USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 937 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 14 LYS NZ :NH3+ -162:sc= -2.15! (180deg=-3.06!) USER MOD Set 1.2: A 19 ASN : amide:sc= 0 X(o=-2.2,f=-2.3) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -159:sc= -2.08! (180deg=-2.56) USER MOD Set 2.2: A 79 HIS : no HE2:sc= -8.2! C(o=-10!,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0465 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -165:sc= -5.28! (180deg=-5.46!) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.75! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.972 USER MOD Single : A 42 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.005) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -135:sc= -0.95 (180deg=-2.95) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -60:sc= -1.96! USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -170:sc= 0 USER MOD Single : A 57 SER OG : rot 30:sc= 0.0356 USER MOD Single : A 59 CYS SG : rot 174:sc= -12.7! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= -0.196 (180deg=-1.09) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 176:sc= -0.921 USER MOD Single : A 74 THR OG1 : rot 12:sc= 0.299! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.0193 X(o=-0.019,f=-0.19) USER MOD Single : A 77 GLN : amide:sc= -0.303 K(o=-0.3,f=-2.7!) USER MOD Single : A 82 GLN : amide:sc= -2.29! X(o=-2.3!,f=-2.7) USER MOD Single : A 97 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.0024) USER MOD Single : A 98 LYS NZ :NH3+ -157:sc=-0.00118 (180deg=-0.385) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.37) USER MOD Single : A 111 HIS : no HD1:sc= -0.0359 X(o=-0.036,f=-0.14) USER MOD Single : A 112 HIS : no HD1:sc= -0.0563 X(o=-0.056,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.205 X(o=-0.21,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.308 12.596 4.096 1.00 0.00 N ATOM 2 CA MET A 1 -17.002 12.112 5.322 1.00 0.00 C ATOM 3 C MET A 1 -16.352 12.739 6.556 1.00 0.00 C ATOM 4 O MET A 1 -16.995 13.412 7.335 1.00 0.00 O ATOM 5 CB MET A 1 -16.888 10.589 5.406 1.00 0.00 C ATOM 6 CG MET A 1 -18.273 9.963 5.234 1.00 0.00 C ATOM 7 SD MET A 1 -18.165 8.177 5.511 1.00 0.00 S ATOM 8 CE MET A 1 -19.313 8.096 6.906 1.00 0.00 C ATOM 0 H1 MET A 1 -16.749 12.170 3.256 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.385 13.632 4.040 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.305 12.325 4.135 1.00 0.00 H new ATOM 0 HA MET A 1 -18.054 12.396 5.280 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.213 10.221 4.634 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.463 10.298 6.366 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.976 10.409 5.938 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.653 10.164 4.233 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.400 7.064 7.246 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.940 8.716 7.721 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.292 8.459 6.593 1.00 0.00 H new ATOM 20 N GLU A 2 -15.077 12.525 6.738 1.00 0.00 N ATOM 21 CA GLU A 2 -14.385 13.109 7.919 1.00 0.00 C ATOM 22 C GLU A 2 -12.902 12.709 7.887 1.00 0.00 C ATOM 23 O GLU A 2 -12.041 13.559 7.771 1.00 0.00 O ATOM 24 CB GLU A 2 -15.065 12.610 9.207 1.00 0.00 C ATOM 25 CG GLU A 2 -14.061 12.572 10.366 1.00 0.00 C ATOM 26 CD GLU A 2 -14.741 12.002 11.613 1.00 0.00 C ATOM 27 OE1 GLU A 2 -15.414 12.758 12.294 1.00 0.00 O ATOM 28 OE2 GLU A 2 -14.576 10.820 11.866 1.00 0.00 O ATOM 0 H GLU A 2 -14.486 11.971 6.119 1.00 0.00 H new ATOM 0 HA GLU A 2 -14.450 14.197 7.894 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.899 13.264 9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.479 11.615 9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.201 11.959 10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.687 13.575 10.570 1.00 0.00 H new ATOM 35 N PRO A 3 -12.643 11.427 7.983 1.00 0.00 N ATOM 36 CA PRO A 3 -11.280 10.916 7.959 1.00 0.00 C ATOM 37 C PRO A 3 -10.681 11.084 6.559 1.00 0.00 C ATOM 38 O PRO A 3 -11.360 11.464 5.625 1.00 0.00 O ATOM 39 CB PRO A 3 -11.419 9.439 8.313 1.00 0.00 C ATOM 40 CG PRO A 3 -12.879 9.101 7.880 1.00 0.00 C ATOM 41 CD PRO A 3 -13.692 10.404 8.123 1.00 0.00 C ATOM 0 HA PRO A 3 -10.620 11.442 8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.690 8.828 7.781 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.265 9.264 9.378 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.919 8.802 6.833 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.280 8.273 8.464 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.491 10.532 7.393 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.155 10.422 9.110 1.00 0.00 H new ATOM 49 N LYS A 4 -9.417 10.803 6.406 1.00 0.00 N ATOM 50 CA LYS A 4 -8.781 10.947 5.067 1.00 0.00 C ATOM 51 C LYS A 4 -7.798 9.796 4.843 1.00 0.00 C ATOM 52 O LYS A 4 -6.732 9.755 5.424 1.00 0.00 O ATOM 53 CB LYS A 4 -8.033 12.281 4.999 1.00 0.00 C ATOM 54 CG LYS A 4 -9.040 13.427 4.895 1.00 0.00 C ATOM 55 CD LYS A 4 -8.819 14.187 3.586 1.00 0.00 C ATOM 56 CE LYS A 4 -9.217 15.654 3.772 1.00 0.00 C ATOM 57 NZ LYS A 4 -9.412 16.289 2.439 1.00 0.00 N ATOM 0 H LYS A 4 -8.798 10.480 7.149 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.549 10.922 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.413 12.408 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.364 12.291 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.057 13.036 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.927 14.102 5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.773 14.118 3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.410 13.737 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.135 15.722 4.356 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.444 16.184 4.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.682 17.285 2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.526 16.237 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.164 15.789 1.923 1.00 0.00 H new ATOM 71 N ARG A 5 -8.150 8.858 4.006 1.00 0.00 N ATOM 72 CA ARG A 5 -7.236 7.710 3.747 1.00 0.00 C ATOM 73 C ARG A 5 -7.062 6.898 5.034 1.00 0.00 C ATOM 74 O ARG A 5 -6.604 7.403 6.040 1.00 0.00 O ATOM 75 CB ARG A 5 -5.874 8.233 3.287 1.00 0.00 C ATOM 76 CG ARG A 5 -6.075 9.339 2.250 1.00 0.00 C ATOM 77 CD ARG A 5 -5.452 10.636 2.766 1.00 0.00 C ATOM 78 NE ARG A 5 -4.574 11.217 1.711 1.00 0.00 N ATOM 79 CZ ARG A 5 -5.003 12.208 0.979 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.954 13.428 1.441 1.00 0.00 N ATOM 81 NH2 ARG A 5 -5.480 11.981 -0.213 1.00 0.00 N ATOM 0 H ARG A 5 -9.030 8.837 3.491 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.662 7.076 2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.313 8.617 4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.287 7.421 2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.616 9.053 1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.138 9.484 2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.234 11.346 3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.874 10.441 3.669 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.638 10.840 1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.581 13.606 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -5.289 14.204 0.870 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.518 11.028 -0.574 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.815 12.757 -0.784 1.00 0.00 H new ATOM 95 N ILE A 6 -7.423 5.645 5.008 1.00 0.00 N ATOM 96 CA ILE A 6 -7.279 4.803 6.228 1.00 0.00 C ATOM 97 C ILE A 6 -5.887 5.007 6.830 1.00 0.00 C ATOM 98 O ILE A 6 -5.733 5.603 7.878 1.00 0.00 O ATOM 99 CB ILE A 6 -7.464 3.332 5.856 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.867 3.127 5.280 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.296 2.464 7.102 1.00 0.00 C ATOM 102 CD1 ILE A 6 -8.937 1.772 4.573 1.00 0.00 C ATOM 0 H ILE A 6 -7.812 5.168 4.194 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.035 5.091 6.959 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.718 3.049 5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.609 3.172 6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.104 3.927 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.428 1.415 6.835 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.298 2.610 7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.042 2.746 7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.936 1.627 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.206 1.745 3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.719 0.978 5.287 1.00 0.00 H new ATOM 114 N ARG A 7 -4.869 4.515 6.176 1.00 0.00 N ATOM 115 CA ARG A 7 -3.489 4.682 6.715 1.00 0.00 C ATOM 116 C ARG A 7 -2.774 5.807 5.967 1.00 0.00 C ATOM 117 O ARG A 7 -3.240 6.289 4.954 1.00 0.00 O ATOM 118 CB ARG A 7 -2.712 3.376 6.543 1.00 0.00 C ATOM 119 CG ARG A 7 -2.601 2.670 7.895 1.00 0.00 C ATOM 120 CD ARG A 7 -1.312 3.106 8.592 1.00 0.00 C ATOM 121 NE ARG A 7 -1.639 4.039 9.708 1.00 0.00 N ATOM 122 CZ ARG A 7 -1.014 5.179 9.809 1.00 0.00 C ATOM 123 NH1 ARG A 7 0.289 5.206 9.862 1.00 0.00 N ATOM 124 NH2 ARG A 7 -1.692 6.294 9.856 1.00 0.00 N ATOM 0 H ARG A 7 -4.933 4.006 5.294 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.544 4.935 7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.217 2.731 5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.718 3.581 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.463 2.913 8.516 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.604 1.589 7.754 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.782 2.235 8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.648 3.594 7.879 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.352 3.786 10.392 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.819 4.335 9.824 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.778 6.098 9.941 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.711 6.273 9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.203 7.185 9.935 1.00 0.00 H new ATOM 138 N GLU A 8 -1.641 6.225 6.459 1.00 0.00 N ATOM 139 CA GLU A 8 -0.883 7.312 5.777 1.00 0.00 C ATOM 140 C GLU A 8 0.311 7.718 6.630 1.00 0.00 C ATOM 141 O GLU A 8 0.195 7.944 7.818 1.00 0.00 O ATOM 142 CB GLU A 8 -1.774 8.535 5.564 1.00 0.00 C ATOM 143 CG GLU A 8 -2.405 8.950 6.896 1.00 0.00 C ATOM 144 CD GLU A 8 -3.855 8.466 6.952 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.372 8.087 5.915 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.423 8.484 8.030 1.00 0.00 O ATOM 0 H GLU A 8 -1.206 5.860 7.306 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.545 6.940 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.187 9.358 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.553 8.307 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.838 8.527 7.725 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.369 10.034 7.005 1.00 0.00 H new ATOM 153 N GLY A 9 1.455 7.817 6.027 1.00 0.00 N ATOM 154 CA GLY A 9 2.665 8.216 6.789 1.00 0.00 C ATOM 155 C GLY A 9 3.829 8.422 5.822 1.00 0.00 C ATOM 156 O GLY A 9 3.661 8.897 4.717 1.00 0.00 O ATOM 0 H GLY A 9 1.607 7.638 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.472 9.134 7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.917 7.448 7.520 1.00 0.00 H new ATOM 160 N TYR A 10 5.007 8.062 6.237 1.00 0.00 N ATOM 161 CA TYR A 10 6.201 8.226 5.358 1.00 0.00 C ATOM 162 C TYR A 10 6.900 6.874 5.191 1.00 0.00 C ATOM 163 O TYR A 10 7.540 6.375 6.095 1.00 0.00 O ATOM 164 CB TYR A 10 7.182 9.235 5.976 1.00 0.00 C ATOM 165 CG TYR A 10 6.888 9.414 7.448 1.00 0.00 C ATOM 166 CD1 TYR A 10 7.040 8.336 8.329 1.00 0.00 C ATOM 167 CD2 TYR A 10 6.458 10.658 7.931 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.765 8.501 9.693 1.00 0.00 C ATOM 169 CE2 TYR A 10 6.182 10.824 9.294 1.00 0.00 C ATOM 170 CZ TYR A 10 6.335 9.745 10.176 1.00 0.00 C ATOM 171 OH TYR A 10 6.063 9.908 11.518 1.00 0.00 O ATOM 0 H TYR A 10 5.199 7.658 7.154 1.00 0.00 H new ATOM 0 HA TYR A 10 5.877 8.597 4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.206 8.887 5.842 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.101 10.193 5.462 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.369 7.377 7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.339 11.489 7.251 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.884 7.670 10.372 1.00 0.00 H new ATOM 0 HE2 TYR A 10 5.851 11.783 9.665 1.00 0.00 H new ATOM 0 HH TYR A 10 5.778 10.831 11.684 1.00 0.00 H new ATOM 181 N LEU A 11 6.778 6.280 4.037 1.00 0.00 N ATOM 182 CA LEU A 11 7.427 4.959 3.790 1.00 0.00 C ATOM 183 C LEU A 11 8.395 5.095 2.622 1.00 0.00 C ATOM 184 O LEU A 11 8.502 6.137 2.025 1.00 0.00 O ATOM 185 CB LEU A 11 6.359 3.936 3.411 1.00 0.00 C ATOM 186 CG LEU A 11 5.765 3.271 4.655 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.767 4.231 5.849 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.334 2.855 4.344 1.00 0.00 C ATOM 0 H LEU A 11 6.253 6.655 3.247 1.00 0.00 H new ATOM 0 HA LEU A 11 7.954 4.637 4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.567 4.426 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.793 3.176 2.761 1.00 0.00 H new ATOM 0 HG LEU A 11 6.371 2.404 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.339 3.731 6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.790 4.533 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.173 5.112 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.895 2.379 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.749 3.735 4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.332 2.153 3.510 1.00 0.00 H new ATOM 200 N VAL A 12 9.084 4.048 2.273 1.00 0.00 N ATOM 201 CA VAL A 12 10.017 4.140 1.117 1.00 0.00 C ATOM 202 C VAL A 12 9.635 3.067 0.095 1.00 0.00 C ATOM 203 O VAL A 12 9.584 1.892 0.400 1.00 0.00 O ATOM 204 CB VAL A 12 11.459 3.943 1.592 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.523 2.778 2.576 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.360 3.650 0.391 1.00 0.00 C ATOM 0 H VAL A 12 9.043 3.139 2.733 1.00 0.00 H new ATOM 0 HA VAL A 12 9.945 5.124 0.654 1.00 0.00 H new ATOM 0 HB VAL A 12 11.801 4.852 2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.551 2.641 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.886 2.992 3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.177 1.868 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.386 3.510 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.017 2.744 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.320 4.487 -0.307 1.00 0.00 H new ATOM 216 N LYS A 13 9.349 3.468 -1.114 1.00 0.00 N ATOM 217 CA LYS A 13 8.950 2.478 -2.156 1.00 0.00 C ATOM 218 C LYS A 13 10.121 2.245 -3.113 1.00 0.00 C ATOM 219 O LYS A 13 10.675 3.173 -3.667 1.00 0.00 O ATOM 220 CB LYS A 13 7.748 3.020 -2.936 1.00 0.00 C ATOM 221 CG LYS A 13 6.936 1.857 -3.514 1.00 0.00 C ATOM 222 CD LYS A 13 5.587 1.761 -2.795 1.00 0.00 C ATOM 223 CE LYS A 13 5.457 0.390 -2.134 1.00 0.00 C ATOM 224 NZ LYS A 13 5.515 -0.670 -3.179 1.00 0.00 N ATOM 0 H LYS A 13 9.374 4.439 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 13 8.680 1.535 -1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.120 3.623 -2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.089 3.672 -3.740 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.780 2.006 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.487 0.924 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.506 2.547 -2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.773 1.913 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.258 0.246 -1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.517 0.326 -1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.084 -1.543 -2.