USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 794 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 74 THR OG1 : rot -62:sc= 0.872 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0.769 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 168:sc= 0.739 (180deg=0) USER MOD Set 2.2: A 63 ASN : amide:sc= 0.93 K(o=1.7,f=-1.8) USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= 1.08 (180deg=0.993) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.801 K(o=0.8,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.668 K(o=0.67,f=-0.89) USER MOD Single : A 16 THR OG1 : rot 83:sc= 0.275 USER MOD Single : A 17 CYS SG : rot 64:sc= 0.135 USER MOD Single : A 20 ASN : amide:sc= -0.051 K(o=-0.051,f=-0.56) USER MOD Single : A 22 SER OG : rot 140:sc= 0.167 USER MOD Single : A 26 ASN : amide:sc= 2.05 K(o=2.1,f=-8.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -47:sc= 0.0123 USER MOD Single : A 39 MET CE :methyl -143:sc= -0.0365 (180deg=-3.49!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.1 K(o=2.1,f=-0.093) USER MOD Single : A 44 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.789) USER MOD Single : A 45 SER OG : rot 59:sc= 0.00379 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -27:sc= 0.0275 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.101) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -170:sc= 0 (180deg=-0.226) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc=0.000741 USER MOD Single : A 107 GLN : amide:sc=-0.00451 K(o=-0.0045,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.142 14.935 -8.555 1.00 0.00 N ATOM 2 CA CYS A 2 -0.701 15.398 -9.860 1.00 0.00 C ATOM 3 C CYS A 2 0.702 14.873 -10.246 1.00 0.00 C ATOM 4 O CYS A 2 1.302 15.318 -11.231 1.00 0.00 O ATOM 5 CB CYS A 2 -0.894 16.943 -9.945 1.00 0.00 C ATOM 6 SG CYS A 2 -0.761 17.908 -8.374 1.00 0.00 S ATOM 0 HA CYS A 2 -1.329 14.962 -10.637 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.156 17.336 -10.645 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.876 17.136 -10.376 1.00 0.00 H new ATOM 11 N GLY A 3 1.238 13.929 -9.462 1.00 0.00 N ATOM 12 CA GLY A 3 2.576 13.332 -9.591 1.00 0.00 C ATOM 13 C GLY A 3 3.665 14.295 -9.108 1.00 0.00 C ATOM 14 O GLY A 3 4.611 13.873 -8.444 1.00 0.00 O ATOM 0 H GLY A 3 0.721 13.538 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.622 12.409 -9.013 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.759 13.066 -10.632 1.00 0.00 H new ATOM 18 N ASP A 4 3.490 15.599 -9.332 1.00 0.00 N ATOM 19 CA ASP A 4 4.338 16.635 -8.740 1.00 0.00 C ATOM 20 C ASP A 4 4.143 16.664 -7.205 1.00 0.00 C ATOM 21 O ASP A 4 5.017 17.161 -6.490 1.00 0.00 O ATOM 22 CB ASP A 4 4.032 18.000 -9.371 1.00 0.00 C ATOM 23 CG ASP A 4 4.678 18.151 -10.758 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.930 18.212 -10.837 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.948 18.239 -11.774 1.00 0.00 O ATOM 0 H ASP A 4 2.752 15.968 -9.932 1.00 0.00 H new ATOM 0 HA ASP A 4 5.383 16.403 -8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.953 18.125 -9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.393 18.792 -8.715 1.00 0.00 H new ATOM 30 N CYS A 5 3.035 16.085 -6.706 1.00 0.00 N ATOM 31 CA CYS A 5 2.716 15.907 -5.291 1.00 0.00 C ATOM 32 C CYS A 5 3.754 15.027 -4.549 1.00 0.00 C ATOM 33 O CYS A 5 3.915 15.154 -3.333 1.00 0.00 O ATOM 34 CB CYS A 5 1.338 15.207 -5.141 1.00 0.00 C ATOM 35 SG CYS A 5 -0.128 16.213 -5.539 1.00 0.00 S ATOM 0 H CYS A 5 2.307 15.713 -7.315 1.00 0.00 H new ATOM 0 HA CYS A 5 2.715 16.905 -4.854 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.331 14.325 -5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.243 14.856 -4.113 1.00 0.00 H new ATOM 40 N VAL A 6 4.433 14.104 -5.248 1.00 0.00 N ATOM 41 CA VAL A 6 5.365 13.128 -4.648 1.00 0.00 C ATOM 42 C VAL A 6 6.827 13.427 -5.028 1.00 0.00 C ATOM 43 O VAL A 6 7.129 13.783 -6.170 1.00 0.00 O ATOM 44 CB VAL A 6 4.961 11.675 -4.995 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.503 11.383 -4.613 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.125 11.257 -6.461 1.00 0.00 C ATOM 0 H VAL A 6 4.351 14.011 -6.260 1.00 0.00 H new ATOM 0 HA VAL A 6 5.294 13.232 -3.565 1.00 0.00 H new ATOM 0 HB VAL A 6 5.671 11.094 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.258 10.353 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.372 11.528 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.842 12.060 -5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.811 10.220 -6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.510 11.898 -7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.171 11.355 -6.753 1.00 0.00 H new ATOM 56 N GLU A 7 7.759 13.276 -4.084 1.00 0.00 N ATOM 57 CA GLU A 7 9.205 13.469 -4.289 1.00 0.00 C ATOM 58 C GLU A 7 9.753 12.420 -5.279 1.00 0.00 C ATOM 59 O GLU A 7 10.558 12.744 -6.158 1.00 0.00 O ATOM 60 CB GLU A 7 9.934 13.408 -2.927 1.00 0.00 C ATOM 61 CG GLU A 7 11.450 13.555 -3.033 1.00 0.00 C ATOM 62 CD GLU A 7 12.147 13.318 -1.683 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.255 14.264 -0.866 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.627 12.178 -1.461 1.00 0.00 O ATOM 0 H GLU A 7 7.527 13.009 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 7 9.384 14.451 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.546 14.196 -2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.703 12.459 -2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.833 12.847 -3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.693 14.554 -3.396 1.00 0.00 H new ATOM 71 N LYS A 8 9.283 11.172 -5.152 1.00 0.00 N ATOM 72 CA LYS A 8 9.610 10.014 -5.990 1.00 0.00 C ATOM 73 C LYS A 8 8.323 9.265 -6.343 1.00 0.00 C ATOM 74 O LYS A 8 7.442 9.114 -5.496 1.00 0.00 O ATOM 75 CB LYS A 8 10.555 9.070 -5.219 1.00 0.00 C ATOM 76 CG LYS A 8 11.859 9.727 -4.733 1.00 0.00 C ATOM 77 CD LYS A 8 12.814 8.677 -4.148 1.00 0.00 C ATOM 78 CE LYS A 8 14.111 9.298 -3.605 1.00 0.00 C ATOM 79 NZ LYS A 8 13.949 9.878 -2.245 1.00 0.00 N ATOM 0 H LYS A 8 8.622 10.930 -4.414 1.00 0.00 H new ATOM 0 HA LYS A 8 10.100 10.353 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.022 8.669 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.806 8.225 -5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.343 10.243 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.633 10.480 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.309 8.139 -3.346 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.060 7.945 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.890 8.536 -3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.449 10.077 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.885 10.081 -1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.400 10.759 -2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.448 9.200 -1.636 1.00 0.00 H new ATOM 93 N GLU A 9 8.222 8.764 -7.572 1.00 0.00 N ATOM 94 CA GLU A 9 7.095 7.935 -8.023 1.00 0.00 C ATOM 95 C GLU A 9 7.317 6.487 -7.557 1.00 0.00 C ATOM 96 O GLU A 9 8.351 5.894 -7.875 1.00 0.00 O ATOM 97 CB GLU A 9 6.998 7.966 -9.562 1.00 0.00 C ATOM 98 CG GLU A 9 6.309 9.226 -10.100 1.00 0.00 C ATOM 99 CD GLU A 9 6.864 9.617 -11.483 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.328 9.144 -12.516 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.842 10.401 -11.550 1.00 0.00 O ATOM 0 H GLU A 9 8.925 8.921 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 9 6.170 8.325 -7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.001 7.900 -9.984 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.451 7.087 -9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.235 9.054 -10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.454 10.050 -9.401 1.00 0.00 H new ATOM 108 N TYR A 10 6.358 5.915 -6.817 1.00 0.00 N ATOM 109 CA TYR A 10 6.415 4.540 -6.283 1.00 0.00 C ATOM 110 C TYR A 10 7.766 4.206 -5.613 1.00 0.00 C ATOM 111 O TYR A 10 8.471 3.285 -6.044 1.00 0.00 O ATOM 112 CB TYR A 10 6.001 3.510 -7.354 1.00 0.00 C ATOM 113 CG TYR A 10 4.640 3.721 -8.002 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.454 4.759 -8.941 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.559 2.878 -7.671 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.193 4.979 -9.518 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.288 3.109 -8.237 1.00 0.00 C ATOM 118 CZ TYR A 10 2.102 4.154 -9.167 1.00 0.00 C ATOM 119 OH TYR A 10 0.872 4.361 -9.714 1.00 0.00 O ATOM 0 H TYR A 10 5.499 6.404 -6.565 1.00 0.00 H new ATOM 0 HA TYR A 10 5.682 4.479 -5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.757 3.510 -8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.013 2.520 -6.899 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.287 5.388 -9.217 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.704 2.057 -6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.057 5.779 -10.230 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.453 2.483 -7.957 1.00 0.00 H new ATOM 0 HH TYR A 10 0.241 3.700 -9.360 1.00 0.00 H new ATOM 129 N PRO A 11 8.153 4.945 -4.554 1.00 0.00 N ATOM 130 CA PRO A 11 9.418 4.732 -3.850 1.00 0.00 C ATOM 131 C PRO A 11 9.468 3.343 -3.203 1.00 0.00 C ATOM 132 O PRO A 11 8.459 2.862 -2.691 1.00 0.00 O ATOM 133 CB PRO A 11 9.459 5.834 -2.784 1.00 0.00 C ATOM 134 CG PRO A 11 7.991 6.140 -2.517 1.00 0.00 C ATOM 135 CD PRO A 11 7.399 6.020 -3.917 1.00 0.00 C ATOM 0 HA PRO A 11 10.273 4.777 -4.525 1.00 0.00 H new ATOM 0 HB2 PRO A 11 9.968 5.497 -1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.992 6.715 -3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.544 5.431 -1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.849 7.135 -2.095 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.335 5.786 -3.877 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.500 6.954 -4.470 1.00 0.00 H new ATOM 143 N ASN A 12 10.625 2.682 -3.168 1.00 0.00 N ATOM 144 CA ASN A 12 10.725 1.397 -2.472 1.00 0.00 C ATOM 145 C ASN A 12 10.793 1.640 -0.955 1.00 0.00 C ATOM 146 O ASN A 12 11.396 2.621 -0.506 1.00 0.00 O ATOM 147 CB ASN A 12 11.934 0.607 -2.997 1.00 0.00 C ATOM 148 CG ASN A 12 11.847 0.281 -4.482 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.722 0.621 -5.266 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.796 -0.371 -4.929 1.00 0.00 N ATOM 0 H ASN A 12 11.489 3.005 -3.603 1.00 0.00 H new ATOM 0 HA ASN A 12 9.840 0.792 -2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.842 1.181 -2.812 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.024 -0.322 -2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.716 -0.589 -5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.061 -0.659 -4.283 1.00 0.00 H new ATOM 157 N ARG A 13 10.175 0.761 -0.150 1.00 0.00 N ATOM 158 CA ARG A 13 10.109 0.907 1.323 1.00 0.00 C ATOM 159 C ARG A 13 10.829 -0.205 2.086 1.00 0.00 C ATOM 160 O ARG A 13 10.416 -0.603 3.175 1.00 0.00 O ATOM 161 CB ARG A 13 8.650 1.099 1.773 1.00 0.00 C ATOM 162 CG ARG A 13 7.882 2.262 1.128 1.00 0.00 C ATOM 163 CD ARG A 13 8.591 3.627 1.117 1.00 0.00 C ATOM 164 NE ARG A 13 9.130 4.003 2.441 1.00 0.00 N ATOM 165 CZ ARG A 13 10.377 4.316 2.749 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.357 4.275 1.888 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.674 4.678 3.963 1.00 0.00 N ATOM 0 H ARG A 13 9.704 -0.075 -0.498 1.00 0.00 H new ATOM 0 HA ARG A 13 10.665 1.808 1.583 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.106 0.177 1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.642 1.242 2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.650 1.989 0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.932 2.375 1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.405 3.603 0.392 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.890 4.393 0.784 1.00 0.00 H new ATOM 0 HE ARG A 13 8.459 4.023 3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.178 3.991 0.925 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.302 4.527 2.178 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.945 4.720 4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.636 4.920 4.202 1.00 0.00 H new ATOM 181 N GLY A 14 11.886 -0.738 1.473 1.00 0.00 N ATOM 182 CA GLY A 14 12.738 -1.815 1.995 1.00 0.00 C ATOM 183 C GLY A 14 12.044 -3.136 2.339 1.00 0.00 C ATOM 184 O GLY A 14 12.682 -3.981 2.966 1.00 0.00 O ATOM 0 H GLY A 14 12.189 -0.417 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.515 -2.021 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.237 -1.449 2.892 1.00 0.00 H new ATOM 188 N ASN A 15 10.781 -3.273 1.902 1.00 0.00 N ATOM 189 CA ASN A 15 9.800 -4.376 1.996 1.00 0.00 C ATOM 190 C ASN A 15 8.465 -4.031 2.713 1.00 0.00 C ATOM 191 O ASN A 15 7.607 -4.902 2.854 1.00 0.00 O ATOM 192 CB ASN