USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=30 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 24 MET CE :methyl -142:sc= -6.84! (180deg=-11.7!) USER MOD Set 1.2: A 45 LYS NZ :NH3+ -129:sc= -0.322 (180deg=0) USER MOD Set 2.1: A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= -5.13! C(o=-5.1!,f=-7.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.104 (180deg=-0.142) USER MOD Single : A 4 LYS NZ :NH3+ 149:sc= -0.592 (180deg=-2.42!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -176:sc= -0.451 (180deg=-0.518) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -96:sc= -1.38! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 22:sc= -1.03 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+ 142:sc= 0.214 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.305 USER MOD Single : A 42 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.082) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -114:sc= -1.79 (180deg=-5.31!) USER MOD Single : A 51 LYS NZ :NH3+ 151:sc= 0.018 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.871 USER MOD Single : A 54 THR OG1 : rot 36:sc= -3.26! USER MOD Single : A 56 THR OG1 : rot 77:sc= -0.733! USER MOD Single : A 57 SER OG : rot 180:sc= -0.751 USER MOD Single : A 59 CYS SG : rot 126:sc= -20.4! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -134:sc= -0.172 (180deg=-0.349) USER MOD Single : A 70 LYS NZ :NH3+ -149:sc= -0.103 (180deg=-0.988) USER MOD Single : A 72 THR OG1 : rot 9:sc= 0.246 USER MOD Single : A 73 THR OG1 : rot 172:sc= -1.42 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc=-0.000128 K(o=-0.00013,f=-1.4) USER MOD Single : A 77 GLN : amide:sc= -2.89! C(o=-2.9!,f=-7.1!) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -0.316 F(o=-1.7,f=-0.32) USER MOD Single : A 82 GLN :FLIP amide:sc= 1.13 F(o=-0.13,f=1.1) USER MOD Single : A 97 ASN :FLIP amide:sc= -0.352 F(o=-2.2,f=-0.35) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 108 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.26) USER MOD Single : A 109 HIS : no HE2:sc= -0.269 K(o=-0.27,f=-1.1) USER MOD Single : A 110 HIS : no HD1:sc= -0.774 K(o=-0.77,f=-1.9!) USER MOD Single : A 111 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.47) USER MOD Single : A 112 HIS :FLIP no HD1:sc= -2.95! C(o=-4.1!,f=-2.9!) USER MOD Single : A 113 HIS : no HD1:sc= -0.336 X(o=-0.34,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.011 11.722 0.197 1.00 0.00 N ATOM 2 CA MET A 1 -17.097 11.497 1.194 1.00 0.00 C ATOM 3 C MET A 1 -16.589 10.568 2.299 1.00 0.00 C ATOM 4 O MET A 1 -17.160 10.491 3.369 1.00 0.00 O ATOM 5 CB MET A 1 -18.299 10.854 0.500 1.00 0.00 C ATOM 6 CG MET A 1 -19.256 11.948 0.020 1.00 0.00 C ATOM 7 SD MET A 1 -20.532 12.226 1.272 1.00 0.00 S ATOM 8 CE MET A 1 -21.950 11.726 0.265 1.00 0.00 C ATOM 0 H1 MET A 1 -16.285 12.491 -0.447 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.134 11.981 0.692 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.856 10.851 -0.350 1.00 0.00 H new ATOM 0 HA MET A 1 -17.396 12.451 1.629 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.965 10.251 -0.345 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.813 10.182 1.187 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.706 12.871 -0.166 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.716 11.655 -0.924 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.864 11.820 0.851 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.015 12.366 -0.615 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.826 10.690 -0.049 1.00 0.00 H new ATOM 20 N GLU A 2 -15.521 9.862 2.049 1.00 0.00 N ATOM 21 CA GLU A 2 -14.979 8.938 3.085 1.00 0.00 C ATOM 22 C GLU A 2 -13.906 9.665 3.903 1.00 0.00 C ATOM 23 O GLU A 2 -13.418 10.702 3.499 1.00 0.00 O ATOM 24 CB GLU A 2 -14.361 7.715 2.404 1.00 0.00 C ATOM 25 CG GLU A 2 -15.198 7.336 1.181 1.00 0.00 C ATOM 26 CD GLU A 2 -16.597 6.910 1.632 1.00 0.00 C ATOM 27 OE1 GLU A 2 -16.784 6.726 2.823 1.00 0.00 O ATOM 28 OE2 GLU A 2 -17.457 6.774 0.777 1.00 0.00 O ATOM 0 H GLU A 2 -15.000 9.885 1.172 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.785 8.617 3.745 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.336 7.932 2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.319 6.879 3.102 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -15.267 8.182 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.717 6.524 0.635 1.00 0.00 H new ATOM 35 N PRO A 3 -13.571 9.097 5.035 1.00 0.00 N ATOM 36 CA PRO A 3 -12.567 9.671 5.919 1.00 0.00 C ATOM 37 C PRO A 3 -11.300 10.017 5.131 1.00 0.00 C ATOM 38 O PRO A 3 -11.229 9.821 3.934 1.00 0.00 O ATOM 39 CB PRO A 3 -12.285 8.574 6.939 1.00 0.00 C ATOM 40 CG PRO A 3 -13.601 7.734 6.944 1.00 0.00 C ATOM 41 CD PRO A 3 -14.176 7.840 5.504 1.00 0.00 C ATOM 0 HA PRO A 3 -12.903 10.595 6.390 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.424 7.970 6.651 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.069 8.988 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.401 6.696 7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.309 8.120 7.677 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.888 6.991 4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.265 7.883 5.500 1.00 0.00 H new ATOM 49 N LYS A 4 -10.302 10.532 5.793 1.00 0.00 N ATOM 50 CA LYS A 4 -9.043 10.893 5.082 1.00 0.00 C ATOM 51 C LYS A 4 -8.196 9.635 4.873 1.00 0.00 C ATOM 52 O LYS A 4 -7.266 9.371 5.610 1.00 0.00 O ATOM 53 CB LYS A 4 -8.259 11.907 5.918 1.00 0.00 C ATOM 54 CG LYS A 4 -9.177 13.069 6.307 1.00 0.00 C ATOM 55 CD LYS A 4 -8.540 13.867 7.446 1.00 0.00 C ATOM 56 CE LYS A 4 -9.636 14.485 8.316 1.00 0.00 C ATOM 57 NZ LYS A 4 -10.631 13.438 8.681 1.00 0.00 N ATOM 0 H LYS A 4 -10.303 10.719 6.796 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.284 11.331 4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.863 11.427 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.405 12.278 5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.346 13.716 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.151 12.689 6.616 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.907 13.217 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.899 14.650 7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.200 14.917 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.127 15.297 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.036 13.654 9.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.390 13.418 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.163 12.510 8.713 1.00 0.00 H new ATOM 71 N ARG A 5 -8.509 8.858 3.872 1.00 0.00 N ATOM 72 CA ARG A 5 -7.722 7.618 3.613 1.00 0.00 C ATOM 73 C ARG A 5 -7.766 6.715 4.847 1.00 0.00 C ATOM 74 O ARG A 5 -8.147 7.135 5.922 1.00 0.00 O ATOM 75 CB ARG A 5 -6.270 7.992 3.305 1.00 0.00 C ATOM 76 CG ARG A 5 -6.228 8.907 2.079 1.00 0.00 C ATOM 77 CD ARG A 5 -5.231 10.040 2.321 1.00 0.00 C ATOM 78 NE ARG A 5 -5.678 11.259 1.589 1.00 0.00 N ATOM 79 CZ ARG A 5 -5.314 12.441 2.006 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.054 12.691 2.232 1.00 0.00 N ATOM 81 NH2 ARG A 5 -6.209 13.371 2.197 1.00 0.00 N ATOM 0 H ARG A 5 -9.276 9.028 3.222 1.00 0.00 H new ATOM 0 HA ARG A 5 -8.150 7.088 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.823 8.495 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.683 7.092 3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.939 8.337 1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.219 9.316 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -5.155 10.251 3.388 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.238 9.743 1.983 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.268 11.169 0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.355 11.963 2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.768 13.614 2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.194 13.175 2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.923 14.294 2.523 1.00 0.00 H new ATOM 95 N ILE A 6 -7.379 5.475 4.703 1.00 0.00 N ATOM 96 CA ILE A 6 -7.401 4.549 5.870 1.00 0.00 C ATOM 97 C ILE A 6 -6.057 4.610 6.599 1.00 0.00 C ATOM 98 O ILE A 6 -5.960 5.127 7.694 1.00 0.00 O ATOM 99 CB ILE A 6 -7.653 3.120 5.387 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.866 3.103 4.456 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.922 2.214 6.592 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.192 1.660 4.065 1.00 0.00 C ATOM 0 H ILE A 6 -7.049 5.065 3.829 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.198 4.848 6.551 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.777 2.759 4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.723 3.559 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.661 3.695 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.102 1.195 6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.058 2.226 7.256 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.798 2.575 7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.057 1.649 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.336 1.220 3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.415 1.082 4.962 1.00 0.00 H new ATOM 114 N ARG A 7 -5.018 4.089 6.002 1.00 0.00 N ATOM 115 CA ARG A 7 -3.686 4.126 6.674 1.00 0.00 C ATOM 116 C ARG A 7 -2.727 5.010 5.878 1.00 0.00 C ATOM 117 O ARG A 7 -2.465 4.768 4.719 1.00 0.00 O ATOM 118 CB ARG A 7 -3.109 2.715 6.764 1.00 0.00 C ATOM 119 CG ARG A 7 -1.951 2.714 7.756 1.00 0.00 C ATOM 120 CD ARG A 7 -2.455 2.228 9.108 1.00 0.00 C ATOM 121 NE ARG A 7 -3.083 3.361 9.842 1.00 0.00 N ATOM 122 CZ ARG A 7 -3.509 3.189 11.063 1.00 0.00 C ATOM 123 NH1 ARG A 7 -2.889 2.362 11.859 1.00 0.00 N ATOM 124 NH2 ARG A 7 -4.556 3.843 11.487 1.00 0.00 N ATOM 0 H ARG A 7 -5.033 3.643 5.085 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.810 4.533 7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.879 2.013 7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.765 2.386 5.784 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.150 2.067 7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.534 3.717 7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.179 1.425 8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.629 1.817 9.689 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.180 4.271 9.391 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.072 1.850 11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.222 2.227 12.814 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.041 4.488 10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.889 3.709 12.442 1.00 0.00 H new ATOM 138 N GLU A 8 -2.193 6.028 6.493 1.00 0.00 N ATOM 139 CA GLU A 8 -1.244 6.916 5.767 1.00 0.00 C ATOM 140 C GLU A 8 0.015 7.099 6.611 1.00 0.00 C ATOM 141 O GLU A 8 -0.049 7.316 7.805 1.00 0.00 O ATOM 142 CB GLU A 8 -1.893 8.276 5.517 1.00 0.00 C ATOM 143 CG GLU A 8 -2.571 8.765 6.798 1.00 0.00 C ATOM 144 CD GLU A 8 -4.077 8.513 6.710 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.462 7.356 6.656 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.820 9.480 6.697 1.00 0.00 O ATOM 0 H GLU A 8 -2.372 6.283 7.464 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.984 6.464 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.140 8.996 5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.625 8.199 4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.155 8.247 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.378 9.828 6.941 1.00 0.00 H new ATOM 153 N GLY A 9 1.161 7.008 6.000 1.00 0.00 N ATOM 154 CA GLY A 9 2.425 7.169 6.762 1.00 0.00 C ATOM 155 C GLY A 9 3.569 7.439 5.787 1.00 0.00 C ATOM 156 O GLY A 9 3.396 8.084 4.773 1.00 0.00 O ATOM 0 H GLY A 9 1.276 6.828 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.334 7.992 7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.631 6.270 7.342 1.00 0.00 H new ATOM 160 N TYR A 10 4.738 6.954 6.091 1.00 0.00 N ATOM 161 CA TYR A 10 5.903 7.190 5.190 1.00 0.00 C ATOM 162 C TYR A 10 6.795 5.946 5.130 1.00 0.00 C ATOM 163 O TYR A 10 7.580 5.692 6.022 1.00 0.00 O ATOM 164 CB TYR A 10 6.721 8.363 5.734 1.00 0.00 C ATOM 165 CG TYR A 10 7.093 8.086 7.173 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.114 8.141 8.172 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.418 7.769 7.506 1.00 0.00 C ATOM 168 CE1 TYR A 10 6.457 7.881 9.507 1.00 0.00 C ATOM 169 CE2 TYR A 10 8.762 7.509 8.840 1.00 0.00 C ATOM 170 CZ TYR A 10 7.781 7.565 9.841 1.00 0.00 C ATOM 171 OH TYR A 10 8.118 7.308 11.154 1.00 0.00 O ATOM 0 H TYR A 10 4.940 6.403 6.925 1.00 0.00 H new ATOM 0 HA TYR A 10 5.537 7.412 4.187 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.620 8.504 5.134 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.145 9.286 5.666 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.094 8.384 7.915 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.173 7.725 6.735 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.701 7.924 10.277 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.782 7.266 9.097 1.00 0.00 H new ATOM 0 HH TYR A 10 9.075 7.105 11.212 1.00 0.00 H new ATOM 181 N LEU A 11 6.701 5.184 4.072 1.00 0.00 N ATOM 182 CA LEU A 11 7.568 3.972 3.944 1.00 0.00 C ATOM 183 C LEU A 11 8.249 3.998 2.575 1.00 0.00 C ATOM 184 O LEU A 11 7.712 4.523 1.619 1.00 0.00 O ATOM 185 CB LEU A 11 6.736 2.687 4.043 1.00 0.00 C ATOM 186 CG LEU A 11 5.671 2.802 5.135 1.00 0.00 C ATOM 187 CD1 LEU A 11 6.256 3.469 6.379 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.508 3.625 4.600 1.00 0.00 C ATOM 0 H LEU A 11 6.064 5.346 3.292 1.00 0.00 H new ATOM 0 HA LEU A 11 8.301 3.983 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.258 2.485 3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.391 1.842 4.257 1.00 0.00 H new ATOM 0 HG LEU A 11 5.324 1.807 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.487 3.544 7.147 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.087 2.872 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.612 4.467 6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.741 3.715 5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.862 4.618 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.087 3.133 3.724 1.00 0.00 H new ATOM 200 N VAL A 12 9.415 3.426 2.462 1.00 0.00 N ATOM 201 CA VAL A 12 10.105 3.419 1.138 1.00 0.00 C ATOM 202 C VAL A 12 9.523 2.290 0.286 1.00 0.00 C ATOM 203 O VAL A 12 9.307 1.194 0.756 1.00 0.00 O ATOM 204 CB VAL A 12 11.624 3.240 1.329 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.903 2.346 2.535 