.226 -12.343 1.00 0.00 N ATOM 0 H ARG A 76 -2.667 15.051 -11.545 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.783 13.051 -9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.564 12.046 -11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.725 13.786 -10.970 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.055 13.599 -13.166 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.977 12.119 -13.344 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.136 13.963 -14.516 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.113 13.421 -13.166 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.279 15.657 -12.459 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.352 14.619 -13.762 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.173 16.132 -13.363 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.330 17.591 -11.945 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.038 17.800 -12.343 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.444 11.044 -10.293 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.610 9.872 -10.679 1.00 0.00 C ATOM 1287 C ILE A 77 -1.502 8.760 -11.237 1.00 0.00 C ATOM 1288 O ILE A 77 -2.368 8.244 -10.557 1.00 0.00 O ATOM 1289 CB ILE A 77 0.143 9.358 -9.451 1.00 0.00 C ATOM 1290 CG1 ILE A 77 1.080 10.454 -8.936 1.00 0.00 C ATOM 1291 CG2 ILE A 77 0.963 8.128 -9.835 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.539 10.110 -7.519 1.00 0.00 C ATOM 0 H ILE A 77 -1.654 11.118 -9.298 1.00 0.00 H new ATOM 0 HA ILE A 77 0.104 10.175 -11.445 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.570 9.090 -8.671 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.942 10.549 -9.596 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.568 11.416 -8.940 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.500 7.761 -8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.298 7.348 -10.206 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.677 8.396 -10.613 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.206 10.891 -7.153 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.671 10.037 -6.863 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.067 9.157 -7.529 1.00 0.00 H new ATOM 1304 N THR A 78 -1.290 8.383 -12.470 1.00 0.00 N ATOM 1305 CA THR A 78 -2.117 7.300 -13.076 1.00 0.00 C ATOM 1306 C THR A 78 -1.426 5.954 -12.860 1.00 0.00 C ATOM 1307 O THR A 78 -0.256 5.794 -13.145 1.00 0.00 O ATOM 1308 CB THR A 78 -2.277 7.556 -14.577 1.00 0.00 C ATOM 1309 OG1 THR A 78 -2.544 8.934 -14.796 1.00 0.00 O ATOM 1310 CG2 THR A 78 -3.434 6.717 -15.121 1.00 0.00 C ATOM 0 H THR A 78 -0.579 8.779 -13.084 1.00 0.00 H new ATOM 0 HA THR A 78 -3.100 7.286 -12.605 1.00 0.00 H new ATOM 0 HB THR A 78 -1.357 7.278 -15.092 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.645 9.099 -15.757 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.546 6.901 -16.190 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.227 5.660 -14.955 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.355 6.991 -14.607 1.00 0.00 H new ATOM 1318 N VAL A 79 -2.143 4.985 -12.358 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.535 3.642 -12.119 1.00 0.00 C ATOM 1320 C VAL A 79 -2.118 2.637 -13.113 1.00 0.00 C ATOM 1321 O VAL A 79 -3.316 2.559 -13.301 1.00 0.00 O ATOM 1322 CB VAL A 79 -1.849 3.189 -10.692 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.126 1.871 -10.405 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.377 4.258 -9.702 1.00 0.00 C ATOM 0 H VAL A 79 -3.127 5.065 -12.102 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.455 3.701 -12.252 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.924 3.044 -10.584 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.349 1.547 -9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.462 1.111 -11.110 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.051 2.015 -10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.600 3.936 -8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.302 4.403 -9.809 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.892 5.196 -9.907 1.00 0.00 H new ATOM 1334 N THR A 80 -1.276 1.865 -13.751 1.00 0.00 N ATOM 1335 CA THR A 80 -1.772 0.858 -14.738 1.00 0.00 C ATOM 1336 C THR A 80 -1.174 -0.511 -14.408 1.00 0.00 C ATOM 1337 O THR A 80 -0.842 -0.798 -13.276 1.00 0.00 O ATOM 1338 CB THR A 80 -1.343 1.274 -16.147 1.00 0.00 C ATOM 1339 OG1 THR A 80 0.076 1.314 -16.215 1.00 0.00 O ATOM 1340 CG2 THR A 80 -1.910 2.658 -16.465 1.00 0.00 C ATOM 0 H THR A 80 -0.263 1.888 -13.631 1.00 0.00 H new ATOM 0 HA THR A 80 -2.860 0.803 -14.690 1.00 0.00 H new ATOM 0 HB THR A 80 -1.722 0.553 -16.872 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.353 1.579 -17.117 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.605 2.955 -17.468 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.998 2.626 -16.411 1.00 0.00 H new ATOM 0 HG23 THR A 80 -1.532 3.381 -15.742 1.00 0.00 H new ATOM 1348 N GLU A 81 -1.034 -1.360 -15.391 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.458 -2.709 -15.133 1.00 0.00 C ATOM 1350 C GLU A 81 1.067 -2.606 -15.055 1.00 0.00 C ATOM 1351 O GLU A 81 1.708 -3.311 -14.301 1.00 0.00 O ATOM 1352 CB GLU A 81 -0.851 -3.655 -16.269 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.357 -3.087 -17.600 1.00 0.00 C ATOM 1354 CD GLU A 81 -0.895 -3.940 -18.750 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -1.534 -4.941 -18.470 1.00 0.00 O ATOM 1356 OE2 GLU A 81 -0.658 -3.578 -19.890 1.00 0.00 O ATOM 0 H GLU A 81 -1.294 -1.177 -16.360 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.843 -3.096 -14.189 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.420 -4.642 -16.100 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.934 -3.780 -16.294 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.689 -2.055 -17.713 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.733 -3.076 -17.621 1.00 0.00 H new ATOM 1363 N LYS A 82 1.653 -1.731 -15.826 1.00 0.00 N ATOM 1364 CA LYS A 82 3.136 -1.584 -15.791 1.00 0.00 C ATOM 1365 C LYS A 82 3.536 -0.783 -14.551 1.00 0.00 C ATOM 1366 O LYS A 82 4.362 -1.205 -13.765 1.00 0.00 O ATOM 1367 CB LYS A 82 3.608 -0.848 -17.048 1.00 0.00 C ATOM 1368 CG LYS A 82 2.901 -1.426 -18.277 1.00 0.00 C ATOM 1369 CD LYS A 82 3.633 -0.980 -19.547 1.00 0.00 C ATOM 1370 CE LYS A 82 2.706 -1.132 -20.755 1.00 0.00 C ATOM 1371 NZ LYS A 82 1.727 -0.008 -20.772 1.00 0.00 N ATOM 0 H LYS A 82 1.170 -1.113 -16.478 1.00 0.00 H new ATOM 0 HA LYS A 82 3.599 -2.570 -15.754 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.394 0.217 -16.960 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.688 -0.948 -17.156 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.881 -2.514 -18.220 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.865 -1.089 -18.305 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.952 0.058 -19.449 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.533 -1.578 -19.689 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.289 -1.135 -21.676 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.181 -2.086 -20.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.782 -0.375 -21.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.703 0.446 -19.