USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 991 GLN : amide:sc= -0.129 K(o=-0.25,f=-0.82) USER MOD Set 1.2: A1042 GLN : amide:sc= -0.121 K(o=-0.25,f=-0.82) USER MOD Set 2.1: A 979 SER OG : rot 180:sc= 0.272 USER MOD Set 2.2: A 981 SER OG : rot 12:sc= 0.145 USER MOD Set 3.1: A 962 GLN : amide:sc= 0.372 K(o=1.5,f=-2.1) USER MOD Set 3.2: A 992 SER OG : rot -85:sc= 1.08 USER MOD Set 4.1: A 936 GLN : amide:sc= 0.14 K(o=-4.2,f=-5.1) USER MOD Set 4.2: A 956 CYS SG : rot 130:sc= -4.38! USER MOD Set 5.1: A 919 HIS : no HD1:sc= -0.0317 X(o=0.16,f=0.21) USER MOD Set 5.2: A 923 GLN : amide:sc= 0.189 X(o=0.16,f=0) USER MOD Single : A 915 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.37) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 927 SER OG : rot -90:sc= 0 USER MOD Single : A 929 THR OG1 : rot 68:sc= 0.856 USER MOD Single : A 930 GLN : amide:sc= -1.5 K(o=-1.5,f=-6.8!) USER MOD Single : A 931 THR OG1 : rot 69:sc= 0.76 USER MOD Single : A 937 HIS :FLIP no HE2:sc= 0.373 F(o=-1.2,f=0.37) USER MOD Single : A 954 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 955 SER OG : rot -81:sc= 1.21 USER MOD Single : A 957 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 968 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 973 SER OG : rot -30:sc= 0.666 USER MOD Single : A 974 GLN : amide:sc= 1.18 K(o=1.2,f=-0.72) USER MOD Single : A 976 GLN : amide:sc= -0.107 X(o=-0.11,f=0.38) USER MOD Single : A 983 GLN :FLIP amide:sc= -1.52 F(o=-4.5!,f=-1.5) USER MOD Single : A 990 SER OG : rot 81:sc= 1.29 USER MOD Single : A 995 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 999 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1000 MET CE :methyl 158:sc= -1.28 (180deg=-2.42) USER MOD Single : A1005 LYS NZ :NH3+ -165:sc= -0.018 (180deg=-0.203) USER MOD Single : A1007 SER OG : rot 78:sc= 0.0676 USER MOD Single : A1010 THR OG1 : rot 12:sc= 0.343 USER MOD Single : A1012 GLN : amide:sc= -0.0563 X(o=-0.056,f=-0.069) USER MOD Single : A1014 GLN :FLIP amide:sc=-0.00666 F(o=-1.1,f=-0.0067) USER MOD Single : A1016 SER OG : rot 89:sc= 1.3 USER MOD Single : A1018 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1019 GLN :FLIP amide:sc= -0.159 F(o=-0.92,f=-0.16) USER MOD Single : A1021 SER OG : rot 180:sc= 0 USER MOD Single : A1022 GLN :FLIP amide:sc=-0.000525 F(o=-1.2!,f=-0.00053) USER MOD Single : A1023 CYS SG : rot 4:sc= -5.45! USER MOD Single : A1025 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1026 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A1029 THR OG1 : rot 76:sc= 0.164 USER MOD Single : A1036 THR OG1 : rot 75:sc= 1.19 USER MOD Single : A1039 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A1040 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N LEU A 913 18.934 5.169 -2.014 1.00 0.00 N ATOM 90 CA LEU A 913 17.755 4.690 -2.725 1.00 0.00 C ATOM 91 C LEU A 913 16.892 3.793 -1.848 1.00 0.00 C ATOM 92 O LEU A 913 15.672 3.757 -1.996 1.00 0.00 O ATOM 93 CB LEU A 913 18.180 3.931 -3.982 1.00 0.00 C ATOM 94 CG LEU A 913 18.850 4.783 -5.057 1.00 0.00 C ATOM 95 CD1 LEU A 913 19.475 3.903 -6.123 1.00 0.00 C ATOM 96 CD2 LEU A 913 17.839 5.730 -5.683 1.00 0.00 C ATOM 0 HA LEU A 913 17.158 5.559 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.865 3.134 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 913 17.301 3.454 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 913 19.640 5.371 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 913 19.948 4.529 -6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.225 3.256 -5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 913 18.702 3.291 -6.589 1.00 0.00 H new ATOM 0 HD21 LEU A 913 18.329 6.332 -6.448 1.00 0.00 H new ATOM 0 HD22 LEU A 913 17.033 5.153 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 913 17.429 6.385 -4.914 1.00 0.00 H new ATOM 108 N VAL A 914 17.521 3.078 -0.929 1.00 0.00 N ATOM 109 CA VAL A 914 16.789 2.167 -0.062 1.00 0.00 C ATOM 110 C VAL A 914 16.093 2.927 1.065 1.00 0.00 C ATOM 111 O VAL A 914 15.078 2.479 1.585 1.00 0.00 O ATOM 112 CB VAL A 914 17.706 1.074 0.526 1.00 0.00 C ATOM 113 CG1 VAL A 914 18.459 0.359 -0.583 1.00 0.00 C ATOM 114 CG2 VAL A 914 18.680 1.651 1.535 1.00 0.00 C ATOM 0 H VAL A 914 18.527 3.109 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 914 16.034 1.678 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 914 17.073 0.354 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 914 19.101 -0.409 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 914 17.747 -0.105 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 914 19.070 1.077 -1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 914 19.310 0.854 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 914 19.304 2.401 1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 914 18.126 2.113 2.352 1.00 0.00 H new ATOM 124 N GLN A 915 16.621 4.101 1.404 1.00 0.00 N ATOM 125 CA GLN A 915 16.072 4.900 2.494 1.00 0.00 C ATOM 126 C GLN A 915 14.737 5.501 2.068 1.00 0.00 C ATOM 127 O GLN A 915 13.736 5.391 2.774 1.00 0.00 O ATOM 128 CB GLN A 915 17.065 6.002 2.881 1.00 0.00 C ATOM 129 CG GLN A 915 17.005 6.421 4.344 1.00 0.00 C ATOM 130 CD GLN A 915 15.728 7.153 4.709 1.00 0.00 C ATOM 131 OE1 GLN A 915 14.746 6.546 5.135 1.00 0.00 O ATOM 132 NE2 GLN A 915 15.734 8.464 4.545 1.00 0.00 N ATOM 0 H GLN A 915 17.427 4.519 0.939 1.00 0.00 H new ATOM 0 HA GLN A 915 15.905 4.265 3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 915 18.075 5.659 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 915 16.879 6.877 2.258 1.00 0.00 H new ATOM 0 HG2 GLN A 915 17.099 5.535 4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 915 17.858 7.062 4.566 1.00 0.00 H new ATOM 0 HE21 GLN A 915 16.569 8.930 4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 915 14.904 9.010 4.774 1.00 0.00 H new ATOM 141 N ARG A 916 14.727 6.118 0.891 1.00 0.00 N ATOM 142 CA ARG A 916 13.495 6.659 0.327 1.00 0.00 C ATOM 143 C ARG A 916 12.492 5.536 0.080 1.00 0.00 C ATOM 144 O ARG A 916 11.279 5.743 0.143 1.00 0.00 O ATOM 145 CB ARG A 916 13.782 7.415 -0.973 1.00 0.00 C ATOM 146 CG ARG A 916 14.596 6.616 -1.978 1.00 0.00 C ATOM 147 CD ARG A 916 14.852 7.399 -3.254 1.00 0.00 C ATOM 148 NE ARG A 916 15.422 8.715 -2.986 1.00 0.00 N ATOM 149 CZ ARG A 916 16.711 9.022 -3.126 1.00 0.00 C ATOM 150 NH1 ARG A 916 17.588 8.098 -3.494 1.00 0.00 N ATOM 151 NH2 ARG A 916 17.121 10.258 -2.892 1.00 0.00 N ATOM 0 H ARG A 916 15.555 6.256 0.311 1.00 0.00 H new ATOM 0 HA ARG A 916 13.066 7.361 1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 916 12.836 7.703 -1.432 1.00 0.00 H new ATOM 0 HB3 ARG A 916 14.315 8.336 -0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 916 15.548 6.332 -1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 916 14.069 5.693 -2.219 1.00 0.00 H new ATOM 0 HD2 ARG A 916 15.529 6.835 -3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 916 13.917 7.514 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 916 14.790 9.451 -2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 916 17.278 7.143 -3.673 1.00 0.00 H new ATOM 0 HH12 ARG A 916 18.573 8.342 -3.599 1.00 0.00 H new ATOM 0 HH21 ARG A 916 16.451 10.972 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 916 18.107 10.497 -2.998 1.00 0.00 H new ATOM 165 N LEU A 917 13.013 4.341 -0.182 1.00 0.00 N ATOM 166 CA LEU A 917 12.184 3.162 -0.362 1.00 0.00 C ATOM 167 C LEU A 917 11.501 2.819 0.959 1.00 0.00 C ATOM 168 O LEU A 917 10.281 2.668 1.016 1.00 0.00 O ATOM 169 CB LEU A 917 13.043 1.986 -0.840 1.00 0.00 C ATOM 170 CG LEU A 917 12.379 1.032 -1.838 1.00 0.00 C ATOM 171 CD1 LEU A 917 13.333 -0.093 -2.194 1.00 0.00 C ATOM 172 CD2 LEU A 917 11.079 0.469 -1.286 1.00 0.00 C ATOM 0 H LEU A 917 14.014 4.167 -0.274 1.00 0.00 H new ATOM 0 HA LEU A 917 11.423 3.363 -1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.949 2.385 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 917 13.353 1.410 0.032 1.00 0.00 H new ATOM 0 HG LEU A 917 12.140 1.597 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 917 12.853 -0.766 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 917 14.235 0.323 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 917 13.597 -0.645 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 917 10.634 -0.204 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 917 11.282 -0.079 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 917 10.388 1.286 -1.077 1.00 0.00 H new ATOM 184 N GLU A 918 12.302 2.720 2.020 1.00 0.00 N ATOM 185 CA GLU A 918 11.792 2.479 3.367 1.00 0.00 C ATOM 186 C GLU A 918 10.685 3.469 3.710 1.00 0.00 C ATOM 187 O GLU A 918 9.608 3.080 4.156 1.00 0.00 O ATOM 188 CB GLU A 918 12.916 2.619 4.397 1.00 0.00 C ATOM 189 CG GLU A 918 13.991 1.550 4.308 1.00 0.00 C ATOM 190 CD GLU A 918 15.168 1.849 5.216 1.00 0.00 C ATOM 191 OE1 GLU A 918 14.939 2.233 6.384 1.00 0.00 O ATOM 192 OE2 GLU A 918 16.325 1.733 4.764 1.00 0.00 O ATOM 0 H GLU A 918 13.317 2.804 1.969 1.00 0.00 H new ATOM 0 HA GLU A 918 11.392 1.465 3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 918 13.383 3.596 4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 918 12.481 2.596 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 918 13.564 0.583 4.575 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.339 1.471 3.278 1.00 0.00 H new ATOM 199 N HIS A 919 10.965 4.748 3.480 1.00 0.00 N ATOM 200 CA HIS A 919 10.032 5.827 3.799 1.00 0.00 C ATOM 201 C HIS A 919 8.681 5.612 3.108 1.00 0.00 C ATOM 202 O HIS A 919 7.623 5.884 3.684 1.00 0.00 O ATOM 203 CB HIS A 919 10.641 7.170 3.374 1.00 0.00 C ATOM 204 CG HIS A 919 9.930 8.378 3.909 1.00 0.00 C ATOM 205 ND1 HIS A 919 10.417 9.130 4.953 1.00 0.00 N ATOM 206 CD2 HIS A 919 8.775 8.974 3.526 1.00 0.00 C ATOM 207 CE1 HIS A 919 9.592 10.133 5.194 1.00 0.00 C ATOM 208 NE2 HIS A 919 8.588 10.062 4.341 1.00 0.00 N ATOM 0 H HIS A 919 11.842 5.067 3.068 1.00 0.00 H new ATOM 0 HA HIS A 919 9.857 5.831 4.875 1.00 0.00 H new ATOM 0 HB2 HIS A 919 11.680 7.202 3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 919 10.648 7.222 2.285 1.00 0.00 H new ATOM 0 HD2 HIS A 919 8.123 8.652 2.728 1.00 0.00 H new ATOM 0 HE1 HIS A 919 9.718 10.884 5.960 1.00 0.00 H new ATOM 0 HE2 HIS A 919 7.802 10.710 4.295 1.00 0.00 H new ATOM 216 N ALA A 920 8.722 5.109 1.883 1.00 0.00 N ATOM 217 CA ALA A 920 7.511 4.880 1.110 1.00 0.00 C ATOM 218 C ALA A 920 6.830 3.577 1.525 1.00 0.00 C ATOM 219 O ALA A 920 5.605 3.497 1.586 1.00 0.00 O ATOM 220 CB ALA A 920 7.832 4.863 -0.376 1.00 0.00 C ATOM 0 H ALA A 920 9.584 4.851 1.402 1.00 0.00 H new ATOM 0 HA ALA A 920 6.819 5.698 1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 920 6.918 4.691 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 920 8.264 5.821 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.545 4.065 -0.585 1.00 0.00 H new ATOM 226 N ALA A 921 7.631 2.566 1.825 1.00 0.00 N ATOM 227 CA ALA A 921 7.108 1.260 2.209 1.00 0.00 C ATOM 228 C ALA A 921 6.356 1.328 3.536 1.00 0.00 C ATOM 229 O ALA A 921 5.284 0.737 3.683 1.00 0.00 O ATOM 230 CB ALA A 921 8.234 0.243 2.286 1.00 0.00 C ATOM 0 H ALA A 921 8.649 2.624 1.810 1.00 0.00 H new ATOM 0 HA ALA A 921 6.400 0.944 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.829 -0.727 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.717 0.160 1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.965 0.565 3.027 1.00 0.00 H new ATOM 236 N LYS A 922 6.916 2.061 4.494 1.00 0.00 N ATOM 237 CA LYS A 922 6.292 2.212 5.807 1.00 0.00 C ATOM 238 C LYS A 922 4.921 2.868 5.675 1.00 0.00 C ATOM 239 O LYS A 922 3.935 2.391 6.247 1.00 0.00 O ATOM 240 CB LYS A 922 7.161 3.073 6.721 1.00 0.00 C ATOM 241 CG LYS A 922 8.576 2.565 6.906 1.00 0.00 C ATOM 242 CD LYS A 922 9.426 3.599 7.619 1.00 0.00 C ATOM 243 CE LYS A 922 10.908 3.288 7.519 1.00 0.00 C ATOM 244 NZ LYS A 922 11.733 4.405 8.045 1.00 0.00 N ATOM 0 H LYS A 922 7.799 2.559 4.387 1.00 0.00 H new ATOM 0 HA LYS A 922 6.183 1.217 6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 922 7.202 4.084 6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.682 3.141 7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 922 8.563 1.639 7.480 1.00 0.00 H new ATOM 0 HG3 LYS A 922 9.014 2.333 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 922 9.233 4.583 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 922 9.136 3.645 8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 922 11.129 2.377 8.076 1.00 0.00 H new ATOM 0 HE3 LYS A 922 11.172 3.097 6.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 12.741 4.161 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 11.539 5.267 7.