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.995 -0.355 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.507 -0.854 -3.433 1.00 0.00 H new ATOM 238 N LYS A 14 10.506 1.012 -3.310 1.00 0.00 N ATOM 239 CA LYS A 14 11.647 0.733 -4.232 1.00 0.00 C ATOM 240 C LYS A 14 11.195 0.941 -5.679 1.00 0.00 C ATOM 241 O LYS A 14 10.564 0.088 -6.272 1.00 0.00 O ATOM 242 CB LYS A 14 12.115 -0.713 -4.049 1.00 0.00 C ATOM 243 CG LYS A 14 13.598 -0.828 -4.403 1.00 0.00 C ATOM 244 CD LYS A 14 13.978 -2.305 -4.521 1.00 0.00 C ATOM 245 CE LYS A 14 15.465 -2.427 -4.854 1.00 0.00 C ATOM 246 NZ LYS A 14 15.670 -3.561 -5.799 1.00 0.00 N ATOM 0 H LYS A 14 10.084 0.191 -2.876 1.00 0.00 H new ATOM 0 HA LYS A 14 12.469 1.411 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.952 -1.030 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.528 -1.378 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.800 -0.313 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.205 -0.345 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.761 -2.823 -3.587 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.381 -2.784 -5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.827 -1.500 -5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.041 -2.590 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.671 -3.842 -5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.082 -4.367 -5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.400 -3.266 -6.759 1.00 0.00 H new ATOM 260 N GLY A 15 11.512 2.070 -6.253 1.00 0.00 N ATOM 261 CA GLY A 15 11.100 2.330 -7.662 1.00 0.00 C ATOM 262 C GLY A 15 12.000 1.537 -8.612 1.00 0.00 C ATOM 263 O GLY A 15 12.911 0.852 -8.192 1.00 0.00 O ATOM 0 H GLY A 15 12.038 2.822 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.058 2.043 -7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.170 3.395 -7.882 1.00 0.00 H new ATOM 267 N SER A 16 11.754 1.625 -9.889 1.00 0.00 N ATOM 268 CA SER A 16 12.596 0.877 -10.864 1.00 0.00 C ATOM 269 C SER A 16 13.659 1.811 -11.445 1.00 0.00 C ATOM 270 O SER A 16 13.352 2.760 -12.137 1.00 0.00 O ATOM 271 CB SER A 16 11.715 0.343 -11.994 1.00 0.00 C ATOM 272 OG SER A 16 12.488 -0.508 -12.830 1.00 0.00 O ATOM 0 H SER A 16 11.006 2.183 -10.300 1.00 0.00 H new ATOM 0 HA SER A 16 13.083 0.044 -10.357 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.868 -0.205 -11.582 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.308 1.170 -12.575 1.00 0.00 H new ATOM 0 HG SER A 16 11.926 -0.853 -13.555 1.00 0.00 H new ATOM 278 N VAL A 17 14.908 1.551 -11.167 1.00 0.00 N ATOM 279 CA VAL A 17 15.988 2.426 -11.703 1.00 0.00 C ATOM 280 C VAL A 17 17.345 1.744 -11.507 1.00 0.00 C ATOM 281 O VAL A 17 18.170 1.715 -12.398 1.00 0.00 O ATOM 282 CB VAL A 17 15.976 3.763 -10.959 1.00 0.00 C ATOM 283 CG1 VAL A 17 16.063 3.509 -9.452 1.00 0.00 C ATOM 284 CG2 VAL A 17 17.175 4.604 -11.404 1.00 0.00 C ATOM 0 H VAL A 17 15.226 0.771 -10.592 1.00 0.00 H new ATOM 0 HA VAL A 17 15.821 2.599 -12.766 1.00 0.00 H new ATOM 0 HB VAL A 17 15.053 4.297 -11.185 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.055 4.461 -8.921 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.210 2.909 -9.134 1.00 0.00 H new ATOM 0 HG13 VAL A 17 16.986 2.976 -9.226 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.168 5.557 -10.875 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.098 4.070 -11.177 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.114 4.785 -12.477 1.00 0.00 H new ATOM 294 N PHE A 18 17.581 1.197 -10.346 1.00 0.00 N ATOM 295 CA PHE A 18 18.884 0.517 -10.092 1.00 0.00 C ATOM 296 C PHE A 18 18.853 -0.142 -8.711 1.00 0.00 C ATOM 297 O PHE A 18 19.763 0.009 -7.920 1.00 0.00 O ATOM 298 CB PHE A 18 20.015 1.547 -10.142 1.00 0.00 C ATOM 299 CG PHE A 18 20.844 1.329 -11.386 1.00 0.00 C ATOM 300 CD1 PHE A 18 21.661 0.195 -11.495 1.00 0.00 C ATOM 301 CD2 PHE A 18 20.795 2.262 -12.431 1.00 0.00 C ATOM 302 CE1 PHE A 18 22.430 -0.005 -12.650 1.00 0.00 C ATOM 303 CE2 PHE A 18 21.565 2.061 -13.585 1.00 0.00 C ATOM 304 CZ PHE A 18 22.382 0.928 -13.694 1.00 0.00 C ATOM 0 H PHE A 18 16.928 1.191 -9.562 1.00 0.00 H new ATOM 0 HA PHE A 18 19.053 -0.244 -10.854 1.00 0.00 H new ATOM 0 HB2 PHE A 18 19.602 2.556 -10.140 1.00 0.00 H new ATOM 0 HB3 PHE A 18 20.642 1.457 -9.255 1.00 0.00 H new ATOM 0 HD1 PHE A 18 21.698 -0.524 -10.690 1.00 0.00 H new ATOM 0 HD2 PHE A 18 20.165 3.135 -12.347 1.00 0.00 H new ATOM 0 HE1 PHE A 18 23.060 -0.878 -12.735 1.00 0.00 H new ATOM 0 HE2 PHE A 18 21.528 2.780 -14.390 1.00 0.00 H new ATOM 0 HZ PHE A 18 22.975 0.774 -14.583 1.00 0.00 H new ATOM 314 N ASN A 19 17.813 -0.872 -8.416 1.00 0.00 N ATOM 315 CA ASN A 19 17.721 -1.541 -7.087 1.00 0.00 C ATOM 316 C ASN A 19 18.014 -0.524 -5.981 1.00 0.00 C ATOM 317 O ASN A 19 18.975 -0.650 -5.249 1.00 0.00 O ATOM 318 CB ASN A 19 18.740 -2.681 -7.016 1.00 0.00 C ATOM 319 CG ASN A 19 18.712 -3.476 -8.322 1.00 0.00 C ATOM 320 OD1 ASN A 19 17.692 -4.021 -8.693 1.00 0.00 O ATOM 321 ND2 ASN A 19 19.798 -3.564 -9.041 1.00 0.00 N ATOM 0 H ASN A 19 17.022 -1.035 -9.039 1.00 0.00 H new ATOM 0 HA ASN A 19 16.717 -1.944 -6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.739 -2.279 -6.844 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.511 -3.335 -6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 19 19.790 -4.091 -9.915 1.00 0.00 H new ATOM 0 HD22 ASN A 19 20.655 -3.106 -8.729 1.00 0.00 H new ATOM 328 N THR A 20 17.191 0.480 -5.852 1.00 0.00 N ATOM 329 CA THR A 20 17.421 1.502 -4.791 1.00 0.00 C ATOM 330 C THR A 20 16.133 1.704 -3.992 1.00 0.00 C ATOM 331 O THR A 20 15.057 1.356 -4.434 1.00 0.00 O ATOM 332 CB THR A 20 17.831 2.829 -5.431 1.00 0.00 C ATOM 333 OG1 THR A 20 17.160 2.981 -6.674 1.00 0.00 O ATOM 334 CG2 THR A 20 19.342 2.845 -5.660 1.00 0.00 C ATOM 0 H THR A 20 16.369 0.637 -6.435 1.00 0.00 H new ATOM 0 HA THR A 20 18.216 1.159 -4.128 1.00 0.00 H new ATOM 0 HB THR A 20 17.559 3.650 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 20 17.421 3.832 -7.084 1.00 0.00 H new ATOM 0 HG21 THR A 20 19.631 3.792 -6.116 1.00 0.00 H new ATOM 0 HG22 THR A 20 19.856 2.730 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 20 19.618 2.024 -6.322 1.00 0.00 H new ATOM 342 N TRP A 21 16.233 2.267 -2.819 1.00 0.00 N ATOM 343 CA TRP A 21 15.014 2.492 -1.994 1.00 0.00 C ATOM 344 C TRP A 21 14.929 3.968 -1.602 1.00 0.00 C ATOM 345 O TRP A 21 15.800 4.495 -0.939 1.00 0.00 O ATOM 346 CB TRP A 21 15.091 1.628 -0.733 1.00 0.00 C ATOM 347 CG TRP A 21 14.701 0.227 -1.073 1.00 0.00 C ATOM 348 CD1 TRP A 21 15.488 -0.659 -1.726 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.448 -0.465 -0.796 1.00 0.00 C ATOM 350 NE1 TRP A 21 14.796 -1.846 -1.873 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.537 -1.779 -1.314 1.00 0.00 C ATOM 352 CE3 TRP A 21 12.254 -0.084 -0.152 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.481 -2.683 -1.198 1.00 0.00 C ATOM 354 CZ3 TRP A 21 11.188 -0.993 -0.034 1.00 0.00 C ATOM 355 CH2 TRP A 21 11.304 -2.289 -0.555 1.00 0.00 C ATOM 0 H TRP A 21 17.107 2.581 -2.397 1.00 0.00 H new ATOM 0 HA TRP A 21 14.128 2.220 -2.567 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.102 1.648 -0.325 1.00 0.00 H new ATOM 0 HB3 TRP A 21 14.429 2.026 0.036 1.00 0.00 H new ATOM 0 HD1 TRP A 21 16.492 -0.470 -2.075 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.171 -2.672 -2.339 1.00 0.00 H new ATOM 0 HE3 TRP A 21 12.157 0.912 0.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.572 -3.680 -1.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.276 -0.691 0.460 1.00 0.00 H new ATOM 0 HH2 TRP A 21 10.483 -2.984 -0.460 1.00 0.00 H new ATOM 366 N LYS A 22 13.887 4.641 -2.008 1.00 0.00 N ATOM 367 CA LYS A 22 13.753 6.083 -1.659 1.00 0.00 C ATOM 368 C LYS A 22 12.444 6.309 -0.885 1.00 0.00 C ATOM 369 O LYS A 22 11.392 5.871 -1.316 1.00 0.00 O ATOM 370 CB LYS A 22 13.729 6.915 -2.942 1.00 0.00 C ATOM 371 CG LYS A 22 14.821 6.422 -3.894 1.00 0.00 C ATOM 372 CD LYS A 22 15.734 7.589 -4.272 1.00 0.00 C ATOM 373 CE LYS A 22 17.164 7.080 -4.456 1.00 0.00 C ATOM 374 NZ LYS A 22 18.107 8.234 -4.463 1.00 0.00 N ATOM 0 H LYS A 22 13.125 4.255 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 22 14.598 6.384 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.753 6.836 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.885 7.968 -2.708 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.402 5.631 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.371 5.994 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.382 8.057 -5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.706 8.353 -3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.422 6.391 -3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.246 6.524 -5.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 19.079 7.887 -4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.865 8.875 -5.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 18.036 8.746 -3.561 1.00 0.00 H new ATOM 388 N PRO A 23 12.543 6.986 0.236 1.00 0.00 N ATOM 389 CA PRO A 23 11.379 7.275 1.064 1.00 0.00 C ATOM 390 C PRO A 23 10.304 7.987 0.233 1.00 0.00 C ATOM 391 O PRO A 23 10.473 8.224 -0.946 1.00 0.00 O ATOM 392 CB PRO A 23 11.903 8.189 2.166 1.00 0.00 C ATOM 393 CG PRO A 23 13.429 7.870 2.213 1.00 0.00 C ATOM 394 CD PRO A 23 13.820 7.498 0.756 1.00 0.00 C ATOM 0 HA PRO A 23 10.919 6.373 1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.720 9.239 1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.421 7.982 3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.999 8.730 2.565 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.637 7.048 2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.177 8.361 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.609 6.747 0.721 1.00 0.00 H new ATOM 402 N MET A 24 9.200 8.319 0.846 1.00 0.00 N ATOM 403 CA MET A 24 8.096 9.000 0.118 1.00 0.00 C ATOM 404 C MET A 24 6.855 9.020 1.005 1.00 0.00 C ATOM 405 O MET A 24 6.797 8.354 2.020 1.00 0.00 O ATOM 406 CB MET A 24 7.756 8.227 -1.155 1.00 0.00 C ATOM 407 CG MET A 24 7.385 6.785 -0.803 1.00 0.00 C ATOM 408 SD MET A 24 7.732 5.710 -2.219 1.00 0.00 S ATOM 409 CE MET A 24 6.135 5.900 -3.053 1.00 0.00 C ATOM 0 H MET A 24 9.016 8.144 1.834 1.00 0.00 H new ATOM 0 HA MET A 24 8.409 10.013 -0.135 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.927 8.709 -1.674 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.607 8.237 -1.836 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.953 6.454 0.066 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.330 6.724 -0.537 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.024 5.122 -3.809 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.331 5.814 -2.323 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.088 6.879 -3.530 1.00 0.00 H new ATOM 419 N TRP A 25 5.852 9.754 0.621 1.00 0.00 N ATOM 420 CA TRP A 25 4.610 9.779 1.434 1.00 0.00 C ATOM 421 C TRP A 25 3.665 8.721 0.898 1.00 0.00 C ATOM 422 O TRP A 25 3.716 8.355 -0.260 1.00 0.00 O ATOM 423 CB TRP A 25 3.941 11.149 1.347 1.00 0.00 C ATOM 424 CG TRP A 25 2.808 11.203 2.323 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.495 11.127 1.997 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.863 11.338 3.772 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.741 11.214 3.155 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.539 11.345 4.275 1.00 0.00 C ATOM 429 CE3 TRP A 25 3.923 11.456 4.690 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.278 11.466 5.642 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.665 11.575 6.067 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.344 11.582 6.541 1.00 0.00 C ATOM 0 H TRP A 25 5.839 10.335 -0.217 1.00 0.00 H new ATOM 0 HA TRP A 25 4.855 9.580 2.477 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.664 11.935 1.566 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.575 11.325 0.336 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.101 11.017 0.997 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.278 11.185 3.178 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.943 11.455 4.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.260 11.470 6.