USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 736 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 NoAdj-H: A 67 HIS HE2 : A 67 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 64 SER OG : rot -83:sc= 1.21 USER MOD Set 1.2: A 66 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 59 GLN : amide:sc= 1.21 K(o=1.2,f=-0.048) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0604 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc=-0.00755 X(o=-0.0076,f=-0.042) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -115:sc= -0.393 (180deg=-2.18!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0937 X(o=-0.094,f=-0.52) USER MOD Single : A 35 ASN : amide:sc= -0.8 X(o=-0.8,f=-0.84) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= 0.108 (180deg=0.0813) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 130:sc= -2.39 USER MOD Single : A 48 LYS NZ :NH3+ 137:sc= 0.0452 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -63:sc= -0.146 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -12.6! C(o=-13!,f=-13!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 154:sc= -0.044 (180deg=-0.901) USER MOD Single : A 79 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.68) USER MOD Single : A 80 GLN : amide:sc= -0.0268 K(o=-0.027,f=-2.2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0235) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 27:sc= 1.03 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -43.545 4.242 8.373 1.00 0.00 N ATOM 2 CA GLY A 1 -42.116 3.988 8.397 1.00 0.00 C ATOM 3 C GLY A 1 -41.600 3.450 7.077 1.00 0.00 C ATOM 4 O GLY A 1 -42.150 2.492 6.532 1.00 0.00 O ATOM 0 H1 GLY A 1 -43.848 4.608 9.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 -43.761 4.943 7.636 1.00 0.00 H new ATOM 0 H3 GLY A 1 -44.052 3.357 8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -41.590 4.911 8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -41.890 3.275 9.190 1.00 0.00 H new ATOM 8 N SER A 2 -40.543 4.068 6.560 1.00 0.00 N ATOM 9 CA SER A 2 -39.957 3.648 5.292 1.00 0.00 C ATOM 10 C SER A 2 -38.434 3.725 5.346 1.00 0.00 C ATOM 11 O SER A 2 -37.861 4.232 6.310 1.00 0.00 O ATOM 12 CB SER A 2 -40.482 4.519 4.150 1.00 0.00 C ATOM 13 OG SER A 2 -40.317 3.874 2.899 1.00 0.00 O ATOM 0 H SER A 2 -40.075 4.861 6.999 1.00 0.00 H new ATOM 0 HA SER A 2 -40.246 2.612 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 2 -41.537 4.740 4.312 1.00 0.00 H new ATOM 0 HB3 SER A 2 -39.954 5.473 4.143 1.00 0.00 H new ATOM 0 HG SER A 2 -40.662 4.451 2.186 1.00 0.00 H new ATOM 19 N SER A 3 -37.785 3.216 4.304 1.00 0.00 N ATOM 20 CA SER A 3 -36.328 3.223 4.233 1.00 0.00 C ATOM 21 C SER A 3 -35.841 4.191 3.160 1.00 0.00 C ATOM 22 O SER A 3 -36.555 4.484 2.201 1.00 0.00 O ATOM 23 CB SER A 3 -35.804 1.815 3.942 1.00 0.00 C ATOM 24 OG SER A 3 -34.408 1.734 4.168 1.00 0.00 O ATOM 0 H SER A 3 -38.245 2.794 3.497 1.00 0.00 H new ATOM 0 HA SER A 3 -35.943 3.554 5.198 1.00 0.00 H new ATOM 0 HB2 SER A 3 -36.321 1.093 4.575 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.024 1.548 2.908 1.00 0.00 H new ATOM 0 HG SER A 3 -34.098 0.824 3.977 1.00 0.00 H new ATOM 30 N GLY A 4 -34.618 4.685 3.328 1.00 0.00 N ATOM 31 CA GLY A 4 -34.055 5.616 2.367 1.00 0.00 C ATOM 32 C GLY A 4 -32.764 5.108 1.757 1.00 0.00 C ATOM 33 O GLY A 4 -32.617 3.912 1.504 1.00 0.00 O ATOM 0 H GLY A 4 -34.007 4.457 4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.781 5.799 1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -33.870 6.572 2.857 1.00 0.00 H new ATOM 37 N SER A 5 -31.826 6.019 1.518 1.00 0.00 N ATOM 38 CA SER A 5 -30.542 5.657 0.928 1.00 0.00 C ATOM 39 C SER A 5 -29.436 6.583 1.426 1.00 0.00 C ATOM 40 O SER A 5 -29.694 7.719 1.823 1.00 0.00 O ATOM 41 CB SER A 5 -30.624 5.716 -0.598 1.00 0.00 C ATOM 42 OG SER A 5 -31.723 4.963 -1.080 1.00 0.00 O ATOM 0 H SER A 5 -31.931 7.013 1.724 1.00 0.00 H new ATOM 0 HA SER A 5 -30.304 4.638 1.233 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.721 6.753 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 5 -29.699 5.333 -1.030 1.00 0.00 H new ATOM 0 HG SER A 5 -31.754 5.018 -2.058 1.00 0.00 H new ATOM 48 N SER A 6 -28.202 6.087 1.401 1.00 0.00 N ATOM 49 CA SER A 6 -27.056 6.867 1.853 1.00 0.00 C ATOM 50 C SER A 6 -25.825 6.565 1.004 1.00 0.00 C ATOM 51 O SER A 6 -25.650 5.447 0.521 1.00 0.00 O ATOM 52 CB SER A 6 -26.760 6.573 3.324 1.00 0.00 C ATOM 53 OG SER A 6 -27.758 7.126 4.166 1.00 0.00 O ATOM 0 H SER A 6 -27.971 5.149 1.073 1.00 0.00 H new ATOM 0 HA SER A 6 -27.301 7.923 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 6 -26.705 5.495 3.479 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.786 6.983 3.591 1.00 0.00 H new ATOM 0 HG SER A 6 -27.547 6.923 5.101 1.00 0.00 H new ATOM 59 N GLY A 7 -24.973 7.570 0.828 1.00 0.00 N ATOM 60 CA GLY A 7 -23.769 7.393 0.038 1.00 0.00 C ATOM 61 C GLY A 7 -22.512 7.419 0.884 1.00 0.00 C ATOM 62 O GLY A 7 -22.533 7.034 2.054 1.00 0.00 O ATOM 0 H GLY A 7 -25.095 8.504 1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.825 6.444 -0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.713 8.179 -0.715 1.00 0.00 H new ATOM 66 N LEU A 8 -21.412 7.872 0.292 1.00 0.00 N ATOM 67 CA LEU A 8 -20.138 7.945 0.999 1.00 0.00 C ATOM 68 C LEU A 8 -19.742 9.395 1.260 1.00 0.00 C ATOM 69 O LEU A 8 -20.182 10.304 0.557 1.00 0.00 O ATOM 70 CB LEU A 8 -19.044 7.244 0.193 1.00 0.00 C ATOM 71 CG LEU A 8 -18.927 5.732 0.393 1.00 0.00 C ATOM 72 CD1 LEU A 8 -18.598 5.409 1.842 1.00 0.00 C ATOM 73 CD2 LEU A 8 -20.213 5.037 -0.031 1.00 0.00 C ATOM 0 H LEU A 8 -21.377 8.194 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 8 -20.254 7.441 1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -19.220 7.438 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -18.086 7.699 0.446 1.00 0.00 H new ATOM 0 HG LEU A 8 -18.114 5.364 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.519 4.329 1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -17.651 5.876 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -19.388 5.791 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -20.112 3.962 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -21.043 5.410 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -20.406 5.241 -1.084 1.00 0.00 H new ATOM 85 N GLU A 9 -18.908 9.602 2.274 1.00 0.00 N ATOM 86 CA GLU A 9 -18.452 10.942 2.626 1.00 0.00 C ATOM 87 C GLU A 9 -17.149 10.883 3.417 1.00 0.00 C ATOM 88 O GLU A 9 -17.106 10.345 4.523 1.00 0.00 O ATOM 89 CB GLU A 9 -19.523 11.671 3.440 1.00 0.00 C ATOM 90 CG GLU A 9 -19.797 11.036 4.793 1.00 0.00 C ATOM 91 CD GLU A 9 -21.134 11.454 5.374 1.00 0.00 C ATOM 92 OE1 GLU A 9 -21.288 12.645 5.714 1.00 0.00 O ATOM 93 OE2 GLU A 9 -22.027 10.588 5.488 1.00 0.00 O ATOM 0 H GLU A 9 -18.535 8.860 2.866 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.271 11.491 1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -19.212 12.705 3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -20.449 11.696 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -19.772 9.951 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -19.002 11.310 5.487 1.00 0.00 H new ATOM 100 N GLU A 10 -16.088 11.440 2.841 1.00 0.00 N ATOM 101 CA GLU A 10 -14.783 11.450 3.492 1.00 0.00 C ATOM 102 C GLU A 10 -14.149 12.836 3.419 1.00 0.00 C ATOM 103 O GLU A 10 -14.687 13.744 2.786 1.00 0.00 O ATOM 104 CB GLU A 10 -13.857 10.418 2.843 1.00 0.00 C ATOM 105 CG GLU A 10 -14.037 9.011 3.388 1.00 0.00 C ATOM 106 CD GLU A 10 -13.824 8.935 4.887 1.00 0.00 C ATOM 107 OE1 GLU A 10 -13.097 9.794 5.429 1.00 0.00 O ATOM 108 OE2 GLU A 10 -14.385 8.016 5.520 1.00 0.00 O ATOM 0 H GLU A 10 -16.107 11.890 1.926 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.926 11.190 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.035 10.408 1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.822 10.727 2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.040 8.658 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.336 8.340 2.891 1.00 0.00 H new ATOM 115 N PHE A 11 -13.002 12.990 4.072 1.00 0.00 N ATOM 116 CA PHE A 11 -12.294 14.265 4.083 1.00 0.00 C ATOM 117 C PHE A 11 -11.862 14.660 2.674 1.00 0.00 C ATOM 118 O PHE A 11 -11.631 13.804 1.820 1.00 0.00 O ATOM 119 CB PHE A 11 -11.071 14.185 5.000 1.00 0.00 C ATOM 120 CG PHE A 11 -9.834 13.689 4.307 1.00 0.00 C ATOM 121 CD1 PHE A 11 -9.845 12.486 3.619 1.00 0.00 C ATOM 122 CD2 PHE A 11 -8.661 14.424 4.345 1.00 0.00 C ATOM 123 CE1 PHE A 11 -8.709 12.026 2.981 1.00 0.00 C ATOM 124 CE2 PHE A 11 -7.521 13.969 3.708 1.00 0.00 C ATOM 125 CZ PHE A 11 -7.545 12.769 3.026 1.00 0.00 C ATOM 0 H PHE A 11 -12.543 12.248 4.600 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.975 15.027 4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.873 15.173 5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.298 13.526 5.838 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -10.752 11.901 3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.636 15.363 4.878 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.731 11.087 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.613 14.552 3.744 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.656 12.412 2.529 1.00 0.00 H new ATOM 135 N LYS A 12 -11.756 15.963 2.438 1.00 0.00 N ATOM 136 CA LYS A 12 -11.352 16.474 1.134 1.00 0.00 C ATOM 137 C LYS A 12 -9.958 15.979 0.763 1.00 0.00 C ATOM 138 O LYS A 12 -8.970 16.346 1.398 1.00 0.00 O ATOM 139 CB LYS A 12 -11.378 18.004 1.132 1.00 0.00 C ATOM 140 CG LYS A 12 -12.712 18.589 0.701 1.00 0.00 C ATOM 141 CD LYS A 12 -13.640 18.795 1.886 1.00 0.00 C ATOM 142 CE LYS A 12 -14.484 17.558 2.155 1.00 0.00 C ATOM 143 NZ LYS A 12 -15.592 17.839 3.109 1.00 0.00 N ATOM 0 H LYS A 12 -11.944 16.685 3.134 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.059 16.103 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.139 18.364 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.597 18.371 0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.547 19.541 0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.185 17.924 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.052 19.036 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.292 19.647 1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -14.898 17.190 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.851 16.767 2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.143 16.971 3.