A 15 10.396 -5.675 2.583 1.00 0.00 C ATOM 193 CG ASN A 15 10.508 -5.704 4.111 1.00 0.00 C ATOM 194 OD1 ASN A 15 10.455 -4.701 4.811 1.00 0.00 O ATOM 195 ND2 ASN A 15 10.620 -6.870 4.700 1.00 0.00 N ATOM 0 H ASN A 15 10.359 -2.494 1.397 1.00 0.00 H new ATOM 0 HA ASN A 15 9.545 -4.547 0.950 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.781 -6.516 2.263 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.388 -5.826 2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.661 -6.925 5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.666 -7.722 4.141 1.00 0.00 H new ATOM 202 N THR A 16 8.278 -2.800 3.198 1.00 0.00 N ATOM 203 CA THR A 16 7.072 -2.387 3.956 1.00 0.00 C ATOM 204 C THR A 16 5.807 -2.347 3.080 1.00 0.00 C ATOM 205 O THR A 16 5.745 -1.535 2.160 1.00 0.00 O ATOM 206 CB THR A 16 7.303 -1.004 4.596 1.00 0.00 C ATOM 207 OG1 THR A 16 8.436 -1.025 5.442 1.00 0.00 O ATOM 208 CG2 THR A 16 6.130 -0.515 5.442 1.00 0.00 C ATOM 0 H THR A 16 8.959 -2.050 3.080 1.00 0.00 H new ATOM 0 HA THR A 16 6.908 -3.137 4.730 1.00 0.00 H new ATOM 0 HB THR A 16 7.437 -0.327 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.247 -0.902 4.906 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.366 0.464 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.239 -0.439 4.819 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.947 -1.220 6.252 1.00 0.00 H new ATOM 216 N CYS A 17 4.787 -3.176 3.365 1.00 0.00 N ATOM 217 CA CYS A 17 3.523 -3.245 2.618 1.00 0.00 C ATOM 218 C CYS A 17 2.329 -2.992 3.559 1.00 0.00 C ATOM 219 O CYS A 17 2.039 -3.819 4.426 1.00 0.00 O ATOM 220 CB CYS A 17 3.412 -4.624 1.949 1.00 0.00 C ATOM 221 SG CYS A 17 4.788 -4.917 0.803 1.00 0.00 S ATOM 0 H CYS A 17 4.822 -3.834 4.144 1.00 0.00 H new ATOM 0 HA CYS A 17 3.508 -2.473 1.849 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.401 -5.401 2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.467 -4.694 1.410 1.00 0.00 H new ATOM 0 HG CYS A 17 5.905 -4.952 1.466 1.00 0.00 H new ATOM 227 N LEU A 18 1.661 -1.841 3.405 1.00 0.00 N ATOM 228 CA LEU A 18 0.562 -1.358 4.259 1.00 0.00 C ATOM 229 C LEU A 18 -0.749 -1.098 3.499 1.00 0.00 C ATOM 230 O LEU A 18 -0.760 -0.680 2.342 1.00 0.00 O ATOM 231 CB LEU A 18 1.022 -0.051 4.951 1.00 0.00 C ATOM 232 CG LEU A 18 1.723 -0.191 6.316 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.824 -1.246 6.360 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.338 1.154 6.705 1.00 0.00 C ATOM 0 H LEU A 18 1.880 -1.191 2.650 1.00 0.00 H new ATOM 0 HA LEU A 18 0.343 -2.146 4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.699 0.470 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.149 0.588 5.083 1.00 0.00 H new ATOM 0 HG LEU A 18 0.949 -0.513 7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.261 -1.275 7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.402 -2.222 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.597 -0.996 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.836 1.061 7.670 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.064 1.454 5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.553 1.907 6.773 1.00 0.00 H new ATOM 246 N GLU A 19 -1.855 -1.294 4.217 1.00 0.00 N ATOM 247 CA GLU A 19 -3.241 -1.047 3.800 1.00 0.00 C ATOM 248 C GLU A 19 -3.811 0.273 4.366 1.00 0.00 C ATOM 249 O GLU A 19 -4.989 0.569 4.158 1.00 0.00 O ATOM 250 CB GLU A 19 -4.131 -2.230 4.245 1.00 0.00 C ATOM 251 CG GLU A 19 -4.448 -2.357 5.745 1.00 0.00 C ATOM 252 CD GLU A 19 -3.240 -2.784 6.604 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.373 -1.928 6.902 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.160 -3.972 6.998 1.00 0.00 O ATOM 0 H GLU A 19 -1.806 -1.654 5.170 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.240 -0.955 2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.076 -2.161 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.648 -3.153 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.821 -1.400 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.250 -3.083 5.877 1.00 0.00 H new ATOM 261 N ASN A 20 -3.008 1.044 5.111 1.00 0.00 N ATOM 262 CA ASN A 20 -3.407 2.297 5.771 1.00 0.00 C ATOM 263 C ASN A 20 -2.310 3.383 5.726 1.00 0.00 C ATOM 264 O ASN A 20 -1.117 3.080 5.619 1.00 0.00 O ATOM 265 CB ASN A 20 -3.731 1.992 7.252 1.00 0.00 C ATOM 266 CG ASN A 20 -5.040 1.257 7.479 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.088 1.626 6.968 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.038 0.213 8.277 1.00 0.00 N ATOM 0 H ASN A 20 -2.030 0.806 5.277 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.272 2.684 5.233 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.919 1.398 7.672 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.757 2.931 7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.908 -0.285 8.467 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.167 -0.099 8.706 1.00 0.00 H new ATOM 275 N GLY A 21 -2.725 4.647 5.890 1.00 0.00 N ATOM 276 CA GLY A 21 -1.846 5.822 5.983 1.00 0.00 C ATOM 277 C GLY A 21 -1.602 6.587 4.674 1.00 0.00 C ATOM 278 O GLY A 21 -2.188 6.283 3.633 1.00 0.00 O ATOM 0 H GLY A 21 -3.713 4.888 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.272 6.513 6.710 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.882 5.499 6.377 1.00 0.00 H new ATOM 282 N SER A 22 -0.719 7.589 4.764 1.00 0.00 N ATOM 283 CA SER A 22 -0.243 8.479 3.688 1.00 0.00 C ATOM 284 C SER A 22 1.224 8.832 3.969 1.00 0.00 C ATOM 285 O SER A 22 1.543 9.310 5.061 1.00 0.00 O ATOM 286 CB SER A 22 -1.057 9.777 3.634 1.00 0.00 C ATOM 287 OG SER A 22 -2.371 9.545 3.146 1.00 0.00 O ATOM 0 H SER A 22 -0.283 7.819 5.657 1.00 0.00 H new ATOM 0 HA SER A 22 -0.354 7.964 2.734 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.110 10.217 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.551 10.499 2.993 1.00 0.00 H new ATOM 0 HG SER A 22 -3.010 10.084 3.658 1.00 0.00 H new ATOM 293 N PHE A 23 2.133 8.556 3.033 1.00 0.00 N ATOM 294 CA PHE A 23 3.581 8.725 3.224 1.00 0.00 C ATOM 295 C PHE A 23 4.110 10.169 3.165 1.00 0.00 C ATOM 296 O PHE A 23 4.683 10.627 2.175 1.00 0.00 O ATOM 297 CB PHE A 23 4.322 7.771 2.286 1.00 0.00 C ATOM 298 CG PHE A 23 5.809 7.581 2.541 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.346 7.627 3.845 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.663 7.306 1.457 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.723 7.438 4.049 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.044 7.140 1.658 1.00 0.00 C ATOM 303 CZ PHE A 23 8.580 7.245 2.953 1.00 0.00 C ATOM 0 H PHE A 23 1.885 8.204 2.108 1.00 0.00 H new ATOM 0 HA PHE A 23 3.789 8.460 4.261 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.840 6.795 2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.195 8.131 1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.697 7.808 4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.253 7.222 0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.124 7.441 5.052 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.692 6.932 0.819 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.647 7.178 3.105 1.00 0.00 H new ATOM 313 N LEU A 24 3.919 10.903 4.261 1.00 0.00 N ATOM 314 CA LEU A 24 4.303 12.309 4.422 1.00 0.00 C ATOM 315 C LEU A 24 5.774 12.654 4.110 1.00 0.00 C ATOM 316 O LEU A 24 6.071 13.795 3.758 1.00 0.00 O ATOM 317 CB LEU A 24 3.934 12.782 5.838 1.00 0.00 C ATOM 318 CG LEU A 24 2.463 12.590 6.266 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.211 13.338 7.576 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.449 13.077 5.230 1.00 0.00 C ATOM 0 H LEU A 24 3.475 10.521 5.096 1.00 0.00 H new ATOM 0 HA LEU A 24 3.737 12.845 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.568 12.254 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.177 13.841 5.918 1.00 0.00 H new ATOM 0 HG LEU A 24 2.319 11.515 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.173 13.203 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.869 12.946 8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.412 14.400 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.439 12.908 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.596 14.142 5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.588 12.528 4.299 1.00 0.00 H new ATOM 332 N LEU A 25 6.697 11.692 4.215 1.00 0.00 N ATOM 333 CA LEU A 25 8.118 11.879 3.874 1.00 0.00 C ATOM 334 C LEU A 25 8.370 11.933 2.349 1.00 0.00 C ATOM 335 O LEU A 25 9.412 12.433 1.924 1.00 0.00 O ATOM 336 CB LEU A 25 8.970 10.776 4.526 1.00 0.00 C ATOM 337 CG LEU A 25 8.964 10.751 6.069 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.956 9.701 6.574 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.355 12.093 6.695 1.00 0.00 C ATOM 0 H LEU A 25 6.480 10.751 4.542 1.00 0.00 H new ATOM 0 HA LEU A 25 8.415 12.850 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.619 9.810 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.000 10.889 4.187 1.00 0.00 H new ATOM 0 HG LEU A 25 7.941 10.518 6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.948 9.687 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.670 8.719 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.958 9.948 6.222 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.331 12.008 7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.361 12.365 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.652 12.862 6.376 1.00 0.00 H new ATOM 351 N ASN A 26 7.418 11.472 1.527 1.00 0.00 N ATOM 352 CA ASN A 26 7.471 11.527 0.060 1.00 0.00 C ATOM 353 C ASN A 26 6.523 12.615 -0.461 1.00 0.00 C ATOM 354 O ASN A 26 6.823 13.244 -1.470 1.00 0.00 O ATOM 355 CB ASN A 26 7.090 10.148 -0.502 1.00 0.00 C ATOM 356 CG ASN A 26 7.293 10.040 -2.008 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.167 10.650 -2.589 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.525 9.256 -2.715 1.00 0.00 N ATOM 0 H ASN A 26 6.564 11.037 1.875 1.00 0.00 H new ATOM 0 HA ASN A 26 8.479 11.779 -0.268 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.686 9.382 -0.005 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.046 9.942 -0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.670 9.172 -3.721 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.780 8.727 -2.261 1.00 0.00 H new ATOM 365 N PHE A 27 5.396 12.868 0.212 1.00 0.00 N ATOM 366 CA PHE A 27 4.475 13.943 -0.183 1.00 0.00 C ATOM 367 C PHE A 27 5.136 15.322 -0.013 1.00 0.00 C ATOM 368 O PHE A 27 5.262 15.834 1.102 1.00 0.00 O ATOM 369 CB PHE A 27 3.163 13.868 0.602 1.00 0.00 C ATOM 370 CG PHE A 27 2.118 14.900 0.187 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.688 14.988 -1.154 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.548 15.758 1.146 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.677 15.894 -1.532 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.537 16.664 0.772 1.00 0.00 C ATOM 375 CZ PHE A 27 0.091 16.720 -0.560 1.00 0.00 C ATOM 0 H PHE A 27 5.098 12.343 1.034 1.00 0.00 H new ATOM 0 HA PHE A 27 4.239 13.806 -1.238 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.739 12.871 0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.381 13.996 1.662 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.140 14.352 -1.901 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.887 15.721 2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.356 15.952 -2.561 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.102 17.319 1.512 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.703 17.399 -0.836 1.00 0.00 H new ATOM 385 N THR A 28 5.539 15.951 -1.114 1.00 0.00 N ATOM 386 CA THR A 28 6.169 17.290 -1.109 1.00 0.00 C ATOM 387 C THR A 28 5.138 18.420 -1.015 1.00 0.00 C ATOM 388 O THR A 28 5.498 19.592 -0.886 1.00 0.00 O ATOM 389 CB THR A 28 7.043 17.515 -2.355 1.00 0.00 C ATOM 390 OG1 THR A 28 6.298 17.303 -3.530 1.00 0.00 O ATOM 391 CG2 THR A 28 8.228 16.555 -2.386 1.00 0.00 C ATOM 0 H THR A 28 5.442 15.552 -2.048 1.00 0.00 H new ATOM 0 HA THR A 28 6.797 17.315 -0.219 1.00 0.00 H new ATOM 0 HB THR A 28 7.399 18.544 -2.305 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.870 17.452 -4.312 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.824 16.742 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.844 16.709 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.864 15.528 -2.401 1.00 0.00 H new ATOM 399 N GLY A 29 3.855 18.064 -1.076 1.00 0.00 N ATOM 400 CA GLY A 29 2.709 18.961 -1.081 1.00 0.00 C ATOM 401 C GLY A 29 2.155 19.071 -2.503 1.00 0.00 C ATOM 402 O GLY A 29 2.908 18.939 -3.475 1.00 0.00 O ATOM 0 H GLY A 29 3.576 17.084 -1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.938 18.588 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.002 19.945 -0.716 1.00 0.00 H new ATOM 406 N CYS A 30 0.849 