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 11.498 4.570 9.045 1.00 0.00 H new ATOM 258 N GLN A 923 4.861 3.958 4.912 1.00 0.00 N ATOM 259 CA GLN A 923 3.623 4.715 4.766 1.00 0.00 C ATOM 260 C GLN A 923 2.607 3.945 3.934 1.00 0.00 C ATOM 261 O GLN A 923 1.404 4.066 4.156 1.00 0.00 O ATOM 262 CB GLN A 923 3.887 6.089 4.142 1.00 0.00 C ATOM 263 CG GLN A 923 4.372 6.035 2.706 1.00 0.00 C ATOM 264 CD GLN A 923 4.581 7.410 2.114 1.00 0.00 C ATOM 265 OE1 GLN A 923 3.669 7.994 1.530 1.00 0.00 O ATOM 266 NE2 GLN A 923 5.782 7.935 2.262 1.00 0.00 N ATOM 0 H GLN A 923 5.652 4.334 4.389 1.00 0.00 H new ATOM 0 HA GLN A 923 3.210 4.865 5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 923 2.970 6.677 4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 923 4.628 6.613 4.745 1.00 0.00 H new ATOM 0 HG2 GLN A 923 5.308 5.478 2.663 1.00 0.00 H new ATOM 0 HG3 GLN A 923 3.648 5.489 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 923 6.509 7.415 2.754 1.00 0.00 H new ATOM 0 HE22 GLN A 923 5.984 8.861 1.885 1.00 0.00 H new ATOM 275 N ALA A 924 3.087 3.154 2.978 1.00 0.00 N ATOM 276 CA ALA A 924 2.209 2.324 2.167 1.00 0.00 C ATOM 277 C ALA A 924 1.543 1.268 3.035 1.00 0.00 C ATOM 278 O ALA A 924 0.329 1.077 2.979 1.00 0.00 O ATOM 279 CB ALA A 924 2.982 1.673 1.032 1.00 0.00 C ATOM 0 H ALA A 924 4.077 3.072 2.748 1.00 0.00 H new ATOM 0 HA ALA A 924 1.437 2.957 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.307 1.057 0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.419 2.446 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.775 1.049 1.443 1.00 0.00 H new ATOM 285 N ALA A 925 2.351 0.609 3.861 1.00 0.00 N ATOM 286 CA ALA A 925 1.853 -0.394 4.792 1.00 0.00 C ATOM 287 C ALA A 925 0.831 0.219 5.747 1.00 0.00 C ATOM 288 O ALA A 925 -0.227 -0.358 6.007 1.00 0.00 O ATOM 289 CB ALA A 925 3.015 -1.007 5.567 1.00 0.00 C ATOM 0 H ALA A 925 3.360 0.754 3.903 1.00 0.00 H new ATOM 0 HA ALA A 925 1.356 -1.182 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.634 -1.756 6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.709 -1.477 4.870 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.533 -0.226 6.124 1.00 0.00 H new ATOM 295 N ALA A 926 1.152 1.405 6.250 1.00 0.00 N ATOM 296 CA ALA A 926 0.279 2.117 7.173 1.00 0.00 C ATOM 297 C ALA A 926 -1.023 2.536 6.494 1.00 0.00 C ATOM 298 O ALA A 926 -2.114 2.227 6.975 1.00 0.00 O ATOM 299 CB ALA A 926 1.000 3.338 7.728 1.00 0.00 C ATOM 0 H ALA A 926 2.018 1.897 6.031 1.00 0.00 H new ATOM 0 HA ALA A 926 0.026 1.443 7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 926 0.342 3.867 8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.900 3.021 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 926 1.275 4.002 6.908 1.00 0.00 H new ATOM 305 N SER A 927 -0.897 3.216 5.361 1.00 0.00 N ATOM 306 CA SER A 927 -2.048 3.760 4.651 1.00 0.00 C ATOM 307 C SER A 927 -2.983 2.647 4.194 1.00 0.00 C ATOM 308 O SER A 927 -4.208 2.792 4.237 1.00 0.00 O ATOM 309 CB SER A 927 -1.582 4.581 3.449 1.00 0.00 C ATOM 310 OG SER A 927 -2.608 5.435 2.988 1.00 0.00 O ATOM 0 H SER A 927 -0.001 3.405 4.911 1.00 0.00 H new ATOM 0 HA SER A 927 -2.597 4.407 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 927 -0.709 5.172 3.725 1.00 0.00 H new ATOM 0 HB3 SER A 927 -1.273 3.912 2.646 1.00 0.00 H new ATOM 0 HG SER A 927 -3.142 4.969 2.311 1.00 0.00 H new ATOM 316 N ALA A 928 -2.404 1.532 3.767 1.00 0.00 N ATOM 317 CA ALA A 928 -3.184 0.382 3.345 1.00 0.00 C ATOM 318 C ALA A 928 -4.040 -0.134 4.487 1.00 0.00 C ATOM 319 O ALA A 928 -5.213 -0.446 4.301 1.00 0.00 O ATOM 320 CB ALA A 928 -2.271 -0.716 2.836 1.00 0.00 C ATOM 0 H ALA A 928 -1.394 1.402 3.705 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.843 0.694 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.870 -1.571 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.695 -0.346 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.590 -1.021 3.631 1.00 0.00 H new ATOM 326 N THR A 929 -3.448 -0.194 5.673 1.00 0.00 N ATOM 327 CA THR A 929 -4.152 -0.659 6.858 1.00 0.00 C ATOM 328 C THR A 929 -5.334 0.262 7.177 1.00 0.00 C ATOM 329 O THR A 929 -6.403 -0.197 7.583 1.00 0.00 O ATOM 330 CB THR A 929 -3.195 -0.732 8.066 1.00 0.00 C ATOM 331 OG1 THR A 929 -2.035 -1.504 7.720 1.00 0.00 O ATOM 332 CG2 THR A 929 -3.879 -1.363 9.269 1.00 0.00 C ATOM 0 H THR A 929 -2.478 0.075 5.839 1.00 0.00 H new ATOM 0 HA THR A 929 -4.533 -1.660 6.656 1.00 0.00 H new ATOM 0 HB THR A 929 -2.901 0.284 8.328 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.504 -1.017 7.056 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.181 -1.402 10.105 1.00 0.00 H new ATOM 0 HG22 THR A 929 -4.747 -0.766 9.548 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.199 -2.374 9.017 1.00 0.00 H new ATOM 340 N GLN A 930 -5.144 1.560 6.959 1.00 0.00 N ATOM 341 CA GLN A 930 -6.204 2.536 7.188 1.00 0.00 C ATOM 342 C GLN A 930 -7.299 2.387 6.136 1.00 0.00 C ATOM 343 O GLN A 930 -8.487 2.523 6.434 1.00 0.00 O ATOM 344 CB GLN A 930 -5.646 3.961 7.158 1.00 0.00 C ATOM 345 CG GLN A 930 -4.481 4.197 8.111 1.00 0.00 C ATOM 346 CD GLN A 930 -4.837 3.991 9.575 1.00 0.00 C ATOM 347 OE1 GLN A 930 -5.683 3.168 9.929 1.00 0.00 O ATOM 348 NE2 GLN A 930 -4.185 4.743 10.443 1.00 0.00 N ATOM 0 H GLN A 930 -4.267 1.960 6.625 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.629 2.349 8.174 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -5.322 4.191 6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -6.448 4.658 7.403 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -3.665 3.524 7.847 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -4.113 5.214 7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -3.491 5.415 10.116 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -4.376 4.652 11.441 1.00 0.00 H new ATOM 357 N THR A 931 -6.888 2.111 4.905 1.00 0.00 N ATOM 358 CA THR A 931 -7.827 1.892 3.816 1.00 0.00 C ATOM 359 C THR A 931 -8.653 0.634 4.075 1.00 0.00 C ATOM 360 O THR A 931 -9.864 0.619 3.859 1.00 0.00 O ATOM 361 CB THR A 931 -7.089 1.770 2.468 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.211 2.891 2.298 1.00 0.00 O ATOM 363 CG2 THR A 931 -8.070 1.718 1.306 1.00 0.00 C ATOM 0 H THR A 931 -5.907 2.034 4.637 1.00 0.00 H new ATOM 0 HA THR A 931 -8.494 2.752 3.766 1.00 0.00 H new ATOM 0 HB THR A 931 -6.516 0.843 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.471 2.827 2.937 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.520 1.632 0.369 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.726 0.855 1.422 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.668 2.629 1.293 1.00 0.00 H new ATOM 371 N ILE A 932 -7.986 -0.410 4.561 1.00 0.00 N ATOM 372 CA ILE A 932 -8.652 -1.652 4.937 1.00 0.00 C ATOM 373 C ILE A 932 -9.722 -1.389 5.993 1.00 0.00 C ATOM 374 O ILE A 932 -10.864 -1.831 5.857 1.00 0.00 O ATOM 375 CB ILE A 932 -7.636 -2.689 5.475 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.712 -3.159 4.351 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.349 -3.875 6.111 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.632 -4.117 4.807 1.00 0.00 C ATOM 0 H ILE A 932 -6.976 -0.419 4.704 1.00 0.00 H new ATOM 0 HA ILE A 932 -9.124 -2.057 4.042 1.00 0.00 H new ATOM 0 HB ILE A 932 -7.034 -2.207 6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -7.311 -3.642 3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.243 -2.289 3.892 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.611 -4.588 6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -8.965 -3.527 6.941 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -8.982 -4.360 5.368 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -5.018 -4.405 3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -5.007 -3.631 5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -6.092 -5.005 5.239 1.00 0.00 H new ATOM 390 N ALA A 933 -9.347 -0.648 7.030 1.00 0.00 N ATOM 391 CA ALA A 933 -10.267 -0.306 8.107 1.00 0.00 C ATOM 392 C ALA A 933 -11.513 0.385 7.564 1.00 0.00 C ATOM 393 O ALA A 933 -12.638 0.001 7.883 1.00 0.00 O ATOM 394 CB ALA A 933 -9.572 0.583 9.126 1.00 0.00 C ATOM 0 H ALA A 933 -8.406 -0.271 7.147 1.00 0.00 H new ATOM 0 HA ALA A 933 -10.579 -1.229 8.596 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.269 0.833 9.926 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -8.714 0.056 9.543 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.235 1.499 8.640 1.00 0.00 H new ATOM 400 N ALA A 934 -11.303 1.388 6.724 1.00 0.00 N ATOM 401 CA ALA A 934 -12.405 2.127 6.126 1.00 0.00 C ATOM 402 C ALA A 934 -13.250 1.221 5.235 1.00 0.00 C ATOM 403 O ALA A 934 -14.479 1.242 5.302 1.00 0.00 O ATOM 404 CB ALA A 934 -11.877 3.312 5.333 1.00 0.00 C ATOM 0 H ALA A 934 -10.377 1.709 6.441 1.00 0.00 H new ATOM 0 HA ALA A 934 -13.042 2.499 6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.712 3.855 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -11.322 3.976 5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -11.217 2.956 4.542 1.00 0.00 H new ATOM 410 N ALA A 935 -12.582 0.411 4.423 1.00 0.00 N ATOM 411 CA ALA A 935 -13.258 -0.482 3.486 1.00 0.00 C ATOM 412 C ALA A 935 -14.176 -1.467 4.205 1.00 0.00 C ATOM 413 O ALA A 935 -15.316 -1.679 3.793 1.00 0.00 O ATOM 414 CB ALA A 935 -12.234 -1.231 2.644 1.00 0.00 C ATOM 0 H ALA A 935 -11.564 0.353 4.394 1.00 0.00 H new ATOM 0 HA ALA A 935 -13.880 0.131 2.834 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -12.749 -1.894 1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.631 -0.516 2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.588 -1.820 3.295 1.00 0.00 H new ATOM 420 N GLN A 936 -13.682 -2.055 5.290 1.00 0.00 N ATOM 421 CA GLN A 936 -14.441 -3.059 6.030 1.00 0.00 C ATOM 422 C GLN A 936 -15.626 -2.439 6.769 1.00 0.00 C ATOM 423 O GLN A 936 -16.644 -3.097 6.987 1.00 0.00 O ATOM 424 CB GLN A 936 -13.541 -3.789 7.029 1.00 0.00 C ATOM 425 CG GLN A 936 -12.371 -4.510 6.385 1.00 0.00 C ATOM 426 CD GLN A 936 -11.533 -5.279 7.386 1.00 0.00 C ATOM 427 OE1 GLN A 936 -11.449 -4.915 8.562 1.00 0.00 O ATOM 428 NE2 GLN A 936 -10.899 -6.346 6.928 1.00 0.00 N ATOM 0 H GLN A 936 -12.760 -1.854 5.677 1.00 0.00 H new ATOM 0 HA GLN A 936 -14.826 -3.772 5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -13.159 -3.069 7.753 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -14.140 -4.511 7.584 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -12.746 -5.198 5.628 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -11.741 -3.784 5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -10.994 -6.614 5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -10.315 -6.900 7.554 1.00 0.00 H new ATOM 437 N HIS A 937 -15.490 -1.179 7.159 1.00 0.00 N ATOM 438 CA HIS A 937 -16.542 -0.507 7.916 1.00 0.00 C ATOM 439 C HIS A 937 -17.584 0.123 7.000 1.00 0.00 C ATOM 440 O HIS A 937 -18.777 0.055 7.279 1.00 0.00 O ATOM 441 CB HIS A 937 -15.954 0.551 8.853 1.00 0.00 C ATOM 442 CG HIS A 937 -15.377 -0.021 10.112 1.00 0.00 C ATOM 443 ND1 HIS A 937 -14.128 -0.447 10.406 1.00 0.00 N flip ATOM 444 CD2 HIS A 937 -16.118 -0.208 11.257 1.00 0.00 C flip ATOM 445 CE1 HIS A 937 -14.137 -0.879 11.707 1.00 0.00 C flip ATOM 446 NE2 HIS A 937 -15.351 -0.723 12.197 1.00 0.00 N flip ATOM 0 H HIS A 937 -14.670 -0.604 6.967 1.00 0.00 H new ATOM 0 HA HIS A 937 -17.040 -1.269 8.516 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -15.177 1.102 8.324 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -16.733 1.268 9.113 1.00 0.00 H new ATOM 0 HD1 HIS A 937 -13.326 -0.447 9.776 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -17.166 0.030 11.368 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -13.289 -1.281 12.242 1.00 0.00 H new ATOM 614 N LEU A 951 -14.943 -7.724 -4.810 1.00 0.00 N ATOM 615 CA LEU A 951 -13.652 -7.221 -5.266 1.00 0.00 C ATOM 616 C LEU A 951 -12.989 -6.414 -4.150 1.00 0.00 C ATOM 617 O LEU A 951 -11.779 -6.513 -3.928 1.00 0.00 O ATOM 618 CB LEU A 951 -13.834 -6.364 -6.530 1.00 0.00 C ATOM 619 CG LEU A 951 -12.620 -6.277 -7.472 1.00 0.00 C ATOM 620 CD1 LEU A 951 -11.488 -5.469 -6.857 1.00 0.00 C ATOM 621 CD2 LEU A 951 -12.134 -7.672 -7.842 1.00 0.00 C ATOM 0 HA LEU A 951 -13.005 -8.062 -5.517 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -14.678 -6.761 -7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -14.103 -5.353 -6.223 1.00 0.00 H new ATOM 0 HG LEU A 951 -12.941 -5.761 -8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.649 -5.430 -7.552 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -11.834 -4.457 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -11.168 -5.940 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -11.275 -7.593 -8.509 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -11.844 -8.208 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -12.935 -8.215 -8.344 1.00 0.00 H new ATOM 633 N LEU A 952 -13.799 -5.641 -3.436 1.00 0.00 N ATOM 634 CA LEU A 952 -13.318 -4.844 -2.314 1.00 0.00 C ATOM 635 C LEU A 952 -12.795 -5.752 -1.204 1.00 0.00 C ATOM 636 O LEU A 952 -11.713 -5.532 -0.667 1.00 0.00 O ATOM 637 CB LEU A 952 -14.446 -3.950 -1.777 1.00 0.00 C ATOM 638 CG LEU A 952 -14.067 -3.044 -0.601 1.00 0.00 C ATOM 639 CD1 LEU A 952 -13.017 -2.028 -1.019 1.00 0.00 C ATOM 640 CD2 LEU A 952 -15.300 -2.346 -0.049 1.00 0.00 C ATOM 0 H LEU A 952 -14.799 -5.549 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 952 -12.502 -4.211 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -14.809 -3.325 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -15.275 -4.587 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 952 -13.641 -3.666 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -12.763 -1.396 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -12.123 -2.549 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -13.410 -1.410 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -15.013 -1.706 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -15.755 -1.739 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -16.017 -3.092 0.295 1.00 0.00 H new ATOM 652 N VAL A 953 -13.563 -6.788 -0.886 1.00 0.00 N ATOM 653 CA VAL A 953 -13.180 -7.741 0.149 1.00 0.00 C ATOM 654 C VAL A 953 -11.920 -8.508 -0.248 1.00 0.00 C ATOM 655 O VAL A 953 -11.003 -8.674 0.559 1.00 0.00 O ATOM 656 CB VAL A 953 -14.316 -8.747 0.438 1.00 0.00 C ATOM 657 CG1 VAL A 953 -13.897 -9.754 1.496 1.00 0.00 C ATOM 658 CG2 VAL A 953 -15.576 -8.015 0.870 1.00 0.00 C ATOM 0 H VAL A 953 -14.458 -6.990 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 953 -12.980 -7.164 1.052 1.00 0.00 H new ATOM 0 HB VAL A 953 -14.527 -9.292 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -14.715 -10.450 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -13.023 -10.305 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -13.651 -9.230 2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -16.367 -8.738 1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -15.372 -7.442 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -15.894 -7.339 0.076 1.00 0.00 H new ATOM 668 N GLN A 954 -11.881 -8.963 -1.495 1.00 0.00 N ATOM 669 CA GLN A 954 -10.743 -9.717 -2.003 1.00 0.00 C ATOM 670 C GLN A 954 -9.460 -8.900 -1.903 1.00 0.00 C ATOM 671 O GLN A 954 -8.460 -9.366 -1.360 1.00 0.00 O ATOM 672 CB GLN A 954 -10.979 -10.129 -3.455 1.00 0.00 C ATOM 673 CG GLN A 954 -9.853 -10.968 -4.038 1.00 0.00 C ATOM 674 CD GLN A 954 -10.055 -11.269 -5.507 1.00 0.00 C ATOM 675 OE1 GLN A 954 -10.676 -12.267 -5.871 1.00 0.00 O ATOM 676 NE2 GLN A 954 -9.526 -10.407 -6.363 1.00 0.00 N ATOM 0 H GLN A 954 -12.628 -8.822 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 954 -10.636 -10.612 -1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -11.911 -10.691 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -11.106 -9.233 -4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -8.907 -10.443 -3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -9.779 -11.905 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -9.019 -9.592 -6.018 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -9.626 -10.558 -7.367 1.00 0.00 H new ATOM 685 N SER A 955 -9.499 -7.675 -2.413 1.00 0.00 N ATOM 686 CA SER A 955 -8.325 -6.816 -2.401 1.00 0.00 C ATOM 687 C SER A 955 -7.944 -6.441 -0.970 1.00 0.00 C ATOM 688 O SER A 955 -6.763 -6.363 -0.639 1.00 0.00 O ATOM 689 CB SER A 955 -8.574 -5.566 -3.246 1.00 0.00 C ATOM 690 OG SER A 955 -9.800 -4.948 -2.901 1.00 0.00 O ATOM 0 H SER A 955 -10.327 -7.257 -2.838 1.00 0.00 H new ATOM 0 HA SER A 955 -7.490 -7.364 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 955 -7.756 -4.860 -3.105 1.00 0.00 H new ATOM 0 HB3 SER A 955 -8.584 -5.835 -4.302 1.00 0.00 H new ATOM 0 HG SER A 955 -10.538 -5.415 -3.346 1.00 0.00 H new ATOM 696 N CYS A 956 -8.952 -6.239 -0.127 1.00 0.00 N ATOM 697 CA CYS A 956 -8.739 -5.940 1.286 1.00 0.00 C ATOM 698 C CYS A 956 -7.886 -7.020 1.950 1.00 0.00 C ATOM 699 O CYS A 956 -6.911 -6.719 2.641 1.00 0.00 O ATOM 700 CB CYS A 956 -10.086 -5.816 2.003 1.00 0.00 C ATOM 701 SG CYS A 956 -9.963 -5.587 3.790 1.00 0.00 S ATOM 0 H CYS A 956 -9.934 -6.277 -0.401 1.00 0.00 H new ATOM 0 HA CYS A 956 -8.206 -4.992 1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -10.634 -4.975 1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -10.674 -6.712 1.804 1.00 0.00 H new ATOM 0 HG CYS A 956 -10.696 -4.576 4.149 1.00 0.00 H new ATOM 707 N LYS A 957 -8.252 -8.277 1.731 1.00 0.00 N ATOM 708 CA LYS A 957 -7.508 -9.392 2.299 1.00 0.00 C ATOM 709 C LYS A 957 -6.161 -9.552 1.605 1.00 0.00 C ATOM 710 O LYS A 957 -5.147 -9.804 2.256 1.00 0.00 O ATOM 711 CB LYS A 957 -8.316 -10.688 2.202 1.00 0.00 C ATOM 712 CG LYS A 957 -9.574 -10.675 3.053 1.00 0.00 C ATOM 713 CD LYS A 957 -10.286 -12.016 3.019 1.00 0.00 C ATOM 714 CE LYS A 957 -11.468 -12.035 3.974 1.00 0.00 C ATOM 715 NZ LYS A 957 -12.128 -13.365 4.013 1.00 0.00 N ATOM 0 H LYS A 957 -9.057 -8.548 1.166 1.00 0.00 H new ATOM 0 HA LYS A 957 -7.328 -9.176 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -8.591 -10.860 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -7.687 -11.524 2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -9.315 -10.426 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -10.247 -9.896 2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -10.631 -12.222 2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -9.587 -12.809 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -11.130 -11.768 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -12.192 -11.279 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -12.929 -13.336 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -12.474 -13.609 3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -11.444 -14.083 4.328 1.00 0.00 H new ATOM 729 N ALA A 958 -6.157 -9.385 0.286 1.00 0.00 N ATOM 730 CA ALA A 958 -4.932 -9.477 -0.500 1.00 0.00 C ATOM 731 C ALA A 958 -3.879 -8.501 0.014 1.00 0.00 C ATOM 732 O ALA A 958 -2.725 -8.874 0.233 1.00 0.00 O ATOM 733 CB ALA A 958 -5.226 -9.205 -1.967 1.00 0.00 C ATOM 0 H ALA A 958 -6.993 -9.184 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 958 -4.539 -10.489 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -4.303 -9.277 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.942 -9.939 -2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -5.644 -8.204 -2.075 1.00 0.00 H new ATOM 739 N VAL A 959 -4.289 -7.255 0.216 1.00 0.00 N ATOM 740 CA VAL A 959 -3.399 -6.221 0.724 1.00 0.00 C ATOM 741 C VAL A 959 -2.932 -6.551 2.139 1.00 0.00 C ATOM 742 O VAL A 959 -1.754 -6.399 2.462 1.00 0.00 O ATOM 743 CB VAL A 959 -4.087 -4.838 0.714 1.00 0.00 C ATOM 744 CG1 VAL A 959 -3.232 -3.793 1.408 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.387 -4.410 -0.711 1.00 0.00 C ATOM 0 H VAL A 959 -5.240 -6.935 0.034 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.532 -6.185 0.064 1.00 0.00 H new ATOM 0 HB VAL A 959 -5.024 -4.925 1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.743 -2.831 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -3.064 -4.089 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.274 -3.708 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -4.872 -3.434 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.457 -4.349 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -5.048 -5.140 -1.179 1.00 0.00 H new ATOM 755 N ALA A 960 -3.855 -7.037 2.963 1.00 0.00 N ATOM 756 CA ALA A 960 -3.556 -7.370 4.354 1.00 0.00 C ATOM 757 C ALA A 960 -2.437 -8.406 4.459 1.00 0.00 C ATOM 758 O ALA A 960 -1.714 -8.449 5.456 1.00 0.00 O ATOM 759 CB ALA A 960 -4.807 -7.875 5.056 1.00 0.00 C ATOM 0 H ALA A 960 -4.822 -7.210 2.690 1.00 0.00 H new ATOM 0 HA ALA A 960 -3.212 -6.460 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -4.570 -8.119 6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.575 -7.102 5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -5.175 -8.767 4.548 1.00 0.00 H new ATOM 765 N GLU A 961 -2.299 -9.232 3.429 1.00 0.00 N ATOM 766 CA GLU A 961 -1.266 -10.264 3.397 1.00 0.00 C ATOM 767 C GLU A 961 0.072 -9.691 2.923 1.00 0.00 C ATOM 768 O GLU A 961 1.136 -10.203 3.275 1.00 0.00 O ATOM 769 CB GLU A 961 -1.690 -11.403 2.468 1.00 0.00 C ATOM 770 CG GLU A 961 -3.029 -12.029 2.827 1.00 0.00 C ATOM 771 CD GLU A 961 -3.015 -12.726 4.170 1.00 0.00 C ATOM 772 OE1 GLU A 961 -2.606 -13.905 4.232 1.00 0.00 O ATOM 773 OE2 GLU A 961 -3.406 -12.095 5.174 1.00 0.00 O ATOM 0 H GLU A 961 -2.892 -9.208 2.600 1.00 0.00 H new ATOM 0 HA GLU A 961 -1.141 -10.645 4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.739 -11.026 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.923 -12.177 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -3.796 -11.254 2.834 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -3.307 -12.746 2.055 1.00 0.00 H new ATOM 780 N GLN A 962 0.011 -8.624 2.137 1.00 0.00 N ATOM 781 CA GLN A 962 1.210 -8.037 1.543 1.00 0.00 C ATOM 782 C GLN A 962 1.843 -7.001 2.475 1.00 0.00 C ATOM 783 O GLN A 962 3.048 -6.762 2.417 1.00 0.00 O ATOM 784 CB GLN A 962 0.869 -7.390 0.198 1.00 0.00 C ATOM 785 CG GLN A 962 0.315 -8.360 -0.832 1.00 0.00 C ATOM 786 CD GLN A 962 1.307 -9.433 -1.233 1.00 0.00 C ATOM 787 OE1 GLN A 962 2.518 -9.214 -1.238 1.00 0.00 O ATOM 788 NE2 GLN A 962 0.798 -10.602 -1.576 1.00 0.00 N ATOM 0 H GLN A 962 -0.856 -8.145 1.894 1.00 0.00 H new ATOM 0 HA GLN A 962 1.933 -8.838 1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 962 0.141 -6.596 0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 962 1.766 -6.921 -0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 962 -0.581 -8.834 -0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 962 0.012 -7.804 -1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 962 -0.212 -10.743 -1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 962 1.415 -11.364 -1.858 1.00 0.00 H new ATOM 797 N ILE A 963 1.022 -6.399 3.331 1.00 0.00 N ATOM 798 CA ILE A 963 1.491 -5.392 4.290 1.00 0.00 C ATOM 799 C ILE A 963 2.680 -5.889 5.137 1.00 0.00 C ATOM 800 O ILE A 963 3.702 -5.205 5.215 1.00 0.00 O ATOM 801 CB ILE A 963 0.346 -4.921 5.221 1.00 0.00 C ATOM 802 CG1 ILE A 963 -0.734 -4.208 4.403 1.00 0.00 C ATOM 803 CG2 ILE A 963 0.876 -4.005 6.318 1.00 0.00 C ATOM 804 CD1 ILE A 963 -1.942 -3.791 5.211 1.00 0.00 C ATOM 0 H ILE A 963 0.021 -6.590 3.383 1.00 0.00 H new ATOM 0 HA ILE A 963 1.836 -4.547 3.694 1.00 0.00 H new ATOM 0 HB ILE A 963 -0.092 -5.797 5.699 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.298 -3.324 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -1.058 -4.866 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 963 0.052 -3.689 6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.613 -4.541 6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 963 1.342 -3.129 5.867 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -2.661 -3.293 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.405 -4.672 5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -1.633 -3.107 6.001 1.00 0.00 H new ATOM 816 N PRO A 964 2.583 -7.077 5.779 1.00 0.00 N ATOM 817 CA PRO A 964 3.690 -7.630 6.570 1.00 0.00 C ATOM 818 C PRO A 964 4.965 -7.810 5.749 1.00 0.00 C ATOM 819 O PRO A 964 6.068 -7.707 6.281 1.00 0.00 O ATOM 820 CB PRO A 964 3.169 -8.991 7.041 1.00 0.00 C ATOM 821 CG PRO A 964 1.688 -8.893 6.951 1.00 0.00 C ATOM 822 CD PRO A 964 1.399 -7.958 5.812 1.00 0.00 C ATOM 0 HA PRO A 964 3.965 -6.961 7.386 1.00 0.00 H new ATOM 0 HB2 PRO A 964 3.549 -9.797 6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 964 3.488 -9.204 8.061 1.00 0.00 H new ATOM 0 HG2 PRO A 964 1.243 -9.872 6.773 1.00 0.00 H new ATOM 0 HG3 PRO A 964 1.265 -8.515 7.882 1.00 0.00 H new ATOM 0 HD2 PRO A 964 1.273 -8.497 4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.483 -7.392 5.980 1.00 0.00 H new ATOM 830 N LEU A 965 4.811 -8.069 4.453 1.00 0.00 N ATOM 831 CA LEU A 965 5.958 -8.246 3.570 1.00 0.00 C ATOM 832 C LEU A 965 6.708 -6.934 3.390 1.00 0.00 C ATOM 833 O LEU A 965 7.942 -6.917 3.350 1.00 0.00 O ATOM 834 CB LEU A 965 5.524 -8.802 2.212 1.00 0.00 C ATOM 835 CG LEU A 965 5.072 -10.263 2.228 1.00 0.00 C ATOM 836 CD1 LEU A 965 4.629 -10.699 0.841 1.00 0.00 C ATOM 837 CD2 LEU A 965 6.195 -11.156 2.733 1.00 0.00 C ATOM 0 H LEU A 965 3.905 -8.161 3.993 1.00 0.00 H new ATOM 0 HA LEU A 965 6.630 -8.967 4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 965 4.708 -8.189 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 965 6.354 -8.701 1.513 1.00 0.00 H new ATOM 0 HG LEU A 965 4.222 -10.356 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 965 4.311 -11.741 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 965 3.798 -10.075 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 965 5.460 -10.594 0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 965 5.860 -12.193 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 965 7.060 -11.058 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 965 6.470 -10.857 3.744 1.00 0.00 H new ATOM 849 N LEU A 966 5.959 -5.837 3.291 1.00 0.00 N ATOM 850 CA LEU A 966 6.555 -4.508 3.219 1.00 0.00 C ATOM 851 C LEU A 966 7.431 -4.265 4.429 1.00 0.00 C ATOM 852 O LEU A 966 8.635 -4.057 4.308 1.00 0.00 O ATOM 853 CB LEU A 966 5.485 -3.421 3.183 1.00 0.00 C ATOM 854 CG LEU A 966 4.645 -3.345 1.917 1.00 0.00 C ATOM 855 CD1 LEU A 966 3.600 -2.255 2.069 1.00 0.00 C ATOM 856 CD2 LEU A 966 5.527 -3.078 0.707 1.00 0.00 C ATOM 0 H LEU A 966 4.940 -5.844 3.259 1.00 0.00 H new ATOM 0 HA LEU A 966 7.145 -4.465 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.815 -3.572 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 966 5.972 -2.457 3.329 1.00 0.00 H new ATOM 0 HG LEU A 966 4.143 -4.300 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 966 2.997 -2.200 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 966 2.957 -2.484 2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 966 4.094 -1.298 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 966 4.909 -3.027 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 966 