USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 658 hydrogens (19 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: P 4 M3L H2 : P 4 M3L N : P 3 THR C :(H bumps) USER MOD NoAdj-H: P 4 M3L H : P 4 M3L N : P 3 THR C :(H bumps) USER MOD NoAdj-H: A 893 HIS HD1 : A 893 HIS ND1 : A 941 ZNZN :(H bumps) USER MOD Single : A 851 SER OG : rot -140:sc= 0.0298 USER MOD Single : A 852 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 853 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 855 MET CE :methyl 165:sc= -0.0608 (180deg=-0.373) USER MOD Single : A 857 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 865 ASN : amide:sc= -0.403! X(o=-0.4!,f=-0.72) USER MOD Single : A 866 GLN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 874 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 875 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 880 SER OG : rot 180:sc= -0.605 USER MOD Single : A 882 MET CE :methyl -131:sc= -0.439 (180deg=-0.71) USER MOD Single : A 892 TYR OH : rot 57:sc= 0.855 USER MOD Single : A 900 MET CE :methyl 159:sc= -0.123 (180deg=-0.715) USER MOD Single : A 907 MET CE :methyl -176:sc= -0.721 (180deg=-0.75) USER MOD Single : A 908 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.16) USER MOD Single : A 913 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00857) USER MOD Single : A 916 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 917 LYS NZ :NH3+ -161:sc= 2.2 (180deg=1.4) USER MOD Single : A 919 LYS NZ :NH3+ 163:sc= -0.0725 (180deg=-0.455) USER MOD Single : A 920 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00389) USER MOD Single : A 922 LYS NZ :NH3+ 144:sc= 1.04 (180deg=0.0558) USER MOD Single : A 923 LYS NZ :NH3+ 168:sc= -0.0502 (180deg=-0.283) USER MOD Single : A 924 HIS : no HD1:sc= 0 X(o=0,f=-0.0042) USER MOD Single : P 1 ALA N :NH3+ -163:sc= 1.35 (180deg=0.526) USER MOD Single : P 3 THR OG1 : rot -110:sc= -0.186 USER MOD Single : P 5 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.6!) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD Single : P 9 LYS NZ :NH3+ -165:sc= -0.0595 (180deg=-0.302) USER MOD Single : P 10 SER OG : rot 180:sc=0.000636 USER MOD Single : P 11 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 13.600 5.525 4.493 1.00 0.00 N ATOM 2 CA ALA P 1 12.821 5.319 3.291 1.00 0.00 C ATOM 3 C ALA P 1 11.506 4.730 3.688 1.00 0.00 C ATOM 4 O ALA P 1 11.401 3.544 3.960 1.00 0.00 O ATOM 5 CB ALA P 1 13.541 4.385 2.323 1.00 0.00 C ATOM 0 H1 ALA P 1 14.380 6.183 4.293 1.00 0.00 H new ATOM 0 H2 ALA P 1 12.992 5.925 5.236 1.00 0.00 H new ATOM 0 H3 ALA P 1 13.988 4.616 4.815 1.00 0.00 H new ATOM 0 HA ALA P 1 12.677 6.272 2.782 1.00 0.00 H new ATOM 0 HB1 ALA P 1 12.933 4.248 1.429 1.00 0.00 H new ATOM 0 HB2 ALA P 1 14.502 4.819 2.045 1.00 0.00 H new ATOM 0 HB3 ALA P 1 13.704 3.420 2.802 1.00 0.00 H new ATOM 13 N ARG P 2 10.509 5.569 3.786 1.00 0.00 N ATOM 14 CA ARG P 2 9.214 5.117 4.209 1.00 0.00 C ATOM 15 C ARG P 2 8.458 4.637 3.002 1.00 0.00 C ATOM 16 O ARG P 2 8.200 5.421 2.080 1.00 0.00 O ATOM 17 CB ARG P 2 8.445 6.253 4.842 1.00 0.00 C ATOM 18 CG ARG P 2 7.620 5.852 6.045 1.00 0.00 C ATOM 19 CD ARG P 2 6.803 7.018 6.561 1.00 0.00 C ATOM 20 NE ARG P 2 7.584 8.268 6.653 1.00 0.00 N ATOM 21 CZ ARG P 2 7.047 9.495 6.735 1.00 0.00 C ATOM 22 NH1 ARG P 2 5.761 9.641 7.012 1.00 0.00 N ATOM 23 NH2 ARG P 2 7.808 10.568 6.585 1.00 0.00 N ATOM 0 H ARG P 2 10.570 6.566 3.579 1.00 0.00 H new ATOM 0 HA ARG P 2 9.332 4.315 4.938 1.00 0.00 H new ATOM 0 HB2 ARG P 2 9.148 7.030 5.141 1.00 0.00 H new ATOM 0 HB3 ARG P 2 7.785 6.691 4.093 1.00 0.00 H new ATOM 0 HG2 ARG P 2 6.956 5.030 5.777 1.00 0.00 H new ATOM 0 HG3 ARG P 2 8.277 5.487 6.835 1.00 0.00 H new ATOM 0 HD2 ARG P 2 5.949 7.176 5.903 1.00 0.00 H new ATOM 0 HD3 ARG P 2 6.406 6.770 7.545 1.00 0.00 H new ATOM 0 HE ARG P 2 8.601 8.194 6.654 1.00 0.00 H new ATOM 0 HH11 ARG P 2 5.176 8.820 7.164 1.00 0.00 H new ATOM 0 HH12 ARG P 2 5.355 10.575 7.074 1.00 0.00 H new ATOM 0 HH21 ARG P 2 8.807 10.464 6.406 1.00 0.00 H new ATOM 0 HH22 ARG P 2 7.395 11.499 6.648 1.00 0.00 H new ATOM 37 N THR P 3 8.153 3.379 2.969 1.00 0.00 N ATOM 38 CA THR P 3 7.397 2.822 1.891 1.00 0.00 C ATOM 39 C THR P 3 6.098 2.258 2.406 1.00 0.00 C ATOM 40 O THR P 3 6.082 1.570 3.433 1.00 0.00 O ATOM 41 CB THR P 3 8.189 1.728 1.168 1.00 0.00 C ATOM 42 OG1 THR P 3 8.719 0.795 2.130 1.00 0.00 O ATOM 43 CG2 THR P 3 9.317 2.333 0.353 1.00 0.00 C ATOM 0 H THR P 3 8.421 2.708 3.689 1.00 0.00 H new ATOM 0 HA THR P 3 7.187 3.620 1.179 1.00 0.00 H new ATOM 0 HB THR P 3 7.518 1.203 0.488 1.00 0.00 H new ATOM 0 HG1 THR P 3 9.693 0.894 2.180 1.00 0.00 H new ATOM 0 HG21 THR P 3 9.867 1.539 -0.152 1.00 0.00 H new ATOM 0 HG22 THR P 3 8.904 3.017 -0.388 1.00 0.00 H new ATOM 0 HG23 THR P 3 9.991 2.878 1.014 1.00 0.00 H new HETATM 51 N M3L P 4 5.031 2.559 1.724 1.00 0.00 N HETATM 52 CA M3L P 4 3.726 2.082 2.097 1.00 0.00 C HETATM 53 CB M3L P 4 2.998 3.092 2.999 1.00 0.00 C HETATM 54 CG M3L P 4 3.034 4.517 2.501 1.00 0.00 C HETATM 55 CD M3L P 4 1.702 4.934 1.932 1.00 0.00 C HETATM 56 CE M3L P 4 1.877 6.098 0.969 1.00 0.00 C HETATM 57 NZ M3L P 4 0.589 6.896 0.827 1.00 0.00 N HETATM 58 C M3L P 4 2.926 1.825 0.845 1.00 0.00 C HETATM 59 O M3L P 4 3.244 2.383 -0.222 1.00 0.00 O HETATM 60 CM1 M3L P 4 -0.443 6.077 0.068 1.00 0.00 C HETATM 61 CM2 M3L P 4 0.048 7.280 2.203 1.00 0.00 C HETATM 62 CM3 M3L P 4 0.869 8.149 0.042 1.00 0.00 C HETATM 0 HM33 M3L P 4 1.615 8.747 0.566 1.00 0.00 H new HETATM 0 HM32 M3L P 4 1.246 7.883 -0.946 1.00 0.00 H new HETATM 0 HM31 M3L P 4 -0.050 8.725 -0.063 1.00 0.00 H new HETATM 0 HM23 M3L P 4 -0.155 6.377 2.779 1.00 0.00 H new HETATM 0 HM22 M3L P 4 0.786 7.887 2.728 1.00 0.00 H new HETATM 0 HM21 M3L P 4 -0.873 7.850 2.085 1.00 0.00 H new HETATM 0 HM13 M3L P 4 -0.058 5.835 -0.923 1.00 0.00 H new HETATM 0 HM12 M3L P 4 -0.648 5.155 0.613 1.00 0.00 H new HETATM 0 HM11 M3L P 4 -1.363 6.653 -0.031 1.00 0.00 H new HETATM 0 HG3 M3L P 4 3.307 5.183 3.319 1.00 0.00 H new HETATM 0 HG2 M3L P 4 3.805 4.618 1.737 1.00 0.00 H new HETATM 0 HE3 M3L P 4 2.674 6.751 1.325 1.00 0.00 H new HETATM 0 HE2 M3L P 4 2.184 5.722 -0.007 1.00 0.00 H new HETATM 0 HD3 M3L P 4 1.241 4.092 1.415 1.00 0.00 H new HETATM 0 HD2 M3L P 4 1.028 5.220 2.740 1.00 0.00 H new HETATM 0 HB3 M3L P 4 1.958 2.783 3.103 1.00 0.00 H new HETATM 0 HB2 M3L P 4 3.442 3.057 3.994 1.00 0.00 H new HETATM 0 HA M3L P 4 3.836 1.158 2.665 1.00 0.00 H new ATOM 82 N GLN P 5 1.910 1.009 0.972 1.00 0.00 N ATOM 83 CA GLN P 5 1.047 0.646 -0.116 1.00 0.00 C ATOM 84 C GLN P 5 -0.206 0.030 0.469 1.00 0.00 C ATOM 85 O GLN P 5 -0.121 -0.728 1.427 1.00 0.00 O ATOM 86 CB GLN P 5 1.729 -0.381 -0.995 1.00 0.00 C ATOM 87 CG GLN P 5 0.948 -0.669 -2.240 1.00 0.00 C ATOM 88 CD GLN P 5 1.480 -1.833 -3.003 1.00 0.00 C ATOM 89 OE1 GLN P 5 2.677 -2.115 -2.999 1.00 0.00 O ATOM 90 NE2 GLN P 5 0.614 -2.537 -3.630 1.00 0.00 N ATOM 0 H GLN P 5 1.657 0.570 1.857 1.00 0.00 H new ATOM 0 HA GLN P 5 0.810 1.527 -0.713 1.00 0.00 H new ATOM 0 HB2 GLN P 5 2.722 -0.023 -1.266 1.00 0.00 H new ATOM 0 HB3 GLN P 5 1.866 -1.304 -0.432 1.00 0.00 H new ATOM 0 HG2 GLN P 5 -0.092 -0.860 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN P 5 0.957 0.213 -2.880 1.00 0.00 H new ATOM 0 HE21 GLN P 5 -0.371 -2.271 -3.610 1.00 0.00 H new ATOM 0 HE22 GLN P 5 0.909 -3.364 -4.150 1.00 0.00 H new ATOM 99 N THR P 6 -1.356 0.365 -0.059 1.00 0.00 N ATOM 100 CA THR P 6 -2.581 -0.230 0.428 1.00 0.00 C ATOM 101 C THR P 6 -3.662 -0.268 -0.639 1.00 0.00 C ATOM 102 O THR P 6 -4.351 -1.266 -0.755 1.00 0.00 O ATOM 103 CB THR P 6 -3.117 0.432 1.758 1.00 0.00 C ATOM 104 OG1 THR P 6 -4.347 -0.207 2.206 1.00 0.00 O ATOM 105 CG2 THR P 6 -3.352 1.937 1.594 1.00 0.00 C ATOM 0 H THR P 6 -1.473 1.038 -0.817 1.00 0.00 H new ATOM 0 HA THR P 6 -2.321 -1.258 0.679 1.00 0.00 H new ATOM 0 HB THR P 6 -2.343 0.286 2.512 1.00 0.00 H new ATOM 0 HG1 THR P 6 -4.656 0.221 3.032 1.00 0.00 H new ATOM 0 HG21 THR P 6 -3.720 2.352 2.532 1.00 0.00 H new ATOM 0 HG22 THR P 6 -2.415 2.424 1.325 1.00 0.00 H new ATOM 0 HG23 THR P 6 -4.088 2.107 0.808 1.00 0.00 H new ATOM 113 N ALA P 7 -3.777 0.809 -1.435 1.00 0.00 N ATOM 114 CA ALA P 7 -4.828 0.951 -2.447 1.00 0.00 C ATOM 115 C ALA P 7 -6.192 0.793 -1.765 1.00 0.00 C ATOM 116 O ALA P 7 -6.335 1.101 -0.563 1.00 0.00 O ATOM 117 CB ALA P 7 -4.622 -0.087 -3.569 1.00 0.00 C ATOM 0 H ALA P 7 -3.141 1.605 -1.391 1.00 0.00 H new ATOM 0 HA ALA P 7 -4.784 1.938 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA P 7 -5.407 0.025 -4.317 1.00 0.00 H new ATOM 0 HB2 ALA P 7 -3.650 0.071 -4.037 1.00 0.00 H new ATOM 0 HB3 ALA P 7 -4.663 -1.091 -3.148 1.00 0.00 H new ATOM 123 N ARG P 8 -7.183 0.399 -2.496 1.00 0.00 N ATOM 124 CA ARG P 8 -8.430 0.073 -1.895 1.00 0.00 C ATOM 125 C ARG P 8 -8.707 -1.385 -2.192 1.00 0.00 C ATOM 126 O ARG P 8 -9.304 -1.742 -3.219 1.00 0.00 O ATOM 127 CB ARG P 8 -9.560 1.001 -2.353 1.00 0.00 C ATOM 128 CG ARG P 8 -10.854 0.793 -1.592 1.00 0.00 C ATOM 129 CD ARG P 8 -11.895 1.832 -1.955 1.00 0.00 C ATOM 130 NE ARG P 8 -12.286 1.786 -3.370 1.00 0.00 N ATOM 131 CZ ARG P 8 -13.062 2.697 -3.974 1.00 0.00 C ATOM 132 NH1 ARG P 8 -13.470 3.771 -3.303 1.00 0.00 N ATOM 133 NH2 ARG P 8 -13.412 2.541 -5.249 1.00 0.00 N ATOM 0 H ARG P 8 -7.151 0.296 -3.510 1.00 0.00 H new ATOM 0 HA ARG P 8 -8.379 0.224 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG P 8 -9.240 2.036 -2.236 1.00 0.00 H new ATOM 0 HB3 ARG P 8 -9.742 0.842 -3.416 1.00 0.00 H new ATOM 0 HG2 ARG P 8 -11.245 -0.202 -1.805 1.00 0.00 H new ATOM 0 HG3 ARG P 8 -10.656 0.836 -0.521 1.00 0.00 H new ATOM 0 HD2 ARG P 8 -12.779 1.684 -1.335 1.00 0.00 H new ATOM 0 HD3 ARG P 8 -11.506 2.824 -1.724 1.00 0.00 H new ATOM 0 HE ARG P 8 -11.943 1.007 -3.932 1.00 0.00 H new ATOM 0 HH11 ARG P 8 -13.192 3.900 -2.330 1.00 0.00 H new ATOM 0 HH12 ARG P 8 -14.060 4.465 -3.761 1.00 0.00 H new ATOM 0 HH21 ARG P 8 -13.090 1.726 -5.770 1.00 0.00 H new ATOM 0 HH22 ARG P 8 -14.003 3.237 -5.705 1.00 0.00 H new ATOM 147 N LYS P 9 -8.154 -2.221 -1.350 1.00 0.00 N ATOM 148 CA LYS P 9 -8.213 -3.655 -1.507 1.00 0.00 C ATOM 149 C LYS P 9 -9.583 -4.200 -1.260 1.00 0.00 C ATOM 150 O