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.197 18.166 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.211 18.576 2.715 1.00 0.00 H new ATOM 157 N ASN A 13 -9.886 15.145 -0.269 1.00 0.00 N ATOM 158 CA ASN A 13 -8.612 14.600 -0.724 1.00 0.00 C ATOM 159 C ASN A 13 -7.575 15.707 -0.891 1.00 0.00 C ATOM 160 O ASN A 13 -7.907 16.830 -1.270 1.00 0.00 O ATOM 161 CB ASN A 13 -8.796 13.855 -2.048 1.00 0.00 C ATOM 162 CG ASN A 13 -7.573 13.043 -2.429 1.00 0.00 C ATOM 163 OD1 ASN A 13 -7.103 12.208 -1.656 1.00 0.00 O ATOM 164 ND2 ASN A 13 -7.051 13.285 -3.626 1.00 0.00 N ATOM 0 H ASN A 13 -10.695 14.832 -0.806 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.254 13.901 0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.659 13.193 -1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.013 14.573 -2.839 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.228 12.769 -3.937 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.473 13.986 -4.234 1.00 0.00 H new ATOM 171 N SER A 14 -6.319 15.382 -0.605 1.00 0.00 N ATOM 172 CA SER A 14 -5.233 16.349 -0.720 1.00 0.00 C ATOM 173 C SER A 14 -4.847 16.561 -2.180 1.00 0.00 C ATOM 174 O SER A 14 -5.369 15.896 -3.075 1.00 0.00 O ATOM 175 CB SER A 14 -4.016 15.879 0.078 1.00 0.00 C ATOM 176 OG SER A 14 -4.370 15.575 1.416 1.00 0.00 O ATOM 0 H SER A 14 -6.027 14.456 -0.292 1.00 0.00 H new ATOM 0 HA SER A 14 -5.581 17.298 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.584 14.998 -0.396 1.00 0.00 H new ATOM 0 HB3 SER A 14 -3.249 16.654 0.068 1.00 0.00 H new ATOM 0 HG SER A 14 -3.575 15.275 1.905 1.00 0.00 H new ATOM 182 N SER A 15 -3.929 17.493 -2.414 1.00 0.00 N ATOM 183 CA SER A 15 -3.474 17.797 -3.765 1.00 0.00 C ATOM 184 C SER A 15 -2.301 16.904 -4.158 1.00 0.00 C ATOM 185 O SER A 15 -2.302 16.290 -5.225 1.00 0.00 O ATOM 186 CB SER A 15 -3.067 19.268 -3.871 1.00 0.00 C ATOM 187 OG SER A 15 -4.178 20.082 -4.202 1.00 0.00 O ATOM 0 H SER A 15 -3.485 18.051 -1.685 1.00 0.00 H new ATOM 0 HA SER A 15 -4.300 17.606 -4.450 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.639 19.599 -2.925 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.291 19.380 -4.629 1.00 0.00 H new ATOM 0 HG SER A 15 -3.892 21.017 -4.262 1.00 0.00 H new ATOM 193 N LYS A 16 -1.300 16.836 -3.286 1.00 0.00 N ATOM 194 CA LYS A 16 -0.120 16.017 -3.538 1.00 0.00 C ATOM 195 C LYS A 16 0.594 16.469 -4.808 1.00 0.00 C ATOM 196 O LYS A 16 1.044 15.645 -5.606 1.00 0.00 O ATOM 197 CB LYS A 16 -0.512 14.543 -3.657 1.00 0.00 C ATOM 198 CG LYS A 16 -1.140 13.977 -2.395 1.00 0.00 C ATOM 199 CD LYS A 16 -1.297 12.468 -2.479 1.00 0.00 C ATOM 200 CE LYS A 16 -2.420 12.077 -3.428 1.00 0.00 C ATOM 201 NZ LYS A 16 -1.958 12.024 -4.843 1.00 0.00 N ATOM 0 H LYS A 16 -1.283 17.338 -2.398 1.00 0.00 H new ATOM 0 HA LYS A 16 0.562 16.137 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.212 14.428 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.374 13.959 -3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.522 14.232 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.115 14.437 -2.235 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.362 12.022 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.501 12.066 -1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.817 11.104 -3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.236 12.794 -3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.444 12.760 -5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.931 12.186 -4.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.176 11.090 -5.245 1.00 0.00 H new ATOM 215 N LEU A 17 0.695 17.781 -4.990 1.00 0.00 N ATOM 216 CA LEU A 17 1.356 18.342 -6.164 1.00 0.00 C ATOM 217 C LEU A 17 2.844 18.555 -5.901 1.00 0.00 C ATOM 218 O LEU A 17 3.257 19.620 -5.442 1.00 0.00 O ATOM 219 CB LEU A 17 0.701 19.667 -6.558 1.00 0.00 C ATOM 220 CG LEU A 17 -0.714 19.572 -7.128 1.00 0.00 C ATOM 221 CD1 LEU A 17 -1.430 20.908 -7.004 1.00 0.00 C ATOM 222 CD2 LEU A 17 -0.674 19.119 -8.580 1.00 0.00 C ATOM 0 H LEU A 17 0.328 18.476 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 17 1.249 17.633 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.675 20.312 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.336 20.158 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.269 18.831 -6.552 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.436 20.821 -7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.490 21.192 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.878 21.669 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.690 19.057 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.102 19.836 -9.169 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.201 18.139 -8.643 1.00 0.00 H new ATOM 234 N VAL A 18 3.644 17.535 -6.196 1.00 0.00 N ATOM 235 CA VAL A 18 5.086 17.612 -5.995 1.00 0.00 C ATOM 236 C VAL A 18 5.827 16.720 -6.985 1.00 0.00 C ATOM 237 O VAL A 18 5.383 15.614 -7.293 1.00 0.00 O ATOM 238 CB VAL A 18 5.475 17.203 -4.562 1.00 0.00 C ATOM 239 CG1 VAL A 18 6.985 17.256 -4.383 1.00 0.00 C ATOM 240 CG2 VAL A 18 4.778 18.095 -3.546 1.00 0.00 C ATOM 0 H VAL A 18 3.318 16.646 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 18 5.374 18.650 -6.160 1.00 0.00 H new ATOM 0 HB VAL A 18 5.149 16.176 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.241 16.964 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.459 16.572 -5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.338 18.270 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.064 17.792 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.072 19.132 -3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.698 18.001 -3.660 1.00 0.00 H new ATOM 250 N ALA A 19 6.959 17.209 -7.481 1.00 0.00 N ATOM 251 CA ALA A 19 7.764 16.455 -8.434 1.00 0.00 C ATOM 252 C ALA A 19 8.684 15.471 -7.719 1.00 0.00 C ATOM 253 O ALA A 19 9.522 15.867 -6.910 1.00 0.00 O ATOM 254 CB ALA A 19 8.575 17.403 -9.305 1.00 0.00 C ATOM 0 H ALA A 19 7.339 18.124 -7.239 1.00 0.00 H new ATOM 0 HA ALA A 19 7.089 15.883 -9.070 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.172 16.827 -10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.900 18.062 -9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.235 18.000 -8.676 1.00 0.00 H new ATOM 260 N ALA A 20 8.521 14.188 -8.024 1.00 0.00 N ATOM 261 CA ALA A 20 9.339 13.148 -7.411 1.00 0.00 C ATOM 262 C ALA A 20 10.821 13.389 -7.674 1.00 0.00 C ATOM 263 O ALA A 20 11.259 13.433 -8.823 1.00 0.00 O ATOM 264 CB ALA A 20 8.925 11.778 -7.929 1.00 0.00 C ATOM 0 H ALA A 20 7.831 13.844 -8.691 1.00 0.00 H new ATOM 0 HA ALA A 20 9.178 13.181 -6.333 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.544 11.011 -7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.878 11.598 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.056 11.743 -9.010 1.00 0.00 H new ATOM 270 N ALA A 21 11.589 13.546 -6.601 1.00 0.00 N ATOM 271 CA ALA A 21 13.023 13.781 -6.715 1.00 0.00 C ATOM 272 C ALA A 21 13.695 13.756 -5.347 1.00 0.00 C ATOM 273 O ALA A 21 13.042 13.946 -4.321 1.00 0.00 O ATOM 274 CB ALA A 21 13.286 15.110 -7.409 1.00 0.00 C ATOM 0 H ALA A 21 11.242 13.515 -5.642 1.00 0.00 H new ATOM 0 HA ALA A 21 13.451 12.978 -7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.361 15.273 -7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 21 12.848 15.092 -8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.838 15.918 -6.830 1.00 0.00 H new ATOM 280 N GLU A 22 15.003 13.518 -5.339 1.00 0.00 N ATOM 281 CA GLU A 22 15.762 13.466 -4.095 1.00 0.00 C ATOM 282 C GLU A 22 15.239 14.493 -3.095 1.00 0.00 C ATOM 283 O GLU A 22 15.394 15.699 -3.288 1.00 0.00 O ATOM 284 CB GLU A 22 17.247 13.712 -4.367 1.00 0.00 C ATOM 285 CG GLU A 22 17.976 12.497 -4.914 1.00 0.00 C ATOM 286 CD GLU A 22 19.478 12.584 -4.727 1.00 0.00 C ATOM 287 OE1 GLU A 22 19.921 12.831 -3.587 1.00 0.00 O ATOM 288 OE2 GLU A 22 20.211 12.405 -5.723 1.00 0.00 O ATOM 0 H GLU A 22 15.559 13.358 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 22 15.639 12.472 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 22 17.346 14.534 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.729 14.028 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.603 11.601 -4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 22 17.751 12.391 -5.975 1.00 0.00 H new ATOM 295 N LYS A 23 14.618 14.007 -2.026 1.00 0.00 N ATOM 296 CA LYS A 23 14.072 14.881 -0.994 1.00 0.00 C ATOM 297 C LYS A 23 14.140 14.214 0.376 1.00 0.00 C ATOM 298 O LYS A 23 13.995 12.998 0.491 1.00 0.00 O ATOM 299 CB LYS A 23 12.623 15.248 -1.322 1.00 0.00 C ATOM 300 CG LYS A 23 11.704 14.045 -1.449 1.00 0.00 C ATOM 301 CD LYS A 23 10.246 14.437 -1.284 1.00 0.00 C ATOM 302 CE LYS A 23 9.315 13.371 -1.841 1.00 0.00 C ATOM 303 NZ LYS A 23 9.320 12.138 -1.005 1.00 0.00 N ATOM 0 H LYS A 23 14.480 13.012 -1.851 1.00 0.00 H new ATOM 0 HA LYS A 23 14.674 15.789 -0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.239 15.907 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.602 15.811 -2.255 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.848 13.577 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.969 13.302 -0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.028 14.596 -0.228 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.063 15.383 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.301 13.768 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.616 13.121 -2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.673 11.436 -1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.282 11.745 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.008 12.371 -0.041 1.00 0.00 H new ATOM 317 N GLU A 24 14.361 15.019 1.410 1.00 0.00 N ATOM 318 CA GLU A 24 14.448 14.505 2.772 1.00 0.00 C ATOM 319 C GLU A 24 13.207 14.882 3.576 1.00 0.00 C ATOM 320 O GLU A 24 12.433 15.750 3.172 1.00 0.00 O ATOM 321 CB GLU A 24 15.701 15.044 3.466 1.00 0.00 C ATOM 322 CG GLU A 24 16.998 14.534 2.861 1.00 0.00 C ATOM 323 CD GLU A 24 17.327 13.119 3.297 1.00 0.00 C ATOM 324 OE1 GLU A 24 17.417 12.881 4.520 1.00 0.00 O ATOM 325 OE2 GLU A 24 17.495 12.250 2.416 1.00 0.00 O ATOM 0 H GLU A 24 14.483 16.029 1.331 1.00 0.00 H new ATOM 0 HA GLU A 24 14.510 13.418 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.692 16.133 3.420 1.00 0.00 H new ATOM 0 HB3 GLU A 24 15.669 14.769 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.926 14.568 1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.814 15.198 3.147 1.00 0.00 H new ATOM 332 N ARG A 25 13.024 14.222 4.716 1.00 0.00 N ATOM 333 CA ARG A 25 11.877 14.486 5.576 1.00 0.00 C ATOM 334 C ARG A 25 11.516 15.968 5.561 1.00 0.00 C ATOM 335 O ARG A 25 12.245 16.802 6.100 1.00 0.00 O ATOM 336 CB ARG A 25 12.172 14.037 7.008 1.00 0.00 C ATOM 337 CG ARG A 25 11.074 14.392 7.996 1.00 0.00 C ATOM 338 CD ARG A 25 11.617 14.517 9.411 1.00 0.00 C ATOM 339 NE ARG A 25 12.305 15.788 9.623 1.00 0.00 N ATOM 340 CZ ARG A 25 13.618 15.943 9.495 1.00 0.00 C ATOM 341 NH1 ARG A 25 14.381 14.913 9.157 1.00 0.00 N ATOM 342 NH2 ARG A 25 14.170 17.131 9.705 1.00 0.00 N ATOM 0 H ARG A 25 13.656 13.501 5.065 1.00 0.00 H new ATOM 0 HA ARG A 25 11.029 13.919 5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.322 12.957 7.017 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.106 14.492 7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.607 15.331 7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.298 13.627 7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.797 14.425 10.123 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.305 13.695 9.609 1.00 0.00 H new ATOM 0 HE ARG A 25 11.747 16.601 9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.960 13.998 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.389 15.035 9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.586 17.926 9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.178 17.249 9.607 1.00 0.00 H new ATOM 356 N LEU A 26 10.386 16.290 4.940 1.00 0.00 N ATOM 357 CA LEU A 26 9.928 17.672 4.854 1.00 0.00 C ATOM 358 C LEU A 26 8.451 17.780 5.222 1.00 0.00 C ATOM 359 O LEU A 26 8.034 18.733 5.880 1.00 0.00 O ATOM 360 CB LEU A 26 10.154 18.219 3.443 1.00 0.00 C ATOM 361 CG LEU A 26 9.147 17.774 2.381 1.00 0.00 C ATOM 362 CD1 LEU A 26 9.239 18.664 1.152 1.00 0.00 C ATOM 363 CD2 LEU A 26 9.377 16.317 2.005 1.00 0.00 C ATOM 0 H LEU A 26 9.771 15.613 4.489 1.00 0.00 H new ATOM 0 HA LEU A 26 10.505 18.264 