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.012 0.690 -21.488 1.00 0.00 H new ATOM 1385 N ASN A 83 2.955 0.372 -14.369 1.00 0.00 N ATOM 1386 CA ASN A 83 3.296 1.204 -13.179 1.00 0.00 C ATOM 1387 C ASN A 83 3.272 0.332 -11.921 1.00 0.00 C ATOM 1388 O ASN A 83 4.097 0.475 -11.041 1.00 0.00 O ATOM 1389 CB ASN A 83 2.277 2.336 -13.038 1.00 0.00 C ATOM 1390 CG ASN A 83 1.968 2.922 -14.417 1.00 0.00 C ATOM 1391 OD1 ASN A 83 0.915 3.490 -14.627 1.00 0.00 O ATOM 1392 ND2 ASN A 83 2.849 2.808 -15.373 1.00 0.00 N ATOM 0 H ASN A 83 2.258 0.776 -14.994 1.00 0.00 H new ATOM 0 HA ASN A 83 4.292 1.628 -13.306 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.363 1.961 -12.578 1.00 0.00 H new ATOM 0 HB3 ASN A 83 2.669 3.112 -12.381 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.653 3.196 -16.296 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.733 2.331 -15.197 1.00 0.00 H new ATOM 1399 N LEU A 84 2.328 -0.568 -11.831 1.00 0.00 N ATOM 1400 CA LEU A 84 2.235 -1.454 -10.638 1.00 0.00 C ATOM 1401 C LEU A 84 3.638 -1.902 -10.216 1.00 0.00 C ATOM 1402 O LEU A 84 4.020 -1.776 -9.069 1.00 0.00 O ATOM 1403 CB LEU A 84 1.379 -2.670 -11.012 1.00 0.00 C ATOM 1404 CG LEU A 84 1.324 -3.692 -9.867 1.00 0.00 C ATOM 1405 CD1 LEU A 84 2.636 -4.493 -9.784 1.00 0.00 C ATOM 1406 CD2 LEU A 84 1.071 -2.977 -8.534 1.00 0.00 C ATOM 0 H LEU A 84 1.612 -0.727 -12.540 1.00 0.00 H new ATOM 0 HA LEU A 84 1.779 -0.922 -9.803 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.369 -2.343 -11.259 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.788 -3.144 -11.905 1.00 0.00 H new ATOM 0 HG LEU A 84 0.506 -4.384 -10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.573 -5.210 -8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.797 -5.025 -10.722 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.468 -3.811 -9.606 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.034 -3.711 -7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.877 -2.269 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.122 -2.443 -8.582 1.00 0.00 H new ATOM 1418 N GLN A 85 4.407 -2.420 -11.131 1.00 0.00 N ATOM 1419 CA GLN A 85 5.783 -2.871 -10.778 1.00 0.00 C ATOM 1420 C GLN A 85 6.594 -1.679 -10.266 1.00 0.00 C ATOM 1421 O GLN A 85 7.365 -1.794 -9.335 1.00 0.00 O ATOM 1422 CB GLN A 85 6.463 -3.453 -12.020 1.00 0.00 C ATOM 1423 CG GLN A 85 5.610 -4.591 -12.585 1.00 0.00 C ATOM 1424 CD GLN A 85 6.101 -4.948 -13.989 1.00 0.00 C ATOM 1425 OE1 GLN A 85 6.515 -4.086 -14.738 1.00 0.00 O ATOM 1426 NE2 GLN A 85 6.070 -6.193 -14.381 1.00 0.00 N ATOM 0 H GLN A 85 4.144 -2.551 -12.108 1.00 0.00 H new ATOM 0 HA GLN A 85 5.727 -3.634 -10.002 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.595 -2.676 -12.773 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.456 -3.822 -11.764 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.671 -5.463 -11.934 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.562 -4.292 -12.620 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.722 -6.917 -13.752 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.393 -6.442 -15.316 1.00 0.00 H new ATOM 1435 N ASP A 86 6.429 -0.537 -10.873 1.00 0.00 N ATOM 1436 CA ASP A 86 7.193 0.664 -10.430 1.00 0.00 C ATOM 1437 C ASP A 86 6.897 0.958 -8.956 1.00 0.00 C ATOM 1438 O ASP A 86 7.778 1.316 -8.201 1.00 0.00 O ATOM 1439 CB ASP A 86 6.785 1.869 -11.282 1.00 0.00 C ATOM 1440 CG ASP A 86 7.819 2.985 -11.120 1.00 0.00 C ATOM 1441 OD1 ASP A 86 8.929 2.811 -11.595 1.00 0.00 O ATOM 1442 OD2 ASP A 86 7.483 3.993 -10.521 1.00 0.00 O ATOM 0 H ASP A 86 5.797 -0.383 -11.658 1.00 0.00 H new ATOM 0 HA ASP A 86 8.260 0.474 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.710 1.578 -12.330 