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.248 2.608 0.079 1.00 0.00 C ATOM 0 H VAL A 12 9.918 2.966 3.221 1.00 0.00 H new ATOM 0 HA VAL A 12 9.945 4.370 0.630 1.00 0.00 H new ATOM 0 HB VAL A 12 12.065 4.223 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.979 2.228 2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.483 2.802 3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.446 1.369 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.321 2.488 0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.795 1.633 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.072 3.253 -0.782 1.00 0.00 H new ATOM 216 N LYS A 13 9.251 2.555 -0.960 1.00 0.00 N ATOM 217 CA LYS A 13 8.663 1.494 -1.829 1.00 0.00 C ATOM 218 C LYS A 13 9.484 1.350 -3.110 1.00 0.00 C ATOM 219 O LYS A 13 9.156 1.927 -4.128 1.00 0.00 O ATOM 220 CB LYS A 13 7.225 1.877 -2.188 1.00 0.00 C ATOM 221 CG LYS A 13 6.282 0.724 -1.838 1.00 0.00 C ATOM 222 CD LYS A 13 4.974 0.877 -2.616 1.00 0.00 C ATOM 223 CE LYS A 13 3.799 0.487 -1.719 1.00 0.00 C ATOM 224 NZ LYS A 13 3.489 -0.958 -1.907 1.00 0.00 N ATOM 0 H LYS A 13 9.408 3.454 -1.414 1.00 0.00 H new ATOM 0 HA LYS A 13 8.672 0.545 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.932 2.776 -1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.154 2.108 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.752 -0.229 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.081 0.717 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.859 1.906 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.991 0.247 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.043 0.685 -0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.926 1.092 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.648 -1.208 -1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.305 -1.146 -2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.297 -1.531 -1.590 1.00 0.00 H new ATOM 238 N LYS A 14 10.540 0.576 -3.064 1.00 0.00 N ATOM 239 CA LYS A 14 11.394 0.374 -4.274 1.00 0.00 C ATOM 240 C LYS A 14 11.444 1.659 -5.107 1.00 0.00 C ATOM 241 O LYS A 14 11.348 2.752 -4.586 1.00 0.00 O ATOM 242 CB LYS A 14 10.815 -0.763 -5.120 1.00 0.00 C ATOM 243 CG LYS A 14 11.947 -1.691 -5.568 1.00 0.00 C ATOM 244 CD LYS A 14 12.030 -1.695 -7.095 1.00 0.00 C ATOM 245 CE LYS A 14 12.057 -3.138 -7.601 1.00 0.00 C ATOM 246 NZ LYS A 14 11.923 -3.147 -9.085 1.00 0.00 N ATOM 0 H LYS A 14 10.849 0.072 -2.233 1.00 0.00 H new ATOM 0 HA LYS A 14 12.405 0.119 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.079 -1.322 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.297 -0.357 -5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.894 -1.358 -5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.770 -2.702 -5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.176 -1.166 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.925 -1.167 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.989 -3.620 -7.306 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.246 -3.708 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.941 -4.128 -9.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.023 -2.702 -9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.711 -2.617 -9.508 1.00 0.00 H new ATOM 260 N GLY A 15 11.589 1.536 -6.399 1.00 0.00 N ATOM 261 CA GLY A 15 11.638 2.751 -7.261 1.00 0.00 C ATOM 262 C GLY A 15 10.982 2.444 -8.608 1.00 0.00 C ATOM 263 O GLY A 15 10.787 1.300 -8.969 1.00 0.00 O ATOM 0 H GLY A 15 11.675 0.648 -6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.122 3.578 -6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.672 3.063 -7.410 1.00 0.00 H new ATOM 267 N SER A 16 10.636 3.457 -9.355 1.00 0.00 N ATOM 268 CA SER A 16 9.990 3.221 -10.677 1.00 0.00 C ATOM 269 C SER A 16 11.066 3.099 -11.759 1.00 0.00 C ATOM 270 O SER A 16 10.811 3.316 -12.927 1.00 0.00 O ATOM 271 CB SER A 16 9.065 4.393 -11.007 1.00 0.00 C ATOM 272 OG SER A 16 7.979 4.405 -10.090 1.00 0.00 O ATOM 0 H SER A 16 10.773 4.437 -9.107 1.00 0.00 H new ATOM 0 HA SER A 16 9.410 2.299 -10.638 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.615 5.333 -10.950 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.693 4.302 -12.028 1.00 0.00 H new ATOM 0 HG SER A 16 7.384 5.156 -10.297 1.00 0.00 H new ATOM 278 N VAL A 17 12.265 2.749 -11.382 1.00 0.00 N ATOM 279 CA VAL A 17 13.353 2.611 -12.392 1.00 0.00 C ATOM 280 C VAL A 17 14.555 1.910 -11.754 1.00 0.00 C ATOM 281 O VAL A 17 15.138 2.393 -10.805 1.00 0.00 O ATOM 282 CB VAL A 17 13.770 3.997 -12.889 1.00 0.00 C ATOM 283 CG1 VAL A 17 14.036 4.916 -11.694 1.00 0.00 C ATOM 284 CG2 VAL A 17 15.043 3.877 -13.731 1.00 0.00 C ATOM 0 H VAL A 17 12.539 2.553 -10.419 1.00 0.00 H new ATOM 0 HA VAL A 17 12.994 2.020 -13.234 1.00 0.00 H new ATOM 0 HB VAL A 17 12.968 4.417 -13.497 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.333 5.902 -12.052 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.130 5.005 -11.095 1.00 0.00 H new ATOM 0 HG13 VAL A 17 14.835 4.496 -11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.340 4.864 -14.085 1.00 0.00 H new ATOM 0 HG22 VAL A 17 15.843 3.454 -13.123 1.00 0.00 H new ATOM 0 HG23 VAL A 17 14.854 3.227 -14.585 1.00 0.00 H new ATOM 294 N PHE A 18 14.929 0.769 -12.266 1.00 0.00 N ATOM 295 CA PHE A 18 16.089 0.038 -11.685 1.00 0.00 C ATOM 296 C PHE A 18 15.799 -0.295 -10.221 1.00 0.00 C ATOM 297 O PHE A 18 15.042 0.387 -9.558 1.00 0.00 O ATOM 298 CB PHE A 18 17.341 0.914 -11.768 1.00 0.00 C ATOM 299 CG PHE A 18 17.744 1.089 -13.212 1.00 0.00 C ATOM 300 CD1 PHE A 18 18.033 -0.032 -14.003 1.00 0.00 C ATOM 301 CD2 PHE A 18 17.830 2.375 -13.763 1.00 0.00 C ATOM 302 CE1 PHE A 18 18.407 0.135 -15.344 1.00 0.00 C ATOM 303 CE2 PHE A 18 18.205 2.540 -15.103 1.00 0.00 C ATOM 304 CZ PHE A 18 18.493 1.420 -15.893 1.00 0.00 C ATOM 0 H PHE A 18 14.481 0.312 -13.061 1.00 0.00 H new ATOM 0 HA PHE A 18 16.253 -0.883 -12.244 1.00 0.00 H new ATOM 0 HB2 PHE A 18 17.147 1.886 -11.314 1.00 0.00 H new ATOM 0 HB3 PHE A 18 18.155 0.456 -11.206 1.00 0.00 H new ATOM 0 HD1 PHE A 18 17.968 -1.023 -13.580 1.00 0.00 H new ATOM 0 HD2 PHE A 18 17.607 3.239 -13.155 1.00 0.00 H new ATOM 0 HE1 PHE A 18 18.629 -0.728 -15.954 1.00 0.00 H new ATOM 0 HE2 PHE A 18 18.272 3.531 -15.527 1.00 0.00 H new ATOM 0 HZ PHE A 18 18.781 1.548 -16.926 1.00 0.00 H new ATOM 314 N ASN A 19 16.397 -1.334 -9.708 1.00 0.00 N ATOM 315 CA ASN A 19 16.154 -1.703 -8.286 1.00 0.00 C ATOM 316 C ASN A 19 16.567 -0.536 -7.386 1.00 0.00 C ATOM 317 O ASN A 19 17.697 -0.448 -6.948 1.00 0.00 O ATOM 318 CB ASN A 19 16.982 -2.940 -7.932 1.00 0.00 C ATOM 319 CG ASN A 19 16.046 -4.109 -7.618 1.00 0.00 C ATOM 320 OD1 ASN A 19 14.925 -4.146 -8.084 1.00 0.00 O ATOM 321 ND2 ASN A 19 16.463 -5.071 -6.843 1.00 0.00 N ATOM 0 H ASN A 19 17.043 -1.943 -10.211 1.00 0.00 H new ATOM 0 HA ASN A 19 15.096 -1.922 -8.139 1.00 0.00 H new ATOM 0 HB2 ASN A 19 17.640 -3.200 -8.761 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.620 -2.730 -7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.848 -5.855 -6.628 1.00 0.00 H new ATOM 0 HD22 ASN A 19 17.405 -5.039 -6.452 1.00 0.00 H new ATOM 328 N THR A 20 15.661 0.361 -7.107 1.00 0.00 N ATOM 329 CA THR A 20 16.004 1.521 -6.237 1.00 0.00 C ATOM 330 C THR A 20 15.121 1.503 -4.991 1.00 0.00 C ATOM 331 O THR A 20 14.016 0.997 -5.011 1.00 0.00 O ATOM 332 CB THR A 20 15.767 2.823 -7.002 1.00 0.00 C ATOM 333 OG1 THR A 20 14.664 2.660 -7.880 1.00 0.00 O ATOM 334 CG2 THR A 20 17.016 3.181 -7.808 1.00 0.00 C ATOM 0 H THR A 20 14.698 0.341 -7.444 1.00 0.00 H new ATOM 0 HA THR A 20 17.052 1.454 -5.945 1.00 0.00 H new ATOM 0 HB THR A 20 15.554 3.625 -6.295 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.990 2.430 -8.775 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.844 4.110 -8.352 1.00 0.00 H new ATOM 0 HG22 THR A 20 17.861 3.308 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.234 2.381 -8.515 1.00 0.00 H new ATOM 342 N TRP A 21 15.595 2.049 -3.905 1.00 0.00 N ATOM 343 CA TRP A 21 14.777 2.054 -2.661 1.00 0.00 C ATOM 344 C TRP A 21 14.799 3.444 -2.023 1.00 0.00 C ATOM 345 O TRP A 21 15.841 3.966 -1.682 1.00 0.00 O ATOM 346 CB TRP A 21 15.349 1.033 -1.680 1.00 0.00 C ATOM 347 CG TRP A 21 14.488 -0.185 -1.684 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.137 -0.883 -2.788 1.00 0.00 C ATOM 349 CD2 TRP A 21 13.860 -0.857 -0.556 1.00 0.00 C ATOM 350 NE1 TRP A 21 13.329 -1.940 -2.410 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.131 -1.969 -1.043 1.00 0.00 C ATOM 352 CE3 TRP A 21 13.854 -0.612 0.829 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.420 -2.807 -0.184 1.00 0.00 C ATOM 354 CZ3 TRP A 21 13.139 -1.453 1.697 1.00 0.00 C ATOM 355 CH2 TRP A 21 12.424 -2.549 1.191 1.00 0.00 C ATOM 0 H TRP A 21 16.511 2.491 -3.826 1.00 0.00 H new ATOM 0 HA TRP A 21 13.747 1.794 -2.907 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.370 0.773 -1.961 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.393 1.459 -0.678 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.438 -0.653 -3.799 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.928 -2.615 -3.061 1.00 0.00 H new ATOM 0 HE3 TRP A 21 14.403 0.228 1.228 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.870 -3.649 -0.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 13.139 -1.255 2.759 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.877 -3.193 1.863 1.00 0.00 H new ATOM 366 N LYS A 22 13.651 4.043 -1.852 1.00 0.00 N ATOM 367 CA LYS A 22 13.603 5.395 -1.229 1.00 0.00 C ATOM 368 C LYS A 22 12.310 5.539 -0.410 1.00 0.00 C ATOM 369 O LYS A 22 11.268 5.044 -0.806 1.00 0.00 O ATOM 370 CB LYS A 22 13.633 6.465 -2.321 1.00 0.00 C ATOM 371 CG LYS A 22 14.595 6.037 -3.433 1.00 0.00 C ATOM 372 CD LYS A 22 15.047 7.268 -4.220 1.00 0.00 C ATOM 373 CE LYS A 22 16.076 6.854 -5.273 1.00 0.00 C ATOM 374 NZ LYS A 22 17.419 7.367 -4.881 1.00 0.00 N ATOM 0 H LYS A 22 12.746 3.654 -2.117 1.00 0.00 H new ATOM 0 HA LYS A 22 14.465 5.520 -0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.633 6.612 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.949 7.420 -1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.459 5.529 -3.005 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.105 5.327 -4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.190 7.740 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.480 8.006 -3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.102 5.768 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.794 7.250 -6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.120 7.086 -5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.388 8.404 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.687 6.969 -3.958 1.00 0.00 H new ATOM 388 N PRO A 23 12.417 6.217 0.712 1.00 0.00 N ATOM 389 CA PRO A 23 11.280 6.441 1.591 1.00 0.00 C ATOM 390 C PRO A 23 10.330 7.469 0.975 1.00 0.00 C ATOM 391 O PRO A 23 10.741 8.525 0.536 1.00 0.00 O ATOM 392 CB PRO A 23 11.888 6.962 2.888 1.00 0.00 C ATOM 393 CG PRO A 23 13.254 7.571 2.445 1.00 0.00 C ATOM 394 CD PRO A 23 13.687 6.796 1.167 1.00 0.00 C ATOM 0 HA PRO A 23 10.692 5.538 1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.249 7.712 3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.025 6.161 3.615 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.155 8.637 2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.999 7.467 3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.125 7.457 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.429 6.028 1.388 1.00 0.00 H new ATOM 402 N MET A 24 9.061 7.164 0.931 1.00 0.00 N ATOM 403 CA MET A 24 8.086 8.116 0.333 1.00 0.00 C ATOM 404 C MET A 24 6.819 8.167 1.180 1.00 0.00 C ATOM 405 O MET A 24 6.651 7.409 2.116 1.00 0.00 O ATOM 406 CB MET A 24 7.715 7.643 -1.076 1.00 0.00 C ATOM 407 CG MET A 24 6.810 6.409 -0.991 1.00 0.00 C ATOM 408 SD MET A 24 5.213 6.786 -1.757 1.00 0.00 S ATOM 409 CE MET A 24 5.438 5.798 -3.257 1.00 0.00 C ATOM 0 H MET A 24 8.659 6.296 1.284 1.00 0.00 H new ATOM 0 HA MET A 24 8.538 9.107 0.292 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.205 8.442 -1.615 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.618 7.405 -1.638 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.279 5.564 -1.496 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.668 6.119 0.050 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.008 6.326 -4.108 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.502 5.637 -3.430 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.940 4.836 -3.137 1.00 0.00 H new ATOM 419 N TRP A 25 5.910 9.034 0.836 1.00 0.00 N ATOM 420 CA TRP A 25 4.639 9.110 1.595 1.00 0.00 C ATOM 421 C TRP A 25 3.634 8.207 0.911 1.00 0.00 C ATOM 422 O TRP A 25 3.646 8.047 -0.293 1.00 0.00 O ATOM 423 CB TRP A 25 4.114 10.543 1.607 1.00 0.00 C ATOM 424 CG TRP A 25 2.986 10.656 2.584 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.680 10.795 2.253 1.00 0.00 C ATOM 426 CD2 TRP A 25 3.039 10.644 4.040 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.931 10.877 3.415 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.724 10.788 4.541 1.00 0.00 C ATOM 429 CE3 TRP A 25 4.094 10.523 4.965 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.465 10.817 5.913 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.837 10.548 6.346 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.524 10.696 6.819 1.00 0.00 C ATOM 0 H TRP A 25 5.995 9.692 0.061 1.00 0.00 H new ATOM 0 HA TRP A 25 4.801 8.796 2.626 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.914 11.232 1.878 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.775 10.825 0.610 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.287 10.835 1.248 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.083 10.989 3.436 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.108 10.410 4.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.453 10.932 6.