5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.144 19.308 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.151 17.924 3.116 1.00 0.00 H new ATOM 0 HG LEU A 26 8.144 17.867 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.515 18.332 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.024 19.695 1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.244 18.604 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.652 16.018 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.385 16.198 1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.259 15.690 2.889 1.00 0.00 H new ATOM 375 N ASP A 27 7.667 16.796 4.796 1.00 0.00 N ATOM 376 CA ASP A 27 6.238 16.778 5.084 1.00 0.00 C ATOM 377 C ASP A 27 5.973 16.247 6.490 1.00 0.00 C ATOM 378 O ASP A 27 6.861 15.681 7.129 1.00 0.00 O ATOM 379 CB ASP A 27 5.499 15.922 4.054 1.00 0.00 C ATOM 380 CG ASP A 27 5.189 16.686 2.782 1.00 0.00 C ATOM 381 OD1 ASP A 27 6.133 17.228 2.171 1.00 0.00 O ATOM 382 OD2 ASP A 27 4.001 16.742 2.398 1.00 0.00 O ATOM 0 H ASP A 27 7.997 16.000 4.250 1.00 0.00 H new ATOM 0 HA ASP A 27 5.868 17.802 5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.104 15.048 3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.570 15.556 4.490 1.00 0.00 H new ATOM 387 N LYS A 28 4.747 16.435 6.966 1.00 0.00 N ATOM 388 CA LYS A 28 4.364 15.975 8.296 1.00 0.00 C ATOM 389 C LYS A 28 3.827 14.548 8.244 1.00 0.00 C ATOM 390 O LYS A 28 2.867 14.210 8.937 1.00 0.00 O ATOM 391 CB LYS A 28 3.309 16.907 8.896 1.00 0.00 C ATOM 392 CG LYS A 28 3.249 16.862 10.413 1.00 0.00 C ATOM 393 CD LYS A 28 2.737 18.170 10.990 1.00 0.00 C ATOM 394 CE LYS A 28 3.169 18.348 12.437 1.00 0.00 C ATOM 395 NZ LYS A 28 2.886 19.723 12.936 1.00 0.00 N ATOM 0 H LYS A 28 4.001 16.903 6.451 1.00 0.00 H new ATOM 0 HA LYS A 28 5.252 15.987 8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.517 17.929 8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.331 16.642 8.494 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.599 16.045 10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.242 16.652 10.811 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.109 19.003 10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.649 18.195 10.928 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.651 17.621 13.063 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.236 18.142 12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.195 19.804 13.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.400 20.416 12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.865 19.911 12.876 1.00 0.00 H new ATOM 409 N HIS A 29 4.454 13.714 7.420 1.00 0.00 N ATOM 410 CA HIS A 29 4.040 12.322 7.281 1.00 0.00 C ATOM 411 C HIS A 29 5.175 11.377 7.663 1.00 0.00 C ATOM 412 O HIS A 29 5.817 10.779 6.798 1.00 0.00 O ATOM 413 CB HIS A 29 3.590 12.044 5.847 1.00 0.00 C ATOM 414 CG HIS A 29 2.124 12.256 5.627 1.00 0.00 C ATOM 415 ND1 HIS A 29 1.416 13.282 6.217 1.00 0.00 N ATOM 416 CD2 HIS A 29 1.232 11.569 4.875 1.00 0.00 C ATOM 417 CE1 HIS A 29 0.151 13.215 5.839 1.00 0.00 C ATOM 418 NE2 HIS A 29 0.014 12.185 5.024 1.00 0.00 N ATOM 0 H HIS A 29 5.250 13.978 6.839 1.00 0.00 H new ATOM 0 HA HIS A 29 3.203 12.148 7.957 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.148 12.689 5.168 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.843 11.016 5.589 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.440 10.699 4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.636 13.888 6.145 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -0.856 11.894 4.578 1.00 0.00 H new ATOM 426 N LEU A 30 5.419 11.248 8.963 1.00 0.00 N ATOM 427 CA LEU A 30 6.477 10.376 9.460 1.00 0.00 C ATOM 428 C LEU A 30 5.984 8.938 9.584 1.00 0.00 C ATOM 429 O LEU A 30 6.685 7.996 9.215 1.00 0.00 O ATOM 430 CB LEU A 30 6.980 10.874 10.816 1.00 0.00 C ATOM 431 CG LEU A 30 8.023 11.991 10.776 1.00 0.00 C ATOM 432 CD1 LEU A 30 9.354 11.461 10.265 1.00 0.00 C ATOM 433 CD2 LEU A 30 7.537 13.143 9.908 1.00 0.00 C ATOM 0 H LEU A 30 4.898 11.736 9.692 1.00 0.00 H new ATOM 0 HA LEU A 30 7.299 10.398 8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.124 11.224 11.392 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.404 10.028 11.357 1.00 0.00 H new ATOM 0 HG LEU A 30 8.169 12.362 11.790 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.084 12.270 10.244 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.709 10.670 10.926 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.225 11.062 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.292 13.929 9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.362 12.785 8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.608 13.541 10.318 1.00 0.00 H new ATOM 445 N GLY A 31 4.772 8.776 10.106 1.00 0.00 N ATOM 446 CA GLY A 31 4.205 7.450 10.268 1.00 0.00 C ATOM 447 C GLY A 31 5.248 6.356 10.158 1.00 0.00 C ATOM 448 O GLY A 31 6.131 6.243 11.009 1.00 0.00 O ATOM 0 H GLY A 31 4.173 9.539 10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.715 7.384 11.239 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.436 7.292 9.512 1.00 0.00 H new ATOM 452 N ILE A 32 5.147 5.547 9.108 1.00 0.00 N ATOM 453 CA ILE A 32 6.089 4.456 8.891 1.00 0.00 C ATOM 454 C ILE A 32 6.398 4.284 7.408 1.00 0.00 C ATOM 455 O ILE A 32 5.515 4.347 6.553 1.00 0.00 O ATOM 456 CB ILE A 32 5.549 3.126 9.449 1.00 0.00 C ATOM 457 CG1 ILE A 32 5.198 3.275 10.931 1.00 0.00 C ATOM 458 CG2 ILE A 32 6.569 2.015 9.249 1.00 0.00 C ATOM 459 CD1 ILE A 32 4.128 2.313 11.398 1.00 0.00 C ATOM 0 H ILE A 32 4.422 5.627 8.395 1.00 0.00 H new ATOM 0 HA ILE A 32 7.004 4.719 9.423 1.00 0.00 H new ATOM 0 HB ILE A 32 4.642 2.862 8.905 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.098 3.122 11.526 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.863 4.296 11.116 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.173 1.081 9.648 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.774 1.897 8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.492 2.270 9.770 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.930 2.475 12.458 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.214 2.481 10.828 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.468 1.289 11.245 1.00 0.00 H new ATOM 471 N PRO A 33 7.683 4.060 7.093 1.00 0.00 N ATOM 472 CA PRO A 33 8.138 3.871 5.713 1.00 0.00 C ATOM 473 C PRO A 33 7.660 2.550 5.120 1.00 0.00 C ATOM 474 O PRO A 33 7.397 1.591 5.846 1.00 0.00 O ATOM 475 CB PRO A 33 9.664 3.880 5.838 1.00 0.00 C ATOM 476 CG PRO A 33 9.931 3.444 7.238 1.00 0.00 C ATOM 477 CD PRO A 33 8.789 3.972 8.061 1.00 0.00 C ATOM 0 HA PRO A 33 7.747 4.639 5.046 1.00 0.00 H new ATOM 0 HB2 PRO A 33 10.124 3.204 5.118 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.071 4.873 5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.990 2.358 7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 33 10.883 3.837 7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.547 3.304 8.888 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.022 4.945 8.494 1.00 0.00 H new ATOM 485 N CYS A 34 7.550 2.506 3.796 1.00 0.00 N ATOM 486 CA CYS A 34 7.104 1.303 3.105 1.00 0.00 C ATOM 487 C CYS A 34 8.135 0.186 3.236 1.00 0.00 C ATOM 488 O CYS A 34 9.334 0.442 3.331 1.00 0.00 O ATOM 489 CB CYS A 34 6.847 1.604 1.627 1.00 0.00 C ATOM 490 SG CYS A 34 5.827 0.355 0.780 1.00 0.00 S ATOM 0 H CYS A 34 7.764 3.291 3.180 1.00 0.00 H new ATOM 0 HA CYS A 34 6.175 0.972 3.568 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.357 2.574 1.545 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.804 1.686 1.112 1.00 0.00 H new ATOM 495 N ASN A 35 7.658 -1.055 3.241 1.00 0.00 N ATOM 496 CA ASN A 35 8.538 -2.212 3.362 1.00 0.00 C ATOM 497 C ASN A 35 8.880 -2.780 1.988 1.00 0.00 C ATOM 498 O ASN A 35 9.819 -3.561 1.844 1.00 0.00 O ATOM 499 CB ASN A 35 7.880 -3.291 4.223 1.00 0.00 C ATOM 500 CG ASN A 35 8.896 -4.125 4.980 1.00 0.00 C ATOM 501 OD1 ASN A 35 9.460 -3.679 5.979 1.00 0.00 O ATOM 502 ND2 ASN A 35 9.133 -5.343 4.506 1.00 0.00 N ATOM 0 H ASN A 35 6.667 -1.285 3.163 1.00 0.00 H new ATOM 0 HA ASN A 35 9.461 -1.887 3.842 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.199 -2.821 4.932 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.279 -3.943 3.588 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.806 -5.950 4.974 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.642 -5.671 3.674 1.00 0.00 H new ATOM 509 N ASN A 36 8.110 -2.381 0.980 1.00 0.00 N ATOM 510 CA ASN A 36 8.332 -2.850 -0.383 1.00 0.00 C ATOM 511 C ASN A 36 9.190 -1.861 -1.166 1.00 0.00 C ATOM 512 O ASN A 36 10.365 -2.116 -1.431 1.00 0.00 O ATOM 513 CB ASN A 36 6.994 -3.058 -1.096 1.00 0.00 C ATOM 514 CG ASN A 36 7.105 -4.020 -2.264 1.00 0.00 C ATOM 515 OD1 ASN A 36 6.968 -5.232 -2.099 1.00 0.00 O ATOM 516 ND2 ASN A 36 7.355 -3.482 -3.452 1.00 0.00 N ATOM 0 H ASN A 36 7.328 -1.735 1.082 1.00 0.00 H new ATOM 0 HA ASN A 36 8.862 -3.801 -0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.261 -3.438 -0.384 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.623 -2.098 -1.454 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.441 -4.079 -4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.461 -2.472 -3.542 1.00 0.00 H new ATOM 523 N CYS A 37 8.595 -0.732 -1.534 1.00 0.00 N ATOM 524 CA CYS A 37 9.304 0.297 -2.286 1.00 0.00 C ATOM 525 C CYS A 37 10.228 1.098 -1.374 1.00 0.00 C ATOM 526 O CYS A 37 11.214 1.679 -1.827 1.00 0.00 O ATOM 527 CB CYS A 37 8.307 1.234 -2.972 1.00 0.00 C ATOM 528 SG CYS A 37 7.419 2.339 -1.829 1.00 0.00 S ATOM 0 H CYS A 37 7.623 -0.506 -1.324 1.00 0.00 H new ATOM 0 HA CYS A 37 9.911 -0.196 -3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.839 1.839 -3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.580 0.635 -3.520 1.00 0.00 H new ATOM 533 N LYS A 38 9.902 1.125 -0.086 1.00 0.00 N ATOM 534 CA LYS A 38 10.702 1.853 0.891 1.00 0.00 C ATOM 535 C LYS A 38 10.564 3.360 0.693 1.00 0.00 C ATOM 536 O LYS A 38 11.541 4.100 0.800 1.00 0.00 O ATOM 537 CB LYS A 38 12.173 1.446 0.781 1.00 0.00 C ATOM 538 CG LYS A 38 12.391 -0.056 0.804 1.00 0.00 C ATOM 539 CD LYS A 38 12.042 -0.650 2.158 1.00 0.00 C ATOM 540 CE LYS A 38 12.866 -1.894 2.451 1.00 0.00 C ATOM 541 NZ LYS A 38 12.315 -2.668 3.598 1.00 0.00 N ATOM 0 H LYS A 38 9.088 0.650 0.305 1.00 0.00 H new ATOM 0 HA LYS A 38 10.335 1.600 1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.585 1.850 -0.143 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.729 1.898 1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 38 11.781 -0.525 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.431 -0.277 0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.213 0.093 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.981 -0.901 2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.893 -2.528 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.894 -1.605 2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.991 -3.408 3.