6.051 -2.132 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.253 -3.884 0.601 1.00 0.00 H new ATOM 868 N VAL A 967 6.807 -4.311 5.597 1.00 0.00 N ATOM 869 CA VAL A 967 7.486 -4.028 6.849 1.00 0.00 C ATOM 870 C VAL A 967 8.657 -4.976 7.070 1.00 0.00 C ATOM 871 O VAL A 967 9.729 -4.550 7.500 1.00 0.00 O ATOM 872 CB VAL A 967 6.505 -4.102 8.036 1.00 0.00 C ATOM 873 CG1 VAL A 967 7.232 -3.881 9.357 1.00 0.00 C ATOM 874 CG2 VAL A 967 5.389 -3.078 7.851 1.00 0.00 C ATOM 0 H VAL A 967 5.820 -4.545 5.702 1.00 0.00 H new ATOM 0 HA VAL A 967 7.879 -3.013 6.787 1.00 0.00 H new ATOM 0 HB VAL A 967 6.064 -5.099 8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 967 6.518 -3.938 10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 967 7.995 -4.649 9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 967 7.703 -2.898 9.353 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.699 -3.135 8.693 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.818 -2.077 7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.851 -3.289 6.927 1.00 0.00 H new ATOM 884 N GLN A 968 8.458 -6.253 6.749 1.00 0.00 N ATOM 885 CA GLN A 968 9.526 -7.244 6.840 1.00 0.00 C ATOM 886 C GLN A 968 10.698 -6.832 5.959 1.00 0.00 C ATOM 887 O GLN A 968 11.858 -6.948 6.352 1.00 0.00 O ATOM 888 CB GLN A 968 9.012 -8.623 6.418 1.00 0.00 C ATOM 889 CG GLN A 968 10.049 -9.728 6.540 1.00 0.00 C ATOM 890 CD GLN A 968 9.529 -11.064 6.052 1.00 0.00 C ATOM 891 OE1 GLN A 968 9.665 -11.406 4.876 1.00 0.00 O ATOM 892 NE2 GLN A 968 8.924 -11.828 6.948 1.00 0.00 N ATOM 0 H GLN A 968 7.566 -6.625 6.423 1.00 0.00 H new ATOM 0 HA GLN A 968 9.862 -7.299 7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 968 8.147 -8.880 7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 968 8.669 -8.572 5.385 1.00 0.00 H new ATOM 0 HG2 GLN A 968 10.936 -9.455 5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 968 10.358 -9.820 7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 968 8.832 -11.508 7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 968 8.550 -12.737 6.674 1.00 0.00 H new ATOM 901 N GLY A 969 10.381 -6.339 4.768 1.00 0.00 N ATOM 902 CA GLY A 969 11.404 -5.844 3.872 1.00 0.00 C ATOM 903 C GLY A 969 12.087 -4.613 4.426 1.00 0.00 C ATOM 904 O GLY A 969 13.310 -4.505 4.374 1.00 0.00 O ATOM 0 H GLY A 969 9.429 -6.274 4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 969 12.145 -6.624 3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 969 10.958 -5.609 2.906 1.00 0.00 H new ATOM 908 N VAL A 970 11.292 -3.691 4.964 1.00 0.00 N ATOM 909 CA VAL A 970 11.816 -2.466 5.562 1.00 0.00 C ATOM 910 C VAL A 970 12.816 -2.793 6.669 1.00 0.00 C ATOM 911 O VAL A 970 13.988 -2.432 6.586 1.00 0.00 O ATOM 912 CB VAL A 970 10.690 -1.583 6.150 1.00 0.00 C ATOM 913 CG1 VAL A 970 11.255 -0.279 6.692 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.618 -1.300 5.110 1.00 0.00 C ATOM 0 H VAL A 970 10.276 -3.771 4.998 1.00 0.00 H new ATOM 0 HA VAL A 970 12.311 -1.913 4.764 1.00 0.00 H new ATOM 0 HB VAL A 970 10.232 -2.132 6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 970 10.446 0.326 7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.979 -0.495 7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.746 0.267 5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.839 -0.678 5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 970 10.062 -0.779 4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 970 9.183 -2.240 4.771 1.00 0.00 H new ATOM 924 N ARG A 971 12.355 -3.507 7.689 1.00 0.00 N ATOM 925 CA ARG A 971 13.205 -3.847 8.825 1.00 0.00 C ATOM 926 C ARG A 971 14.363 -4.744 8.398 1.00 0.00 C ATOM 927 O ARG A 971 15.464 -4.646 8.939 1.00 0.00 O ATOM 928 CB ARG A 971 12.395 -4.514 9.938 1.00 0.00 C ATOM 929 CG ARG A 971 11.619 -5.729 9.476 1.00 0.00 C ATOM 930 CD ARG A 971 10.989 -6.470 10.639 1.00 0.00 C ATOM 931 NE ARG A 971 10.085 -5.620 11.409 1.00 0.00 N ATOM 932 CZ ARG A 971 9.331 -6.060 12.412 1.00 0.00 C ATOM 933 NH1 ARG A 971 9.388 -7.331 12.786 1.00 0.00 N ATOM 934 NH2 ARG A 971 8.527 -5.221 13.052 1.00 0.00 N ATOM 0 H ARG A 971 11.401 -3.861 7.754 1.00 0.00 H new ATOM 0 HA ARG A 971 13.620 -2.917 9.214 1.00 0.00 H new ATOM 0 HB2 ARG A 971 13.070 -4.808 10.741 1.00 0.00 H new ATOM 0 HB3 ARG A 971 11.700 -3.786 10.356 1.00 0.00 H new ATOM 0 HG2 ARG A 971 10.841 -5.420 8.778 1.00 0.00 H new ATOM 0 HG3 ARG A 971 12.285 -6.401 8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 971 10.441 -7.334 10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 971 11.773 -6.850 11.293 1.00 0.00 H new ATOM 0 HE ARG A 971 10.029 -4.632 11.163 1.00 0.00 H new ATOM 0 HH11 ARG A 971 10.013 -7.977 12.304 1.00 0.00 H new ATOM 0 HH12 ARG A 971 8.807 -7.663 13.556 1.00 0.00 H new ATOM 0 HH21 ARG A 971 8.488 -4.240 12.774 1.00 0.00 H new ATOM 0 HH22 ARG A 971 7.948 -5.557 13.822 1.00 0.00 H new ATOM 948 N GLY A 972 14.117 -5.601 7.415 1.00 0.00 N ATOM 949 CA GLY A 972 15.164 -6.467 6.908 1.00 0.00 C ATOM 950 C GLY A 972 16.261 -5.688 6.208 1.00 0.00 C ATOM 951 O GLY A 972 17.443 -6.010 6.342 1.00 0.00 O ATOM 0 H GLY A 972 13.211 -5.712 6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 972 15.594 -7.036 7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 972 14.733 -7.188 6.214 1.00 0.00 H new ATOM 955 N SER A 973 15.868 -4.655 5.471 1.00 0.00 N ATOM 956 CA SER A 973 16.820 -3.818 4.757 1.00 0.00 C ATOM 957 C SER A 973 17.571 -2.902 5.729 1.00 0.00 C ATOM 958 O SER A 973 18.648 -2.397 5.417 1.00 0.00 O ATOM 959 CB SER A 973 16.097 -3.000 3.678 1.00 0.00 C ATOM 960 OG SER A 973 15.219 -2.044 4.246 1.00 0.00 O ATOM 0 H SER A 973 14.893 -4.378 5.353 1.00 0.00 H new ATOM 0 HA SER A 973 17.554 -4.460 4.269 1.00 0.00 H new ATOM 0 HB2 SER A 973 16.832 -2.493 3.052 1.00 0.00 H new ATOM 0 HB3 SER A 973 15.534 -3.671 3.029 1.00 0.00 H new ATOM 0 HG SER A 973 14.876 -2.381 5.100 1.00 0.00 H new ATOM 966 N GLN A 974 16.993 -2.694 6.910 1.00 0.00 N ATOM 967 CA GLN A 974 17.642 -1.901 7.948 1.00 0.00 C ATOM 968 C GLN A 974 18.601 -2.764 8.756 1.00 0.00 C ATOM 969 O GLN A 974 19.619 -2.281 9.254 1.00 0.00 O ATOM 970 CB GLN A 974 16.610 -1.280 8.892 1.00 0.00 C ATOM 971 CG GLN A 974 15.603 -0.379 8.203 1.00 0.00 C ATOM 972 CD GLN A 974 14.650 0.279 9.178 1.00 0.00 C ATOM 973 OE1 GLN A 974 14.353 -0.261 10.246 1.00 0.00 O ATOM 974 NE2 GLN A 974 14.158 1.448 8.814 1.00 0.00 N ATOM 0 H GLN A 974 16.079 -3.063 7.170 1.00 0.00 H new ATOM 0 HA GLN A 974 18.196 -1.103 7.454 1.00 0.00 H new ATOM 0 HB2 GLN A 974 16.075 -2.079 9.405 1.00 0.00 H new ATOM 0 HB3 GLN A 974 17.133 -0.705 9.656 1.00 0.00 H new ATOM 0 HG2 GLN A 974 16.133 0.391 7.643 1.00 0.00 H new ATOM 0 HG3 GLN A 974 15.033 -0.963 7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 974 14.430 1.860 7.921 1.00 0.00 H new ATOM 0 HE22 GLN A 974 13.506 1.940 9.425 1.00 0.00 H new ATOM 983 N ALA A 975 18.259 -4.040 8.895 1.00 0.00 N ATOM 984 CA ALA A 975 19.077 -4.978 9.650 1.00 0.00 C ATOM 985 C ALA A 975 20.415 -5.198 8.960 1.00 0.00 C ATOM 986 O ALA A 975 21.471 -5.044 9.569 1.00 0.00 O ATOM 987 CB ALA A 975 18.343 -6.298 9.829 1.00 0.00 C ATOM 0 H ALA A 975 17.416 -4.449 8.492 1.00 0.00 H new ATOM 0 HA ALA A 975 19.267 -4.553 10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 975 18.968 -6.988 10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 975 17.412 -6.126 10.368 1.00 0.00 H new ATOM 0 HB3 ALA A 975 18.122 -6.727 8.852 1.00 0.00 H new ATOM 993 N GLN A 976 20.363 -5.544 7.681 1.00 0.00 N ATOM 994 CA GLN A 976 21.574 -5.736 6.899 1.00 0.00 C ATOM 995 C GLN A 976 21.557 -4.860 5.650 1.00 0.00 C ATOM 996 O GLN A 976 21.291 -5.340 4.551 1.00 0.00 O ATOM 997 CB GLN A 976 21.745 -7.207 6.506 1.00 0.00 C ATOM 998 CG GLN A 976 22.086 -8.120 7.674 1.00 0.00 C ATOM 999 CD GLN A 976 23.438 -7.804 8.288 1.00 0.00 C ATOM 1000 OE1 GLN A 976 23.543 -6.999 9.212 1.00 0.00 O ATOM 1001 NE2 GLN A 976 24.481 -8.426 7.769 1.00 0.00 N ATOM 0 H GLN A 976 19.497 -5.697 7.165 1.00 0.00 H new ATOM 0 HA GLN A 976 22.420 -5.443 7.520 1.00 0.00 H new ATOM 0 HB2 GLN A 976 20.824 -7.558 6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 976 22.532 -7.284 5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 976 21.314 -8.029 8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 976 22.079 -9.156 7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 976 24.351 -9.087 7.003 1.00 0.00 H new ATOM 0 HE22 GLN A 976 25.416 -8.246 8.134 1.00 0.00 H new ATOM 1010 N PRO A 977 21.834 -3.553 5.805 1.00 0.00 N ATOM 1011 CA PRO A 977 21.871 -2.619 4.677 1.00 0.00 C ATOM 1012 C PRO A 977 23.122 -2.819 3.832 1.00 0.00 C ATOM 1013 O PRO A 977 23.223 -2.326 2.706 1.00 0.00 O ATOM 1014 CB PRO A 977 21.882 -1.247 5.349 1.00 0.00 C ATOM 1015 CG PRO A 977 22.503 -1.482 6.681 1.00 0.00 C ATOM 1016 CD PRO A 977 22.126 -2.882 7.087 1.00 0.00 C ATOM 0 HA PRO A 977 21.033 -2.754 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 977 22.455 -0.526 4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 977 20.873 -0.847 5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 977 23.586 -1.371 6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 977 22.143 -0.756 7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 977 22.938 -3.376 7.621 1.00 0.00 H new ATOM 0 HD3 PRO A 977 21.259 -2.887 7.748 1.00 0.00 H new ATOM 1024 N ASP A 978 24.073 -3.551 4.399 1.00 0.00 N ATOM 1025 CA ASP A 978 25.309 -3.897 3.709 1.00 0.00 C ATOM 1026 C ASP A 978 25.035 -4.957 2.653 1.00 0.00 C ATOM 1027 O ASP A 978 25.847 -5.185 1.756 1.00 0.00 O ATOM 1028 CB ASP A 978 26.344 -4.427 4.709 1.00 0.00 C ATOM 1029 CG ASP A 978 26.653 -3.444 5.820 1.00 0.00 C ATOM 1030 OD1 ASP A 978 25.873 -3.379 6.797 1.00 0.00 O ATOM 1031 OD2 ASP A 978 27.678 -2.739 5.731 1.00 0.00 O ATOM 0 H ASP A 978 24.009 -3.921 5.348 1.00 0.00 H new ATOM 0 HA ASP A 978 25.702 -3.001 3.229 1.00 0.00 H new ATOM 0 HB2 ASP A 978 25.977 -5.356 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 978 27.265 -4.667 4.177 1.00 0.00 H new ATOM 1036 N SER A 979 23.883 -5.603 2.770 1.00 0.00 N ATOM 1037 CA SER A 979 23.504 -6.665 1.862 1.00 0.00 C ATOM 1038 C SER A 979 22.486 -6.158 0.846 1.00 0.00 C ATOM 1039 O SER A 979 21.384 -5.741 1.210 1.00 0.00 O ATOM 1040 CB SER A 979 22.926 -7.845 2.647 1.00 0.00 C ATOM 1041 OG SER A 979 22.522 -8.886 1.780 1.00 0.00 O ATOM 0 H SER A 979 23.192 -5.404 3.494 1.00 0.00 H new ATOM 0 HA SER A 979 24.392 -6.999 1.325 1.00 0.00 H new ATOM 0 HB2 SER A 979 23.672 -8.220 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 979 22.074 -7.510 3.239 1.00 0.00 H new ATOM 0 HG SER A 979 22.158 -9.628 2.307 1.00 0.00 H new ATOM 1047 N PRO A 980 22.844 -6.178 -0.444 1.00 0.00 N ATOM 1048 CA PRO A 980 21.948 -5.737 -1.513 1.00 0.00 C ATOM 1049 C PRO A 980 20.709 -6.620 -1.625 1.00 0.00 C ATOM 1050 O PRO A 980 19.626 -6.141 -1.942 1.00 0.00 O ATOM 1051 CB PRO A 980 22.805 -5.845 -2.778 1.00 0.00 C ATOM 1052 CG PRO A 980 23.900 -6.793 -2.430 1.00 0.00 C ATOM 1053 CD PRO A 980 24.151 -6.617 -0.959 1.00 0.00 C ATOM 0 HA PRO A 980 21.567 -4.731 -1.335 1.00 0.00 H new ATOM 0 HB2 PRO A 980 22.219 -6.213 -3.620 1.00 0.00 H new ATOM 0 HB3 PRO A 980 23.204 -4.873 -3.068 1.00 0.00 H new ATOM 0 HG2 PRO A 980 23.613 -7.820 -2.656 1.00 0.00 H new ATOM 0 HG3 PRO A 980 24.799 -6.579 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 980 24.476 -7.547 -0.492 1.00 0.00 H new ATOM 0 HD3 PRO A 980 24.928 -5.876 -0.769 1.00 0.00 H new ATOM 1061 N SER A 981 20.861 -7.904 -1.324 1.00 0.00 N ATOM 1062 CA SER A 981 19.744 -8.834 -1.404 1.00 0.00 C ATOM 1063 C SER A 981 18.705 -8.530 -0.330 1.00 0.00 C ATOM 1064 O SER A 981 17.530 -8.866 -0.476 1.00 0.00 O ATOM 1065 CB SER A 981 20.245 -10.276 -1.289 1.00 0.00 C ATOM 1066 OG SER A 981 21.203 -10.403 -0.251 1.00 0.00 O ATOM 0 H SER A 981 21.742 -8.322 -1.024 1.00 0.00 H new ATOM 0 HA SER A 981 19.263 -8.713 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 981 19.404 -10.942 -1.095 1.00 0.00 H new ATOM 0 HB3 SER A 981 20.687 -10.587 -2.236 1.00 0.00 H new ATOM 0 HG SER A 981 21.208 -9.587 0.291 1.00 0.00 H new ATOM 1072 N ALA A 982 19.138 -7.876 0.741 1.00 0.00 N ATOM 1073 CA ALA A 982 18.229 -7.460 1.798 1.00 0.00 C ATOM 1074 C ALA A 982 17.383 -6.276 1.342 1.00 0.00 C ATOM 1075 O ALA A 982 16.190 -6.204 1.632 1.00 0.00 O ATOM 1076 CB ALA A 982 18.998 -7.113 3.063 1.00 0.00 C ATOM 0 H ALA A 982 20.113 -7.623 0.899 1.00 0.00 H new ATOM 0 HA ALA A 982 17.562 -8.292 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 982 18.299 -6.805 3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 982 19.555 -7.987 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 982 19.692 -6.299 2.855 1.00 0.00 H new ATOM 1082 N GLN A 983 17.997 -5.354 0.607 1.00 0.00 N ATOM 1083 CA GLN A 983 17.274 -4.200 0.092 1.00 0.00 C ATOM 1084 C GLN A 983 16.439 -4.614 -1.116 1.00 0.00 C ATOM 1085 O GLN A 983 15.394 -4.026 -1.391 1.00 0.00 O ATOM 1086 CB GLN A 983 18.238 -3.054 -0.261 1.00 0.00 C ATOM 1087 CG GLN A 983 18.928 -3.185 -1.607 1.00 0.00 C ATOM 1088 CD GLN A 983 18.362 -2.254 -2.665 1.00 0.00 C ATOM 1089 OE1 GLN A 983 17.107 -1.867 -2.514 1.00 0.00 O flip ATOM 1090 NE2 GLN A 983 19.059 -1.863 -3.597 1.00 0.00 N flip ATOM 0 H GLN A 