USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=30 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: A1019 GLN : amide:sc= -0.85 X(o=0.31,f=0.6) USER MOD Set 1.2: A1023 CYS SG : rot 80:sc= 1.16 USER MOD Set 2.1: A 973 SER OG : rot 121:sc= 1.06 USER MOD Set 2.2: A 983 GLN : amide:sc= -0.0711 K(o=0.99,f=-1.2!) USER MOD Set 3.1: A 936 GLN :FLIP amide:sc= -0.0126 F(o=-4.8!,f=-3.6) USER MOD Set 3.2: A 956 CYS SG : rot 180:sc= -3.55! USER MOD Set 4.1: A 954 GLN : amide:sc= -1.53! C(o=0.43!,f=-14!) USER MOD Set 4.2: A 957 LYS NZ :NH3+ 162:sc= 1.95 (180deg=0.558) USER MOD Set 5.1: A 915 GLN : amide:sc= -0.385 K(o=-6.1,f=-7.1) USER MOD Set 5.2: A 919 HIS : no HE2:sc= -5.67! C(o=-6.1!,f=-7.4!) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 GLN : amide:sc= 0.891 K(o=0.89,f=0) USER MOD Single : A 927 SER OG : rot 90:sc= 0 USER MOD Single : A 929 THR OG1 : rot 74:sc= 0.504 USER MOD Single : A 930 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 931 THR OG1 : rot 64:sc= 0.231 USER MOD Single : A 937 HIS : no HD1:sc= 0 X(o=0,f=-0.0001) USER MOD Single : A 955 SER OG : rot -90:sc= 1.25 USER MOD Single : A 962 GLN :FLIP amide:sc= -0.0553 F(o=-1.2,f=-0.055) USER MOD Single : A 968 GLN :FLIP amide:sc= -1.13 F(o=-5.8!,f=-1.1) USER MOD Single : A 974 GLN : amide:sc= -0.16 K(o=-0.16,f=-2.1!) USER MOD Single : A 976 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 979 SER OG : rot 180:sc= 0.119 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 990 SER OG : rot 76:sc= 1.11 USER MOD Single : A 991 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.54) USER MOD Single : A 992 SER OG : rot 78:sc= 1.29 USER MOD Single : A 995 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.88) USER MOD Single : A 999 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1000 MET CE :methyl 157:sc= -2.13 (180deg=-3.39!) USER MOD Single : A1005 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot 92:sc= 0.152 USER MOD Single : A1010 THR OG1 : rot 11:sc= 1.13 USER MOD Single : A1012 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A1014 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1016 SER OG : rot 69:sc= 1.18 USER MOD Single : A1018 MET CE :methyl -133:sc= -0.0724 (180deg=-1.38) USER MOD Single : A1021 SER OG : rot 180:sc= 0 USER MOD Single : A1022 GLN :FLIP amide:sc= -0.0981 F(o=-1.7!,f=-0.098) USER MOD Single : A1025 LYS NZ :NH3+ -141:sc= -1.43 (180deg=-3.92!) USER MOD Single : A1026 ASN : amide:sc= -0.0932 K(o=-0.093,f=-1.4!) USER MOD Single : A1029 THR OG1 : rot 74:sc= 0.83 USER MOD Single : A1036 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A1039 GLN :FLIP amide:sc= -0.134 F(o=-1.4!,f=-0.13) USER MOD Single : A1040 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1042 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N LEU A 913 18.084 5.170 -2.799 1.00 0.00 N ATOM 90 CA LEU A 913 16.778 4.825 -3.332 1.00 0.00 C ATOM 91 C LEU A 913 16.029 3.946 -2.339 1.00 0.00 C ATOM 92 O LEU A 913 14.816 4.077 -2.165 1.00 0.00 O ATOM 93 CB LEU A 913 16.939 4.098 -4.666 1.00 0.00 C ATOM 94 CG LEU A 913 17.651 4.904 -5.753 1.00 0.00 C ATOM 95 CD1 LEU A 913 18.120 3.992 -6.867 1.00 0.00 C ATOM 96 CD2 LEU A 913 16.732 5.974 -6.311 1.00 0.00 C ATOM 0 HA LEU A 913 16.204 5.737 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 913 17.493 3.175 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 913 15.952 3.815 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 913 18.519 5.387 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 913 18.625 4.582 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 913 18.812 3.252 -6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 913 17.262 3.485 -7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 913 17.256 6.537 -7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 913 15.847 5.505 -6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 913 16.432 6.649 -5.510 1.00 0.00 H new ATOM 108 N VAL A 914 16.766 3.061 -1.674 1.00 0.00 N ATOM 109 CA VAL A 914 16.179 2.172 -0.680 1.00 0.00 C ATOM 110 C VAL A 914 15.757 2.952 0.561 1.00 0.00 C ATOM 111 O VAL A 914 14.853 2.541 1.282 1.00 0.00 O ATOM 112 CB VAL A 914 17.137 1.031 -0.286 1.00 0.00 C ATOM 113 CG1 VAL A 914 17.523 0.217 -1.511 1.00 0.00 C ATOM 114 CG2 VAL A 914 18.377 1.563 0.418 1.00 0.00 C ATOM 0 H VAL A 914 17.770 2.941 -1.806 1.00 0.00 H new ATOM 0 HA VAL A 914 15.297 1.723 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 914 16.613 0.381 0.415 1.00 0.00 H new ATOM 0 HG11 VAL A 914 18.200 -0.585 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 914 16.627 -0.211 -1.961 1.00 0.00 H new ATOM 0 HG13 VAL A 914 18.019 0.863 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 914 19.031 0.732 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 914 18.908 2.245 -0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 914 18.082 2.094 1.323 1.00 0.00 H new ATOM 124 N GLN A 915 16.413 4.088 0.791 1.00 0.00 N ATOM 125 CA GLN A 915 16.021 5.003 1.856 1.00 0.00 C ATOM 126 C GLN A 915 14.569 5.418 1.637 1.00 0.00 C ATOM 127 O GLN A 915 13.753 5.417 2.558 1.00 0.00 O ATOM 128 CB GLN A 915 16.947 6.228 1.844 1.00 0.00 C ATOM 129 CG GLN A 915 16.957 7.058 3.123 1.00 0.00 C ATOM 130 CD GLN A 915 15.731 7.939 3.289 1.00 0.00 C ATOM 131 OE1 GLN A 915 14.751 7.552 3.922 1.00 0.00 O ATOM 132 NE2 GLN A 915 15.775 9.126 2.707 1.00 0.00 N ATOM 0 H GLN A 915 17.221 4.396 0.250 1.00 0.00 H new ATOM 0 HA GLN A 915 16.109 4.516 2.827 1.00 0.00 H new ATOM 0 HB2 GLN A 915 17.964 5.891 1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 915 