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.800 2.225 -10.979 1.00 0.00 H new ATOM 1447 N PHE A 87 5.669 0.812 -8.538 1.00 0.00 N ATOM 1448 CA PHE A 87 5.335 1.085 -7.112 1.00 0.00 C ATOM 1449 C PHE A 87 5.714 -0.130 -6.266 1.00 0.00 C ATOM 1450 O PHE A 87 6.594 -0.071 -5.430 1.00 0.00 O ATOM 1451 CB PHE A 87 3.833 1.343 -6.967 1.00 0.00 C ATOM 1452 CG PHE A 87 3.443 2.587 -7.734 1.00 0.00 C ATOM 1453 CD1 PHE A 87 3.924 3.838 -7.331 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.593 2.489 -8.843 1.00 0.00 C ATOM 1455 CE1 PHE A 87 3.558 4.990 -8.037 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.226 3.641 -9.547 1.00 0.00 C ATOM 1457 CZ PHE A 87 2.708 4.891 -9.145 1.00 0.00 C ATOM 0 H PHE A 87 4.885 0.517 -9.120 1.00 0.00 H new ATOM 0 HA PHE A 87 5.887 1.963 -6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.271 0.486 -7.339 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.576 1.460 -5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.578 3.915 -6.475 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.221 1.524 -9.155 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.931 5.955 -7.727 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.570 3.565 -10.402 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.424 5.780 -9.689 1.00 0.00 H new ATOM 1467 N ILE A 88 5.049 -1.230 -6.481 1.00 0.00 N ATOM 1468 CA ILE A 88 5.354 -2.457 -5.699 1.00 0.00 C ATOM 1469 C ILE A 88 6.656 -3.078 -6.218 1.00 0.00 C ATOM 1470 O ILE A 88 7.617 -3.226 -5.489 1.00 0.00 O ATOM 1471 CB ILE A 88 4.186 -3.442 -5.852 1.00 0.00 C ATOM 1472 CG1 ILE A 88 3.221 -3.289 -4.668 1.00 0.00 C ATOM 1473 CG2 ILE A 88 4.698 -4.884 -5.904 1.00 0.00 C ATOM 1474 CD1 ILE A 88 1.844 -3.843 -5.048 1.00 0.00 C ATOM 0 H ILE A 88 4.303 -1.331 -7.169 1.00 0.00 H new ATOM 0 HA ILE A 88 5.482 -2.215 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 88 3.667 -3.219 -6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.610 -3.820 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.137 -2.239 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.855 -5.566 -6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.371 -5.001 -6.754 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.234 -5.113 -4.983 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.162 -3.733 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.454 -3.293 -5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.935 -4.898 -5.305 1.00 0.00 H new ATOM 1486 N GLY A 89 6.694 -3.444 -7.470 1.00 0.00 N ATOM 1487 CA GLY A 89 7.932 -4.058 -8.031 1.00 0.00 C ATOM 1488 C GLY A 89 8.159 -5.431 -7.393 1.00 0.00 C ATOM 1489 O GLY A 89 8.509 -6.385 -8.059 1.00 0.00 O ATOM 0 H GLY A 89 5.922 -3.345 -8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.842 -4.159 -9.113 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.789 -3.411 -7.841 1.00 0.00 H new ATOM 1493 N LYS A 90 7.965 -5.538 -6.105 1.00 0.00 N ATOM 1494 CA LYS A 90 8.172 -6.848 -5.420 1.00 0.00 C ATOM 1495 C LYS A 90 6.833 -7.581 -5.299 1.00 0.00 C ATOM 1496 O LYS A 90 5.990 -7.224 -4.502 1.00 0.00 O ATOM 1497 CB LYS A 90 8.745 -6.601 -4.022 1.00 0.00 C ATOM 1498 CG LYS A 90 9.220 -7.925 -3.416 1.00 0.00 C ATOM 1499 CD LYS A 90 9.346 -7.778 -1.898 1.00 0.00 C ATOM 1500 CE LYS A 90 10.177 -8.934 -1.336 1.00 0.00 C ATOM 1501 NZ LYS A 90 11.617 -8.706 -1.641 1.00 0.00 N ATOM 0 H LYS A 90 7.672 -4.774 -5.497 1.00 0.00 H new ATOM 0 HA LYS A 90 8.866 -7.457 -5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.576 -5.897 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.987 -6.149 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.515 -8.721 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.181 -8.209 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.817 -6.826 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.357 -7.772 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.030 -9.011 -0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.847 -9.878 -1.