983 18.985 -5.384 0.357 1.00 0.00 H new ATOM 0 HA GLN A 983 16.604 -3.829 0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 983 17.684 -2.115 -0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 983 19.000 -2.989 0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 983 19.991 -2.980 -1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 983 18.840 -4.215 -1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 983 20.024 -2.183 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 983 18.673 -1.218 -4.287 1.00 0.00 H new ATOM 1099 N LEU A 984 16.907 -5.632 -1.829 1.00 0.00 N ATOM 1100 CA LEU A 984 16.142 -6.219 -2.923 1.00 0.00 C ATOM 1101 C LEU A 984 14.883 -6.881 -2.383 1.00 0.00 C ATOM 1102 O LEU A 984 13.838 -6.870 -3.030 1.00 0.00 O ATOM 1103 CB LEU A 984 16.984 -7.237 -3.698 1.00 0.00 C ATOM 1104 CG LEU A 984 17.580 -6.737 -5.022 1.00 0.00 C ATOM 1105 CD1 LEU A 984 16.475 -6.352 -5.996 1.00 0.00 C ATOM 1106 CD2 LEU A 984 18.516 -5.559 -4.794 1.00 0.00 C ATOM 0 H LEU A 984 17.815 -6.069 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 984 15.859 -5.421 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 984 17.800 -7.570 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 984 16.365 -8.110 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 984 18.160 -7.552 -5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 984 16.918 -6.000 -6.928 1.00 0.00 H new ATOM 0 HD12 LEU A 984 15.848 -7.221 -6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 984 15.867 -5.559 -5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 984 18.922 -5.227 -5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 984 17.965 -4.741 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 984 19.332 -5.864 -4.139 1.00 0.00 H new ATOM 1118 N ALA A 985 14.986 -7.436 -1.179 1.00 0.00 N ATOM 1119 CA ALA A 985 13.837 -8.025 -0.502 1.00 0.00 C ATOM 1120 C ALA A 985 12.791 -6.957 -0.200 1.00 0.00 C ATOM 1121 O ALA A 985 11.591 -7.239 -0.152 1.00 0.00 O ATOM 1122 CB ALA A 985 14.270 -8.723 0.778 1.00 0.00 C ATOM 0 H ALA A 985 15.857 -7.490 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 985 13.392 -8.768 -1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 985 13.399 -9.156 1.269 1.00 0.00 H new ATOM 0 HB2 ALA A 985 14.982 -9.513 0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 985 14.740 -8.001 1.445 1.00 0.00 H new ATOM 1128 N LEU A 986 13.255 -5.729 0.014 1.00 0.00 N ATOM 1129 CA LEU A 986 12.358 -4.599 0.195 1.00 0.00 C ATOM 1130 C LEU A 986 11.655 -4.304 -1.130 1.00 0.00 C ATOM 1131 O LEU A 986 10.431 -4.191 -1.188 1.00 0.00 O ATOM 1132 CB LEU A 986 13.136 -3.361 0.662 1.00 0.00 C ATOM 1133 CG LEU A 986 12.416 -2.451 1.668 1.00 0.00 C ATOM 1134 CD1 LEU A 986 13.215 -1.178 1.892 1.00 0.00 C ATOM 1135 CD2 LEU A 986 11.004 -2.117 1.211 1.00 0.00 C ATOM 0 H LEU A 986 14.246 -5.494 0.066 1.00 0.00 H new ATOM 0 HA LEU A 986 11.620 -4.846 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 986 14.073 -3.693 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 986 13.394 -2.767 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 986 12.339 -2.993 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 986 12.693 -0.542 2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 986 14.201 -1.431 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 986 13.325 -0.646 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 986 10.526 -1.472 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 986 11.044 -1.603 0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 986 10.428 -3.037 1.106 1.00 0.00 H new ATOM 1147 N ILE A 987 12.451 -4.209 -2.195 1.00 0.00 N ATOM 1148 CA ILE A 987 11.941 -3.924 -3.537 1.00 0.00 C ATOM 1149 C ILE A 987 10.913 -4.968 -3.967 1.00 0.00 C ATOM 1150 O ILE A 987 9.818 -4.627 -4.423 1.00 0.00 O ATOM 1151 CB ILE A 987 13.082 -3.893 -4.578 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.150 -2.878 -4.167 1.00 0.00 C ATOM 1153 CG2 ILE A 987 12.537 -3.563 -5.961 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.372 -2.886 -5.058 1.00 0.00 C ATOM 0 H ILE A 987 13.463 -4.327 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 987 11.468 -2.943 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 987 13.540 -4.881 -4.617 1.00 0.00 H new ATOM 0 HG12 ILE A 987 13.712 -1.880 -4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.458 -3.083 -3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 987 13.356 -3.546 -6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 987 11.811 -4.320 -6.256 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.054 -2.586 -5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.085 -2.141 -4.705 1.00 0.00 H new ATOM 0 HD12 ILE A 987 15.835 -3.872 -5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.078 -2.651 -6.081 1.00 0.00 H new ATOM 1166 N ALA A 988 11.278 -6.236 -3.810 1.00 0.00 N ATOM 1167 CA ALA A 988 10.406 -7.344 -4.174 1.00 0.00 C ATOM 1168 C ALA A 988 9.068 -7.247 -3.454 1.00 0.00 C ATOM 1169 O ALA A 988 8.011 -7.355 -4.078 1.00 0.00 O ATOM 1170 CB ALA A 988 11.082 -8.669 -3.856 1.00 0.00 C ATOM 0 H ALA A 988 12.180 -6.522 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 988 10.217 -7.291 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 988 10.421 -9.490 -4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 988 12.012 -8.747 -4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 988 11.298 -8.720 -2.789 1.00 0.00 H new ATOM 1176 N ALA A 989 9.127 -7.021 -2.146 1.00 0.00 N ATOM 1177 CA ALA A 989 7.927 -6.893 -1.332 1.00 0.00 C ATOM 1178 C ALA A 989 7.100 -5.688 -1.762 1.00 0.00 C ATOM 1179 O ALA A 989 5.874 -5.757 -1.821 1.00 0.00 O ATOM 1180 CB ALA A 989 8.298 -6.777 0.136 1.00 0.00 C ATOM 0 H ALA A 989 9.999 -6.922 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 989 7.323 -7.789 -1.476 1.00 0.00 H new ATOM 0 HB1 ALA A 989 7.392 -6.682 0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 989 8.844 -7.668 0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 989 8.925 -5.898 0.285 1.00 0.00 H new ATOM 1186 N SER A 990 7.780 -4.591 -2.077 1.00 0.00 N ATOM 1187 CA SER A 990 7.113 -3.374 -2.512 1.00 0.00 C ATOM 1188 C SER A 990 6.301 -3.621 -3.780 1.00 0.00 C ATOM 1189 O SER A 990 5.119 -3.291 -3.842 1.00 0.00 O ATOM 1190 CB SER A 990 8.139 -2.266 -2.748 1.00 0.00 C ATOM 1191 OG SER A 990 8.895 -2.015 -1.577 1.00 0.00 O ATOM 0 H SER A 990 8.797 -4.522 -2.038 1.00 0.00 H new ATOM 0 HA SER A 990 6.427 -3.060 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 990 8.806 -2.551 -3.562 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.629 -1.354 -3.058 1.00 0.00 H new ATOM 0 HG SER A 990 9.603 -2.687 -1.495 1.00 0.00 H new ATOM 1197 N GLN A 991 6.931 -4.232 -4.777 1.00 0.00 N ATOM 1198 CA GLN A 991 6.257 -4.520 -6.038 1.00 0.00 C ATOM 1199 C GLN A 991 5.189 -5.595 -5.851 1.00 0.00 C ATOM 1200 O GLN A 991 4.163 -5.593 -6.534 1.00 0.00 O ATOM 1201 CB GLN A 991 7.269 -4.945 -7.103 1.00 0.00 C ATOM 1202 CG GLN A 991 8.232 -3.835 -7.500 1.00 0.00 C ATOM 1203 CD GLN A 991 9.133 -4.219 -8.655 1.00 0.00 C ATOM 1204 OE1 GLN A 991 8.761 -5.025 -9.508 1.00 0.00 O ATOM 1205 NE2 GLN A 991 10.321 -3.638 -8.701 1.00 0.00 N ATOM 0 H GLN A 991 7.904 -4.537 -4.737 1.00 0.00 H new ATOM 0 HA GLN A 991 5.764 -3.608 -6.376 1.00 0.00 H new ATOM 0 HB2 GLN A 991 7.840 -5.796 -6.732 1.00 0.00 H new ATOM 0 HB3 GLN A 991 6.732 -5.284 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 991 7.662 -2.946 -7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 991 8.846 -3.569 -6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 991 10.593 -2.975 -7.975 1.00 0.00 H new ATOM 0 HE22 GLN A 991 10.965 -3.853 -9.462 1.00 0.00 H new ATOM 1214 N SER A 992 5.428 -6.492 -4.903 1.00 0.00 N ATOM 1215 CA SER A 992 4.469 -7.535 -4.569 1.00 0.00 C ATOM 1216 C SER A 992 3.233 -6.924 -3.911 1.00 0.00 C ATOM 1217 O SER A 992 2.138 -7.476 -3.992 1.00 0.00 O ATOM 1218 CB SER A 992 5.116 -8.564 -3.632 1.00 0.00 C ATOM 1219 OG SER A 992 4.253 -9.665 -3.385 1.00 0.00 O ATOM 0 H SER A 992 6.284 -6.517 -4.349 1.00 0.00 H new ATOM 0 HA SER A 992 4.163 -8.039 -5.486 1.00 0.00 H new ATOM 0 HB2 SER A 992 6.047 -8.923 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 992 5.374 -8.085 -2.688 1.00 0.00 H new ATOM 0 HG SER A 992 3.647 -9.446 -2.647 1.00 0.00 H new ATOM 1225 N PHE A 993 3.425 -5.779 -3.270 1.00 0.00 N ATOM 1226 CA PHE A 993 2.341 -5.072 -2.603 1.00 0.00 C ATOM 1227 C PHE A 993 1.611 -4.152 -3.578 1.00 0.00 C ATOM 1228 O PHE A 993 0.401 -3.959 -3.475 1.00 0.00 O ATOM 1229 CB PHE A 993 2.901 -4.261 -1.432 1.00 0.00 C ATOM 1230 CG PHE A 993 1.870 -3.463 -0.689 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.083 -4.057 0.283 1.00 0.00 C ATOM 1232 CD2 PHE A 993 1.685 -2.121 -0.968 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.131 -3.324 0.963 1.00 0.00 C ATOM 1234 CE2 PHE A 993 0.736 -1.384 -0.291 1.00 0.00 C ATOM 1235 CZ PHE A 993 -0.029 -1.987 0.691 1.00 0.00 C ATOM 0 H PHE A 993 4.331 -5.317 -3.198 1.00 0.00 H new ATOM 0 HA PHE A 993 1.626 -5.804 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 993 3.390 -4.941 -0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.668 -3.583 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.215 -5.104 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.291 -1.645 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 993 -0.488 -3.801 1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.591 -0.340 -0.527 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.752 -1.406 1.244 1.00 0.00 H new ATOM 1245 N LEU A 994 2.360 -3.592 -4.524 1.00 0.00 N ATOM 1246 CA LEU A 994 1.802 -2.675 -5.518 1.00 0.00 C ATOM 1247 C LEU A 994 0.634 -3.304 -6.269 1.00 0.00 C ATOM 1248 O LEU A 994 -0.380 -2.647 -6.510 1.00 0.00 O ATOM 1249 CB LEU A 994 2.883 -2.263 -6.519 1.00 0.00 C ATOM 1250 CG LEU A 994 4.022 -1.420 -5.949 1.00 0.00 C ATOM 1251 CD1 LEU A 994 5.138 -1.289 -6.971 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.516 -0.048 -5.532 1.00 0.00 C ATOM 0 H LEU A 994 3.361 -3.758 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 994 1.435 -1.798 -4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.308 -3.165 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.411 -1.705 -7.327 1.00 0.00 H new ATOM 0 HG LEU A 994 4.416 -1.920 -5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 994 5.945 -0.686 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.518 -2.279 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.753 -0.808 -7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.342 0.537 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 994 3.097 0.464 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.745 -0.161 -4.770 1.00 0.00 H new ATOM 1264 N GLN A 995 0.787 -4.572 -6.631 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.230 -5.285 -7.404 1.00 0.00 C ATOM 1266 C GLN A 995 -1.588 -5.326 -6.673 1.00 0.00 C ATOM 1267 O GLN A 995 -2.566 -4.780 -7.179 1.00 0.00 O ATOM 1268 CB GLN A 995 0.263 -6.695 -7.755 1.00 0.00 C ATOM 1269 CG GLN A 995 -0.757 -7.541 -8.498 1.00 0.00 C ATOM 1270 CD GLN A 995 -0.259 -8.946 -8.765 1.00 0.00 C ATOM 1271 OE1 GLN A 995 0.941 -9.174 -8.937 1.00 0.00 O ATOM 1272 NE2 GLN A 995 -1.171 -9.903 -8.788 1.00 0.00 N ATOM 0 H GLN A 995 1.608 -5.132 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.393 -4.736 -8.331 1.00 0.00 H new ATOM 0 HB2 GLN A 995 1.163 -6.613 -8.364 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.545 -7.209 -6.836 1.00 0.00 H new ATOM 0 HG2 GLN A 995 -1.677 -7.589 -7.916 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -1.003 -7.060 -9.445 1.00 0.00 H new ATOM 0 HE21 GLN A 995 -2.154 -9.674 -8.641 1.00 0.00 H new ATOM 0 HE22 GLN A 995 -0.891 -10.870 -8.952 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.688 -5.952 -5.475 1.00 0.00 N ATOM 1282 CA PRO A 996 -2.950 -6.006 -4.731 1.00 0.00 C ATOM 1283 C PRO A 996 -3.340 -4.643 -4.169 1.00 0.00 C ATOM 1284 O PRO A 996 -4.521 -4.300 -4.115 1.00 0.00 O ATOM 1285 CB PRO A 996 -2.672 -6.994 -3.587 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.384 -7.657 -3.938 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.621 -6.659 -4.756 1.00 0.00 C ATOM 0 HA PRO A 996 -3.779 -6.310 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -2.599 -6.476 -2.630 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -3.477 -7.724 -3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -0.829 -7.934 -3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -1.557 -8.574 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 996 -0.037 -5.984 -4.131 1.00 0.00 H new ATOM 0 HD3 PRO A 996 0.076 -7.143 -5.439 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.338 -3.870 -3.763 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.582 -2.558 -3.195 1.00 0.00 C ATOM 1297 C GLY A 997 -3.284 -1.637 -4.168 1.00 0.00 C ATOM 1298 O GLY A 997 -4.259 -0.973 -3.814 1.00 0.00 O ATOM 0 H GLY A 997 -1.354 -4.132 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.186 -2.661 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.634 -2.112 -2.894 1.00 0.00 H new ATOM 1302 N GLY A 998 -2.799 -1.614 -5.405 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.398 -0.781 -6.425 1.00 0.00 C ATOM 1304 C GLY A 998 -4.820 -1.195 -6.741 1.00 0.00 C ATOM 1305 O GLY A 998 -5.649 -0.365 -7.121 1.00 0.00 O ATOM 0 H GLY A 998 -1.997 -2.161 -5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.389 0.258 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -2.797 -0.832 -7.333 1.00 0.00 H new ATOM 1309 N LYS A 999 -5.104 -2.481 -6.570 1.00 0.00 N ATOM 1310 CA LYS A 999 -6.437 -3.006 -6.819 1.00 0.00 C ATOM 1311 C LYS A 999 -7.403 -2.588 -5.718 1.00 0.00 C ATOM 1312 O LYS A 999 -8.585 -2.367 -5.975 1.00 0.00 O ATOM 1313 CB LYS A 999 -6.405 -4.532 -6.939 1.00 0.00 C ATOM 1314 CG LYS A 999 -5.616 -5.032 -8.136 1.00 0.00 C ATOM 1315 CD LYS A 999 -5.696 -6.542 -8.266 1.00 0.00 C ATOM 1316 CE LYS A 999 -4.957 -7.036 -9.498 1.00 0.00 C ATOM 1317 NZ LYS A 999 -5.092 -8.507 -9.670 1.00 0.00 N ATOM 0 H LYS A 999 -4.427 -3.178 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 999 -6.788 -2.588 -7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -5.974 -4.950 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -7.427 -4.904 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -5.999 -4.567 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -4.573 -4.729 -8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -5.273 -7.008 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -6.741 -6.849 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -5.345 -6.530 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -3.902 -6.775 -9.