16.656 6.873 1.015 1.00 0.00 H new ATOM 0 HG2 GLN A 915 17.031 6.388 3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 915 17.848 7.686 3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 915 16.607 9.410 2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 915 14.977 9.757 2.775 1.00 0.00 H new ATOM 141 N ARG A 916 14.248 5.736 0.390 1.00 0.00 N ATOM 142 CA ARG A 916 12.892 6.103 0.033 1.00 0.00 C ATOM 143 C ARG A 916 11.969 4.905 0.161 1.00 0.00 C ATOM 144 O ARG A 916 10.844 5.044 0.627 1.00 0.00 O ATOM 145 CB ARG A 916 12.823 6.654 -1.389 1.00 0.00 C ATOM 146 CG ARG A 916 13.650 7.907 -1.605 1.00 0.00 C ATOM 147 CD ARG A 916 13.361 8.530 -2.959 1.00 0.00 C ATOM 148 NE ARG A 916 11.945 8.864 -3.117 1.00 0.00 N ATOM 149 CZ ARG A 916 11.502 9.983 -3.685 1.00 0.00 C ATOM 150 NH1 ARG A 916 12.361 10.894 -4.126 1.00 0.00 N ATOM 151 NH2 ARG A 916 10.197 10.192 -3.802 1.00 0.00 N ATOM 0 H ARG A 916 14.909 5.746 -0.387 1.00 0.00 H new ATOM 0 HA ARG A 916 12.569 6.884 0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 916 13.160 5.884 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 916 11.783 6.870 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 916 13.435 8.628 -0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 916 14.710 7.663 -1.533 1.00 0.00 H new ATOM 0 HD2 ARG A 916 13.962 9.431 -3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 916 13.661 7.840 -3.747 1.00 0.00 H new ATOM 0 HE ARG A 916 11.255 8.198 -2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 916 13.364 10.738 -4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 916 12.018 11.750 -4.561 1.00 0.00 H new ATOM 0 HH21 ARG A 916 9.536 9.496 -3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 916 9.855 11.049 -4.237 1.00 0.00 H new ATOM 165 N LEU A 917 12.453 3.737 -0.245 1.00 0.00 N ATOM 166 CA LEU A 917 11.692 2.501 -0.099 1.00 0.00 C ATOM 167 C LEU A 917 11.261 2.315 1.347 1.00 0.00 C ATOM 168 O LEU A 917 10.114 1.968 1.616 1.00 0.00 O ATOM 169 CB LEU A 917 12.514 1.298 -0.556 1.00 0.00 C ATOM 170 CG LEU A 917 12.751 1.212 -2.061 1.00 0.00 C ATOM 171 CD1 LEU A 917 13.626 0.016 -2.393 1.00 0.00 C ATOM 172 CD2 LEU A 917 11.424 1.120 -2.793 1.00 0.00 C ATOM 0 H LEU A 917 13.369 3.619 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 917 10.805 2.573 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.480 1.325 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 917 12.010 0.388 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 917 13.268 2.115 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 917 13.785 -0.031 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 917 14.587 0.117 -1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 917 13.135 -0.898 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 917 11.604 1.059 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 917 10.888 0.230 -2.464 1.00 0.00 H new ATOM 0 HD23 LEU A 917 10.826 2.005 -2.575 1.00 0.00 H new ATOM 184 N GLU A 918 12.182 2.573 2.270 1.00 0.00 N ATOM 185 CA GLU A 918 11.879 2.515 3.692 1.00 0.00 C ATOM 186 C GLU A 918 10.697 3.419 4.032 1.00 0.00 C ATOM 187 O GLU A 918 9.674 2.955 4.535 1.00 0.00 O ATOM 188 CB GLU A 918 13.092 2.943 4.520 1.00 0.00 C ATOM 189 CG GLU A 918 14.299 2.030 4.388 1.00 0.00 C ATOM 190 CD GLU A 918 15.469 2.520 5.213 1.00 0.00 C ATOM 191 OE1 GLU A 918 15.386 2.492 6.459 1.00 0.00 O ATOM 192 OE2 GLU A 918 16.491 2.922 4.621 1.00 0.00 O ATOM 0 H GLU A 918 13.147 2.825 2.056 1.00 0.00 H new ATOM 0 HA GLU A 918 11.622 1.483 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 918 13.381 3.951 4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 918 12.801 2.990 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 918 14.029 1.022 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.594 1.967 3.341 1.00 0.00 H new ATOM 199 N HIS A 919 10.827 4.709 3.732 1.00 0.00 N ATOM 200 CA HIS A 919 9.822 5.685 4.145 1.00 0.00 C ATOM 201 C HIS A 919 8.528 5.552 3.340 1.00 0.00 C ATOM 202 O HIS A 919 7.454 5.929 3.809 1.00 0.00 O ATOM 203 CB HIS A 919 10.379 7.124 4.100 1.00 0.00 C ATOM 204 CG HIS A 919 10.611 7.734 2.750 1.00 0.00 C ATOM 205 ND1 HIS A 919 9.610 8.024 1.850 1.00 0.00 N ATOM 206 CD2 HIS A 919 11.752 8.185 2.190 1.00 0.00 C ATOM 207 CE1 HIS A 919 10.128 8.623 0.798 1.00 0.00 C ATOM 208 NE2 HIS A 919 11.430 8.740 0.976 1.00 0.00 N ATOM 0 H HIS A 919 11.611 5.100 3.209 1.00 0.00 H new ATOM 0 HA HIS A 919 9.571 5.466 5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 919 9.691 7.769 4.647 1.00 0.00 H new ATOM 0 HB3 HIS A 919 11.325 7.136 4.642 1.00 0.00 H new ATOM 0 HD1 HIS A 919 8.621 7.808 1.978 1.00 0.00 H new ATOM 0 HD2 HIS A 919 12.741 8.121 2.619 1.00 0.00 H new ATOM 0 HE1 HIS A 919 9.578 8.962 -0.067 1.00 0.00 H new ATOM 216 N ALA A 920 8.629 5.006 2.141 1.00 0.00 N ATOM 217 CA ALA A 920 7.462 4.811 1.292 1.00 0.00 C ATOM 218 C ALA A 920 6.678 3.566 1.702 1.00 0.00 C ATOM 219 O ALA A 920 5.457 3.610 1.824 1.00 0.00 O ATOM 220 CB ALA A 920 7.871 4.720 -0.171 1.00 0.00 C ATOM 0 H ALA A 920 9.507 4.689 1.731 1.00 0.00 H new ATOM 0 HA ALA A 920 6.812 5.676 1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 920 6.984 4.574 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 920 8.372 5.642 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.550 3.878 -0.307 1.00 0.00 H new ATOM 226 N ALA A 921 7.382 2.464 1.932 1.00 0.00 N ATOM 227 CA ALA A 921 6.733 1.210 2.295 1.00 0.00 C ATOM 228 C ALA A 921 6.067 1.308 3.662 1.00 0.00 C ATOM 229 O ALA A 921 4.997 0.741 3.877 1.00 0.00 O ATOM 230 CB ALA A 921 7.728 0.062 2.267 1.00 0.00 