LYS P 9 -10.261 -3.813 -0.296 1.00 0.00 O ATOM 151 CB LYS P 9 -7.223 -4.340 -0.568 1.00 0.00 C ATOM 152 CG LYS P 9 -5.783 -4.008 -0.857 1.00 0.00 C ATOM 153 CD LYS P 9 -4.846 -4.607 0.171 1.00 0.00 C ATOM 154 CE LYS P 9 -3.394 -4.294 -0.163 1.00 0.00 C ATOM 155 NZ LYS P 9 -2.985 -4.849 -1.479 1.00 0.00 N ATOM 0 H LYS P 9 -7.641 -1.920 -0.521 1.00 0.00 H new ATOM 0 HA LYS P 9 -7.948 -3.865 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS P 9 -7.453 -4.055 0.459 1.00 0.00 H new ATOM 0 HB3 LYS P 9 -7.358 -5.419 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS P 9 -5.518 -4.377 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS P 9 -5.657 -2.925 -0.875 1.00 0.00 H new ATOM 0 HD2 LYS P 9 -5.088 -4.216 1.159 1.00 0.00 H new ATOM 0 HD3 LYS P 9 -4.988 -5.687 0.212 1.00 0.00 H new ATOM 0 HE2 LYS P 9 -3.249 -3.214 -0.166 1.00 0.00 H new ATOM 0 HE3 LYS P 9 -2.749 -4.700 0.616 1.00 0.00 H new ATOM 0 HZ1 LYS P 9 -1.948 -4.838 -1.553 1.00 0.00 H new ATOM 0 HZ2 LYS P 9 -3.328 -5.827 -1.565 1.00 0.00 H new ATOM 0 HZ3 LYS P 9 -3.393 -4.271 -2.241 1.00 0.00 H new ATOM 169 N SER P 10 -9.991 -5.086 -2.137 1.00 0.00 N ATOM 170 CA SER P 10 -11.214 -5.811 -1.976 1.00 0.00 C ATOM 171 C SER P 10 -11.042 -6.736 -0.767 1.00 0.00 C ATOM 172 O SER P 10 -11.934 -6.877 0.075 1.00 0.00 O ATOM 173 CB SER P 10 -11.447 -6.632 -3.228 1.00 0.00 C ATOM 174 OG SER P 10 -11.252 -5.838 -4.403 1.00 0.00 O ATOM 0 H SER P 10 -9.476 -5.321 -2.985 1.00 0.00 H new ATOM 0 HA SER P 10 -12.062 -5.145 -1.820 1.00 0.00 H new ATOM 0 HB2 SER P 10 -10.766 -7.483 -3.242 1.00 0.00 H new ATOM 0 HB3 SER P 10 -12.460 -7.035 -3.220 1.00 0.00 H new ATOM 0 HG SER P 10 -11.406 -6.388 -5.199 1.00 0.00 H new ATOM 180 N THR P 11 -9.869 -7.339 -0.702 1.00 0.00 N ATOM 181 CA THR P 11 -9.470 -8.169 0.388 1.00 0.00 C ATOM 182 C THR P 11 -7.934 -8.127 0.490 1.00 0.00 C ATOM 183 O THR P 11 -7.218 -8.172 -0.538 1.00 0.00 O ATOM 184 CB THR P 11 -10.006 -9.637 0.239 1.00 0.00 C ATOM 185 OG1 THR P 11 -9.608 -10.451 1.362 1.00 0.00 O ATOM 186 CG2 THR P 11 -9.539 -10.285 -1.064 1.00 0.00 C ATOM 0 H THR P 11 -9.160 -7.254 -1.430 1.00 0.00 H new ATOM 0 HA THR P 11 -9.908 -7.789 1.311 1.00 0.00 H new ATOM 0 HB THR P 11 -11.094 -9.575 0.215 1.00 0.00 H new ATOM 0 HG1 THR P 11 -9.955 -11.360 1.247 1.00 0.00 H new ATOM 0 HG21 THR P 11 -9.932 -11.300 -1.127 1.00 0.00 H new ATOM 0 HG22 THR P 11 -9.902 -9.702 -1.911 1.00 0.00 H new ATOM 0 HG23 THR P 11 -8.450 -10.316 -1.085 1.00 0.00 H new ATOM 194 N GLY P 12 -7.439 -7.935 1.688 1.00 0.00 N ATOM 195 CA GLY P 12 -6.016 -7.907 1.910 1.00 0.00 C ATOM 196 C GLY P 12 -5.499 -9.252 2.342 1.00 0.00 C ATOM 197 O GLY P 12 -4.468 -9.726 1.860 1.00 0.00 O ATOM 0 H GLY P 12 -8.003 -7.795 2.526 1.00 0.00 H new ATOM 0 HA2 GLY P 12 -5.510 -7.598 0.995 1.00 0.00 H new ATOM 0 HA3 GLY P 12 -5.780 -7.164 2.671 1.00 0.00 H new ATOM 201 N GLY P 13 -6.230 -9.886 3.203 1.00 0.00 N ATOM 202 CA GLY P 13 -5.849 -11.161 3.724 1.00 0.00 C ATOM 203 C GLY P 13 -6.194 -11.229 5.173 1.00 0.00 C ATOM 204 O GLY P 13 -7.331 -11.608 5.496 1.00 0.00 O ATOM 205 OXT GLY P 13 -5.365 -10.853 6.004 1.00 0.00 O ATOM 0 H GLY P 13 -7.114 -9.531 3.567 1.00 0.00 H new ATOM 0 HA2 GLY P 13 -6.360 -11.955 3.180 1.00 0.00 H new ATOM 0 HA3 GLY P 13 -4.779 -11.317 3.586 1.00 0.00 H new TER 209 GLY P 13 ATOM 210 N GLY A 850 8.099 20.182 0.430 1.00 0.00 N ATOM 211 CA GLY A 850 6.792 20.708 0.050 1.00 0.00 C ATOM 212 C GLY A 850 6.916 21.715 -1.060 1.00 0.00 C ATOM 213 O GLY A 850 8.020 22.172 -1.356 1.00 0.00 O ATOM 0 HA2 GLY A 850 6.146 19.890 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 850 6.318 21.172 0.915 1.00 0.00 H new ATOM 219 N SER A 851 5.812 22.060 -1.677 1.00 0.00 N ATOM 220 CA SER A 851 5.784 23.049 -2.732 1.00 0.00 C ATOM 221 C SER A 851 5.428 24.418 -2.132 1.00 0.00 C ATOM 222 O SER A 851 5.135 24.501 -0.927 1.00 0.00 O ATOM 223 CB SER A 851 4.760 22.601 -3.766 1.00 0.00 C ATOM 224 OG SER A 851 3.575 22.150 -3.115 1.00 0.00 O ATOM 0 H SER A 851 4.899 21.660 -1.461 1.00 0.00 H new ATOM 0 HA SER A 851 6.756 23.145 -3.216 1.00 0.00 H new ATOM 0 HB2 SER A 851 4.524 23.426 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 851 5.175 21.801 -4.378 1.00 0.00 H new ATOM 0 HG SER A 851 3.230 21.357 -3.576 1.00 0.00 H new ATOM 230 N HIS A 852 5.449 25.479 -2.941 1.00 0.00 N ATOM 231 CA HIS A 852 5.134 26.819 -2.439 1.00 0.00 C ATOM 232 C HIS A 852 3.683 26.877 -2.031 1.00 0.00 C ATOM 233 O HIS A 852 3.356 27.111 -0.867 1.00 0.00 O ATOM 234 CB HIS A 852 5.399 27.914 -3.486 1.00 0.00 C ATOM 235 CG HIS A 852 6.813 28.030 -3.953 1.00 0.00 C ATOM 236 ND1 HIS A 852 7.129 27.940 -5.289 1.00 0.00 N ATOM 237 CD2 HIS A 852 7.938 28.271 -3.245 1.00 0.00 C ATOM 238 CE1 HIS A 852 8.436 28.128 -5.363 1.00 0.00 C ATOM 239 NE2 HIS A 852 8.966 28.334 -4.151 1.00 0.00 N ATOM 0 H HIS A 852 5.678 25.439 -3.934 1.00 0.00 H new ATOM 0 HA HIS A 852 5.786 27.005 -1.585 1.00 0.00 H new ATOM 0 HB2 HIS A 852 4.763 27.726 -4.351 1.00 0.00 H new ATOM 0 HB3 HIS A 852 5.093 28.873 -3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 852 8.013 28.391 -2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 852 9.003 28.117 -6.282 1.00 0.00 H new ATOM 0 HE2 HIS A 852 9.949 28.506 -3.941 1.00 0.00 H new ATOM 247 N MET A 853 2.811 26.628 -2.979 1.00 0.00 N ATOM 248 CA MET A 853 1.408 26.640 -2.698 1.00 0.00 C ATOM 249 C MET A 853 0.691 25.630 -3.542 1.00 0.00 C ATOM 250 O MET A 853 0.485 25.832 -4.750 1.00 0.00 O ATOM 251 CB MET A 853 0.771 28.019 -2.886 1.00 0.00 C ATOM 252 CG MET A 853 -0.682 28.057 -2.431 1.00 0.00 C ATOM 253 SD MET A 853 -1.473 29.646 -2.682 1.00 0.00 S ATOM 254 CE MET A 853 -3.025 29.363 -1.838 1.00 0.00 C ATOM 0 H MET A 853 3.054 26.416 -3.947 1.00 0.00 H new ATOM 0 HA MET A 853 1.305 26.379 -1.645 1.00 0.00 H new ATOM 0 HB2 MET A 853 1.343 28.759 -2.327 1.00 0.00 H new ATOM 0 HB3 MET A 853 0.827 28.301 -3.937 1.00 0.00 H new ATOM 0 HG2 MET A 853 -1.242 27.293 -2.969 1.00 0.00 H new ATOM 0 HG3 MET A 853 -0.729 27.800 -1.373 1.00 0.00 H new ATOM 0 HE1 MET A 853 -3.641 30.260 -1.899 1.00 0.00 H new ATOM 0 HE2 MET A 853 -3.548 28.530 -2.308 1.00 0.00 H new ATOM 0 HE3 MET A 853 -2.832 29.126 -0.792 1.00 0.00 H new ATOM 264 N ALA A 854 0.404 24.524 -2.940 1.00 0.00 N ATOM 265 CA ALA A 854 -0.412 23.497 -3.536 1.00 0.00 C ATOM 266 C ALA A 854 -1.290 22.898 -2.458 1.00 0.00 C ATOM 267 O ALA A 854 -2.030 21.931 -2.700 1.00 0.00 O ATOM 268 CB ALA A 854 0.457 22.418 -4.175 1.00 0.00 C ATOM 0 H ALA A 854 0.732 24.296 -2.002 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.030 23.931 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.180 21.653 -4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 854 1.081 22.865 -4.949 1.00 0.00 H new ATOM 0 HB3 ALA A 854 1.092 21.964 -3.414 1.00 0.00 H new ATOM 274 N MET A 855 -1.239 23.541 -1.260 1.00 0.00 N ATOM 275 CA MET A 855 -1.911 23.064 -0.037 1.00 0.00 C ATOM 276 C MET A 855 -1.258 21.760 0.379 1.00 0.00 C ATOM 277 O MET A 855 -1.918 20.855 0.905 1.00 0.00 O ATOM 278 CB MET A 855 -3.426 22.888 -0.249 1.00 0.00 C ATOM 279 CG MET A 855 -4.161 24.164 -0.623 1.00 0.00 C ATOM 280 SD MET A 855 -5.910 23.884 -0.991 1.00 0.00 S ATOM 281 CE MET A 855 -6.519 23.299 0.597 1.00 0.00 C ATOM 0 H MET A 855 -0.724 24.411 -1.123 1.00 0.00 H new ATOM 0 HA MET A 855 -1.800 23.806 0.753 1.00 0.00 H new ATOM 0 HB2 MET A 855 -3.587 22.148 -1.033 1.00 0.00 H new ATOM 0 HB3 MET A 855 -3.864 22.486 0.665 1.00 0.00 H new ATOM 0 HG2 MET A 855 -4.077 24.879 0.195 1.00 0.00 H new ATOM 0 HG3 MET A 855 -3.679 24.614 -1.491 1.00 0.00 H new ATOM 0 HE1 MET A 855 -7.608 23.339 0.606 1.00 0.00 H new ATOM 0 HE2 MET A 855 -6.193 22.271 0.756 1.00 0.00 H new ATOM 0 HE3 MET A 855 -6.126 23.931 1.393 1.00 0.00 H new ATOM 291 N ALA A 856 0.077 21.730 0.169 1.00 0.00 N ATOM 292 CA ALA A 856 0.948 20.574 0.370 1.00 0.00 C ATOM 293 C ALA A 856 0.684 19.541 -0.713 1.00 0.00 C ATOM 294 O ALA A 856 -0.227 19.698 -1.531 1.00 0.00 O ATOM 295 CB ALA A 856 0.826 19.979 1.781 1.00 0.00 C ATOM 0 H ALA A 856 0.588 22.550 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 856 1.982 20.910 0.287 1.00 0.00 H new ATOM 0 HB1 ALA A 856 1.495 19.123 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 856 1.097 20.734 2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 856 -0.201 19.657 1.952 1.00 0.00 H new ATOM 301 N TYR A 857 1.462 18.499 -0.752 1.00 0.00 N ATOM 302 CA TYR A 857 1.253 17.457 -1.742 1.00 0.00 C ATOM 303 C TYR A 857 0.216 16.445 -1.294 1.00 0.00 C ATOM 304 O TYR A 857 0.407 15.237 -1.407 1.00 0.00 O ATOM 305 CB TYR A 857 2.532 16.756 -2.110 1.00 0.00 C ATOM 306 CG TYR A 857 3.485 17.573 -2.956 1.00 0.00 C ATOM 307 CD1 TYR A 857 3.179 17.866 -4.280 1.00 0.00 C ATOM 308 CD2 TYR A 857 4.681 18.044 -2.443 1.00 0.00 C ATOM 309 CE1 TYR A 857 4.042 18.599 -5.065 1.00 0.00 C ATOM 310 CE2 TYR A 857 5.552 18.775 -3.222 1.00 0.00 C ATOM 311 CZ TYR A 857 5.226 19.050 -4.532 1.00 0.00 C ATOM 312 OH TYR A 857 6.092 19.767 -5.311 1.00 0.00 O ATOM 0 H TYR A 857 2.245 18.339 -0.119 1.00 0.00 H new ATOM 0 HA TYR A 857 0.876 17.962 -2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 857 3.044 16.461 -1.194 1.00 0.00 H new ATOM 0 HB3 TYR A 857 2.286 15.840 -2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 857 2.249 17.513 -4.700 1.00 0.00 H new ATOM 0 HD2 TYR A 857 4.936 17.835 -1.415 1.00 0.00 H new ATOM 0 HE1 TYR A 857 3.790 18.818 -6.092 1.00 0.00 H new ATOM 0 HE2 TYR A 857 6.484 19.130 -2.808 1.00 0.00 H new ATOM 0 HH TYR A 857 6.881 20.012 -4.783 1.00 0.00 H new ATOM 322 N VAL A 858 -0.883 16.946 -0.850 1.00 0.00 N ATOM 323 CA VAL A 858 -1.984 16.147 -0.382 1.00 0.00 C ATOM 324 C VAL A 858 -3.306 16.889 -0.573 1.00 0.00 C ATOM 325 O VAL A 858 -3.496 18.012 -0.082 1.00 0.00 O ATOM 326 CB VAL A 858 -1.801 15.667 1.102 1.00 0.00 C ATOM 327 CG1 VAL A 858 -1.601 16.838 2.062 1.00 0.00 C ATOM 328 CG2 VAL A 858 -2.975 14.789 1.547 1.00 0.00 C ATOM 0 H VAL A 858 -1.055 17.950 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 858 -2.004 15.243 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 858 -0.893 15.064 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 