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.202 -9.288 -1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.808 -8.969 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.847 -7.702 -1.499 1.00 0.00 H new ATOM 1515 N ARG A 91 6.634 -8.609 -6.084 1.00 0.00 N ATOM 1516 CA ARG A 91 5.351 -9.370 -6.016 1.00 0.00 C ATOM 1517 C ARG A 91 5.577 -10.681 -5.256 1.00 0.00 C ATOM 1518 O ARG A 91 6.523 -10.818 -4.507 1.00 0.00 O ATOM 1519 CB ARG A 91 4.864 -9.681 -7.436 1.00 0.00 C ATOM 1520 CG ARG A 91 5.998 -10.321 -8.252 1.00 0.00 C ATOM 1521 CD ARG A 91 6.705 -9.251 -9.090 1.00 0.00 C ATOM 1522 NE ARG A 91 7.789 -9.885 -9.891 1.00 0.00 N ATOM 1523 CZ ARG A 91 8.523 -9.157 -10.687 1.00 0.00 C ATOM 1524 NH1 ARG A 91 8.311 -7.873 -10.778 1.00 0.00 N ATOM 1525 NH2 ARG A 91 9.471 -9.712 -11.392 1.00 0.00 N ATOM 0 H ARG A 91 7.306 -8.954 -6.770 1.00 0.00 H new ATOM 0 HA ARG A 91 4.601 -8.772 -5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.008 -10.355 -7.396 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.527 -8.766 -7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.712 -10.802 -7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.596 -11.098 -8.902 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.990 -8.759 -9.750 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.121 -8.481 -8.440 1.00 0.00 H new ATOM 0 HE ARG A 91 7.958 -10.888 -9.817 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.571 -7.438 -10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.885 -7.304 -11.400 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.638 -10.716 -11.321 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.044 -9.142 -12.014 1.00 0.00 H new ATOM 1539 N ILE A 92 4.714 -11.645 -5.444 1.00 0.00 N ATOM 1540 CA ILE A 92 4.877 -12.947 -4.733 1.00 0.00 C ATOM 1541 C ILE A 92 4.482 -14.092 -5.667 1.00 0.00 C ATOM 1542 O ILE A 92 5.182 -15.078 -5.786 1.00 0.00 O ATOM 1543 CB ILE A 92 3.979 -12.966 -3.497 1.00 0.00 C ATOM 1544 CG1 ILE A 92 4.191 -11.678 -2.696 1.00 0.00 C ATOM 1545 CG2 ILE A 92 4.333 -14.173 -2.627 1.00 0.00 C ATOM 1546 CD1 ILE A 92 3.370 -11.736 -1.407 1.00 0.00 C ATOM 0 H ILE A 92 3.903 -11.587 -6.060 1.00 0.00 H new ATOM 0 HA ILE A 92 5.917 -13.068 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 92 2.936 -13.036 -3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 92 5.248 -11.554 -2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.893 -10.814 -3.291 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.692 -14.186 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.184 -15.089 -3.198 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.376 -14.105 -2.317 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.521 -10.819 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.313 -11.840 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.689 -12.590 -0.810 1.00 0.00 H new ATOM 1558 N PHE A 93 3.363 -13.973 -6.327 1.00 0.00 N ATOM 1559 CA PHE A 93 2.923 -15.058 -7.250 1.00 0.00 C ATOM 1560 C PHE A 93 3.700 -14.961 -8.564 1.00 0.00 C ATOM 1561 O PHE A 93 3.138 -14.710 -9.612 1.00 0.00 O ATOM 1562 CB PHE A 93 1.426 -14.911 -7.531 1.00 0.00 C ATOM 1563 CG PHE A 93 0.644 -15.195 -6.271 1.00 0.00 C ATOM 1564 CD1 PHE A 93 0.607 -14.248 -5.241 1.00 0.00 C ATOM 1565 CD2 PHE A 93 -0.045 -16.407 -6.132 