C ATOM 0 H ALA A 921 8.399 2.413 1.874 1.00 0.00 H new ATOM 0 HA ALA A 921 5.956 1.012 1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.223 -0.864 2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.144 -0.035 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.532 0.260 2.976 1.00 0.00 H new ATOM 236 N LYS A 922 6.697 2.038 4.581 1.00 0.00 N ATOM 237 CA LYS A 922 6.135 2.235 5.914 1.00 0.00 C ATOM 238 C LYS A 922 4.782 2.935 5.838 1.00 0.00 C ATOM 239 O LYS A 922 3.794 2.452 6.397 1.00 0.00 O ATOM 240 CB LYS A 922 7.085 3.049 6.795 1.00 0.00 C ATOM 241 CG LYS A 922 8.326 2.287 7.231 1.00 0.00 C ATOM 242 CD LYS A 922 9.169 3.097 8.205 1.00 0.00 C ATOM 243 CE LYS A 922 9.808 4.304 7.537 1.00 0.00 C ATOM 244 NZ LYS A 922 10.424 5.223 8.528 1.00 0.00 N ATOM 0 H LYS A 922 7.593 2.501 4.427 1.00 0.00 H new ATOM 0 HA LYS A 922 5.998 1.250 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 922 7.392 3.943 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.546 3.383 7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 922 8.031 1.348 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 922 8.924 2.033 6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 922 8.545 3.430 9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 922 9.948 2.461 8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 922 10.568 3.969 6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 922 9.054 4.842 6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 10.849 6.033 8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 9.694 5.563 9.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 11.161 4.717 9.060 1.00 0.00 H new ATOM 258 N GLN A 923 4.734 4.062 5.134 1.00 0.00 N ATOM 259 CA GLN A 923 3.497 4.829 5.019 1.00 0.00 C ATOM 260 C GLN A 923 2.472 4.076 4.174 1.00 0.00 C ATOM 261 O GLN A 923 1.271 4.167 4.422 1.00 0.00 O ATOM 262 CB GLN A 923 3.768 6.214 4.425 1.00 0.00 C ATOM 263 CG GLN A 923 4.324 6.178 3.013 1.00 0.00 C ATOM 264 CD GLN A 923 4.631 7.556 2.475 1.00 0.00 C ATOM 265 OE1 GLN A 923 3.778 8.199 1.864 1.00 0.00 O ATOM 266 NE2 GLN A 923 5.848 8.020 2.706 1.00 0.00 N ATOM 0 H GLN A 923 5.530 4.462 4.638 1.00 0.00 H new ATOM 0 HA GLN A 923 3.087 4.961 6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 923 2.841 6.787 4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 923 4.470 6.744 5.068 1.00 0.00 H new ATOM 0 HG2 GLN A 923 5.232 5.576 2.999 1.00 0.00 H new ATOM 0 HG3 GLN A 923 3.606 5.687 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 923 6.522 7.451 3.217 1.00 0.00 H new ATOM 0 HE22 GLN A 923 6.112 8.947 2.373 1.00 0.00 H new ATOM 275 N ALA A 924 2.951 3.329 3.183 1.00 0.00 N ATOM 276 CA ALA A 924 2.076 2.509 2.357 1.00 0.00 C ATOM 277 C ALA A 924 1.401 1.441 3.205 1.00 0.00 C ATOM 278 O ALA A 924 0.188 1.262 3.139 1.00 0.00 O ATOM 279 CB ALA A 924 2.856 1.869 1.218 1.00 0.00 C ATOM 0 H ALA A 924 3.939 3.276 2.934 1.00 0.00 H new ATOM 0 HA ALA A 924 1.308 3.151 1.926 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.183 1.261 0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.298 2.648 0.597 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.646 1.239 1.627 1.00 0.00 H new ATOM 285 N ALA A 925 2.196 0.749 4.014 1.00 0.00 N ATOM 286 CA ALA A 925 1.679 -0.270 4.920 1.00 0.00 C ATOM 287 C ALA A 925 0.672 0.334 5.897 1.00 0.00 C ATOM 288 O ALA A 925 -0.376 -0.257 6.176 1.00 0.00 O ATOM 289 CB ALA A 925 2.828 -0.927 5.676 1.00 0.00 C ATOM 0 H ALA A 925 3.207 0.877 4.061 1.00 0.00 H new ATOM 0 HA ALA A 925 1.165 -1.029 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.433 -1.687 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.512 -1.392 4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.362 -0.172 6.253 1.00 0.00 H new ATOM 295 N ALA A 926 0.989 1.524 6.395 1.00 0.00 N ATOM 296 CA ALA A 926 0.121 2.224 7.329 1.00 0.00 C ATOM 297 C ALA A 926 -1.200 2.610 6.667 1.00 0.00 C ATOM 298 O ALA A 926 -2.275 2.284 7.172 1.00 0.00 O ATOM 299 CB ALA A 926 0.824 3.459 7.874 1.00 0.00 C ATOM 0 H ALA A 926 1.847 2.025 6.164 1.00 0.00 H new ATOM 0 HA ALA A 926 -0.102 1.551 8.157 1.00 0.00 H new ATOM 0 HB1 ALA A 926 0.165 3.975 8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.736 3.160 8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 926 1.075 4.128 7.051 1.00 0.00 H new ATOM 305 N SER A 927 -1.109 3.283 5.523 1.00 0.00 N ATOM 306 CA SER A 927 -2.290 3.739 4.802 1.00 0.00 C ATOM 307 C SER A 927 -3.136 2.552 4.347 1.00 0.00 C ATOM 308 O SER A 927 -4.367 2.603 4.377 1.00 0.00 O ATOM 309 CB SER A 927 -1.876 4.593 3.598 1.00 0.00 C ATOM 310 OG SER A 927 -2.995 5.242 3.020 1.00 0.00 O ATOM 0 H SER A 927 -0.225 3.525 5.075 1.00 0.00 H new ATOM 0 HA SER A 927 -2.892 4.349 5.475 1.00 0.00 H new ATOM 0 HB2 SER A 927 -1.143 5.336 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 927 -1.392 3.963 2.851 1.00 0.00 H new ATOM 0 HG SER A 927 -3.123 6.115 3.446 1.00 0.00 H new ATOM 316 N ALA A 928 -2.471 1.474 3.942 1.00 0.00 N ATOM 317 CA ALA A 928 -3.160 0.258 3.530 1.00 0.00 C ATOM 318 C ALA A 928 -4.001 -0.293 4.670 1.00 0.00 C ATOM 319 O ALA A 928 -5.158 -0.660 4.476 1.00 0.00 O ATOM 320 CB ALA A 928 -2.164 -0.786 3.065 1.00 0.00 C ATOM 0 H ALA A 928 -1.454 1.419 3.891 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.820 0.506 2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.697 -1.687 2.761 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.597 -0.397 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.481 -1.026 3.880 1.00 0.00 H new ATOM 326 N THR A 929 -3.415 -0.322 5.860 1.00 0.00 N ATOM 327 CA THR