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.653 10.453 7.047 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.331 10.716 7.881 1.00 0.00 H new ATOM 443 N VAL A 26 2.785 7.588 1.662 1.00 0.00 N ATOM 444 CA VAL A 26 1.809 6.667 1.035 1.00 0.00 C ATOM 445 C VAL A 26 0.508 6.652 1.840 1.00 0.00 C ATOM 446 O VAL A 26 0.510 6.751 3.051 1.00 0.00 O ATOM 447 CB VAL A 26 2.451 5.277 0.978 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.336 5.069 2.202 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.374 4.186 0.920 1.00 0.00 C ATOM 0 H VAL A 26 2.721 7.676 2.676 1.00 0.00 H new ATOM 0 HA VAL A 26 1.557 6.994 0.026 1.00 0.00 H new ATOM 0 HB VAL A 26 3.059 5.210 0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.791 4.079 2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.118 5.828 2.218 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.732 5.151 3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.850 3.206 0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.745 4.248 1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.760 4.328 0.030 1.00 0.00 H new ATOM 459 N VAL A 27 -0.607 6.535 1.169 1.00 0.00 N ATOM 460 CA VAL A 27 -1.913 6.518 1.884 1.00 0.00 C ATOM 461 C VAL A 27 -2.810 5.434 1.286 1.00 0.00 C ATOM 462 O VAL A 27 -3.435 5.626 0.259 1.00 0.00 O ATOM 463 CB VAL A 27 -2.596 7.880 1.735 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.904 8.900 2.640 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.496 8.344 0.281 1.00 0.00 C ATOM 0 H VAL A 27 -0.668 6.450 0.154 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.743 6.309 2.940 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.645 7.792 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.390 9.870 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.972 8.572 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.855 8.987 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.982 9.314 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.447 8.431 -0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.988 7.618 -0.367 1.00 0.00 H new ATOM 475 N LEU A 28 -2.885 4.297 1.921 1.00 0.00 N ATOM 476 CA LEU A 28 -3.747 3.209 1.389 1.00 0.00 C ATOM 477 C LEU A 28 -5.210 3.531 1.694 1.00 0.00 C ATOM 478 O LEU A 28 -5.600 3.672 2.837 1.00 0.00 O ATOM 479 CB LEU A 28 -3.372 1.880 2.044 1.00 0.00 C ATOM 480 CG LEU A 28 -3.125 2.085 3.538 1.00 0.00 C ATOM 481 CD1 LEU A 28 -3.775 0.940 4.318 1.00 0.00 C ATOM 482 CD2 LEU A 28 -1.618 2.091 3.802 1.00 0.00 C ATOM 0 H LEU A 28 -2.387 4.076 2.783 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.603 3.129 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.171 1.154 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.478 1.472 1.572 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.556 3.034 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.601 1.082 5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.847 0.930 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.340 -0.008 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.436 2.237 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.190 1.139 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.153 2.901 3.240 1.00 0.00 H new ATOM 494 N LEU A 29 -6.021 3.649 0.679 1.00 0.00 N ATOM 495 CA LEU A 29 -7.457 3.965 0.905 1.00 0.00 C ATOM 496 C LEU A 29 -8.301 2.711 0.661 1.00 0.00 C ATOM 497 O LEU A 29 -7.829 1.725 0.129 1.00 0.00 O ATOM 498 CB LEU A 29 -7.888 5.079 -0.048 1.00 0.00 C ATOM 499 CG LEU A 29 -6.959 6.285 0.123 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.867 6.245 -0.944 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.768 7.575 -0.027 1.00 0.00 C ATOM 0 H LEU A 29 -5.750 3.540 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.602 4.297 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.855 4.724 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.919 5.369 0.156 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.502 6.253 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.207 7.104 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.290 5.326 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.324 6.277 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.108 8.434 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.225 7.605 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.548 7.606 0.734 1.00 0.00 H new ATOM 513 N GLU A 30 -9.542 2.739 1.057 1.00 0.00 N ATOM 514 CA GLU A 30 -10.419 1.548 0.867 1.00 0.00 C ATOM 515 C GLU A 30 -10.769 1.387 -0.614 1.00 0.00 C ATOM 516 O GLU A 30 -11.310 0.379 -1.023 1.00 0.00 O ATOM 517 CB GLU A 30 -11.703 1.730 1.676 1.00 0.00 C ATOM 518 CG GLU A 30 -12.324 3.091 1.355 1.00 0.00 C ATOM 519 CD GLU A 30 -13.786 3.105 1.808 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.618 2.597 1.075 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.047 3.623 2.882 1.00 0.00 O ATOM 0 H GLU A 30 -9.990 3.538 1.506 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.892 0.657 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.408 0.933 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.486 1.660 2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.769 3.883 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.262 3.288 0.285 1.00 0.00 H new ATOM 528 N ASP A 31 -10.470 2.365 -1.421 1.00 0.00 N ATOM 529 CA ASP A 31 -10.795 2.250 -2.871 1.00 0.00 C ATOM 530 C ASP A 31 -9.501 2.118 -3.679 1.00 0.00 C ATOM 531 O ASP A 31 -9.523 1.969 -4.884 1.00 0.00 O ATOM 532 CB ASP A 31 -11.558 3.497 -3.325 1.00 0.00 C ATOM 533 CG ASP A 31 -10.608 4.695 -3.356 1.00 0.00 C ATOM 534 OD1 ASP A 31 -10.050 5.010 -2.318 1.00 0.00 O ATOM 535 OD2 ASP A 31 -10.455 5.277 -4.416 1.00 0.00 O ATOM 0 H ASP A 31 -10.017 3.235 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.414 1.367 -3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.987 3.334 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.388 3.695 -2.647 1.00 0.00 H new ATOM 540 N GLY A 32 -8.375 2.170 -3.024 1.00 0.00 N ATOM 541 CA GLY A 32 -7.080 2.044 -3.756 1.00 0.00 C ATOM 542 C GLY A 32 -5.981 2.733 -2.950 1.00 0.00 C ATOM 543 O GLY A 32 -6.223 3.704 -2.264 1.00 0.00 O ATOM 0 H GLY A 32 -8.293 2.294 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.834 0.993 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.161 2.496 -4.744 1.00 0.00 H new ATOM 547 N ILE A 33 -4.776 2.237 -3.020 1.00 0.00 N ATOM 548 CA ILE A 33 -3.670 2.866 -2.244 1.00 0.00 C ATOM 549 C ILE A 33 -2.897 3.843 -3.128 1.00 0.00 C ATOM 550 O ILE A 33 -2.159 3.449 -4.008 1.00 0.00 O ATOM 551 CB ILE A 33 -2.718 1.780 -1.743 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.483 0.798 -0.854 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.586 2.423 -0.940 1.00 0.00 C ATOM 554 CD1 ILE A 33 -3.761 -0.485 -1.638 1.00 0.00 C ATOM 0 H ILE A 33 -4.510 1.426 -3.579 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.094 3.407 -1.398 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.299 1.245 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.903 0.572 0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.420 1.245 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.908 1.648 -0.583 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.039 3.120 -1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.004 2.960 -0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.306 -1.186 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.358 -0.251 -2.519 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.817 -0.934 -1.948 1.00 0.00 H new ATOM 566 N GLU A 34 -3.042 5.116 -2.890 1.00 0.00 N ATOM 567 CA GLU A 34 -2.297 6.111 -3.709 1.00 0.00 C ATOM 568 C GLU A 34 -1.189 6.719 -2.851 1.00 0.00 C ATOM 569 O GLU A 34 -1.444 7.330 -1.833 1.00 0.00 O ATOM 570 CB GLU A 34 -3.248 7.213 -4.182 1.00 0.00 C ATOM 571 CG GLU A 34 -3.833 7.942 -2.973 1.00 0.00 C ATOM 572 CD GLU A 34 -4.986 8.839 -3.427 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.429 8.676 -4.554 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.407 9.673 -2.643 1.00 0.00 O ATOM 0 H GLU A 34 -3.643 5.510 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.866 5.622 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.715 7.917 -4.821 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.050 6.782 -4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.187 7.221 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.062 8.540 -2.488 1.00 0.00 H new ATOM 581 N PHE A 35 0.042 6.542 -3.239 1.00 0.00 N ATOM 582 CA PHE A 35 1.157 7.099 -2.428 1.00 0.00 C ATOM 583 C PHE A 35 1.927 8.142 -3.243 1.00 0.00 C ATOM 584 O PHE A 35 1.996 8.073 -4.454 1.00 0.00 O ATOM 585 CB PHE A 35 2.089 5.960 -2.010 1.00 0.00 C ATOM 586 CG PHE A 35 2.208 4.951 -3.126 1.00 0.00 C ATOM 587 CD1 PHE A 35 2.856 5.302 -4.318 1.00 0.00 C ATOM 588 CD2 PHE A 35 1.678 3.665 -2.969 1.00 0.00 C ATOM 589 CE1 PHE A 35 2.972 4.366 -5.353 1.00 0.00 C ATOM 590 CE2 PHE A 35 1.795 2.727 -4.004 1.00 0.00 C ATOM 591 CZ PHE A 35 2.442 3.079 -5.197 1.00 0.00 C ATOM 0 H PHE A 35 0.323 6.037 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 35 0.756 7.584 -1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.073 6.357 -1.762 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.705 5.477 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.266 6.294 -4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.179 3.395 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.470 4.637 -6.272 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.387 1.734 -3.883 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.532 2.358 -5.996 1.00 0.00 H new ATOM 601 N TYR A 36 2.503 9.113 -2.585 1.00 0.00 N ATOM 602 CA TYR A 36 3.265 10.167 -3.315 1.00 0.00 C ATOM 603 C TYR A 36 4.664 10.291 -2.709 1.00 0.00 C ATOM 604 O TYR A 36 5.053 9.519 -1.855 1.00 0.00 O ATOM 605 CB TYR A 36 2.556 11.520 -3.179 1.00 0.00 C ATOM 606 CG TYR A 36 1.055 11.343 -3.225 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.391 10.662 -2.194 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.324 11.874 -4.295 1.00 0.00 C ATOM 609 CE1 TYR A 36 -1.000 10.511 -2.238 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.067 11.725 -4.337 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.730 11.043 -3.309 1.00 0.00 C ATOM 612 OH TYR A 36 -3.101 10.896 -3.351 1.00 0.00 O ATOM 0 H TYR A 36 2.478 9.221 -1.571 1.00 0.00 H new ATOM 0 HA TYR A 36 3.328 9.890 -4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.843 11.994 -2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.874 12.185 -3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.953 10.254 -1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.834 12.399 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.511 9.984 -1.446 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.629 12.136 -5.162 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.440 10.729 -2.447 1.00 0.00 H new ATOM 622 N LYS A 37 5.415 11.271 -3.131 1.00 0.00 N ATOM 623 CA LYS A 37 6.780 11.460 -2.565 1.00 0.00 C ATOM 624 C LYS A 37 6.649 12.116 -1.190 1.00 0.00 C ATOM 625 O LYS A 37 7.205 11.657 -0.212 1.00 0.00 O ATOM 626 CB LYS A 37 7.599 12.365 -3.488 1.00 0.00 C ATOM 627 CG LYS A 37 9.048 11.877 -3.526 1.00 0.00 C ATOM 628 CD LYS A 37 9.903 12.875 -4.309 1.00 0.00 C ATOM 629 CE LYS A 37 11.384 12.591 -4.050 1.00 0.00 C ATOM 630 NZ LYS A 37 12.216 13.577 -4.795 1.00 0.00 N ATOM 0 H LYS A 37 5.142 11.949 -3.843 1.00 0.00 H new ATOM 0 HA LYS A 37 7.283 10.497 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.175 12.357 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.560 13.395 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.433 11.769 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.099 10.893 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.688 12.797 -5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.659 13.894 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.596 12.653 -2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.632 11.578 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.223 13.385 -4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.021 13.497 -5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.986 14.539 -4.473 1.00 0.00 H new ATOM 644 N LYS A 38 5.901 13.182 -1.114 1.00 0.00 N ATOM 645 CA LYS A 38 5.706 13.871 0.192 1.00 0.00 C ATOM 646 C LYS A 38 4.289 13.578 0.688 1.00 0.00 C ATOM 647 O LYS A 38 3.567 12.804 0.093 1.00 0.00 O ATOM 648 CB LYS A 38 5.885 15.380 0.008 1.00 0.00 C ATOM 649 CG LYS A 38 7.054 15.865 0.867 1.00 0.00 C ATOM 650 CD LYS A 38 6.556 16.916 1.860 1.00 0.00 C ATOM 651 CE LYS A 38 6.149 18.182 1.104 1.00 0.00 C ATOM 652 NZ LYS A 38 7.228 19.203 1.224 1.00 0.00 N ATOM 0 H LYS A 38 5.415 13.607 -1.904 1.00 0.00 H new ATOM 0 HA LYS A 38 6.437 13.514 0.917 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.071 15.609 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.971 15.902 0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.499 15.026 1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.833 16.288 0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.707 16.527 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.338 17.147 2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.969 17.949 0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.216 18.575 1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.951 20.063 0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.379 19.433 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.109 18.827 0.819 1.00 0.00 H new ATOM 666 N LYS A 39 3.877 14.185 1.767 1.00 0.00 N ATOM 667 CA LYS A 39 2.502 13.919 2.274 1.00 0.00 C ATOM 668 C LYS A 39 1.506 13.991 1.109 1.00 0.00 C ATOM 669 O LYS A 39 0.439 13.412 1.159 1.00 0.00 O ATOM 670 CB LYS A 39 2.140 14.942 3.359 1.00 0.00 C ATOM 671 CG LYS A 39 0.613 15.049 3.498 1.00 0.00 C ATOM 672 CD LYS A 39 0.237 15.249 4.967 1.00 0.00 C ATOM 673 CE LYS A 39 1.005 14.244 5.819 1.00 0.00 C ATOM 674 NZ LYS A 39 0.120 13.711 6.892 1.00 0.00 N ATOM 0 H LYS A 39 4.427 14.847 2.315 1.00 0.00 H new ATOM 0 HA LYS A 39 2.459 12.922 2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.579 14.644 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.559 15.916 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.242 15.883 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.140 14.146 3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.473 16.266 5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.836 15.115 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.368 13.427 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.880 14.721 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.316 12.700 7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.300 14.226 7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.875 13.835 6.615 1.00 0.00 H new ATOM 688 N SER A 40 1.844 14.690 0.059 1.00 0.00 N ATOM 689 CA SER A 40 0.915 14.784 -1.102 1.00 0.00 C ATOM 690 C SER A 40 1.719 14.954 -2.391 1.00 0.00 C ATOM 691 O SER A 40 1.501 14.263 -3.366 1.00 0.00 O ATOM 692 CB SER A 40 -0.013 15.987 -0.923 1.00 0.00 C ATOM 693 OG SER A 40 -0.243 16.202 0.463 1.00 0.00 O ATOM 0 H SER A 40 2.722 