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.487 11.661 6.763 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.150 11.677 7.599 1.00 0.00 H new ATOM 443 N VAL A 26 2.822 8.203 1.732 1.00 0.00 N ATOM 444 CA VAL A 26 1.902 7.146 1.266 1.00 0.00 C ATOM 445 C VAL A 26 0.598 7.214 2.062 1.00 0.00 C ATOM 446 O VAL A 26 0.578 7.626 3.202 1.00 0.00 O ATOM 447 CB VAL A 26 2.609 5.797 1.448 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.552 5.862 2.650 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.590 4.670 1.649 1.00 0.00 C ATOM 0 H VAL A 26 2.730 8.465 2.714 1.00 0.00 H new ATOM 0 HA VAL A 26 1.647 7.277 0.214 1.00 0.00 H new ATOM 0 HB VAL A 26 3.184 5.586 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.051 4.901 2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.298 6.639 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.980 6.092 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.115 3.723 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.991 4.875 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.938 4.609 0.778 1.00 0.00 H new ATOM 459 N VAL A 27 -0.496 6.828 1.461 1.00 0.00 N ATOM 460 CA VAL A 27 -1.797 6.887 2.184 1.00 0.00 C ATOM 461 C VAL A 27 -2.681 5.710 1.777 1.00 0.00 C ATOM 462 O VAL A 27 -3.146 5.622 0.653 1.00 0.00 O ATOM 463 CB VAL A 27 -2.516 8.191 1.838 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.854 9.353 2.580 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.429 8.432 0.330 1.00 0.00 C ATOM 0 H VAL A 27 -0.544 6.476 0.505 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.604 6.840 3.256 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.562 8.121 2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.367 10.282 2.333 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.914 9.180 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.808 9.426 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.941 9.361 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.383 8.503 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.901 7.604 -0.199 1.00 0.00 H new ATOM 475 N LEU A 28 -2.929 4.811 2.688 1.00 0.00 N ATOM 476 CA LEU A 28 -3.802 3.647 2.364 1.00 0.00 C ATOM 477 C LEU A 28 -5.267 4.090 2.415 1.00 0.00 C ATOM 478 O LEU A 28 -5.748 4.559 3.427 1.00 0.00 O ATOM 479 CB LEU A 28 -3.591 2.529 3.387 1.00 0.00 C ATOM 480 CG LEU A 28 -2.120 2.464 3.788 1.00 0.00 C ATOM 481 CD1 LEU A 28 -1.888 1.233 4.666 1.00 0.00 C ATOM 482 CD2 LEU A 28 -1.258 2.358 2.527 1.00 0.00 C ATOM 0 H LEU A 28 -2.566 4.831 3.641 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.550 3.280 1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.209 2.707 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.905 1.574 2.965 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.850 3.363 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.838 1.184 4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.507 1.302 5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.154 0.334 4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.206 2.311 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.527 1.456 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.427 3.231 1.897 1.00 0.00 H new ATOM 494 N LEU A 29 -5.982 3.940 1.336 1.00 0.00 N ATOM 495 CA LEU A 29 -7.417 4.346 1.332 1.00 0.00 C ATOM 496 C LEU A 29 -8.296 3.096 1.247 1.00 0.00 C ATOM 497 O LEU A 29 -7.869 2.054 0.789 1.00 0.00 O ATOM 498 CB LEU A 29 -7.692 5.260 0.135 1.00 0.00 C ATOM 499 CG LEU A 29 -6.894 6.557 0.295 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.932 6.711 -0.882 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.854 7.748 0.323 1.00 0.00 C ATOM 0 H LEU A 29 -5.637 3.554 0.457 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.646 4.887 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.412 4.759 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.757 5.481 0.069 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.329 6.522 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.364 7.634 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.247 5.863 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.498 6.745 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.285 8.671 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.419 7.782 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.543 7.640 1.161 1.00 0.00 H new ATOM 513 N GLU A 30 -9.516 3.189 1.696 1.00 0.00 N ATOM 514 CA GLU A 30 -10.421 2.005 1.657 1.00 0.00 C ATOM 515 C GLU A 30 -10.851 1.727 0.217 1.00 0.00 C ATOM 516 O GLU A 30 -11.244 0.628 -0.121 1.00 0.00 O ATOM 517 CB GLU A 30 -11.657 2.284 2.514 1.00 0.00 C ATOM 518 CG GLU A 30 -12.091 0.996 3.217 1.00 0.00 C ATOM 519 CD GLU A 30 -13.606 1.014 3.424 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.317 0.724 2.475 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.029 1.316 4.527 1.00 0.00 O ATOM 0 H GLU A 30 -9.927 4.035 2.089 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.893 1.135 2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.435 3.056 3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.467 2.662 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.805 0.130 2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.583 0.904 4.177 1.00 0.00 H new ATOM 528 N ASP A 31 -10.780 2.711 -0.635 1.00 0.00 N ATOM 529 CA ASP A 31 -11.186 2.498 -2.054 1.00 0.00 C ATOM 530 C ASP A 31 -9.940 2.254 -2.907 1.00 0.00 C ATOM 531 O ASP A 31 -9.995 2.253 -4.121 1.00 0.00 O ATOM 532 CB ASP A 31 -11.920 3.740 -2.563 1.00 0.00 C ATOM 533 CG ASP A 31 -13.425 3.560 -2.365 1.00 0.00 C ATOM 534 OD1 ASP A 31 -13.802 2.870 -1.432 1.00 0.00 O ATOM 535 OD2 ASP A 31 -14.177 4.116 -3.150 1.00 0.00 O ATOM 0 H ASP A 31 -10.459 3.653 -0.412 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.846 1.633 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.575 4.624 -2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.698 3.900 -3.618 1.00 0.00 H new ATOM 540 N GLY A 32 -8.815 2.051 -2.279 1.00 0.00 N ATOM 541 CA GLY A 32 -7.560 1.811 -3.045 1.00 0.00 C ATOM 542 C GLY A 32 -6.387 2.406 -2.269 1.00 0.00 C ATOM 543 O GLY A 32 -6.551 2.895 -1.172 1.00 0.00 O ATOM 0 H GLY A 32 -8.711 2.041 -1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.409 0.742 -3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.628 2.266 -4.033 1.00 0.00 H new ATOM 547 N ILE A 33 -5.206 2.373 -2.821 1.00 0.00 N ATOM 548 CA ILE A 33 -4.040 2.946 -2.094 1.00 0.00 C ATOM 549 C ILE A 33 -3.245 3.846 -3.037 1.00 0.00 C ATOM 550 O ILE A 33 -3.026 3.520 -4.187 1.00 0.00 O ATOM 551 CB ILE A 33 -3.145 1.812 -1.589 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.825 1.120 -0.408 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.797 2.380 -1.137 1.00 0.00 C ATOM 554 CD1 ILE A 33 -4.142 -0.330 -0.778 1.00 0.00 C ATOM 0 H ILE A 33 -4.999 1.977 -3.738 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.392 3.533 -1.246 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.982 1.094 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.176 1.149 0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.741 1.647 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.163 1.570 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.311 2.876 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.956 3.099 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.627 -0.823 0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.808 -0.348 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.218 -0.854 -1.022 1.00 0.00 H new ATOM 566 N GLU A 34 -2.809 4.979 -2.562 1.00 0.00 N ATOM 567 CA GLU A 34 -2.028 5.897 -3.439 1.00 0.00 C ATOM 568 C GLU A 34 -0.954 6.597 -2.608 1.00 0.00 C ATOM 569 O GLU A 34 -1.245 7.242 -1.620 1.00 0.00 O ATOM 570 CB GLU A 34 -2.965 6.941 -4.049 1.00 0.00 C ATOM 571 CG GLU A 34 -3.854 7.526 -2.953 1.00 0.00 C ATOM 572 CD GLU A 34 -5.200 7.940 -3.549 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.708 7.207 -4.382 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.701 8.983 -3.163 1.00 0.00 O ATOM 0 H GLU A 34 -2.958 5.309 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.556 5.325 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.386 7.733 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.579 6.485 -4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.006 6.791 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.367 8.388 -2.497 1.00 0.00 H new ATOM 581 N PHE A 35 0.285 6.474 -2.994 1.00 0.00 N ATOM 582 CA PHE A 35 1.365 7.137 -2.214 1.00 0.00 C ATOM 583 C PHE A 35 2.140 8.100 -3.116 1.00 0.00 C ATOM 584 O PHE A 35 2.408 7.815 -4.265 1.00 0.00 O ATOM 585 CB PHE A 35 2.315 6.079 -1.645 1.00 0.00 C ATOM 586 CG PHE A 35 2.550 4.993 -2.666 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.410 5.225 -3.748 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.917 3.751 -2.529 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.636 4.218 -4.693 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.142 2.743 -3.476 1.00 0.00 C ATOM 591 CZ PHE A 35 3.001 2.976 -4.557 1.00 0.00 C ATOM 0 H PHE A 35 0.595 5.947 -3.810 1.00 0.00 H new ATOM 0 HA PHE A 35 0.921 7.699 -1.392 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.263 6.541 -1.368 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.892 5.650 -0.736 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.899 6.182 -3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.256 3.570 -1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.299 4.398 -5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.653 1.786 -3.372 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.174 2.198 -5.286 1.00 0.00 H new ATOM 601 N TYR A 36 2.499 9.244 -2.598 1.00 0.00 N ATOM 602 CA TYR A 36 3.255 10.237 -3.417 1.00 0.00 C ATOM 603 C TYR A 36 4.585 10.543 -2.727 1.00 0.00 C ATOM 604 O TYR A 36 5.152 9.701 -2.063 1.00 0.00 O ATOM 605 CB TYR A 36 2.442 11.530 -3.545 1.00 0.00 C ATOM 606 CG TYR A 36 0.966 11.218 -3.470 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.391 10.846 -2.247 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.171 11.300 -4.620 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.979 10.556 -2.176 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.198 11.009 -4.550 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.773 10.638 -3.327 1.00 0.00 C ATOM 612 OH TYR A 36 -3.121 10.352 -3.257 1.00 0.00 O ATOM 0 H TYR A 36 2.301 9.535 -1.641 1.00 0.00 H new ATOM 0 HA TYR A 36 3.436 9.827 -4.410 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.717 12.223 -2.750 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.671 12.022 -4.490 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.003 10.783 -1.359 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.614 11.588 -5.562 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.422 10.269 -1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.810 11.071 -5.438 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.524 10.458 -4.144 1.00 0.00 H new ATOM 622 N LYS A 37 5.084 11.741 -2.870 1.00 0.00 N ATOM 623 CA LYS A 37 6.376 12.092 -2.209 1.00 0.00 C ATOM 624 C LYS A 37 6.085 12.744 -0.855 1.00 0.00 C ATOM 625 O LYS A 37 6.472 12.242 0.183 1.00 0.00 O ATOM 626 CB LYS A 37 7.157 13.070 -3.091 1.00 0.00 C ATOM 627 CG LYS A 37 8.642 12.701 -3.067 1.00 0.00 C ATOM 628 CD LYS A 37 9.082 12.255 -4.462 1.00 0.00 C ATOM 629 CE LYS A 37 10.213 11.232 -4.338 1.00 0.00 C ATOM 630 NZ LYS A 37 10.806 10.980 -5.682 1.00 0.00 N ATOM 0 H LYS A 37 4.656 12.490 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 37 6.969 11.189 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 37 6.779 13.037 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.019 14.090 -2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.235 13.557 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.817 11.902 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.240 11.818 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.417 13.115 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.978 11.601 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.832 10.302 -3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.575 10.285 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.073 10.610 -6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.184 11.869 -6.067 1.00 0.00 H new ATOM 644 N LYS A 38 5.396 13.852 -0.855 1.00 0.00 N ATOM 645 CA LYS A 38 5.069 14.527 0.433 1.00 0.00 C ATOM 646 C LYS A 38 3.662 14.112 0.861 1.00 0.00 C ATOM 647 O LYS A 38 3.028 13.308 0.207 1.00 0.00 O ATOM 648 CB LYS A 38 5.122 16.044 0.242 1.00 0.00 C ATOM 649 CG LYS A 38 6.249 16.623 1.098 1.00 0.00 C ATOM 650 CD LYS A 38 5.834 17.993 1.635 1.00 0.00 C ATOM 651 CE LYS A 38 6.868 18.475 2.653 1.00 0.00 C ATOM 652 NZ LYS A 38 7.399 19.802 2.233 1.00 0.00 N ATOM 0 H LYS A 38 5.045 14.319 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 38 5.789 14.238 1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.288 16.284 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.169 16.491 0.525 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.473 15.950 1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.159 16.714 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.754 18.708 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.851 17.930 2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.414 18.550 3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.682 17.754 2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.102 20.130 2.