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -4.574 -8.806 -10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -4.699 -8.991 -8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -6.097 -8.754 -9.772 1.00 0.00 H new ATOM 1331 N MET A1000 -6.901 -2.458 -4.491 1.00 0.00 N ATOM 1332 CA MET A1000 -7.753 -2.073 -3.375 1.00 0.00 C ATOM 1333 C MET A1000 -8.098 -0.595 -3.473 1.00 0.00 C ATOM 1334 O MET A1000 -9.169 -0.170 -3.047 1.00 0.00 O ATOM 1335 CB MET A1000 -7.092 -2.377 -2.029 1.00 0.00 C ATOM 1336 CG MET A1000 -8.062 -2.294 -0.858 1.00 0.00 C ATOM 1337 SD MET A1000 -7.311 -2.739 0.721 1.00 0.00 S ATOM 1338 CE MET A1000 -6.184 -1.371 0.959 1.00 0.00 C ATOM 0 H MET A1000 -5.922 -2.612 -4.249 1.00 0.00 H new ATOM 0 HA MET A1000 -8.668 -2.662 -3.431 1.00 0.00 H new ATOM 0 HB2 MET A1000 -6.655 -3.375 -2.062 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.273 -1.676 -1.866 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.456 -1.280 -0.792 1.00 0.00 H new ATOM 0 HG3 MET A1000 -8.909 -2.953 -1.049 1.00 0.00 H new ATOM 0 HE1 MET A1000 -5.942 -1.279 2.018 1.00 0.00 H new ATOM 0 HE2 MET A1000 -5.270 -1.550 0.392 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.652 -0.450 0.612 1.00 0.00 H new ATOM 1348 N VAL A1001 -7.188 0.187 -4.051 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.457 1.594 -4.321 1.00 0.00 C ATOM 1350 C VAL A1001 -8.624 1.714 -5.295 1.00 0.00 C ATOM 1351 O VAL A1001 -9.561 2.483 -5.075 1.00 0.00 O ATOM 1352 CB VAL A1001 -6.224 2.316 -4.915 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -6.520 3.793 -5.138 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -5.013 2.146 -4.015 1.00 0.00 C ATOM 0 H VAL A1001 -6.262 -0.130 -4.340 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.702 2.070 -3.372 1.00 0.00 H new ATOM 0 HB VAL A1001 -5.999 1.861 -5.880 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -5.640 4.281 -5.556 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -7.355 3.896 -5.830 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.777 4.260 -4.187 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -4.159 2.662 -4.453 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -5.227 2.568 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.782 1.086 -3.912 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.566 0.920 -6.360 1.00 0.00 N ATOM 1365 CA ALA A1002 -9.627 0.891 -7.357 1.00 0.00 C ATOM 1366 C ALA A1002 -10.928 0.388 -6.743 1.00 0.00 C ATOM 1367 O ALA A1002 -11.993 0.961 -6.970 1.00 0.00 O ATOM 1368 CB ALA A1002 -9.218 0.015 -8.534 1.00 0.00 C ATOM 0 H ALA A1002 -7.791 0.286 -6.554 1.00 0.00 H new ATOM 0 HA ALA A1002 -9.792 1.906 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -10.019 0.001 -9.273 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -8.312 0.416 -8.989 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -9.030 -1.000 -8.184 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.828 -0.679 -5.955 1.00 0.00 N ATOM 1375 CA ALA A1003 -11.987 -1.255 -5.285 1.00 0.00 C ATOM 1376 C ALA A1003 -12.623 -0.253 -4.327 1.00 0.00 C ATOM 1377 O ALA A1003 -13.844 -0.098 -4.303 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.591 -2.521 -4.538 1.00 0.00 C ATOM 0 H ALA A1003 -9.951 -1.163 -5.765 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.724 -1.510 -6.046 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.467 -2.940 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -11.190 -3.249 -5.243 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -10.832 -2.282 -3.793 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.790 0.432 -3.547 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.267 1.441 -2.608 1.00 0.00 C ATOM 1386 C ALA A1004 -13.022 2.542 -3.341 1.00 0.00 C ATOM 1387 O ALA A1004 -14.132 2.908 -2.961 1.00 0.00 O ATOM 1388 CB ALA A1004 -11.105 2.028 -1.817 1.00 0.00 C ATOM 0 H ALA A1004 -10.778 0.305 -3.548 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.952 0.961 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.481 2.779 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.607 1.235 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.395 2.491 -2.503 1.00 0.00 H new ATOM 1394 N LYS A1005 -12.421 3.046 -4.416 1.00 0.00 N ATOM 1395 CA LYS A1005 -13.046 4.080 -5.234 1.00 0.00 C ATOM 1396 C LYS A1005 -14.350 3.585 -5.843 1.00 0.00 C ATOM 1397 O LYS A1005 -15.295 4.349 -6.015 1.00 0.00 O ATOM 1398 CB LYS A1005 -12.103 4.519 -6.351 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.910 5.326 -5.868 1.00 0.00 C ATOM 1400 CD LYS A1005 -9.967 5.648 -7.015 1.00 0.00 C ATOM 1401 CE LYS A1005 -8.854 6.587 -6.587 1.00 0.00 C ATOM 1402 NZ LYS A1005 -9.367 7.937 -6.225 1.00 0.00 N ATOM 0 H LYS A1005 -11.499 2.754 -4.741 1.00 0.00 H new ATOM 0 HA LYS A1005 -13.261 4.928 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -11.742 3.635 -6.877 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -12.663 5.113 -7.073 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -11.256 6.251 -5.407 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -10.376 4.767 -5.100 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -9.535 4.724 -7.400 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -10.530 6.101 -7.831 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -8.328 6.159 -5.734 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -8.128 6.680 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -8.575 8.610 -6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -10.054 8.251 -6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -9.831 7.894 -5.295 1.00 0.00 H new ATOM 1416 N ALA A1006 -14.394 2.300 -6.158 1.00 0.00 N ATOM 1417 CA ALA A1006 -15.566 1.702 -6.779 1.00 0.00 C ATOM 1418 C ALA A1006 -16.648 1.403 -5.745 1.00 0.00 C ATOM 1419 O ALA A1006 -17.764 1.019 -6.096 1.00 0.00 O ATOM 1420 CB ALA A1006 -15.169 0.438 -7.524 1.00 0.00 C ATOM 0 H ALA A1006 -13.627 1.648 -5.993 1.00 0.00 H new ATOM 0 HA ALA A1006 -15.980 2.416 -7.491 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -16.052 -0.004 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -14.440 0.684 -8.296 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -14.730 -0.274 -6.825 1.00 0.00 H new ATOM 1426 N SER A1007 -16.309 1.575 -4.476 1.00 0.00 N ATOM 1427 CA SER A1007 -17.256 1.362 -3.392 1.00 0.00 C ATOM 1428 C SER A1007 -17.854 2.694 -2.948 1.00 0.00 C ATOM 1429 O SER A1007 -18.973 2.750 -2.445 1.00 0.00 O ATOM 1430 CB SER A1007 -16.553 0.663 -2.225 1.00 0.00 C ATOM 1431 OG SER A1007 -15.932 -0.534 -2.666 1.00 0.00 O ATOM 0 H SER A1007 -15.379 1.863 -4.171 1.00 0.00 H new ATOM 0 HA SER A1007 -18.069 0.725 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A1007 -15.807 1.328 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A1007 -17.275 0.438 -1.440 1.00 0.00 H new ATOM 0 HG SER A1007 -15.093 -0.318 -3.124 1.00 0.00 H new ATOM 1437 N VAL A1008 -17.104 3.763 -3.175 1.00 0.00 N ATOM 1438 CA VAL A1008 -17.522 5.116 -2.809 1.00 0.00 C ATOM 1439 C VAL A1008 -18.929 5.473 -3.335 1.00 0.00 C ATOM 1440 O VAL A1008 -19.794 5.865 -2.551 1.00 0.00 O ATOM 1441 CB VAL A1008 -16.490 6.157 -3.308 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -16.968 7.578 -3.053 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -15.138 5.927 -2.643 1.00 0.00 C ATOM 0 H VAL A1008 -16.187 3.720 -3.619 1.00 0.00 H new ATOM 0 HA VAL A1008 -17.571 5.142 -1.720 1.00 0.00 H new ATOM 0 HB VAL A1008 -16.381 6.028 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -16.220 8.284 -3.415 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -17.909 7.745 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -17.118 7.725 -1.983 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -14.424 6.667 -3.005 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -15.243 6.022 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.778 4.927 -2.886 1.00 0.00 H new ATOM 1453 N PRO A1009 -19.195 5.340 -4.655 1.00 0.00 N ATOM 1454 CA PRO A1009 -20.479 5.758 -5.235 1.00 0.00 C ATOM 1455 C PRO A1009 -21.629 4.786 -4.963 1.00 0.00 C ATOM 1456 O PRO A1009 -22.783 5.094 -5.259 1.00 0.00 O ATOM 1457 CB PRO A1009 -20.179 5.811 -6.731 1.00 0.00 C ATOM 1458 CG PRO A1009 -19.126 4.783 -6.934 1.00 0.00 C ATOM 1459 CD PRO A1009 -18.287 4.797 -5.686 1.00 0.00 C ATOM 0 HA PRO A1009 -20.818 6.699 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -21.068 5.591 -7.322 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -19.832 6.800 -7.032 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -19.567 3.800 -7.097 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -18.522 5.011 -7.813 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -17.940 3.797 -5.426 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -17.401 5.420 -5.807 1.00 0.00 H new ATOM 1467 N THR A1010 -21.327 3.619 -4.410 1.00 0.00 N ATOM 1468 CA THR A1010 -22.355 2.619 -4.160 1.00 0.00 C ATOM 1469 C THR A1010 -22.811 2.630 -2.703 1.00 0.00 C ATOM 1470 O THR A1010 -23.890 2.133 -2.384 1.00 0.00 O ATOM 1471 CB THR A1010 -21.869 1.209 -4.547 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.553 0.982 -4.032 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.861 1.033 -6.056 1.00 0.00 C ATOM 0 H THR A1010 -20.386 3.343 -4.128 1.00 0.00 H new ATOM 0 HA THR A1010 -23.208 2.880 -4.787 1.00 0.00 H new ATOM 0 HB THR A1010 -22.558 0.484 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A1010 -20.324 1.691 -3.396 1.00 0.00 H new ATOM 0 HG21 THR A1010 -21.514 0.030 -6.303 1.00 0.00 H new ATOM 0 HG22 THR A1010 -22.870 1.174 -6.444 1.00 0.00 H new ATOM 0 HG23 THR A1010 -21.193 1.769 -6.505 1.00 0.00 H new ATOM 1481 N ILE A1011 -21.990 3.212 -1.831 1.00 0.00 N ATOM 1482 CA ILE A1011 -22.299 3.287 -0.405 1.00 0.00 C ATOM 1483 C ILE A1011 -23.508 4.181 -0.146 1.00 0.00 C ATOM 1484 O ILE A1011 -24.283 3.946 0.785 1.00 0.00 O ATOM 1485 CB ILE A1011 -21.079 3.795 0.402 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -19.948 2.769 0.344 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -21.451 4.084 1.850 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -18.682 3.213 1.039 1.00 0.00 C ATOM 0 H ILE A1011 -21.101 3.641 -2.089 1.00 0.00 H new ATOM 0 HA ILE A1011 -22.541 2.278 -0.071 1.00 0.00 H new ATOM 0 HB ILE A1011 -20.742 4.728 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -20.291 1.838 0.796 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -19.721 2.552 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -20.572 4.439 2.388 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -22.228 4.848 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -21.820 3.172 2.320 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -17.927 2.431 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -18.312 4.127 0.573 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -18.892 3.402 2.092 1.00 0.00 H new ATOM 1500 N GLN A1012 -23.661 5.195 -0.988 1.00 0.00 N ATOM 1501 CA GLN A1012 -24.767 6.150 -0.886 1.00 0.00 C ATOM 1502 C GLN A1012 -24.737 6.885 0.453 1.00 0.00 C ATOM 1503 O GLN A1012 -25.770 7.317 0.969 1.00 0.00 O ATOM 1504 CB GLN A1012 -26.113 5.441 -1.076 1.00 0.00 C ATOM 1505 CG GLN A1012 -26.278 4.810 -2.449 1.00 0.00 C ATOM 1506 CD GLN A1012 -26.295 5.836 -3.565 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -25.256 6.196 -4.116 1.00 0.00 O ATOM 1508 NE2 GLN A1012 -27.478 6.321 -3.901 1.00 0.00 N ATOM 0 H GLN A1012 -23.024 5.382 -1.762 1.00 0.00 H new ATOM 0 HA GLN A1012 -24.647 6.887 -1.680 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -26.218 4.668 -0.315 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -26.918 6.158 -0.915 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -25.464 4.105 -2.621 