15.199 -0.044 1.00 0.00 H new ATOM 0 HA SER A 40 0.321 13.872 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.433 16.875 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.958 15.811 -1.437 1.00 0.00 H new ATOM 0 HG SER A 40 -0.836 16.973 0.580 1.00 0.00 H new ATOM 699 N ASP A 41 2.644 15.878 -2.408 1.00 0.00 N ATOM 700 CA ASP A 41 3.460 16.102 -3.634 1.00 0.00 C ATOM 701 C ASP A 41 2.546 16.539 -4.783 1.00 0.00 C ATOM 702 O ASP A 41 2.956 16.620 -5.924 1.00 0.00 O ATOM 703 CB ASP A 41 4.187 14.802 -3.987 1.00 0.00 C ATOM 704 CG ASP A 41 4.701 14.855 -5.426 1.00 0.00 C ATOM 705 OD1 ASP A 41 5.805 15.334 -5.623 1.00 0.00 O ATOM 706 OD2 ASP A 41 3.981 14.416 -6.307 1.00 0.00 O ATOM 0 H ASP A 41 2.869 16.488 -1.622 1.00 0.00 H new ATOM 0 HA ASP A 41 4.196 16.887 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.020 14.646 -3.302 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.511 13.955 -3.866 1.00 0.00 H new ATOM 711 N ASN A 42 1.308 16.832 -4.487 1.00 0.00 N ATOM 712 CA ASN A 42 0.363 17.265 -5.552 1.00 0.00 C ATOM 713 C ASN A 42 0.563 16.413 -6.811 1.00 0.00 C ATOM 714 O ASN A 42 0.229 16.826 -7.904 1.00 0.00 O ATOM 715 CB ASN A 42 0.615 18.737 -5.888 1.00 0.00 C ATOM 716 CG ASN A 42 -0.582 19.576 -5.438 1.00 0.00 C ATOM 717 OD1 ASN A 42 -0.421 20.579 -4.770 1.00 0.00 O ATOM 718 ND2 ASN A 42 -1.786 19.205 -5.776 1.00 0.00 N ATOM 0 H ASN A 42 0.911 16.789 -3.549 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.659 17.139 -5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.522 19.084 -5.393 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.772 18.854 -6.960 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.592 19.756 -5.480 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.922 18.364 -6.336 1.00 0.00 H new ATOM 725 N SER A 43 1.103 15.228 -6.674 1.00 0.00 N ATOM 726 CA SER A 43 1.312 14.372 -7.878 1.00 0.00 C ATOM 727 C SER A 43 1.600 12.925 -7.455 1.00 0.00 C ATOM 728 O SER A 43 2.701 12.611 -7.052 1.00 0.00 O ATOM 729 CB SER A 43 2.500 14.907 -8.679 1.00 0.00 C ATOM 730 OG SER A 43 2.297 14.635 -10.060 1.00 0.00 O ATOM 0 H SER A 43 1.405 14.821 -5.789 1.00 0.00 H new ATOM 0 HA SER A 43 0.410 14.393 -8.490 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.607 15.980 -8.520 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.424 14.440 -8.337 1.00 0.00 H new ATOM 0 HG SER A 43 3.056 14.978 -10.576 1.00 0.00 H new ATOM 736 N PRO A 44 0.600 12.082 -7.566 1.00 0.00 N ATOM 737 CA PRO A 44 0.733 10.676 -7.209 1.00 0.00 C ATOM 738 C PRO A 44 1.930 10.052 -7.926 1.00 0.00 C ATOM 739 O PRO A 44 2.113 10.217 -9.116 1.00 0.00 O ATOM 740 CB PRO A 44 -0.564 10.030 -7.688 1.00 0.00 C ATOM 741 CG PRO A 44 -1.576 11.215 -7.730 1.00 0.00 C ATOM 742 CD PRO A 44 -0.731 12.481 -8.051 1.00 0.00 C ATOM 0 HA PRO A 44 0.897 10.537 -6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.444 9.572 -8.670 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.895 9.245 -7.008 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.339 11.051 -8.491 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.094 11.321 -6.777 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.726 12.711 -9.116 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.106 13.365 -7.536 1.00 0.00 H new ATOM 750 N LYS A 45 2.735 9.326 -7.207 1.00 0.00 N ATOM 751 CA LYS A 45 3.913 8.674 -7.831 1.00 0.00 C ATOM 752 C LYS A 45 3.490 7.283 -8.323 1.00 0.00 C ATOM 753 O LYS A 45 4.109 6.704 -9.193 1.00 0.00 O ATOM 754 CB LYS A 45 5.040 8.585 -6.784 1.00 0.00 C ATOM 755 CG LYS A 45 5.730 7.219 -6.833 1.00 0.00 C ATOM 756 CD LYS A 45 7.168 7.355 -6.328 1.00 0.00 C ATOM 757 CE LYS A 45 7.894 6.017 -6.481 1.00 0.00 C ATOM 758 NZ LYS A 45 8.446 5.597 -5.162 1.00 0.00 N ATOM 0 H LYS A 45 2.626 9.156 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 45 4.282 9.247 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.772 9.372 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.630 8.753 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.184 6.502 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.726 6.834 -7.853 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.690 8.130 -6.890 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.169 7.664 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.207 5.259 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.698 6.109 -7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.453 5.358 -5.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.345 6.375 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.927 4.764 -4.817 1.00 0.00 H new ATOM 772 N GLY A 46 2.436 6.749 -7.766 1.00 0.00 N ATOM 773 CA GLY A 46 1.964 5.401 -8.192 1.00 0.00 C ATOM 774 C GLY A 46 0.798 4.968 -7.302 1.00 0.00 C ATOM 775 O GLY A 46 0.721 5.329 -6.143 1.00 0.00 O ATOM 0 H GLY A 46 1.881 7.190 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.650 5.426 -9.235 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.778 4.679 -8.121 1.00 0.00 H new ATOM 779 N MET A 47 -0.113 4.199 -7.833 1.00 0.00 N ATOM 780 CA MET A 47 -1.272 3.749 -7.012 1.00 0.00 C ATOM 781 C MET A 47 -1.370 2.225 -7.052 1.00 0.00 C ATOM 782 O MET A 47 -0.724 1.566 -7.841 1.00 0.00 O ATOM 783 CB MET A 47 -2.565 4.345 -7.574 1.00 0.00 C ATOM 784 CG MET A 47 -2.317 5.792 -8.007 1.00 0.00 C ATOM 785 SD MET A 47 -1.242 5.812 -9.463 1.00 0.00 S ATOM 786 CE MET A 47 -1.392 7.578 -9.830 1.00 0.00 C ATOM 0 H MET A 47 -0.105 3.864 -8.796 1.00 0.00 H new ATOM 0 HA MET A 47 -1.129 4.082 -5.984 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.911 3.755 -8.423 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.351 4.310 -6.820 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.264 6.282 -8.234 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.856 6.352 -7.194 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.908 7.709 -10.781 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.960 8.067 -9.038 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.399 8.022 -9.892 1.00 0.00 H new ATOM 796 N ILE A 48 -2.193 1.667 -6.211 1.00 0.00 N ATOM 797 CA ILE A 48 -2.365 0.191 -6.194 1.00 0.00 C ATOM 798 C ILE A 48 -3.866 -0.110 -6.182 1.00 0.00 C ATOM 799 O ILE A 48 -4.608 0.513 -5.448 1.00 0.00 O ATOM 800 CB ILE A 48 -1.708 -0.390 -4.940 1.00 0.00 C ATOM 801 CG1 ILE A 48 -0.243 0.046 -4.887 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.783 -1.918 -4.988 1.00 0.00 C ATOM 803 CD1 ILE A 48 0.409 -0.497 -3.613 1.00 0.00 C ATOM 0 H ILE A 48 -2.758 2.175 -5.530 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.897 -0.257 -7.071 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.229 -0.028 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.288 -0.322 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.176 1.134 -4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.315 -2.333 -4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.827 -2.230 -5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.261 -2.280 -5.873 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.453 -0.185 -3.577 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.116 -0.107 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.355 -1.586 -3.612 1.00 0.00 H new ATOM 815 N PRO A 49 -4.280 -1.040 -7.001 1.00 0.00 N ATOM 816 CA PRO A 49 -5.685 -1.398 -7.091 1.00 0.00 C ATOM 817 C PRO A 49 -6.139 -2.110 -5.814 1.00 0.00 C ATOM 818 O PRO A 49 -5.608 -3.137 -5.439 1.00 0.00 O ATOM 819 CB PRO A 49 -5.765 -2.331 -8.296 1.00 0.00 C ATOM 820 CG PRO A 49 -4.321 -2.917 -8.398 1.00 0.00 C ATOM 821 CD PRO A 49 -3.378 -1.794 -7.884 1.00 0.00 C ATOM 0 HA PRO A 49 -6.333 -0.528 -7.203 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.507 -3.115 -8.148 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.045 -1.794 -9.202 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.221 -3.820 -7.795 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.081 -3.191 -9.425 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.517 -2.194 -7.348 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.990 -1.180 -8.696 1.00 0.00 H new ATOM 829 N LEU A 50 -7.118 -1.568 -5.146 1.00 0.00 N ATOM 830 CA LEU A 50 -7.615 -2.202 -3.891 1.00 0.00 C ATOM 831 C LEU A 50 -8.087 -3.628 -4.185 1.00 0.00 C ATOM 832 O LEU A 50 -7.884 -4.532 -3.400 1.00 0.00 O ATOM 833 CB LEU A 50 -8.789 -1.381 -3.348 1.00 0.00 C ATOM 834 CG LEU A 50 -8.502 -0.938 -1.910 1.00 0.00 C ATOM 835 CD1 LEU A 50 -8.503 -2.153 -0.987 1.00 0.00 C ATOM 836 CD2 LEU A 50 -7.135 -0.252 -1.839 1.00 0.00 C ATOM 0 H LEU A 50 -7.598 -0.709 -5.415 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.812 -2.234 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.955 -0.508 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.703 -1.975 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.276 -0.238 -1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.298 -1.834 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.478 -2.640 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.734 -2.855 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.938 0.060 -0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.361 -0.949 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.132 0.621 -2.491 1.00 0.00 H new ATOM 848 N LYS A 51 -8.724 -3.834 -5.305 1.00 0.00 N ATOM 849 CA LYS A 51 -9.219 -5.196 -5.643 1.00 0.00 C ATOM 850 C LYS A 51 -8.274 -5.866 -6.644 1.00 0.00 C ATOM 851 O LYS A 51 -8.234 -5.510 -7.804 1.00 0.00 O ATOM 852 CB LYS A 51 -10.610 -5.077 -6.265 1.00 0.00 C ATOM 853 CG LYS A 51 -11.428 -6.318 -5.923 1.00 0.00 C ATOM 854 CD LYS A 51 -12.256 -6.735 -7.140 1.00 0.00 C ATOM 855 CE LYS A 51 -11.893 -8.166 -7.539 1.00 0.00 C ATOM 856 NZ LYS A 51 -13.084 -9.047 -7.372 1.00 0.00 N ATOM 0 H LYS A 51 -8.923 -3.116 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.262 -5.800 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.111 -4.184 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.528 -4.969 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.767 -7.131 -5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.084 -6.113 -5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.319 -6.669 -6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.068 -6.056 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.552 -8.191 -8.574 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.070 -8.529 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.033 -9.832 -8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.101 -9.428 -6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.950 -8.497 -7.543 1.00 0.00 H new ATOM 870 N GLY A 52 -7.524 -6.847 -6.212 1.00 0.00 N ATOM 871 CA GLY A 52 -6.603 -7.541 -7.155 1.00 0.00 C ATOM 872 C GLY A 52 -5.170 -7.521 -6.617 1.00 0.00 C ATOM 873 O GLY A 52 -4.266 -8.057 -7.227 1.00 0.00 O ATOM 0 H GLY A 52 -7.511 -7.194 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.929 -8.571 -7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.638 -7.056 -8.130 1.00 0.00 H new ATOM 877 N SER A 53 -4.945 -6.912 -5.484 1.00 0.00 N ATOM 878 CA SER A 53 -3.558 -6.871 -4.933 1.00 0.00 C ATOM 879 C SER A 53 -3.320 -8.083 -4.037 1.00 0.00 C ATOM 880 O SER A 53 -4.229 -8.828 -3.728 1.00 0.00 O ATOM 881 CB SER A 53 -3.357 -5.587 -4.127 1.00 0.00 C ATOM 882 OG SER A 53 -2.216 -5.732 -3.292 1.00 0.00 O ATOM 0 H SER A 53 -5.654 -6.444 -4.919 1.00 0.00 H new ATOM 0 HA SER A 53 -2.847 -6.891 -5.759 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.225 -4.739 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.241 -5.381 -3.523 1.00 0.00 H new ATOM 0 HG SER A 53 -2.083 -4.910 -2.775 1.00 0.00 H new ATOM 888 N THR A 54 -2.097 -8.300 -3.632 1.00 0.00 N ATOM 889 CA THR A 54 -1.800 -9.472 -2.780 1.00 0.00 C ATOM 890 C THR A 54 -0.752 -9.088 -1.733 1.00 0.00 C ATOM 891 O THR A 54 0.331 -8.653 -2.058 1.00 0.00 O ATOM 892 CB THR A 54 -1.263 -10.583 -3.676 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.224 -10.118 -5.018 1.00 0.00 O ATOM 894 CG2 THR A 54 -2.183 -11.794 -3.590 1.00 0.00 C ATOM 0 H THR A 54 -1.295 -7.712 -3.858 1.00 0.00 H new ATOM 0 HA THR A 54 -2.699 -9.810 -2.265 1.00 0.00 H new ATOM 0 HB THR A 54 -0.261 -10.864 -3.352 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.989 -9.167 -5.028 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.800 -12.588 -4.230 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.225 -12.147 -2.560 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.184 -11.515 -3.919 1.00 0.00 H new ATOM 902 N LEU A 55 -1.065 -9.241 -0.478 1.00 0.00 N ATOM 903 CA LEU A 55 -0.082 -8.872 0.579 1.00 0.00 C ATOM 904 C LEU A 55 0.806 -10.076 0.891 1.00 0.00 C ATOM 905 O LEU A 55 0.329 -11.156 1.181 1.00 0.00 O ATOM 906 CB LEU A 55 -0.839 -8.459 1.846 1.00 0.00 C ATOM 907 CG LEU A 55 0.136 -7.865 2.866 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.014 -8.972 3.451 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.019 -6.825 2.177 1.00 0.00 C ATOM 0 H LEU A 55 -1.955 -9.604 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 55 0.537 -8.044 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.609 -7.729 1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.346 -9.323 2.275 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.428 -7.393 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.706 -8.543 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.385 -9.713 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.578 -9.450 2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.714 -6.401 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.579 -7.300 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.394 -6.032 1.766 1.00 0.00 H new ATOM 921 N THR A 56 2.097 -9.897 0.840 1.00 0.00 N ATOM 922 CA THR A 56 3.020 -11.027 1.140 1.00 0.00 C ATOM 923 C THR A 56 3.858 -10.678 2.373 1.00 0.00 C ATOM 924 O THR A 56 4.802 -9.918 2.299 1.00 0.00 O ATOM 925 CB THR A 56 3.942 -11.265 -0.058 1.00 0.00 C ATOM 926 OG1 THR A 56 3.194 -11.140 -1.260 1.00 0.00 O ATOM 927 CG2 THR A 56 4.545 -12.667 0.029 1.00 0.00 C ATOM 0 H THR A 56 2.553 -9.016 0.603 1.00 0.00 H new ATOM 0 HA THR A 56 2.443 -11.931 1.335 1.00 0.00 H new ATOM 0 HB THR A 56 4.745 -10.528 -0.051 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.041 -10.191 -1.453 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.201 -12.834 -0.825 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.119 -12.760 0.951 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.746 -13.408 0.023 1.00 0.00 H new ATOM 935 N SER A 57 3.514 -11.224 3.508 1.00 0.00 N ATOM 936 