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.847 19.717 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.619 20.488 2.181 1.00 0.00 H new ATOM 666 N LYS A 39 3.162 14.645 1.947 1.00 0.00 N ATOM 667 CA LYS A 39 1.790 14.260 2.389 1.00 0.00 C ATOM 668 C LYS A 39 0.872 14.238 1.167 1.00 0.00 C ATOM 669 O LYS A 39 -0.084 13.488 1.105 1.00 0.00 O ATOM 670 CB LYS A 39 1.271 15.257 3.428 1.00 0.00 C ATOM 671 CG LYS A 39 -0.251 15.113 3.566 1.00 0.00 C ATOM 672 CD LYS A 39 -0.680 15.484 4.986 1.00 0.00 C ATOM 673 CE LYS A 39 0.215 14.758 5.985 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.609 14.228 7.109 1.00 0.00 N ATOM 0 H LYS A 39 3.640 15.323 2.541 1.00 0.00 H new ATOM 0 HA LYS A 39 1.812 13.272 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.752 15.078 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.524 16.274 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.753 15.757 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.550 14.089 3.342 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.608 16.562 5.131 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.723 15.210 5.147 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.740 13.941 5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.975 15.439 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.006 13.734 7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.090 15.016 7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.318 13.564 6.737 1.00 0.00 H new ATOM 688 N SER A 40 1.177 15.034 0.181 1.00 0.00 N ATOM 689 CA SER A 40 0.351 15.043 -1.057 1.00 0.00 C ATOM 690 C SER A 40 1.130 15.713 -2.179 1.00 0.00 C ATOM 691 O SER A 40 0.774 16.779 -2.640 1.00 0.00 O ATOM 692 CB SER A 40 -0.954 15.808 -0.846 1.00 0.00 C ATOM 693 OG SER A 40 -1.154 16.036 0.542 1.00 0.00 O ATOM 0 H SER A 40 1.966 15.681 0.180 1.00 0.00 H new ATOM 0 HA SER A 40 0.116 14.010 -1.314 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.921 16.758 -1.380 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.790 15.241 -1.256 1.00 0.00 H new ATOM 0 HG SER A 40 -1.991 16.528 0.675 1.00 0.00 H new ATOM 699 N ASP A 41 2.173 15.089 -2.655 1.00 0.00 N ATOM 700 CA ASP A 41 2.933 15.699 -3.777 1.00 0.00 C ATOM 701 C ASP A 41 1.930 16.125 -4.845 1.00 0.00 C ATOM 702 O ASP A 41 2.206 16.969 -5.674 1.00 0.00 O ATOM 703 CB ASP A 41 3.908 14.674 -4.359 1.00 0.00 C ATOM 704 CG ASP A 41 4.733 15.327 -5.470 1.00 0.00 C ATOM 705 OD1 ASP A 41 4.618 16.529 -5.637 1.00 0.00 O ATOM 706 OD2 ASP A 41 5.466 14.612 -6.135 1.00 0.00 O ATOM 0 H ASP A 41 2.527 14.193 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 41 3.504 16.559 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.566 14.297 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.360 13.818 -4.754 1.00 0.00 H new ATOM 711 N ASN A 42 0.769 15.522 -4.814 1.00 0.00 N ATOM 712 CA ASN A 42 -0.305 15.829 -5.794 1.00 0.00 C ATOM 713 C ASN A 42 -0.162 14.865 -6.970 1.00 0.00 C ATOM 714 O ASN A 42 -1.094 14.613 -7.707 1.00 0.00 O ATOM 715 CB ASN A 42 -0.196 17.276 -6.284 1.00 0.00 C ATOM 716 CG ASN A 42 -1.563 17.754 -6.778 1.00 0.00 C ATOM 717 OD1 ASN A 42 -1.720 18.090 -7.935 1.00 0.00 O ATOM 718 ND2 ASN A 42 -2.566 17.799 -5.944 1.00 0.00 N ATOM 0 H ASN A 42 0.519 14.810 -4.128 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.280 15.711 -5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.155 17.919 -5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.537 17.344 -7.088 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.481 18.116 -6.264 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.435 17.517 -4.973 1.00 0.00 H new ATOM 725 N SER A 43 1.010 14.310 -7.132 1.00 0.00 N ATOM 726 CA SER A 43 1.244 13.343 -8.239 1.00 0.00 C ATOM 727 C SER A 43 1.640 11.989 -7.631 1.00 0.00 C ATOM 728 O SER A 43 2.733 11.844 -7.122 1.00 0.00 O ATOM 729 CB SER A 43 2.381 13.851 -9.128 1.00 0.00 C ATOM 730 OG SER A 43 2.056 13.607 -10.490 1.00 0.00 O ATOM 0 H SER A 43 1.820 14.488 -6.539 1.00 0.00 H new ATOM 0 HA SER A 43 0.340 13.235 -8.838 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.537 14.917 -8.965 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.313 13.349 -8.869 1.00 0.00 H new ATOM 0 HG SER A 43 2.781 13.933 -11.063 1.00 0.00 H new ATOM 736 N PRO A 44 0.736 11.041 -7.682 1.00 0.00 N ATOM 737 CA PRO A 44 0.980 9.717 -7.124 1.00 0.00 C ATOM 738 C PRO A 44 2.033 8.967 -7.943 1.00 0.00 C ATOM 739 O PRO A 44 2.133 9.124 -9.144 1.00 0.00 O ATOM 740 CB PRO A 44 -0.371 9.013 -7.200 1.00 0.00 C ATOM 741 CG PRO A 44 -1.107 9.761 -8.355 1.00 0.00 C ATOM 742 CD PRO A 44 -0.584 11.223 -8.305 1.00 0.00 C ATOM 0 HA PRO A 44 1.364 9.762 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.258 7.951 -7.417 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.917 9.090 -6.260 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.893 9.301 -9.319 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.188 9.726 -8.218 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.511 11.667 -9.298 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.231 11.870 -7.713 1.00 0.00 H new ATOM 750 N LYS A 45 2.819 8.149 -7.296 1.00 0.00 N ATOM 751 CA LYS A 45 3.867 7.380 -8.023 1.00 0.00 C ATOM 752 C LYS A 45 3.405 5.931 -8.180 1.00 0.00 C ATOM 753 O LYS A 45 3.731 5.265 -9.143 1.00 0.00 O ATOM 754 CB LYS A 45 5.176 7.408 -7.226 1.00 0.00 C ATOM 755 CG LYS A 45 5.271 8.706 -6.421 1.00 0.00 C ATOM 756 CD LYS A 45 5.583 9.872 -7.362 1.00 0.00 C ATOM 757 CE LYS A 45 6.992 10.394 -7.079 1.00 0.00 C ATOM 758 NZ LYS A 45 7.872 10.116 -8.249 1.00 0.00 N ATOM 0 H LYS A 45 2.779 7.980 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 45 4.031 7.827 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.221 6.550 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.026 7.328 -7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.333 8.890 -5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.049 8.619 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.506 9.546 -8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.854 10.670 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.961 11.465 -6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.395 9.916 -6.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.830 10.472 -8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.911 9.091 -8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.490 10.592 -9.091 1.00 0.00 H new ATOM 772 N GLY A 46 2.649 5.439 -7.238 1.00 0.00 N ATOM 773 CA GLY A 46 2.163 4.033 -7.326 1.00 0.00 C ATOM 774 C GLY A 46 0.862 3.893 -6.532 1.00 0.00 C ATOM 775 O GLY A 46 0.689 4.499 -5.493 1.00 0.00 O ATOM 0 H GLY A 46 2.346 5.951 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.997 3.759 -8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.917 3.351 -6.933 1.00 0.00 H new ATOM 779 N MET A 47 -0.056 3.101 -7.015 1.00 0.00 N ATOM 780 CA MET A 47 -1.344 2.927 -6.287 1.00 0.00 C ATOM 781 C MET A 47 -1.686 1.437 -6.200 1.00 0.00 C ATOM 782 O MET A 47 -1.564 0.705 -7.160 1.00 0.00 O ATOM 783 CB MET A 47 -2.456 3.662 -7.036 1.00 0.00 C ATOM 784 CG MET A 47 -1.974 5.061 -7.425 1.00 0.00 C ATOM 785 SD MET A 47 -2.968 5.681 -8.805 1.00 0.00 S ATOM 786 CE MET A 47 -1.643 6.570 -9.660 1.00 0.00 C ATOM 0 H MET A 47 0.030 2.568 -7.880 1.00 0.00 H new ATOM 0 HA MET A 47 -1.250 3.337 -5.281 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.739 3.103 -7.928 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.345 3.734 -6.409 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.056 5.735 -6.573 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.921 5.029 -7.707 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.002 7.553 -9.965 1.00 0.00 H new ATOM 0 HE2 MET A 47 -0.792 6.687 -8.989 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.336 6.006 -10.541 1.00 0.00 H new ATOM 796 N ILE A 48 -2.113 0.986 -5.053 1.00 0.00 N ATOM 797 CA ILE A 48 -2.465 -0.455 -4.901 1.00 0.00 C ATOM 798 C ILE A 48 -3.974 -0.633 -5.116 1.00 0.00 C ATOM 799 O ILE A 48 -4.761 -0.243 -4.275 1.00 0.00 O ATOM 800 CB ILE A 48 -2.094 -0.923 -3.493 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.836 -0.189 -3.025 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.829 -2.430 -3.508 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.219 -0.221 -4.133 1.00 0.00 C ATOM 0 H ILE A 48 -2.234 1.553 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.918 -1.045 -5.636 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.916 -0.706 -2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.078 0.843 -2.769 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.444 -0.657 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.565 -2.763 -2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.726 -2.954 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.008 -2.648 -4.191 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.115 0.302 -3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.470 -1.256 -4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.175 0.268 -5.024 1.00 0.00 H new ATOM 815 N PRO A 49 -4.338 -1.214 -6.233 1.00 0.00 N ATOM 816 CA PRO A 49 -5.739 -1.441 -6.556 1.00 0.00 C ATOM 817 C PRO A 49 -6.324 -2.519 -5.641 1.00 0.00 C ATOM 818 O PRO A 49 -5.879 -3.650 -5.633 1.00 0.00 O ATOM 819 CB PRO A 49 -5.727 -1.908 -8.009 1.00 0.00 C ATOM 820 CG PRO A 49 -4.297 -2.508 -8.187 1.00 0.00 C ATOM 821 CD PRO A 49 -3.377 -1.684 -7.244 1.00 0.00 C ATOM 0 HA PRO A 49 -6.352 -0.550 -6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.501 -2.652 -8.198 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.904 -1.082 -8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.280 -3.566 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.966 -2.431 -9.223 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.587 -2.294 -6.806 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.891 -0.858 -7.764 1.00 0.00 H new ATOM 829 N LEU A 50 -7.320 -2.177 -4.868 1.00 0.00 N ATOM 830 CA LEU A 50 -7.935 -3.179 -3.950 1.00 0.00 C ATOM 831 C LEU A 50 -8.566 -4.314 -4.764 1.00 0.00 C ATOM 832 O LEU A 50 -8.975 -5.323 -4.225 1.00 0.00 O ATOM 833 CB LEU A 50 -9.013 -2.497 -3.103 1.00 0.00 C ATOM 834 CG LEU A 50 -8.475 -2.250 -1.692 1.00 0.00 C ATOM 835 CD1 LEU A 50 -7.507 -1.066 -1.711 1.00 0.00 C ATOM 836 CD2 LEU A 50 -9.639 -1.939 -0.748 1.00 0.00 C ATOM 0 H LEU A 50 -7.735 -1.246 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.164 -3.592 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.307 -1.553 -3.562 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.905 -3.122 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.952 -3.141 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.125 -0.892 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.676 -1.286 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.029 -0.175 -2.060 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.255 -1.763 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.163 -1.049 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.329 -2.783 -0.731 1.00 0.00 H new ATOM 848 N LYS A 51 -8.652 -4.158 -6.058 1.00 0.00 N ATOM 849 CA LYS A 51 -9.259 -5.226 -6.900 1.00 0.00 C ATOM 850 C LYS A 51 -8.722 -6.594 -6.471 1.00 0.00 C ATOM 851 O LYS A 51 -9.432 -7.395 -5.894 1.00 0.00 O ATOM 852 CB LYS A 51 -8.907 -4.978 -8.366 1.00 0.00 C ATOM 853 CG LYS A 51 -10.120 -5.299 -9.242 1.00 0.00 C ATOM 854 CD LYS A 51 -10.558 -4.038 -9.990 1.00 0.00 C ATOM 855 CE LYS A 51 -10.387 -4.254 -11.495 1.00 0.00 C ATOM 856 NZ LYS A 51 -10.792 -3.019 -12.223 1.00 0.00 N ATOM 0 H LYS A 51 -8.328 -3.336 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.342 -5.211 -6.775 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.606 -3.940 -8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.060 -5.598 -8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.871 -6.088 -9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.938 -5.672 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.599 -3.809 -9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.964 -3.184 -9.664 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.350 -4.499 -11.722 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.994 -5.098 -11.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.676 -3.165 -13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.788 -2.804 -12.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.195 -2.224 -11.917 1.00 0.00 H new ATOM 870 N GLY A 52 -7.478 -6.878 -6.755 1.00 0.00 N ATOM 871 CA GLY A 52 -6.918 -8.203 -6.365 1.00 0.00 C ATOM 872 C GLY A 52 -5.405 -8.096 -6.150 1.00 0.00 C ATOM 873 O GLY A 52 -4.621 -8.593 -6.933 1.00 0.00 O ATOM 0 H GLY A 52 -6.831 -6.254 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.398 -8.554 -5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.131 -8.939 -7.141 1.00 0.00 H new ATOM 877 N SER A 53 -4.989 -7.461 -5.088 1.00 0.00 N ATOM 878 CA SER A 53 -3.528 -7.335 -4.816 1.00 0.00 C ATOM 879 C SER A 53 -3.123 -8.367 -3.769 1.00 0.00 C ATOM 880 O SER A 53 -3.953 -8.963 -3.111 1.00 0.00 O ATOM 881 CB SER A 53 -3.219 -5.932 -4.294 1.00 0.00 C ATOM 882 OG SER A 53 -4.183 -5.019 -4.802 1.00 0.00 O ATOM 0 H SER A 53 -5.598 -7.024 -4.396 1.00 0.00 H new ATOM 0 HA SER A 53 -2.971 -7.506 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.234 -5.926 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.218 -5.630 -4.601 1.00 0.00 H new ATOM 0 HG SER A 53 -4.148 -5.018 -5.781 1.00 0.00 H new ATOM 888 N THR A 54 -1.851 -8.588 -3.617 1.00 0.00 N ATOM 889 CA THR A 54 -1.385 -9.586 -2.622 1.00 0.00 C ATOM 890 C THR A 54 -0.394 -8.918 -1.665 1.00 0.00 C ATOM 891 O THR A 54 0.218 -7.924 -1.993 1.00 0.00 O ATOM 892 CB THR A 54 -0.722 -10.757 -3.373 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.098 -11.982 -2.762 1.00 0.00 O ATOM 894 CG2 THR A 54 0.803 -10.630 -3.355 1.00 0.00 C ATOM 0 H THR A 54 -1.112 -8.119 -4.141 1.00 0.00 H new ATOM 0 HA THR A 54 -2.222 -9.968 -2.038 1.00 0.00 H new ATOM 0 HB THR A 54 -1.058 -10.735 -4.410 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.679 -12.728 -3.239 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.244 -11.470 -3.892 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.096 -9.697 -3.836 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.156 -10.633 -2.324 1.00 0.00 H new ATOM 902 N LEU A 55 -0.224 -9.461 -0.494 1.00 0.00 N ATOM 903 CA LEU A 55 0.738 -8.863 0.472 1.00 0.00 C ATOM 904 C LEU A 55 1.696 -9.960 0.945 1.00 0.00 C ATOM 905 O LEU A 55 1.351 -10.789 1.764 1.00 0.00 O ATOM 906 CB LEU A 55 -0.030 -8.280 1.666 1.00 0.00 C ATOM 907 CG LEU A 55 0.940 -7.714 2.715 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.420 -8.841 3.629 1.00 0.00 C ATOM 909 CD2 LEU A 55 2.148 -7.069 2.029 1.00 0.00 C ATOM 0 H LEU A 55 -0.710 -10.294 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 55 1.304 -8.062 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.702 -7.493 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.650 -9.054 2.118 1.00 0.00 H new ATOM 0 HG LEU A 55 0.419 -6.958 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.108 -8.438 4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.564 -9.291 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.931 -9.599 3.035 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.826 -6.672 2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.668 -7.817 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.810 -6.258 1.384 1.00 0.00 H new ATOM 921 N THR A 56 2.889 -9.983 0.418 1.00 0.00 N ATOM 922 CA THR A 56 3.865 -11.039 0.815 1.00 0.00 C ATOM 923 C THR A 56 4.684 -10.569 2.018 1.00 0.00 C ATOM 924 O THR A 56 5.179 -9.461 2.052 1.00 0.00 O ATOM 925 CB THR A 56 4.804 -11.331 -0.359 1.00 0.00 C ATOM 926 OG1 THR A 56 4.082 -12.001 -1.383 1.00 0.00 O ATOM 927 CG2 THR A 56 5.959 -12.214 0.115 1.00 0.00 C ATOM 0 H THR A 56 3.232 -9.315 -0.272 1.00 0.00 H new ATOM 0 HA THR A 56 3.322 -11.945 1.085 1.00 0.00 H new ATOM 0 HB THR A 56 5.203 -10.394 -0.747 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.707 -12.329 -2.063 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.626 -12.421 -0.722 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.512 -11.699 0.901 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.564 -13.152 0.504 1.00 0.00 H new ATOM 935 N SER A 57 4.831 -11.410 3.005 1.00 0.00 N ATOM 936 CA SER A 57 5.617 -11.020 4.209 1.00 0.00 C ATOM 937 C SER A 57 6.335 -12.254 4.770 1.00 0.00 C ATOM 938 O SER A 