19.302 -2.613 1.00 0.00 N ATOM 407 CA CYS A 30 0.117 19.374 -3.868 1.00 0.00 C ATOM 408 C CYS A 30 0.718 20.342 -4.891 1.00 0.00 C ATOM 409 O CYS A 30 1.487 21.255 -4.561 1.00 0.00 O ATOM 410 CB CYS A 30 -1.352 19.727 -3.570 1.00 0.00 C ATOM 411 SG CYS A 30 -2.474 19.289 -4.957 1.00 0.00 S ATOM 0 H CYS A 30 0.253 19.449 -1.799 1.00 0.00 H new ATOM 0 HA CYS A 30 0.187 18.393 -4.337 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.672 19.205 -2.669 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.432 20.795 -3.365 1.00 0.00 H new ATOM 416 N ALA A 31 0.293 20.189 -6.134 1.00 0.00 N ATOM 417 CA ALA A 31 0.614 21.096 -7.227 1.00 0.00 C ATOM 418 C ALA A 31 -0.652 21.692 -7.871 1.00 0.00 C ATOM 419 O ALA A 31 -0.536 22.681 -8.607 1.00 0.00 O ATOM 420 CB ALA A 31 1.569 20.452 -8.233 1.00 0.00 C ATOM 0 H ALA A 31 -0.301 19.410 -6.420 1.00 0.00 H new ATOM 0 HA ALA A 31 1.154 21.945 -6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.785 21.159 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.497 20.178 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.107 19.559 -8.653 1.00 0.00 H new ATOM 426 N VAL A 32 -1.854 21.189 -7.555 1.00 0.00 N ATOM 427 CA VAL A 32 -3.112 21.808 -7.993 1.00 0.00 C ATOM 428 C VAL A 32 -3.371 23.070 -7.152 1.00 0.00 C ATOM 429 O VAL A 32 -3.879 24.063 -7.690 1.00 0.00 O ATOM 430 CB VAL A 32 -4.311 20.825 -7.924 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.692 21.485 -8.082 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.241 19.772 -9.039 1.00 0.00 C ATOM 0 H VAL A 32 -1.981 20.348 -6.993 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.012 22.085 -9.043 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.220 20.395 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.469 20.723 -8.021 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.838 22.217 -7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.748 21.983 -9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.096 19.101 -8.960 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.258 20.268 -10.009 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.319 19.198 -8.940 1.00 0.00 H new ATOM 442 N CYS A 33 -2.998 23.058 -5.864 1.00 0.00 N ATOM 443 CA CYS A 33 -3.197 24.150 -4.904 1.00 0.00 C ATOM 444 C CYS A 33 -1.976 24.550 -4.034 1.00 0.00 C ATOM 445 O CYS A 33 -2.003 25.622 -3.417 1.00 0.00 O ATOM 446 CB CYS A 33 -4.358 23.750 -3.992 1.00 0.00 C ATOM 447 SG CYS A 33 -3.866 22.339 -2.947 1.00 0.00 S ATOM 0 H CYS A 33 -2.530 22.253 -5.447 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.392 25.040 -5.502 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.648 24.594 -3.366 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.228 23.484 -4.592 1.00 0.00 H new ATOM 452 N SER A 34 -0.905 23.740 -3.996 1.00 0.00 N ATOM 453 CA SER A 34 0.352 23.988 -3.245 1.00 0.00 C ATOM 454 C SER A 34 0.329 23.660 -1.726 1.00 0.00 C ATOM 455 O SER A 34 1.184 24.146 -0.977 1.00 0.00 O ATOM 456 CB SER A 34 0.905 25.397 -3.546 1.00 0.00 C ATOM 457 OG SER A 34 2.323 25.437 -3.450 1.00 0.00 O ATOM 0 H SER A 34 -0.883 22.857 -4.506 1.00 0.00 H new ATOM 0 HA SER A 34 1.051 23.245 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.599 25.702 -4.547 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.473 26.114 -2.848 1.00 0.00 H new ATOM 0 HG SER A 34 2.608 24.994 -2.623 1.00 0.00 H new ATOM 463 N LYS A 35 -0.615 22.845 -1.218 1.00 0.00 N ATOM 464 CA LYS A 35 -0.715 22.479 0.220 1.00 0.00 C ATOM 465 C LYS A 35 0.022 21.179 0.586 1.00 0.00 C ATOM 466 O LYS A 35 -0.077 20.183 -0.126 1.00 0.00 O ATOM 467 CB LYS A 35 -2.198 22.343 0.594 1.00 0.00 C ATOM 468 CG LYS A 35 -2.845 23.724 0.816 1.00 0.00 C ATOM 469 CD LYS A 35 -3.370 23.841 2.251 1.00 0.00 C ATOM 470 CE LYS A 35 -3.760 25.269 2.668 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.775 25.888 1.774 1.00 0.00 N ATOM 0 H LYS A 35 -1.339 22.415 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.229 23.276 0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.728 21.813 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.294 21.744 1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.115 24.510 0.623 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.663 23.868 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.239 23.193 2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.607 23.471 2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.147 25.249 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.867 25.893 2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.143 26.755 2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.336 26.123 0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.556 25.219 1.620 1.00 0.00 H new ATOM 485 N ARG A 36 0.701 21.157 1.743 1.00 0.00 N ATOM 486 CA ARG A 36 1.389 19.975 2.322 1.00 0.00 C ATOM 487 C ARG A 36 0.684 19.535 3.617 1.00 0.00 C ATOM 488 O ARG A 36 -0.084 20.310 4.176 1.00 0.00 O ATOM 489 CB ARG A 36 2.887 20.249 2.505 1.00 0.00 C ATOM 490 CG ARG A 36 3.666 18.923 2.600 1.00 0.00 C ATOM 491 CD ARG A 36 5.169 19.119 2.416 1.00 0.00 C ATOM 492 NE ARG A 36 5.916 18.941 3.678 1.00 0.00 N ATOM 493 CZ ARG A 36 6.286 17.792 4.222 1.00 0.00 C ATOM 494 NH1 ARG A 36 6.056 16.645 3.650 1.00 0.00 N ATOM 495 NH2 ARG A 36 6.897 17.771 5.371 1.00 0.00 N ATOM 0 H ARG A 36 0.794 21.987 2.328 1.00 0.00 H new ATOM 0 HA ARG A 36 1.322 19.138 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.261 20.839 1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.048 20.839 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.478 18.463 3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.297 18.232 1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.538 18.410 1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.357 20.118 2.023 1.00 0.00 H new ATOM 0 HE ARG A 36 6.173 19.790 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.575 16.611 2.751 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.357 15.781 4.101 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.094 18.644 5.860 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.178 16.881 5.783 1.00 0.00 H new ATOM 509 N ASP A 37 0.915 18.298 4.075 1.00 0.00 N ATOM 510 CA ASP A 37 0.288 17.666 5.261 1.00 0.00 C ATOM 511 C ASP A 37 -1.257 17.725 5.302 1.00 0.00 C ATOM 512 O ASP A 37 -1.902 17.695 6.352 1.00 0.00 O ATOM 513 CB ASP A 37 0.980 18.089 6.565 1.00 0.00 C ATOM 514 CG ASP A 37 0.853 19.571 6.972 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.129 19.946 7.659 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.800 20.348 6.697 1.00 0.00 O ATOM 0 H ASP A 37 1.575 17.674 3.612 1.00 0.00 H new ATOM 0 HA ASP A 37 0.469 16.597 5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.580 17.479 7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.040 17.850 6.480 1.00 0.00 H new ATOM 521 N PHE A 38 -1.839 17.784 4.108 1.00 0.00 N ATOM 522 CA PHE A 38 -3.261 17.888 3.795 1.00 0.00 C ATOM 523 C PHE A 38 -3.712 16.723 2.908 1.00 0.00 C ATOM 524 O PHE A 38 -3.538 16.746 1.691 1.00 0.00 O ATOM 525 CB PHE A 38 -3.563 19.243 3.131 1.00 0.00 C ATOM 526 CG PHE A 38 -3.927 20.375 4.078 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.102 20.738 5.161 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.130 21.076 3.868 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.453 21.822 5.987 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.479 22.165 4.685 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.635 22.543 5.744 1.00 0.00 C ATOM 0 H PHE A 38 -1.276 17.758 3.258 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.826 17.831 4.725 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.691 19.545 2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.383 19.106 2.426 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.197 20.182 5.358 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.792 20.773 3.070 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.812 22.101 6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.393 22.710 4.500 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.894 23.385 6.369 1.00 0.00 H new ATOM 541 N MET A 39 -4.323 15.711 3.524 1.00 0.00 N ATOM 542 CA MET A 39 -4.857 14.543 2.808 1.00 0.00 C ATOM 543 C MET A 39 -5.925 13.739 3.565 1.00 0.00 C ATOM 544 O MET A 39 -5.928 13.646 4.793 1.00 0.00 O ATOM 545 CB MET A 39 -3.747 13.585 2.330 1.00 0.00 C ATOM 546 CG MET A 39 -2.647 13.308 3.368 1.00 0.00 C ATOM 547 SD MET A 39 -1.021 14.016 2.996 1.00 0.00 S ATOM 548 CE MET A 39 -0.625 13.102 1.477 1.00 0.00 C ATOM 0 H MET A 39 -4.464 15.674 4.534 1.00 0.00 H new ATOM 0 HA MET A 39 -5.355 14.992 1.949 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.203 12.638 2.042 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.286 14.002 1.435 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.978 13.692 4.333 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.537 12.229 3.475 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.440 12.873 1.458 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.196 12.174 1.451 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.881 13.710 0.609 1.00 0.00 H new ATOM 558 N LEU A 40 -6.795 13.130 2.758 1.00 0.00 N ATOM 559 CA LEU A 40 -7.929 12.247 3.045 1.00 0.00 C ATOM 560 C LEU A 40 -7.791 10.962 2.205 1.00 0.00 C ATOM 561 O LEU A 40 -7.032 10.918 1.233 1.00 0.00 O ATOM 562 CB LEU A 40 -9.234 12.988 2.659 1.00 0.00 C ATOM 563 CG LEU A 40 -9.943 13.851 3.721 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.960 13.015 4.503 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.032 14.494 4.750 1.00 0.00 C ATOM 0 H LEU A 40 -6.709 13.263 1.750 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.952 11.983 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.008 13.632 1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.947 12.240 2.312 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.406 14.647 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.450 13.642 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.707 12.615 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.448 12.192 5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.629 15.079 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.492 13.718 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.319 15.148 4.247 1.00 0.00 H new ATOM 577 N ILE A 41 -8.567 9.932 2.546 1.00 0.00 N ATOM 578 CA ILE A 41 -8.655 8.648 1.839 1.00 0.00 C ATOM 579 C ILE A 41 -10.140 8.386 1.576 1.00 0.00 C ATOM 580 O ILE A 41 -10.975 8.562 2.470 1.00 0.00 O ATOM 581 CB ILE A 41 -8.015 7.516 2.681 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.480 7.705 2.755 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.368 6.119 2.120 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.788 6.797 3.780 1.00 0.00 C ATOM 0 H ILE A 41 -9.181 9.969 3.360 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.106 8.678 0.898 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.426 7.576 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.053 7.515 1.770 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.264 8.745 3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.901 5.351 2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.450 5.985 2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.002 6.035 1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.715 6.990 3.771 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.185 7.002 4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.971 5.753 3.524 1.00 0.00 H new ATOM 596 N THR A 42 -10.476 7.960 0.359 1.00 0.00 N ATOM 597 CA THR A 42 -11.860 7.644 -0.034 1.00 0.00 C ATOM 598 C THR A 42 -11.914 6.507 -1.059 1.00 0.00 C ATOM 599 O THR A 42 -10.878 6.076 -1.569 1.00 0.00 O ATOM 600 CB THR A 42 -12.596 8.908 -0.526 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.968 8.761 -0.230 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.496 9.168 -2.032 1.00 0.00 C ATOM 0 H THR A 42 -9.797 7.822 -0.390 1.00 0.00 H new ATOM 0 HA THR A 42 -12.385 7.286 0.852 1.00 0.00 H new ATOM 0 HB THR A 42 -12.118 9.746 -0.020 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.455 9.555 -0.533 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.044 10.077 -2.282 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.449 9.287 -2.312 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.924 8.326 -2.576 1.00 0.00 H new ATOM 610 N ASN A 43 -13.123 6.025 -1.369 1.00 0.00 N ATOM 611 CA ASN A 43 -13.442 4.955 -2.334 1.00 0.00 C ATOM 612 C ASN A 43 -12.768 3.588 -2.053 1.00 0.00 C ATOM 613 O ASN A 43 -12.747 2.699 -2.907 1.00 0.00 O ATOM 614 CB ASN A 43 -13.325 5.515 -3.778 1.00 0.00 C ATOM 615 CG ASN A 43 -12.173 5.010 -4.637 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.362 