CA SER A 57 4.284 -10.919 4.746 1.00 0.00 C ATOM 937 C SER A 57 4.436 -12.192 5.586 1.00 0.00 C ATOM 938 O SER A 57 3.492 -12.934 5.764 1.00 0.00 O ATOM 939 CB SER A 57 3.536 -9.861 5.558 1.00 0.00 C ATOM 940 OG SER A 57 3.890 -8.569 5.084 1.00 0.00 O ATOM 0 H SER A 57 2.733 -11.868 3.631 1.00 0.00 H new ATOM 0 HA SER A 57 5.272 -10.545 4.476 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.460 -10.011 5.469 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.785 -9.954 6.615 1.00 0.00 H new ATOM 0 HG SER A 57 3.411 -7.888 5.601 1.00 0.00 H new ATOM 946 N PRO A 58 5.630 -12.396 6.082 1.00 0.00 N ATOM 947 CA PRO A 58 6.738 -11.483 5.845 1.00 0.00 C ATOM 948 C PRO A 58 7.307 -11.690 4.438 1.00 0.00 C ATOM 949 O PRO A 58 6.888 -12.567 3.710 1.00 0.00 O ATOM 950 CB PRO A 58 7.765 -11.855 6.886 1.00 0.00 C ATOM 951 CG PRO A 58 7.466 -13.360 7.182 1.00 0.00 C ATOM 952 CD PRO A 58 5.941 -13.554 6.929 1.00 0.00 C ATOM 0 HA PRO A 58 6.437 -10.438 5.913 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.780 -11.714 6.515 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.666 -11.243 7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 58 8.055 -14.009 6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.726 -13.615 8.209 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.726 -14.498 6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.368 -13.548 7.856 1.00 0.00 H new ATOM 960 N CYS A 59 8.263 -10.888 4.053 1.00 0.00 N ATOM 961 CA CYS A 59 8.864 -11.037 2.698 1.00 0.00 C ATOM 962 C CYS A 59 10.335 -10.617 2.746 1.00 0.00 C ATOM 963 O CYS A 59 10.685 -9.504 2.406 1.00 0.00 O ATOM 964 CB CYS A 59 8.113 -10.147 1.705 1.00 0.00 C ATOM 965 SG CYS A 59 6.677 -11.040 1.061 1.00 0.00 S ATOM 0 H CYS A 59 8.654 -10.135 4.620 1.00 0.00 H new ATOM 0 HA CYS A 59 8.791 -12.077 2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.793 -9.227 2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.773 -9.860 0.887 1.00 0.00 H new ATOM 0 HG CYS A 59 5.605 -10.326 1.242 1.00 0.00 H new ATOM 971 N GLN A 60 11.201 -11.500 3.165 1.00 0.00 N ATOM 972 CA GLN A 60 12.648 -11.149 3.234 1.00 0.00 C ATOM 973 C GLN A 60 13.363 -11.691 1.995 1.00 0.00 C ATOM 974 O GLN A 60 13.486 -12.886 1.811 1.00 0.00 O ATOM 975 CB GLN A 60 13.264 -11.773 4.489 1.00 0.00 C ATOM 976 CG GLN A 60 13.160 -10.788 5.655 1.00 0.00 C ATOM 977 CD GLN A 60 12.642 -11.517 6.896 1.00 0.00 C ATOM 978 OE1 GLN A 60 13.098 -12.597 7.214 1.00 0.00 O ATOM 979 NE2 GLN A 60 11.701 -10.969 7.615 1.00 0.00 N ATOM 0 H GLN A 60 10.969 -12.448 3.462 1.00 0.00 H new ATOM 0 HA GLN A 60 12.758 -10.065 3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.749 -12.701 4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.308 -12.027 4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.135 -10.347 5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.489 -9.970 5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.318 -10.062 7.348 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.348 -11.448 8.444 1.00 0.00 H new ATOM 988 N ASP A 61 13.839 -10.824 1.142 1.00 0.00 N ATOM 989 CA ASP A 61 14.547 -11.298 -0.081 1.00 0.00 C ATOM 990 C ASP A 61 15.052 -10.095 -0.879 1.00 0.00 C ATOM 991 O ASP A 61 16.120 -10.128 -1.458 1.00 0.00 O ATOM 992 CB ASP A 61 13.585 -12.118 -0.943 1.00 0.00 C ATOM 993 CG ASP A 61 14.346 -13.263 -1.612 1.00 0.00 C ATOM 994 OD1 ASP A 61 15.247 -13.796 -0.985 1.00 0.00 O ATOM 995 OD2 ASP A 61 14.014 -13.589 -2.740 1.00 0.00 O ATOM 0 H ASP A 61 13.768 -9.811 1.239 1.00 0.00 H new ATOM 0 HA ASP A 61 15.394 -11.920 0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.777 -12.515 -0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.126 -11.482 -1.700 1.00 0.00 H new ATOM 1000 N PHE A 62 14.302 -9.029 -0.909 1.00 0.00 N ATOM 1001 CA PHE A 62 14.753 -7.825 -1.662 1.00 0.00 C ATOM 1002 C PHE A 62 15.575 -6.951 -0.721 1.00 0.00 C ATOM 1003 O PHE A 62 16.589 -6.393 -1.093 1.00 0.00 O ATOM 1004 CB PHE A 62 13.536 -7.041 -2.157 1.00 0.00 C ATOM 1005 CG PHE A 62 13.997 -5.882 -3.009 1.00 0.00 C ATOM 1006 CD1 PHE A 62 14.690 -4.812 -2.424 1.00 0.00 C ATOM 1007 CD2 PHE A 62 13.733 -5.876 -4.385 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.119 -3.739 -3.215 1.00 0.00 C ATOM 1009 CE2 PHE A 62 14.160 -4.801 -5.176 1.00 0.00 C ATOM 1010 CZ PHE A 62 14.853 -3.733 -4.590 1.00 0.00 C ATOM 0 H PHE A 62 13.398 -8.939 -0.446 1.00 0.00 H new ATOM 0 HA PHE A 62 15.354 -8.123 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.880 -7.693 -2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 62 12.956 -6.675 -1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.893 -4.816 -1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 62 13.200 -6.700 -4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.655 -2.916 -2.765 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.955 -4.795 -6.236 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.182 -2.904 -5.199 1.00 0.00 H new ATOM 1020 N GLY A 63 15.151 -6.846 0.506 1.00 0.00 N ATOM 1021 CA GLY A 63 15.904 -6.029 1.494 1.00 0.00 C ATOM 1022 C GLY A 63 16.397 -6.951 2.608 1.00 0.00 C ATOM 1023 O GLY A 63 17.504 -6.817 3.093 1.00 0.00 O ATOM 0 H GLY A 63 14.310 -7.294 0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.746 -5.533 1.012 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.265 -5.247 1.904 1.00 0.00 H new ATOM 1027 N LYS A 64 15.580 -7.894 3.006 1.00 0.00 N ATOM 1028 CA LYS A 64 15.983 -8.844 4.081 1.00 0.00 C ATOM 1029 C LYS A 64 16.762 -8.087 5.160 1.00 0.00 C ATOM 1030 O LYS A 64 17.964 -8.219 5.283 1.00 0.00 O ATOM 1031 CB LYS A 64 16.855 -9.951 3.475 1.00 0.00 C ATOM 1032 CG LYS A 64 17.603 -10.696 4.584 1.00 0.00 C ATOM 1033 CD LYS A 64 19.108 -10.473 4.421 1.00 0.00 C ATOM 1034 CE LYS A 64 19.775 -10.444 5.797 1.00 0.00 C ATOM 1035 NZ LYS A 64 20.935 -11.381 5.808 1.00 0.00 N ATOM 0 H LYS A 64 14.645 -8.045 2.628 1.00 0.00 H new ATOM 0 HA LYS A 64 15.099 -9.294 4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 64 16.233 -10.648 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.567 -9.520 2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.275 -10.341 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.375 -11.761 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.540 -11.268 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.292 -9.535 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 64 20.109 -9.433 6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 64 19.057 -10.728 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.388 -11.361 6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 20.604 -12.346 5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.623 -11.091 5.084 1.00 0.00 H new ATOM 1049 N ARG A 65 16.085 -7.287 5.938 1.00 0.00 N ATOM 1050 CA ARG A 65 16.785 -6.515 7.001 1.00 0.00 C ATOM 1051 C ARG A 65 15.772 -6.031 8.040 1.00 0.00 C ATOM 1052 O ARG A 65 15.416 -6.747 8.955 1.00 0.00 O ATOM 1053 CB ARG A 65 17.497 -5.318 6.367 1.00 0.00 C ATOM 1054 CG ARG A 65 18.963 -5.673 6.115 1.00 0.00 C ATOM 1055 CD ARG A 65 19.861 -4.563 6.667 1.00 0.00 C ATOM 1056 NE ARG A 65 20.134 -3.566 5.595 1.00 0.00 N ATOM 1057 CZ ARG A 65 21.348 -3.126 5.404 1.00 0.00 C ATOM 1058 NH1 ARG A 65 22.251 -3.906 4.874 1.00 0.00 N ATOM 1059 NH2 ARG A 65 21.661 -1.906 5.744 1.00 0.00 N ATOM 0 H ARG A 65 15.078 -7.135 5.883 1.00 0.00 H new ATOM 0 HA ARG A 65 17.518 -7.153 7.495 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.011 -5.047 5.430 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.429 -4.451 7.024 1.00 0.00 H new ATOM 0 HG2 ARG A 65 19.205 -6.622 6.593 1.00 0.00 H new ATOM 0 HG3 ARG A 65 19.139 -5.800 5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 65 19.378 -4.078 7.515 1.00 0.00 H new ATOM 0 HD3 ARG A 65 20.797 -4.986 7.032 1.00 0.00 H new ATOM 0 HE ARG A 65 19.371 -3.226 5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 65 22.008 -4.860 4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 65 23.199 -3.561 4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 65 20.957 -1.296 6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.610 -1.562 5.595 1.00 0.00 H new ATOM 1073 N MET A 66 15.308 -4.823 7.908 1.00 0.00 N ATOM 1074 CA MET A 66 14.322 -4.289 8.888 1.00 0.00 C ATOM 1075 C MET A 66 12.936 -4.879 8.590 1.00 0.00 C ATOM 1076 O MET A 66 12.761 -6.082 8.585 1.00 0.00 O ATOM 1077 CB MET A 66 14.288 -2.761 8.784 1.00 0.00 C ATOM 1078 CG MET A 66 15.619 -2.187 9.271 1.00 0.00 C ATOM 1079 SD MET A 66 16.278 -3.231 10.594 1.00 0.00 S ATOM 1080 CE MET A 66 15.037 -2.823 11.846 1.00 0.00 C ATOM 0 H MET A 66 15.569 -4.179 7.162 1.00 0.00 H new ATOM 0 HA MET A 66 14.611 -4.569 9.901 1.00 0.00 H new ATOM 0 HB2 MET A 66 14.106 -2.460 7.752 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.468 -2.363 9.382 1.00 0.00 H new ATOM 0 HG2 MET A 66 16.329 -2.136 8.446 1.00 0.00 H new ATOM 0 HG3 MET A 66 15.477 -1.169 9.633 1.00 0.00 H new ATOM 0 HE1 MET A 66 15.532 -2.615 12.795 1.00 0.00 H new ATOM 0 HE2 MET A 66 14.476 -1.944 11.529 1.00 0.00 H new ATOM 0 HE3 MET A 66 14.355 -3.664 11.969 1.00 0.00 H new ATOM 1090 N PHE A 67 11.946 -4.057 8.348 1.00 0.00 N ATOM 1091 CA PHE A 67 10.588 -4.599 8.062 1.00 0.00 C ATOM 1092 C PHE A 67 10.211 -4.304 6.608 1.00 0.00 C ATOM 1093 O PHE A 67 9.677 -3.259 6.295 1.00 0.00 O ATOM 1094 CB PHE A 67 9.574 -3.940 8.998 1.00 0.00 C ATOM 1095 CG PHE A 67 10.012 -4.138 10.429 1.00 0.00 C ATOM 1096 CD1 PHE A 67 10.185 -5.433 10.935 1.00 0.00 C ATOM 1097 CD2 PHE A 67 10.246 -3.028 11.251 1.00 0.00 C ATOM 1098 CE1 PHE A 67 10.592 -5.618 12.264 1.00 0.00 C ATOM 1099 CE2 PHE A 67 10.653 -3.212 12.580 1.00 0.00 C ATOM 1100 CZ PHE A 67 10.826 -4.508 13.086 1.00 0.00 C ATOM 0 H PHE A 67 12.021 -3.040 8.337 1.00 0.00 H new ATOM 0 HA PHE A 67 10.586 -5.677 8.221 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.494 -2.876 8.774 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.586 -4.374 8.845 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.005 -6.289 10.301 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.113 -2.030 10.861 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.725 -6.616 12.654 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.833 -2.356 13.213 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.140 -4.651 14.110 1.00 0.00 H new ATOM 1110 N VAL A 68 10.488 -5.219 5.718 1.00 0.00 N ATOM 1111 CA VAL A 68 10.148 -4.995 4.286 1.00 0.00 C ATOM 1112 C VAL A 68 9.157 -6.073 3.824 1.00 0.00 C ATOM 1113 O VAL A 68 9.397 -7.254 3.979 1.00 0.00 O ATOM 1114 CB VAL A 68 11.436 -5.057 3.451 1.00 0.00 C ATOM 1115 CG1 VAL A 68 12.368 -6.127 4.024 1.00 0.00 C ATOM 1116 CG2 VAL A 68 11.107 -5.397 1.991 1.00 0.00 C ATOM 0 H VAL A 68 10.936 -6.112 5.923 1.00 0.00 H new ATOM 0 HA VAL A 68 9.686 -4.016 4.157 1.00 0.00 H new ATOM 0 HB VAL A 68 11.926 -4.084 3.488 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.281 -6.170 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.617 -5.878 5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.871 -7.096 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 68 12.029 -5.438 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 68 10.607 -6.365 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.451 -4.630 1.578 1.00 0.00 H new ATOM 1126 N PHE A 69 8.044 -5.677 3.260 1.00 0.00 N ATOM 1127 CA PHE A 69 7.047 -6.686 2.796 1.00 0.00 C ATOM 1128 C PHE A 69 6.957 -6.668 1.265 1.00 0.00 C ATOM 1129 O PHE A 69 7.588 -5.859 0.607 1.00 0.00 O ATOM 1130 CB PHE A 69 5.673 -6.387 3.427 1.00 0.00 C ATOM 1131 CG PHE A 69 4.892 -5.366 2.619 1.00 0.00 C ATOM 1132 CD1 PHE A 69 5.553 -4.410 1.837 1.00 0.00 C ATOM 1133 CD2 PHE A 69 3.490 -5.375 2.665 1.00 0.00 C ATOM 1134 CE1 PHE A 69 4.820 -3.469 1.103 1.00 0.00 C ATOM 1135 CE2 PHE A 69 2.756 -4.432 1.933 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.422 -3.480 1.151 1.00 0.00 C ATOM 0 H PHE A 69 7.784 -4.703 3.102 1.00 0.00 H new ATOM 0 HA PHE A 69 7.365 -7.680 3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.098 -7.310 3.500 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.812 -6.017 4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.632 -4.399 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.975 -6.110 3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.334 -2.735 0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.677 -4.439 1.972 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.856 -2.755 0.585 1.00 0.00 H new ATOM 1146 N LYS A 70 6.179 -7.552 0.696 1.00 0.00 N ATOM 1147 CA LYS A 70 6.054 -7.587 -0.788 1.00 0.00 C ATOM 1148 C LYS A 70 4.583 -7.746 -1.193 1.00 0.00 C ATOM 1149 O LYS A 70 3.966 -8.762 -0.944 1.00 0.00 O ATOM 1150 CB LYS A 70 6.862 -8.771 -1.330 1.00 0.00 C ATOM 1151 CG LYS A 70 6.501 -9.012 -2.799 1.00 0.00 C ATOM 1152 CD LYS A 70 5.633 -10.267 -2.916 1.00 0.00 C ATOM 1153 CE LYS A 70 6.431 -11.488 -2.457 1.00 0.00 C ATOM 1154 NZ LYS A 70 7.729 -11.536 -3.187 1.00 0.00 N ATOM 0 H LYS A 70 5.627 -8.249 1.195 1.00 0.00 H new ATOM 0 HA LYS A 70 6.435 -6.653 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.929 -8.569 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.654 -9.665 -0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.967 -8.150 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.408 -9.128 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.735 -10.158 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.306 -10.400 -3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.607 -11.438 -1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.862 -12.399 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.023 -12.526 -3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.619 -11.091 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.452 -11.024 -2.643 1.00 0.00 H new ATOM 1168 N ILE A 71 4.027 -6.753 -1.833 1.00 0.00 N ATOM 1169 CA ILE A 71 2.606 -6.845 -2.279 1.00 0.00 C ATOM 1170 C ILE A 71 2.595 -7.261 -3.753 1.00 0.00 C ATOM 1171 O ILE A 71 3.620 -7.305 -4.402 1.00 0.00 O ATOM 1172 CB ILE A 71 1.922 -5.477 -2.077 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.168 -5.489 -0.747 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.929 -5.177 -3.211 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.380 -4.187 -0.596 1.00 0.00 C ATOM 0 H ILE A 71 4.497 -5.879 -2.067 1.00 0.00 H new ATOM 0 HA ILE A 71 2.057 -7.585 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 71 2.691 -4.704 -2.078 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.491 -6.343 -0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.869 -5.600 0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.464 -4.206 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.458 -5.163 -4.164 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.160 -5.949 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.158 -4.195 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.067 -3.341 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.332 -4.095 -1.416 1.00 0.00 H new ATOM 1187 N THR A 72 1.448 -7.569 -4.283 1.00 0.00 N ATOM 1188 CA THR A 72 1.377 -7.986 -5.708 1.00 0.00 C ATOM 1189 C THR A 72 0.063 -7.488 -6.312 1.00 0.00 C ATOM 1190 O THR A 72 -0.960 -8.134 -6.215 1.00 0.00 O ATOM 1191 CB THR A 72 1.446 -9.516 -5.790 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.794 -9.933 -5.625 1.00 0.00 O ATOM 1193 CG2 THR A 72 0.927 -9.994 -7.149 1.00 0.00 C ATOM 0 H THR A 72 0.555 -7.550 -3.791 1.00 0.00 H new ATOM 0 HA THR A 72 2.212 -7.560 -6.264 1.00 0.00 H new ATOM 0 HB THR A 72 0.827 -9.946 -5.003 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.343 -9.167 -5.355 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.980 -11.082 -7.197 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.108 -9.676 -7.276 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.538 -9.566 -7.943 1.00 0.00 H new ATOM 1201 N THR A 73 0.085 -6.344 -6.936 1.00 0.00 N ATOM 1202 CA THR A 73 -1.163 -5.813 -7.544 1.00 0.00 C ATOM 1203 C THR A 73 -1.673 -6.806 -8.585 1.00 0.00 C ATOM 1204 O THR A 73 -0.918 -7.568 -9.155 1.00 0.00 O ATOM 1205 CB THR A 73 -0.884 -4.461 -8.210 1.00 0.00 C ATOM 1206 OG1 THR A 73 -0.388 -4.671 -9.526 1.00 0.00 O ATOM 1207 CG2 THR A 73 0.147 -3.684 -7.392 1.00 0.00 C ATOM 0 H THR A 73 0.911 -5.756 -7.050 1.00 0.00 H new ATOM 0 HA THR A 73 -1.917 -5.675 -6.769 1.00 0.00 H new ATOM 0 HB THR A 73 -1.810 -3.887 -8.259 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.332 -3.813 -9.996 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.342 -2.724 -7.870 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.238 -3.517 -6.386 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.073 -4.256 -7.336 1.00 0.00 H new ATOM 1215 N THR A 74 -2.950 -6.805 -8.830 1.00 0.00 N ATOM 1216 CA THR A 74 -3.524 -7.751 -9.828 1.00 0.00 C ATOM 1217 C THR A 74 -2.652 -7.786 -11.087 1.00 0.00 C ATOM 1218 O THR A 74 -2.665 -8.747 -11.831 1.00 0.00 O ATOM 1219 CB THR A 74 -4.941 -7.302 -10.192 1.00 0.00 C ATOM 1220 OG1 THR A 74 -5.233 -7.695 -11.526 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.054 -5.782 -10.067 1.00 0.00 C ATOM 0 H THR A 74 -3.626 -6.188 -8.381 1.00 0.00 H new ATOM 0 HA THR A 74 -3.556 -8.752 -9.397 1.00 0.00 H new ATOM 0 HB THR A 74 -5.652 -7.769 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.141 -7.409 -11.760 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.065 -5.470 -10.328 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.835 -5.484 -9.042 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.342 -5.307 -10.743 1.00 0.00 H new ATOM 1229 N LYS A 75 -1.890 -6.755 -11.338 1.00 0.00 N ATOM 1230 CA LYS A 75 -1.023 -6.750 -12.551 1.00 0.00 C ATOM 1231 C LYS A 75 0.318 -7.423 -12.233 1.00 0.00 C ATOM 1232 O LYS A 75 1.341 -7.077 -12.787 1.00 0.00 O ATOM 1233 CB LYS A 75 -0.776 -5.306 -12.994 1.00 0.00 C ATOM 1234 CG LYS A 75 -0.463 -5.279 -14.493 1.00 0.00 C ATOM 1235 CD LYS A 75 -1.751 -5.042 -15.282 1.00 0.00 C ATOM 1236 CE LYS A 75 -1.534 -3.910 -16.288 1.00 0.00 C ATOM 1237 NZ LYS A 75 -2.841 -3.267 -16.603 1.00 0.00 N ATOM 0 H LYS A 75 -1.831 -5.919 -10.757 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.520 -7.298 -13.351 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.653 -4.695 -12.784 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.053 -4.878 -12.431 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.258 -4.491 -14.710 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.007 -6.221 -14.797 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.044 -5.954 -15.802 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.564 -4.788 -14.602 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.843 -3.173 -15.878 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.080 -4.301 -17.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.693 -2.497 -17.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.486 -3.974 -17.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.257 -2.881 -15.732 1.00 0.00 H new ATOM 1251 N GLN A 76 0.321 -8.383 -11.344 1.00 0.00 N ATOM 1252 CA GLN A 76 1.595 -9.074 -10.997 1.00 0.00 C ATOM 1253 C GLN A 76 2.685 -8.034 -10.734 1.00 0.00 C ATOM 1254 O GLN A 76 3.859 -8.286 -10.929 1.00 0.00 O ATOM 1255 CB GLN A 76 2.020 -9.975 -12.157 1.00 0.00 C ATOM 1256 CG GLN A 76 2.065 -11.432 -11.689 1.00 0.00 C ATOM 1257 CD GLN A 76 3.367 -11.683 -10.926 1.00 0.00 C ATOM 1258 OE1 GLN A 76 3.572 -11.145 -9.856 1.00 0.00 O ATOM 1259 NE2 GLN A 76 4.263 -12.486 -11.434 1.00 0.00 N ATOM 0 H GLN A 76 -0.504 -8.717 -10.845 1.00 0.00 H new ATOM 0 HA GLN A 76 1.447 -9.679 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.320 -9.871 -12.986 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.000 -9.671 -12.526 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.209 -11.646 -11.049 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.998 -12.103 -12.546 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.092 -12.938 -12.332 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.134 -12.661 -10.933 1.00 0.00 H new ATOM 1268 N GLN A 77 2.309 -6.868 -10.287 1.00 0.00 N ATOM 1269 CA GLN A 77 3.324 -5.812 -10.009 1.00 0.00 C ATOM 1270 C GLN A 77 3.797 -5.935 -8.560 1.00 0.00 C ATOM 1271 O GLN A 77 3.210 -5.372 -7.657 1.00 0.00 O ATOM 1272 CB GLN A 77 2.699 -4.432 -10.222 1.00 0.00 C ATOM 1273 CG GLN A 77 3.271 -3.801 -11.494 1.00 0.00 C ATOM 1274 CD GLN A 77 2.125 -3.410 -12.428 1.00 0.00 C ATOM 1275 OE1 GLN A 77 1.943 -4.010 -13.468 1.00 0.00 O ATOM 1276 NE2 GLN A 77 1.340 -2.422 -12.099 1.00 0.00 N ATOM 0 H GLN A 77 1.342 -6.600 -10.102 1.00 0.00 H new ATOM 0 HA GLN A 77 4.171 -5.935 -10.684 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.616 -4.521 -10.303 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.903 -3.793 -9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.865 -2.922 -11.242 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.938 -4.504 -11.993 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.493 -1.918 -11.225 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.573 -2.153 -12.715 1.00 0.00 H new ATOM 1285 N ASP A 78 4.851 -6.666 -8.329 1.00 0.00 N ATOM 1286 CA ASP A 78 5.357 -6.822 -6.937 1.00 0.00 C ATOM 1287 C ASP A 78 5.702 -5.446 -6.363 1.00 0.00 C ATOM 1288 O ASP A 78 6.028 -4.526 -7.085 1.00 0.00 O ATOM 1289 CB ASP A 78 6.609 -7.702 -6.947 1.00 0.00 C ATOM 1290 CG ASP A 78 6.871 -8.232 -5.537 1.00 0.00 C ATOM 1291 OD1 ASP A 78 7.248 -7.441 -4.689 1.00 0.00 O ATOM 1292 OD2 ASP A 78 6.690 -9.421 -5.330 1.00 0.00 O ATOM 0 H ASP A 78 5.384 -7.162 -9.043 1.00 0.00 H new ATOM 0 HA ASP A 78 4.590 -7.290 -6.320 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.477 -8.533 -7.641 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.467 -7.128 -7.297 1.00 0.00 H new ATOM 1297 N HIS A 79 5.633 -5.297 -5.069 1.00 0.00 N ATOM 1298 CA HIS A 79 5.957 -3.979 -4.455 1.00 0.00 C ATOM 1299 C HIS A 79 6.696 -4.196 -3.132 1.00 0.00 C ATOM 1300 O HIS A 79 6.101 -4.529 -2.127 1.00 0.00 O ATOM 1301 CB HIS A 79 4.662 -3.206 -4.194 1.00 0.00 C ATOM 1302 CG HIS A 79 4.223 -2.520 -5.458 1.00 0.00 C ATOM 1303 ND1 HIS A 79 3.301 -2.863 -6.415 1.00 0.00 N flip ATOM 1304 CD2 HIS A 79 4.758 -1.308 -5.864 1.00 0.00 C flip ATOM 1305 CE1 HIS A 79 3.263 -1.882 -7.401 1.00 0.00 C flip ATOM 1306 NE2 HIS A 79 4.160 -0.969 -7.020 1.00 0.00 N flip ATOM 0 H HIS A 79 5.367 -6.030 -4.411 1.00 0.00 H new ATOM 0 HA HIS A 79 6.591 -3.410 -5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.884 -3.886 -3.848 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.818 -2.471 -3.404 1.00 0.00 H new ATOM 0 HD1 HIS A 79 2.730 -3.708 -6.405 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.517 -0.739 -5.347 1.00 0.00 H new ATOM 0 HE1 HIS A 79 2.642 -1.863 -8.284 1.00 0.00 H new ATOM 1314 N PHE A 80 7.988 -4.010 -3.124 1.00 0.00 N ATOM 1315 CA PHE A 80 8.762 -4.206 -1.864 1.00 0.00 C ATOM 1316 C PHE A 80 8.933 -2.859 -1.157 1.00 0.00 C ATOM 1317 O PHE A 80 9.546 -1.945 -1.680 1.00 0.00 O ATOM 1318 CB PHE A 80 10.140 -4.783 -2.194 1.00 0.00 C ATOM 1319 CG PHE A 80 9.997 -5.879 -3.224 1.00 0.00 C ATOM 1320 CD1 PHE A 80 9.801 -7.205 -2.815 1.00 0.00 C ATOM 1321 CD2 PHE A 80 10.062 -5.569 -4.589 1.00 0.00 C ATOM 1322 CE1 PHE A 80 9.669 -8.221 -3.771 1.00 0.00 C ATOM 1323 CE2 PHE A 80 9.929 -6.584 -5.545 1.00 0.00 C ATOM 1324 CZ PHE A 80 9.734 -7.910 -5.136 1.00 0.00 C ATOM 0 H PHE A 80 8.541 -3.731 -3.934 1.00 0.00 H new ATOM 0 HA PHE A 80 8.225 -4.896 -1.213 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.793 -3.997 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.606 -5.177 -1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.752 -7.444 -1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.215 -4.547 -4.904 1.00 0.00 H new ATOM 0 HE1 PHE A 80 9.517 -9.243 -3.456 1.00 0.00 H new ATOM 0 HE2 PHE A 80 9.977 -6.345 -6.597 1.00 0.00 H new ATOM 0 HZ PHE A 80 9.634 -8.693 -5.873 1.00 0.00 H new ATOM 1334 N PHE A 81 8.402 -2.724 0.030 1.00 0.00 N ATOM 1335 CA PHE A 81 8.548 -1.428 0.757 1.00 0.00 C ATOM 1336 C PHE A 81 9.013 -1.702 2.189 1.00 0.00 C ATOM 1337 O PHE A 81 9.053 -2.833 2.624 1.00 0.00 O ATOM 1338 CB PHE A 81 7.202 -0.661 0.707 1.00 0.00 C ATOM 1339 CG PHE A 81 6.416 -0.718 2.010 1.00 0.00 C ATOM 1340 CD1 PHE A 81 6.393 -1.872 2.807 1.00 0.00 C ATOM 1341 CD2 PHE A 81 5.680 0.407 2.400 1.00 0.00 C ATOM 1342 CE1 PHE A 81 5.641 -1.894 3.991 1.00 0.00 C ATOM 1343 CE2 PHE A 81 4.932 0.387 3.582 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.911 -0.762 4.377 1.00 0.00 C ATOM 0 H PHE A 81 7.879 -3.447 0.524 1.00 0.00 H new ATOM 0 HA PHE A 81 9.302 -0.800 0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.397 0.382 0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.589 -1.072 -0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.955 -2.745 2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.690 1.295 1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.625 -2.783 4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.370 1.260 3.880 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.332 -0.778 5.289 1.00 0.00 H new ATOM 1354 N GLN A 82 9.363 -0.686 2.926 1.00 0.00 N ATOM 1355 CA GLN A 82 9.820 -0.912 4.325 1.00 0.00 C ATOM 1356 C GLN A 82 9.233 0.172 5.226 1.00 0.00 C ATOM 1357 O GLN A 82 9.314 1.350 4.933 1.00 0.00 O ATOM 1358 CB GLN A 82 11.348 -0.857 4.382 1.00 0.00 C ATOM 1359 CG GLN A 82 11.804 -0.818 5.842 1.00 0.00 C ATOM 1360 CD GLN A 82 12.629 0.446 6.088 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.652 0.702 5.319 1.00 0.00 O flip ATOM 1362 NE2 GLN A 82 12.341 1.209 6.989 1.00 0.00 N flip ATOM 0 H GLN A 82 9.353 0.288 2.622 1.00 0.00 H new ATOM 0 HA GLN A 82 9.485 -1.892 4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.773 -1.727 3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.711 0.024 3.853 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.939 -0.834 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.398 -1.703 6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.542 1.009 7.590 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.899 2.049 7.144 1.00 0.00 H new ATOM 1371 N ALA A 83 8.636 -0.217 6.318 1.00 0.00 N ATOM 1372 CA ALA A 83 8.037 0.787 7.236 1.00 0.00 C ATOM 1373 C ALA A 83 9.082 1.227 8.262 1.00 0.00 C ATOM 1374 O ALA A 83 10.104 0.592 8.438 1.00 0.00 O ATOM 1375 CB ALA A 83 6.841 0.165 7.960 1.00 0.00 C ATOM 0 H ALA A 83 8.538 -1.188 6.613 1.00 0.00 H new ATOM 0 HA ALA A 83 7.705 1.652 6.662 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.401 0.900 8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.096 -0.149 7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.173 -0.700 8.534 1.00 0.00 H new ATOM 1381 N ALA A 84 8.832 2.310 8.941 1.00 0.00 N ATOM 1382 CA ALA A 84 9.803 2.799 9.957 1.00 0.00 C ATOM 1383 C ALA A 84 9.365 2.330 11.337 1.00 0.00 C ATOM 1384 O ALA A 84 9.214 3.122 12.245 1.00 0.00 O ATOM 1385 CB ALA A 84 9.826 4.324 9.947 1.00 0.00 C ATOM 0 H ALA A 84 7.993 2.880 8.835 1.00 0.00 H new ATOM 0 HA ALA A 84 10.794 2.410 9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.537 4.682 10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.125 4.677 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.832 4.704 10.183 1.00 0.00 H new ATOM 1391 N PHE A 85 9.143 1.058 11.507 1.00 0.00 N ATOM 1392 CA PHE A 85 8.700 0.572 12.839 1.00 0.00 C ATOM 1393 C PHE A 85 8.175 -0.858 12.723 1.00 0.00 C ATOM 1394 O PHE A 85 7.850 -1.329 11.651 1.00 0.00 O ATOM 1395 CB PHE A 85 7.573 1.476 13.334 1.00 0.00 C ATOM 1396 CG PHE A 85 8.008 2.243 14.559 1.00 0.00 C ATOM 1397 CD1 PHE A 85 9.353 2.595 14.734 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.056 2.613 15.518 1.00 0.00 C ATOM 1399 CE1 PHE A 85 9.745 3.316 15.867 1.00 0.00 C ATOM 1400 CE2 PHE A 85 7.449 3.335 16.651 1.00 0.00 C ATOM 1401 CZ PHE A 85 8.792 3.686 16.825 1.00 0.00 C ATOM 0 H PHE A 85 9.248 0.341 10.789 1.00 0.00 H new ATOM 0 HA PHE A 85 9.540 0.590 13.534 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.284 2.172 12.546 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.694 0.876 13.567 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.087 2.310 13.995 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.019 2.341 15.383 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.782 3.587 16.003 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.716 3.621 17.391 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.095 4.243 17.699 1.00 0.00 H new ATOM 1411 N LEU A 86 8.071 -1.541 13.826 1.00 0.00 N ATOM 1412 CA LEU A 86 7.544 -2.932 13.798 1.00 0.00 C ATOM 1413 C LEU A 86 6.024 -2.864 13.934 1.00 0.00 C ATOM 1414 O LEU A 86 5.289 -3.440 13.157 1.00 0.00 O ATOM 1415 CB LEU A 86 8.150 -3.735 14.964 1.00 0.00 C ATOM 1416 CG LEU A 86 7.146 -4.779 15.476 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.892 -6.017 15.968 1.00 0.00 C ATOM 1418 CD2 LEU A 86 6.335 -4.185 16.629 1.00 0.00 C ATOM 0 H LEU A 86 8.329 -1.195 14.750 1.00 0.00 H new ATOM 0 HA LEU A 86 7.811 -3.427 12.864 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.064 -4.231 14.636 