A 929 -4.107 -0.797 7.050 1.00 0.00 C ATOM 328 C THR A 929 -5.388 0.007 7.283 1.00 0.00 C ATOM 329 O THR A 929 -6.438 -0.549 7.619 1.00 0.00 O ATOM 330 CB THR A 929 -3.192 -0.697 8.289 1.00 0.00 C ATOM 331 OG1 THR A 929 -1.971 -1.416 8.050 1.00 0.00 O ATOM 332 CG2 THR A 929 -3.879 -1.256 9.529 1.00 0.00 C ATOM 0 H THR A 929 -2.455 -0.020 6.027 1.00 0.00 H new ATOM 0 HA THR A 929 -4.371 -1.843 6.893 1.00 0.00 H new ATOM 0 HB THR A 929 -2.973 0.356 8.465 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.410 -0.909 7.427 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.210 -1.172 10.385 1.00 0.00 H new ATOM 0 HG22 THR A 929 -4.791 -0.692 9.725 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.128 -2.304 9.365 1.00 0.00 H new ATOM 340 N GLN A 930 -5.293 1.316 7.069 1.00 0.00 N ATOM 341 CA GLN A 930 -6.434 2.208 7.223 1.00 0.00 C ATOM 342 C GLN A 930 -7.467 1.947 6.129 1.00 0.00 C ATOM 343 O GLN A 930 -8.665 1.889 6.397 1.00 0.00 O ATOM 344 CB GLN A 930 -5.978 3.668 7.167 1.00 0.00 C ATOM 345 CG GLN A 930 -4.840 3.984 8.123 1.00 0.00 C ATOM 346 CD GLN A 930 -4.401 5.437 8.068 1.00 0.00 C ATOM 347 OE1 GLN A 930 -5.336 6.340 7.814 1.00 0.00 O flip ATOM 348 NE2 GLN A 930 -3.228 5.748 8.270 1.00 0.00 N flip ATOM 0 H GLN A 930 -4.431 1.783 6.787 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.892 2.015 8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -5.664 3.904 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -6.825 4.314 7.397 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -5.150 3.743 9.140 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -3.989 3.345 7.889 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -2.535 5.025 8.463 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -2.949 6.729 8.245 1.00 0.00 H new ATOM 357 N THR A 931 -6.988 1.767 4.902 1.00 0.00 N ATOM 358 CA THR A 931 -7.864 1.572 3.755 1.00 0.00 C ATOM 359 C THR A 931 -8.652 0.265 3.868 1.00 0.00 C ATOM 360 O THR A 931 -9.833 0.219 3.529 1.00 0.00 O ATOM 361 CB THR A 931 -7.063 1.583 2.437 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.221 2.742 2.390 1.00 0.00 O ATOM 363 CG2 THR A 931 -7.997 1.593 1.233 1.00 0.00 C ATOM 0 H THR A 931 -5.993 1.752 4.677 1.00 0.00 H new ATOM 0 HA THR A 931 -8.570 2.403 3.747 1.00 0.00 H new ATOM 0 HB THR A 931 -6.454 0.680 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.555 2.692 3.107 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.408 1.601 0.316 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.626 0.703 1.253 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.626 2.483 1.268 1.00 0.00 H new ATOM 371 N ILE A 932 -8.004 -0.791 4.357 1.00 0.00 N ATOM 372 CA ILE A 932 -8.671 -2.083 4.532 1.00 0.00 C ATOM 373 C ILE A 932 -9.838 -1.959 5.505 1.00 0.00 C ATOM 374 O ILE A 932 -10.962 -2.367 5.202 1.00 0.00 O ATOM 375 CB ILE A 932 -7.697 -3.164 5.045 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.561 -3.375 4.045 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.432 -4.476 5.295 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.500 -4.333 4.532 1.00 0.00 C ATOM 0 H ILE A 932 -7.024 -0.780 4.638 1.00 0.00 H new ATOM 0 HA ILE A 932 -9.041 -2.386 3.552 1.00 0.00 H new ATOM 0 HB ILE A 932 -7.273 -2.822 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -6.976 -3.750 3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.098 -2.413 3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.727 -5.225 5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -9.210 -4.320 6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -8.885 -4.822 4.366 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -4.725 -4.435 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -5.058 -3.949 5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -5.950 -5.307 4.725 1.00 0.00 H new ATOM 390 N ALA A 933 -9.565 -1.377 6.667 1.00 0.00 N ATOM 391 CA ALA A 933 -10.590 -1.175 7.682 1.00 0.00 C ATOM 392 C ALA A 933 -11.687 -0.265 7.152 1.00 0.00 C ATOM 393 O ALA A 933 -12.870 -0.471 7.428 1.00 0.00 O ATOM 394 CB ALA A 933 -9.977 -0.589 8.943 1.00 0.00 C ATOM 0 H ALA A 933 -8.640 -1.036 6.929 1.00 0.00 H new ATOM 0 HA ALA A 933 -11.031 -2.141 7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.755 -0.444 9.692 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -9.222 -1.272 9.332 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.514 0.370 8.711 1.00 0.00 H new ATOM 400 N ALA A 934 -11.282 0.735 6.382 1.00 0.00 N ATOM 401 CA ALA A 934 -12.218 1.657 5.760 1.00 0.00 C ATOM 402 C ALA A 934 -13.123 0.930 4.774 1.00 0.00 C ATOM 403 O ALA A 934 -14.338 1.079 4.817 1.00 0.00 O ATOM 404 CB ALA A 934 -11.466 2.776 5.056 1.00 0.00 C ATOM 0 H ALA A 934 -10.303 0.928 6.173 1.00 0.00 H new ATOM 0 HA ALA A 934 -12.842 2.088 6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.179 3.459 4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -10.860 3.319 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -10.820 2.353 4.287 1.00 0.00 H new ATOM 410 N ALA A 935 -12.520 0.131 3.901 1.00 0.00 N ATOM 411 CA ALA A 935 -13.258 -0.588 2.864 1.00 0.00 C ATOM 412 C ALA A 935 -14.310 -1.510 3.467 1.00 0.00 C ATOM 413 O ALA A 935 -15.479 -1.473 3.078 1.00 0.00 O ATOM 414 CB ALA A 935 -12.299 -1.382 1.987 1.00 0.00 C ATOM 0 H ALA A 935 -11.514 -0.037 3.890 1.00 0.00 H new ATOM 0 HA ALA A 935 -13.774 0.149 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -12.862 -1.912 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.591 -0.702 1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.756 -2.101 2.600 1.00 0.00 H new ATOM 420 