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -27.205 4.238 -2.473 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -28.317 5.997 -3.420 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -27.552 7.019 -4.641 1.00 0.00 H new ATOM 1517 N ASP A1013 -23.539 7.038 0.995 1.00 0.00 N ATOM 1518 CA ASP A1013 -23.334 7.755 2.245 1.00 0.00 C ATOM 1519 C ASP A1013 -22.094 8.622 2.127 1.00 0.00 C ATOM 1520 O ASP A1013 -20.977 8.110 2.080 1.00 0.00 O ATOM 1521 CB ASP A1013 -23.191 6.784 3.422 1.00 0.00 C ATOM 1522 CG ASP A1013 -22.895 7.494 4.730 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -23.827 8.075 5.321 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -21.730 7.468 5.179 1.00 0.00 O ATOM 0 H ASP A1013 -22.682 6.669 0.582 1.00 0.00 H new ATOM 0 HA ASP A1013 -24.204 8.383 2.436 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -24.110 6.207 3.526 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -22.391 6.075 3.208 1.00 0.00 H new ATOM 1529 N GLN A1014 -22.307 9.930 2.067 1.00 0.00 N ATOM 1530 CA GLN A1014 -21.233 10.894 1.848 1.00 0.00 C ATOM 1531 C GLN A1014 -20.082 10.703 2.833 1.00 0.00 C ATOM 1532 O GLN A1014 -18.916 10.704 2.437 1.00 0.00 O ATOM 1533 CB GLN A1014 -21.782 12.318 1.960 1.00 0.00 C ATOM 1534 CG GLN A1014 -20.731 13.399 1.757 1.00 0.00 C ATOM 1535 CD GLN A1014 -21.291 14.800 1.913 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -22.304 14.947 2.755 1.00 0.00 O flip ATOM 1537 NE2 GLN A1014 -20.808 15.743 1.289 1.00 0.00 N flip ATOM 0 H GLN A1014 -23.229 10.354 2.169 1.00 0.00 H new ATOM 0 HA GLN A1014 -20.840 10.727 0.845 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -22.574 12.451 1.223 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -22.236 12.446 2.942 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -19.923 13.253 2.474 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -20.297 13.295 0.763 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -20.028 15.586 0.650 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -21.187 16.682 1.410 1.00 0.00 H new ATOM 1546 N ALA A1015 -20.416 10.526 4.105 1.00 0.00 N ATOM 1547 CA ALA A1015 -19.408 10.383 5.150 1.00 0.00 C ATOM 1548 C ALA A1015 -18.488 9.193 4.882 1.00 0.00 C ATOM 1549 O ALA A1015 -17.266 9.347 4.822 1.00 0.00 O ATOM 1550 CB ALA A1015 -20.075 10.249 6.507 1.00 0.00 C ATOM 0 H ALA A1015 -21.379 10.478 4.439 1.00 0.00 H new ATOM 0 HA ALA A1015 -18.791 11.282 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -19.312 10.143 7.278 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -20.673 11.138 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -20.719 9.370 6.511 1.00 0.00 H new ATOM 1556 N SER A1016 -19.077 8.015 4.711 1.00 0.00 N ATOM 1557 CA SER A1016 -18.303 6.807 4.454 1.00 0.00 C ATOM 1558 C SER A1016 -17.597 6.892 3.100 1.00 0.00 C ATOM 1559 O SER A1016 -16.468 6.421 2.944 1.00 0.00 O ATOM 1560 CB SER A1016 -19.216 5.580 4.493 1.00 0.00 C ATOM 1561 OG SER A1016 -19.987 5.556 5.684 1.00 0.00 O ATOM 0 H SER A1016 -20.086 7.871 4.746 1.00 0.00 H new ATOM 0 HA SER A1016 -17.545 6.713 5.232 1.00 0.00 H new ATOM 0 HB2 SER A1016 -19.878 5.588 3.627 1.00 0.00 H new ATOM 0 HB3 SER A1016 -18.615 4.673 4.427 1.00 0.00 H new ATOM 0 HG SER A1016 -20.820 6.053 5.545 1.00 0.00 H new ATOM 1567 N ALA A1017 -18.261 7.515 2.134 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.714 7.661 0.792 1.00 0.00 C ATOM 1569 C ALA A1017 -16.447 8.511 0.805 1.00 0.00 C ATOM 1570 O ALA A1017 -15.431 8.139 0.213 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.750 8.278 -0.134 1.00 0.00 C ATOM 0 H ALA A1017 -19.185 7.929 2.257 1.00 0.00 H new ATOM 0 HA ALA A1017 -17.453 6.669 0.423 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.329 8.382 -1.134 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.629 7.635 -0.176 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -19.036 9.260 0.243 1.00 0.00 H new ATOM 1577 N MET A1018 -16.508 9.647 1.489 1.00 0.00 N ATOM 1578 CA MET A1018 -15.363 10.549 1.579 1.00 0.00 C ATOM 1579 C MET A1018 -14.231 9.911 2.373 1.00 0.00 C ATOM 1580 O MET A1018 -13.058 10.187 2.125 1.00 0.00 O ATOM 1581 CB MET A1018 -15.760 11.883 2.214 1.00 0.00 C ATOM 1582 CG MET A1018 -16.673 12.728 1.338 1.00 0.00 C ATOM 1583 SD MET A1018 -15.935 13.124 -0.262 1.00 0.00 S ATOM 1584 CE MET A1018 -17.243 14.102 -0.998 1.00 0.00 C ATOM 0 H MET A1018 -17.337 9.967 1.990 1.00 0.00 H new ATOM 0 HA MET A1018 -15.015 10.740 0.564 1.00 0.00 H new ATOM 0 HB2 MET A1018 -16.259 11.689 3.164 1.00 0.00 H new ATOM 0 HB3 MET A1018 -14.858 12.452 2.438 1.00 0.00 H new ATOM 0 HG2 MET A1018 -17.611 12.196 1.179 1.00 0.00 H new ATOM 0 HG3 MET A1018 -16.916 13.653 1.860 1.00 0.00 H new ATOM 0 HE1 MET A1018 -16.940 14.424 -1.994 1.00 0.00 H new ATOM 0 HE2 MET A1018 -18.149 13.501 -1.071 1.00 0.00 H new ATOM 0 HE3 MET A1018 -17.437 14.977 -0.377 1.00 0.00 H new ATOM 1594 N GLN A1019 -14.583 9.050 3.321 1.00 0.00 N ATOM 1595 CA GLN A1019 -13.584 8.336 4.100 1.00 0.00 C ATOM 1596 C GLN A1019 -12.764 7.429 3.190 1.00 0.00 C ATOM 1597 O GLN A1019 -11.531 7.445 3.225 1.00 0.00 O ATOM 1598 CB GLN A1019 -14.241 7.512 5.210 1.00 0.00 C ATOM 1599 CG GLN A1019 -13.237 6.856 6.144 1.00 0.00 C ATOM 1600 CD GLN A1019 -12.379 7.865 6.885 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -12.960 9.004 7.237 1.00 0.00 O flip ATOM 1602 NE2 GLN A1019 -11.206 7.611 7.163 1.00 0.00 N flip ATOM 0 H GLN A1019 -15.549 8.832 3.566 1.00 0.00 H new ATOM 0 HA GLN A1019 -12.924 9.069 4.565 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -14.900 8.157 5.791 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -14.866 6.741 4.760 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -13.770 6.238 6.867 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -12.593 6.191 5.569 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -10.794 6.723 6.875 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -10.647 8.288 7.681 1.00 0.00 H new ATOM 1611 N LEU A1020 -13.460 6.657 2.361 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.806 5.783 1.397 1.00 0.00 C ATOM 1613 C LEU A1020 -12.012 6.586 0.379 1.00 0.00 C ATOM 1614 O LEU A1020 -10.907 6.198 -0.001 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.823 4.894 0.685 1.00 0.00 C ATOM 1616 CG LEU A1020 -14.153 3.592 1.409 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -15.178 2.789 0.625 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -12.885 2.782 1.615 1.00 0.00 C ATOM 0 H LEU A1020 -14.479 6.620 2.339 1.00 0.00 H new ATOM 0 HA LEU A1020 -12.115 5.146 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -14.744 5.460 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -13.443 4.655 -0.308 1.00 0.00 H new ATOM 0 HG LEU A1020 -14.582 3.829 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -15.400 1.864 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -16.092 3.373 0.516 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -14.778 2.553 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -13.126 1.853 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -12.438 2.553 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -12.179 3.358 2.213 1.00 0.00 H new ATOM 1630 N SER A1021 -12.575 7.704 -0.051 1.00 0.00 N ATOM 1631 CA SER A1021 -11.892 8.586 -0.981 1.00 0.00 C ATOM 1632 C SER A1021 -10.571 9.070 -0.386 1.00 0.00 C ATOM 1633 O SER A1021 -9.549 9.115 -1.074 1.00 0.00 O ATOM 1634 CB SER A1021 -12.784 9.779 -1.333 1.00 0.00 C ATOM 1635 OG SER A1021 -12.145 10.638 -2.259 1.00 0.00 O ATOM 0 H SER A1021 -13.503 8.021 0.230 1.00 0.00 H new ATOM 0 HA SER A1021 -11.677 8.029 -1.893 1.00 0.00 H new ATOM 0 HB2 SER A1021 -13.725 9.422 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A1021 -13.029 10.334 -0.427 1.00 0.00 H new ATOM 0 HG SER A1021 -12.736 11.391 -2.468 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.598 9.406 0.898 1.00 0.00 N ATOM 1642 CA GLN A1022 -9.417 9.901 1.587 1.00 0.00 C ATOM 1643 C GLN A1022 -8.340 8.822 1.691 1.00 0.00 C ATOM 1644 O GLN A1022 -7.178 9.066 1.365 1.00 0.00 O ATOM 1645 CB GLN A1022 -9.785 10.401 2.985 1.00 0.00 C ATOM 1646 CG GLN A1022 -8.612 11.003 3.742 1.00 0.00 C ATOM 1647 CD GLN A1022 -8.978 11.434 5.147 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -9.923 10.735 5.758 1.00 0.00 O flip ATOM 1649 NE2 GLN A1022 -8.413 12.387 5.684 1.00 0.00 N flip ATOM 0 H GLN A1022 -11.431 9.343 1.484 1.00 0.00 H new ATOM 0 HA GLN A1022 -9.017 10.729 1.002 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.574 11.148 2.899 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -10.193 9.572 3.563 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -7.804 10.273 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -8.233 11.863 3.190 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -7.690 12.901 5.181 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -8.668 12.663 6.632 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.725 7.629 2.138 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.760 6.551 2.319 1.00 0.00 C ATOM 1660 C CYS A1023 -7.183 6.106 0.977 1.00 0.00 C ATOM 1661 O CYS A1023 -5.985 5.845 0.867 1.00 0.00 O ATOM 1662 CB CYS A1023 -8.385 5.368 3.071 1.00 0.00 C ATOM 1663 SG CYS A1023 -9.844 4.647 2.288 1.00 0.00 S ATOM 0 H CYS A1023 -9.686 7.387 2.379 1.00 0.00 H new ATOM 0 HA CYS A1023 -6.940 6.934 2.927 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -7.630 4.590 3.184 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -8.656 5.697 4.074 1.00 0.00 H new ATOM 0 HG CYS A1023 -10.063 5.238 1.151 1.00 0.00 H new ATOM 1669 N ALA A1024 -8.029 6.060 -0.051 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.582 5.696 -1.389 1.00 0.00 C ATOM 1671 C ALA A1024 -6.641 6.757 -1.948 1.00 0.00 C ATOM 1672 O ALA A1024 -5.732 6.453 -2.720 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.773 5.500 -2.315 1.00 0.00 C ATOM 0 H ALA A1024 -9.025 6.270 0.019 1.00 0.00 H new ATOM 0 HA ALA A1024 -7.037 4.754 -1.323 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.420 5.229 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.409 4.705 -1.926 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.345 6.426 -2.373 1.00 0.00 H new ATOM 1679 N LYS A1025 -6.864 8.005 -1.547 1.00 0.00 N ATOM 1680 CA LYS A1025 -6.009 9.109 -1.964 1.00 0.00 C ATOM 1681 C LYS A1025 -4.611 8.932 -1.381 1.00 0.00 C ATOM 1682 O LYS A1025 -3.613 9.005 -2.101 1.00 0.00 O ATOM 1683 CB LYS A1025 -6.595 10.443 -1.494 1.00 0.00 C ATOM 1684 CG LYS A1025 -5.938 11.660 -2.127 1.00 0.00 C ATOM 1685 CD LYS A1025 -6.383 11.851 -3.570 1.00 0.00 C ATOM 1686 CE LYS A1025 -7.878 12.122 -3.657 1.00 0.00 C ATOM 1687 NZ LYS A1025 -8.315 12.425 -5.042 1.00 0.00 N ATOM 0 H LYS A1025 -7.632 8.276 -0.932 1.00 0.00 H new ATOM 0 HA LYS A1025 -5.950 9.112 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -7.662 10.460 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -6.496 10.511 -0.411 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -6.186 12.550 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -4.854 11.549 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -5.834 12.681 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -6.138 10.960 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -8.425 11.254 -3.287 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -8.132 12.959 -3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -9.340 12.603 -5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -7.814 13.269 -5.387 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -8.098 11.617 -5.659 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.558 8.686 -0.075 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.290 8.500 0.629 1.00 0.00 C ATOM 1703 C ASN A1026 -2.547 7.287 0.087 1.00 0.00 C ATOM 1704 O ASN A1026 -1.363 7.370 -0.247 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.518 8.318 2.133 1.00 0.00 C ATOM 1706 CG ASN A1026 -4.136 9.527 2.806 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -3.970 10.662 2.362 1.00 0.00 O ATOM 1708 ND2 ASN A1026 -4.839 9.291 3.906 1.00 0.00 N ATOM 0 H ASN A1026 -5.382 8.610 0.521 1.00 0.00 H new ATOM 0 HA ASN A1026 -2.690 9.395 0.465 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -4.164 7.455 2.292 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -2.565 8.094 2.612 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -5.265 10.066 4.415 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -4.954 8.335 4.242 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.255 6.164 0.000 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.674 4.914 -0.472 1.00 0.00 C ATOM 1717 C LEU A1027 -2.187 5.052 -1.912 1.00 0.00 C ATOM 1718 O LEU A1027 -1.136 4.523 -2.270 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.701 3.780 -0.359 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.199 2.387 -0.752 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -2.004 1.986 0.101 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.318 1.366 -0.615 1.00 0.00 C ATOM 0 H LEU A1027 -4.241 6.096 0.253 1.00 0.00 H new ATOM 0 HA LEU A1027 -1.815 4.674 0.154 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -4.059 3.740 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.558 4.027 -0.985 