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.426 -3.060 15.774 1.00 0.00 H new ATOM 0 HG LEU A 86 6.476 -5.060 14.663 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.175 -6.754 16.330 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.469 -6.444 15.148 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.566 -5.738 16.778 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.623 -4.926 16.992 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.008 -3.901 17.438 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.796 -3.305 16.279 1.00 0.00 H new ATOM 1430 N GLU A 87 5.550 -2.158 14.921 1.00 0.00 N ATOM 1431 CA GLU A 87 4.083 -2.043 15.114 1.00 0.00 C ATOM 1432 C GLU A 87 3.488 -1.294 13.923 1.00 0.00 C ATOM 1433 O GLU A 87 2.351 -1.499 13.546 1.00 0.00 O ATOM 1434 CB GLU A 87 3.799 -1.268 16.402 1.00 0.00 C ATOM 1435 CG GLU A 87 2.558 -1.849 17.085 1.00 0.00 C ATOM 1436 CD GLU A 87 2.899 -2.224 18.528 1.00 0.00 C ATOM 1437 OE1 GLU A 87 2.797 -1.362 19.384 1.00 0.00 O ATOM 1438 OE2 GLU A 87 3.256 -3.369 18.752 1.00 0.00 O ATOM 0 H GLU A 87 6.118 -1.655 15.603 1.00 0.00 H new ATOM 0 HA GLU A 87 3.637 -3.035 15.187 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.657 -1.328 17.072 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.643 -0.213 16.177 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.747 -1.121 17.069 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.209 -2.728 16.542 1.00 0.00 H new ATOM 1445 N GLU A 88 4.258 -0.425 13.326 1.00 0.00 N ATOM 1446 CA GLU A 88 3.754 0.344 12.158 1.00 0.00 C ATOM 1447 C GLU A 88 3.829 -0.529 10.903 1.00 0.00 C ATOM 1448 O GLU A 88 2.914 -0.561 10.105 1.00 0.00 O ATOM 1449 CB GLU A 88 4.615 1.595 11.965 1.00 0.00 C ATOM 1450 CG GLU A 88 3.994 2.482 10.884 1.00 0.00 C ATOM 1451 CD GLU A 88 4.380 3.940 11.138 1.00 0.00 C ATOM 1452 OE1 GLU A 88 5.277 4.165 11.933 1.00 0.00 O ATOM 1453 OE2 GLU A 88 3.771 4.807 10.532 1.00 0.00 O ATOM 0 H GLU A 88 5.218 -0.216 13.600 1.00 0.00 H new ATOM 0 HA GLU A 88 2.719 0.639 12.332 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.690 2.145 12.903 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.628 1.311 11.680 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.340 2.169 9.899 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.909 2.375 10.890 1.00 0.00 H new ATOM 1460 N ARG A 89 4.910 -1.240 10.723 1.00 0.00 N ATOM 1461 CA ARG A 89 5.031 -2.110 9.518 1.00 0.00 C ATOM 1462 C ARG A 89 3.826 -3.049 9.448 1.00 0.00 C ATOM 1463 O ARG A 89 3.114 -3.087 8.464 1.00 0.00 O ATOM 1464 CB ARG A 89 6.312 -2.939 9.603 1.00 0.00 C ATOM 1465 CG ARG A 89 6.351 -3.928 8.436 1.00 0.00 C ATOM 1466 CD ARG A 89 6.481 -5.354 8.974 1.00 0.00 C ATOM 1467 NE ARG A 89 7.306 -6.162 8.033 1.00 0.00 N ATOM 1468 CZ ARG A 89 7.535 -7.422 8.281 1.00 0.00 C ATOM 1469 NH1 ARG A 89 6.700 -8.106 9.013 1.00 0.00 N ATOM 1470 NH2 ARG A 89 8.601 -7.999 7.795 1.00 0.00 N ATOM 0 H ARG A 89 5.711 -1.256 11.355 1.00 0.00 H new ATOM 0 HA ARG A 89 5.065 -1.485 8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.184 -2.286 9.571 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.350 -3.475 10.551 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.444 -3.836 7.838 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.191 -3.698 7.780 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.942 -5.342 9.962 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.494 -5.803 9.088 1.00 0.00 H new ATOM 0 HE ARG A 89 7.692 -5.730 7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.867 -7.656 9.392 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.880 -9.091 9.206 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.254 -7.464 7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.781 -8.984 7.989 1.00 0.00 H new ATOM 1484 N ASP A 90 3.588 -3.808 10.486 1.00 0.00 N ATOM 1485 CA ASP A 90 2.424 -4.738 10.475 1.00 0.00 C ATOM 1486 C ASP A 90 1.136 -3.917 10.444 1.00 0.00 C ATOM 1487 O ASP A 90 0.118 -4.366 9.963 1.00 0.00 O ATOM 1488 CB ASP A 90 2.451 -5.610 11.731 1.00 0.00 C ATOM 1489 CG ASP A 90 3.468 -6.738 11.544 1.00 0.00 C ATOM 1490 OD1 ASP A 90 4.531 -6.469 11.009 1.00 0.00 O ATOM 1491 OD2 ASP A 90 3.167 -7.851 11.940 1.00 0.00 O ATOM 0 H ASP A 90 4.149 -3.823 11.338 1.00 0.00 H new ATOM 0 HA ASP A 90 2.472 -5.381 9.596 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.715 -5.007 12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.461 -6.025 11.920 1.00 0.00 H new ATOM 1496 N ALA A 91 1.173 -2.709 10.935 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.054 -1.868 10.896 1.00 0.00 C ATOM 1498 C ALA A 91 -0.318 -1.511 9.435 1.00 0.00 C ATOM 1499 O ALA A 91 -1.434 -1.240 9.034 1.00 0.00 O ATOM 1500 CB ALA A 91 0.165 -0.592 11.712 1.00 0.00 C ATOM 0 H ALA A 91 1.992 -2.272 11.358 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.903 -2.404 11.320 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.737 0.020 11.680 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.388 -0.855 12.746 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.000 -0.030 11.292 1.00 0.00 H new ATOM 1506 N TRP A 92 0.715 -1.526 8.640 1.00 0.00 N ATOM 1507 CA TRP A 92 0.573 -1.211 7.199 1.00 0.00 C ATOM 1508 C TRP A 92 0.123 -2.473 6.462 1.00 0.00 C ATOM 1509 O TRP A 92 -0.576 -2.413 5.471 1.00 0.00 O ATOM 1510 CB TRP A 92 1.936 -0.783 6.663 1.00 0.00 C ATOM 1511 CG TRP A 92 2.060 0.704 6.700 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.490 1.420 7.763 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.770 1.668 5.646 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.484 2.761 7.430 1.00 0.00 N ATOM 1515 CE2 TRP A 92 2.047 2.965 6.139 1.00 0.00 C ATOM 1516 CE3 TRP A 92 1.299 1.543 4.326 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 1.863 4.098 5.349 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 1.112 2.684 3.527 1.00 0.00 C ATOM 1519 CH2 TRP A 92 1.394 3.960 4.040 1.00 0.00 C ATOM 0 H TRP A 92 1.665 -1.747 8.937 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.157 -0.415 7.053 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.728 -1.236 7.259 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.062 -1.141 5.641 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.789 1.011 8.717 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.768 3.509 8.063 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.080 0.565 3.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 2.082 5.078 5.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.750 2.579 2.515 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.249 4.835 3.423 1.00 0.00 H new ATOM 1530 N VAL A 93 0.534 -3.617 6.939 1.00 0.00 N ATOM 1531 CA VAL A 93 0.145 -4.891 6.274 1.00 0.00 C ATOM 1532 C VAL A 93 -1.282 -5.264 6.685 1.00 0.00 C ATOM 1533 O VAL A 93 -1.968 -5.988 5.993 1.00 0.00 O ATOM 1534 CB VAL A 93 1.124 -6.000 6.692 1.00 0.00 C ATOM 1535 CG1 VAL A 93 2.538 -5.426 6.780 1.00 0.00 C ATOM 1536 CG2 VAL A 93 0.727 -6.571 8.057 1.00 0.00 C ATOM 0 H VAL A 93 1.125 -3.723 7.764 1.00 0.00 H new ATOM 0 HA VAL A 93 0.182 -4.771 5.191 1.00 0.00 H new ATOM 0 HB VAL A 93 1.092 -6.796 5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.232 -6.212 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.831 -5.031 5.808 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.560 -4.625 7.519 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.428 -7.355 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.748 -5.777 8.804 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.279 -6.987 7.999 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.730 -4.773 7.807 1.00 0.00 N ATOM 1547 CA ARG A 94 -3.109 -5.098 8.268 1.00 0.00 C ATOM 1548 C ARG A 94 -4.100 -4.114 7.649 1.00 0.00 C ATOM 1549 O ARG A 94 -5.222 -4.461 7.348 1.00 0.00 O ATOM 1550 CB ARG A 94 -3.177 -4.994 9.794 1.00 0.00 C ATOM 1551 CG ARG A 94 -2.192 -5.983 10.422 1.00 0.00 C ATOM 1552 CD ARG A 94 -2.835 -7.369 10.498 1.00 0.00 C ATOM 1553 NE ARG A 94 -2.138 -8.292 9.559 1.00 0.00 N ATOM 1554 CZ ARG A 94 -2.650 -9.463 9.294 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -3.302 -10.115 10.219 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -2.512 -9.982 8.105 1.00 0.00 N ATOM 0 H ARG A 94 -1.200 -4.160 8.426 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.362 -6.113 7.960 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.939 -3.978 10.110 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -4.189 -5.206 10.138 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.278 -6.027 9.830 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.910 -5.647 11.420 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.774 -7.754 11.516 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.893 -7.305 10.244 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.260 -8.009 9.123 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.411 -9.709 11.148 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.702 -11.030 10.012 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.004 -9.473 7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.912 -10.897 7.898 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.699 -2.886 7.459 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.630 -1.888 6.864 1.00 0.00 C ATOM 1572 C ASP A 95 -4.619 -2.018 5.338 1.00 0.00 C ATOM 1573 O ASP A 95 -5.649 -1.951 4.697 1.00 0.00 O ATOM 1574 CB ASP A 95 -4.192 -0.477 7.262 1.00 0.00 C ATOM 1575 CG ASP A 95 -5.428 0.365 7.588 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -6.456 0.137 6.970 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -5.327 1.223 8.448 1.00 0.00 O ATOM 0 H ASP A 95 -2.770 -2.533 7.689 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.639 -2.071 7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.529 -0.520 8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -3.628 -0.017 6.451 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.469 -2.202 4.750 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.409 -2.336 3.266 1.00 0.00 C ATOM 1584 C ILE A 96 -3.970 -3.702 2.858 1.00 0.00 C ATOM 1585 O ILE A 96 -4.610 -3.838 1.834 1.00 0.00 O ATOM 1586 CB ILE A 96 -1.960 -2.207 2.785 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.503 -0.748 2.937 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -1.880 -2.626 1.315 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.277 -0.470 2.051 1.00 0.00 C ATOM 0 H ILE A 96 -2.571 -2.265 5.230 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.003 -1.545 2.809 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.312 -2.850 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.316 -0.076 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.259 -0.544 3.980 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.851 -2.536 0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.209 -3.660 1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.523 -1.980 0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.032 0.568 2.172 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.541 -1.128 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.533 -0.653 1.007 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.745 -4.714 3.653 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.276 -6.064 3.307 1.00 0.00 C ATOM 1603 C ASN A 97 -5.746 -6.149 3.726 1.00 0.00 C ATOM 1604 O ASN A 97 -6.545 -6.810 3.094 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.474 -7.138 4.044 1.00 0.00 C ATOM 1606 CG ASN A 97 -4.009 -8.527 3.680 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.760 -8.674 2.621 1.00 0.00 O flip ATOM 1608 ND2 ASN A 97 -3.740 -9.491 4.369 1.00 0.00 N flip ATOM 0 H ASN A 97 -3.218 -4.664 4.525 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.189 -6.225 2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.419 -7.063 3.779 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.544 -6.982 5.121 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.154 -9.379 5.196 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.100 -10.412 4.120 1.00 0.00 H new ATOM 1615 N LYS A 98 -6.108 -5.479 4.787 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.525 -5.517 5.243 1.00 0.00 C ATOM 1617 C LYS A 98 -8.399 -4.784 4.227 1.00 0.00 C ATOM 1618 O LYS A 98 -9.491 -5.210 3.910 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.641 -4.830 6.604 1.00 0.00 C ATOM 1620 CG LYS A 98 -9.115 -4.724 7.000 1.00 0.00 C ATOM 1621 CD LYS A 98 -9.377 -5.607 8.222 1.00 0.00 C ATOM 1622 CE LYS A 98 -10.772 -6.225 8.117 1.00 0.00 C ATOM 1623 NZ LYS A 98 -11.055 -7.017 9.348 1.00 0.00 N ATOM 0 H LYS A 98 -5.483 -4.908 5.356 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.854 -6.552 5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.091 -5.396 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.193 -3.837 6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.369 -3.688 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.749 -5.035 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.624 -6.392 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.297 -5.016 9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.521 -5.442 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.833 -6.865 7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.003 -7.438 9.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.347 -7.772 9.