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.154 -2.029 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.415 -3.108 3.319 1.00 0.00 H new ATOM 555 N GLN A 39 9.345 3.805 0.407 1.00 0.00 N ATOM 556 CA GLN A 39 9.080 5.223 0.196 1.00 0.00 C ATOM 557 C GLN A 39 8.917 5.951 1.526 1.00 0.00 C ATOM 558 O GLN A 39 8.013 5.648 2.304 1.00 0.00 O ATOM 559 CB GLN A 39 7.824 5.408 -0.658 1.00 0.00 C ATOM 560 CG GLN A 39 7.552 6.856 -1.033 1.00 0.00 C ATOM 561 CD GLN A 39 6.560 6.986 -2.173 1.00 0.00 C ATOM 562 OE1 GLN A 39 6.946 7.116 -3.335 1.00 0.00 O ATOM 563 NE2 GLN A 39 5.274 6.951 -1.845 1.00 0.00 N ATOM 0 H GLN A 39 8.526 3.204 0.316 1.00 0.00 H new ATOM 0 HA GLN A 39 9.934 5.651 -0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.924 4.818 -1.569 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.964 5.014 -0.116 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.170 7.388 -0.161 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.489 7.337 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.999 6.842 -0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.561 7.033 -2.569 1.00 0.00 H new ATOM 572 N PHE A 40 9.799 6.912 1.781 1.00 0.00 N ATOM 573 CA PHE A 40 9.754 7.682 3.019 1.00 0.00 C ATOM 574 C PHE A 40 10.215 9.117 2.783 1.00 0.00 C ATOM 575 O PHE A 40 11.290 9.369 2.238 1.00 0.00 O ATOM 576 CB PHE A 40 10.628 7.022 4.087 1.00 0.00 C ATOM 577 CG PHE A 40 10.135 7.248 5.488 1.00 0.00 C ATOM 578 CD1 PHE A 40 8.807 7.024 5.814 1.00 0.00 C ATOM 579 CD2 PHE A 40 10.999 7.684 6.479 1.00 0.00 C ATOM 580 CE1 PHE A 40 8.350 7.230 7.102 1.00 0.00 C ATOM 581 CE2 PHE A 40 10.549 7.891 7.769 1.00 0.00 C ATOM 582 CZ PHE A 40 9.222 7.665 8.080 1.00 0.00 C ATOM 0 H PHE A 40 10.553 7.176 1.147 1.00 0.00 H new ATOM 0 HA PHE A 40 8.721 7.703 3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.675 5.950 3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.645 7.406 4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 40 8.121 6.684 5.052 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.037 7.864 6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.313 7.051 7.343 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.234 8.229 8.533 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.867 7.828 9.087 1.00 0.00 H new ATOM 592 N PRO A 41 9.383 10.082 3.203 1.00 0.00 N ATOM 593 CA PRO A 41 8.101 9.794 3.853 1.00 0.00 C ATOM 594 C PRO A 41 7.082 9.200 2.887 1.00 0.00 C ATOM 595 O PRO A 41 7.287 9.207 1.673 1.00 0.00 O ATOM 596 CB PRO A 41 7.636 11.167 4.344 1.00 0.00 C ATOM 597 CG PRO A 41 8.304 12.141 3.436 1.00 0.00 C ATOM 598 CD PRO A 41 9.630 11.528 3.076 1.00 0.00 C ATOM 0 HA PRO A 41 8.204 9.055 4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 41 6.551 11.259 4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.922 11.334 5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.702 12.320 2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.440 13.104 3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.935 11.796 2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 41 10.422 11.861 3.747 1.00 0.00 H new ATOM 606 N ILE A 42 5.984 8.688 3.433 1.00 0.00 N ATOM 607 CA ILE A 42 4.933 8.092 2.619 1.00 0.00 C ATOM 608 C ILE A 42 3.782 9.070 2.405 1.00 0.00 C ATOM 609 O ILE A 42 2.959 9.278 3.296 1.00 0.00 O ATOM 610 CB ILE A 42 4.385 6.804 3.261 1.00 0.00 C ATOM 611 CG1 ILE A 42 5.449 5.705 3.239 1.00 0.00 C ATOM 612 CG2 ILE A 42 3.127 6.346 2.538 1.00 0.00 C ATOM 613 CD1 ILE A 42 4.943 4.364 3.724 1.00 0.00 C ATOM 0 H ILE A 42 5.800 8.674 4.436 1.00 0.00 H new ATOM 0 HA ILE A 42 5.381 7.846 1.656 1.00 0.00 H new ATOM 0 HB ILE A 42 4.128 7.014 4.299 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.826 5.596 2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.291 6.013 3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.751 5.435 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.367 7.125 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.360 6.150 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.751 3.633 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.593 4.457 4.752 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.121 4.034 3.089 1.00 0.00 H new ATOM 625 N GLU A 43 3.731 9.665 1.218 1.00 0.00 N ATOM 626 CA GLU A 43 2.679 10.620 0.887 1.00 0.00 C ATOM 627 C GLU A 43 1.309 9.950 0.911 1.00 0.00 C ATOM 628 O GLU A 43 0.328 10.533 1.372 1.00 0.00 O ATOM 629 CB GLU A 43 2.934 11.237 -0.490 1.00 0.00 C ATOM 630 CG GLU A 43 3.184 10.209 -1.580 1.00 0.00 C ATOM 631 CD GLU A 43 3.006 10.781 -2.973 1.00 0.00 C ATOM 632 OE1 GLU A 43 3.394 11.948 -3.188 1.00 0.00 O ATOM 633 OE2 GLU A 43 2.479 10.062 -3.848 1.00 0.00 O ATOM 0 H GLU A 43 4.405 9.503 0.470 1.00 0.00 H new ATOM 0 HA GLU A 43 2.691 11.410 1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.076 11.849 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.794 11.904 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.196 9.817 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.502 9.370 -1.446 1.00 0.00 H new ATOM 640 N GLY A 44 1.249 8.720 0.409 1.00 0.00 N ATOM 641 CA GLY A 44 -0.005 7.990 0.381 1.00 0.00 C ATOM 642 C GLY A 44 -0.395 7.455 1.744 1.00 0.00 C ATOM 643 O GLY A 44 0.284 7.711 2.738 1.00 0.00 O ATOM 0 H GLY A 44 2.047 8.216 0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.795 8.644 0.012 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.077 7.161 -0.322 1.00 0.00 H new ATOM 647 N LYS A 45 -1.494 6.709 1.793 1.00 0.00 N ATOM 648 CA LYS A 45 -1.974 6.135 3.044 1.00 0.00 C ATOM 649 C LYS A 45 -0.891 5.291 3.708 1.00 0.00 C ATOM 650 O LYS A 45 0.186 5.091 3.144 1.00 0.00 O ATOM 651 CB LYS A 45 -3.219 5.281 2.793 1.00 0.00 C ATOM 652 CG LYS A 45 -4.521 6.054 2.907 1.00 0.00 C ATOM 653 CD LYS A 45 -4.954 6.206 4.356 1.00 0.00 C ATOM 654 CE LYS A 45 -5.932 7.358 4.527 1.00 0.00 C ATOM 655 NZ LYS A 45 -7.255 7.059 3.911 1.00 0.00 N ATOM 0 H LYS A 45 -2.069 6.488 0.980 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.232 6.955 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.153 4.842 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.233 4.456 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.401 7.039 2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.301 5.540 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.417 5.280 4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.078 6.374 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.065 7.567 5.588 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.516 8.258 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.893 7.869 4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.132 6.884 2.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.664 6.215 4.360 1.00 0.00 H new ATOM 669 N CYS A 46 -1.183 4.796 4.905 1.00 0.00 N ATOM 670 CA CYS A 46 -0.233 3.972 5.645 1.00 0.00 C ATOM 671 C CYS A 46 -0.820 2.595 5.936 1.00 0.00 C ATOM 672 O CYS A 46 -1.612 2.429 6.864 1.00 0.00 O ATOM 673 CB CYS A 46 0.159 4.660 6.954 1.00 0.00 C ATOM 674 SG CYS A 46 1.349 3.730 7.947 1.00 0.00 S ATOM 0 H CYS A 46 -2.070 4.951 5.384 1.00 0.00 H new ATOM 0 HA CYS A 46 0.657 3.845 5.029 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.579 5.640 6.726 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.740 4.829 7.547 1.00 0.00 H new ATOM 0 HG CYS A 46 2.332 4.509 8.289 1.00 0.00 H new ATOM 680 N TYR A 47 -0.427 1.610 5.136 1.00 0.00 N ATOM 681 CA TYR A 47 -0.917 0.247 5.304 1.00 0.00 C ATOM 682 C TYR A 47 0.044 -0.576 6.157 1.00 0.00 C ATOM 683 O TYR A 47 1.245 -0.309 6.194 1.00 0.00 O ATOM 684 CB TYR A 47 -1.107 -0.421 3.942 1.00 0.00 C ATOM 685 CG TYR A 47 -2.187 0.219 3.098 1.00 0.00 C ATOM 686 CD1 TYR A 47 -1.979 1.448 2.485 1.00 0.00 C ATOM 687 CD2 TYR A 47 -3.414 -0.406 2.915 1.00 0.00 C ATOM 688 CE1 TYR A 47 -2.963 2.037 1.714 1.00 0.00 C ATOM 689 CE2 TYR A 47 -4.403 0.175 2.145 1.00 0.00 C ATOM 690 CZ TYR A 47 -4.173 1.397 1.547 1.00 0.00 C ATOM 691 OH TYR A 47 -5.155 1.979 0.779 1.00 0.00 O ATOM 0 H TYR A 47 0.230 1.730 4.365 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.879 0.294 5.815 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.164 -0.388 3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.351 -1.472 4.093 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.032 1.952 2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.598 -1.362 3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.785 2.993 1.245 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.351 -0.325 2.012 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.944 1.398 0.762 1.00 0.00 H new ATOM 701 N LYS A 48 -0.495 -1.579 6.843 1.00 0.00 N ATOM 702 CA LYS A 48 0.312 -2.444 7.695 1.00 0.00 C ATOM 703 C LYS A 48 -0.238 -3.866 7.703 1.00 0.00 C ATOM 704 O LYS A 48 -1.452 -4.073 7.725 1.00 0.00 O ATOM 705 CB LYS A 48 0.354 -1.893 9.122 1.00 0.00 C ATOM 706 CG LYS A 48 1.389 -2.569 10.005 1.00 0.00 C ATOM 707 CD LYS A 48 1.149 -2.269 11.475 1.00 0.00 C ATOM 708 CE LYS A 48 1.721 -0.915 11.868 1.00 0.00 C ATOM 709 NZ LYS A 48 1.649 -0.688 13.338 1.00 0.00 N ATOM 0 H LYS A 48 -1.488 -1.813 6.825 1.00 0.00 H new ATOM 0 HA LYS A 48 1.324 -2.468 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.564 -0.824 9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.630 -2.009 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.359 -3.646 9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.386 -2.232 9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.079 -2.287 11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.604 -3.049 12.086 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.759 -0.850 11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.174 -0.126 11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.541 -0.268 13.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.862 -0.042 13.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.493 -1.595 13.822 1.00 0.00 H new ATOM 723 N CYS A 49 0.662 -4.844 7.686 1.00 0.00 N ATOM 724 CA CYS A 49 0.267 -6.247 7.692 1.00 0.00 C ATOM 725 C CYS A 49 0.093 -6.757 9.120 1.00 0.00 C ATOM 726 O CYS A 49 0.959 -6.556 9.973 1.00 0.00 O ATOM 727 CB CYS A 49 1.308 -7.095 6.959 1.00 0.00 C ATOM 728 SG CYS A 49 0.808 -8.828 6.701 1.00 0.00 S ATOM 0 H CYS A 49 1.670 -4.690 7.668 1.00 0.00 H new ATOM 0 HA CYS A 49 -0.689 -6.332 7.176 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.515 -6.640 5.990 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.239 -7.077 7.525 1.00 0.00 H new ATOM 733 N THR A 50 -1.031 -7.419 9.374 1.00 0.00 N ATOM 734 CA THR A 50 -1.319 -7.957 10.697 1.00 0.00 C ATOM 735 C THR A 50 -0.814 -9.389 10.831 1.00 0.00 C ATOM 736 O THR A 50 -1.023 -10.038 11.855 1.00 0.00 O ATOM 737 CB THR A 50 -2.829 -7.928 10.999 1.00 0.00 C ATOM 738 OG1 THR A 50 -3.504 -8.926 10.225 1.00 0.00 O ATOM 739 CG2 THR A 50 -3.416 -6.558 10.692 1.00 0.00 C ATOM 0 H THR A 50 -1.757 -7.595 8.680 1.00 0.00 H new ATOM 0 HA THR A 50 -0.800 -7.323 11.415 1.00 0.00 H new ATOM 0 HB THR A 50 -2.968 -8.137 12.060 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.411 -8.719 9.272 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.483 -6.562 10.913 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.921 -5.805 11.305 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.265 -6.325 9.638 1.00 0.00 H new ATOM 747 N GLU A 51 -0.148 -9.876 9.789 1.00 0.00 N ATOM 748 CA GLU A 51 0.387 -11.233 9.791 1.00 0.00 C ATOM 749 C GLU A 51 1.913 -11.216 9.754 1.00 0.00 C ATOM 750 O GLU A 51 2.566 -12.155 10.210 1.00 0.00 O ATOM 751 CB GLU A 51 -0.154 -12.021 8.596 1.00 0.00 C ATOM 752 CG GLU A 51 -1.667 -12.164 8.597 1.00 0.00 C ATOM 753 CD GLU A 51 -2.131 -13.452 7.944 1.00 0.00 C ATOM 754 OE1 GLU A 51 -2.041 -14.513 8.597 1.00 0.00 O ATOM 755 OE2 GLU A 51 -2.582 -13.399 6.781 1.00 0.00 O ATOM 0 H GLU A 51 0.034 -9.352 8.933 1.00 0.00 H new ATOM 0 HA GLU A 51 0.068 -11.720 