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.879 2.416 -1.794 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.663 0.994 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.197 2.705 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.295 1.972 1.151 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -3.948 0.380 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.664 1.341 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.146 1.643 -1.268 1.00 0.00 H new ATOM 1734 N GLY A1028 -2.951 5.778 -2.722 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.574 5.999 -4.105 1.00 0.00 C ATOM 1736 C GLY A1028 -1.224 6.677 -4.238 1.00 0.00 C ATOM 1737 O GLY A1028 -0.374 6.236 -5.012 1.00 0.00 O ATOM 0 H GLY A1028 -3.828 6.219 -2.443 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.550 5.043 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.334 6.611 -4.592 1.00 0.00 H new ATOM 1741 N THR A1029 -1.015 7.739 -3.472 1.00 0.00 N ATOM 1742 CA THR A1029 0.246 8.468 -3.510 1.00 0.00 C ATOM 1743 C THR A1029 1.352 7.674 -2.815 1.00 0.00 C ATOM 1744 O THR A1029 2.517 7.725 -3.217 1.00 0.00 O ATOM 1745 CB THR A1029 0.103 9.844 -2.841 1.00 0.00 C ATOM 1746 OG1 THR A1029 -1.103 10.476 -3.294 1.00 0.00 O ATOM 1747 CG2 THR A1029 1.292 10.738 -3.161 1.00 0.00 C ATOM 0 H THR A1029 -1.701 8.115 -2.817 1.00 0.00 H new ATOM 0 HA THR A1029 0.515 8.610 -4.557 1.00 0.00 H new ATOM 0 HB THR A1029 0.065 9.695 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A1029 -1.875 10.060 -2.856 1.00 0.00 H new ATOM 0 HG21 THR A1029 1.162 11.704 -2.674 1.00 0.00 H new ATOM 0 HG22 THR A1029 2.207 10.269 -2.799 1.00 0.00 H new ATOM 0 HG23 THR A1029 1.360 10.881 -4.239 1.00 0.00 H new ATOM 1755 N ALA A1030 0.975 6.928 -1.781 1.00 0.00 N ATOM 1756 CA ALA A1030 1.915 6.076 -1.068 1.00 0.00 C ATOM 1757 C ALA A1030 2.502 5.035 -2.013 1.00 0.00 C ATOM 1758 O ALA A1030 3.712 4.805 -2.027 1.00 0.00 O ATOM 1759 CB ALA A1030 1.232 5.404 0.115 1.00 0.00 C ATOM 0 H ALA A1030 0.022 6.898 -1.419 1.00 0.00 H new ATOM 0 HA ALA A1030 2.728 6.694 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A1030 1.949 4.770 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A1030 0.855 6.165 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.402 4.794 -0.242 1.00 0.00 H new ATOM 1765 N LEU A1031 1.637 4.427 -2.817 1.00 0.00 N ATOM 1766 CA LEU A1031 2.064 3.462 -3.822 1.00 0.00 C ATOM 1767 C LEU A1031 2.850 4.152 -4.927 1.00 0.00 C ATOM 1768 O LEU A1031 3.784 3.580 -5.486 1.00 0.00 O ATOM 1769 CB LEU A1031 0.852 2.753 -4.430 1.00 0.00 C ATOM 1770 CG LEU A1031 0.042 1.895 -3.462 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -1.196 1.349 -4.149 1.00 0.00 C ATOM 1772 CD2 LEU A1031 0.894 0.761 -2.920 1.00 0.00 C ATOM 0 H LEU A1031 0.630 4.587 -2.791 1.00 0.00 H new ATOM 0 HA LEU A1031 2.704 2.727 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.192 3.505 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.195 2.121 -5.249 1.00 0.00 H new ATOM 0 HG LEU A1031 -0.274 2.519 -2.626 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.763 0.739 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.816 2.177 -4.494 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -0.899 0.738 -5.002 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.302 0.158 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.237 0.137 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.755 1.172 -2.394 1.00 0.00 H new ATOM 1784 N ALA A1032 2.464 5.388 -5.225 1.00 0.00 N ATOM 1785 CA ALA A1032 3.083 6.160 -6.294 1.00 0.00 C ATOM 1786 C ALA A1032 4.590 6.289 -6.101 1.00 0.00 C ATOM 1787 O ALA A1032 5.367 5.880 -6.966 1.00 0.00 O ATOM 1788 CB ALA A1032 2.438 7.537 -6.387 1.00 0.00 C ATOM 0 H ALA A1032 1.717 5.880 -4.735 1.00 0.00 H new ATOM 0 HA ALA A1032 2.919 5.624 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A1032 2.908 8.106 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.374 7.427 -6.596 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.570 8.065 -5.443 1.00 0.00 H new ATOM 1794 N GLU A1033 5.013 6.836 -4.967 1.00 0.00 N ATOM 1795 CA GLU A1033 6.436 7.032 -4.736 1.00 0.00 C ATOM 1796 C GLU A1033 7.105 5.729 -4.315 1.00 0.00 C ATOM 1797 O GLU A1033 8.317 5.585 -4.444 1.00 0.00 O ATOM 1798 CB GLU A1033 6.705 8.138 -3.711 1.00 0.00 C ATOM 1799 CG GLU A1033 6.247 7.827 -2.298 1.00 0.00 C ATOM 1800 CD GLU A1033 6.718 8.876 -1.318 1.00 0.00 C ATOM 1801 OE1 GLU A1033 6.001 9.880 -1.126 1.00 0.00 O ATOM 1802 OE2 GLU A1033 7.821 8.722 -0.753 1.00 0.00 O ATOM 0 H GLU A1033 4.405 7.145 -4.209 1.00 0.00 H new ATOM 0 HA GLU A1033 6.873 7.354 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A1033 7.775 8.344 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A1033 6.211 9.050 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A1033 5.159 7.767 -2.272 1.00 0.00 H new ATOM 0 HG3 GLU A1033 6.628 6.851 -1.998 1.00 0.00 H new ATOM 1809 N LEU A1034 6.317 4.776 -3.830 1.00 0.00 N ATOM 1810 CA LEU A1034 6.837 3.449 -3.512 1.00 0.00 C ATOM 1811 C LEU A1034 7.279 2.753 -4.794 1.00 0.00 C ATOM 1812 O LEU A1034 8.384 2.219 -4.883 1.00 0.00 O ATOM 1813 CB LEU A1034 5.776 2.606 -2.797 1.00 0.00 C ATOM 1814 CG LEU A1034 6.204 1.181 -2.441 1.00 0.00 C ATOM 1815 CD1 LEU A1034 7.372 1.198 -1.467 1.00 0.00 C ATOM 1816 CD2 LEU A1034 5.034 0.401 -1.860 1.00 0.00 C ATOM 0 H LEU A1034 5.320 4.895 -3.649 1.00 0.00 H new ATOM 0 HA LEU A1034 7.692 3.560 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.484 3.120 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A1034 4.890 2.554 -3.430 1.00 0.00 H new ATOM 0 HG LEU A1034 6.529 0.683 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A1034 7.661 0.175 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A1034 8.217 1.716 -1.921 1.00 0.00 H new ATOM 0 HD13 LEU A1034 7.077 1.715 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A1034 5.358 -0.610 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A1034 4.677 0.898 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A1034 4.228 0.355 -2.592 1.00 0.00 H new ATOM 1828 N ARG A1035 6.404 2.793 -5.792 1.00 0.00 N ATOM 1829 CA ARG A1035 6.681 2.208 -7.095 1.00 0.00 C ATOM 1830 C ARG A1035 7.826 2.948 -7.782 1.00 0.00 C ATOM 1831 O ARG A1035 8.509 2.396 -8.645 1.00 0.00 O ATOM 1832 CB ARG A1035 5.412 2.249 -7.954 1.00 0.00 C ATOM 1833 CG ARG A1035 5.574 1.650 -9.343 1.00 0.00 C ATOM 1834 CD ARG A1035 4.260 1.670 -10.106 1.00 0.00 C ATOM 1835 NE ARG A1035 3.723 3.023 -10.229 1.00 0.00 N ATOM 1836 CZ ARG A1035 2.470 3.308 -10.577 1.00 0.00 C ATOM 1837 NH1 ARG A1035 1.617 2.337 -10.884 1.00 0.00 N ATOM 1838 NH2 ARG A1035 2.086 4.575 -10.634 1.00 0.00 N ATOM 0 H ARG A1035 5.486 3.231 -5.720 1.00 0.00 H new ATOM 0 HA ARG A1035 6.986 1.170 -6.965 1.00 0.00 H new ATOM 0 HB2 ARG A1035 4.617 1.716 -7.432 1.00 0.00 H new ATOM 0 HB3 ARG A1035 5.089 3.285 -8.054 1.00 0.00 H new ATOM 0 HG2 ARG A1035 6.328 2.209 -9.897 1.00 0.00 H new ATOM 0 HG3 ARG A1035 5.934 0.625 -9.260 1.00 0.00 H new ATOM 0 HD2 ARG A1035 4.410 1.247 -11.099 1.00 0.00 H new ATOM 0 HD3 ARG A1035 3.534 1.036 -9.596 1.00 0.00 H new ATOM 0 HE ARG A1035 4.351 3.803 -10.035 1.00 0.00 H new ATOM 0 HH11 ARG A1035 1.920 1.364 -10.854 1.00 0.00 H new ATOM 0 HH12 ARG A1035 0.659 2.565 -11.149 1.00 0.00 H new ATOM 0 HH21 ARG A1035 2.748 5.319 -10.413 1.00 0.00 H new ATOM 0 HH22 ARG A1035 1.129 4.806 -10.899 1.00 0.00 H new ATOM 1852 N THR A1036 8.036 4.194 -7.385 1.00 0.00 N ATOM 1853 CA THR A1036 9.114 5.001 -7.933 1.00 0.00 C ATOM 1854 C THR A1036 10.437 4.714 -7.215 1.00 0.00 C ATOM 1855 O THR A1036 11.450 4.441 -7.855 1.00 0.00 O ATOM 1856 CB THR A1036 8.780 6.504 -7.830 1.00 0.00 C ATOM 1857 OG1 THR A1036 7.509 6.759 -8.447 1.00 0.00 O ATOM 1858 CG2 THR A1036 9.851 7.351 -8.500 1.00 0.00 C ATOM 0 H THR A1036 7.471 4.670 -6.682 1.00 0.00 H new ATOM 0 HA THR A1036 9.223 4.734 -8.984 1.00 0.00 H new ATOM 0 HB THR A1036 8.740 6.774 -6.775 1.00 0.00 H new ATOM 0 HG1 THR A1036 6.791 6.435 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.589 8.405 -8.412 1.00 0.00 H new ATOM 0 HG22 THR A1036 10.811 7.174 -8.015 1.00 0.00 H new ATOM 0 HG23 THR A1036 9.921 7.082 -9.554 1.00 0.00 H new ATOM 1866 N ALA A1037 10.415 4.755 -5.886 1.00 0.00 N ATOM 1867 CA ALA A1037 11.618 4.549 -5.085 1.00 0.00 C ATOM 1868 C ALA A1037 12.187 3.149 -5.284 1.00 0.00 C ATOM 1869 O ALA A1037 13.390 2.987 -5.503 1.00 0.00 O ATOM 1870 CB ALA A1037 11.322 4.794 -3.613 1.00 0.00 C ATOM 0 H ALA A1037 9.572 4.930 -5.338 1.00 0.00 H new ATOM 0 HA ALA A1037 12.368 5.265 -5.420 1.00 0.00 H new ATOM 0 HB1 ALA A1037 12.228 4.637 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA A1037 10.976 5.819 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A1037 10.549 4.103 -3.277 1.00 0.00 H new ATOM 1876 N ALA A1038 11.317 2.146 -5.221 1.00 0.00 N ATOM 1877 CA ALA A1038 11.731 0.760 -5.412 1.00 0.00 C ATOM 1878 C ALA A1038 12.280 0.554 -6.817 1.00 0.00 C ATOM 1879 O ALA A1038 13.214 -0.219 -7.024 1.00 0.00 O ATOM 1880 CB ALA A1038 10.566 -0.184 -5.152 1.00 0.00 C ATOM 0 H ALA A1038 10.321 2.267 -5.039 1.00 0.00 H new ATOM 0 HA ALA A1038 12.523 0.536 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA A1038 10.892 -1.214 -5.299 1.00 0.00 H new ATOM 0 HB2 ALA A1038 10.216 -0.057 -4.127 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.754 0.041 -5.843 1.00 0.00 H new ATOM 1886 N GLN A1039 11.700 1.266 -7.773 1.00 0.00 N ATOM 1887 CA GLN A1039 12.136 1.197 -9.160 1.00 0.00 C ATOM 1888 C GLN A1039 13.545 1.761 -9.299 1.00 0.00 C ATOM 1889 O GLN A1039 14.428 1.117 -9.861 1.00 0.00 O ATOM 1890 CB GLN A1039 11.166 1.978 -10.044 1.00 0.00 C ATOM 1891 CG GLN A1039 11.421 1.843 -11.534 1.00 0.00 C ATOM 1892 CD GLN A1039 10.449 2.668 -12.357 1.00 0.00 C ATOM 1893 OE1 GLN A1039 9.251 2.875 -11.828 1.00 0.00 O flip ATOM 1894 NE2 GLN A1039 10.772 3.121 -13.454 1.00 0.00 N flip ATOM 0 H GLN A1039 10.920 1.903 -7.611 1.00 0.00 H new ATOM 0 HA GLN A1039 12.147 0.154 -9.478 1.00 0.00 H new ATOM 0 HB2 GLN A1039 10.151 1.644 -9.831 1.00 0.00 H new ATOM 0 HB3 GLN A1039 11.218 3.033 -9.774 1.00 0.00 H new ATOM 0 HG2 GLN A1039 12.441 2.157 -11.757 1.00 0.00 H new ATOM 0 HG3 GLN A1039 11.340 0.795 -11.822 1.00 0.00 H new ATOM 0 HE21 GLN A1039 11.704 2.939 -13.827 1.00 0.00 H new ATOM 0 HE22 GLN A1039 10.108 3.679 -13.991 1.00 0.00 H new ATOM 1903 N LYS A1040 13.750 2.957 -8.754 1.00 0.00 N ATOM 1904 CA LYS A1040 15.041 3.631 -8.826 1.00 0.00 C ATOM 1905 C LYS A1040 16.133 2.819 -8.135 1.00 0.00 C ATOM 1906 O LYS A1040 17.284 2.813 -8.571 1.00 0.00 O ATOM 1907 CB LYS A1040 14.953 5.024 -8.197 1.00 0.00 C ATOM 1908 CG LYS A1040 14.012 5.962 -8.933 1.00 0.00 C ATOM 1909 CD LYS A1040 14.065 7.372 -8.368 1.00 0.00 C ATOM 1910 CE LYS A1040 13.486 7.446 -6.965 1.00 0.00 C ATOM 1911 NZ LYS A1040 13.594 8.817 -6.396 1.00 0.00 N ATOM 0 H LYS A1040 13.032 3.482 -8.254 1.00 0.00 H new ATOM 0 HA LYS A1040 15.303 3.728 -9.879 1.00 0.00 H new ATOM 0 HB2 LYS A1040 14.622 4.927 -7.163 1.00 0.00 H new ATOM 0 HB3 LYS A1040 15.949 5.467 -8.172 1.00 0.00 H new ATOM 0 HG2 LYS A1040 14.275 5.984 -9.991 1.00 0.00 H new ATOM 0 HG3 LYS A1040 12.993 5.581 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A1040 15.099 7.717 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A1040 13.514 8.046 -9.024 1.00 0.00 H new ATOM 0 HE2 LYS A1040 12.439 7.143 -6.987 1.00 0.00 H new ATOM 0 HE3 LYS A1040 14.009 6.741 -6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 13.189 8.828 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 14.595 9.097 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 13.074 9.485 -7.000 1.00 0.00 H new ATOM 1925 N ALA A1041 15.764 2.142 -7.055 1.00 0.00 N ATOM 1926 CA ALA A1041 16.699 1.293 -6.328 1.00 0.00 C ATOM 1927 C ALA A1041 17.004 0.027 -7.114 1.00 0.00 C ATOM 1928 O ALA A1041 18.117 -0.499 -7.065 1.00 0.00 O ATOM 1929 CB ALA A1041 16.129 0.935 -4.964 1.00 0.00 C ATOM 0 H ALA A1041 14.823 2.164 -6.663 1.00 0.00 H new ATOM 0 HA ALA A1041 17.629 1.846 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A1041 16.836 0.300 -4.429 1.00 0.00 H new ATOM 0 HB2 ALA A1041 15.955 1.846 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A1041 15.187 0.401 -5.092 1.00 0.00 H new ATOM 1935 N GLN A1042 16.009 -0.449 -7.843 1.00 0.00 N ATOM 1936 CA GLN A1042 16.138 -1.674 -8.612 1.00 0.00 C ATOM 1937 C GLN A1042 16.980 -1.456 -9.870 1.00 0.00 C ATOM 1938 O GLN A1042 17.803 -2.302 -10.228 1.00 0.00 O ATOM 1939 CB GLN A1042 14.749 -2.212 -8.971 1.00 0.00 C ATOM 1940 CG GLN A1042 14.775 -3.389 -9.925 1.00 0.00 C ATOM 1941 CD GLN A1042 13.419 -4.045 -10.094 1.00 0.00 C ATOM 1942 OE1 GLN A1042 12.618 -3.639 -10.936 1.00 0.00 O ATOM 1943 NE2 GLN A1042 13.153 -5.069 -9.299 1.00 0.00 N ATOM 0 H GLN A1042 15.096 -0.001 -7.918 1.00 0.00 H new ATOM 0 HA GLN A1042 16.655 -2.412 -7.999 1.00 0.00 H new ATOM 0 HB2 GLN A1042 14.238 -2.510 -8.056 1.00 0.00 H new ATOM 0 HB3 GLN A1042 14.163 -1.408 -9.417 1.00 0.00 H new ATOM 0 HG2 GLN A1042 15.134 -3.053 -10.898 1.00 0.00 H new ATOM 0 HG3 GLN A1042 15.488 -4.129 -9.561 1.00 0.00 H new ATOM 0 HE21 GLN A1042 13.844 -5.375 -8.614 1.00 0.00 H new ATOM 0 HE22 GLN A1042 12.257 -5.552 -9.372 1.00 0.00 H new