N GLN A 936 -13.892 -2.311 4.437 1.00 0.00 N ATOM 421 CA GLN A 936 -14.777 -3.288 5.058 1.00 0.00 C ATOM 422 C GLN A 936 -15.886 -2.609 5.860 1.00 0.00 C ATOM 423 O GLN A 936 -16.974 -3.157 6.014 1.00 0.00 O ATOM 424 CB GLN A 936 -13.974 -4.226 5.956 1.00 0.00 C ATOM 425 CG GLN A 936 -12.903 -5.011 5.213 1.00 0.00 C ATOM 426 CD GLN A 936 -12.056 -5.870 6.132 1.00 0.00 C ATOM 427 OE1 GLN A 936 -11.883 -5.426 7.369 1.00 0.00 O flip ATOM 428 NE2 GLN A 936 -11.559 -6.925 5.732 1.00 0.00 N flip ATOM 0 H GLN A 936 -12.943 -2.304 4.812 1.00 0.00 H new ATOM 0 HA GLN A 936 -15.248 -3.867 4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -13.502 -3.643 6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -14.656 -4.926 6.439 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -13.378 -5.647 4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -12.257 -4.316 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -11.717 -7.231 4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -10.990 -7.492 6.361 1.00 0.00 H new ATOM 437 N HIS A 937 -15.609 -1.414 6.366 1.00 0.00 N ATOM 438 CA HIS A 937 -16.593 -0.682 7.156 1.00 0.00 C ATOM 439 C HIS A 937 -17.525 0.129 6.260 1.00 0.00 C ATOM 440 O HIS A 937 -18.743 0.092 6.424 1.00 0.00 O ATOM 441 CB HIS A 937 -15.895 0.247 8.155 1.00 0.00 C ATOM 442 CG HIS A 937 -16.844 1.072 8.971 1.00 0.00 C ATOM 443 ND1 HIS A 937 -17.024 2.424 8.775 1.00 0.00 N ATOM 444 CD2 HIS A 937 -17.672 0.729 9.984 1.00 0.00 C ATOM 445 CE1 HIS A 937 -17.921 2.874 9.631 1.00 0.00 C ATOM 446 NE2 HIS A 937 -18.331 1.868 10.375 1.00 0.00 N ATOM 0 H HIS A 937 -14.718 -0.933 6.245 1.00 0.00 H new ATOM 0 HA HIS A 937 -17.189 -1.412 7.703 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -15.278 -0.352 8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -15.223 0.912 7.612 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -17.792 -0.258 10.407 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -18.262 3.896 9.709 1.00 0.00 H new ATOM 0 HE2 HIS A 937 -19.025 1.926 11.120 1.00 0.00 H new ATOM 614 N LEU A 951 -14.314 -6.937 -5.661 1.00 0.00 N ATOM 615 CA LEU A 951 -12.968 -6.395 -5.769 1.00 0.00 C ATOM 616 C LEU A 951 -12.460 -5.971 -4.402 1.00 0.00 C ATOM 617 O LEU A 951 -11.298 -6.196 -4.069 1.00 0.00 O ATOM 618 CB LEU A 951 -12.913 -5.202 -6.738 1.00 0.00 C ATOM 619 CG LEU A 951 -13.129 -5.525 -8.223 1.00 0.00 C ATOM 620 CD1 LEU A 951 -12.269 -6.706 -8.652 1.00 0.00 C ATOM 621 CD2 LEU A 951 -14.598 -5.788 -8.521 1.00 0.00 C ATOM 0 HA LEU A 951 -12.328 -7.183 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -13.667 -4.477 -6.432 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -11.943 -4.718 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 951 -12.822 -4.654 -8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -12.440 -6.916 -9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -11.217 -6.466 -8.495 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -12.534 -7.583 -8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -14.720 -6.014 -9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -14.944 -6.634 -7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -15.184 -4.904 -8.269 1.00 0.00 H new ATOM 633 N LEU A 952 -13.342 -5.372 -3.607 1.00 0.00 N ATOM 634 CA LEU A 952 -12.991 -4.939 -2.257 1.00 0.00 C ATOM 635 C LEU A 952 -12.504 -6.107 -1.416 1.00 0.00 C ATOM 636 O LEU A 952 -11.376 -6.101 -0.931 1.00 0.00 O ATOM 637 CB LEU A 952 -14.185 -4.284 -1.563 1.00 0.00 C ATOM 638 CG LEU A 952 -14.497 -2.853 -1.992 1.00 0.00 C ATOM 639 CD1 LEU A 952 -15.700 -2.329 -1.230 1.00 0.00 C ATOM 640 CD2 LEU A 952 -13.292 -1.953 -1.760 1.00 0.00 C ATOM 0 H LEU A 952 -14.306 -5.175 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 952 -12.187 -4.209 -2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -15.068 -4.898 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -14.005 -4.290 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 952 -14.729 -2.852 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -15.913 -1.307 -1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -16.565 -2.960 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -15.488 -2.343 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -13.532 -0.936 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -13.034 -1.957 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -12.446 -2.320 -2.341 1.00 0.00 H new ATOM 652 N VAL A 953 -13.346 -7.118 -1.271 1.00 0.00 N ATOM 653 CA VAL A 953 -13.038 -8.247 -0.399 1.00 0.00 C ATOM 654 C VAL A 953 -11.838 -9.041 -0.917 1.00 0.00 C ATOM 655 O VAL A 953 -11.117 -9.680 -0.143 1.00 0.00 O ATOM 656 CB VAL A 953 -14.255 -9.187 -0.249 1.00 0.00 C ATOM 657 CG1 VAL A 953 -13.962 -10.302 0.744 1.00 0.00 C ATOM 658 CG2 VAL A 953 -15.489 -8.405 0.175 1.00 0.00 C ATOM 0 H VAL A 953 -14.247 -7.183 -1.744 1.00 0.00 H new ATOM 0 HA VAL A 953 -12.789 -7.835 0.579 1.00 0.00 H new ATOM 0 HB VAL A 953 -14.452 -9.641 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -14.834 -10.950 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -13.110 -10.886 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -13.731 -9.870 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -16.335 -9.086 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -15.300 -7.918 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -15.718 -7.650 -0.577 1.00 0.00 H new ATOM 668 N GLN A 954 -11.608 -9.003 -2.220 1.00 0.00 N ATOM 669 CA GLN A 954 -10.494 -9.735 -2.792 1.00 0.00 C ATOM 670 C GLN A 954 -9.186 -8.976 -2.593 1.00 0.00 C ATOM 671 O GLN A 954 -8.144 -9.575 -2.323 