57 5.706 -13.241 5.093 1.00 0.00 O ATOM 939 CB SER A 57 4.672 -10.456 5.269 1.00 0.00 C ATOM 940 OG SER A 57 4.617 -9.041 5.143 1.00 0.00 O ATOM 0 H SER A 57 4.440 -12.352 3.029 1.00 0.00 H new ATOM 0 HA SER A 57 6.353 -10.263 3.936 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.676 -10.882 5.149 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.019 -10.731 6.265 1.00 0.00 H new ATOM 0 HG SER A 57 4.768 -8.790 4.208 1.00 0.00 H new ATOM 946 N PRO A 58 7.638 -12.155 4.870 1.00 0.00 N ATOM 947 CA PRO A 58 8.365 -10.958 4.475 1.00 0.00 C ATOM 948 C PRO A 58 8.390 -10.827 2.947 1.00 0.00 C ATOM 949 O PRO A 58 7.601 -11.434 2.250 1.00 0.00 O ATOM 950 CB PRO A 58 9.761 -11.157 5.017 1.00 0.00 C ATOM 951 CG PRO A 58 9.901 -12.710 5.119 1.00 0.00 C ATOM 952 CD PRO A 58 8.467 -13.246 5.396 1.00 0.00 C ATOM 0 HA PRO A 58 7.903 -10.048 4.858 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.513 -10.730 4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.885 -10.679 5.989 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.304 -13.128 4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.585 -12.989 5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.276 -14.189 4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.292 -13.418 6.458 1.00 0.00 H new ATOM 960 N CYS A 59 9.286 -10.034 2.426 1.00 0.00 N ATOM 961 CA CYS A 59 9.358 -9.859 0.947 1.00 0.00 C ATOM 962 C CYS A 59 10.548 -10.648 0.391 1.00 0.00 C ATOM 963 O CYS A 59 10.900 -11.696 0.895 1.00 0.00 O ATOM 964 CB CYS A 59 9.528 -8.373 0.621 1.00 0.00 C ATOM 965 SG CYS A 59 11.168 -7.823 1.156 1.00 0.00 S ATOM 0 H CYS A 59 9.971 -9.500 2.960 1.00 0.00 H new ATOM 0 HA CYS A 59 8.439 -10.229 0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.409 -8.208 -0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.755 -7.789 1.121 1.00 0.00 H new ATOM 0 HG CYS A 59 11.364 -6.599 0.765 1.00 0.00 H new ATOM 971 N GLN A 60 11.165 -10.155 -0.650 1.00 0.00 N ATOM 972 CA GLN A 60 12.327 -10.876 -1.244 1.00 0.00 C ATOM 973 C GLN A 60 13.538 -10.769 -0.314 1.00 0.00 C ATOM 974 O GLN A 60 13.408 -10.820 0.893 1.00 0.00 O ATOM 975 CB GLN A 60 12.662 -10.257 -2.604 1.00 0.00 C ATOM 976 CG GLN A 60 13.238 -11.334 -3.528 1.00 0.00 C ATOM 977 CD GLN A 60 14.246 -10.699 -4.487 1.00 0.00 C ATOM 978 OE1 GLN A 60 14.080 -9.569 -4.902 1.00 0.00 O ATOM 979 NE2 GLN A 60 15.293 -11.383 -4.860 1.00 0.00 N ATOM 0 H GLN A 60 10.913 -9.283 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 60 12.074 -11.928 -1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.766 -9.823 -3.048 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.381 -9.447 -2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.722 -12.113 -2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.436 -11.812 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.433 -12.332 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.971 -10.969 -5.499 1.00 0.00 H new ATOM 988 N ASP A 61 14.716 -10.616 -0.862 1.00 0.00 N ATOM 989 CA ASP A 61 15.929 -10.499 -0.006 1.00 0.00 C ATOM 990 C ASP A 61 15.885 -9.179 0.764 1.00 0.00 C ATOM 991 O ASP A 61 16.745 -8.896 1.575 1.00 0.00 O ATOM 992 CB ASP A 61 17.181 -10.539 -0.885 1.00 0.00 C ATOM 993 CG ASP A 61 17.917 -11.861 -0.663 1.00 0.00 C ATOM 994 OD1 ASP A 61 18.099 -12.230 0.485 1.00 0.00 O ATOM 995 OD2 ASP A 61 18.285 -12.484 -1.646 1.00 0.00 O ATOM 0 H ASP A 61 14.888 -10.567 -1.866 1.00 0.00 H new ATOM 0 HA ASP A 61 15.957 -11.329 0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.905 -10.436 -1.934 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.835 -9.701 -0.643 1.00 0.00 H new ATOM 1000 N PHE A 62 14.888 -8.369 0.527 1.00 0.00 N ATOM 1001 CA PHE A 62 14.800 -7.078 1.261 1.00 0.00 C ATOM 1002 C PHE A 62 14.024 -7.309 2.558 1.00 0.00 C ATOM 1003 O PHE A 62 14.142 -6.561 3.508 1.00 0.00 O ATOM 1004 CB PHE A 62 14.077 -6.039 0.399 1.00 0.00 C ATOM 1005 CG PHE A 62 15.070 -5.375 -0.525 1.00 0.00 C ATOM 1006 CD1 PHE A 62 16.058 -4.532 0.000 1.00 0.00 C ATOM 1007 CD2 PHE A 62 15.006 -5.606 -1.906 1.00 0.00 C ATOM 1008 CE1 PHE A 62 16.982 -3.918 -0.856 1.00 0.00 C ATOM 1009 CE2 PHE A 62 15.930 -4.992 -2.762 1.00 0.00 C ATOM 1010 CZ PHE A 62 16.918 -4.148 -2.237 1.00 0.00 C ATOM 0 H PHE A 62 14.136 -8.546 -0.139 1.00 0.00 H new ATOM 0 HA PHE A 62 15.800 -6.708 1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.288 -6.517 -0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.599 -5.293 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 62 16.108 -4.355 1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 62 14.245 -6.257 -2.310 1.00 0.00 H new ATOM 0 HE1 PHE A 62 17.743 -3.268 -0.452 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.881 -5.169 -3.826 1.00 0.00 H new ATOM 0 HZ PHE A 62 17.630 -3.675 -2.897 1.00 0.00 H new ATOM 1020 N GLY A 63 13.247 -8.357 2.609 1.00 0.00 N ATOM 1021 CA GLY A 63 12.480 -8.658 3.850 1.00 0.00 C ATOM 1022 C GLY A 63 13.436 -9.259 4.879 1.00 0.00 C ATOM 1023 O GLY A 63 13.201 -9.208 6.069 1.00 0.00 O ATOM 0 H GLY A 63 13.111 -9.018 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 63 12.024 -7.749 4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.669 -9.354 3.634 1.00 0.00 H new ATOM 1027 N LYS A 64 14.523 -9.818 4.421 1.00 0.00 N ATOM 1028 CA LYS A 64 15.511 -10.414 5.359 1.00 0.00 C ATOM 1029 C LYS A 64 16.304 -9.291 6.034 1.00 0.00 C ATOM 1030 O LYS A 64 17.139 -9.529 6.882 1.00 0.00 O ATOM 1031 CB LYS A 64 16.468 -11.318 4.578 1.00 0.00 C ATOM 1032 CG LYS A 64 16.388 -12.744 5.122 1.00 0.00 C ATOM 1033 CD LYS A 64 15.982 -13.697 3.997 1.00 0.00 C ATOM 1034 CE LYS A 64 15.361 -14.962 4.594 1.00 0.00 C ATOM 1035 NZ LYS A 64 16.109 -16.157 4.113 1.00 0.00 N ATOM 0 H LYS A 64 14.768 -9.887 3.433 1.00 0.00 H new ATOM 0 HA LYS A 64 14.993 -11.002 6.117 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.211 -11.307 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.488 -10.943 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.352 -13.042 5.535 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.664 -12.794 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.269 -13.209 3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.853 -13.957 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.390 -14.915 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.312 -15.036 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.687 -17.017 4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.059 -16.203 3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.103 -16.086 4.409 1.00 0.00 H new ATOM 1049 N ARG A 65 16.046 -8.065 5.659 1.00 0.00 N ATOM 1050 CA ARG A 65 16.782 -6.926 6.274 1.00 0.00 C ATOM 1051 C ARG A 65 15.871 -6.205 7.268 1.00 0.00 C ATOM 1052 O ARG A 65 15.753 -6.595 8.412 1.00 0.00 O ATOM 1053 CB ARG A 65 17.225 -5.957 5.175 1.00 0.00 C ATOM 1054 CG ARG A 65 18.464 -6.516 4.471 1.00 0.00 C ATOM 1055 CD ARG A 65 19.349 -5.363 3.994 1.00 0.00 C ATOM 1056 NE ARG A 65 20.344 -5.873 3.011 1.00 0.00 N ATOM 1057 CZ ARG A 65 20.022 -5.985 1.752 1.00 0.00 C ATOM 1058 NH1 ARG A 65 20.144 -4.961 0.953 1.00 0.00 N ATOM 1059 NH2 ARG A 65 19.577 -7.122 1.290 1.00 0.00 N ATOM 0 H ARG A 65 15.357 -7.806 4.953 1.00 0.00 H new ATOM 0 HA ARG A 65 17.660 -7.299 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.419 -5.813 4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.447 -4.980 5.605 1.00 0.00 H new ATOM 0 HG2 ARG A 65 19.022 -7.158 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.165 -7.133 3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.737 -4.586 3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.861 -4.908 4.842 1.00 0.00 H new ATOM 0 HE ARG A 65 21.279 -6.135 3.323 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.491 -4.072 1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.892 -5.049 -0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.481 -7.923 1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.325 -7.209 0.305 1.00 0.00 H new ATOM 1073 N MET A 66 15.230 -5.158 6.841 1.00 0.00 N ATOM 1074 CA MET A 66 14.328 -4.407 7.759 1.00 0.00 C ATOM 1075 C MET A 66 12.891 -4.914 7.598 1.00 0.00 C ATOM 1076 O MET A 66 12.660 -6.077 7.330 1.00 0.00 O ATOM 1077 CB MET A 66 14.385 -2.915 7.421 1.00 0.00 C ATOM 1078 CG MET A 66 15.787 -2.554 6.925 1.00 0.00 C ATOM 1079 SD MET A 66 15.888 -0.768 6.649 1.00 0.00 S ATOM 1080 CE MET A 66 17.507 -0.752 5.839 1.00 0.00 C ATOM 0 H MET A 66 15.290 -4.786 5.893 1.00 0.00 H new ATOM 0 HA MET A 66 14.651 -4.560 8.789 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.645 -2.676 6.657 1.00 0.00 H new ATOM 0 HB3 MET A 66 14.136 -2.323 8.301 1.00 0.00 H new ATOM 0 HG2 MET A 66 16.534 -2.863 7.657 1.00 0.00 H new ATOM 0 HG3 MET A 66 16.006 -3.089 6.001 1.00 0.00 H new ATOM 0 HE1 MET A 66 17.773 0.272 5.577 1.00 0.00 H new ATOM 0 HE2 MET A 66 18.257 -1.159 6.517 1.00 0.00 H new ATOM 0 HE3 MET A 66 17.467 -1.359 4.935 1.00 0.00 H new ATOM 1090 N PHE A 67 11.925 -4.050 7.761 1.00 0.00 N ATOM 1091 CA PHE A 67 10.505 -4.479 7.621 1.00 0.00 C ATOM 1092 C PHE A 67 9.976 -4.042 6.254 1.00 0.00 C ATOM 1093 O PHE A 67 9.498 -2.937 6.083 1.00 0.00 O ATOM 1094 CB PHE A 67 9.670 -3.832 8.727 1.00 0.00 C ATOM 1095 CG PHE A 67 10.012 -4.473 10.051 1.00 0.00 C ATOM 1096 CD1 PHE A 67 9.813 -5.848 10.233 1.00 0.00 C ATOM 1097 CD2 PHE A 67 10.529 -3.695 11.095 1.00 0.00 C ATOM 1098 CE1 PHE A 67 10.132 -6.445 11.460 1.00 0.00 C ATOM 1099 CE2 PHE A 67 10.848 -4.292 12.322 1.00 0.00 C ATOM 1100 CZ PHE A 67 10.649 -5.667 12.505 1.00 0.00 C ATOM 0 H PHE A 67 12.059 -3.064 7.985 1.00 0.00 H new ATOM 0 HA PHE A 67 10.438 -5.564 7.704 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.867 -2.761 8.767 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.608 -3.954 8.515 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.414 -6.447 9.428 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.682 -2.635 10.954 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.979 -7.505 11.600 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.247 -3.692 13.127 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.894 -6.127 13.451 1.00 0.00 H new ATOM 1110 N VAL A 68 10.070 -4.899 5.276 1.00 0.00 N ATOM 1111 CA VAL A 68 9.585 -4.539 3.913 1.00 0.00 C ATOM 1112 C VAL A 68 8.789 -5.708 3.329 1.00 0.00 C ATOM 1113 O VAL A 68 9.217 -6.844 3.375 1.00 0.00 O ATOM 1114 CB VAL A 68 10.795 -4.250 3.021 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.766 -5.426 3.094 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.341 -4.057 1.573 1.00 0.00 C ATOM 0 H VAL A 68 10.463 -5.836 5.362 1.00 0.00 H new ATOM 0 HA VAL A 68 8.944 -3.659 3.967 1.00 0.00 H new ATOM 0 HB VAL A 68 11.288 -3.341 3.366 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.630 -5.225 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.096 -5.562 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.267 -6.332 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.207 -3.852 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.845 -4.963 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.646 -3.219 1.518 1.00 0.00 H new ATOM 1126 N PHE A 69 7.634 -5.446 2.773 1.00 0.00 N ATOM 1127 CA PHE A 69 6.833 -6.557 2.187 1.00 0.00 C ATOM 1128 C PHE A 69 6.815 -6.432 0.663 1.00 0.00 C ATOM 1129 O PHE A 69 7.237 -5.439 0.102 1.00 0.00 O ATOM 1130 CB PHE A 69 5.394 -6.524 2.730 1.00 0.00 C ATOM 1131 CG PHE A 69 4.627 -5.337 2.178 1.00 0.00 C ATOM 1132 CD1 PHE A 69 4.306 -5.264 0.811 1.00 0.00 C ATOM 1133 CD2 PHE A 69 4.217 -4.313 3.042 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.588 -4.169 0.315 1.00 0.00 C ATOM 1135 CE2 PHE A 69 3.495 -3.220 2.544 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.183 -3.147 1.180 1.00 0.00 C ATOM 0 H PHE A 69 7.215 -4.519 2.701 1.00 0.00 H new ATOM 0 HA PHE A 69 7.291 -7.506 2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.881 -7.448 2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.414 -6.473 3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.614 -6.054 0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.458 -4.366 4.093 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.347 -4.113 -0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.179 -2.433 3.212 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.630 -2.302 0.797 1.00 0.00 H new ATOM 1146 N LYS A 70 6.317 -7.434 -0.004 1.00 0.00 N ATOM 1147 CA LYS A 70 6.249 -7.392 -1.491 1.00 0.00 C ATOM 1148 C LYS A 70 4.801 -7.639 -1.923 1.00 0.00 C ATOM 1149 O LYS A 70 4.307 -8.745 -1.856 1.00 0.00 O ATOM 1150 CB LYS A 70 7.160 -8.483 -2.067 1.00 0.00 C ATOM 1151 CG LYS A 70 6.788 -8.755 -3.527 1.00 0.00 C ATOM 1152 CD LYS A 70 6.187 -10.156 -3.647 1.00 0.00 C ATOM 1153 CE LYS A 70 7.305 -11.198 -3.580 1.00 0.00 C ATOM 1154 NZ LYS A 70 8.231 -11.009 -4.732 1.00 0.00 N ATOM 0 H LYS A 70 5.951 -8.287 0.420 1.00 0.00 H new ATOM 0 HA LYS A 70 6.579 -6.420 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.202 -8.171 -2.000 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.062 -9.397 -1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.073 -8.010 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.671 -8.671 -4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.469 -10.325 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.643 -10.251 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.851 -11.101 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.882 -12.202 -3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.660 -11.922 -4.