858 -1.479 16.460 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 858 -0.711 17.397 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 858 -2.471 17.494 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 858 -2.821 14.471 2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 858 -3.902 15.358 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 858 -3.038 13.912 0.903 1.00 0.00 H new ATOM 338 N ILE A 859 -4.180 16.289 -1.327 1.00 0.00 N ATOM 339 CA ILE A 859 -5.490 16.827 -1.576 1.00 0.00 C ATOM 340 C ILE A 859 -6.494 15.874 -0.969 1.00 0.00 C ATOM 341 O ILE A 859 -6.116 14.777 -0.540 1.00 0.00 O ATOM 342 CB ILE A 859 -5.783 17.024 -3.101 1.00 0.00 C ATOM 343 CG1 ILE A 859 -5.755 15.679 -3.855 1.00 0.00 C ATOM 344 CG2 ILE A 859 -4.787 18.011 -3.716 1.00 0.00 C ATOM 345 CD1 ILE A 859 -6.136 15.775 -5.322 1.00 0.00 C ATOM 0 H ILE A 859 -4.003 15.400 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 859 -5.557 17.817 -1.126 1.00 0.00 H new ATOM 0 HB ILE A 859 -6.786 17.438 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 859 -4.754 15.254 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 859 -6.434 14.985 -3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 859 -5.006 18.136 -4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 859 -4.871 18.974 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 859 -3.774 17.627 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 859 -6.090 14.785 -5.775 1.00 0.00 H new ATOM 0 HD12 ILE A 859 -7.149 16.168 -5.410 1.00 0.00 H new ATOM 0 HD13 ILE A 859 -5.443 16.442 -5.835 1.00 0.00 H new ATOM 357 N ARG A 860 -7.734 16.249 -0.901 1.00 0.00 N ATOM 358 CA ARG A 860 -8.694 15.355 -0.328 1.00 0.00 C ATOM 359 C ARG A 860 -9.619 14.770 -1.362 1.00 0.00 C ATOM 360 O ARG A 860 -10.155 15.476 -2.227 1.00 0.00 O ATOM 361 CB ARG A 860 -9.456 15.963 0.839 1.00 0.00 C ATOM 362 CG ARG A 860 -10.269 17.176 0.511 1.00 0.00 C ATOM 363 CD ARG A 860 -10.967 17.676 1.742 1.00 0.00 C ATOM 364 NE ARG A 860 -10.029 18.102 2.795 1.00 0.00 N ATOM 365 CZ ARG A 860 -10.394 18.629 3.972 1.00 0.00 C ATOM 366 NH1 ARG A 860 -11.684 18.861 4.236 1.00 0.00 N ATOM 367 NH2 ARG A 860 -9.467 18.931 4.878 1.00 0.00 N ATOM 0 H ARG A 860 -8.100 17.144 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 860 -8.116 14.529 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 860 -10.119 15.203 1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 860 -8.742 16.225 1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 860 -9.625 17.957 0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 860 -11.001 16.935 -0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 860 -11.611 18.514 1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 860 -11.613 16.890 2.133 1.00 0.00 H new ATOM 0 HE ARG A 860 -9.031 17.988 2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 860 -12.395 18.637 3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 860 -11.957 19.262 5.133 1.00 0.00 H new ATOM 0 HH21 ARG A 860 -8.482 18.761 4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 860 -9.742 19.332 5.775 1.00 0.00 H new ATOM 381 N ASP A 861 -9.760 13.485 -1.273 1.00 0.00 N ATOM 382 CA ASP A 861 -10.622 12.680 -2.108 1.00 0.00 C ATOM 383 C ASP A 861 -12.068 12.927 -1.753 1.00 0.00 C ATOM 384 O ASP A 861 -12.369 13.487 -0.692 1.00 0.00 O ATOM 385 CB ASP A 861 -10.229 11.204 -1.910 1.00 0.00 C ATOM 386 CG ASP A 861 -11.258 10.168 -2.276 1.00 0.00 C ATOM 387 OD1 ASP A 861 -11.366 9.791 -3.455 1.00 0.00 O ATOM 388 OD2 ASP A 861 -11.954 9.705 -1.371 1.00 0.00 O ATOM 0 H ASP A 861 -9.254 12.931 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 861 -10.503 12.945 -3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 861 -9.331 11.011 -2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 861 -9.963 11.062 -0.863 1.00 0.00 H new ATOM 393 N GLU A 862 -12.936 12.500 -2.613 1.00 0.00 N ATOM 394 CA GLU A 862 -14.369 12.695 -2.476 1.00 0.00 C ATOM 395 C GLU A 862 -14.924 12.048 -1.190 1.00 0.00 C ATOM 396 O GLU A 862 -15.840 12.572 -0.577 1.00 0.00 O ATOM 397 CB GLU A 862 -15.088 12.159 -3.710 1.00 0.00 C ATOM 398 CG GLU A 862 -14.847 10.684 -3.967 1.00 0.00 C ATOM 399 CD GLU A 862 -15.505 10.203 -5.214 1.00 0.00 C ATOM 400 OE1 GLU A 862 -16.734 10.104 -5.246 1.00 0.00 O ATOM 401 OE2 GLU A 862 -14.797 9.944 -6.207 1.00 0.00 O ATOM 0 H GLU A 862 -12.675 11.991 -3.457 1.00 0.00 H new ATOM 0 HA GLU A 862 -14.553 13.766 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 862 -16.159 12.328 -3.597 1.00 0.00 H new ATOM 0 HB3 GLU A 862 -14.766 12.728 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 862 -13.774 10.501 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 862 -15.217 10.107 -3.120 1.00 0.00 H new ATOM 408 N TRP A 863 -14.356 10.929 -0.785 1.00 0.00 N ATOM 409 CA TRP A 863 -14.770 10.234 0.405 1.00 0.00 C ATOM 410 C TRP A 863 -14.023 10.761 1.628 1.00 0.00 C ATOM 411 O TRP A 863 -14.213 10.273 2.741 1.00 0.00 O ATOM 412 CB TRP A 863 -14.525 8.728 0.252 1.00 0.00 C ATOM 413 CG TRP A 863 -15.132 8.124 -0.986 1.00 0.00 C ATOM 414 CD1 TRP A 863 -14.493 7.390 -1.943 1.00 0.00 C ATOM 415 CD2 TRP A 863 -16.488 8.234 -1.411 1.00 0.00 C ATOM 416 NE1 TRP A 863 -15.395 7.004 -2.915 1.00 0.00 N ATOM 417 CE2 TRP A 863 -16.623 7.513 -2.606 1.00 0.00 C ATOM 418 CE3 TRP A 863 -17.592 8.860 -0.877 1.00 0.00 C ATOM 419 CZ2 TRP A 863 -17.837 7.408 -3.276 1.00 0.00 C ATOM 420 CZ3 TRP A 863 -18.800 8.766 -1.533 1.00 0.00 C ATOM 421 CH2 TRP A 863 -18.916 8.037 -2.722 1.00 0.00 C ATOM 0 H TRP A 863 -13.588 10.478 -1.281 1.00 0.00 H new ATOM 0 HA TRP A 863 -15.836 10.409 0.548 1.00 0.00 H new ATOM 0 HB2 TRP A 863 -13.450 8.546 0.241 1.00 0.00 H new ATOM 0 HB3 TRP A 863 -14.927 8.216 1.126 1.00 0.00 H new ATOM 0 HD1 TRP A 863 -13.441 7.148 -1.941 1.00 0.00 H new ATOM 0 HE1 TRP A 863 -15.179 6.432 -3.731 1.00 0.00 H new ATOM 0 HE3 TRP A 863 -17.512 9.418 0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 863 -17.924 6.851 -4.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 863 -19.668 9.261 -1.124 1.00 0.00 H new ATOM 0 HH2 TRP A 863 -19.877 7.970 -3.211 1.00 0.00 H new ATOM 432 N GLY A 864 -13.174 11.749 1.422 1.00 0.00 N ATOM 433 CA GLY A 864 -12.445 12.340 2.526 1.00 0.00 C ATOM 434 C GLY A 864 -11.092 11.698 2.735 1.00 0.00 C ATOM 435 O GLY A 864 -10.432 11.918 3.764 1.00 0.00 O ATOM 0 H GLY A 864 -12.973 12.156 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 864 -12.313 13.406 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 864 -13.034 12.245 3.438 1.00 0.00 H new ATOM 439 N ASN A 865 -10.671 10.896 1.779 1.00 0.00 N ATOM 440 CA ASN A 865 -9.364 10.256 1.855 1.00 0.00 C ATOM 441 C ASN A 865 -8.300 11.263 1.503 1.00 0.00 C ATOM 442 O ASN A 865 -8.553 12.193 0.749 1.00 0.00 O ATOM 443 CB ASN A 865 -9.225 9.050 0.887 1.00 0.00 C ATOM 444 CG ASN A 865 -10.162 7.896 1.163 1.00 0.00 C ATOM 445 OD1 ASN A 865 -9.856 7.029 1.976 1.00 0.00 O ATOM 446 ND2 ASN A 865 -11.272 7.832 0.459 1.00 0.00 N ATOM 0 H ASN A 865 -11.208 10.669 0.942 1.00 0.00 H new ATOM 0 HA ASN A 865 -9.251 9.885 2.874 1.00 0.00 H new ATOM 0 HB2 ASN A 865 -9.394 9.400 -0.131 1.00 0.00 H new ATOM 0 HB3 ASN A 865 -8.199 8.684 0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 865 -11.908 7.044 0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 865 -11.496 8.570 -0.208 1.00 0.00 H new ATOM 453 N GLN A 866 -7.142 11.111 2.052 1.00 0.00 N ATOM 454 CA GLN A 866 -6.039 11.956 1.688 1.00 0.00 C ATOM 455 C GLN A 866 -5.379 11.382 0.482 1.00 0.00 C ATOM 456 O GLN A 866 -5.015 10.202 0.468 1.00 0.00 O ATOM 457 CB GLN A 866 -5.030 12.076 2.800 1.00 0.00 C ATOM 458 CG GLN A 866 -5.504 12.855 3.980 1.00 0.00 C ATOM 459 CD GLN A 866 -4.499 12.821 5.094 1.00 0.00 C ATOM 460 OE1 GLN A 866 -4.527 11.925 5.938 1.00 0.00 O ATOM 461 NE2 GLN A 866 -3.634 13.785 5.147 1.00 0.00 N ATOM 0 H GLN A 866 -6.927 10.408 2.759 1.00 0.00 H new ATOM 0 HA GLN A 866 -6.424 12.955 1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 866 -4.749 11.076 3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 866 -4.129 12.547 2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 866 -5.690 13.888 3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 866 -6.453 12.448 4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 866 -3.637 14.513 4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 866 -2.951 13.816 5.904 1.00 0.00 H new ATOM 470 N ILE A 867 -5.262 12.180 -0.514 1.00 0.00 N ATOM 471 CA ILE A 867 -4.639 11.793 -1.735 1.00 0.00 C ATOM 472 C ILE A 867 -3.378 12.578 -1.887 1.00 0.00 C ATOM 473 O ILE A 867 -3.411 13.800 -2.016 1.00 0.00 O ATOM 474 CB ILE A 867 -5.552 12.063 -2.960 1.00 0.00 C ATOM 475 CG1 ILE A 867 -6.849 11.248 -2.877 1.00 0.00 C ATOM 476 CG2 ILE A 867 -4.818 11.791 -4.268 1.00 0.00 C ATOM 477 CD1 ILE A 867 -6.646 9.745 -2.825 1.00 0.00 C ATOM 0 H ILE A 867 -5.602 13.142 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 867 -4.439 10.722 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 867 -5.820 13.119 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 867 -7.402 11.558 -1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 867 -7.470 11.488 -3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 867 -5.485 11.989 -5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 867 -3.945 12.440 -4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 867 -4.499 10.749 -4.296 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -7.615 9.249 -2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -6.123 9.417 -3.723 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -6.054 9.488 -1.947 1.00 0.00 H new ATOM 489 N TRP A 868 -2.287 11.913 -1.842 1.00 0.00 N ATOM 490 CA TRP A 868 -1.038 12.565 -2.024 1.00 0.00 C ATOM 491 C TRP A 868 -0.776 12.784 -3.485 1.00 0.00 C ATOM 492 O TRP A 868 -1.329 12.102 -4.332 1.00 0.00 O ATOM 493 CB TRP A 868 0.099 11.805 -1.354 1.00 0.00 C ATOM 494 CG TRP A 868 0.129 11.978 0.138 1.00 0.00 C ATOM 495 CD1 TRP A 868 0.927 12.836 0.830 1.00 0.00 C ATOM 496 CD2 TRP A 868 -0.680 11.305 1.120 1.00 0.00 C ATOM 497 NE1 TRP A 868 0.697 12.720 2.177 1.00 0.00 N ATOM 498 CE2 TRP A 868 -0.287 11.792 2.380 1.00 0.00 C ATOM 499 CE3 TRP A 868 -1.685 10.336 1.060 1.00 0.00 C ATOM 500 CZ2 TRP A 868 -0.862 11.346 3.562 1.00 0.00 C ATOM 501 CZ3 TRP A 868 -2.255 9.899 2.235 1.00 0.00 C ATOM 502 CH2 TRP A 868 -1.842 10.404 3.469 1.00 0.00 C ATOM 0 H TRP A 868 -2.228 10.908 -1.679 1.00 0.00 H new ATOM 0 HA TRP A 868 -1.088 13.539 -1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 868 0.006 10.745 -1.588 1.00 0.00 H new ATOM 0 HB3 TRP A 868 1.048 12.142 -1.771 1.00 0.00 H new ATOM 0 HD1 TRP A 868 1.640 13.512 0.382 1.00 0.00 H new ATOM 0 HE1 TRP A 868 1.181 13.241 2.908 1.00 0.00 H new ATOM 0 HE3 TRP A 868 -2.009 9.937 0.