1.00 0.00 O ATOM 672 CB GLN A 954 -10.727 -10.023 -4.277 1.00 0.00 C ATOM 673 CG GLN A 954 -9.645 -10.891 -4.909 1.00 0.00 C ATOM 674 CD GLN A 954 -9.520 -12.264 -4.262 1.00 0.00 C ATOM 675 OE1 GLN A 954 -9.799 -12.443 -3.077 1.00 0.00 O ATOM 676 NE2 GLN A 954 -9.092 -13.244 -5.039 1.00 0.00 N ATOM 0 H GLN A 954 -12.170 -8.480 -2.892 1.00 0.00 H new ATOM 0 HA GLN A 954 -10.421 -10.689 -2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -11.692 -10.516 -4.396 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -10.784 -9.078 -4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -9.862 -11.015 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -8.687 -10.375 -4.838 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -8.870 -13.059 -6.017 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -8.984 -14.185 -4.660 1.00 0.00 H new ATOM 685 N SER A 955 -9.239 -7.659 -2.705 1.00 0.00 N ATOM 686 CA SER A 955 -8.046 -6.852 -2.534 1.00 0.00 C ATOM 687 C SER A 955 -7.705 -6.683 -1.054 1.00 0.00 C ATOM 688 O SER A 955 -6.538 -6.760 -0.674 1.00 0.00 O ATOM 689 CB SER A 955 -8.216 -5.492 -3.213 1.00 0.00 C ATOM 690 OG SER A 955 -9.409 -4.851 -2.797 1.00 0.00 O ATOM 0 H SER A 955 -10.087 -7.132 -2.912 1.00 0.00 H new ATOM 0 HA SER A 955 -7.214 -7.371 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 955 -7.360 -4.858 -2.980 1.00 0.00 H new ATOM 0 HB3 SER A 955 -8.230 -5.623 -4.295 1.00 0.00 H new ATOM 0 HG SER A 955 -10.141 -5.100 -3.399 1.00 0.00 H new ATOM 696 N CYS A 956 -8.730 -6.493 -0.222 1.00 0.00 N ATOM 697 CA CYS A 956 -8.520 -6.248 1.202 1.00 0.00 C ATOM 698 C CYS A 956 -7.802 -7.421 1.865 1.00 0.00 C ATOM 699 O CYS A 956 -6.894 -7.222 2.673 1.00 0.00 O ATOM 700 CB CYS A 956 -9.856 -5.965 1.908 1.00 0.00 C ATOM 701 SG CYS A 956 -10.970 -7.385 2.033 1.00 0.00 S ATOM 0 H CYS A 956 -9.709 -6.504 -0.510 1.00 0.00 H new ATOM 0 HA CYS A 956 -7.885 -5.367 1.298 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -9.648 -5.596 2.912 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -10.370 -5.165 1.374 1.00 0.00 H new ATOM 0 HG CYS A 956 -12.060 -7.029 2.646 1.00 0.00 H new ATOM 707 N LYS A 957 -8.190 -8.646 1.507 1.00 0.00 N ATOM 708 CA LYS A 957 -7.567 -9.830 2.085 1.00 0.00 C ATOM 709 C LYS A 957 -6.115 -9.949 1.627 1.00 0.00 C ATOM 710 O LYS A 957 -5.242 -10.355 2.399 1.00 0.00 O ATOM 711 CB LYS A 957 -8.340 -11.109 1.726 1.00 0.00 C ATOM 712 CG LYS A 957 -8.350 -11.442 0.240 1.00 0.00 C ATOM 713 CD LYS A 957 -8.767 -12.884 -0.013 1.00 0.00 C ATOM 714 CE LYS A 957 -10.225 -13.134 0.343 1.00 0.00 C ATOM 715 NZ LYS A 957 -11.157 -12.468 -0.602 1.00 0.00 N ATOM 0 H LYS A 957 -8.925 -8.840 0.827 1.00 0.00 H new ATOM 0 HA LYS A 957 -7.591 -9.716 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -7.905 -11.947 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -9.369 -11.005 2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -9.033 -10.770 -0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -7.358 -11.272 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -8.605 -13.128 -1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -8.133 -13.551 0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -10.418 -14.207 0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -10.417 -12.774 1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -12.101 -12.897 -0.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -11.216 -11.455 -0.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -10.808 -12.586 -1.575 1.00 0.00 H new ATOM 729 N ALA A 958 -5.863 -9.573 0.379 1.00 0.00 N ATOM 730 CA ALA A 958 -4.528 -9.657 -0.189 1.00 0.00 C ATOM 731 C ALA A 958 -3.613 -8.616 0.439 1.00 0.00 C ATOM 732 O ALA A 958 -2.536 -8.943 0.940 1.00 0.00 O ATOM 733 CB ALA A 958 -4.583 -9.480 -1.698 1.00 0.00 C ATOM 0 H ALA A 958 -6.570 -9.206 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 958 -4.121 -10.645 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -3.576 -9.545 -2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.204 -10.263 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -5.009 -8.505 -1.935 1.00 0.00 H new ATOM 739 N VAL A 959 -4.065 -7.365 0.434 1.00 0.00 N ATOM 740 CA VAL A 959 -3.292 -6.262 0.990 1.00 0.00 C ATOM 741 C VAL A 959 -2.956 -6.518 2.456 1.00 0.00 C ATOM 742 O VAL A 959 -1.839 -6.256 2.897 1.00 0.00 O ATOM 743 CB VAL A 959 -4.049 -4.921 0.858 1.00 0.00 C ATOM 744 CG1 VAL A 959 -3.282 -3.793 1.522 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.301 -4.597 -0.605 1.00 0.00 C ATOM 0 H VAL A 959 -4.968 -7.090 0.048 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.366 -6.196 0.418 1.00 0.00 H new ATOM 0 HB VAL A 959 -5.008 -5.024 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.838 -2.862 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -3.151 -4.016 2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.305 -3.690 1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -4.835 -3.650 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.349 -4.520 -1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -4.900 -5.388 -1.055 1.00 0.00 H new ATOM 755 N ALA A 960 -3.921 -7.062 3.194 1.00 0.00 N ATOM 756 CA ALA A 960 -3.739 -7.355 4.612 1.00 0.00 C ATOM 757 C ALA A 960 -2.524 -8.246 4.856 1.00 0.00 C ATOM 758 O ALA A 960 -1.814 -8.077 5.845 1.00 0.00 O ATOM 759 CB ALA A 960 -4.989 -8.006 5.183 1.00 0.00 C ATOM 0 H ALA A 960 -4.841 -7.310 2.830 1.00 0.00 H new ATOM 0 HA ALA A 960 -3.563 -6.408 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -4.838 -8.218 6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.837 -7.331 