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.701 -10.637 -5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.979 -10.336 -4.469 1.00 0.00 H new ATOM 1168 N ILE A 71 4.116 -6.618 -2.362 1.00 0.00 N ATOM 1169 CA ILE A 71 2.698 -6.803 -2.785 1.00 0.00 C ATOM 1170 C ILE A 71 2.653 -7.187 -4.263 1.00 0.00 C ATOM 1171 O ILE A 71 3.588 -6.971 -5.006 1.00 0.00 O ATOM 1172 CB ILE A 71 1.922 -5.492 -2.552 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.380 -5.465 -1.121 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.746 -5.376 -3.534 1.00 0.00 C ATOM 1175 CD1 ILE A 71 1.004 -4.032 -0.744 1.00 0.00 C ATOM 0 H ILE A 71 4.475 -5.667 -2.446 1.00 0.00 H new ATOM 0 HA ILE A 71 2.238 -7.599 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 71 2.602 -4.655 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.508 -6.114 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.130 -5.849 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.211 -4.444 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.124 -5.385 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.068 -6.217 -3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.618 -4.013 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.886 -3.395 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.239 -3.664 -1.428 1.00 0.00 H new ATOM 1187 N THR A 72 1.560 -7.751 -4.685 1.00 0.00 N ATOM 1188 CA THR A 72 1.426 -8.152 -6.111 1.00 0.00 C ATOM 1189 C THR A 72 0.067 -7.685 -6.625 1.00 0.00 C ATOM 1190 O THR A 72 -0.919 -8.388 -6.525 1.00 0.00 O ATOM 1191 CB THR A 72 1.517 -9.674 -6.234 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.801 -10.107 -5.805 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.295 -10.084 -7.690 1.00 0.00 C ATOM 0 H THR A 72 0.749 -7.953 -4.101 1.00 0.00 H new ATOM 0 HA THR A 72 2.226 -7.699 -6.696 1.00 0.00 H new ATOM 0 HB THR A 72 0.752 -10.136 -5.610 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.860 -11.082 -5.882 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.360 -11.169 -7.777 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.309 -9.753 -8.015 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.058 -9.624 -8.318 1.00 0.00 H new ATOM 1201 N THR A 73 0.005 -6.502 -7.166 1.00 0.00 N ATOM 1202 CA THR A 73 -1.297 -5.994 -7.676 1.00 0.00 C ATOM 1203 C THR A 73 -1.984 -7.099 -8.480 1.00 0.00 C ATOM 1204 O THR A 73 -1.350 -8.026 -8.942 1.00 0.00 O ATOM 1205 CB THR A 73 -1.070 -4.771 -8.571 1.00 0.00 C ATOM 1206 OG1 THR A 73 -0.721 -5.200 -9.879 1.00 0.00 O ATOM 1207 CG2 THR A 73 0.054 -3.907 -7.999 1.00 0.00 C ATOM 0 H THR A 73 0.796 -5.867 -7.277 1.00 0.00 H new ATOM 0 HA THR A 73 -1.926 -5.703 -6.835 1.00 0.00 H new ATOM 0 HB THR A 73 -1.986 -4.182 -8.612 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.640 -4.421 -10.468 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.209 -3.040 -8.641 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.217 -3.573 -6.998 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.973 -4.491 -7.950 1.00 0.00 H new ATOM 1215 N THR A 74 -3.273 -7.012 -8.645 1.00 0.00 N ATOM 1216 CA THR A 74 -3.998 -8.064 -9.415 1.00 0.00 C ATOM 1217 C THR A 74 -3.446 -8.130 -10.842 1.00 0.00 C ATOM 1218 O THR A 74 -3.700 -9.068 -11.571 1.00 0.00 O ATOM 1219 CB THR A 74 -5.491 -7.730 -9.461 1.00 0.00 C ATOM 1220 OG1 THR A 74 -6.082 -8.365 -10.586 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.676 -6.216 -9.571 1.00 0.00 C ATOM 0 H THR A 74 -3.857 -6.259 -8.281 1.00 0.00 H new ATOM 0 HA THR A 74 -3.857 -9.028 -8.927 1.00 0.00 H new ATOM 0 HB THR A 74 -5.971 -8.085 -8.549 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.455 -9.019 -10.960 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.740 -5.981 -9.604 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.223 -5.730 -8.706 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.197 -5.856 -10.481 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.694 -7.143 -11.247 1.00 0.00 N ATOM 1230 CA LYS A 75 -2.130 -7.152 -12.628 1.00 0.00 C ATOM 1231 C LYS A 75 -0.803 -7.916 -12.636 1.00 0.00 C ATOM 1232 O LYS A 75 -0.018 -7.806 -13.556 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.890 -5.714 -13.088 1.00 0.00 C ATOM 1234 CG LYS A 75 -3.124 -5.207 -13.837 1.00 0.00 C ATOM 1235 CD LYS A 75 -3.552 -3.857 -13.260 1.00 0.00 C ATOM 1236 CE LYS A 75 -2.916 -2.729 -14.074 1.00 0.00 C ATOM 1237 NZ LYS A 75 -3.173 -1.424 -13.402 1.00 0.00 N ATOM 0 H LYS A 75 -2.446 -6.331 -10.682 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.833 -7.640 -13.303 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.685 -5.075 -12.229 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.014 -5.669 -13.735 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.902 -5.106 -14.899 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.938 -5.927 -13.748 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.638 -3.768 -13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.247 -3.783 -12.216 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.843 -2.896 -14.170 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.328 -2.718 -15.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.740 -0.657 -13.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.198 -1.265 -13.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.760 -1.438 -12.448 1.00 0.00 H new ATOM 1251 N GLN A 76 -0.545 -8.692 -11.618 1.00 0.00 N ATOM 1252 CA GLN A 76 0.731 -9.459 -11.572 1.00 0.00 C ATOM 1253 C GLN A 76 1.906 -8.484 -11.490 1.00 0.00 C ATOM 1254 O GLN A 76 2.909 -8.645 -12.157 1.00 0.00 O ATOM 1255 CB GLN A 76 0.863 -10.312 -12.835 1.00 0.00 C ATOM 1256 CG GLN A 76 1.175 -11.757 -12.443 1.00 0.00 C ATOM 1257 CD GLN A 76 2.583 -12.124 -12.916 1.00 0.00 C ATOM 1258 OE1 GLN A 76 2.906 -11.969 -14.077 1.00 0.00 O ATOM 1259 NE2 GLN A 76 3.441 -12.607 -12.060 1.00 0.00 N ATOM 0 H GLN A 76 -1.162 -8.827 -10.817 1.00 0.00 H new ATOM 0 HA GLN A 76 0.733 -10.108 -10.696 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.061 -10.272 -13.412 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.655 -9.918 -13.472 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.101 -11.875 -11.362 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.443 -12.431 -12.888 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.171 -12.737 -11.085 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.382 -12.854 -12.366 1.00 0.00 H new ATOM 1268 N GLN A 77 1.789 -7.472 -10.675 1.00 0.00 N ATOM 1269 CA GLN A 77 2.896 -6.486 -10.547 1.00 0.00 C ATOM 1270 C GLN A 77 3.412 -6.492 -9.108 1.00 0.00 C ATOM 1271 O GLN A 77 2.690 -6.191 -8.178 1.00 0.00 O ATOM 1272 CB GLN A 77 2.378 -5.089 -10.900 1.00 0.00 C ATOM 1273 CG GLN A 77 3.403 -4.040 -10.470 1.00 0.00 C ATOM 1274 CD GLN A 77 3.301 -2.817 -11.385 1.00 0.00 C ATOM 1275 OE1 GLN A 77 2.839 -2.918 -12.503 1.00 0.00 O ATOM 1276 NE2 GLN A 77 3.715 -1.658 -10.952 1.00 0.00 N ATOM 0 H GLN A 77 0.973 -7.286 -10.092 1.00 0.00 H new ATOM 0 HA GLN A 77 3.706 -6.753 -11.226 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.197 -5.017 -11.972 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.425 -4.907 -10.403 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.227 -3.748 -9.435 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.408 -4.459 -10.517 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.103 -1.574 -10.013 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.651 -0.836 -11.553 1.00 0.00 H new ATOM 1285 N ASP A 78 4.656 -6.834 -8.914 1.00 0.00 N ATOM 1286 CA ASP A 78 5.212 -6.856 -7.533 1.00 0.00 C ATOM 1287 C ASP A 78 5.354 -5.421 -7.025 1.00 0.00 C ATOM 1288 O ASP A 78 5.321 -4.477 -7.790 1.00 0.00 O ATOM 1289 CB ASP A 78 6.583 -7.535 -7.544 1.00 0.00 C ATOM 1290 CG ASP A 78 6.461 -8.925 -8.173 1.00 0.00 C ATOM 1291 OD1 ASP A 78 5.363 -9.279 -8.571 1.00 0.00 O ATOM 1292 OD2 ASP A 78 7.467 -9.612 -8.245 1.00 0.00 O ATOM 0 H ASP A 78 5.310 -7.099 -9.651 1.00 0.00 H new ATOM 0 HA ASP A 78 4.542 -7.411 -6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.295 -6.931 -8.107 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.968 -7.617 -6.528 1.00 0.00 H new ATOM 1297 N HIS A 79 5.504 -5.247 -5.742 1.00 0.00 N ATOM 1298 CA HIS A 79 5.639 -3.867 -5.194 1.00 0.00 C ATOM 1299 C HIS A 79 6.620 -3.863 -4.019 1.00 0.00 C ATOM 1300 O HIS A 79 6.496 -4.634 -3.088 1.00 0.00 O ATOM 1301 CB HIS A 79 4.270 -3.380 -4.714 1.00 0.00 C ATOM 1302 CG HIS A 79 3.520 -2.774 -5.868 1.00 0.00 C ATOM 1303 ND1 HIS A 79 3.405 -1.402 -6.038 1.00 0.00 N ATOM 1304 CD2 HIS A 79 2.845 -3.339 -6.921 1.00 0.00 C ATOM 1305 CE1 HIS A 79 2.685 -1.192 -7.156 1.00 0.00 C ATOM 1306 NE2 HIS A 79 2.319 -2.339 -7.732 1.00 0.00 N ATOM 0 H HIS A 79 5.539 -5.996 -5.051 1.00 0.00 H new ATOM 0 HA HIS A 79 6.015 -3.206 -5.974 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.703 -4.211 -4.294 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.392 -2.644 -3.919 1.00 0.00 H new ATOM 0 HD1 HIS A 79 3.795 -0.684 -5.428 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.738 -4.400 -7.094 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.434 -0.214 -7.540 1.00 0.00 H new ATOM 1314 N PHE A 80 7.588 -2.988 -4.052 1.00 0.00 N ATOM 1315 CA PHE A 80 8.572 -2.915 -2.934 1.00 0.00 C ATOM 1316 C PHE A 80 8.065 -1.900 -1.908 1.00 0.00 C ATOM 1317 O PHE A 80 7.958 -0.722 -2.188 1.00 0.00 O ATOM 1318 CB PHE A 80 9.922 -2.468 -3.483 1.00 0.00 C ATOM 1319 CG PHE A 80 10.663 -3.661 -4.037 1.00 0.00 C ATOM 1320 CD1 PHE A 80 10.905 -4.777 -3.225 1.00 0.00 C ATOM 1321 CD2 PHE A 80 11.107 -3.652 -5.366 1.00 0.00 C ATOM 1322 CE1 PHE A 80 11.592 -5.883 -3.741 1.00 0.00 C ATOM 1323 CE2 PHE A 80 11.794 -4.758 -5.882 1.00 0.00 C ATOM 1324 CZ PHE A 80 12.037 -5.874 -5.070 1.00 0.00 C ATOM 0 H PHE A 80 7.740 -2.319 -4.807 1.00 0.00 H new ATOM 0 HA PHE A 80 8.686 -3.891 -2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.779 -1.721 -4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.509 -1.997 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.562 -4.784 -2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.919 -2.792 -5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 80 11.779 -6.743 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 80 12.137 -4.751 -6.906 1.00 0.00 H new ATOM 0 HZ PHE A 80 12.567 -6.727 -5.468 1.00 0.00 H new ATOM 1334 N PHE A 81 7.716 -2.355 -0.734 1.00 0.00 N ATOM 1335 CA PHE A 81 7.162 -1.429 0.298 1.00 0.00 C ATOM 1336 C PHE A 81 7.921 -1.577 1.622 1.00 0.00 C ATOM 1337 O PHE A 81 8.079 -2.664 2.142 1.00 0.00 O ATOM 1338 CB PHE A 81 5.689 -1.810 0.473 1.00 0.00 C ATOM 1339 CG PHE A 81 5.024 -1.068 1.603 1.00 0.00 C ATOM 1340 CD1 PHE A 81 5.425 -1.272 2.933 1.00 0.00 C ATOM 1341 CD2 PHE A 81 3.950 -0.218 1.316 1.00 0.00 C ATOM 1342 CE1 PHE A 81 4.744 -0.623 3.970 1.00 0.00 C ATOM 1343 CE2 PHE A 81 3.280 0.437 2.350 1.00 0.00 C ATOM 1344 CZ PHE A 81 3.672 0.231 3.676 1.00 0.00 C ATOM 0 H PHE A 81 7.791 -3.330 -0.444 1.00 0.00 H new ATOM 0 HA PHE A 81 7.265 -0.389 -0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.153 -1.606 -0.454 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.615 -2.882 0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.255 -1.926 3.155 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.639 -0.069 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.044 -0.780 4.995 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.459 1.102 2.126 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.147 0.731 4.476 1.00 0.00 H new ATOM 1354 N GLN A 82 8.387 -0.484 2.172 1.00 0.00 N ATOM 1355 CA GLN A 82 9.132 -0.548 3.465 1.00 0.00 C ATOM 1356 C GLN A 82 8.504 0.422 4.473 1.00 0.00 C ATOM 1357 O GLN A 82 8.185 1.550 4.147 1.00 0.00 O ATOM 1358 CB GLN A 82 10.593 -0.154 3.232 1.00 0.00 C ATOM 1359 CG GLN A 82 11.512 -1.125 3.973 1.00 0.00 C ATOM 1360 CD GLN A 82 12.425 -0.343 4.919 1.00 0.00 C ATOM 1361 OE1 GLN A 82 12.981 0.671 4.546 1.00 0.00 O ATOM 1362 NE2 GLN A 82 12.605 -0.775 6.137 1.00 0.00 N ATOM 0 H GLN A 82 8.283 0.452 1.780 1.00 0.00 H new ATOM 0 HA GLN A 82 9.082 -1.564 3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 82 10.818 -0.167 2.166 1.00 0.00 H new ATOM 0 HB3 GLN A 82 10.766 0.864 3.582 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.919 -1.846 4.536 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.110 -1.692 3.260 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.138 -1.626 6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.212 -0.262 6.776 1.00 0.00 H new ATOM 1371 N ALA A 83 8.330 -0.009 5.696 1.00 0.00 N ATOM 1372 CA ALA A 83 7.727 0.879 6.732 1.00 0.00 C ATOM 1373 C ALA A 83 8.805 1.326 7.723 1.00 0.00 C ATOM 1374 O ALA A 83 9.965 1.443 7.384 1.00 0.00 O ATOM 1375 CB ALA A 83 6.630 0.117 7.480 1.00 0.00 C ATOM 0 H ALA A 83 8.581 -0.942 6.022 1.00 0.00 H new ATOM 0 HA ALA A 83 7.298 1.757 6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.189 0.765 8.237 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.859 -0.195 6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.060 -0.762 7.960 1.00 0.00 H new ATOM 1381 N ALA A 84 8.425 1.584 8.944 1.00 0.00 N ATOM 1382 CA ALA A 84 9.423 2.030 9.958 1.00 0.00 C ATOM 1383 C ALA A 84 9.821 0.854 10.844 1.00 0.00 C ATOM 1384 O ALA A 84 10.778 0.153 10.581 1.00 0.00 O ATOM 1385 CB ALA A 84 8.811 3.134 10.823 1.00 0.00 C ATOM 0 H ALA A 84 7.467 1.505 9.284 1.00 0.00 H new ATOM 0 HA ALA A 84 10.308 2.412 9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.540 3.461 11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.532 3.978 10.192 1.00 0.00 H new ATOM 0 HB3 ALA A 84 7.925 2.751 11.329 1.00 0.00 H new ATOM 1391 N PHE A 85 9.091 0.641 11.895 1.00 0.00 N ATOM 1392 CA PHE A 85 9.411 -0.484 12.819 1.00 0.00 C ATOM 1393 C PHE A 85 8.383 -1.597 12.644 1.00 0.00 C ATOM 1394 O PHE A 85 7.487 -1.506 11.832 1.00 0.00 O ATOM 1395 CB PHE A 85 9.390 0.003 14.276 1.00 0.00 C ATOM 1396 CG PHE A 85 8.548 1.252 14.399 1.00 0.00 C ATOM 1397 CD1 PHE A 85 9.113 2.506 14.126 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.206 1.158 14.789 1.00 0.00 C ATOM 1399 CE1 PHE A 85 8.335 3.664 14.243 1.00 0.00 C ATOM 1400 CE2 PHE A 85 6.428 2.318 14.905 1.00 0.00 C ATOM 1401 CZ PHE A 85 6.992 3.572 14.633 1.00 0.00 C ATOM 0 H PHE A 85 8.279 1.199 12.160 1.00 0.00 H new ATOM 0 HA PHE A 85 10.406 -0.861 12.583 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.990 -0.778 14.922 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.406 0.207 14.613 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.148 2.578 13.826 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.771 0.192 15.000 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.770 4.630 14.032 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.393 2.246 15.204 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.393 4.466 14.724 1.00 0.00 H new ATOM 1411 N LEU A 86 8.517 -2.649 13.395 1.00 0.00 N ATOM 1412 CA LEU A 86 7.556 -3.784 13.280 1.00 0.00 C ATOM 1413 C LEU A 86 6.126 -3.276 13.497 1.00 0.00 C ATOM 1414 O LEU A 86 5.266 -3.440 12.656 1.00 0.00 O ATOM 1415 CB LEU A 86 7.899 -4.842 14.340 1.00 0.00 C ATOM 1416 CG LEU A 86 6.678 -5.727 14.615 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.137 -7.116 15.050 1.00 0.00 C ATOM 1418 CD2 LEU A 86 5.838 -5.102 15.732 1.00 0.00 C ATOM 0 H LEU A 86 9.254 -2.776 14.089 1.00 0.00 H new ATOM 0 HA LEU A 86 7.627 -4.226 12.286 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.732 -5.455 13.997 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.220 -4.355 15.261 1.00 0.00 H new ATOM 0 HG LEU A 86 6.081 -5.809 13.707 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.267 -7.742 15.245 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.738 -7.565 14.259 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.735 -7.034 15.958 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.969 -5.730 15.929 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.439 -5.020 16.637 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.506 -4.110 15.426 1.00 0.00 H new ATOM 1430 N GLU A 87 5.862 -2.681 14.627 1.00 0.00 N ATOM 1431 CA GLU A 87 4.484 -2.188 14.904 1.00 0.00 C ATOM 1432 C GLU A 87 3.918 -1.493 13.663 1.00 0.00 C ATOM 1433 O GLU A 87 3.019 -1.993 13.016 1.00 0.00 O ATOM 1434 CB GLU A 87 4.518 -1.199 16.071 1.00 0.00 C ATOM 1435 CG GLU A 87 3.114 -0.637 16.304 1.00 0.00 C ATOM 1436 CD GLU A 87 2.117 -1.792 16.431 1.00 0.00 C ATOM 1437 OE1 GLU A 87 1.776 -2.368 15.411 1.00 0.00 O ATOM 1438 OE2 GLU A 87 1.711 -2.079 17.545 1.00 0.00 O ATOM 0 H GLU A 87 6.541 -2.515 15.370 1.00 0.00 H new ATOM 0 HA GLU A 87 3.848 -3.035 15.162 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.877 -1.696 16.972 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.214 -0.389 15.855 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.100 -0.029 17.208 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.829 0.014 15.477 1.00 0.00 H new ATOM 1445 N GLU A 88 4.430 -0.340 13.329 1.00 0.00 N ATOM 1446 CA GLU A 88 3.915 0.390 12.135 1.00 0.00 C ATOM 1447 C GLU A 88 3.848 -0.559 10.936 1.00 0.00 C ATOM 1448 O GLU A 88 2.978 -0.449 10.095 1.00 0.00 O ATOM 1449 CB GLU A 88 4.849 1.557 11.809 1.00 0.00 C ATOM 1450 CG GLU A 88 4.065 2.653 11.085 1.00 0.00 C ATOM 1451 CD GLU A 88 4.387 4.011 11.710 1.00 0.00 C ATOM 1452 OE1 GLU A 88 4.003 4.225 12.849 1.00 0.00 O ATOM 1453 OE2 GLU A 88 5.013 4.817 11.040 1.00 0.00 O ATOM 0 H GLU A 88 5.184 0.129 13.832 1.00 0.00 H new ATOM 0 HA GLU A 88 2.916 0.770 12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.286 1.953 12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.674 1.213 11.185 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.322 2.659 10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.995 2.454 11.153 1.00 0.00 H new ATOM 1460 N ARG A 89 4.759 -1.488 10.849 1.00 0.00 N ATOM 1461 CA ARG A 89 4.746 -2.441 9.701 1.00 0.00 C ATOM 1462 C ARG A 89 3.392 -3.149 9.644 1.00 0.00 C ATOM 1463 O ARG A 89 2.635 -2.986 8.708 1.00 0.00 O ATOM 1464 CB ARG A 89 5.856 -3.479 9.879 1.00 0.00 C ATOM 1465 CG ARG A 89 5.991 -4.307 8.600 1.00 0.00 C ATOM 1466 CD ARG A 89 6.240 -5.772 8.963 1.00 0.00 C ATOM 1467 NE ARG A 89 5.169 -6.245 9.886 1.00 0.00 N ATOM 1468 CZ ARG A 89 5.381 -7.279 10.655 1.00 0.00 C ATOM 1469 NH1 ARG A 89 6.434 -7.316 11.423 1.00 0.00 N ATOM 1470 NH2 ARG A 89 4.537 -8.276 10.655 1.00 0.00 N ATOM 0 H ARG A 89 5.512 -1.630 11.522 1.00 0.00 H new ATOM 0 HA ARG A 89 4.911 -1.892 8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 89 6.800 -2.983 10.105 1.00 0.00 H new ATOM 0 HB3 ARG A 89 5.628 -4.129 10.723 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.085 -4.219 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 89 6.813 -3.927 7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.254 -6.384 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.216 -5.880 9.436 1.00 0.00 H new ATOM 0 HE ARG A 89 4.271 -5.761 9.917 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.093 -6.537 11.423 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.599 -8.124 12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.713 -8.247 10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.702 -9.084 11.255 1.00 0.00 H new ATOM 1484 N ASP A 90 3.078 -3.935 10.638 1.00 0.00 N ATOM 1485 CA ASP A 90 1.770 -4.648 10.639 1.00 0.00 C ATOM 1486 C ASP A 90 0.643 -3.634 10.448 1.00 0.00 C ATOM 1487 O ASP A 90 -0.440 -3.971 10.019 1.00 0.00 O ATOM 1488 CB ASP A 90 1.583 -5.375 11.972 1.00 0.00 C ATOM 1489 CG ASP A 90 1.218 -6.838 11.711 1.00 0.00 C ATOM 1490 OD1 ASP A 90 1.636 -7.358 10.689 1.00 0.00 O ATOM 1491 OD2 ASP A 90 0.526 -7.411 12.535 1.00 0.00 O ATOM 0 H ASP A 90 3.671 -4.114 11.449 1.00 0.00 H new ATOM 0 HA ASP A 90 1.750 -5.375 9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.498 -5.317 12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.798 -4.892 12.554 1.00 0.00 H new ATOM 1496 N ALA A 91 0.891 -2.391 10.758 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.167 -1.355 10.588 1.00 0.00 C ATOM 1498 C ALA A 91 -0.389 -1.105 9.096 1.00 0.00 C ATOM 1499 O ALA A 91 -1.504 -0.959 8.638 1.00 0.00 O ATOM 1500 CB ALA A 91 0.276 -0.054 11.260 1.00 0.00 C ATOM 0 H ALA A 91 1.780 -2.048 11.122 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.094 -1.701 11.046 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.499 0.702 11.135 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.441 -0.231 12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.201 0.295 10.802 1.00 0.00 H new ATOM 1506 N TRP A 92 0.670 -1.059 8.338 1.00 0.00 N ATOM 1507 CA TRP A 92 0.546 -0.824 6.883 1.00 0.00 C ATOM 1508 C TRP A 92 -0.009 -2.082 6.204 1.00 0.00 C ATOM 1509 O TRP A 92 -0.971 -2.031 5.465 1.00 0.00 O ATOM 1510 CB TRP A 92 1.938 -0.535 6.332 1.00 0.00 C ATOM 1511 CG TRP A 92 2.334 0.881 6.616 1.00 0.00 C ATOM 1512 CD1 TRP A 92 3.226 1.263 7.559 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.891 2.103 5.955 1.00 0.00 C ATOM 1514 NE1 TRP A 92 3.360 2.640 7.518 1.00 0.00 N ATOM 1515 CE2 TRP A 92 2.554 3.204 6.548 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.985 2.359 4.909 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 2.326 4.514 6.116 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.755 3.674 4.472 1.00 0.00 C ATOM 1519 CH2 TRP A 92 1.423 4.748 5.073 1.00 0.00 C ATOM 0 H TRP A 92 1.626 -1.176 8.674 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.126 0.012 6.693 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.661 -1.217 6.779 1.00 0.00 H new ATOM 0 HB3 TRP A 92 1.954 -0.714 5.257 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.748 0.601 8.234 1.00 0.00 H new ATOM 0 HE1 TRP A 92 3.978 3.173 8.129 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.463 1.539 4.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 2.843 5.339 6.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.059 3.858 3.667 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.241 5.756 4.732 1.00 0.00 H new ATOM 1530 N VAL A 93 0.611 -3.208 6.442 1.00 0.00 N ATOM 1531 CA VAL A 93 0.148 -4.482 5.804 1.00 0.00 C ATOM 1532 C VAL A 93 -1.245 -4.870 6.312 1.00 0.00 C ATOM 1533 O VAL A 93 -1.976 -5.577 5.647 1.00 0.00 O ATOM 1534 CB VAL A 93 1.132 -5.615 6.127 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.243 -5.641 5.078 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.746 -5.400 7.510 1.00 0.00 C ATOM 0 H VAL A 93 1.422 -3.303 7.053 1.00 0.00 H new ATOM 0 HA VAL A 93 0.102 -4.325 4.726 1.00 0.00 H new ATOM 0 HB VAL A 93 0.595 -6.564 6.118 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.942 -6.446 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.809 -5.808 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.772 -4.688 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.442 -6.210 7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.278 -4.449 7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.956 -5.388 8.261 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.620 -4.431 7.481 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.966 -4.803 8.010 1.00 0.00 C ATOM 1548 C ARG A 94 -4.024 -3.835 7.480 1.00 0.00 C ATOM 1549 O ARG A 94 -5.194 -4.157 7.419 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.952 -4.753 9.540 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.923 -3.295 10.006 1.00 0.00 C ATOM 1552 CD ARG A 94 -2.745 -3.249 11.525 1.00 0.00 C ATOM 1553 NE ARG A 94 -3.246 -1.945 12.044 1.00 0.00 N ATOM 1554 CZ ARG A 94 -4.384 -1.467 11.622 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -5.394 -2.269 11.420 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -4.513 -0.188 11.400 1.00 0.00 N ATOM 0 H ARG A 94 -1.059 -3.835 8.090 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.207 -5.814 7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.834 -5.255 9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.081 -5.285 9.923 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -2.108 -2.762 9.517 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -3.848 -2.793 9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.289 -4.071 11.991 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.694 -3.376 11.783 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.698 -1.426 12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.293 -3.269 11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.284 -1.895 11.090 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.724 0.439 11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.403 0.185 11.070 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.631 -2.650 7.101 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.628 -1.675 6.584 1.00 0.00 C ATOM 1572 C ASP A 95 -4.847 -1.906 5.086 1.00 0.00 C ATOM 1573 O ASP A 95 -5.953 -1.816 4.592 1.00 0.00 O ATOM 1574 CB ASP A 95 -4.116 -0.255 6.819 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.957 0.413 7.908 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -6.169 0.291 7.848 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.376 1.032 8.784 1.00 0.00 O ATOM 0 H ASP A 95 -2.667 -2.317 7.127 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.575 -1.810 7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.068 -0.279 7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.172 0.321 5.896 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.806 -2.210 4.359 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.970 -2.451 2.898 1.00 0.00 C ATOM 1584 C ILE A 96 -4.576 -3.843 2.684 1.00 0.00 C ATOM 1585 O ILE A 96 -5.368 -4.054 1.788 1.00 0.00 O ATOM 1586 CB ILE A 96 -2.606 -2.363 2.202 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -2.199 -0.890 2.080 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -2.701 -2.983 0.805 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.860 -0.778 1.342 1.00 0.00 C ATOM 0 H ILE A 96 -2.853 -2.301 4.712 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.632 -1.696 2.474 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.862 -2.904 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.968 -0.335 1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.117 -0.443 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.731 -2.920 0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.997 -4.029 0.890 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.443 -2.443 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.577 0.271 1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.093 -1.318 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.957 -1.208 0.345 1.00 0.00 H new ATOM 1601 N ASN A 97 -4.213 -4.792 3.505 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.774 -6.165 3.351 1.00 0.00 C ATOM 1603 C ASN A 97 -6.205 -6.185 3.892 1.00 0.00 C ATOM 1604 O ASN A 97 -7.050 -6.913 3.411 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.915 -7.161 4.133 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.371 -8.587 3.815 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.599 -9.377 4.709 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -4.515 -8.951 2.570 1.00 0.00 N ATOM 0 H ASN A 97 -3.553 -4.676 4.274 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.776 -6.444 2.297 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.865 -7.036 3.870 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.001 -6.970 5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.819 -9.899 2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.324 -8.288 1.819 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.483 -5.386 4.885 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.861 -5.354 5.450 1.00 0.00 C ATOM 1617 C LYS A 98 -8.791 -4.660 4.454 1.00 0.00 C ATOM 1618 O LYS A 98 -9.789 -5.212 4.031 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.851 -4.578 6.770 1.00 0.00 C ATOM 1620 CG LYS A 98 -9.237 -4.642 7.415 1.00 0.00 C ATOM 1621 CD LYS A 98 -10.002 -3.354 7.106 1.00 0.00 C ATOM 1622 CE LYS A 98 -10.747 -2.886 8.358 1.00 0.00 C ATOM 1623 NZ LYS A 98 -11.637 -3.979 8.844 1.00 0.00 N ATOM 0 H LYS A 98 -5.816 -4.755 5.329 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.211 -6.370 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.105 -4.998 7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.570 -3.540 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.787 -5.504 7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.143 -4.772 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.311 -2.580 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.708 -3.525 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.035 -2.609 9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.335 -1.996 8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.404 -3.573 9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.043 -4.484 8.