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.013 -6.393 10.179 1.00 0.00 H new ATOM 1637 N ALA A 99 -7.924 -3.684 3.712 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.725 -2.924 2.715 1.00 0.00 C ATOM 1639 C ALA A 99 -8.769 -3.705 1.401 1.00 0.00 C ATOM 1640 O ALA A 99 -9.787 -3.775 0.744 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.082 -1.557 2.474 1.00 0.00 C ATOM 0 H ALA A 99 -7.016 -3.279 3.939 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.738 -2.785 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.670 -1.002 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.048 -1.001 3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.069 -1.693 2.096 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.672 -4.296 1.013 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.659 -5.074 -0.257 1.00 0.00 C ATOM 1649 C ILE A 100 -8.544 -6.312 -0.095 1.00 0.00 C ATOM 1650 O ILE A 100 -9.117 -6.806 -1.044 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.221 -5.498 -0.580 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.447 -4.294 -1.119 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.234 -6.606 -1.637 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -3.974 -4.416 -0.723 1.00 0.00 C ATOM 0 H ILE A 100 -6.787 -4.274 1.519 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.041 -4.460 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.742 -5.868 0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.540 -4.244 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.867 -3.370 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.211 -6.905 -1.864 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.787 -7.465 -1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.714 -6.238 -2.544 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.422 -3.558 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.890 -4.445 0.363 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.559 -5.332 -1.143 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.662 -6.814 1.104 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.515 -8.016 1.323 1.00 0.00 C ATOM 1668 C LYS A 101 -10.951 -7.575 1.621 1.00 0.00 C ATOM 1669 O LYS A 101 -11.860 -8.379 1.676 1.00 0.00 O ATOM 1670 CB LYS A 101 -8.972 -8.824 2.504 1.00 0.00 C ATOM 1671 CG LYS A 101 -8.580 -10.223 2.024 1.00 0.00 C ATOM 1672 CD LYS A 101 -8.056 -11.042 3.206 1.00 0.00 C ATOM 1673 CE LYS A 101 -7.890 -12.502 2.780 1.00 0.00 C ATOM 1674 NZ LYS A 101 -6.460 -12.899 2.916 1.00 0.00 N ATOM 0 H LYS A 101 -8.206 -6.445 1.939 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.504 -8.636 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.108 -8.320 2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.726 -8.894 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.441 -10.720 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.816 -10.152 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.101 -10.640 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -8.748 -10.973 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.518 -13.146 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.218 -12.631 1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.346 -13.891 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -5.872 -12.292 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.162 -12.791 3.907 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.159 -6.301 1.810 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.533 -5.801 2.100 1.00 0.00 C ATOM 1690 C CYS A 102 -13.190 -5.334 0.800 1.00 0.00 C ATOM 1691 O CYS A 102 -14.391 -5.409 0.636 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.451 -4.628 3.079 1.00 0.00 C ATOM 1693 SG CYS A 102 -13.522 -3.287 2.504 1.00 0.00 S ATOM 0 H CYS A 102 -10.435 -5.583 1.776 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.127 -6.602 2.540 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -12.756 -4.950 4.075 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -11.422 -4.278 3.158 1.00 0.00 H new ATOM 0 HG CYS A 102 -13.455 -2.291 3.336 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.407 -4.852 -0.127 1.00 0.00 N ATOM 1700 CA ILE A 103 -12.976 -4.380 -1.419 1.00 0.00 C ATOM 1701 C ILE A 103 -13.467 -5.594 -2.215 1.00 0.00 C ATOM 1702 O ILE A 103 -14.406 -5.508 -2.982 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.887 -3.612 -2.194 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.026 -2.115 -1.906 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -12.018 -3.844 -3.704 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.336 -1.597 -2.504 1.00 0.00 C ATOM 0 H ILE A 103 -11.394 -4.765 -0.043 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.819 -3.710 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.912 -3.975 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.010 -1.938 -0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.181 -1.573 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.237 -3.291 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.915 -4.908 -3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.995 -3.499 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.434 -0.531 -2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.333 -1.760 -3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -14.175 -2.131 -2.059 1.00 0.00 H new ATOM 1718 N GLU A 104 -12.843 -6.724 -2.033 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.278 -7.943 -2.772 1.00 0.00 C ATOM 1720 C GLU A 104 -14.626 -8.416 -2.222 1.00 0.00 C ATOM 1721 O GLU A 104 -15.233 -9.332 -2.739 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.237 -9.051 -2.594 1.00 0.00 C ATOM 1723 CG GLU A 104 -10.881 -8.571 -3.114 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.459 -9.428 -4.309 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -11.337 -9.895 -5.017 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -9.266 -9.603 -4.497 1.00 0.00 O ATOM 0 H GLU A 104 -12.051 -6.857 -1.405 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.378 -7.708 -3.832 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.158 -9.324 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.548 -9.946 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.943 -7.523 -3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.133 -8.637 -2.324 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.097 -7.797 -1.175 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.404 -8.205 -0.588 1.00 0.00 C ATOM 1735 C GLY A 105 -17.255 -6.962 -0.327 1.00 0.00 C ATOM 1736 O GLY A 105 -18.279 -7.022 0.324 1.00 0.00 O ATOM 0 H GLY A 105 -14.632 -7.024 -0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -16.925 -8.880 -1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.243 -8.750 0.342 1.00 0.00 H new ATOM 1740 N LEU A 106 -16.837 -5.837 -0.833 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.616 -4.586 -0.620 1.00 0.00 C ATOM 1742 C LEU A 106 -18.465 -4.309 -1.856 1.00 0.00 C ATOM 1743 O LEU A 106 -18.374 -3.266 -2.472 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.659 -3.417 -0.383 1.00 0.00 C ATOM 1745 CG LEU A 106 -16.847 -2.879 1.036 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -16.069 -1.570 1.193 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -18.334 -2.620 1.290 1.00 0.00 C ATOM 0 H LEU A 106 -15.987 -5.729 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.262 -4.701 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.629 -3.743 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.847 -2.627 -1.110 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.477 -3.611 1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -16.203 -1.186 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -15.010 -1.752 1.011 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -16.440 -0.838 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -18.469 -2.236 2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.704 -1.888 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -18.890 -3.551 1.178 1.00 0.00 H new ATOM 1759 N GLU A 107 -19.292 -5.244 -2.216 1.00 0.00 N ATOM 1760 CA GLU A 107 -20.161 -5.057 -3.411 1.00 0.00 C ATOM 1761 C GLU A 107 -21.503 -4.466 -2.975 1.00 0.00 C ATOM 1762 O GLU A 107 -22.529 -5.114 -3.043 1.00 0.00 O ATOM 1763 CB GLU A 107 -20.394 -6.409 -4.089 1.00 0.00 C ATOM 1764 CG GLU A 107 -19.047 -7.037 -4.452 1.00 0.00 C ATOM 1765 CD GLU A 107 -18.886 -8.364 -3.708 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -19.077 -8.372 -2.503 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -18.574 -9.349 -4.356 1.00 0.00 O ATOM 0 H GLU A 107 -19.406 -6.135 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 107 -19.675 -4.379 -4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -20.948 -7.071 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -21.000 -6.278 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -18.989 -7.202 -5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -18.235 -6.359 -4.189 1.00 0.00 H new ATOM 1774 N HIS A 108 -21.506 -3.240 -2.525 1.00 0.00 N ATOM 1775 CA HIS A 108 -22.783 -2.610 -2.083 1.00 0.00 C ATOM 1776 C HIS A 108 -23.869 -2.873 -3.127 1.00 0.00 C ATOM 1777 O HIS A 108 -23.597 -3.336 -4.217 1.00 0.00 O ATOM 1778 CB HIS A 108 -22.581 -1.102 -1.926 1.00 0.00 C ATOM 1779 CG HIS A 108 -21.996 -0.538 -3.192 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -22.786 -0.038 -4.213 1.00 0.00 N ATOM 1781 CD2 HIS A 108 -20.698 -0.388 -3.614 1.00 0.00 C ATOM 1782 CE1 HIS A 108 -21.965 0.387 -5.191 1.00 0.00 C ATOM 1783 NE2 HIS A 108 -20.681 0.196 -4.877 1.00 0.00 N ATOM 0 H HIS A 108 -20.679 -2.648 -2.444 1.00 0.00 H new ATOM 0 HA HIS A 108 -23.087 -3.037 -1.127 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -23.533 -0.618 -1.706 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -21.918 -0.899 -1.085 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -19.823 -0.679 -3.051 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -22.303 0.829 -6.117 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -19.864 0.428 -5.441 1.00 0.00 H new ATOM 1791 N HIS A 109 -25.100 -2.583 -2.802 1.00 0.00 N ATOM 1792 CA HIS A 109 -26.203 -2.819 -3.775 1.00 0.00 C ATOM 1793 C HIS A 109 -27.415 -1.966 -3.391 1.00 0.00 C ATOM 1794 O HIS A 109 -27.676 -1.728 -2.229 1.00 0.00 O ATOM 1795 CB HIS A 109 -26.593 -4.298 -3.751 1.00 0.00 C ATOM 1796 CG HIS A 109 -26.586 -4.843 -5.153 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -25.622 -4.485 -6.081 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -27.420 -5.723 -5.798 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -25.895 -5.140 -7.223 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -26.981 -5.909 -7.106 1.00 0.00 N ATOM 0 H HIS A 109 -25.389 -2.193 -1.905 1.00 0.00 H new ATOM 0 HA HIS A 109 -25.870 -2.545 -4.776 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -25.896 -4.859 -3.128 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -27.582 -4.417 -3.308 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -24.846 -3.841 -5.926 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -28.284 -6.198 -5.358 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -25.308 -5.055 -8.125 1.00 0.00 H new ATOM 1808 N HIS A 110 -28.160 -1.505 -4.360 1.00 0.00 N ATOM 1809 CA HIS A 110 -29.353 -0.670 -4.049 1.00 0.00 C ATOM 1810 C HIS A 110 -30.614 -1.536 -4.116 1.00 0.00 C ATOM 1811 O HIS A 110 -31.653 -1.101 -4.571 1.00 0.00 O ATOM 1812 CB HIS A 110 -29.463 0.466 -5.069 1.00 0.00 C ATOM 1813 CG HIS A 110 -28.137 1.165 -5.187 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -27.051 0.584 -5.823 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -27.708 2.396 -4.760 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -26.029 1.458 -5.759 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -26.377 2.580 -5.122 1.00 0.00 N ATOM 0 H HIS A 110 -27.993 -1.671 -5.352 1.00 0.00 H new ATOM 0 HA HIS A 110 -29.250 -0.251 -3.048 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -29.765 0.070 -6.039 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -30.233 1.173 -4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -28.312 3.114 -4.224 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -25.048 1.275 -6.172 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -25.793 3.396 -4.940 1.00 0.00 H new ATOM 1825 N HIS A 111 -30.531 -2.758 -3.667 1.00 0.00 N ATOM 1826 CA HIS A 111 -31.726 -3.648 -3.709 1.00 0.00 C ATOM 1827 C HIS A 111 -32.072 -4.107 -2.291 1.00 0.00 C ATOM 1828 O HIS A 111 -32.428 -5.247 -2.070 1.00 0.00 O ATOM 1829 CB HIS A 111 -31.421 -4.869 -4.580 1.00 0.00 C ATOM 1830 CG HIS A 111 -32.498 -5.027 -5.618 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -33.815 -4.669 -5.377 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -32.468 -5.505 -6.905 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -34.517 -4.935 -6.495 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -33.744 -5.446 -7.456 1.00 0.00 N ATOM 0 H HIS A 111 -29.689 -3.178 -3.273 1.00 0.00 H new ATOM 0 HA HIS A 111 -32.571 -3.102 -4.130 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -30.451 -4.751 -5.062 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -31.363 -5.765 -3.962 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -31.588 -5.871 -7.412 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -35.577 -4.757 -6.601 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -34.028 -5.732 -8.393 1.00 0.00 H new ATOM 1842 N HIS A 112 -31.971 -3.224 -1.333 1.00 0.00 N ATOM 1843 CA HIS A 112 -32.294 -3.598 0.075 1.00 0.00 C ATOM 1844 C HIS A 112 -31.109 -4.346 0.694 1.00 0.00 C ATOM 1845 O HIS A 112 -30.389 -3.813 1.515 1.00 0.00 O ATOM 1846 CB HIS A 112 -33.538 -4.491 0.104 1.00 0.00 C ATOM 1847 CG HIS A 112 -34.546 -3.981 -0.889 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -34.668 -2.778 -1.538 1.00 0.00 N flip ATOM 1849 CD2 HIS A 112 -35.609 -4.757 -1.326 1.00 0.00 C flip ATOM 1850 CE1 HIS A 112 -35.787 -2.803 -2.366 1.00 0.00 C flip ATOM 1851 NE2 HIS A 112 -36.318 -4.018 -2.200 1.00 0.00 N flip ATOM 0 H HIS A 112 -31.678 -2.256 -1.466 1.00 0.00 H new ATOM 0 HA HIS A 112 -32.490 -2.693 0.649 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -33.266 -5.519 -0.134 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -33.970 -4.499 1.105 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -35.828 -5.770 -1.021 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -36.148 -2.011 -3.005 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -37.158 -4.346 -2.677 1.00 0.00 H new ATOM 1859 N HIS A 113 -30.898 -5.575 0.309 1.00 0.00 N ATOM 1860 CA HIS A 113 -29.759 -6.347 0.881 1.00 0.00 C ATOM 1861 C HIS A 113 -29.187 -7.279 -0.189 1.00 0.00 C ATOM 1862 O HIS A 113 -29.679 -7.242 -1.304 1.00 0.00 O ATOM 1863 CB HIS A 113 -30.253 -7.176 2.068 1.00 0.00 C ATOM 1864 CG HIS A 113 -29.073 -7.697 2.842 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -28.226 -6.860 3.551 1.00 0.00 N ATOM 1866 CD2 HIS A 113 -28.587 -8.967 3.029 1.00 0.00 C ATOM 1867 CE1 HIS A 113 -27.284 -7.629 4.127 1.00 0.00 C ATOM 1868 NE2 HIS A 113 -27.458 -8.922 3.841 1.00 0.00 N ATOM 1869 OXT HIS A 113 -28.266 -8.014 0.126 1.00 0.00 O ATOM 0 H HIS A 113 -31.464 -6.077 -0.375 1.00 0.00 H new ATOM 0 HA HIS A 113 -28.983 -5.658 1.215 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -30.884 -6.566 2.714 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -30.866 -8.006 1.716 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -29.016 -9.865 2.609 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -26.485 -7.247 4.745 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -26.886 -9.708 4.151 1.00 0.00 H new TER 1877 HIS A 113