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 868 -0.544 11.731 4.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 868 -3.035 9.153 2.201 1.00 0.00 H new ATOM 0 HH2 TRP A 868 -2.310 10.039 4.371 1.00 0.00 H new ATOM 513 N ILE A 869 -0.027 13.771 -3.775 1.00 0.00 N ATOM 514 CA ILE A 869 0.358 14.060 -5.119 1.00 0.00 C ATOM 515 C ILE A 869 1.842 13.820 -5.209 1.00 0.00 C ATOM 516 O ILE A 869 2.593 14.362 -4.403 1.00 0.00 O ATOM 517 CB ILE A 869 0.056 15.544 -5.507 1.00 0.00 C ATOM 518 CG1 ILE A 869 -1.431 15.910 -5.273 1.00 0.00 C ATOM 519 CG2 ILE A 869 0.452 15.821 -6.962 1.00 0.00 C ATOM 520 CD1 ILE A 869 -2.429 15.098 -6.081 1.00 0.00 C ATOM 0 H ILE A 869 0.349 14.419 -3.083 1.00 0.00 H new ATOM 0 HA ILE A 869 -0.206 13.426 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 869 0.659 16.176 -4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 869 -1.657 15.786 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 869 -1.571 16.965 -5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 869 0.232 16.860 -7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 869 1.518 15.636 -7.090 1.00 0.00 H new ATOM 0 HG23 ILE A 869 -0.113 15.164 -7.624 1.00 0.00 H new ATOM 0 HD11 ILE A 869 -3.441 15.429 -5.847 1.00 0.00 H new ATOM 0 HD12 ILE A 869 -2.237 15.240 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 869 -2.326 14.042 -5.832 1.00 0.00 H new ATOM 532 N CYS A 870 2.257 12.988 -6.137 1.00 0.00 N ATOM 533 CA CYS A 870 3.650 12.715 -6.323 1.00 0.00 C ATOM 534 C CYS A 870 4.306 13.941 -6.927 1.00 0.00 C ATOM 535 O CYS A 870 3.911 14.385 -8.013 1.00 0.00 O ATOM 536 CB CYS A 870 3.831 11.501 -7.254 1.00 0.00 C ATOM 537 SG CYS A 870 5.554 11.017 -7.644 1.00 0.00 S ATOM 0 H CYS A 870 1.638 12.489 -6.776 1.00 0.00 H new ATOM 0 HA CYS A 870 4.114 12.483 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 870 3.331 10.646 -6.800 1.00 0.00 H new ATOM 0 HB3 CYS A 870 3.315 11.710 -8.191 1.00 0.00 H new ATOM 542 N PRO A 871 5.306 14.519 -6.252 1.00 0.00 N ATOM 543 CA PRO A 871 6.028 15.667 -6.764 1.00 0.00 C ATOM 544 C PRO A 871 6.861 15.301 -7.995 1.00 0.00 C ATOM 545 O PRO A 871 7.350 16.174 -8.708 1.00 0.00 O ATOM 546 CB PRO A 871 6.949 16.072 -5.605 1.00 0.00 C ATOM 547 CG PRO A 871 6.416 15.369 -4.410 1.00 0.00 C ATOM 548 CD PRO A 871 5.791 14.118 -4.920 1.00 0.00 C ATOM 0 HA PRO A 871 5.356 16.465 -7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 871 7.981 15.781 -5.804 1.00 0.00 H new ATOM 0 HB3 PRO A 871 6.945 17.152 -5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 871 7.212 15.147 -3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 871 5.685 15.986 -3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 871 6.510 13.301 -4.980 1.00 0.00 H new ATOM 0 HD3 PRO A 871 4.978 13.780 -4.278 1.00 0.00 H new ATOM 556 N GLY A 872 7.007 14.010 -8.240 1.00 0.00 N ATOM 557 CA GLY A 872 7.774 13.555 -9.359 1.00 0.00 C ATOM 558 C GLY A 872 7.033 13.711 -10.668 1.00 0.00 C ATOM 559 O GLY A 872 7.546 14.317 -11.604 1.00 0.00 O ATOM 0 H GLY A 872 6.600 13.267 -7.672 1.00 0.00 H new ATOM 0 HA2 GLY A 872 8.709 14.113 -9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 872 8.035 12.506 -9.215 1.00 0.00 H new ATOM 563 N CYS A 873 5.815 13.215 -10.722 1.00 0.00 N ATOM 564 CA CYS A 873 5.066 13.209 -11.958 1.00 0.00 C ATOM 565 C CYS A 873 3.923 14.220 -11.955 1.00 0.00 C ATOM 566 O CYS A 873 3.442 14.612 -13.022 1.00 0.00 O ATOM 567 CB CYS A 873 4.494 11.829 -12.130 1.00 0.00 C ATOM 568 SG CYS A 873 3.535 11.310 -10.695 1.00 0.00 S ATOM 0 H CYS A 873 5.324 12.811 -9.924 1.00 0.00 H new ATOM 0 HA CYS A 873 5.736 13.484 -12.772 1.00 0.00 H new ATOM 0 HB2 CYS A 873 3.860 11.808 -13.016 1.00 0.00 H new ATOM 0 HB3 CYS A 873 5.304 11.120 -12.300 1.00 0.00 H new ATOM 573 N ASN A 874 3.498 14.609 -10.746 1.00 0.00 N ATOM 574 CA ASN A 874 2.331 15.482 -10.495 1.00 0.00 C ATOM 575 C ASN A 874 1.033 14.690 -10.543 1.00 0.00 C ATOM 576 O ASN A 874 -0.063 15.268 -10.551 1.00 0.00 O ATOM 577 CB ASN A 874 2.251 16.737 -11.405 1.00 0.00 C ATOM 578 CG ASN A 874 3.292 17.815 -11.110 1.00 0.00 C ATOM 579 OD1 ASN A 874 4.463 17.432 -10.664 1.00 0.00 O flip ATOM 580 ND2 ASN A 874 3.035 19.002 -11.307 1.00 0.00 N flip ATOM 0 H ASN A 874 3.966 14.320 -9.887 1.00 0.00 H new ATOM 0 HA ASN A 874 2.479 15.869 -9.487 1.00 0.00 H new ATOM 0 HB2 ASN A 874 2.360 16.422 -12.443 1.00 0.00 H new ATOM 0 HB3 ASN A 874 1.258 17.176 -11.307 1.00 0.00 H new ATOM 0 HD21 ASN A 874 2.115 19.274 -11.655 1.00 0.00 H new ATOM 0 HD22 ASN A 874 3.742 19.714 -11.123 1.00 0.00 H new ATOM 587 N LYS A 875 1.148 13.371 -10.538 1.00 0.00 N ATOM 588 CA LYS A 875 -0.007 12.505 -10.522 1.00 0.00 C ATOM 589 C LYS A 875 -0.387 12.208 -9.083 1.00 0.00 C ATOM 590 O LYS A 875 0.490 12.112 -8.206 1.00 0.00 O ATOM 591 CB LYS A 875 0.267 11.178 -11.243 1.00 0.00 C ATOM 592 CG LYS A 875 0.593 11.294 -12.719 1.00 0.00 C ATOM 593 CD LYS A 875 0.866 9.922 -13.302 1.00 0.00 C ATOM 594 CE LYS A 875 1.144 9.987 -14.789 1.00 0.00 C ATOM 595 NZ LYS A 875 1.374 8.644 -15.364 1.00 0.00 N ATOM 0 H LYS A 875 2.041 12.879 -10.545 1.00 0.00 H new ATOM 0 HA LYS A 875 -0.817 13.017 -11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 875 1.096 10.677 -10.744 1.00 0.00 H new ATOM 0 HB3 LYS A 875 -0.607 10.536 -11.131 1.00 0.00 H new ATOM 0 HG2 LYS A 875 -0.237 11.763 -13.247 1.00 0.00 H new ATOM 0 HG3 LYS A 875 1.463 11.936 -12.858 1.00 0.00 H new ATOM 0 HD2 LYS A 875 1.719 9.474 -12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 875 0.009 9.273 -13.121 1.00 0.00 H new ATOM 0 HE2 LYS A 875 0.303 10.460 -15.296 1.00 0.00 H new ATOM 0 HE3 LYS A 875 2.018 10.614 -14.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 875 1.561 8.730 -16.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 875 2.192 8.202 -14.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 875 0.531 8.054 -15.215 1.00 0.00 H new ATOM 609 N PRO A 876 -1.678 12.088 -8.809 1.00 0.00 N ATOM 610 CA PRO A 876 -2.170 11.763 -7.489 1.00 0.00 C ATOM 611 C PRO A 876 -1.968 10.293 -7.124 1.00 0.00 C ATOM 612 O PRO A 876 -1.703 9.437 -7.975 1.00 0.00 O ATOM 613 CB PRO A 876 -3.654 12.089 -7.572 1.00 0.00 C ATOM 614 CG PRO A 876 -3.996 11.891 -8.989 1.00 0.00 C ATOM 615 CD PRO A 876 -2.778 12.290 -9.769 1.00 0.00 C ATOM 0 HA PRO A 876 -1.637 12.317 -6.717 1.00 0.00 H new ATOM 0 HB2 PRO A 876 -4.241 11.435 -6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 876 -3.854 13.112 -7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 876 -4.261 10.852 -9.185 1.00 0.00 H new ATOM 0 HG3 PRO A 876 -4.856 12.498 -9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 876 -2.652 11.675 -10.660 1.00 0.00 H new ATOM 0 HD3 PRO A 876 -2.836 13.326 -10.102 1.00 0.00 H new ATOM 623 N ASP A 877 -2.077 10.045 -5.866 1.00 0.00 N ATOM 624 CA ASP A 877 -1.941 8.743 -5.258 1.00 0.00 C ATOM 625 C ASP A 877 -3.268 7.980 -5.279 1.00 0.00 C ATOM 626 O ASP A 877 -4.354 8.586 -5.265 1.00 0.00 O ATOM 627 CB ASP A 877 -1.449 8.931 -3.816 1.00 0.00 C ATOM 628 CG ASP A 877 -1.533 7.691 -2.974 1.00 0.00 C ATOM 629 OD1 ASP A 877 -1.064 6.617 -3.415 1.00 0.00 O ATOM 630 OD2 ASP A 877 -2.076 7.767 -1.864 1.00 0.00 O ATOM 0 H ASP A 877 -2.274 10.778 -5.185 1.00 0.00 H new ATOM 0 HA ASP A 877 -1.221 8.152 -5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 877 -0.414 9.273 -3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 877 -2.035 9.719 -3.343 1.00 0.00 H new ATOM 635 N ASP A 878 -3.173 6.671 -5.358 1.00 0.00 N ATOM 636 CA ASP A 878 -4.341 5.769 -5.323 1.00 0.00 C ATOM 637 C ASP A 878 -4.258 4.869 -4.101 1.00 0.00 C ATOM 638 O ASP A 878 -5.112 3.985 -3.894 1.00 0.00 O ATOM 639 CB ASP A 878 -4.392 4.843 -6.557 1.00 0.00 C ATOM 640 CG ASP A 878 -4.817 5.488 -7.852 1.00 0.00 C ATOM 641 OD1 ASP A 878 -3.954 5.949 -8.617 1.00 0.00 O ATOM 642 OD2 ASP A 878 -6.030 5.467 -8.169 1.00 0.00 O ATOM 0 H ASP A 878 -2.282 6.182 -5.450 1.00 0.00 H new ATOM 0 HA ASP A 878 -5.228 6.403 -5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 878 -3.404 4.406 -6.699 1.00 0.00 H new ATOM 0 HB3 ASP A 878 -5.076 4.022 -6.342 1.00 0.00 H new ATOM 647 N GLY A 879 -3.257 5.102 -3.299 1.00 0.00 N ATOM 648 CA GLY A 879 -2.922 4.237 -2.205 1.00 0.00 C ATOM 649 C GLY A 879 -1.805 3.334 -2.672 1.00 0.00 C ATOM 650 O GLY A 879 -1.593 2.232 -2.149 1.00 0.00 O ATOM 0 H GLY A 879 -2.642 5.911 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 879 -2.609 4.818 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 879 -3.788 3.650 -1.900 1.00 0.00 H new ATOM 654 N SER A 880 -1.073 3.850 -3.616 1.00 0.00 N ATOM 655 CA SER A 880 -0.080 3.138 -4.367 1.00 0.00 C ATOM 656 C SER A 880 1.241 3.015 -3.580 1.00 0.00 C ATOM 657 O SER A 880 1.379 3.621 -2.499 1.00 0.00 O ATOM 658 CB SER A 880 0.108 3.915 -5.673 1.00 0.00 C ATOM 659 OG SER A 880 -1.148 4.063 -6.332 1.00 0.00 O ATOM 0 H SER A 880 -1.157 4.827 -3.897 1.00 0.00 H new ATOM 0 HA SER A 880 -0.398 2.115 -4.567 1.00 0.00 H new ATOM 0 HB2 SER A 880 0.538 4.895 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 880 0.810 3.390 -6.321 1.00 0.00 H new ATOM 0 HG SER A 880 -1.023 4.562 -7.166 1.00 0.00 H new ATOM 665 N PRO A 881 2.221 2.196 -4.072 1.00 0.00 N ATOM 666 CA PRO A 881 3.504 2.087 -3.421 1.00 0.00 C ATOM 667 C PRO A 881 4.270 3.369 -3.601 1.00 0.00 C ATOM 668 O PRO A 881 4.678 3.738 -4.723 1.00 0.00 O ATOM 669 CB PRO A 881 4.220 0.935 -4.124 1.00 0.00 C ATOM 670 CG PRO A 881 3.245 0.337 -5.068 1.00 0.00 C ATOM 671 CD PRO A 881 2.153 1.347 -5.280 1.00 0.00 C ATOM 0 HA PRO A 881 3.412 1.907 -2.350 1.00 0.00 H new ATOM 0 HB2 PRO A 881 5.102 1.294 -4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 881 4.563 0.194 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 881 3.728 0.089 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 881 2.838 -0.590 -4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 881 2.316 1.928 -6.188 1.00 0.00 H new ATOM 0 HD3 PRO A 881 1.179 0.868 -5.379 1.00 0.00 H new ATOM 679 N MET A 882 4.393 4.089 -2.539 1.00 0.00 N ATOM 680 CA MET A 882 5.063 5.356 -2.589 1.00 0.00 C ATOM 681 C MET A 882 6.161 5.401 -1.566 1.00 0.00 C ATOM 682 O MET A 882 6.155 4.623 -0.597 1.00 0.00 O ATOM 683 CB MET A 882 4.082 6.509 -2.355 1.00 0.00 C ATOM 684 CG MET A 882 2.868 6.469 -3.258 1.00 0.00 C ATOM 685 SD MET A 882 1.817 7.907 -3.090 1.00 0.00 S ATOM 686 CE MET A 882 2.757 9.134 -3.944 1.00 0.00 C ATOM 0 H MET A 882 4.039 3.826 -1.619 1.00 0.00 H new ATOM 0 HA MET A 882 5.494 5.471 -3.584 1.00 0.00 H new ATOM 0 HB2 MET A 882 3.752 6.488 -1.316 1.00 0.00 H new ATOM 0 HB3 MET A 882 4.604 7.454 -2.505 1.00 0.00 H new ATOM 0 HG2 MET A 882 3.196 6.386 -4.294 1.00 0.00 H new ATOM 0 HG3 MET A 882 2.287 5.574 -3.035 1.00 0.00 H new ATOM 0 HE1 MET A 882 2.832 10.029 -3.327 1.00 0.00 H new ATOM 0 HE2 MET A 882 3.756 8.749 -4.149 1.00 0.00 H new ATOM 0 HE3 MET A 882 2.263 9.382 -4.884 1.00 0.00 H new ATOM 696 N ILE A 883 7.090 6.286 -1.776 1.00 0.00 N ATOM 697 CA ILE A 883 8.192 6.475 -0.887 1.00 0.00 C ATOM 698 C ILE A 883 8.230 7.960 -0.509 1.00 0.00 C ATOM 699 O ILE A 883 8.114 8.832 -1.367 1.00 0.00 O ATOM 700 CB ILE A 883 9.527 5.958 -1.527 1.00 0.00 C ATOM 701 CG1 ILE A 883 10.693 6.011 -0.534 1.00 0.00 C ATOM 702 CG2 ILE A 883 9.872 6.727 -2.803 1.00 0.00 C ATOM 703 CD1 ILE A 883 11.893 5.210 -0.980 1.00 0.00 C ATOM 0 H ILE A 883 7.101 6.907 -2.585 1.00 0.00 H new ATOM 0 HA ILE A 883 8.071 5.887 0.023 1.00 0.00 H new ATOM 0 HB ILE A 883 9.364 4.914 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 883 10.991 7.049 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 883 10.355 5.639 0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 883 10.803 6.342 -3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 883 9.070 6.603 -3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 883 9.989 7.785 -2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 883 12.682 5.290 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 883 11.609 4.164 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 883 12.255 5.597 -1.933 1.00 0.00 H new ATOM 715 N GLY A 884 8.307 8.235 0.767 1.00 0.00 N ATOM 716 CA GLY A 884 8.171 9.609 1.232 1.00 0.00 C ATOM 717 C GLY A 884 9.461 10.252 1.595 1.00 0.00 C ATOM 718 O GLY A 884 9.497 11.092 2.509 1.00 0.00 O ATOM 0 H GLY A 884 8.461 7.544 1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 884 7.688 10.200 0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 884 7.511 9.625 2.100 1.00 0.00 H new ATOM 722 N CYS A 885 10.532 9.856 0.892 1.00 0.00 N ATOM 723 CA CYS A 885 11.868 10.368 1.132 1.00 0.00 C ATOM 724 C CYS A 885 12.244 10.123 2.604 1.00 0.00 C ATOM 725 O CYS A 885 11.631 9.272 3.301 1.00 0.00 O ATOM 726 CB CYS A 885 11.900 11.892 0.742 1.00 0.00 C ATOM 727 SG CYS A 885 13.516 12.759 0.809 1.00 0.00 S ATOM 0 H CYS A 885 10.484 9.168 0.140 1.00 0.00 H new ATOM 0 HA CYS A 885 12.608 9.853 0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 885 11.511 11.986 -0.272 1.00 0.00 H new ATOM 0 HB3 CYS A 885 11.209 12.420 1.399 1.00 0.00 H new ATOM 732 N ASP A 886 13.259 10.765 3.040 1.00 0.00 N ATOM 733 CA ASP A 886 13.602 10.776 4.419 1.00 0.00 C ATOM 734 C ASP A 886 13.767 12.186 4.880 1.00 0.00 C ATOM 735 O ASP A 886 13.922 12.444 6.065 1.00 0.00 O ATOM 736 CB ASP A 886 14.868 9.977 4.719 1.00 0.00 C ATOM 737 CG ASP A 886 14.626 8.501 4.953 1.00 0.00 C ATOM 738 OD1 ASP A 886 14.041 8.129 6.012 1.00 0.00 O ATOM 739 OD2 ASP A 886 15.036 7.675 4.116 1.00 0.00 O ATOM 0 H ASP A 886 13.887 11.307 2.446 1.00 0.00 H new ATOM 0 HA ASP A 886 12.788 10.294 4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 886 15.564 10.093 3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 886 15.351 10.399 5.600 1.00 0.00 H new ATOM 744 N ASP A 887 13.719 13.122 3.958 1.00 0.00 N ATOM 745 CA ASP A 887 13.969 14.500 4.321 1.00 0.00 C ATOM 746 C ASP A 887 12.738 15.387 4.159 1.00 0.00 C ATOM 747 O ASP A 887 12.230 15.934 5.140 1.00 0.00 O ATOM 748 CB ASP A 887 15.136 15.062 3.519 1.00 0.00 C ATOM 749 CG ASP A 887 15.635 16.373 4.067 1.00 0.00 C ATOM 750 OD1 ASP A 887 15.039 17.424 3.780 1.00 0.00 O ATOM 751 OD2 ASP A 887 16.653 16.369 4.794 1.00 0.00 O ATOM 0 H ASP A 887 13.514 12.961 2.972 1.00 0.00 H new ATOM 0 HA ASP A 887 14.225 14.503 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 887 15.952 14.339 3.516 1.00 0.00 H new ATOM 0 HB3 ASP A 887 14.828 15.199 2.483 1.00 0.00 H new ATOM 756 N CYS A 888 12.245 15.510 2.932 1.00 0.00 N ATOM 757 CA CYS A 888 11.133 16.424 2.646 1.00 0.00 C ATOM 758 C CYS A 888 9.802 15.932 3.186 1.00 0.00 C ATOM 759 O CYS A 888 8.919 16.748 3.479 1.00 0.00 O ATOM 760 CB CYS A 888 11.020 16.691 1.146 1.00 0.00 C ATOM 761 SG CYS A 888 10.800 15.209 0.122 1.00 0.00 S ATOM 0 H CYS A 888 12.591 14.995 2.122 1.00 0.00 H new ATOM 0 HA CYS A 888 11.365 17.354 3.165 1.00 0.00 H new ATOM 0 HB2 CYS A 888 10.179 17.363 0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 888 11.918 17.213 0.816 1.00 0.00 H new ATOM 766 N ASP A 889 9.664 14.600 3.291 1.00 0.00 N ATOM 767 CA ASP A 889 8.427 13.934 3.772 1.00 0.00 C ATOM 768 C ASP A 889 7.356 13.924 2.657 1.00 0.00 C ATOM 769 O ASP A 889 6.210 13.525 2.855 1.00 0.00 O ATOM 770 CB ASP A 889 7.925 14.578 5.115 1.00 0.00 C ATOM 771 CG ASP A 889 6.634 14.014 5.678 1.00 0.00 C ATOM 772 OD1 ASP A 889 6.654 12.942 6.324 1.00 0.00 O ATOM 773 OD2 ASP A 889 5.569 14.659 5.529 1.00 0.00 O ATOM 0 H ASP A 889 10.407 13.946 3.045 1.00 0.00 H new ATOM 0 HA ASP A 889 8.646 12.892 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 889 8.707 14.463 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 889 7.792 15.648 4.955 1.00 0.00 H new ATOM 778 N ASP A 890 7.763 14.306 1.455 1.00 0.00 N ATOM 779 CA ASP A 890 6.849 14.325 0.330 1.00 0.00 C ATOM 780 C ASP A 890 6.796 12.959 -0.300 1.00 0.00 C ATOM 781 O ASP A 890 7.820 12.295 -0.476 1.00 0.00 O ATOM 782 CB ASP A 890 7.193 15.392 -0.724 1.00 0.00 C ATOM 783 CG ASP A 890 7.052 16.818 -0.223 1.00 0.00 C ATOM 784 OD1 ASP A 890 6.053 17.128 0.474 1.00 0.00 O ATOM 785 OD2 ASP A 890 7.897 17.679 -0.562 1.00 0.00 O ATOM 0 H ASP A 890 8.714 14.604 1.238 1.00 0.00 H new ATOM 0 HA ASP A 890 5.869 14.597 0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 890 8.217 15.236 -1.064 1.00 0.00 H new ATOM 0 HB3 ASP A 890 6.545 15.256 -1.590 1.00 0.00 H new ATOM 790 N TRP A 891 5.617 12.550 -0.635 1.00 0.00 N ATOM 791 CA TRP A 891 5.377 11.221 -1.145 1.00 0.00 C ATOM 792 C TRP A 891 5.493 11.131 -2.641 1.00 0.00 C ATOM 793 O TRP A 891 4.674 11.667 -3.370 1.00 0.00 O ATOM 794 CB TRP A 891 4.028 10.681 -0.657 1.00 0.00 C ATOM 795 CG TRP A 891 4.049 10.358 0.796 1.00 0.00 C ATOM 796 CD1 TRP A 891 3.667 11.148 1.828 1.00 0.00 C ATOM 797 CD2 TRP A 891 4.518 9.153 1.371 1.00 0.00 C ATOM 798 NE1 TRP A 891 3.877 10.498 3.018 1.00 0.00 N ATOM 799 CE2 TRP A 891 4.402 9.271 2.762 1.00 0.00 C ATOM 800 CE3 TRP A 891 5.025 7.986 0.834 1.00 0.00 C ATOM 801 CZ2 TRP A 891 4.785 8.257 3.627 1.00 0.00 C ATOM 802 CZ3 TRP A 891 5.411 6.981 1.675 1.00 0.00 C ATOM 803 CH2 TRP A 891 5.291 7.116 3.068 1.00 0.00 C ATOM 0 H TRP A 891 4.779 13.127 -0.565 1.00 0.00 H new ATOM 0 HA TRP A 891 6.169 10.589 -0.743 1.00 0.00 H new ATOM 0 HB2 TRP A 891 3.250 11.419 -0.853 1.00 0.00 H new ATOM 0 HB3 TRP A 891 3.769 9.786 -1.224 1.00 0.00 H new ATOM 0 HD1 TRP A 891 3.258 12.142 1.729 1.00 0.00 H new ATOM 0 HE1 TRP A 891 3.672 10.874 3.944 1.00 0.00 H new ATOM 0 HE3 TRP A 891 5.115 7.870 -0.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 4.688 8.364 4.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 5.815 6.068 1.262 1.00 0.00 H new ATOM 0 HH2 TRP A 891 5.604 6.305 3.709 1.00 0.00 H new ATOM 814 N TYR A 892 6.513 10.450 -3.083 1.00 0.00 N ATOM 815 CA TYR A 892 6.756 10.216 -4.480 1.00 0.00 C ATOM 816 C TYR A 892 6.378 8.789 -4.814 1.00 0.00 C ATOM 817 O TYR A 892 6.455 7.904 -3.952 1.00 0.00 O ATOM 818 CB TYR A 892 8.236 10.378 -4.799 1.00 0.00 C ATOM 819 CG TYR A 892 8.827 11.765 -4.659 1.00 0.00 C ATOM 820 CD1 TYR A 892 9.132 12.302 -3.419 1.00 0.00 C ATOM 821 CD2 TYR A 892 9.135 12.512 -5.787 1.00 0.00 C ATOM 822 CE1 TYR A 892 9.725 13.537 -3.306 1.00 0.00 C ATOM 823 CE2 TYR A 892 9.719 13.749 -5.687 1.00 0.00 C ATOM 824 CZ TYR A 892 10.016 14.258 -4.445 1.00 0.00 C ATOM 825 OH TYR A 892 10.626 15.479 -4.341 1.00 0.00 O ATOM 0 H TYR A 892 7.214 10.033 -2.470 1.00 0.00 H new ATOM 0 HA TYR A 892 6.169 10.931 -5.055 1.00 0.00 H new ATOM 0 HB2 TYR A 892 8.797 9.705 -4.150 1.00 0.00 H new ATOM 0 HB3 TYR A 892 8.399 10.043 -5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 892 8.900 11.741 -2.526 1.00 0.00 H new ATOM 0 HD2 TYR A 892 8.910 12.111 -6.764 1.00 0.00 H new ATOM 0 HE1 TYR A 892 9.961 13.940 -2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 892 9.944 14.318 -6.577 1.00 0.00 H new ATOM 0 HH TYR A 892 11.472 15.382 -3.856 1.00 0.00 H new ATOM 835 N HIS A 893 5.970 8.557 -6.034 1.00 0.00 N ATOM 836 CA HIS A 893 5.712 7.197 -6.491 1.00 0.00 C ATOM 837 C HIS A 893 7.033 6.533 -6.797 1.00 0.00 C ATOM 838 O HIS A 893 8.020 7.207 -7.102 1.00 0.00 O ATOM 839 CB HIS A 893 4.853 7.125 -7.764 1.00 0.00 C ATOM 840 CG HIS A 893 3.441 7.590 -7.663 1.00 0.00 C ATOM 841 ND1 HIS A 893 2.992 8.645 -8.426 1.00 0.00 N ATOM 842 CD2 HIS A 893 2.407 7.070 -6.965 1.00 0.00 C ATOM 843 CE1 HIS A 893 1.677 8.735 -8.168 1.00 0.00 C ATOM 844 NE2 HIS A 893 1.293 7.802 -7.295 1.00 0.00 N ATOM 0 H HIS A 893 5.807 9.281 -6.734 1.00 0.00 H new ATOM 0 HA HIS A 893 5.162 6.700 -5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 893 5.347 7.712 -8.538 1.00 0.00 H new ATOM 0 HB3 HIS A 893 4.844 6.090 -8.107 1.00 0.00 H new ATOM 0 HD2 HIS A 893 2.449 6.237 -6.278 1.00 0.00 H new ATOM 0 HE1 HIS A 893 1.017 9.467 -8.609 1.00 0.00 H new ATOM 0 HE2 HIS A 893 0.348 7.659 -6.939 1.00 0.00 H new ATOM 852 N TRP A 894 7.040 5.235 -6.758 1.00 0.00 N ATOM 853 CA TRP A 894 8.234 4.456 -7.016 1.00 0.00 C ATOM 854 C TRP A 894 8.782 4.630 -8.449 1.00 0.00 C ATOM 855 O TRP A 894 9.946 5.037 -8.610 1.00 0.00 O ATOM 856 CB TRP A 894 8.021 2.988 -6.686 1.00 0.00 C ATOM 857 CG TRP A 894 7.913 2.677 -5.236 1.00 0.00 C ATOM 858 CD1 TRP A 894 8.012 3.540 -4.178 1.00 0.00 C ATOM 859 CD2 TRP A 894 7.721 1.393 -4.687 1.00 0.00 C ATOM 860 NE1 TRP A 894 7.874 2.851 -3.004 1.00 0.00 N ATOM 861 CE2 TRP A 894 7.694 1.525 -3.294 1.00 0.00 C ATOM 862 CE3 TRP A 894 7.560 0.135 -5.253 1.00 0.00 C ATOM 863 CZ2 TRP A 894 7.514 0.437 -2.458 1.00 0.00 C ATOM 864 CZ3 TRP A 894 7.384 -0.941 -4.431 1.00 0.00 C ATOM 865 CH2 TRP A 894 7.359 -0.789 -3.043 1.00 0.00 C ATOM 0 H TRP A 894 6.216 4.673 -6.545 1.00 0.00 H new ATOM 0 HA TRP A 894 8.998 4.852 -6.348 1.00 0.00 H new ATOM 0 HB2 TRP A 894 7.113 2.648 -7.183 1.00 0.00 H new ATOM 0 HB3 TRP A 894 8.848 2.414 -7.104 1.00 0.00 H new ATOM 0 HD1 TRP A 894 8.175 4.605 -4.258 1.00 0.00 H new ATOM 0 HE1 TRP A 894 7.901 3.257 -2.069 1.00 0.00 H new ATOM 0 HE3 TRP A 894 7.574 0.010 -6.