10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.155 -11.527 7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.297 -13.014 8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.031 -12.130 9.624 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.109 -11.316 8.074 1.00 0.00 H new ATOM 762 N CYS A 52 2.474 -10.143 9.208 1.00 0.00 N ATOM 763 CA CYS A 52 3.922 -10.003 9.109 1.00 0.00 C ATOM 764 C CYS A 52 4.470 -9.189 10.278 1.00 0.00 C ATOM 765 O CYS A 52 3.732 -8.824 11.193 1.00 0.00 O ATOM 766 CB CYS A 52 4.302 -9.335 7.786 1.00 0.00 C ATOM 767 SG CYS A 52 4.261 -10.455 6.350 1.00 0.00 S ATOM 0 H CYS A 52 1.948 -9.357 8.827 1.00 0.00 H new ATOM 0 HA CYS A 52 4.362 -11.000 9.144 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.623 -8.502 7.603 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.304 -8.915 7.878 1.00 0.00 H new ATOM 772 N ILE A 53 5.768 -8.909 10.239 1.00 0.00 N ATOM 773 CA ILE A 53 6.415 -8.138 11.293 1.00 0.00 C ATOM 774 C ILE A 53 6.954 -6.816 10.756 1.00 0.00 C ATOM 775 O ILE A 53 7.590 -6.777 9.703 1.00 0.00 O ATOM 776 CB ILE A 53 7.569 -8.926 11.940 1.00 0.00 C ATOM 777 CG1 ILE A 53 7.060 -10.260 12.488 1.00 0.00 C ATOM 778 CG2 ILE A 53 8.216 -8.105 13.046 1.00 0.00 C ATOM 779 CD1 ILE A 53 6.032 -10.110 13.587 1.00 0.00 C ATOM 0 H ILE A 53 6.392 -9.205 9.489 1.00 0.00 H new ATOM 0 HA ILE A 53 5.655 -7.937 12.048 1.00 0.00 H new ATOM 0 HB ILE A 53 8.321 -9.131 11.179 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.625 -10.837 11.672 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.905 -10.833 12.868 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.030 -8.675 13.494 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.609 -7.178 12.629 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.473 -7.873 13.809 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.716 -11.096 13.927 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.469 -9.561 14.421 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.169 -9.564 13.206 1.00 0.00 H new ATOM 791 N GLU A 54 6.698 -5.737 11.488 1.00 0.00 N ATOM 792 CA GLU A 54 7.159 -4.414 11.085 1.00 0.00 C ATOM 793 C GLU A 54 6.973 -4.207 9.584 1.00 0.00 C ATOM 794 O GLU A 54 7.840 -3.649 8.911 1.00 0.00 O ATOM 795 CB GLU A 54 8.631 -4.227 11.458 1.00 0.00 C ATOM 796 CG GLU A 54 9.561 -5.224 10.786 1.00 0.00 C ATOM 797 CD GLU A 54 11.006 -5.054 11.212 1.00 0.00 C ATOM 798 OE1 GLU A 54 11.540 -3.935 11.066 1.00 0.00 O ATOM 799 OE2 GLU A 54 11.602 -6.041 11.693 1.00 0.00 O ATOM 0 H GLU A 54 6.174 -5.753 12.363 1.00 0.00 H new ATOM 0 HA GLU A 54 6.561 -3.672 11.614 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.940 -3.217 11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.737 -4.316 12.539 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.233 -6.236 11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.489 -5.110 9.704 1.00 0.00 H new ATOM 806 N TYR A 55 5.837 -4.661 9.067 1.00 0.00 N ATOM 807 CA TYR A 55 5.537 -4.528 7.646 1.00 0.00 C ATOM 808 C TYR A 55 4.514 -3.422 7.406 1.00 0.00 C ATOM 809 O TYR A 55 3.483 -3.357 8.076 1.00 0.00 O ATOM 810 CB TYR A 55 5.013 -5.853 7.089 1.00 0.00 C ATOM 811 CG TYR A 55 5.319 -6.056 5.622 1.00 0.00 C ATOM 812 CD1 TYR A 55 4.442 -5.609 4.641 1.00 0.00 C ATOM 813 CD2 TYR A 55 6.486 -6.692 5.217 1.00 0.00 C ATOM 814 CE1 TYR A 55 4.717 -5.793 3.300 1.00 0.00 C ATOM 815 CE2 TYR A 55 6.769 -6.879 3.877 1.00 0.00 C ATOM 816 CZ TYR A 55 5.882 -6.428 2.923 1.00 0.00 C ATOM 817 OH TYR A 55 6.160 -6.612 1.588 1.00 0.00 O ATOM 0 H TYR A 55 5.109 -5.124 9.610 1.00 0.00 H new ATOM 0 HA TYR A 55 6.459 -4.263 7.129 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.447 -6.674 7.659 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.934 -5.898 7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.530 -5.109 4.932 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.184 -7.046 5.962 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.023 -5.441 2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.680 -7.376 3.579 1.00 0.00 H new ATOM 0 HH TYR A 55 7.019 -7.074 1.493 1.00 0.00 H new ATOM 827 N HIS A 56 4.807 -2.554 6.443 1.00 0.00 N ATOM 828 CA HIS A 56 3.913 -1.450 6.112 1.00 0.00 C ATOM 829 C HIS A 56 4.018 -1.091 4.632 1.00 0.00 C ATOM 830 O HIS A 56 5.114 -0.891 4.108 1.00 0.00 O ATOM 831 CB HIS A 56 4.238 -0.227 6.969 1.00 0.00 C ATOM 832 CG HIS A 56 4.643 -0.569 8.370 1.00 0.00 C ATOM 833 ND1 HIS A 56 5.858 -1.140 8.684 1.00 0.00 N ATOM 834 CD2 HIS A 56 3.987 -0.415 9.544 1.00 0.00 C ATOM 835 CE1 HIS A 56 5.931 -1.324 9.991 1.00 0.00 C ATOM 836 NE2 HIS A 56 4.808 -0.892 10.536 1.00 0.00 N ATOM 0 H HIS A 56 5.656 -2.594 5.879 1.00 0.00 H new ATOM 0 HA HIS A 56 2.891 -1.768 6.320 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.042 0.336 6.494 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.366 0.427 7.001 1.00 0.00 H new ATOM 0 HD1 HIS A 56 6.587 -1.383 8.013 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.001 0.005 9.676 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.767 -1.754 10.523 1.00 0.00 H new ATOM 844 N LEU A 57 2.872 -1.013 3.965 1.00 0.00 N ATOM 845 CA LEU A 57 2.835 -0.679 2.545 1.00 0.00 C ATOM 846 C LEU A 57 2.188 0.685 2.324 1.00 0.00 C ATOM 847 O LEU A 57 1.384 1.142 3.137 1.00 0.00 O ATOM 848 CB LEU A 57 2.069 -1.752 1.769 1.00 0.00 C ATOM 849 CG LEU A 57 2.860 -3.009 1.405 1.00 0.00 C ATOM 850 CD1 LEU A 57 2.000 -3.963 0.590 1.00 0.00 C ATOM 851 CD2 LEU A 57 4.124 -2.643 0.642 1.00 0.00 C ATOM 0 H LEU A 57 1.956 -1.176 4.384 1.00 0.00 H new ATOM 0 HA LEU A 57 3.861 -0.638 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.203 -2.050 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.690 -1.306 0.849 1.00 0.00 H new ATOM 0 HG LEU A 57 3.150 -3.512 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.579 -4.852 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.125 -4.252 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.678 -3.470 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.674 -3.550 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.856 -2.117 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.749 -1.999 1.261 1.00 0.00 H new ATOM 863 N CYS A 58 2.541 1.328 1.216 1.00 0.00 N ATOM 864 CA CYS A 58 1.994 2.639 0.885 1.00 0.00 C ATOM 865 C CYS A 58 0.863 2.515 -0.132 1.00 0.00 C ATOM 866 O CYS A 58 0.868 1.617 -0.973 1.00 0.00 O ATOM 867 CB CYS A 58 3.093 3.549 0.333 1.00 0.00 C ATOM 868 SG CYS A 58 3.875 2.930 -1.191 1.00 0.00 S ATOM 0 H CYS A 58 3.203 0.963 0.532 1.00 0.00 H new ATOM 0 HA CYS A 58 1.592 3.078 1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.670 4.534 0.137 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.861 3.678 1.096 1.00 0.00 H new ATOM 873 N GLN A 59 -0.103 3.423 -0.047 1.00 0.00 N ATOM 874 CA GLN A 59 -1.241 3.415 -0.959 1.00 0.00 C ATOM 875 C GLN A 59 -0.814 2.978 -2.357 1.00 0.00 C ATOM 876 O GLN A 59 -1.514 2.211 -3.017 1.00 0.00 O ATOM 877 CB GLN A 59 -1.883 4.802 -1.020 1.00 0.00 C ATOM 878 CG GLN A 59 -2.852 4.974 -2.178 1.00 0.00 C ATOM 879 CD GLN A 59 -4.123 4.167 -2.000 1.00 0.00 C ATOM 880 OE1 GLN A 59 -5.120 4.665 -1.475 1.00 0.00 O ATOM 881 NE2 GLN A 59 -4.095 2.913 -2.436 1.00 0.00 N ATOM 0 H GLN A 59 -0.121 4.173 0.644 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.972 2.700 -0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.410 4.990 -0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.098 5.553 -1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.107 6.029 -2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.362 4.674 -3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.248 2.541 -2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.921 2.322 -2.342 1.00 0.00 H new ATOM 890 N GLU A 60 0.337 3.471 -2.801 1.00 0.00 N ATOM 891 CA GLU A 60 0.855 3.131 -4.121 1.00 0.00 C ATOM 892 C GLU A 60 1.079 1.627 -4.246 1.00 0.00 C ATOM 893 O GLU A 60 0.501 0.972 -5.114 1.00 0.00 O ATOM 894 CB GLU A 60 2.165 3.877 -4.387 1.00 0.00 C ATOM 895 CG GLU A 60 2.395 4.197 -5.854 1.00 0.00 C ATOM 896 CD GLU A 60 3.390 5.324 -6.056 1.00 0.00 C ATOM 897 OE1 GLU A 60 3.250 6.366 -5.382 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.307 5.165 -6.888 1.00 0.00 O ATOM 0 H GLU A 60 0.929 4.107 -2.266 1.00 0.00 H new ATOM 0 HA GLU A 60 0.116 3.434 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 60 2.167 4.806 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.997 3.276 -4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.755 3.304 -6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.446 4.468 -6.316 1.00 0.00 H new ATOM 905 N CYS A 61 1.924 1.086 -3.375 1.00 0.00 N ATOM 906 CA CYS A 61 2.226 -0.340 -3.387 1.00 0.00 C ATOM 907 C CYS A 61 0.951 -1.168 -3.260 1.00 0.00 C ATOM 908 O CYS A 61 0.776 -2.169 -3.955 1.00 0.00 O ATOM 909 CB CYS A 61 3.189 -0.688 -2.250 1.00 0.00 C ATOM 910 SG CYS A 61 4.947 -0.458 -2.668 1.00 0.00 S ATOM 0 H CYS A 61 2.412 1.614 -2.652 1.00 0.00 H new ATOM 0 HA CYS A 61 2.698 -0.578 -4.340 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.949 -0.072 -1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.029 -1.726 -1.957 1.00 0.00 H new ATOM 915 N PHE A 62 0.063 -0.743 -2.368 1.00 0.00 N ATOM 916 CA PHE A 62 -1.197 -1.445 -2.148 1.00 0.00 C ATOM 917 C PHE A 62 -1.933 -1.667 -3.466 1.00 0.00 C ATOM 918 O PHE A 62 -2.526 -2.722 -3.689 1.00 0.00 O ATOM 919 CB PHE A 62 -2.083 -0.656 -1.182 1.00 0.00 C ATOM 920 CG PHE A 62 -3.187 -1.475 -0.577 1.00 0.00 C ATOM 921 CD1 PHE A 62 -2.898 -2.545 0.254 1.00 0.00 C ATOM 922 CD2 PHE A 62 -4.514 -1.175 -0.839 1.00 0.00 C ATOM 923 CE1 PHE A 62 -3.911 -3.300 0.813 1.00 0.00 C ATOM 924 CE2 PHE A 62 -5.532 -1.926 -0.283 1.00 0.00 C ATOM 925 CZ PHE A 62 -5.230 -2.991 0.544 1.00 0.00 C ATOM 0 H PHE A 62 0.192 0.084 -1.785 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.971 -2.417 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.463 -0.249 -0.383 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.518 0.192 -1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.869 -2.792 0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.756 -0.344 -1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.672 -4.131 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.562 -1.681 -0.495 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.024 -3.580 0.979 1.00 0.00 H new ATOM 935 N ASP A 63 -1.890 -0.664 -4.336 1.00 0.00 N ATOM 936 CA ASP A 63 -2.552 -0.748 -5.633 1.00 0.00 C ATOM 937 C ASP A 63 -2.122 -2.005 -6.382 1.00 0.00 C ATOM 938 O ASP A 63 -2.865 -2.531 -7.211 1.00 0.00 O ATOM 939 CB ASP A 63 -2.238 0.493 -6.471 1.00 0.00 C ATOM 940 CG ASP A 63 -2.881 0.442 -7.843 1.00 0.00 C ATOM 941 OD1 ASP A 63 -2.271 -0.141 -8.763 1.00 0.00 O ATOM 942 OD2 ASP A 63 -3.995 0.987 -7.997 1.00 0.00 O ATOM 0 H ASP A 63 -1.404 0.217 -4.167 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.627 -0.799 -5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.584 1.382 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.158 0.589 -6.582 1.00 0.00 H new ATOM 947 N SER A 64 -0.917 -2.481 -6.086 1.00 0.00 N ATOM 948 CA SER A 64 -0.385 -3.674 -6.735 1.00 0.00 C ATOM 949 C SER A 64 -1.262 -4.888 -6.442 1.00 0.00 C ATOM 950 O SER A 64 -1.359 -5.808 -7.255 1.00 0.00 O ATOM 951 CB SER A 64 1.047 -3.940 -6.266 1.00 0.00 C ATOM 952 OG SER A 64 1.059 -4.587 -5.006 1.00 0.00 O ATOM 0 H SER A 64 -0.290 -2.059 -5.401 1.00 0.00 H new ATOM 0 HA SER