4.461 -5.716 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.951 5.203 -4.208 1.00 0.00 N ATOM 0 H ASN A 43 -13.964 6.394 -0.925 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.483 4.663 -2.199 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.256 5.295 -4.301 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.245 6.600 -3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.158 4.897 -4.772 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.792 5.660 -3.310 1.00 0.00 H new ATOM 624 N LYS A 44 -12.227 3.429 -0.837 1.00 0.00 N ATOM 625 CA LYS A 44 -11.512 2.249 -0.340 1.00 0.00 C ATOM 626 C LYS A 44 -12.287 0.948 -0.536 1.00 0.00 C ATOM 627 O LYS A 44 -13.322 0.718 0.096 1.00 0.00 O ATOM 628 CB LYS A 44 -11.152 2.467 1.134 1.00 0.00 C ATOM 629 CG LYS A 44 -10.097 1.460 1.622 1.00 0.00 C ATOM 630 CD LYS A 44 -9.521 1.847 2.987 1.00 0.00 C ATOM 631 CE LYS A 44 -8.273 1.009 3.275 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.624 1.427 4.539 1.00 0.00 N ATOM 0 H LYS A 44 -12.281 4.166 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.603 2.136 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.776 3.481 1.270 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.050 2.376 1.744 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.545 0.468 1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.290 1.399 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.270 2.908 2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.266 1.687 3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.546 -0.045 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.567 1.109 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.605 1.224 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.767 2.447 4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.043 0.904 5.334 1.00 0.00 H new ATOM 646 N SER A 45 -11.756 0.104 -1.409 1.00 0.00 N ATOM 647 CA SER A 45 -12.284 -1.214 -1.740 1.00 0.00 C ATOM 648 C SER A 45 -11.424 -2.340 -1.163 1.00 0.00 C ATOM 649 O SER A 45 -10.225 -2.179 -0.923 1.00 0.00 O ATOM 650 CB SER A 45 -12.393 -1.349 -3.263 1.00 0.00 C ATOM 651 OG SER A 45 -13.389 -0.470 -3.770 1.00 0.00 O ATOM 0 H SER A 45 -10.908 0.328 -1.929 1.00 0.00 H new ATOM 0 HA SER A 45 -13.272 -1.307 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.431 -1.123 -3.724 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.639 -2.378 -3.526 1.00 0.00 H new ATOM 0 HG SER A 45 -13.163 0.453 -3.530 1.00 0.00 H new ATOM 657 N LEU A 46 -12.048 -3.503 -0.976 1.00 0.00 N ATOM 658 CA LEU A 46 -11.433 -4.727 -0.464 1.00 0.00 C ATOM 659 C LEU A 46 -11.972 -5.946 -1.226 1.00 0.00 C ATOM 660 O LEU A 46 -13.171 -6.036 -1.510 1.00 0.00 O ATOM 661 CB LEU A 46 -11.638 -4.830 1.060 1.00 0.00 C ATOM 662 CG LEU A 46 -11.202 -6.187 1.668 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.612 -5.982 3.065 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.362 -7.177 1.815 1.00 0.00 C ATOM 0 H LEU A 46 -13.039 -3.623 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.357 -4.699 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.079 -4.030 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.691 -4.665 1.286 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.467 -6.596 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.311 -6.945 3.478 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.743 -5.327 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.361 -5.528 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.993 -8.108 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.123 -6.751 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.796 -7.377 0.835 1.00 0.00 H new ATOM 676 N LYS A 47 -11.070 -6.870 -1.561 1.00 0.00 N ATOM 677 CA LYS A 47 -11.325 -8.108 -2.301 1.00 0.00 C ATOM 678 C LYS A 47 -10.688 -9.302 -1.609 1.00 0.00 C ATOM 679 O LYS A 47 -9.622 -9.167 -1.017 1.00 0.00 O ATOM 680 CB LYS A 47 -10.765 -7.995 -3.725 1.00 0.00 C ATOM 681 CG LYS A 47 -11.678 -8.642 -4.767 1.00 0.00 C ATOM 682 CD LYS A 47 -10.968 -8.788 -6.120 1.00 0.00 C ATOM 683 CE LYS A 47 -11.915 -9.415 -7.148 1.00 0.00 C ATOM 684 NZ LYS A 47 -11.180 -9.851 -8.363 1.00 0.00 N ATOM 0 H LYS A 47 -10.087 -6.769 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.404 -8.258 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.624 -6.943 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.783 -8.467 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.997 -9.623 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.578 -8.039 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.633 -7.812 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.079 -9.408 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.425 -10.269 -6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.684 -8.694 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.854 -10.225 -9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.672 -9.040 -8.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.498 -10.594 -8.108 1.00 0.00 H new ATOM 698 N GLU A 48 -11.311 -10.470 -1.692 1.00 0.00 N ATOM 699 CA GLU A 48 -10.721 -11.699 -1.143 1.00 0.00 C ATOM 700 C GLU A 48 -10.938 -12.887 -2.100 1.00 0.00 C ATOM 701 O GLU A 48 -12.072 -13.307 -2.338 1.00 0.00 O ATOM 702 CB GLU A 48 -11.349 -12.007 0.228 1.00 0.00 C ATOM 703 CG GLU A 48 -11.147 -10.925 1.297 1.00 0.00 C ATOM 704 CD GLU A 48 -11.776 -11.372 2.632 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.128 -12.129 3.395 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.933 -10.983 2.925 1.00 0.00 O ATOM 0 H GLU A 48 -12.222 -10.600 -2.131 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.648 -11.547 -1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.419 -12.166 0.092 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.932 -12.944 0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.083 -10.733 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.600 -9.990 0.968 1.00 0.00 H new ATOM 713 N GLU A 49 -9.847 -13.450 -2.630 1.00 0.00 N ATOM 714 CA GLU A 49 -9.835 -14.658 -3.470 1.00 0.00 C ATOM 715 C GLU A 49 -9.022 -15.812 -2.864 1.00 0.00 C ATOM 716 O GLU A 49 -7.811 -15.694 -2.720 1.00 0.00 O ATOM 717 CB GLU A 49 -9.346 -14.349 -4.893 1.00 0.00 C ATOM 718 CG GLU A 49 -10.317 -13.439 -5.662 1.00 0.00 C ATOM 719 CD GLU A 49 -9.873 -13.212 -7.120 1.00 0.00 C ATOM 720 OE1 GLU A 49 -9.761 -14.194 -7.893 1.00 0.00 O ATOM 721 OE2 GLU A 49 -9.681 -12.036 -7.520 1.00 0.00 O ATOM 0 H GLU A 49 -8.914 -13.065 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.871 -14.992 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.368 -13.871 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.217 -15.283 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.313 -13.883 -5.652 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.391 -12.478 -5.153 1.00 0.00 H new ATOM 728 N ASP A 50 -9.633 -16.972 -2.629 1.00 0.00 N ATOM 729 CA ASP A 50 -8.978 -18.235 -2.207 1.00 0.00 C ATOM 730 C ASP A 50 -7.916 -18.174 -1.069 1.00 0.00 C ATOM 731 O ASP A 50 -7.065 -19.060 -0.945 1.00 0.00 O ATOM 732 CB ASP A 50 -8.409 -18.880 -3.488 1.00 0.00 C ATOM 733 CG ASP A 50 -8.130 -20.389 -3.354 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.006 -21.130 -2.842 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.061 -20.854 -3.819 1.00 0.00 O ATOM 0 H ASP A 50 -10.643 -17.075 -2.728 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.749 -18.833 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.111 -18.721 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.484 -18.372 -3.759 1.00 0.00 H new ATOM 740 N GLY A 51 -7.937 -17.123 -0.249 1.00 0.00 N ATOM 741 CA GLY A 51 -6.984 -16.850 0.847 1.00 0.00 C ATOM 742 C GLY A 51 -6.205 -15.540 0.660 1.00 0.00 C ATOM 743 O GLY A 51 -5.717 -14.966 1.634 1.00 0.00 O ATOM 0 H GLY A 51 -8.651 -16.399 -0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.528 -16.810 1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.278 -17.677 0.920 1.00 0.00 H new ATOM 747 N GLU A 52 -6.119 -15.037 -0.574 1.00 0.00 N ATOM 748 CA GLU A 52 -5.518 -13.746 -0.915 1.00 0.00 C ATOM 749 C GLU A 52 -6.482 -12.626 -0.503 1.00 0.00 C ATOM 750 O GLU A 52 -7.681 -12.704 -0.769 1.00 0.00 O ATOM 751 CB GLU A 52 -5.216 -13.687 -2.430 1.00 0.00 C ATOM 752 CG GLU A 52 -4.662 -12.346 -2.952 1.00 0.00 C ATOM 753 CD GLU A 52 -4.479 -12.309 -4.491 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.896 -13.248 -5.215 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.923 -11.306 -5.003 1.00 0.00 O ATOM 0 H GLU A 52 -6.478 -15.534 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.576 -13.619 -0.381 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.499 -14.472 -2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.133 -13.916 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.337 -11.543 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.702 -12.148 -2.475 1.00 0.00 H new ATOM 762 N GLU A 53 -5.958 -11.565 0.103 1.00 0.00 N ATOM 763 CA GLU A 53 -6.691 -10.366 0.508 1.00 0.00 C ATOM 764 C GLU A 53 -6.122 -9.164 -0.250 1.00 0.00 C ATOM 765 O GLU A 53 -4.912 -8.956 -0.271 1.00 0.00 O ATOM 766 CB GLU A 53 -6.588 -10.139 2.026 1.00 0.00 C ATOM 767 CG GLU A 53 -7.180 -11.283 2.859 1.00 0.00 C ATOM 768 CD GLU A 53 -7.149 -10.956 4.366 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.853 -10.014 4.807 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.427 -11.644 5.129 1.00 0.00 O ATOM 0 H GLU A 53 -4.966 -11.513 0.336 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.746 -10.493 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.540 -10.009 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.100 -9.211 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.208 -11.469 2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.620 -12.199 2.672 1.00 0.00 H new ATOM 777 N ILE A 54 -6.977 -8.360 -0.878 1.00 0.00 N ATOM 778 CA ILE A 54 -6.573 -7.204 -1.674 1.00 0.00 C ATOM 779 C ILE A 54 -7.262 -5.954 -1.135 1.00 0.00 C ATOM 780 O ILE A 54 -8.446 -5.994 -0.807 1.00 0.00 O ATOM 781 CB ILE A 54 -6.905 -7.418 -3.169 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.322 -8.734 -3.744 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.325 -6.234 -3.948 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.309 -9.913 -3.730 1.00 0.00 C ATOM 0 H ILE A 54 -7.987 -8.496 -0.847 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.493 -7.077 -1.596 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.988 -7.488 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.997 -8.558 -4.769 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.436 -9.008 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.543 -6.355 -5.009 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.773 -5.308 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.246 -6.196 -3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.826 -10.796 -4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.616 -10.118 -2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.185 -9.661 -4.328 1.00 0.00 H new ATOM 796 N VAL A 55 -6.536 -4.837 -1.076 1.00 0.00 N ATOM 797 CA VAL A 55 -7.042 -3.534 -0.637 1.00 0.00 C ATOM 798 C VAL A 55 -6.607 -2.473 -1.639 1.00 0.00 C ATOM 799 O VAL A 55 -5.411 -2.239 -1.826 1.00 0.00 O ATOM 800 CB VAL A 55 -6.490 -3.187 0.759 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.069 -1.866 1.267 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.795 -4.289 1.783 1.00 0.00 C ATOM 0 H VAL A 55 -5.551 -4.812 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.130 -3.570 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.409 -3.095 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.662 -1.646 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.804 -1.064 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.154 -1.945 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.389 -4.006 2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.874 -4.421 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.339 -5.224 1.458 1.00 0.00 H new ATOM 812 N THR A 56 -7.567 -1.814 -2.282 1.00 0.00 N ATOM 813 CA THR A 56 -7.308 -0.728 -3.241 1.00 0.00 C ATOM 814 C THR A 56 -7.995 0.579 -2.830 1.00 0.00 C ATOM 815 O THR A 56 -9.166 0.570 -2.447 1.00 0.00 O ATOM 816 CB THR A 56 -7.608 -1.162 -4.685 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.985 -1.405 -4.881 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.864 -2.455 -5.048 1.00 0.00 C ATOM 0 H THR A 56 -8.559 -2.016 -2.155 1.00 0.00 H new ATOM 0 HA THR A 56 -6.240 -0.510 -3.216 1.00 0.00 H new ATOM 0 HB THR A 56 -7.276 -0.340 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.140 -1.677 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.098 -2.733 -6.075 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.790 -2.296 -4.951 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.175 -3.255 -4.375 1.00 0.00 H new ATOM 826 N TYR A 57 -7.298 1.715 -2.897 1.00 0.00 N ATOM 827 CA TYR A 57 -7.853 3.035 -2.563 1.00 0.00 C ATOM 828 C TYR A 57 -7.158 4.199 -3.289 1.00 0.00 C ATOM 829 O TYR A 57 -6.317 4.002 -4.171 1.00 0.00 O ATOM 830 CB TYR A 57 -7.890 3.241 -1.040 1.00 0.00 C ATOM 831 CG TYR A 57 -6.586 3.253 -0.259 1.00 0.00 C ATOM 832 CD1 TYR A 57 -6.094 2.052 0.286 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.940 4.470 0.043 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.992 2.067 1.161 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.834 4.490 0.914 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.368 3.290 1.495 1.00 0.00 C ATOM 837 OH TYR A 57 -3.353 3.311 2.402 1.00 0.00 O ATOM 0 H TYR A 57 -6.321 1.748 -3.188 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.878 3.044 -2.934 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.394 4.188 -0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.517 2.456 -0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.565 1.114 0.031 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.295 5.391 -0.396 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.622 1.142 1.578 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.341 5.424 1.138 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.035 4.231 2.516 1.00 0.00 H new ATOM 847 N ASP A 58 -7.483 5.427 -2.884 1.00 0.00 N ATOM 848 CA ASP A 58 -6.967 6.666 -3.455 1.00 0.00 C ATOM 849 C ASP A 58 -6.734 7.677 -2.313 1.00 0.00 C ATOM 850 O ASP A 58 -7.375 7.603 -1.258 1.00 0.00 O ATOM 851 CB ASP A 58 -8.054 7.269 -4.383 1.00 0.00 C ATOM 852 CG ASP A 58 -8.339 6.533 -5.711 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.621 5.313 -5.716 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.371 7.210 -6.765 1.00 0.00 O ATOM 0 H ASP A 58 -8.138 5.589 -2.120 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.044 6.467 -4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.986 7.323 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.765 8.293 -4.620 1.00 0.00 H new ATOM 859 N HIS A 59 -5.873 8.665 -2.557 1.00 0.00 N ATOM 860 CA HIS A 59 -5.560 9.762 -1.631 1.00 0.00 C ATOM 861 C HIS A 59 -6.090 11.065 -2.238 1.00 0.00 C ATOM 862 O HIS A 59 -6.004 11.258 -3.450 1.00 0.00 O ATOM 863 CB HIS A 59 -4.048 9.876 -1.376 1.00 0.00 C ATOM 864 CG HIS A 59 -3.357 8.631 -0.858 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.975 8.388 0.447 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.776 7.652 -1.625 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.172 7.308 0.453 1.00 0.00 C ATOM 868 NE2 HIS A 59 -2.021 6.821 -0.788 1.00 0.00 N ATOM 0 H HIS A 59 -5.355 8.729 -3.433 1.00 0.00 H new ATOM 0 HA HIS A 59 -6.034 9.563 -0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.566 10.172 -2.308 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.882 10.682 -0.661 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.253 8.932 1.264 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.883 7.541 -2.694 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.712 6.890 1.336 1.00 0.00 H new ATOM 876 N LEU A 60 -6.637 11.964 -1.421 1.00 0.00 N ATOM 877 CA LEU A 60 -7.261 13.218 -1.857 1.00 0.00 C ATOM 878 C LEU A 60 -6.769 14.391 -1.020 1.00 0.00 C ATOM 879 O LEU A 60 -6.743 14.299 0.204 1.00 0.00 O ATOM 880 CB LEU A 60 -8.799 13.157 -1.730 1.00 0.00 C ATOM 881 CG LEU A 60 -9.522 12.298 -2.777 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.564 10.817 -2.405 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.980 12.744 -2.898 1.00 0.00 C ATOM 0 H LEU A 60 -6.660 11.839 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.983 13.357 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.048 12.776 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.190 14.173 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.964 12.428 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.087 10.261 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.547 10.437 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.088 10.695 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.488 12.131 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.477 12.630 -1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.016 13.790 -3.204 1.00 0.00 H new ATOM 895 N CYS A 61 -6.427 15.494 -1.674 1.00 0.00 N ATOM 896 CA CYS A 61 -5.982 16.727 -1.040 1.00 0.00 C ATOM 897 C CYS A 61 -7.064 17.277 -0.095 1.00 0.00 C ATOM 898 O CYS A 61 -8.191 17.546 -0.508 1.00 0.00 O ATOM 899 CB CYS A 61 -5.631 17.685 -2.193 1.00 0.00 C ATOM 900 SG CYS A 61 -4.648 19.113 -1.651 1.00 0.00 S ATOM 0 H CYS A 61 -6.453 15.556 -2.692 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.110 16.578 -0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.078 17.139 -2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.551 18.039 -2.657 1.00 0.00 H new ATOM 905 N LYS A 62 -6.761 17.466 1.194 1.00 0.00 N ATOM 906 CA LYS A 62 -7.721 18.040 2.162 1.00 0.00 C ATOM 907 C LYS A 62 -8.124 19.485 1.779 1.00 0.00 C ATOM 908 O LYS A 62 -9.104 20.008 2.309 1.00 0.00 O ATOM 909 CB LYS A 62 -7.107 17.926 3.577 1.00 0.00 C ATOM 910 CG LYS A 62 -7.733 18.739 4.723 1.00 0.00 C ATOM 911 CD LYS A 62 -9.166 18.324 5.067 1.00 0.00 C ATOM 912 CE LYS A 62 -9.738 19.277 6.125 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.116 18.893 6.530 1.00 0.00 N ATOM 0 H LYS A 62 -5.855 17.230 1.599 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.655 17.479 2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.134 16.875 3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.057 18.210 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.111 18.634 5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.726 19.795 4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.786 18.345 4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.179 17.300 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.089 19.278 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.745 20.294 5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.466 19.561 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.741 18.916 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.106 17.933 6.929 1.00 0.00 H new ATOM 927 N ASN A 63 -7.405 20.125 0.848 1.00 0.00 N ATOM 928 CA ASN A 63 -7.652 21.492 0.405 1.00 0.00 C ATOM 929 C ASN A 63 -8.511 21.551 -0.871 1.00 0.00 C ATOM 930 O ASN A 63 -9.628 22.075 -0.814 1.00 0.00 O ATOM 931 CB ASN A 63 -6.297 22.189 0.238 1.00 0.00 C ATOM 932 CG ASN A 63 -6.471 23.631 -0.183 1.00 0.00 C ATOM 933 OD1 ASN A 63 -6.975 24.456 0.569 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.014 24.006 -1.347 1.00 0.00 N ATOM 0 H ASN A 63 -6.615 19.689 0.373 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.239 22.019 1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.745 22.146 1.177 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.702 21.660 -0.506 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.077 24.984 -1.629 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.594 23.321 -1.975 1.00 0.00 H new ATOM 941 N CYS A 64 -8.028 21.016 -1.998 1.00 0.00 N ATOM 942 CA CYS A 64 -8.730 21.029 -3.285 1.00 0.00 C ATOM 943 C CYS A 64 -9.474 19.717 -3.631 1.00 0.00 C ATOM 944 O CYS A 64 -10.187 19.657 -4.640 1.00 0.00 O ATOM 945 CB CYS A 64 -7.744 21.468 -4.389 1.00 0.00 C ATOM 946 SG CYS A 64 -6.263 20.404 -4.544 1.00 0.00 S ATOM 0 H CYS A 64 -7.120 20.553 -2.041 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.539 21.756 -3.208 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.269 21.481 -5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.423 22.490 -4.188 1.00 0.00 H new ATOM 951 N HIS A 65 -9.346 18.671 -2.801 1.00 0.00 N ATOM 952 CA HIS A 65 -9.939 17.326 -2.981 1.00 0.00 C ATOM 953 C HIS A 65 -9.632 16.650 -4.324 1.00 0.00 C ATOM 954 O HIS A 65 -10.287 15.682 -4.718 1.00 0.00 O ATOM 955 CB HIS A 65 -11.408 17.289 -2.533 1.00 0.00 C ATOM 956 CG HIS A 65 -11.553 17.582 -1.059 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.896 18.801 -0.498 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.305 16.705 -0.034 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.867 18.666 0.843 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.522 17.397 1.146 1.00 0.00 N ATOM 0 H HIS A 65 -8.800 18.738 -1.942 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.410 16.666 -2.294 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.981 18.018 -3.106 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.830 16.308 -2.752 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.999 15.673 -0.129 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.084 19.446 1.558 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.436 17.012 2.087 1.00 0.00 H new ATOM 969 N HIS A 66 -8.577 17.105 -4.989 1.00 0.00 N ATOM 970 CA HIS A 66 -8.001 16.468 -6.164 1.00 0.00 C ATOM 971 C HIS A 66 -7.374 15.133 -5.712 1.00 0.00 C ATOM 972 O HIS A 66 -6.861 15.039 -4.590 1.00 0.00 O ATOM 973 CB HIS A 66 -6.954 17.413 -6.738 1.00 0.00 C ATOM 974 CG HIS A 66 -5.644 16.788 -7.091 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.298 16.208 -8.291 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.506 16.959 -6.356 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.957 16.139 -8.319 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.441 16.637 -7.182 1.00 0.00 N ATOM 0 H HIS A 66 -8.084 17.955 -4.715 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.744 16.263 -6.934 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.365 17.882 -7.632 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.773 18.209 -6.015 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.938 15.891 -9.019 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.447 17.283 -5.327 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.376 15.740 -9.138 1.00 0.00 H new ATOM 986 N VAL A 67 -7.386 14.102 -6.562 1.00 0.00 N ATOM 987 CA VAL A 67 -6.768 12.811 -6.236 1.00 0.00 C ATOM 988 C VAL A 67 -5.244 12.915 -6.359 1.00 0.00 C ATOM 989 O VAL A 67 -4.693 12.930 -7.462 1.00 0.00 O ATOM 990 CB VAL A 67 -7.338 11.675 -7.102 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.666 10.344 -6.765 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.847 11.502 -6.870 1.00 0.00 C ATOM 0 H VAL A 67 -7.819 14.136 -7.485 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.010 12.562 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.147 11.947 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.086 9.556 -7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.594 10.421 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.838 10.105 -5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.221 10.692 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.029 11.264 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.363 12.427 -7.127 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.572 12.976 -5.207 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.112 13.077 -5.069 1.00 0.00 C ATOM 1004 C ILE A 68 -2.406 11.855 -5.673 1.00 0.00 C ATOM 1005 O ILE A 68 -1.414 11.984 -6.395 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.762 13.234 -3.569 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.178 14.662 -3.158 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.274 12.960 -3.248 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.992 14.960 -1.675 1.00 0.00 C ATOM 0 H ILE A 68 -5.048 12.956 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.761 13.950 -5.619 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.304 12.483 -2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.597 15.379 -3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.225 14.814 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.103 13.089 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.022 11.939 -3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.648 13.659 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.307 15.983 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.595 14.268 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.941 14.843 -1.409 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.909 10.657 -5.353 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.317 9.380 -5.745 1.00 0.00 C ATOM 1023 C ALA A 69 -3.306 8.202 -5.615 1.00 0.00 C ATOM 1024 O ALA A 69 -4.359 8.326 -4.981 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.101 9.171 -4.822 1.00 0.00 C ATOM 0 H ALA A 69 -3.760 10.550 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.033 9.407 -6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.615 8.227 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.395 9.990 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.432 9.148 -3.784 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.933 7.039 -6.168 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.662 5.764 -6.074 1.00 0.00 C ATOM 1033 C ARG A 70 -2.792 4.742 -5.344 1.00 0.00 C ATOM 1034 O ARG A 70 -1.591 4.676 -5.606 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.020 5.206 -7.460 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.363 5.699 -7.999 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.311 7.103 -8.607 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.676 7.545 -8.927 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.134 8.156 -10.001 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.378 8.459 -11.019 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.393 8.478 -10.051 1.00 0.00 N ATOM 0 H ARG A 70 -2.078 6.957 -6.717 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.588 5.949 -5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.235 5.479 -8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.038 4.117 -7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.718 4.999 -8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.093 5.691 -7.190 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.846 7.798 -7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.697 7.099 -9.508 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.374 7.349 -8.209 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.386 8.223 -11.006 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.779 8.932 -11.829 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.007 8.257 -9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.766 8.951 -10.874 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.428 3.945 -4.486 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.807 2.933 -3.622 1.00 0.00 C ATOM 1057 C HIS A 71 -3.387 1.539 -3.841 1.00 0.00 C ATOM 1058 O HIS A 71 -4.603 1.356 -3.940 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.080 3.317 -2.159 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.171 2.664 -1.135 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.188 3.360 -0.432 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.140 1.345 -0.745 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.584 2.462 0.357 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.150 1.250 0.213 1.00 0.00 N ATOM 0 H HIS A 71 -4.440 3.987 -4.366 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.744 2.906 -3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.990 4.399 -2.062 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.112 3.060 -1.920 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.764 0.545 -1.114 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.242 2.680 1.017 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.892 0.406 0.724 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.523 0.534 -3.846 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.893 -0.872 -3.928 1.00 0.00 C ATOM 1074 C GLU A 72 -1.988 -1.678 -2.991 1.00 0.00 C ATOM 1075 O GLU A 72 -0.765 -1.566 -3.031 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.788 -1.355 -5.386 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.844 -2.883 -5.499 1.00 0.00 C ATOM 1078 CD GLU A 72 -3.027 -3.324 -6.963 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.187 -3.408 -7.437 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -2.014 -3.592 -7.655 1.00 0.00 O ATOM 0 H GLU A 72 -1.515 0.679 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.926 -1.014 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.599 -0.920 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.855 -0.995 -5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.927 -3.314 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.667 -3.266 -4.895 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.592 -2.527 -2.168 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.914 -3.474 -1.294 1.00 0.00 C ATOM 1089 C TYR A 73 -2.566 -4.834 -1.532 1.00 0.00 C ATOM 1090 O TYR A 73 -3.787 -4.964 -1.460 1.00 0.00 O ATOM 1091 CB TYR A 73 -2.028 -3.040 0.171 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.815 -4.160 1.178 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.560 -4.785 1.343 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.914 -4.610 1.931 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.400 -5.826 2.278 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.755 -5.630 2.885 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.491 -6.227 3.079 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.323 -7.181 4.035 1.00 0.00 O ATOM 0 H TYR A 73 -3.608 -2.576 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.848 -3.521 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.298 -2.253 0.362 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.015 -2.606 0.333 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.282 -4.463 0.749 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.887 -4.169 1.775 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.556 -6.317 2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.601 -5.957 3.470 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.585 -7.773 3.780 1.00 0.00 H new ATOM 1108 N THR A 74 -1.768 -5.851 -1.830 1.00 0.00 N ATOM 1109 CA THR A 74 -2.267 -7.209 -2.071 1.00 0.00 C ATOM 1110 C THR A 74 -1.470 -8.181 -1.195 1.00 0.00 C ATOM 1111 O THR A 74 -0.248 -8.080 -1.062 1.00 0.00 O ATOM 1112 CB THR A 74 -2.235 -7.610 -3.565 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.035 -8.225 -3.970 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.444 -6.440 -4.543 1.00 0.00 C ATOM 0 H THR A 74 -0.755 -5.763 -1.913 1.00 0.00 H new ATOM 0 HA THR A 74 -3.321 -7.248 -1.796 1.00 0.00 H new ATOM 0 HB THR A 74 -3.070 -8.309 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.291 -7.598 -3.853 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.407 -6.811 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.415 -5.981 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.658 -5.699 -4.397 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.162 -9.116 -0.554 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.569 -10.107 0.345 1.00 0.00 C ATOM 1124 C PHE A 75 -2.029 -11.521 -0.053 1.00 0.00 C ATOM 1125 O PHE A 75 -3.225 -11.749 -0.154 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.970 -9.774 1.785 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.758 -10.935 2.726 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.452 -11.240 3.129 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.823 -11.777 3.101 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.203 -12.370 3.909 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.571 -12.925 3.870 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.256 -13.226 4.266 1.00 0.00 C ATOM 0 H PHE A 75 -3.174 -9.211 -0.645 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.482 -10.080 0.269 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.390 -8.919 2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.019 -9.479 1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.365 -10.598 2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.832 -11.540 2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.802 -12.586 4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.385 -13.575 4.156 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.056 -14.116 4.845 1.00 0.00 H new ATOM 1142 N SER A 76 -1.117 -12.474 -0.251 1.00 0.00 N ATOM 1143 CA SER A 76 -1.376 -13.858 -0.703 1.00 0.00 C ATOM 1144 C SER A 76 -0.731 -14.922 0.185 1.00 0.00 C ATOM 1145 O SER A 76 0.383 -14.744 0.654 1.00 0.00 O ATOM 1146 CB SER A 76 -0.829 -14.067 -2.126 1.00 0.00 C ATOM 1147 OG SER A 76 -1.792 -13.761 -3.113 1.00 0.00 O ATOM 0 H SER A 76 -0.124 -12.301 -0.095 1.00 0.00 H new ATOM 0 HA SER A 76 -2.459 -13.976 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.051 -13.441 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.507 -15.102 -2.242 1.00 0.00 H new ATOM 0 HG SER A 76 -1.406 -13.905 -4.002 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.395 -16.058 0.406 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.814 -17.197 1.153 1.00 0.00 C ATOM 1155 C ILE A 77 -0.540 -18.359 0.189 1.00 0.00 C ATOM 1156 O ILE A 77 -1.463 -18.851 -0.466 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.710 -17.627 2.335 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.985 -16.402 3.230 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.046 -18.799 3.087 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.457 -16.700 4.656 1.00 0.00 C ATOM 0 H ILE A 77 -2.347 -16.223 0.078 1.00 0.00 H new ATOM 0 HA ILE A 77 0.132 -16.879 1.591 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.676 -17.991 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.073 -15.808 3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.738 -15.783 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.679 -19.102 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.915 -19.640 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.074 -18.484 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.618 -15.763 5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.390 -17.262 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.699 -17.287 5.175 1.00 0.00 H new ATOM 1172 N MET A 78 0.722 -18.803 0.113 1.00 0.00 N ATOM 1173 CA MET A 78 1.161 -19.934 -0.716 1.00 0.00 C ATOM 1174 C MET A 78 1.784 -21.092 0.081 1.00 0.00 C ATOM 1175 O MET A 78 2.866 -20.936 0.637 1.00 0.00 O ATOM 1176 CB MET A 78 2.088 -19.467 -1.856 1.00 0.00 C ATOM 1177 CG MET A 78 3.249 -18.553 -1.423 1.00 0.00 C ATOM 1178 SD MET A 78 4.672 -18.482 -2.554 1.00 0.00 S ATOM 1179 CE MET A 78 3.859 -18.295 -4.163 1.00 0.00 C ATOM 0 H MET A 78 1.484 -18.375 0.639 1.00 0.00 H new ATOM 0 HA MET A 78 0.252 -20.344 -1.157 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.503 -20.346 -2.349 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.488 -18.939 -2.598 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.861 -17.542 -1.295 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.602 -18.885 -0.447 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.609 -18.097 -4.929 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.323 -19.212 -4.409 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.155 -17.464 -4.121 1.00 0.00 H new ATOM 1189 N ASP A 79 1.145 -22.268 0.062 1.00 0.00 N ATOM 1190 CA ASP A 79 1.562 -23.554 0.663 1.00 0.00 C ATOM 1191 C ASP A 79 1.966 -23.544 2.160 1.00 0.00 C ATOM 1192 O ASP A 79 1.246 -24.084 3.002 1.00 0.00 O ATOM 1193 CB ASP A 79 2.676 -24.149 -0.218 1.00 0.00 C ATOM 1194 CG ASP A 79 2.996 -25.623 0.090 1.00 0.00 C ATOM 1195 OD1 ASP A 79 2.082 -26.390 0.479 1.00 0.00 O ATOM 1196 OD2 ASP A 79 4.162 -26.039 -0.114 1.00 0.00 O ATOM 0 H ASP A 79 0.247 -22.359 -0.413 1.00 0.00 H new ATOM 0 HA ASP A 79 0.668 -24.177 0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.383 -24.062 -1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.582 -23.557 -0.090 1.00 0.00 H new ATOM 1201 N GLU A 80 3.090 -22.911 2.502 1.00 0.00 N ATOM 1202 CA GLU A 80 3.641 -22.761 3.859 1.00 0.00 C ATOM 1203 C GLU A 80 4.137 -21.333 4.128 1.00 0.00 C ATOM 1204 O GLU A 80 4.764 -21.089 5.158 1.00 0.00 O ATOM 1205 CB GLU A 80 4.841 -23.700 4.097 1.00 0.00 C ATOM 1206 CG GLU A 80 4.651 -25.137 3.614 1.00 0.00 C ATOM 1207 CD GLU A 80 5.765 -26.060 4.145 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.908 -26.012 3.626 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.505 -26.856 5.082 1.00 0.00 O ATOM 0 H GLU A 80 3.678 -22.461 1.801 1.00 0.00 H new ATOM 0 HA GLU A 80 2.818 -23.009 4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.715 -23.279 3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.060 -23.719 5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.681 -25.508 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.647 -25.159 2.524 1.00 0.00 H new ATOM 1216 N PHE A 81 3.927 -20.382 3.214 1.00 0.00 N ATOM 1217 CA PHE A 81 4.468 -19.030 3.371 1.00 0.00 C ATOM 1218 C PHE A 81 3.364 -17.993 3.118 1.00 0.00 C ATOM 1219 O PHE A 81 2.285 -18.296 2.601 1.00 0.00 O ATOM 1220 CB PHE A 81 5.579 -18.767 2.329 1.00 0.00 C ATOM 1221 CG PHE A 81 6.398 -19.952 1.845 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.064 -20.829 2.719 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.410 -20.210 0.464 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.775 -21.931 2.204 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.104 -21.314 -0.055 