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 894 7.497 0.552 -1.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 894 7.262 -1.924 -4.861 1.00 0.00 H new ATOM 0 HH2 TRP A 894 7.214 -1.658 -2.419 1.00 0.00 H new ATOM 876 N PRO A 895 7.965 4.381 -9.527 1.00 0.00 N ATOM 877 CA PRO A 895 8.445 4.500 -10.913 1.00 0.00 C ATOM 878 C PRO A 895 8.790 5.940 -11.307 1.00 0.00 C ATOM 879 O PRO A 895 9.327 6.187 -12.383 1.00 0.00 O ATOM 880 CB PRO A 895 7.266 3.995 -11.753 1.00 0.00 C ATOM 881 CG PRO A 895 6.080 4.214 -10.893 1.00 0.00 C ATOM 882 CD PRO A 895 6.546 3.941 -9.501 1.00 0.00 C ATOM 0 HA PRO A 895 9.368 3.938 -11.058 1.00 0.00 H new ATOM 0 HB2 PRO A 895 7.183 4.543 -12.691 1.00 0.00 H new ATOM 0 HB3 PRO A 895 7.382 2.942 -12.009 1.00 0.00 H new ATOM 0 HG2 PRO A 895 5.707 5.234 -10.990 1.00 0.00 H new ATOM 0 HG3 PRO A 895 5.264 3.548 -11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 895 5.965 4.497 -8.765 1.00 0.00 H new ATOM 0 HD3 PRO A 895 6.456 2.885 -9.246 1.00 0.00 H new ATOM 890 N CYS A 896 8.467 6.870 -10.447 1.00 0.00 N ATOM 891 CA CYS A 896 8.738 8.255 -10.676 1.00 0.00 C ATOM 892 C CYS A 896 10.120 8.655 -10.124 1.00 0.00 C ATOM 893 O CYS A 896 10.697 9.676 -10.538 1.00 0.00 O ATOM 894 CB CYS A 896 7.631 9.058 -10.011 1.00 0.00 C ATOM 895 SG CYS A 896 5.968 8.538 -10.523 1.00 0.00 S ATOM 0 H CYS A 896 8.003 6.679 -9.559 1.00 0.00 H new ATOM 0 HA CYS A 896 8.761 8.458 -11.747 1.00 0.00 H new ATOM 0 HB2 CYS A 896 7.719 8.960 -8.929 1.00 0.00 H new ATOM 0 HB3 CYS A 896 7.764 10.114 -10.247 1.00 0.00 H new ATOM 900 N VAL A 897 10.646 7.861 -9.200 1.00 0.00 N ATOM 901 CA VAL A 897 11.936 8.176 -8.584 1.00 0.00 C ATOM 902 C VAL A 897 12.993 7.095 -8.805 1.00 0.00 C ATOM 903 O VAL A 897 14.151 7.273 -8.422 1.00 0.00 O ATOM 904 CB VAL A 897 11.813 8.473 -7.076 1.00 0.00 C ATOM 905 CG1 VAL A 897 10.981 9.714 -6.844 1.00 0.00 C ATOM 906 CG2 VAL A 897 11.222 7.288 -6.332 1.00 0.00 C ATOM 0 H VAL A 897 10.209 7.004 -8.861 1.00 0.00 H new ATOM 0 HA VAL A 897 12.269 9.080 -9.095 1.00 0.00 H new ATOM 0 HB VAL A 897 12.815 8.650 -6.686 1.00 0.00 H new ATOM 0 HG11 VAL A 897 10.906 9.907 -5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 897 11.453 10.566 -7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 897 9.983 9.566 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 897 11.147 7.525 -5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 897 10.230 7.069 -6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 897 11.865 6.418 -6.464 1.00 0.00 H new ATOM 916 N GLY A 898 12.600 5.981 -9.382 1.00 0.00 N ATOM 917 CA GLY A 898 13.559 4.939 -9.677 1.00 0.00 C ATOM 918 C GLY A 898 13.509 3.800 -8.689 1.00 0.00 C ATOM 919 O GLY A 898 14.433 2.983 -8.617 1.00 0.00 O ATOM 0 H GLY A 898 11.639 5.774 -9.653 1.00 0.00 H new ATOM 0 HA2 GLY A 898 13.372 4.553 -10.679 1.00 0.00 H new ATOM 0 HA3 GLY A 898 14.562 5.366 -9.682 1.00 0.00 H new ATOM 923 N ILE A 899 12.452 3.735 -7.928 1.00 0.00 N ATOM 924 CA ILE A 899 12.287 2.672 -6.972 1.00 0.00 C ATOM 925 C ILE A 899 11.415 1.597 -7.609 1.00 0.00 C ATOM 926 O ILE A 899 10.436 1.910 -8.270 1.00 0.00 O ATOM 927 CB ILE A 899 11.625 3.175 -5.643 1.00 0.00 C ATOM 928 CG1 ILE A 899 12.492 4.230 -4.936 1.00 0.00 C ATOM 929 CG2 ILE A 899 11.336 2.012 -4.687 1.00 0.00 C ATOM 930 CD1 ILE A 899 13.766 3.705 -4.329 1.00 0.00 C ATOM 0 H ILE A 899 11.687 4.409 -7.951 1.00 0.00 H new ATOM 0 HA ILE A 899 13.269 2.277 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 899 10.680 3.641 -5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 899 12.744 5.011 -5.653 1.00 0.00 H new ATOM 0 HG13 ILE A 899 11.899 4.698 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 899 10.877 2.396 -3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 899 10.657 1.307 -5.166 1.00 0.00 H new ATOM 0 HG23 ILE A 899 12.268 1.505 -4.438 1.00 0.00 H new ATOM 0 HD11 ILE A 899 14.307 4.524 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 899 13.528 2.947 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 899 14.386 3.264 -5.109 1.00 0.00 H new ATOM 942 N MET A 900 11.808 0.362 -7.480 1.00 0.00 N ATOM 943 CA MET A 900 10.998 -0.737 -7.980 1.00 0.00 C ATOM 944 C MET A 900 10.579 -1.625 -6.839 1.00 0.00 C ATOM 945 O MET A 900 9.465 -2.139 -6.814 1.00 0.00 O ATOM 946 CB MET A 900 11.728 -1.543 -9.061 1.00 0.00 C ATOM 947 CG MET A 900 12.045 -0.744 -10.317 1.00 0.00 C ATOM 948 SD MET A 900 12.819 -1.735 -11.621 1.00 0.00 S ATOM 949 CE MET A 900 11.526 -2.937 -11.954 1.00 0.00 C ATOM 0 H MET A 900 12.682 0.080 -7.035 1.00 0.00 H new ATOM 0 HA MET A 900 10.109 -0.313 -8.447 1.00 0.00 H new ATOM 0 HB2 MET A 900 12.658 -1.932 -8.645 1.00 0.00 H new ATOM 0 HB3 MET A 900 11.117 -2.403 -9.334 1.00 0.00 H new ATOM 0 HG2 MET A 900 11.124 -0.305 -10.702 1.00 0.00 H new ATOM 0 HG3 MET A 900 12.707 0.082 -10.056 1.00 0.00 H new ATOM 0 HE1 MET A 900 11.674 -3.366 -12.945 1.00 0.00 H new ATOM 0 HE2 MET A 900 11.565 -3.729 -11.207 1.00 0.00 H new ATOM 0 HE3 MET A 900 10.554 -2.446 -11.913 1.00 0.00 H new ATOM 959 N ALA A 901 11.458 -1.780 -5.883 1.00 0.00 N ATOM 960 CA ALA A 901 11.174 -2.560 -4.715 1.00 0.00 C ATOM 961 C ALA A 901 11.472 -1.714 -3.515 1.00 0.00 C ATOM 962 O ALA A 901 12.434 -0.926 -3.537 1.00 0.00 O ATOM 963 CB ALA A 901 11.993 -3.841 -4.700 1.00 0.00 C ATOM 0 H ALA A 901 12.391 -1.367 -5.896 1.00 0.00 H new ATOM 0 HA ALA A 901 10.126 -2.859 -4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 901 11.757 -4.413 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 901 11.755 -4.435 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 901 13.055 -3.594 -4.704 1.00 0.00 H new ATOM 969 N ALA A 902 10.661 -1.845 -2.496 1.00 0.00 N ATOM 970 CA ALA A 902 10.788 -1.037 -1.303 1.00 0.00 C ATOM 971 C ALA A 902 12.117 -1.278 -0.611 1.00 0.00 C ATOM 972 O ALA A 902 12.466 -2.428 -0.340 1.00 0.00 O ATOM 973 CB ALA A 902 9.658 -1.345 -0.338 1.00 0.00 C ATOM 0 H ALA A 902 9.892 -2.515 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 902 10.739 0.009 -1.606 1.00 0.00 H new ATOM 0 HB1 ALA A 902 9.765 -0.730 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 902 8.702 -1.128 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 902 9.694 -2.398 -0.060 1.00 0.00 H new ATOM 979 N PRO A 903 12.905 -0.226 -0.357 1.00 0.00 N ATOM 980 CA PRO A 903 14.111 -0.360 0.416 1.00 0.00 C ATOM 981 C PRO A 903 13.736 -0.307 1.900 1.00 0.00 C ATOM 982 O PRO A 903 12.633 0.159 2.238 1.00 0.00 O ATOM 983 CB PRO A 903 14.935 0.867 0.008 1.00 0.00 C ATOM 984 CG PRO A 903 13.936 1.902 -0.376 1.00 0.00 C ATOM 985 CD PRO A 903 12.672 1.176 -0.782 1.00 0.00 C ATOM 0 HA PRO A 903 14.657 -1.289 0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 903 15.561 1.211 0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 903 15.600 0.635 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 903 13.741 2.577 0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 903 14.310 2.512 -1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 903 11.795 1.600 -0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 903 12.502 1.243 -1.857 1.00 0.00 H new ATOM 993 N PRO A 904 14.586 -0.807 2.801 1.00 0.00 N ATOM 994 CA PRO A 904 14.302 -0.786 4.229 1.00 0.00 C ATOM 995 C PRO A 904 14.008 0.608 4.741 1.00 0.00 C ATOM 996 O PRO A 904 14.591 1.592 4.286 1.00 0.00 O ATOM 997 CB PRO A 904 15.583 -1.287 4.873 1.00 0.00 C ATOM 998 CG PRO A 904 16.260 -2.063 3.828 1.00 0.00 C ATOM 999 CD PRO A 904 15.867 -1.456 2.509 1.00 0.00 C ATOM 0 HA PRO A 904 13.422 -1.387 4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 904 16.204 -0.458 5.212 1.00 0.00 H new ATOM 0 HB3 PRO A 904 15.370 -1.904 5.746 1.00 0.00 H new ATOM 0 HG2 PRO A 904 17.341 -2.030 3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 904 15.965 -3.111 3.874 1.00 0.00 H new ATOM 0 HD2 PRO A 904 16.610 -0.739 2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 904 15.765 -2.214 1.732 1.00 0.00 H new ATOM 1007 N GLU A 905 13.154 0.682 5.717 1.00 0.00 N ATOM 1008 CA GLU A 905 12.791 1.930 6.332 1.00 0.00 C ATOM 1009 C GLU A 905 13.902 2.394 7.252 1.00 0.00 C ATOM 1010 O GLU A 905 13.967 3.558 7.637 1.00 0.00 O ATOM 1011 CB GLU A 905 11.435 1.850 7.071 1.00 0.00 C ATOM 1012 CG GLU A 905 11.298 0.750 8.125 1.00 0.00 C ATOM 1013 CD GLU A 905 11.194 -0.647 7.548 1.00 0.00 C ATOM 1014 OE1 GLU A 905 12.232 -1.275 7.267 1.00 0.00 O ATOM 1015 OE2 GLU A 905 10.071 -1.149 7.359 1.00 0.00 O ATOM 0 H GLU A 905 12.682 -0.130 6.116 1.00 0.00 H new ATOM 0 HA GLU A 905 12.660 2.668 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 905 11.252 2.810 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 905 10.649 1.711 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 905 12.158 0.793 8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 905 10.413 0.949 8.730 1.00 0.00 H new ATOM 1022 N GLU A 906 14.806 1.475 7.562 1.00 0.00 N ATOM 1023 CA GLU A 906 15.954 1.770 8.396 1.00 0.00 C ATOM 