5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -5.190 -8.936 4.651 1.00 0.00 H new ATOM 765 N GLU A 961 -2.277 -9.179 3.944 1.00 0.00 N ATOM 766 CA GLU A 961 -1.160 -10.104 4.091 1.00 0.00 C ATOM 767 C GLU A 961 0.141 -9.483 3.587 1.00 0.00 C ATOM 768 O GLU A 961 1.230 -9.890 3.991 1.00 0.00 O ATOM 769 CB GLU A 961 -1.440 -11.406 3.340 1.00 0.00 C ATOM 770 CG GLU A 961 -2.693 -12.126 3.811 1.00 0.00 C ATOM 771 CD GLU A 961 -2.674 -12.409 5.299 1.00 0.00 C ATOM 772 OE1 GLU A 961 -1.885 -13.275 5.733 1.00 0.00 O ATOM 773 OE2 GLU A 961 -3.445 -11.770 6.045 1.00 0.00 O ATOM 0 H GLU A 961 -2.832 -9.315 3.099 1.00 0.00 H new ATOM 0 HA GLU A 961 -1.048 -10.322 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.535 -11.188 2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.585 -12.072 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -3.568 -11.522 3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -2.795 -13.065 3.267 1.00 0.00 H new ATOM 780 N GLN A 962 0.025 -8.488 2.720 1.00 0.00 N ATOM 781 CA GLN A 962 1.198 -7.859 2.122 1.00 0.00 C ATOM 782 C GLN A 962 1.782 -6.788 3.043 1.00 0.00 C ATOM 783 O GLN A 962 2.966 -6.459 2.950 1.00 0.00 O ATOM 784 CB GLN A 962 0.841 -7.249 0.765 1.00 0.00 C ATOM 785 CG GLN A 962 0.283 -8.256 -0.229 1.00 0.00 C ATOM 786 CD GLN A 962 1.270 -9.351 -0.593 1.00 0.00 C ATOM 787 OE1 GLN A 962 2.551 -9.013 -0.631 1.00 0.00 O flip ATOM 788 NE2 GLN A 962 0.881 -10.489 -0.854 1.00 0.00 N flip ATOM 0 H GLN A 962 -0.866 -8.098 2.414 1.00 0.00 H new ATOM 0 HA GLN A 962 1.954 -8.630 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 962 0.109 -6.455 0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 962 1.731 -6.786 0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 962 -0.615 -8.710 0.190 1.00 0.00 H new ATOM 0 HG3 GLN A 962 -0.018 -7.732 -1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 962 -0.114 -10.710 -0.813 1.00 0.00 H new ATOM 0 HE22 GLN A 962 1.554 -11.212 -1.111 1.00 0.00 H new ATOM 797 N ILE A 963 0.948 -6.252 3.931 1.00 0.00 N ATOM 798 CA ILE A 963 1.379 -5.223 4.881 1.00 0.00 C ATOM 799 C ILE A 963 2.571 -5.691 5.736 1.00 0.00 C ATOM 800 O ILE A 963 3.603 -5.016 5.767 1.00 0.00 O ATOM 801 CB ILE A 963 0.219 -4.776 5.801 1.00 0.00 C ATOM 802 CG1 ILE A 963 -0.915 -4.174 4.967 1.00 0.00 C ATOM 803 CG2 ILE A 963 0.712 -3.769 6.835 1.00 0.00 C ATOM 804 CD1 ILE A 963 -2.163 -3.871 5.766 1.00 0.00 C ATOM 0 H ILE A 963 -0.035 -6.513 4.014 1.00 0.00 H new ATOM 0 HA ILE A 963 1.700 -4.370 4.284 1.00 0.00 H new ATOM 0 HB ILE A 963 -0.161 -5.650 6.329 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.562 -3.255 4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -1.168 -4.864 4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -0.118 -3.466 7.473 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.491 -4.226 7.446 1.00 0.00 H new ATOM 0 HG23 ILE A 963 1.117 -2.894 6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -2.922 -3.447 5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.542 -4.791 6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -1.926 -3.156 6.554 1.00 0.00 H new ATOM 816 N PRO A 964 2.464 -6.845 6.438 1.00 0.00 N ATOM 817 CA PRO A 964 3.570 -7.367 7.251 1.00 0.00 C ATOM 818 C PRO A 964 4.830 -7.606 6.426 1.00 0.00 C ATOM 819 O PRO A 964 5.946 -7.442 6.919 1.00 0.00 O ATOM 820 CB PRO A 964 3.033 -8.696 7.795 1.00 0.00 C ATOM 821 CG PRO A 964 1.553 -8.568 7.724 1.00 0.00 C ATOM 822 CD PRO A 964 1.274 -7.717 6.522 1.00 0.00 C ATOM 0 HA PRO A 964 3.862 -6.663 8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 964 3.386 -9.538 7.200 1.00 0.00 H new ATOM 0 HB3 PRO A 964 3.366 -8.868 8.819 1.00 0.00 H new ATOM 0 HG2 PRO A 964 1.080 -9.545 7.629 1.00 0.00 H new ATOM 0 HG3 PRO A 964 1.156 -8.108 8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 964 1.153 -8.320 5.622 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.359 -7.138 6.643 1.00 0.00 H new ATOM 830 N LEU A 965 4.644 -7.975 5.164 1.00 0.00 N ATOM 831 CA LEU A 965 5.763 -8.241 4.270 1.00 0.00 C ATOM 832 C LEU A 965 6.523 -6.957 3.957 1.00 0.00 C ATOM 833 O LEU A 965 7.751 -6.963 3.859 1.00 0.00 O ATOM 834 CB LEU A 965 5.270 -8.905 2.985 1.00 0.00 C ATOM 835 CG LEU A 965 4.684 -10.303 3.177 1.00 0.00 C ATOM 836 CD1 LEU A 965 4.154 -10.850 1.863 1.00 0.00 C ATOM 837 CD2 LEU A 965 5.733 -11.236 3.760 1.00 0.00 C ATOM 0 H LEU A 965 3.726 -8.097 4.737 1.00 0.00 H new ATOM 0 HA LEU A 965 6.449 -8.924 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 965 4.513 -8.267 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 965 6.100 -8.967 2.282 1.00 0.00 H new ATOM 0 HG LEU A 965 3.850 -10.235 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 965 3.742 -11.846 2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 965 3.373 -10.191 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 965 4.966 -10.906 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 965 5.304 -12.229 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 965 6.584 -11.296 3.081 1.00 0.00 H new ATOM 0 HD23 LEU A 965 6.065 -10.853 4.725 1.00 0.00 H new ATOM 849 N LEU A 966 5.786 -5.860 3.809 1.00 0.00 N ATOM 850 CA LEU A 966 6.396 -4.549 3.624 1.00 0.00 C ATOM 851 C LEU A 966 7.254 -4.195 4.822 1.00 0.00 C ATOM 852 O LEU A 966 8.443 -3.923 4.690 1.00 0.00 O ATOM 853 CB LEU A 966 5.334 -3.463 3.462 1.00 0.00 C ATOM 854 CG LEU A 966 4.533 -3.493 2.169 1.00 0.00 C ATOM 855 CD1 LEU A 966 3.492 -2.388 2.200 1.00 0.00 C ATOM 856 CD2 LEU A 966 5.452 -3.332 0.968 1.00 0.00 C ATOM 0 H LEU A 966 4.766 -5.854 3.814 1.00 0.00 H new ATOM 0 HA LEU A 966 