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.798 -22.172 0.816 1.00 0.00 C ATOM 0 H PHE A 81 3.388 -20.523 2.360 1.00 0.00 H new ATOM 0 HA PHE A 81 4.863 -18.947 4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.117 -18.303 1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.268 -18.036 2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.031 -20.658 3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.879 -19.551 -0.206 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.303 -22.592 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.105 -21.503 -1.118 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.348 -23.014 0.422 1.00 0.00 H new ATOM 1236 N GLN A 82 3.681 -16.739 3.410 1.00 0.00 N ATOM 1237 CA GLN A 82 2.825 -15.581 3.178 1.00 0.00 C ATOM 1238 C GLN A 82 3.562 -14.590 2.289 1.00 0.00 C ATOM 1239 O GLN A 82 4.757 -14.395 2.458 1.00 0.00 O ATOM 1240 CB GLN A 82 2.460 -14.884 4.497 1.00 0.00 C ATOM 1241 CG GLN A 82 2.377 -15.757 5.744 1.00 0.00 C ATOM 1242 CD GLN A 82 1.981 -14.955 6.980 1.00 0.00 C ATOM 1243 OE1 GLN A 82 2.803 -14.341 7.645 1.00 0.00 O ATOM 1244 NE2 GLN A 82 0.720 -14.945 7.355 1.00 0.00 N ATOM 0 H GLN A 82 4.576 -16.490 3.831 1.00 0.00 H new ATOM 0 HA GLN A 82 1.907 -15.924 2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.196 -14.101 4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.497 -14.392 4.364 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.651 -16.553 5.581 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.341 -16.235 5.916 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.022 -15.452 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.440 -14.430 8.190 1.00 0.00 H new ATOM 1253 N GLU A 83 2.845 -13.925 1.399 1.00 0.00 N ATOM 1254 CA GLU A 83 3.335 -12.945 0.434 1.00 0.00 C ATOM 1255 C GLU A 83 2.618 -11.619 0.643 1.00 0.00 C ATOM 1256 O GLU A 83 1.392 -11.557 0.671 1.00 0.00 O ATOM 1257 CB GLU A 83 3.048 -13.390 -1.016 1.00 0.00 C ATOM 1258 CG GLU A 83 4.123 -14.282 -1.632 1.00 0.00 C ATOM 1259 CD GLU A 83 3.814 -14.586 -3.114 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.667 -14.976 -3.441 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.719 -14.424 -3.970 1.00 0.00 O ATOM 0 H GLU A 83 1.837 -14.062 1.323 1.00 0.00 H new ATOM 0 HA GLU A 83 4.410 -12.850 0.587 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.097 -13.922 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.931 -12.503 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.094 -13.793 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.189 -15.215 -1.073 1.00 0.00 H new ATOM 1268 N TYR A 84 3.394 -10.552 0.736 1.00 0.00 N ATOM 1269 CA TYR A 84 2.918 -9.188 0.915 1.00 0.00 C ATOM 1270 C TYR A 84 3.425 -8.323 -0.222 1.00 0.00 C ATOM 1271 O TYR A 84 4.625 -8.317 -0.488 1.00 0.00 O ATOM 1272 CB TYR A 84 3.476 -8.622 2.217 1.00 0.00 C ATOM 1273 CG TYR A 84 2.932 -9.298 3.459 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.535 -10.470 3.966 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.772 -8.782 4.067 1.00 0.00 C ATOM 1276 CE1 TYR A 84 2.994 -11.116 5.095 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.250 -9.399 5.219 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.865 -10.562 5.743 1.00 0.00 C ATOM 1279 OH TYR A 84 1.345 -11.180 6.838 1.00 0.00 O ATOM 0 H TYR A 84 4.411 -10.613 0.687 1.00 0.00 H new ATOM 0 HA TYR A 84 1.828 -9.193 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.562 -8.718 2.208 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.250 -7.557 2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.415 -10.873 3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.283 -7.914 3.650 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.438 -12.029 5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.379 -8.985 5.704 1.00 0.00 H new ATOM 0 HH TYR A 84 0.573 -10.672 7.165 1.00 0.00 H new ATOM 1289 N THR A 85 2.547 -7.574 -0.879 1.00 0.00 N ATOM 1290 CA THR A 85 2.938 -6.672 -1.964 1.00 0.00 C ATOM 1291 C THR A 85 2.148 -5.365 -1.855 1.00 0.00 C ATOM 1292 O THR A 85 0.975 -5.337 -1.490 1.00 0.00 O ATOM 1293 CB THR A 85 2.792 -7.303 -3.371 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.518 -7.073 -3.930 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.975 -8.829 -3.410 1.00 0.00 C ATOM 0 H THR A 85 1.547 -7.572 -0.678 1.00 0.00 H new ATOM 0 HA THR A 85 4.002 -6.466 -1.847 1.00 0.00 H new ATOM 0 HB THR A 85 3.589 -6.816 -3.933 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.470 -7.487 -4.817 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.856 -9.184 -4.434 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.972 -9.085 -3.051 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.227 -9.302 -2.773 1.00 0.00 H new ATOM 1303 N MET A 86 2.799 -4.253 -2.152 1.00 0.00 N ATOM 1304 CA MET A 86 2.236 -2.906 -2.143 1.00 0.00 C ATOM 1305 C MET A 86 2.733 -2.140 -3.368 1.00 0.00 C ATOM 1306 O MET A 86 3.861 -2.327 -3.824 1.00 0.00 O ATOM 1307 CB MET A 86 2.618 -2.216 -0.832 1.00 0.00 C ATOM 1308 CG MET A 86 2.159 -0.761 -0.750 1.00 0.00 C ATOM 1309 SD MET A 86 2.639 0.091 0.777 1.00 0.00 S ATOM 1310 CE MET A 86 4.341 0.554 0.345 1.00 0.00 C ATOM 0 H MET A 86 3.783 -4.262 -2.420 1.00 0.00 H new ATOM 0 HA MET A 86 1.148 -2.940 -2.198 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.186 -2.772 0.000 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.701 -2.254 -0.713 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.568 -0.215 -1.600 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.073 -0.729 -0.843 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.852 0.931 1.231 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.870 -0.320 -0.035 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.324 1.329 -0.421 1.00 0.00 H new ATOM 1320 N LEU A 87 1.864 -1.281 -3.887 1.00 0.00 N ATOM 1321 CA LEU A 87 2.080 -0.427 -5.054 1.00 0.00 C ATOM 1322 C LEU A 87 1.225 0.856 -4.941 1.00 0.00 C ATOM 1323 O LEU A 87 0.013 0.836 -5.159 1.00 0.00 O ATOM 1324 CB LEU A 87 1.691 -1.225 -6.312 1.00 0.00 C ATOM 1325 CG LEU A 87 2.067 -0.518 -7.615 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.493 -0.865 -8.017 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.136 -0.892 -8.764 1.00 0.00 C ATOM 0 H LEU A 87 0.936 -1.153 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 87 3.126 -0.128 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.179 -2.199 -6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.616 -1.406 -6.302 1.00 0.00 H new ATOM 0 HG LEU A 87 1.974 0.551 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.744 -0.353 -8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.180 -0.549 -7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.578 -1.942 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.443 -0.365 -9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.185 -1.967 -8.937 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.114 -0.611 -8.510 1.00 0.00 H new ATOM 1339 N CYS A 88 1.865 1.974 -4.620 1.00 0.00 N ATOM 1340 CA CYS A 88 1.273 3.301 -4.490 1.00 0.00 C ATOM 1341 C CYS A 88 2.240 4.363 -5.032 1.00 0.00 C ATOM 1342 O CYS A 88 3.443 4.320 -4.750 1.00 0.00 O ATOM 1343 CB CYS A 88 0.970 3.577 -3.013 1.00 0.00 C ATOM 1344 SG CYS A 88 0.351 5.280 -2.773 1.00 0.00 S ATOM 0 H CYS A 88 2.868 1.980 -4.433 1.00 0.00 H new ATOM 0 HA CYS A 88 0.348 3.343 -5.065 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.229 2.864 -2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.872 3.428 -2.420 1.00 0.00 H new ATOM 1349 N LEU A 89 1.711 5.327 -5.792 1.00 0.00 N ATOM 1350 CA LEU A 89 2.470 6.456 -6.337 1.00 0.00 C ATOM 1351 C LEU A 89 3.124 7.296 -5.225 1.00 0.00 C ATOM 1352 O LEU A 89 4.238 7.789 -5.416 1.00 0.00 O ATOM 1353 CB LEU A 89 1.525 7.292 -7.227 1.00 0.00 C ATOM 1354 CG LEU A 89 2.067 8.656 -7.690 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.290 8.538 -8.581 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.044 9.440 -8.511 1.00 0.00 C ATOM 0 H LEU A 89 0.724 5.344 -6.050 1.00 0.00 H new ATOM 0 HA LEU A 89 3.296 6.085 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.275 6.704 -8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.596 7.458 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 89 2.311 9.166 -6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.624 9.533 -8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.088 8.032 -8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.037 7.963 -9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.475 10.394 -8.814 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.773 8.867 -9.398 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.154 9.619 -7.908 1.00 0.00 H new ATOM 1368 N LEU A 90 2.466 7.417 -4.069 1.00 0.00 N ATOM 1369 CA LEU A 90 2.945 8.154 -2.907 1.00 0.00 C ATOM 1370 C LEU A 90 3.625 7.225 -1.904 1.00 0.00 C ATOM 1371 O LEU A 90 4.805 7.407 -1.602 1.00 0.00 O ATOM 1372 CB LEU A 90 1.742 8.841 -2.233 1.00 0.00 C ATOM 1373 CG LEU A 90 2.053 9.438 -0.846 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.165 10.480 -0.910 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.805 10.082 -0.249 1.00 0.00 C ATOM 0 H LEU A 90 1.554 6.988 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 90 3.678 8.891 -3.235 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.379 9.635 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.934 8.117 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 90 2.386 8.614 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.352 10.875 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.075 10.018 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.864 11.293 -1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.043 10.498 0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.456 10.878 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.023 9.330 -0.143 1.00 0.00 H new ATOM 1387 N CYS A 91 2.879 6.279 -1.351 1.00 0.00 N ATOM 1388 CA CYS A 91 3.339 5.419 -0.280 1.00 0.00 C ATOM 1389 C CYS A 91 4.491 4.495 -0.692 1.00 0.00 C ATOM 1390 O CYS A 91 5.424 4.299 0.094 1.00 0.00 O ATOM 1391 CB CYS A 91 2.142 4.671 0.309 1.00 0.00 C ATOM 1392 SG CYS A 91 0.904 5.851 0.930 1.00 0.00 S ATOM 0 H CYS A 91 1.920 6.088 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 91 3.776 6.043 0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.695 4.031 -0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.473 4.021 1.119 1.00 0.00 H new ATOM 1397 N GLY A 92 4.461 3.977 -1.923 1.00 0.00 N ATOM 1398 CA GLY A 92 5.564 3.209 -2.492 1.00 0.00 C ATOM 1399 C GLY A 92 5.240 1.848 -3.097 1.00 0.00 C ATOM 1400 O GLY A 92 4.128 1.333 -2.987 1.00 0.00 O ATOM 0 H GLY A 92 3.666 4.081 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.033 3.817 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.308 3.060 -1.710 1.00 0.00 H new ATOM 1404 N LYS A 93 6.265 1.240 -3.701 1.00 0.00 N ATOM 1405 CA LYS A 93 6.233 -0.119 -4.252 1.00 0.00 C ATOM 1406 C LYS A 93 7.159 -1.027 -3.449 1.00 0.00 C ATOM 1407 O LYS A 93 8.371 -0.812 -3.414 1.00 0.00 O ATOM 1408 CB LYS A 93 6.583 -0.099 -5.741 1.00 0.00 C ATOM 1409 CG LYS A 93 6.776 -1.516 -6.317 1.00 0.00 C ATOM 1410 CD LYS A 93 7.165 -1.462 -7.800 1.00 0.00 C ATOM 1411 CE LYS A 93 7.288 -2.884 -8.364 1.00 0.00 C ATOM 1412 NZ LYS A 93 7.681 -2.873 -9.798 1.00 0.00 N ATOM 0 H LYS A 93 7.170 1.695 -3.824 1.00 0.00 H new ATOM 0 HA LYS A 93 5.224 -0.524 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.791 0.409 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.496 0.478 -5.890 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.549 -2.038 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.855 -2.088 -6.200 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.415 -0.903 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.111 -0.933 -7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.027 -3.442 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.337 -3.404 -8.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.754 -3.851 -10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.963 -2.362 -10.