1024 C GLU A 906 17.108 2.270 7.522 1.00 0.00 C ATOM 1025 O GLU A 906 18.153 2.721 8.012 1.00 0.00 O ATOM 1026 CB GLU A 906 16.342 0.538 9.216 1.00 0.00 C ATOM 1027 CG GLU A 906 16.624 -0.705 8.396 1.00 0.00 C ATOM 1028 CD GLU A 906 16.851 -1.909 9.262 1.00 0.00 C ATOM 1029 OE1 GLU A 906 15.857 -2.607 9.604 1.00 0.00 O ATOM 1030 OE2 GLU A 906 18.008 -2.187 9.622 1.00 0.00 O ATOM 0 H GLU A 906 14.761 0.508 7.242 1.00 0.00 H new ATOM 0 HA GLU A 906 15.705 2.561 9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 906 17.227 0.775 9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 906 15.539 0.318 9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 906 15.787 -0.894 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 906 17.502 -0.536 7.772 1.00 0.00 H new ATOM 1037 N MET A 907 16.886 2.195 6.235 1.00 0.00 N ATOM 1038 CA MET A 907 17.799 2.681 5.241 1.00 0.00 C ATOM 1039 C MET A 907 17.330 4.050 4.852 1.00 0.00 C ATOM 1040 O MET A 907 16.113 4.295 4.783 1.00 0.00 O ATOM 1041 CB MET A 907 17.781 1.763 4.010 1.00 0.00 C ATOM 1042 CG MET A 907 18.556 2.281 2.798 1.00 0.00 C ATOM 1043 SD MET A 907 18.399 1.214 1.352 1.00 0.00 S ATOM 1044 CE MET A 907 19.245 -0.252 1.928 1.00 0.00 C ATOM 0 H MET A 907 16.040 1.782 5.842 1.00 0.00 H new ATOM 0 HA MET A 907 18.817 2.705 5.631 1.00 0.00 H new ATOM 0 HB2 MET A 907 18.189 0.793 4.294 1.00 0.00 H new ATOM 0 HB3 MET A 907 16.745 1.599 3.715 1.00 0.00 H new ATOM 0 HG2 MET A 907 18.200 3.280 2.546 1.00 0.00 H new ATOM 0 HG3 MET A 907 19.610 2.375 3.061 1.00 0.00 H new ATOM 0 HE1 MET A 907 19.297 -0.983 1.121 1.00 0.00 H new ATOM 0 HE2 MET A 907 20.254 0.011 2.245 1.00 0.00 H new ATOM 0 HE3 MET A 907 18.700 -0.679 2.770 1.00 0.00 H new ATOM 1054 N GLN A 908 18.244 4.931 4.620 1.00 0.00 N ATOM 1055 CA GLN A 908 17.888 6.267 4.237 1.00 0.00 C ATOM 1056 C GLN A 908 17.837 6.376 2.745 1.00 0.00 C ATOM 1057 O GLN A 908 18.587 5.704 2.036 1.00 0.00 O ATOM 1058 CB GLN A 908 18.850 7.306 4.786 1.00 0.00 C ATOM 1059 CG GLN A 908 18.956 7.338 6.300 1.00 0.00 C ATOM 1060 CD GLN A 908 17.607 7.460 6.975 1.00 0.00 C ATOM 1061 OE1 GLN A 908 16.986 6.465 7.341 1.00 0.00 O ATOM 1062 NE2 GLN A 908 17.119 8.653 7.083 1.00 0.00 N ATOM 0 H GLN A 908 19.247 4.756 4.687 1.00 0.00 H new ATOM 0 HA GLN A 908 16.906 6.469 4.664 1.00 0.00 H new ATOM 0 HB2 GLN A 908 19.840 7.119 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 908 18.538 8.290 4.437 1.00 0.00 H new ATOM 0 HG2 GLN A 908 19.450 6.430 6.645 1.00 0.00 H new ATOM 0 HG3 GLN A 908 19.585 8.177 6.599 1.00 0.00 H new ATOM 0 HE21 GLN A 908 17.663 9.457 6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 908 16.191 8.790 7.482 1.00 0.00 H new ATOM 1071 N TRP A 909 16.973 7.197 2.283 1.00 0.00 N ATOM 1072 CA TRP A 909 16.790 7.440 0.877 1.00 0.00 C ATOM 1073 C TRP A 909 16.278 8.845 0.713 1.00 0.00 C ATOM 1074 O TRP A 909 15.449 9.300 1.489 1.00 0.00 O ATOM 1075 CB TRP A 909 15.797 6.419 0.262 1.00 0.00 C ATOM 1076 CG TRP A 909 15.510 6.624 -1.210 1.00 0.00 C ATOM 1077 CD1 TRP A 909 16.141 6.040 -2.266 1.00 0.00 C ATOM 1078 CD2 TRP A 909 14.505 7.476 -1.768 1.00 0.00 C ATOM 1079 NE1 TRP A 909 15.581 6.489 -3.448 1.00 0.00 N ATOM 1080 CE2 TRP A 909 14.580 7.372 -3.157 1.00 0.00 C ATOM 1081 CE3 TRP A 909 13.557 8.316 -1.210 1.00 0.00 C ATOM 1082 CZ2 TRP A 909 13.732 8.085 -3.998 1.00 0.00 C ATOM 1083 CZ3 TRP A 909 12.716 9.023 -2.036 1.00 0.00 C ATOM 1084 CH2 TRP A 909 12.809 8.903 -3.418 1.00 0.00 C ATOM 0 H TRP A 909 16.348 7.742 2.877 1.00 0.00 H new ATOM 0 HA TRP A 909 17.738 7.321 0.353 1.00 0.00 H new ATOM 0 HB2 TRP A 909 16.195 5.414 0.404 1.00 0.00 H new ATOM 0 HB3 TRP A 909 14.857 6.470 0.812 1.00 0.00 H new ATOM 0 HD1 TRP A 909 16.955 5.334 -2.192 1.00 0.00 H new ATOM 0 HE1 TRP A 909 15.869 6.207 -4.385 1.00 0.00 H new ATOM 0 HE3 TRP A 909 13.479 8.415 -0.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 909 13.802 7.994 -5.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 909 11.974 9.680 -1.606 1.00 0.00 H new ATOM 0 HH2 TRP A 909 12.136 9.470 -4.045 1.00 0.00 H new ATOM 1095 N PHE A 910 16.769 9.528 -0.274 1.00 0.00 N ATOM 1096 CA PHE A 910 16.375 10.887 -0.518 1.00 0.00 C ATOM 1097 C PHE A 910 16.014 11.018 -1.972 1.00 0.00 C ATOM 1098 O PHE A 910 16.632 10.361 -2.832 1.00 0.00 O ATOM 1099 CB PHE A 910 17.511 11.857 -0.141 1.00 0.00 C ATOM 1100 CG PHE A 910 17.971 11.703 1.284 1.00 0.00 C ATOM 1101 CD1 PHE A 910 17.264 12.280 2.321 1.00 0.00 C ATOM 1102 CD2 PHE A 910 19.093 10.943 1.586 1.00 0.00 C ATOM 1103 CE1 PHE A 910 17.664 12.110 3.631 1.00 0.00 C ATOM 1104 CE2 PHE A 910 19.494 10.763 2.892 1.00 0.00 C ATOM 1105 CZ PHE A 910 18.777 11.348 3.916 1.00 0.00 C ATOM 0 H PHE A 910 17.454 9.162 -0.935 1.00 0.00 H new ATOM 0 HA PHE A 910 15.513 11.144 0.098 1.00 0.00 H new ATOM 0 HB2 PHE A 910 18.357 11.694 -0.809 1.00 0.00 H new ATOM 0 HB3 PHE A 910 17.173 12.881 -0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 910 16.387 12.872 2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 910 19.659 10.487 0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 910 17.106 12.573 4.431 1.00 0.00 H new ATOM 0 HE2 PHE A 910 20.366 10.166 3.114 1.00 0.00 H new ATOM 0 HZ PHE A 910 19.088 11.209 4.941 1.00 0.00 H new ATOM 1115 N CYS A 911 15.009 11.804 -2.247 1.00 0.00 N ATOM 1116 CA CYS A 911 14.539 11.998 -3.591 1.00 0.00 C ATOM 1117 C CYS A 911 15.527 12.858 -4.393 1.00 0.00 C ATOM 1118 O CYS A 911 16.392 13.523 -3.803 1.00 0.00 O ATOM 1119 CB CYS A 911 13.156 12.656 -3.535 1.00 0.00 C ATOM 1120 SG CYS A 911 13.115 14.251 -2.673 1.00 0.00 S ATOM 0 H CYS A 911 14.491 12.330 -1.543 1.00 0.00 H new ATOM 0 HA CYS A 911 14.462 11.036 -4.097 1.00 0.00 H new ATOM 0 HB2 CYS A 911 12.794 12.798 -4.553 1.00 0.00 H new ATOM 0 HB3 CYS A 911 12.463 11.974 -3.043 1.00 0.00 H new ATOM 1125 N PRO A 912 15.427 12.853 -5.750 1.00 0.00 N ATOM 1126 CA PRO A 912 16.263 13.686 -6.624 1.00 0.00 C ATOM 1127 C PRO A 912 16.273 15.177 -6.217 1.00 0.00 C ATOM 1128 O PRO A 912 17.240 15.884 -6.479 1.00 0.00 O ATOM 1129 CB PRO A 912 15.642 13.503 -8.024 1.00 0.00 C ATOM 1130 CG PRO A 912 14.365 12.752 -7.804 1.00 0.00 C ATOM 1131 CD PRO A 912 14.550 11.981 -6.540 1.00 0.00 C ATOM 0 HA PRO A 912 17.309 13.384 -6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 912 15.453 14.466 -8.498 1.00 0.00 H new ATOM 0 HB3 PRO A 912 16.313 12.950 -8.681 1.00 0.00 H new ATOM 0 HG2 PRO A 912 13.520 13.436 -7.723 1.00 0.00 H new ATOM 0 HG3 PRO A 912 14.156 12.085 -8.640 1.00 0.00 H new ATOM 0 HD2 PRO A 912 13.601 11.798 -6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 912 15.006 11.008 -6.723 1.00 0.00 H new ATOM 1139 N LYS A 913 15.207 15.636 -5.559 1.00 0.00 N ATOM 1140 CA LYS A 913 15.138 17.010 -5.080 1.00 0.00 C ATOM 1141 C LYS A 913 15.994 17.186 -3.836 1.00 0.00 C ATOM 1142 O LYS A 913 16.864 18.074 -3.781 1.00 0.00 O ATOM 1143 CB LYS A 913 13.702 17.427 -4.764 1.00 0.00 C ATOM 1144 CG LYS A 913 12.809 17.683 -5.963 1.00 0.00 C ATOM 1145 CD LYS A 913 13.302 18.866 -6.784 1.00 0.00 C ATOM 1146 CE LYS A 913 12.291 19.281 -7.851 1.00 0.00 C ATOM 1147 NZ LYS A 913 11.997 18.201 -8.815 1.00 0.00 N ATOM 0 H LYS A 913 14.382 15.074 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 913 15.516 17.647 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 913 13.244 16.649 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 913 13.732 18.332 -4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 913 12.776 16.792 -6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 913 11.790 17.873 -5.625 1.00 0.00 H new ATOM 0 HD2 LYS A 913 13.499 19.710 -6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 913 14.248 18.608 -7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 913 11.365 19.590 -7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 913 12.674 20.148 -8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 913 11.359 18.559 -9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 913 12.883 17.875 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 913 11.542 17.408 -8.320 1.00 0.00 H new ATOM 1161 N CYS A 914 15.775 16.332 -2.852 1.00 0.00 N ATOM 1162 CA CYS A 914 16.499 16.422 -1.616 1.00 0.00 C ATOM 1163 C CYS A 914 17.956 16.064 -1.759 1.00 0.00 C ATOM 1164 O CYS A 914 18.793 16.721 -1.200 1.00 0.00 O ATOM 1165 CB CYS A 914 15.812 15.639 -0.499 1.00 0.00 C ATOM 1166 SG CYS A 914 14.300 16.436 0.102 1.00 0.00 S ATOM 0 H CYS A 914 15.098 15.570 -2.894 1.00 0.00 H new ATOM 0 HA CYS A 914 16.483 17.472 -1.326 1.00 0.00 H new ATOM 0 HB2 CYS A 914 15.570 14.639 -0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 914 16.507 15.518 0.332 1.00 0.00 H new ATOM 1171 N ALA A 915 18.259 15.080 -2.550 1.00 0.00 N ATOM 1172 CA ALA A 915 19.641 14.677 -2.733 1.00 0.00 C ATOM 1173 C ALA A 915 20.440 15.759 -3.477 1.00 0.00 C ATOM 1174 O ALA A 915 21.639 15.935 -3.264 1.00 0.00 O ATOM 1175 CB ALA A 915 19.714 13.343 -3.444 1.00 0.00 C ATOM 0 H ALA A 915 17.579 14.536 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 915 20.097 14.558 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 915 20.758 13.056 -3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 915 19.200 12.586 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 915 19.237 13.425 -4.421 1.00 0.00 H new ATOM 1181 N ASN A 916 19.740 16.543 -4.267 1.00 0.00 N ATOM 1182 CA ASN A 916 20.363 17.588 -5.081 1.00 0.00 C ATOM 1183 C ASN A 916 20.743 18.778 -4.229 1.00 0.00 C ATOM 1184 O ASN A 916 21.775 19.395 -4.446 1.00 0.00 O ATOM 1185 CB ASN A 916 19.442 18.017 -6.241 1.00 0.00 C ATOM 1186 CG ASN A 916 20.014 19.132 -7.116 1.00 0.00 C ATOM 1187 OD1 ASN A 916 20.776 18.872 -8.057 1.00 0.00 O ATOM 1188 ND2 ASN A 916 19.608 20.357 -6.865 1.00 0.00 N ATOM 0 H ASN A 916 18.727 16.483 -4.370 1.00 0.00 H new ATOM 0 HA ASN A 916 21.273 17.174 -5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 916 19.236 17.149 -6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 916 18.488 18.347 -5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 916 19.921 21.129 -7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 916 18.980 20.536 -6.081 1.00 0.00 H new ATOM 1195 N LYS A 917 19.938 19.054 -3.211 1.00 0.00 N ATOM 1196 CA LYS A 917 20.188 20.196 -2.332 1.00 0.00 C ATOM 1197 C LYS A 917 21.351 19.880 -1.390 1.00 0.00 C ATOM 1198 O LYS A 917 21.948 20.774 -0.792 1.00 0.00 O ATOM 1199 CB LYS A 917 18.914 20.570 -1.537 1.00 0.00 C ATOM 1200 CG LYS A 917 18.555 19.588 -0.449 1.00 0.00 C ATOM 1201 CD LYS A 917 17.149 19.786 0.092 1.00 0.00 C ATOM 1202 CE LYS A 917 16.863 18.790 1.210 1.00 0.00 C ATOM 1203 NZ LYS A 917 15.430 18.741 1.567 1.00 0.00 N ATOM 0 H LYS A 917 19.110 18.508 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 917 20.458 21.058 -2.943 1.00 0.00 H new ATOM 0 HB2 LYS A 917 19.053 21.555 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 917 18.077 20.650 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 917 18.649 18.574 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 917 19.269 19.684 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 917 17.037 20.804 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 917 16.423 19.659 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 917 17.192 17.798 0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 917 17.445 19.060 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 917 15.322 18.317 2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 917 15.041 19.705 1.