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.086 -4.643 9.424 1.00 0.00 H new ATOM 1637 N ALA A 99 -8.469 -3.455 4.069 1.00 0.00 N ATOM 1638 CA ALA A 99 -9.329 -2.728 3.093 1.00 0.00 C ATOM 1639 C ALA A 99 -9.508 -3.588 1.841 1.00 0.00 C ATOM 1640 O ALA A 99 -10.574 -3.645 1.264 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.664 -1.403 2.713 1.00 0.00 C ATOM 0 H ALA A 99 -7.647 -2.943 4.389 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.302 -2.527 3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -9.293 -0.872 1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.533 -0.792 3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.691 -1.600 2.263 1.00 0.00 H new ATOM 1647 N ILE A 100 -8.471 -4.263 1.421 1.00 0.00 N ATOM 1648 CA ILE A 100 -8.583 -5.126 0.211 1.00 0.00 C ATOM 1649 C ILE A 100 -9.585 -6.247 0.489 1.00 0.00 C ATOM 1650 O ILE A 100 -10.441 -6.544 -0.320 1.00 0.00 O ATOM 1651 CB ILE A 100 -7.213 -5.729 -0.118 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -6.307 -4.650 -0.718 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -7.380 -6.866 -1.127 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -4.862 -5.152 -0.739 1.00 0.00 C ATOM 0 H ILE A 100 -7.552 -4.254 1.864 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.924 -4.531 -0.636 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.763 -6.116 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.634 -4.407 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.377 -3.734 -0.131 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.404 -7.293 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.022 -7.638 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.833 -6.479 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.216 -4.385 -1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.539 -5.373 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.800 -6.056 -1.344 1.00 0.00 H new ATOM 1666 N LYS A 101 -9.489 -6.870 1.632 1.00 0.00 N ATOM 1667 CA LYS A 101 -10.441 -7.968 1.962 1.00 0.00 C ATOM 1668 C LYS A 101 -11.844 -7.387 2.149 1.00 0.00 C ATOM 1669 O LYS A 101 -12.815 -8.108 2.266 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.999 -8.657 3.255 1.00 0.00 C ATOM 1671 CG LYS A 101 -8.878 -9.653 2.948 1.00 0.00 C ATOM 1672 CD LYS A 101 -9.460 -10.876 2.238 1.00 0.00 C ATOM 1673 CE LYS A 101 -8.393 -11.497 1.333 1.00 0.00 C ATOM 1674 NZ LYS A 101 -8.108 -12.888 1.785 1.00 0.00 N ATOM 0 H LYS A 101 -8.794 -6.667 2.350 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.453 -8.694 1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.653 -7.915 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.844 -9.174 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.121 -9.182 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.384 -9.956 3.871 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.801 -11.607 2.971 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.330 -10.587 1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.736 -11.502 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.482 -10.899 1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.383 -13.311 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.763 -12.870 2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.978 -13.455 1.734 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.958 -6.090 2.177 1.00 0.00 N ATOM 1689 CA CYS A 102 -13.297 -5.459 2.356 1.00 0.00 C ATOM 1690 C CYS A 102 -13.883 -5.113 0.986 1.00 0.00 C ATOM 1691 O CYS A 102 -15.075 -5.201 0.770 1.00 0.00 O ATOM 1692 CB CYS A 102 -13.153 -4.183 3.186 1.00 0.00 C ATOM 1693 SG CYS A 102 -14.700 -3.860 4.068 1.00 0.00 S ATOM 0 H CYS A 102 -11.180 -5.436 2.084 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.961 -6.154 2.871 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -12.332 -4.289 3.896 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.908 -3.341 2.539 1.00 0.00 H new ATOM 0 HG CYS A 102 -14.578 -2.776 4.776 1.00 0.00 H new ATOM 1699 N ILE A 103 -13.054 -4.721 0.058 1.00 0.00 N ATOM 1700 CA ILE A 103 -13.561 -4.372 -1.297 1.00 0.00 C ATOM 1701 C ILE A 103 -13.794 -5.662 -2.091 1.00 0.00 C ATOM 1702 O ILE A 103 -14.619 -5.713 -2.982 1.00 0.00 O ATOM 1703 CB ILE A 103 -12.526 -3.479 -2.005 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.762 -2.020 -1.592 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -12.657 -3.609 -3.526 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -12.015 -1.080 -2.543 1.00 0.00 C ATOM 0 H ILE A 103 -12.046 -4.628 0.181 1.00 0.00 H new ATOM 0 HA ILE A 103 -14.503 -3.829 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.523 -3.793 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -13.829 -1.796 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.420 -1.863 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.918 -2.971 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -12.489 -4.646 -3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -13.657 -3.303 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -12.188 -0.046 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -10.947 -1.296 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -12.378 -1.228 -3.560 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.079 -6.705 -1.769 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.269 -7.990 -2.499 1.00 0.00 C ATOM 1720 C GLU A 104 -14.592 -8.626 -2.069 1.00 0.00 C ATOM 1721 O GLU A 104 -15.032 -9.610 -2.628 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.115 -8.939 -2.168 1.00 0.00 C ATOM 1723 CG GLU A 104 -10.856 -8.491 -2.910 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.210 -9.697 -3.595 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -9.498 -10.425 -2.923 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -10.441 -9.873 -4.780 1.00 0.00 O ATOM 0 H GLU A 104 -12.373 -6.723 -1.033 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.287 -7.801 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.933 -8.946 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.375 -9.958 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.108 -7.731 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.153 -8.036 -2.213 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.229 -8.067 -1.078 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.524 -8.631 -0.606 1.00 0.00 C ATOM 1735 C GLY A 105 -17.546 -7.504 -0.461 1.00 0.00 C ATOM 1736 O GLY A 105 -18.600 -7.677 0.117 1.00 0.00 O ATOM 0 H GLY A 105 -14.907 -7.241 -0.573 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -16.887 -9.377 -1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.386 -9.137 0.350 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.240 -6.353 -0.984 1.00 0.00 N ATOM 1741 CA LEU A 106 -18.187 -5.209 -0.882 1.00 0.00 C ATOM 1742 C LEU A 106 -18.967 -5.082 -2.187 1.00 0.00 C ATOM 1743 O LEU A 106 -18.965 -4.053 -2.833 1.00 0.00 O ATOM 1744 CB LEU A 106 -17.411 -3.919 -0.619 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.685 -3.443 0.809 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -16.817 -2.222 1.115 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -19.161 -3.065 0.945 1.00 0.00 C ATOM 0 H LEU A 106 -16.371 -6.153 -1.480 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.880 -5.383 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -16.343 -4.089 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -17.708 -3.151 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 106 -17.448 -4.243 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -17.012 -1.883 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -15.765 -2.490 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -17.054 -1.422 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -19.357 -2.726 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -19.398 -2.265 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -19.781 -3.935 0.727 1.00 0.00 H new ATOM 1759 N GLU A 107 -19.632 -6.129 -2.573 1.00 0.00 N ATOM 1760 CA GLU A 107 -20.421 -6.093 -3.836 1.00 0.00 C ATOM 1761 C GLU A 107 -19.504 -5.716 -5.001 1.00 0.00 C ATOM 1762 O GLU A 107 -18.433 -5.173 -4.809 1.00 0.00 O ATOM 1763 CB GLU A 107 -21.539 -5.056 -3.710 1.00 0.00 C ATOM 1764 CG GLU A 107 -22.496 -5.470 -2.591 1.00 0.00 C ATOM 1765 CD GLU A 107 -23.799 -4.679 -2.714 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -24.556 -4.961 -3.628 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -24.017 -3.802 -1.892 1.00 0.00 O ATOM 0 H GLU A 107 -19.665 -7.014 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 107 -20.856 -7.075 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -21.116 -4.074 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -22.080 -4.972 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -22.700 -6.539 -2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -22.037 -5.286 -1.619 1.00 0.00 H new ATOM 1774 N HIS A 108 -19.911 -5.999 -6.208 1.00 0.00 N ATOM 1775 CA HIS A 108 -19.058 -5.656 -7.380 1.00 0.00 C ATOM 1776 C HIS A 108 -19.822 -4.710 -8.311 1.00 0.00 C ATOM 1777 O HIS A 108 -19.880 -4.913 -9.507 1.00 0.00 O ATOM 1778 CB HIS A 108 -18.695 -6.934 -8.138 1.00 0.00 C ATOM 1779 CG HIS A 108 -17.756 -7.762 -7.303 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -18.208 -8.736 -6.427 1.00 0.00 N ATOM 1781 CD2 HIS A 108 -16.387 -7.771 -7.201 1.00 0.00 C ATOM 1782 CE1 HIS A 108 -17.129 -9.286 -5.842 1.00 0.00 C ATOM 1783 NE2 HIS A 108 -15.993 -8.735 -6.277 1.00 0.00 N ATOM 0 H HIS A 108 -20.797 -6.452 -6.433 1.00 0.00 H new ATOM 0 HA HIS A 108 -18.147 -5.167 -7.034 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -19.596 -7.504 -8.364 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -18.228 -6.684 -9.091 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -15.718 -7.128 -7.753 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -17.176 -10.078 -5.109 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -15.042 -8.970 -5.993 1.00 0.00 H new ATOM 1791 N HIS A 109 -20.405 -3.673 -7.771 1.00 0.00 N ATOM 1792 CA HIS A 109 -21.159 -2.715 -8.626 1.00 0.00 C ATOM 1793 C HIS A 109 -20.290 -1.485 -8.898 1.00 0.00 C ATOM 1794 O HIS A 109 -20.567 -0.400 -8.427 1.00 0.00 O ATOM 1795 CB HIS A 109 -22.439 -2.284 -7.905 1.00 0.00 C ATOM 1796 CG HIS A 109 -23.546 -2.109 -8.909 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -24.793 -2.689 -8.742 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -23.607 -1.423 -10.097 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -25.546 -2.343 -9.804 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -24.871 -1.572 -10.660 1.00 0.00 N ATOM 0 H HIS A 109 -20.391 -3.449 -6.776 1.00 0.00 H new ATOM 0 HA HIS A 109 -21.418 -3.196 -9.569 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -22.721 -3.032 -7.164 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -22.270 -1.351 -7.368 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -22.797 -0.854 -10.529 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -26.571 -2.652 -9.946 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -25.209 -1.177 -11.538 1.00 0.00 H new ATOM 1808 N HIS A 110 -19.236 -1.647 -9.651 1.00 0.00 N ATOM 1809 CA HIS A 110 -18.349 -0.488 -9.948 1.00 0.00 C ATOM 1810 C HIS A 110 -18.036 0.258 -8.650 1.00 0.00 C ATOM 1811 O HIS A 110 -18.401 -0.171 -7.574 1.00 0.00 O ATOM 1812 CB HIS A 110 -19.052 0.457 -10.925 1.00 0.00 C ATOM 1813 CG HIS A 110 -18.143 0.738 -12.090 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -17.519 -0.275 -12.800 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -17.742 1.911 -12.680 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -16.782 0.302 -13.766 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -16.882 1.633 -13.738 1.00 0.00 N ATOM 0 H HIS A 110 -18.952 -2.531 -10.073 1.00 0.00 H new ATOM 0 HA HIS A 110 -17.421 -0.845 -10.395 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -19.982 0.010 -11.275 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -19.315 1.388 -10.422 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -18.048 2.899 -12.370 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.182 -0.245 -14.478 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -16.426 2.302 -14.359 1.00 0.00 H new ATOM 1825 N HIS A 111 -17.362 1.372 -8.741 1.00 0.00 N ATOM 1826 CA HIS A 111 -17.027 2.142 -7.511 1.00 0.00 C ATOM 1827 C HIS A 111 -17.743 3.494 -7.545 1.00 0.00 C ATOM 1828 O HIS A 111 -17.271 4.471 -6.997 1.00 0.00 O ATOM 1829 CB HIS A 111 -15.514 2.367 -7.447 1.00 0.00 C ATOM 1830 CG HIS A 111 -14.819 1.045 -7.269 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -15.174 0.152 -6.270 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -13.789 0.450 -7.956 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -14.370 -0.921 -6.382 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -13.507 -0.791 -7.394 1.00 0.00 N ATOM 0 H HIS A 111 -17.029 1.782 -9.614 1.00 0.00 H new ATOM 0 HA HIS A 111 -17.349 1.583 -6.633 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -15.168 2.852 -8.360 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -15.269 3.033 -6.620 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -13.276 0.880 -8.804 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -14.416 -1.783 -5.733 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -12.795 -1.458 -7.691 1.00 0.00 H new ATOM 1842 N HIS A 112 -18.876 3.558 -8.187 1.00 0.00 N ATOM 1843 CA HIS A 112 -19.620 4.847 -8.257 1.00 0.00 C ATOM 1844 C HIS A 112 -18.786 5.870 -9.030 1.00 0.00 C ATOM 1845 O HIS A 112 -17.736 6.291 -8.587 1.00 0.00 O ATOM 1846 CB HIS A 112 -19.880 5.365 -6.842 1.00 0.00 C ATOM 1847 CG HIS A 112 -20.807 6.549 -6.905 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -20.604 7.688 -6.143 1.00 0.00 N ATOM 1849 CD2 HIS A 112 -21.946 6.783 -7.635 1.00 0.00 C ATOM 1850 CE1 HIS A 112 -21.597 8.549 -6.429 1.00 0.00 C ATOM 1851 NE2 HIS A 112 -22.442 8.048 -7.334 1.00 0.00 N ATOM 0 H HIS A 112 -19.319 2.774 -8.666 1.00 0.00 H new ATOM 0 HA HIS A 112 -20.572 4.692 -8.765 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -20.319 4.577 -6.230 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -18.940 5.650 -6.369 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -22.389 6.091 -8.336 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -21.699 9.527 -5.981 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -23.272 8.496 -7.721 1.00 0.00 H new ATOM 1859 N HIS A 113 -19.244 6.274 -10.182 1.00 0.00 N ATOM 1860 CA HIS A 113 -18.475 7.268 -10.981 1.00 0.00 C ATOM 1861 C HIS A 113 -17.087 6.704 -11.294 1.00 0.00 C ATOM 1862 O HIS A 113 -16.877 6.292 -12.422 1.00 0.00 O ATOM 1863 CB HIS A 113 -18.331 8.563 -10.182 1.00 0.00 C ATOM 1864 CG HIS A 113 -18.019 9.699 -11.119 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -18.609 9.808 -12.369 1.00 0.00 N ATOM 1866 CD2 HIS A 113 -17.182 10.780 -11.003 1.00 0.00 C ATOM 1867 CE1 HIS A 113 -18.123 10.921 -12.950 1.00 0.00 C ATOM 1868 NE2 HIS A 113 -17.249 11.550 -12.161 1.00 0.00 N ATOM 1869 OXT HIS A 113 -16.259 6.695 -10.398 1.00 0.00 O ATOM 0 H HIS A 113 -20.117 5.959 -10.605 1.00 0.00 H new ATOM 0 HA HIS A 113 -19.003 7.474 -11.912 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -19.251 8.770 -9.636 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -17.538 8.460 -9.442 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -16.565 11.000 -10.144 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -18.406 11.263 -13.935 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -16.740 12.410 -12.363 1.00 0.00 H new TER 1877 HIS A 113