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.601 -2.399 -9.902 1.00 0.00 H new ATOM 1426 N ALA A 94 6.589 -2.034 -2.800 1.00 0.00 N ATOM 1427 CA ALA A 94 7.308 -2.976 -1.952 1.00 0.00 C ATOM 1428 C ALA A 94 6.771 -4.415 -2.025 1.00 0.00 C ATOM 1429 O ALA A 94 5.616 -4.639 -2.384 1.00 0.00 O ATOM 1430 CB ALA A 94 7.275 -2.435 -0.521 1.00 0.00 C ATOM 0 H ALA A 94 5.588 -2.223 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 94 8.333 -3.052 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.807 -3.120 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.754 -1.457 -0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.240 -2.342 -0.191 1.00 0.00 H new ATOM 1436 N GLU A 95 7.610 -5.395 -1.677 1.00 0.00 N ATOM 1437 CA GLU A 95 7.241 -6.814 -1.611 1.00 0.00 C ATOM 1438 C GLU A 95 8.059 -7.552 -0.535 1.00 0.00 C ATOM 1439 O GLU A 95 9.265 -7.332 -0.396 1.00 0.00 O ATOM 1440 CB GLU A 95 7.439 -7.445 -2.997 1.00 0.00 C ATOM 1441 CG GLU A 95 7.168 -8.954 -3.064 1.00 0.00 C ATOM 1442 CD GLU A 95 7.314 -9.467 -4.510 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.334 -9.396 -5.289 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.417 -9.940 -4.881 1.00 0.00 O ATOM 0 H GLU A 95 8.584 -5.222 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 95 6.193 -6.902 -1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.783 -6.941 -3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.463 -7.260 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.863 -9.483 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.164 -9.165 -2.697 1.00 0.00 H new ATOM 1451 N ASP A 96 7.400 -8.434 0.218 1.00 0.00 N ATOM 1452 CA ASP A 96 7.976 -9.273 1.269 1.00 0.00 C ATOM 1453 C ASP A 96 7.357 -10.678 1.278 1.00 0.00 C ATOM 1454 O ASP A 96 6.189 -10.842 0.921 1.00 0.00 O ATOM 1455 CB ASP A 96 7.751 -8.625 2.644 1.00 0.00 C ATOM 1456 CG ASP A 96 8.657 -9.250 3.713 1.00 0.00 C ATOM 1457 OD1 ASP A 96 9.892 -9.301 3.494 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.144 -9.680 4.771 1.00 0.00 O ATOM 0 H ASP A 96 6.398 -8.590 0.105 1.00 0.00 H new ATOM 0 HA ASP A 96 9.043 -9.364 1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.947 -7.555 2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.707 -8.741 2.936 1.00 0.00 H new ATOM 1463 N THR A 97 8.101 -11.685 1.740 1.00 0.00 N ATOM 1464 CA THR A 97 7.581 -13.053 1.907 1.00 0.00 C ATOM 1465 C THR A 97 8.037 -13.643 3.247 1.00 0.00 C ATOM 1466 O THR A 97 9.210 -13.522 3.608 1.00 0.00 O ATOM 1467 CB THR A 97 7.981 -13.994 0.755 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.028 -13.341 -0.499 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.979 -15.136 0.604 1.00 0.00 C ATOM 0 H THR A 97 9.079 -11.581 2.010 1.00 0.00 H new ATOM 0 HA THR A 97 6.494 -12.973 1.892 1.00 0.00 H new ATOM 0 HB THR A 97 8.973 -14.359 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.288 -13.983 -1.192 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.287 -15.784 -0.217 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.943 -15.713 1.528 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.991 -14.727 0.393 1.00 0.00 H new ATOM 1477 N ILE A 98 7.118 -14.271 3.990 1.00 0.00 N ATOM 1478 CA ILE A 98 7.357 -14.852 5.323 1.00 0.00 C ATOM 1479 C ILE A 98 7.023 -16.340 5.328 1.00 0.00 C ATOM 1480 O ILE A 98 5.902 -16.721 5.011 1.00 0.00 O ATOM 1481 CB ILE A 98 6.494 -14.156 6.403 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.456 -12.624 6.233 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.017 -14.539 7.794 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.706 -11.854 7.330 1.00 0.00 C ATOM 0 H ILE A 98 6.156 -14.394 3.673 1.00 0.00 H new ATOM 0 HA ILE A 98 8.412 -14.704 5.552 1.00 0.00 H new ATOM 0 HB ILE A 98 5.467 -14.502 6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.481 -12.255 6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.995 -12.394 5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.412 -14.051 8.558 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.957 -15.620 7.920 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.054 -14.219 7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.740 -10.786 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.668 -12.185 7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.177 -12.044 8.295 1.00 0.00 H new ATOM 1496 N SER A 99 7.949 -17.192 5.750 1.00 0.00 N ATOM 1497 CA SER A 99 7.694 -18.630 5.906 1.00 0.00 C ATOM 1498 C SER A 99 7.039 -18.894 7.269 1.00 0.00 C ATOM 1499 O SER A 99 7.475 -18.354 8.292 1.00 0.00 O ATOM 1500 CB SER A 99 8.977 -19.442 5.698 1.00 0.00 C ATOM 1501 OG SER A 99 10.058 -18.948 6.477 1.00 0.00 O ATOM 0 H SER A 99 8.899 -16.912 5.995 1.00 0.00 H new ATOM 0 HA SER A 99 6.997 -18.961 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.791 -20.484 5.957 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.252 -19.420 4.643 1.00 0.00 H new ATOM 0 HG SER A 99 10.855 -19.495 6.315 1.00 0.00 H new ATOM 1507 N ILE A 100 5.966 -19.693 7.287 1.00 0.00 N ATOM 1508 CA ILE A 100 5.162 -19.988 8.486 1.00 0.00 C ATOM 1509 C ILE A 100 4.838 -21.488 8.660 1.00 0.00 C ATOM 1510 O ILE A 100 5.236 -22.336 7.861 1.00 0.00 O ATOM 1511 CB ILE A 100 3.905 -19.067 8.556 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.954 -19.102 7.337 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.332 -17.605 8.784 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.147 -20.396 7.182 1.00 0.00 C ATOM 0 H ILE A 100 5.622 -20.165 6.451 1.00 0.00 H new ATOM 0 HA ILE A 100 5.781 -19.750 9.351 1.00 0.00 H new ATOM 0 HB ILE A 100 3.335 -19.476 9.390 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.260 -18.265 7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.542 -18.947 6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.447 -16.971 8.831 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.883 -17.529 9.721 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.968 -17.279 7.961 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.510 -20.324 6.300 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.829 -21.239 7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.527 -20.546 8.066 1.00 0.00 H new ATOM 1526 N LEU A 101 4.131 -21.818 9.745 1.00 0.00 N ATOM 1527 CA LEU A 101 3.710 -23.160 10.158 1.00 0.00 C ATOM 1528 C LEU A 101 2.268 -23.110 10.708 1.00 0.00 C ATOM 1529 O LEU A 101 1.810 -22.026 11.088 1.00 0.00 O ATOM 1530 CB LEU A 101 4.684 -23.605 11.268 1.00 0.00 C ATOM 1531 CG LEU A 101 6.106 -23.979 10.806 1.00 0.00 C ATOM 1532 CD1 LEU A 101 6.978 -24.267 12.029 1.00 0.00 C ATOM 1533 CD2 LEU A 101 6.119 -25.221 9.913 1.00 0.00 C ATOM 0 H LEU A 101 3.816 -21.105 10.403 1.00 0.00 H new ATOM 0 HA LEU A 101 3.726 -23.856 9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.761 -22.802 12.001 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.252 -24.464 11.781 1.00 0.00 H new ATOM 0 HG LEU A 101 6.489 -23.135 10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.984 -24.532 11.704 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.022 -23.380 12.661 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.550 -25.095 12.594 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.143 -25.443 9.614 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.709 -26.069 10.462 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.514 -25.037 9.025 1.00 0.00 H new ATOM 1545 N PRO A 102 1.545 -24.248 10.810 1.00 0.00 N ATOM 1546 CA PRO A 102 0.181 -24.286 11.356 1.00 0.00 C ATOM 1547 C PRO A 102 0.082 -23.817 12.823 1.00 0.00 C ATOM 1548 O PRO A 102 -0.997 -23.437 13.281 1.00 0.00 O ATOM 1549 CB PRO A 102 -0.303 -25.728 11.164 1.00 0.00 C ATOM 1550 CG PRO A 102 0.988 -26.541 11.095 1.00 0.00 C ATOM 1551 CD PRO A 102 1.963 -25.586 10.410 1.00 0.00 C ATOM 0 HA PRO A 102 -0.456 -23.576 10.829 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.935 -26.051 11.991 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.892 -25.834 10.253 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.336 -26.829 12.087 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.856 -27.460 10.524 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.989 -25.785 10.719 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.928 -25.700 9.327 1.00 0.00 H new ATOM 1559 N ASP A 103 1.203 -23.791 13.553 1.00 0.00 N ATOM 1560 CA ASP A 103 1.320 -23.285 14.930 1.00 0.00 C ATOM 1561 C ASP A 103 1.327 -21.735 15.012 1.00 0.00 C ATOM 1562 O ASP A 103 1.421 -21.170 16.103 1.00 0.00 O ATOM 1563 CB ASP A 103 2.607 -23.851 15.553 1.00 0.00 C ATOM 1564 CG ASP A 103 2.568 -25.384 15.671 1.00 0.00 C ATOM 1565 OD1 ASP A 103 1.915 -25.903 16.609 1.00 0.00 O ATOM 1566 OD2 ASP A 103 3.198 -26.073 14.833 1.00 0.00 O ATOM 0 H ASP A 103 2.091 -24.135 13.188 1.00 0.00 H new ATOM 0 HA ASP A 103 0.440 -23.616 15.482 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.463 -23.556 14.946 1.00 0.00 H new ATOM 0 HB3 ASP A 103 2.752 -23.415 16.542 1.00 0.00 H new ATOM 1571 N ASP A 104 1.237 -21.043 13.868 1.00 0.00 N ATOM 1572 CA ASP A 104 1.261 -19.580 13.705 1.00 0.00 C ATOM 1573 C ASP A 104 2.447 -18.865 14.405 1.00 0.00 C ATOM 1574 O ASP A 104 2.240 -18.012 15.274 1.00 0.00 O ATOM 1575 CB ASP A 104 -0.118 -18.974 14.028 1.00 0.00 C ATOM 1576 CG ASP A 104 -0.201 -17.494 13.609 1.00 0.00 C ATOM 1577 OD1 ASP A 104 0.030 -17.195 12.413 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -0.508 -16.628 14.463 1.00 0.00 O ATOM 0 H ASP A 104 1.139 -21.520 12.972 1.00 0.00 H new ATOM 0 HA ASP A 104 1.462 -19.389 12.651 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -0.894 -19.542 13.515 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.313 -19.061 15.097 1.00 0.00 H new ATOM 1583 N PRO A 105 3.710 -19.184 14.043 1.00 0.00 N ATOM 1584 CA PRO A 105 4.893 -18.543 14.623 1.00 0.00 C ATOM 1585 C PRO A 105 5.028 -17.063 14.214 1.00 0.00 C ATOM 1586 O PRO A 105 5.624 -16.278 14.954 1.00 0.00 O ATOM 1587 CB PRO A 105 6.083 -19.375 14.132 1.00 0.00 C ATOM 1588 CG PRO A 105 5.602 -19.930 12.793 1.00 0.00 C ATOM 1589 CD PRO A 105 4.111 -20.162 13.039 1.00 0.00 C ATOM 0 HA PRO A 105 4.830 -18.521 15.711 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.978 -18.765 14.015 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.331 -20.173 14.832 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.773 -19.226 11.978 1.00 0.00 H new ATOM 0 HG3 PRO A 105 6.117 -20.854 12.529 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.540 -20.033 12.120 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.927 -21.178 13.389 1.00 0.00 H new ATOM 1597 N ARG A 106 4.451 -16.683 13.056 1.00 0.00 N ATOM 1598 CA ARG A 106 4.387 -15.331 12.446 1.00 0.00 C ATOM 1599 C ARG A 106 5.661 -14.463 12.545 1.00 0.00 C ATOM 1600 O ARG A 106 5.582 -13.236 12.594 1.00 0.00 O ATOM 1601 CB ARG A 106 3.081 -14.629 12.883 1.00 0.00 C ATOM 1602 CG ARG A 106 2.948 -14.366 14.392 1.00 0.00 C ATOM 1603 CD ARG A 106 1.605 -13.702 14.714 1.00 0.00 C ATOM 1604 NE ARG A 106 1.472 -13.439 16.160 1.00 0.00 N ATOM 1605 CZ ARG A 106 0.901 -14.207 17.073 1.00 0.00 C ATOM 1606 NH1 ARG A 106 0.299 -15.329 16.797 1.00 0.00 N ATOM 1607 NH2 ARG A 106 0.924 -13.846 18.326 1.00 0.00 N ATOM 0 H ARG A 106 3.976 -17.370 12.470 1.00 0.00 H new ATOM 0 HA ARG A 106 4.354 -15.481 11.367 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.007 -13.677 12.357 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.236 -15.238 12.561 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.034 -15.305 14.938 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.764 -13.726 14.727 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.518 -12.766 14.162 1.00 0.00 H new ATOM 0 HD3 ARG A 106 0.790 -14.345 14.382 1.00 0.00 H new ATOM 0 HE ARG A 106 1.867 -12.561 16.495 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.250 -15.658 15.833 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -0.123 -15.879 17.545 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.381 -12.975 18.598 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.485 -14.434 19.034 1.00 0.00 H new ATOM 1621 N GLN A 107 6.830 -15.112 12.557 1.00 0.00 N ATOM 1622 CA GLN A 107 8.193 -14.558 12.635 1.00 0.00 C ATOM 1623 C GLN A 107 8.294 -13.206 13.362 1.00 0.00 C ATOM 1624 O GLN A 107 9.316 -12.901 13.992 1.00 0.00 O ATOM 1625 CB GLN A 107 8.804 -14.471 11.222 1.00 0.00 C ATOM 1626 CG GLN A 107 8.715 -15.770 10.396 1.00 0.00 C ATOM 1627 CD GLN A 107 9.300 -16.987 11.111 1.00 0.00 C ATOM 1628 OE1 GLN A 107 8.626 -17.678 11.866 1.00 0.00 O ATOM 1629 NE2 GLN A 107 10.568 -17.288 10.927 1.00 0.00 N ATOM 0 H GLN A 107 6.852 -16.131 12.508 1.00 0.00 H new ATOM 0 HA GLN A 107 8.767 -15.251 13.250 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.303 -13.674 10.673 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.852 -14.186 11.312 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.670 -15.967 10.155 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.239 -15.627 9.451 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.141 -16.722 10.301 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.978 -18.088 11.410 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.774 17.545 -6.361 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.186 20.185 -3.618 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.582 5.324 -0.709 1.00 0.00 ZN