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.117 -14.511 -4.072 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -0.770 -16.670 -4.964 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.807 -15.722 -3.935 1.00 0.00 C ATOM 0 H PHE A 93 2.734 -13.172 -6.267 1.00 0.00 H new ATOM 0 HA PHE A 93 3.114 -16.026 -6.788 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.210 -13.903 -7.886 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.125 -15.599 -8.321 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.138 -13.313 -5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.017 -17.138 -6.926 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.143 -13.781 -3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.301 -17.604 -4.857 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.368 -15.925 -3.035 1.00 0.00 H new ATOM 1578 N ARG A 94 4.989 -15.160 -8.519 1.00 0.00 N ATOM 1579 CA ARG A 94 5.799 -15.081 -9.768 1.00 0.00 C ATOM 1580 C ARG A 94 5.459 -16.269 -10.672 1.00 0.00 C ATOM 1581 O ARG A 94 6.057 -17.322 -10.582 1.00 0.00 O ATOM 1582 CB ARG A 94 7.288 -15.120 -9.413 1.00 0.00 C ATOM 1583 CG ARG A 94 8.123 -14.948 -10.683 1.00 0.00 C ATOM 1584 CD ARG A 94 9.570 -14.626 -10.305 1.00 0.00 C ATOM 1585 NE ARG A 94 10.158 -15.780 -9.567 1.00 0.00 N ATOM 1586 CZ ARG A 94 11.438 -15.809 -9.312 1.00 0.00 C ATOM 1587 NH1 ARG A 94 12.204 -14.829 -9.706 1.00 0.00 N ATOM 1588 NH2 ARG A 94 11.950 -16.818 -8.664 1.00 0.00 N ATOM 0 H ARG A 94 5.516 -15.374 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 94 5.574 -14.151 -10.290 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.523 -14.329 -8.701 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.532 -16.066 -8.930 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.087 -15.859 -11.281 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.710 -14.147 -11.297 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.154 -14.418 -11.202 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.605 -13.729 -9.687 1.00 0.00 H new ATOM 0 HE ARG A 94 9.560 -16.547 -9.261 1.00 0.00 H new ATOM 0 HH11 ARG A 94 11.803 -14.040 -10.213 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.204 -14.852 -9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.351 -17.584 -8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 94 12.950 -16.841 -8.464 1.00 0.00 H new ATOM 1602 N TYR A 95 4.501 -16.107 -11.545 1.00 0.00 N ATOM 1603 CA TYR A 95 4.120 -17.226 -12.455 1.00 0.00 C ATOM 1604 C TYR A 95 3.616 -16.650 -13.782 1.00 0.00 C ATOM 1605 O TYR A 95 3.679 -15.460 -14.018 1.00 0.00 O ATOM 1606 CB TYR A 95 3.010 -18.062 -11.800 1.00 0.00 C ATOM 1607 CG TYR A 95 3.609 -19.295 -11.159 1.00 0.00 C ATOM 1608 CD1 TYR A 95 4.142 -20.309 -11.962 1.00 0.00 C ATOM 1609 CD2 TYR A 95 3.629 -19.421 -9.764 1.00 0.00 C ATOM 1610 CE1 TYR A 95 4.695 -21.452 -11.372 1.00 0.00 C ATOM 1611 CE2 TYR A 95 4.182 -20.564 -9.174 1.00 0.00 C ATOM 1612 CZ TYR A 95 4.716 -21.579 -9.978 1.00 0.00 C ATOM 1613 OH TYR A 95 5.261 -22.705 -9.396 1.00 0.00 O ATOM 0 H TYR A 95 3.965 -15.248 -11.667 1.00 0.00 H new ATOM 0 HA TYR A 95 4.987 -17.860 -12.640 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.489 -17.467 -11.050 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.271 -18.352 -12.547 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.127 -20.210 -13.037 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.218 -18.637 -9.144 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.105 -22.235 -11.992 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.197 -20.663 -8.099 1.00 0.00 H new ATOM 0 HH TYR A 95 5.197 -22.633 -8.421 1.00 0.00 H new TER 1623 TYR A 95