A 64 -0.381 -3.501 -7.811 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.565 -4.557 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.592 -2.998 -6.200 1.00 0.00 H new ATOM 0 HG SER A 64 0.965 -3.920 -4.295 1.00 0.00 H new ATOM 958 N TYR A 65 -1.898 -4.883 -5.276 1.00 0.00 N ATOM 959 CA TYR A 65 -2.765 -5.984 -4.873 1.00 0.00 C ATOM 960 C TYR A 65 -1.996 -7.302 -4.849 1.00 0.00 C ATOM 961 O TYR A 65 -2.390 -8.275 -5.491 1.00 0.00 O ATOM 962 CB TYR A 65 -3.958 -6.095 -5.824 1.00 0.00 C ATOM 963 CG TYR A 65 -5.063 -5.106 -5.526 1.00 0.00 C ATOM 964 CD1 TYR A 65 -4.780 -3.761 -5.317 1.00 0.00 C ATOM 965 CD2 TYR A 65 -6.388 -5.516 -5.453 1.00 0.00 C ATOM 966 CE1 TYR A 65 -5.786 -2.854 -5.045 1.00 0.00 C ATOM 967 CE2 TYR A 65 -7.400 -4.615 -5.183 1.00 0.00 C ATOM 968 CZ TYR A 65 -7.094 -3.286 -4.979 1.00 0.00 C ATOM 969 OH TYR A 65 -8.100 -2.386 -4.708 1.00 0.00 O ATOM 0 H TYR A 65 -1.830 -4.129 -4.593 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.128 -5.777 -3.866 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.612 -5.944 -6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.362 -7.106 -5.770 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.757 -3.419 -5.368 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -6.631 -6.556 -5.610 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.549 -1.812 -4.885 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.426 -4.950 -5.132 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.962 -2.852 -4.698 1.00 0.00 H new ATOM 979 N CYS A 66 -0.898 -7.324 -4.102 1.00 0.00 N ATOM 980 CA CYS A 66 -0.072 -8.521 -3.992 1.00 0.00 C ATOM 981 C CYS A 66 -0.082 -9.060 -2.565 1.00 0.00 C ATOM 982 O CYS A 66 -0.512 -10.187 -2.319 1.00 0.00 O ATOM 983 CB CYS A 66 1.363 -8.218 -4.426 1.00 0.00 C ATOM 984 SG CYS A 66 1.546 -7.890 -6.195 1.00 0.00 S ATOM 0 H CYS A 66 -0.559 -6.527 -3.564 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.490 -9.282 -4.651 1.00 0.00 H new ATOM 0 HB2 CYS A 66 1.725 -7.355 -3.868 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.999 -9.061 -4.156 1.00 0.00 H new ATOM 0 HG CYS A 66 2.794 -7.643 -6.464 1.00 0.00 H new ATOM 990 N HIS A 67 0.397 -8.247 -1.628 1.00 0.00 N ATOM 991 CA HIS A 67 0.444 -8.642 -0.225 1.00 0.00 C ATOM 992 C HIS A 67 -0.958 -8.915 0.310 1.00 0.00 C ATOM 993 O HIS A 67 -1.122 -9.440 1.412 1.00 0.00 O ATOM 994 CB HIS A 67 1.119 -7.554 0.610 1.00 0.00 C ATOM 995 CG HIS A 67 1.869 -8.085 1.793 1.00 0.00 C ATOM 996 ND1 HIS A 67 3.169 -7.727 2.082 1.00 0.00 N ATOM 997 CD2 HIS A 67 1.494 -8.951 2.763 1.00 0.00 C ATOM 998 CE1 HIS A 67 3.561 -8.352 3.178 1.00 0.00 C ATOM 999 NE2 HIS A 67 2.563 -9.101 3.611 1.00 0.00 N ATOM 0 H HIS A 67 0.758 -7.311 -1.815 1.00 0.00 H new ATOM 0 HA HIS A 67 1.027 -9.560 -0.151 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.807 -6.995 -0.025 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.361 -6.851 0.956 1.00 0.00 H new ATOM 0 HD1 HIS A 67 3.739 -7.081 1.535 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.532 -9.434 2.853 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.533 -8.265 3.641 1.00 0.00 H new ATOM 1007 N LEU A 68 -1.967 -8.555 -0.476 1.00 0.00 N ATOM 1008 CA LEU A 68 -3.356 -8.760 -0.081 1.00 0.00 C ATOM 1009 C LEU A 68 -3.532 -10.109 0.608 1.00 0.00 C ATOM 1010 O LEU A 68 -4.346 -10.249 1.521 1.00 0.00 O ATOM 1011 CB LEU A 68 -4.272 -8.675 -1.303 1.00 0.00 C ATOM 1012 CG LEU A 68 -4.209 -7.371 -2.099 1.00 0.00 C ATOM 1013 CD1 LEU A 68 -5.466 -7.196 -2.938 1.00 0.00 C ATOM 1014 CD2 LEU A 68 -4.021 -6.184 -1.166 1.00 0.00 C ATOM 0 H LEU A 68 -1.849 -8.120 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.628 -7.974 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.027 -9.499 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.300 -8.827 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.352 -7.420 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.403 -6.263 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.558 -8.030 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.338 -7.170 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.978 -5.265 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.858 -6.133 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.092 -6.303 -0.609 1.00 0.00 H new ATOM 1026 N SER A 69 -2.764 -11.099 0.165 1.00 0.00 N ATOM 1027 CA SER A 69 -2.836 -12.438 0.738 1.00 0.00 C ATOM 1028 C SER A 69 -3.065 -12.373 2.245 1.00 0.00 C ATOM 1029 O SER A 69 -3.872 -13.123 2.795 1.00 0.00 O ATOM 1030 CB SER A 69 -1.552 -13.214 0.439 1.00 0.00 C ATOM 1031 OG SER A 69 -1.289 -13.247 -0.953 1.00 0.00 O ATOM 0 H SER A 69 -2.085 -10.999 -0.589 1.00 0.00 H new ATOM 0 HA SER A 69 -3.680 -12.956 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.714 -12.751 0.960 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.641 -14.231 0.820 1.00 0.00 H new ATOM 0 HG SER A 69 -0.462 -13.747 -1.118 1.00 0.00 H new ATOM 1037 N HIS A 70 -2.350 -11.469 2.907 1.00 0.00 N ATOM 1038 CA HIS A 70 -2.474 -11.304 4.351 1.00 0.00 C ATOM 1039 C HIS A 70 -3.495 -10.221 4.688 1.00 0.00 C ATOM 1040 O HIS A 70 -3.932 -9.471 3.814 1.00 0.00 O ATOM 1041 CB HIS A 70 -1.119 -10.952 4.964 1.00 0.00 C ATOM 1042 CG HIS A 70 -0.176 -12.114 5.039 1.00 0.00 C ATOM 1043 ND1 HIS A 70 1.190 -11.968 5.156 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -0.409 -13.447 5.014 1.00 0.00 C ATOM 1045 CE1 HIS A 70 1.757 -13.160 5.198 1.00 0.00 C ATOM 1046 NE2 HIS A 70 0.808 -14.075 5.115 1.00 0.00 N ATOM 0 H HIS A 70 -1.679 -10.840 2.467 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.820 -12.248 4.771 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.658 -10.158 4.376 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.275 -10.556 5.967 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.373 -13.927 4.930 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.816 -13.354 5.285 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.955 -15.084 5.124 1.00 0.00 H new ATOM 1054 N THR A 71 -3.871 -10.144 5.960 1.00 0.00 N ATOM 1055 CA THR A 71 -4.841 -9.155 6.412 1.00 0.00 C ATOM 1056 C THR A 71 -4.167 -7.820 6.710 1.00 0.00 C ATOM 1057 O THR A 71 -3.397 -7.701 7.663 1.00 0.00 O ATOM 1058 CB THR A 71 -5.585 -9.633 7.673 1.00 0.00 C ATOM 1059 OG1 THR A 71 -6.093 -10.957 7.470 1.00 0.00 O ATOM 1060 CG2 THR A 71 -6.731 -8.692 8.015 1.00 0.00 C ATOM 0 H THR A 71 -3.518 -10.755 6.696 1.00 0.00 H new ATOM 0 HA THR A 71 -5.559 -9.024 5.603 1.00 0.00 H new ATOM 0 HB THR A 71 -4.880 -9.638 8.504 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.563 -11.254 8.277 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.241 -9.050 8.909 1.00 0.00 H new ATOM 0 HG22 THR A 71 -6.338 -7.692 8.198 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.435 -8.659 7.184 1.00 0.00 H new ATOM 1068 N PHE A 72 -4.462 -6.818 5.888 1.00 0.00 N ATOM 1069 CA PHE A 72 -3.884 -5.491 6.063 1.00 0.00 C ATOM 1070 C PHE A 72 -4.910 -4.523 6.645 1.00 0.00 C ATOM 1071 O PHE A 72 -6.104 -4.819 6.690 1.00 0.00 O ATOM 1072 CB PHE A 72 -3.364 -4.957 4.727 1.00 0.00 C ATOM 1073 CG PHE A 72 -1.964 -5.399 4.409 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -1.597 -6.729 4.533 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -1.014 -4.483 3.987 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -0.310 -7.138 4.241 1.00 0.00 C ATOM 1077 CE2 PHE A 72 0.275 -4.886 3.693 1.00 0.00 C ATOM 1078 CZ PHE A 72 0.628 -6.215 3.822 1.00 0.00 C ATOM 0 H PHE A 72 -5.098 -6.900 5.095 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.052 -5.575 6.762 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.030 -5.286 3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.398 -3.868 4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.326 -7.455 4.862 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.284 -3.442 3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.038 -8.178 4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.005 -4.162 3.363 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.635 -6.532 3.596 1.00 0.00 H new ATOM 1088 N THR A 73 -4.435 -3.364 7.091 1.00 0.00 N ATOM 1089 CA THR A 73 -5.309 -2.353 7.672 1.00 0.00 C ATOM 1090 C THR A 73 -4.756 -0.951 7.444 1.00 0.00 C ATOM 1091 O THR A 73 -3.552 -0.720 7.564 1.00 0.00 O ATOM 1092 CB THR A 73 -5.500 -2.577 9.184 1.00 0.00 C ATOM 1093 OG1 THR A 73 -4.231 -2.782 9.813 1.00 0.00 O ATOM 1094 CG2 THR A 73 -6.400 -3.775 9.444 1.00 0.00 C ATOM 0 H THR A 73 -3.450 -3.103 7.061 1.00 0.00 H new ATOM 0 HA THR A 73 -6.274 -2.446 7.173 1.00 0.00 H new ATOM 0 HB THR A 73 -5.973 -1.689 9.603 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.361 -2.922 10.774 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.520 -3.913 10.518 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.375 -3.603 8.989 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.950 -4.669 9.011 1.00 0.00 H new ATOM 1102 N PHE A 74 -5.641 -0.017 7.114 1.00 0.00 N ATOM 1103 CA PHE A 74 -5.241 1.364 6.868 1.00 0.00 C ATOM 1104 C PHE A 74 -5.627 2.259 8.042 1.00 0.00 C ATOM 1105 O PHE A 74 -6.620 2.010 8.725 1.00 0.00 O ATOM 1106 CB PHE A 74 -5.886 1.883 5.582 1.00 0.00 C ATOM 1107 CG PHE A 74 -7.264 2.444 5.786 1.00 0.00 C ATOM 1108 CD1 PHE A 74 -8.377 1.619 5.737 1.00 0.00 C ATOM 1109 CD2 PHE A 74 -7.448 3.796 6.027 1.00 0.00 C ATOM 1110 CE1 PHE A 74 -9.646 2.132 5.926 1.00 0.00 C ATOM 1111 CE2 PHE A 74 -8.715 4.314 6.217 1.00 0.00 C ATOM 1112 CZ PHE A 74 -9.816 3.482 6.165 1.00 0.00 C ATOM 0 H PHE A 74 -6.641 -0.191 7.011 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.157 1.388 6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.248 2.655 5.151 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.937 1.071 4.857 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.251 0.563 5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -6.591 4.453 6.067 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.505 1.478 5.887 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.844 5.369 6.406 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.807 3.886 6.311 1.00 0.00 H new ATOM 1122 N ARG A 75 -4.835 3.302 8.269 1.00 0.00 N ATOM 1123 CA ARG A 75 -5.092 4.233 9.360 1.00 0.00 C ATOM 1124 C ARG A 75 -5.565 5.582 8.824 1.00 0.00 C ATOM 1125 O ARG A 75 -5.699 5.767 7.615 1.00 0.00 O ATOM 1126 CB ARG A 75 -3.831 4.423 10.206 1.00 0.00 C ATOM 1127 CG ARG A 75 -2.830 5.390 9.597 1.00 0.00 C ATOM 1128 CD ARG A 75 -2.052 6.136 10.671 1.00 0.00 C ATOM 1129 NE ARG A 75 -0.825 5.437 11.043 1.00 0.00 N ATOM 1130 CZ ARG A 75 0.318 5.554 10.377 1.00 0.00 C ATOM 1131 NH1 ARG A 75 0.390 6.338 9.310 1.00 0.00 N ATOM 1132 NH2 ARG A 75 1.392 4.885 10.777 1.00 0.00 N ATOM 0 H ARG A 75 -4.010 3.523 7.711 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.880 3.812 9.984 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.117 4.784 11.194 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.349 3.456 10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.137 4.843 8.958 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.353 6.105 8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.805 7.135 10.312 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.680 6.260 11.553 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.847 4.825 11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.434 6.853 8.999 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.269 6.426 8.800 