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 917 14.918 18.166 0.868 1.00 0.00 H new ATOM 1217 N ILE A 918 21.660 18.597 -1.278 1.00 0.00 N ATOM 1218 CA ILE A 918 22.751 18.128 -0.450 1.00 0.00 C ATOM 1219 C ILE A 918 24.035 18.157 -1.257 1.00 0.00 C ATOM 1220 O ILE A 918 25.085 18.597 -0.777 1.00 0.00 O ATOM 1221 CB ILE A 918 22.520 16.663 0.003 1.00 0.00 C ATOM 1222 CG1 ILE A 918 21.134 16.505 0.632 1.00 0.00 C ATOM 1223 CG2 ILE A 918 23.612 16.228 0.977 1.00 0.00 C ATOM 1224 CD1 ILE A 918 20.814 15.094 1.086 1.00 0.00 C ATOM 0 H ILE A 918 21.157 17.853 -1.762 1.00 0.00 H new ATOM 0 HA ILE A 918 22.811 18.776 0.424 1.00 0.00 H new ATOM 0 HB ILE A 918 22.568 16.018 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 918 21.057 17.176 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 918 20.381 16.822 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 918 23.435 15.198 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 918 24.584 16.299 0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 918 23.597 16.876 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 918 19.814 15.069 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 918 20.856 14.419 0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 918 21.542 14.779 1.834 1.00 0.00 H new ATOM 1236 N LYS A 919 23.926 17.717 -2.490 1.00 0.00 N ATOM 1237 CA LYS A 919 25.050 17.571 -3.375 1.00 0.00 C ATOM 1238 C LYS A 919 25.486 18.920 -3.897 1.00 0.00 C ATOM 1239 O LYS A 919 26.629 19.333 -3.676 1.00 0.00 O ATOM 1240 CB LYS A 919 24.683 16.618 -4.532 1.00 0.00 C ATOM 1241 CG LYS A 919 25.777 16.415 -5.571 1.00 0.00 C ATOM 1242 CD LYS A 919 27.036 15.821 -4.965 1.00 0.00 C ATOM 1243 CE LYS A 919 28.132 15.678 -6.004 1.00 0.00 C ATOM 1244 NZ LYS A 919 28.480 16.980 -6.624 1.00 0.00 N ATOM 0 H LYS A 919 23.036 17.447 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 919 25.887 17.139 -2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 919 24.417 15.648 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 919 23.795 17.004 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 919 25.410 15.758 -6.360 1.00 0.00 H new ATOM 0 HG3 LYS A 919 26.016 17.371 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 919 27.385 16.456 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 919 26.810 14.845 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 919 29.019 15.249 -5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 919 27.810 14.982 -6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 919 29.401 16.902 -7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 919 27.751 17.239 -7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 919 28.532 17.712 -5.887 1.00 0.00 H new ATOM 1258 N LYS A 920 24.552 19.611 -4.558 1.00 0.00 N ATOM 1259 CA LYS A 920 24.778 20.922 -5.160 1.00 0.00 C ATOM 1260 C LYS A 920 25.852 20.863 -6.264 1.00 0.00 C ATOM 1261 O LYS A 920 26.358 19.782 -6.631 1.00 0.00 O ATOM 1262 CB LYS A 920 25.185 21.954 -4.091 1.00 0.00 C ATOM 1263 CG LYS A 920 24.163 22.207 -2.996 1.00 0.00 C ATOM 1264 CD LYS A 920 24.714 23.215 -1.996 1.00 0.00 C ATOM 1265 CE LYS A 920 23.795 23.419 -0.802 1.00 0.00 C ATOM 1266 NZ LYS A 920 22.469 23.953 -1.176 1.00 0.00 N ATOM 0 H LYS A 920 23.601 19.266 -4.690 1.00 0.00 H new ATOM 0 HA LYS A 920 23.837 21.233 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 920 26.113 21.621 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 920 25.399 22.900 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 920 23.237 22.582 -3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 920 23.922 21.273 -2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 920 25.689 22.877 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 920 24.869 24.170 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 920 23.665 22.468 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 920 24.270 24.102 -0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 920 21.894 24.086 -0.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 920 22.586 24.866 -1.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 920 21.992 23.283 -1.812 1.00 0.00 H new ATOM 1280 N ASP A 921 26.159 22.010 -6.796 1.00 0.00 N ATOM 1281 CA ASP A 921 27.200 22.189 -7.779 1.00 0.00 C ATOM 1282 C ASP A 921 27.779 23.542 -7.556 1.00 0.00 C ATOM 1283 O ASP A 921 27.021 24.526 -7.493 1.00 0.00 O ATOM 1284 CB ASP A 921 26.655 22.096 -9.212 1.00 0.00 C ATOM 1285 CG ASP A 921 27.718 22.378 -10.267 1.00 0.00 C ATOM 1286 OD1 ASP A 921 28.574 21.506 -10.515 1.00 0.00 O ATOM 1287 OD2 ASP A 921 27.696 23.453 -10.893 1.00 0.00 O ATOM 0 H ASP A 921 25.680 22.877 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 921 27.946 21.402 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 921 26.243 21.100 -9.375 1.00 0.00 H new ATOM 0 HB3 ASP A 921 25.835 22.804 -9.331 1.00 0.00 H new ATOM 1292 N LYS A 922 29.092 23.597 -7.372 1.00 0.00 N ATOM 1293 CA LYS A 922 29.818 24.837 -7.129 1.00 0.00 C ATOM 1294 C LYS A 922 29.515 25.405 -5.751 1.00 0.00 C ATOM 1295 O LYS A 922 28.689 24.865 -4.991 1.00 0.00 O ATOM 1296 CB LYS A 922 29.573 25.865 -8.250 1.00 0.00 C ATOM 1297 CG LYS A 922 30.141 25.413 -9.567 1.00 0.00 C ATOM 1298 CD LYS A 922 29.671 26.253 -10.724 1.00 0.00 C ATOM 1299 CE LYS A 922 30.201 25.680 -12.026 1.00 0.00 C ATOM 1300 NZ LYS A 922 29.921 24.224 -12.136 1.00 0.00 N ATOM 0 H LYS A 922 29.690 22.771 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 922 30.882 24.601 -7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 922 28.502 26.035 -8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 922 30.021 26.819 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 922 31.229 25.446 -9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 922 29.861 24.374 -9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 922 28.582 26.281 -10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 922 30.014 27.280 -10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 922 29.746 26.203 -12.867 1.00 0.00 H new ATOM 0 HE3 LYS A 922 31.276 25.850 -12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 29.709 23.985 -13.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 30.753 23.686 -11.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 29.105 23.981 -11.539 1.00 0.00 H new ATOM 1314 N LYS A 923 30.194 26.444 -5.410 1.00 0.00 N ATOM 1315 CA LYS A 923 30.039 27.046 -4.123 1.00 0.00 C ATOM 1316 C LYS A 923 29.029 28.157 -4.196 1.00 0.00 C ATOM 1317 O LYS A 923 29.331 29.269 -4.613 1.00 0.00 O ATOM 1318 CB LYS A 923 31.389 27.521 -3.601 1.00 0.00 C ATOM 1319 CG LYS A 923 32.376 26.379 -3.462 1.00 0.00 C ATOM 1320 CD LYS A 923 33.738 26.839 -3.013 1.00 0.00 C ATOM 1321 CE LYS A 923 34.679 25.654 -2.838 1.00 0.00 C ATOM 1322 NZ LYS A 923 34.859 24.878 -4.095 1.00 0.00 N ATOM 0 H LYS A 923 30.875 26.905 -6.014 1.00 0.00 H new ATOM 0 HA LYS A 923 29.661 26.309 -3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 923 31.796 28.272 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 923 31.254 28.004 -2.633 1.00 0.00 H new ATOM 0 HG2 LYS A 923 31.988 25.654 -2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 923 32.468 25.865 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 923 34.152 27.533 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 923 33.651 27.382 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 923 35.649 26.012 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 923 34.289 24.996 -2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 923 35.652 24.215 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 923 33.990 24.346 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 923 35.061 25.530 -4.880 1.00 0.00 H new ATOM 1336 N HIS A 924 27.819 27.826 -3.870 1.00 0.00 N ATOM 1337 CA HIS A 924 26.737 28.750 -3.901 1.00 0.00 C ATOM 1338 C HIS A 924 26.061 28.704 -2.562 1.00 0.00 C ATOM 1339 O HIS A 924 26.200 29.659 -1.797 1.00 0.00 O ATOM 1340 CB HIS A 924 25.767 28.402 -5.043 1.00 0.00 C ATOM 1341 CG HIS A 924 24.623 29.364 -5.210 1.00 0.00 C ATOM 1342 ND1 HIS A 924 23.324 28.958 -5.411 1.00 0.00 N ATOM 1343 CD2 HIS A 924 24.600 30.718 -5.247 1.00 0.00 C ATOM 1344 CE1 HIS A 924 22.548 30.017 -5.563 1.00 0.00 C ATOM 1345 NE2 HIS A 924 23.301 31.096 -5.468 1.00 0.00 N ATOM 1346 OXT HIS A 924 25.481 27.657 -2.228 1.00 0.00 O ATOM 0 H HIS A 924 27.554 26.888 -3.570 1.00 0.00 H new ATOM 0 HA HIS A 924 27.095 29.762 -4.093 1.00 0.00 H new ATOM 0 HB2 HIS A 924 26.327 28.359 -5.977 1.00 0.00 H new ATOM 0 HB3 HIS A 924 25.363 27.405 -4.867 1.00 0.00 H new ATOM 0 HD2 HIS A 924 25.447 31.377 -5.125 1.00 0.00 H new ATOM 0 HE1 HIS A 924 21.482 30.002 -5.735 1.00 0.00 H new ATOM 0 HE2 HIS A 924 22.970 32.058 -5.546 1.00 0.00 H new TER 1355 HIS A 924 HETATM 1356 ZN ZN A 940 12.744 14.571 -0.524 1.00 0.00 ZN HETATM 1357 ZN ZN A 941 4.481 9.876 -9.371 1.00 0.00 ZN