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.340 4.280 11.597 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.269 4.976 10.265 1.00 0.00 H new ATOM 1146 N GLU A 76 -5.817 6.519 9.733 1.00 0.00 N ATOM 1147 CA GLU A 76 -6.276 7.849 9.350 1.00 0.00 C ATOM 1148 C GLU A 76 -5.505 8.928 10.105 1.00 0.00 C ATOM 1149 O GLU A 76 -4.777 8.639 11.055 1.00 0.00 O ATOM 1150 CB GLU A 76 -7.775 7.993 9.622 1.00 0.00 C ATOM 1151 CG GLU A 76 -8.602 6.830 9.102 1.00 0.00 C ATOM 1152 CD GLU A 76 -9.990 6.782 9.712 1.00 0.00 C ATOM 1153 OE1 GLU A 76 -10.088 6.706 10.955 1.00 0.00 O ATOM 1154 OE2 GLU A 76 -10.976 6.820 8.948 1.00 0.00 O ATOM 0 H GLU A 76 -5.711 6.382 10.738 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.094 7.976 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.933 8.089 10.696 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.132 8.915 9.164 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.688 6.906 8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.083 5.896 9.316 1.00 0.00 H new ATOM 1161 N LYS A 77 -5.669 10.175 9.674 1.00 0.00 N ATOM 1162 CA LYS A 77 -4.991 11.299 10.307 1.00 0.00 C ATOM 1163 C LYS A 77 -5.135 11.238 11.824 1.00 0.00 C ATOM 1164 O LYS A 77 -5.983 10.515 12.348 1.00 0.00 O ATOM 1165 CB LYS A 77 -5.555 12.622 9.784 1.00 0.00 C ATOM 1166 CG LYS A 77 -5.886 12.598 8.302 1.00 0.00 C ATOM 1167 CD LYS A 77 -5.747 13.976 7.677 1.00 0.00 C ATOM 1168 CE LYS A 77 -7.031 14.780 7.807 1.00 0.00 C ATOM 1169 NZ LYS A 77 -7.248 15.256 9.201 1.00 0.00 N ATOM 0 H LYS A 77 -6.266 10.432 8.888 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.932 11.238 10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.456 12.870 10.345 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.832 13.416 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.225 11.898 7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.904 12.235 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.930 14.514 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.486 13.874 6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.994 15.636 7.133 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.877 14.166 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.832 16.116 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.733 14.517 9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.330 15.468 9.642 1.00 0.00 H new ATOM 1183 N ARG A 78 -4.303 12.001 12.525 1.00 0.00 N ATOM 1184 CA ARG A 78 -4.338 12.033 13.982 1.00 0.00 C ATOM 1185 C ARG A 78 -5.773 11.937 14.493 1.00 0.00 C ATOM 1186 O ARG A 78 -6.720 12.264 13.779 1.00 0.00 O ATOM 1187 CB ARG A 78 -3.686 13.315 14.502 1.00 0.00 C ATOM 1188 CG ARG A 78 -2.175 13.219 14.634 1.00 0.00 C ATOM 1189 CD ARG A 78 -1.505 13.074 13.276 1.00 0.00 C ATOM 1190 NE ARG A 78 -0.056 12.931 13.394 1.00 0.00 N ATOM 1191 CZ ARG A 78 0.730 12.561 12.388 1.00 0.00 C ATOM 1192 NH1 ARG A 78 0.209 12.299 11.198 1.00 0.00 N ATOM 1193 NH2 ARG A 78 2.039 12.453 12.573 1.00 0.00 N ATOM 0 H ARG A 78 -3.596 12.606 12.107 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.779 11.174 14.352 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.932 14.137 13.829 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.112 13.561 15.475 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.795 14.109 15.135 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.917 12.366 15.261 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.914 12.205 12.761 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.735 13.946 12.663 1.00 0.00 H new ATOM 0 HE ARG A 78 0.376 13.126 14.297 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.797 12.381 11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.814 12.015 10.428 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.443 12.654 13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.642 12.169 11.801 1.00 0.00 H new ATOM 1207 N ASN A 79 -5.925 11.484 15.733 1.00 0.00 N ATOM 1208 CA ASN A 79 -7.244 11.344 16.340 1.00 0.00 C ATOM 1209 C ASN A 79 -8.075 10.300 15.599 1.00 0.00 C ATOM 1210 O ASN A 79 -9.265 10.499 15.356 1.00 0.00 O ATOM 1211 CB ASN A 79 -7.975 12.688 16.338 1.00 0.00 C ATOM 1212 CG ASN A 79 -9.262 12.648 17.139 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -10.356 12.729 16.580 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -9.136 12.521 18.455 1.00 0.00 N ATOM 0 H ASN A 79 -5.151 11.208 16.337 1.00 0.00 H new ATOM 0 HA ASN A 79 -7.109 11.013 17.370 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.319 13.456 16.748 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.199 12.975 15.311 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.967 12.487 19.046 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.209 12.457 18.875 1.00 0.00 H new ATOM 1221 N GLN A 80 -7.438 9.189 15.244 1.00 0.00 N ATOM 1222 CA GLN A 80 -8.119 8.114 14.531 1.00 0.00 C ATOM 1223 C GLN A 80 -7.563 6.753 14.938 1.00 0.00 C ATOM 1224 O GLN A 80 -6.667 6.663 15.779 1.00 0.00 O ATOM 1225 CB GLN A 80 -7.976 8.305 13.020 1.00 0.00 C ATOM 1226 CG GLN A 80 -8.448 9.665 12.532 1.00 0.00 C ATOM 1227 CD GLN A 80 -9.956 9.748 12.406 1.00 0.00 C ATOM 1228 OE1 GLN A 80 -10.682 8.899 12.923 1.00 0.00 O ATOM 1229 NE2 GLN A 80 -10.437 10.775 11.715 1.00 0.00 N ATOM 0 H GLN A 80 -6.453 9.009 15.438 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.176 8.149 14.796 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.930 8.171 12.743 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.543 7.528 12.508 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.102 10.435 13.222 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.994 9.877 11.564 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.799 11.456 11.303 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.444 10.883 11.596 1.00 0.00 H new ATOM 1238 N LYS A 81 -8.099 5.697 14.338 1.00 0.00 N ATOM 1239 CA LYS A 81 -7.657 4.340 14.636 1.00 0.00 C ATOM 1240 C LYS A 81 -7.713 3.462 13.389 1.00 0.00 C ATOM 1241 O LYS A 81 -8.505 3.711 12.480 1.00 0.00 O ATOM 1242 CB LYS A 81 -8.522 3.730 15.741 1.00 0.00 C ATOM 1243 CG LYS A 81 -8.375 4.426 17.083 1.00 0.00 C ATOM 1244 CD LYS A 81 -9.387 5.548 17.244 1.00 0.00 C ATOM 1245 CE LYS A 81 -9.753 5.764 18.704 1.00 0.00 C ATOM 1246 NZ LYS A 81 -11.072 6.440 18.851 1.00 0.00 N ATOM 0 H LYS A 81 -8.842 5.754 13.641 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.623 4.389 14.978 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.567 3.767 15.435 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.261 2.678 15.856 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.504 3.700 17.886 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.366 4.829 17.176 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.978 6.470 16.830 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.286 5.313 16.674 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.778 4.803 19.218 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.982 6.364 19.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.285 6.569 19.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.041 7.368 18.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.812 5.856 18.413 1.00 0.00 H new ATOM 1260 N TRP A 82 -6.870 2.437 13.355 1.00 0.00 N ATOM 1261 CA TRP A 82 -6.826 1.522 12.220 1.00 0.00 C ATOM 1262 C TRP A 82 -8.231 1.098 11.808 1.00 0.00 C ATOM 1263 O TRP A 82 -9.210 1.421 12.481 1.00 0.00 O ATOM 1264 CB TRP A 82 -5.988 0.289 12.564 1.00 0.00 C ATOM 1265 CG TRP A 82 -4.635 0.626 13.115 1.00 0.00 C ATOM 1266 CD1 TRP A 82 -4.277 0.682 14.432 1.00 0.00 C ATOM 1267 CD2 TRP A 82 -3.462 0.955 12.364 1.00 0.00 C ATOM 1268 NE1 TRP A 82 -2.952 1.025 14.544 1.00 0.00 N ATOM 1269 CE2 TRP A 82 -2.429 1.197 13.290 1.00 0.00 C ATOM 1270 CE3 TRP A 82 -3.182 1.066 10.999 1.00 0.00 C ATOM 1271 CZ2 TRP A 82 -1.140 1.545 12.893 1.00 0.00 C ATOM 1272 CZ3 TRP A 82 -1.903 1.411 10.607 1.00 0.00 C ATOM 1273 CH2 TRP A 82 -0.895 1.647 11.551 1.00 0.00 C ATOM 0 H TRP A 82 -6.208 2.218 14.099 1.00 0.00 H new ATOM 0 HA TRP A 82 -6.364 2.044 11.382 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -6.528 -0.317 13.291 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -5.866 -0.320 11.668 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -4.939 0.485 15.263 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -2.440 1.134 15.420 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -3.952 0.885 10.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.362 1.728 13.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.676 1.500 9.555 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.095 1.915 11.213 1.00 0.00 H new ATOM 1284 N ARG A 83 -8.324 0.372 10.698 1.00 0.00 N ATOM 1285 CA ARG A 83 -9.610 -0.096 10.196 1.00 0.00 C ATOM 1286 C ARG A 83 -9.421 -1.047 9.019 1.00 0.00 C ATOM 1287 O ARG A 83 -8.609 -0.796 8.129 1.00 0.00 O ATOM 1288 CB ARG A 83 -10.478 1.091 9.773 1.00 0.00 C ATOM 1289 CG ARG A 83 -9.678 2.288 9.287 1.00 0.00 C ATOM 1290 CD ARG A 83 -10.451 3.585 9.466 1.00 0.00 C ATOM 1291 NE ARG A 83 -10.537 3.982 10.869 1.00 0.00 N ATOM 1292 CZ ARG A 83 -11.567 3.687 11.654 1.00 0.00 C ATOM 1293 NH1 ARG A 83 -12.593 2.997 11.176 1.00 0.00 N ATOM 1294 NH2 ARG A 83 -11.572 4.083 12.921 1.00 0.00 N ATOM 0 H ARG A 83 -7.524 0.095 10.130 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.111 -0.636 10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -11.155 0.771 8.981 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.097 1.397 10.617 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.738 2.345 9.835 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.426 2.156 8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.967 4.377 8.894 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.456 3.467 9.060 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.764 4.515 11.268 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.593 2.691 10.203 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.383 2.772 11.781 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.784 4.614 13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -12.363 3.856 13.523 1.00 0.00 H new ATOM 1308 N SER A 84 -10.176 -2.141 9.022 1.00 0.00 N ATOM 1309 CA SER A 84 -10.089 -3.133 7.956 1.00 0.00 C ATOM 1310 C SER A 84 -10.335 -2.491 6.594 1.00 0.00 C ATOM 1311 O SER A 84 -11.007 -1.463 6.491 1.00 0.00 O ATOM 1312 CB SER A 84 -11.100 -4.257 8.192 1.00 0.00 C ATOM 1313 OG SER A 84 -12.427 -3.800 7.991 1.00 0.00 O ATOM 0 H SER A 84 -10.855 -2.363 9.750 1.00 0.00 H new ATOM 0 HA SER A 84 -9.082 -3.551 7.965 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.891 -5.086 7.516 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.993 -4.639 9.207 1.00 0.00 H new ATOM 0 HG SER A 84 -13.054 -4.537 8.146 1.00 0.00 H new ATOM 1319 N LEU A 85 -9.785 -3.103 5.551 1.00 0.00 N ATOM 1320 CA LEU A 85 -9.943 -2.592 4.194 1.00 0.00 C ATOM 1321 C LEU A 85 -11.007 -3.380 3.436 1.00 0.00 C ATOM 1322 O LEU A 85 -11.380 -4.481 3.838 1.00 0.00 O ATOM 1323 CB LEU A 85 -8.611 -2.658 3.444 1.00 0.00 C ATOM 1324 CG LEU A 85 -7.545 -1.653 3.880 1.00 0.00 C ATOM 1325 CD1 LEU A 85 -6.153 -2.233 3.684 1.00 0.00 C ATOM 1326 CD2 LEU A 85 -7.695 -0.349 3.111 1.00 0.00 C ATOM 0 H LEU A 85 -9.226 -3.953 5.619 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.265 -1.553 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.203 -3.662 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.807 -2.511 2.382 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.683 -1.443 4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.407 -1.504 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.049 -3.139 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.003 -2.472 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.928 0.354 3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.584 -0.541 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.680 0.075 3.303 1.00 0.00 H new ATOM 1338 N GLU A 86 -11.488 -2.808 2.337 1.00 0.00 N ATOM 1339 CA GLU A 86 -12.508 -3.459 1.522 1.00 0.00 C ATOM 1340 C GLU A 86 -11.877 -4.462 0.561 1.00 0.00 C ATOM 1341 O GLU A 86 -11.020 -4.109 -0.250 1.00 0.00 O ATOM 1342 CB GLU A 86 -13.307 -2.416 0.737 1.00 0.00 C ATOM 1343 CG GLU A 86 -14.037 -1.418 1.619 1.00 0.00 C ATOM 1344 CD GLU A 86 -15.296 -0.878 0.971 1.00 0.00 C ATOM 1345 OE1 GLU A 86 -16.370 -1.487 1.163 1.00 0.00 O ATOM 1346 OE2 GLU A 86 -15.209 0.153 0.271 1.00 0.00 O ATOM 0 H GLU A 86 -11.189 -1.897 1.990 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.182 -3.996 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.631 -1.876 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.032 -2.927 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.296 -1.895 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.369 -0.589 1.853 1.00 0.00 H new ATOM 1353 N LYS A 87 -12.308 -5.716 0.657 1.00 0.00 N ATOM 1354 CA LYS A 87 -11.787 -6.772 -0.203 1.00 0.00 C ATOM 1355 C LYS A 87 -11.807 -6.341 -1.667 1.00 0.00 C ATOM 1356 O LYS A 87 -12.392 -5.315 -2.013 1.00 0.00 O ATOM 1357 CB LYS A 87 -12.607 -8.052 -0.026 1.00 0.00 C ATOM 1358 CG LYS A 87 -13.980 -7.990 -0.673 1.00 0.00 C ATOM 1359 CD LYS A 87 -14.987 -8.849 0.073 1.00 0.00 C ATOM 1360 CE LYS A 87 -16.410 -8.557 -0.378 1.00 0.00 C ATOM 1361 NZ LYS A 87 -16.916 -7.271 0.178 1.00 0.00 N ATOM 0 H LYS A 87 -13.017 -6.025 1.322 1.00 0.00 H new ATOM 0 HA LYS A 87 -10.754 -6.966 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.053 -8.890 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.725 -8.253 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.327 -6.957 -0.694 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.911 -8.325 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.761 -9.903 -0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.899 -8.668 1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.446 -8.521 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.064 -9.370 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.928 -7.173 -0.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.780 -7.261 1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.393 -6.479 -0.247 1.00 0.00 H new ATOM 1375 N ARG A 88 -11.166 -7.133 -2.520 1.00 0.00 N ATOM 1376 CA ARG A 88 -11.112 -6.833 -3.946 1.00 0.00 C ATOM 1377 C ARG A 88 -12.472 -7.054 -4.601 1.00 0.00 C ATOM 1378 O ARG A 88 -12.946 -8.186 -4.703 1.00 0.00 O ATOM 1379 CB ARG A 88 -10.056 -7.702 -4.631 1.00 0.00 C ATOM 1380 CG ARG A 88 -10.291 -9.194 -4.460 1.00 0.00 C ATOM 1381 CD ARG A 88 -9.005 -9.986 -4.642 1.00 0.00 C ATOM 1382 NE ARG A 88 -8.243 -10.084 -3.400 1.00 0.00 N ATOM 1383 CZ ARG A 88 -8.474 -11.002 -2.467 1.00 0.00 C ATOM 1384 NH1 ARG A 88 -9.440 -11.894 -2.635 1.00 0.00 N ATOM 1385 NH2 ARG A 88 -7.738 -11.027 -1.364 1.00 0.00 N ATOM 0 H ARG A 88 -10.677 -7.986 -2.249 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.840 -5.784 -4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.037 -7.465 -5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.074 -7.449 -4.231 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.701 -9.387 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.033 -9.532 -5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.243 -10.987 -5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.392 -9.511 -5.407 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.493 -9.412 -3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -10.008 -11.877 -3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.615 -12.597 -1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.994 -10.342 -1.231 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.916 -11.732 -0.648 1.00 0.00 H new ATOM 1399 N ALA A 89 -13.094 -5.966 -5.042 1.00 0.00 N ATOM 1400 CA ALA A 89 -14.399 -6.042 -5.688 1.00 0.00 C ATOM 1401 C ALA A 89 -14.293 -6.691 -7.065 1.00 0.00 C ATOM 1402 O ALA A 89 -14.208 -6.002 -8.081 1.00 0.00 O ATOM 1403 CB ALA A 89 -15.012 -4.654 -5.803 1.00 0.00 C ATOM 0 H ALA A 89 -12.716 -5.022 -4.964 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.047 -6.664 -5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -15.986 -4.725 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -15.132 -4.226 -4.808 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -14.358 -4.015 -6.397 1.00 0.00 H new ATOM 1409 N ASP A 90 -14.298 -8.019 -7.089 1.00 0.00 N ATOM 1410 CA ASP A 90 -14.203 -8.761 -8.341 1.00 0.00 C ATOM 1411 C ASP A 90 -14.512 -10.239 -8.122 1.00 0.00 C ATOM 1412 O ASP A 90 -13.992 -10.860 -7.195 1.00 0.00 O ATOM 1413 CB ASP A 90 -12.808 -8.603 -8.948 1.00 0.00 C ATOM 1414 CG ASP A 90 -12.753 -9.048 -10.396 1.00 0.00 C ATOM 1415 OD1 ASP A 90 -13.356 -8.365 -11.249 1.00 0.00 O ATOM 1416 OD2 ASP A 90 -12.106 -10.079 -10.676 1.00 0.00 O ATOM 0 H ASP A 90 -14.367 -8.604 -6.256 1.00 0.00 H new ATOM 0 HA ASP A 90 -14.940 -8.353 -9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -12.501 -7.559 -8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.093 -9.184 -8.365 1.00 0.00 H new ATOM 1421 N GLU A 91 -15.362 -10.794 -8.979 1.00 0.00 N ATOM 1422 CA GLU A 91 -15.741 -12.199 -8.877 1.00 0.00 C ATOM 1423 C GLU A 91 -14.788 -13.079 -9.680 1.00 0.00 C ATOM 1424 O GLU A 91 -14.197 -14.020 -9.149 1.00 0.00 O ATOM 1425 CB GLU A 91 -17.176 -12.400 -9.369 1.00 0.00 C ATOM 1426 CG GLU A 91 -18.218 -11.714 -8.502 1.00 0.00 C ATOM 1427 CD GLU A 91 -18.408 -12.401 -7.164 1.00 0.00 C ATOM 1428 OE1 GLU A 91 -18.428 -13.649 -7.135 1.00 0.00 O ATOM 1429 OE2 GLU A 91 -18.537 -11.690 -6.146 1.00 0.00 O ATOM 0 H GLU A 91 -15.801 -10.293 -9.751 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.680 -12.490 -7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -17.258 -12.022 -10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.392 -13.468 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.922 -10.678 -8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -19.170 -11.692 -9.033 1.00 0.00 H new ATOM 1436 N VAL A 92 -14.644 -12.767 -10.964 1.00 0.00 N ATOM 1437 CA VAL A 92 -13.763 -13.528 -11.842 1.00 0.00 C ATOM 1438 C VAL A 92 -12.339 -13.561 -11.297 1.00 0.00 C ATOM 1439 O VAL A 92 -11.827 -12.554 -10.808 1.00 0.00 O ATOM 1440 CB VAL A 92 -13.743 -12.940 -13.265 1.00 0.00 C ATOM 1441 CG1 VAL A 92 -13.284 -11.490 -13.237 1.00 0.00 C ATOM 1442 CG2 VAL A 92 -12.850 -13.773 -14.173 1.00 0.00 C ATOM 0 H VAL A 92 -15.126 -11.992 -11.419 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.157 -14.543 -11.883 1.00 0.00 H new ATOM 0 HB VAL A 92 -14.756 -12.968 -13.665 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -13.276 -11.091 -14.251 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -13.967 -10.904 -12.622 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.280 -11.434 -12.817 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -12.848 -13.343 -15.175 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.834 -13.779 -13.778 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.228 -14.794 -14.217 1.00 0.00 H new ATOM 1452 N SER A 93 -11.704 -14.725 -11.386 1.00 0.00 N ATOM 1453 CA SER A 93 -10.339 -14.891 -10.899 1.00 0.00 C ATOM 1454 C SER A 93 -9.423 -15.391 -12.012 1.00 0.00 C ATOM 1455 O SER A 93 -9.362 -16.587 -12.291 1.00 0.00 O ATOM 1456 CB SER A 93 -10.310 -15.867 -9.722 1.00 0.00 C ATOM 1457 OG SER A 93 -10.891 -15.289 -8.566 1.00 0.00 O ATOM 0 H SER A 93 -12.113 -15.567 -11.791 1.00 0.00 H new ATOM 0 HA SER A 93 -9.978 -13.919 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.848 -16.777 -9.987 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.280 -16.156 -9.510 1.00 0.00 H new ATOM 0 HG SER A 93 -10.862 -15.933 -7.828 1.00 0.00 H new ATOM 1463 N GLY A 94 -8.709 -14.463 -12.644 1.00 0.00 N ATOM 1464 CA GLY A 94 -7.805 -14.828 -13.719 1.00 0.00 C ATOM 1465 C GLY A 94 -7.523 -13.671 -14.657 1.00 0.00 C ATOM 1466 O GLY A 94 -6.543 -12.942 -14.501 1.00 0.00 O ATOM 0 H GLY A 94 -8.741 -13.466 -12.430 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.866 -15.185 -13.295 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.234 -15.655 -14.285 1.00 0.00 H new ATOM 1470 N PRO A 95 -8.396 -13.491 -15.659 1.00 0.00 N ATOM 1471 CA PRO A 95 -8.257 -12.417 -16.647 1.00 0.00 C ATOM 1472 C PRO A 95 -8.513 -11.039 -16.045 1.00 0.00 C ATOM 1473 O PRO A 95 -9.655 -10.679 -15.761 1.00 0.00 O ATOM 1474 CB PRO A 95 -9.326 -12.753 -17.689 1.00 0.00 C ATOM 1475 CG PRO A 95 -10.345 -13.545 -16.945 1.00 0.00 C ATOM 1476 CD PRO A 95 -9.587 -14.322 -15.905 1.00 0.00 C ATOM 0 HA PRO A 95 -7.247 -12.366 -17.054 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -9.761 -11.849 -18.115 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.906 -13.325 -18.516 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.085 -12.892 -16.482 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.885 -14.214 -17.615 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.175 -14.459 -14.998 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.317 -15.315 -16.263 1.00 0.00 H new ATOM 1484 N SER A 96 -7.444 -10.274 -15.854 1.00 0.00 N ATOM 1485 CA SER A 96 -7.553 -8.937 -15.282 1.00 0.00 C ATOM 1486 C SER A 96 -6.592 -7.972 -15.970 1.00 0.00 C ATOM 1487 O SER A 96 -5.376 -8.069 -15.807 1.00 0.00 O ATOM 1488 CB SER A 96 -7.267 -8.976 -13.780 1.00 0.00 C ATOM 1489 OG SER A 96 -5.919 -9.330 -13.527 1.00 0.00 O ATOM 0 H SER A 96 -6.492 -10.557 -16.087 1.00 0.00 H new ATOM 0 HA SER A 96 -8.572 -8.583 -15.441 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.479 -8.001 -13.341 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.931 -9.694 -13.299 1.00 0.00 H new ATOM 0 HG SER A 96 -5.362 -9.063 -14.288 1.00 0.00 H new ATOM 1495 N SER A 97 -7.147 -7.040 -16.738 1.00 0.00 N ATOM 1496 CA SER A 97 -6.340 -6.059 -17.454 1.00 0.00 C ATOM 1497 C SER A 97 -7.223 -4.993 -18.095 1.00 0.00 C ATOM 1498 O SER A 97 -8.321 -5.283 -18.568 1.00 0.00 O ATOM 1499 CB SER A 97 -5.493 -6.748 -18.525 1.00 0.00 C ATOM 1500 OG SER A 97 -6.290 -7.145 -19.628 1.00 0.00 O ATOM 0 H SER A 97 -8.152 -6.944 -16.880 1.00 0.00 H new ATOM 0 HA SER A 97 -5.679 -5.574 -16.735 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.709 -6.071 -18.864 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.999 -7.620 -18.097 1.00 0.00 H new ATOM 0 HG SER A 97 -5.725 -7.581 -20.300 1.00 0.00 H new ATOM 1506 N GLY A 98 -6.734 -3.757 -18.108 1.00 0.00 N ATOM 1507 CA GLY A 98 -7.490 -2.665 -18.693 1.00 0.00 C ATOM 1508 C GLY A 98 -6.843 -2.120 -19.950 1.00 0.00 C ATOM 1509 O GLY A 98 -7.459 -1.305 -20.636 1.00 0.00 O ATOM 0 H GLY A 98 -5.827 -3.492 -17.724 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.498 -3.009 -18.927 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.589 -1.863 -17.962 1.00 0.00 H new TER 1513 GLY A 98 HETATM 1514 ZN ZN A 201 5.478 1.354 -1.277 1.00 0.00 ZN HETATM 1515 ZN ZN A 401 2.163 -10.167 5.321 1.00 0.00 ZN