7.005 -4.599 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.638 -3.537 4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 966 5.823 -2.492 3.540 1.00 0.00 H new ATOM 0 HG LEU A 966 4.031 -4.456 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 966 2.915 -2.405 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 966 2.824 -2.541 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 966 3.989 -1.423 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 966 4.861 -3.356 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.977 -2.379 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.177 -4.145 0.953 1.00 0.00 H new ATOM 868 N VAL A 967 6.635 -4.215 5.993 1.00 0.00 N ATOM 869 CA VAL A 967 7.288 -3.801 7.225 1.00 0.00 C ATOM 870 C VAL A 967 8.492 -4.686 7.540 1.00 0.00 C ATOM 871 O VAL A 967 9.534 -4.194 7.975 1.00 0.00 O ATOM 872 CB VAL A 967 6.295 -3.808 8.402 1.00 0.00 C ATOM 873 CG1 VAL A 967 6.961 -3.322 9.682 1.00 0.00 C ATOM 874 CG2 VAL A 967 5.085 -2.948 8.063 1.00 0.00 C ATOM 0 H VAL A 967 5.669 -4.518 6.116 1.00 0.00 H new ATOM 0 HA VAL A 967 7.646 -2.782 7.080 1.00 0.00 H new ATOM 0 HB VAL A 967 5.963 -4.833 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 967 6.237 -3.337 10.497 1.00 0.00 H new ATOM 0 HG12 VAL A 967 7.798 -3.976 9.928 1.00 0.00 H new ATOM 0 HG13 VAL A 967 7.325 -2.305 9.539 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.386 -2.957 8.900 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.408 -1.925 7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.593 -3.346 7.175 1.00 0.00 H new ATOM 884 N GLN A 968 8.357 -5.986 7.300 1.00 0.00 N ATOM 885 CA GLN A 968 9.472 -6.904 7.478 1.00 0.00 C ATOM 886 C GLN A 968 10.586 -6.573 6.487 1.00 0.00 C ATOM 887 O GLN A 968 11.771 -6.696 6.800 1.00 0.00 O ATOM 888 CB GLN A 968 9.011 -8.356 7.305 1.00 0.00 C ATOM 889 CG GLN A 968 10.109 -9.390 7.535 1.00 0.00 C ATOM 890 CD GLN A 968 10.514 -9.553 8.995 1.00 0.00 C ATOM 891 OE1 GLN A 968 10.405 -8.494 9.784 1.00 0.00 O flip ATOM 892 NE2 GLN A 968 10.927 -10.633 9.412 1.00 0.00 N flip ATOM 0 H GLN A 968 7.492 -6.424 6.984 1.00 0.00 H new ATOM 0 HA GLN A 968 9.859 -6.790 8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 968 8.192 -8.551 7.998 1.00 0.00 H new ATOM 0 HB3 GLN A 968 8.613 -8.482 6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 968 9.772 -10.354 7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 968 10.987 -9.107 6.955 1.00 0.00 H new ATOM 0 HE21 GLN A 968 10.999 -11.430 8.780 1.00 0.00 H new ATOM 0 HE22 GLN A 968 11.197 -10.732 10.391 1.00 0.00 H new ATOM 901 N GLY A 969 10.196 -6.139 5.296 1.00 0.00 N ATOM 902 CA GLY A 969 11.164 -5.694 4.314 1.00 0.00 C ATOM 903 C GLY A 969 11.856 -4.417 4.750 1.00 0.00 C ATOM 904 O GLY A 969 13.081 -4.311 4.678 1.00 0.00 O ATOM 0 H GLY A 969 9.224 -6.087 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 969 11.907 -6.475 4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 969 10.665 -5.530 3.359 1.00 0.00 H new ATOM 908 N VAL A 970 11.067 -3.453 5.218 1.00 0.00 N ATOM 909 CA VAL A 970 11.598 -2.188 5.716 1.00 0.00 C ATOM 910 C VAL A 970 12.570 -2.436 6.864 1.00 0.00 C ATOM 911 O VAL A 970 13.708 -1.969 6.840 1.00 0.00 O ATOM 912 CB VAL A 970 10.477 -1.244 6.209 1.00 0.00 C ATOM 913 CG1 VAL A 970 11.053 0.101 6.621 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.404 -1.060 5.146 1.00 0.00 C ATOM 0 H VAL A 970 10.051 -3.526 5.263 1.00 0.00 H new ATOM 0 HA VAL A 970 12.113 -1.710 4.882 1.00 0.00 H new ATOM 0 HB VAL A 970 10.012 -1.705 7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 970 10.249 0.751 6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.773 -0.043 7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.551 0.560 5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.630 -0.391 5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 970 9.850 -0.630 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 970 8.962 -2.027 4.904 1.00 0.00 H new ATOM 924 N ARG A 971 12.118 -3.194 7.857 1.00 0.00 N ATOM 925 CA ARG A 971 12.936 -3.510 9.023 1.00 0.00 C ATOM 926 C ARG A 971 14.166 -4.325 8.633 1.00 0.00 C ATOM 927 O ARG A 971 15.183 -4.292 9.324 1.00 0.00 O ATOM 928 CB ARG A 971 12.113 -4.261 10.069 1.00 0.00 C ATOM 929 CG ARG A 971 11.104 -3.379 10.784 1.00 0.00 C ATOM 930 CD ARG A 971 10.269 -4.171 11.775 1.00 0.00 C ATOM 931 NE ARG A 971 9.480 -3.299 12.643 1.00 0.00 N ATOM 932 CZ ARG A 971 8.487 -3.722 13.425 1.00 0.00 C ATOM 933 NH1 ARG A 971 8.081 -4.984 13.369 1.00 0.00 N ATOM 934 NH2 ARG A 971 7.882 -2.871 14.243 1.00 0.00 N ATOM 0 H ARG A 971 11.184 -3.603 7.878 1.00 0.00 H new ATOM 0 HA ARG A 971 13.277 -2.569 9.454 1.00 0.00 H new ATOM 0 HB2 ARG A 971 11.587 -5.084 9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 971 12.787 -4.701 10.804 1.00 0.00 H new ATOM 0 HG2 ARG A 971 11.627 -2.578 11.307 1.00 0.00 H new ATOM 0 HG3 ARG A 971 10.449 -2.907 10.051 1.00 0.00 H new ATOM 0 HD2 ARG A 971 9.603 -4.843 11.233 1.00 0.00 H new ATOM 0 HD3 ARG A 971 10.923 -4.794 12.385 1.00 0.00 H new ATOM 0 HE ARG A 971 9.703 -2.304 12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 971 8.529 -5.636 12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 971 7.321 -5.302 13.970 1.00 0.00 H new ATOM 0 HH21 ARG A 971 8.177 -1.895 14.273 1.00 0.00 H new ATOM 0 HH22 ARG A 971 7.122 -3.193 14.842 1.00 0.00 H new ATOM 948 N GLY A 972 14.067 -5.047 7.525 1.00 0.00 N ATOM 949 CA GLY A 972 15.207 -5.782 7.016 1.00 0.00 C ATOM 950 C GLY A 972 16.301 -4.854 6.531 1.00 0.00 C ATOM 951 O GLY A 972 17.480 -5.059 6.823 1.00 0.00 O ATOM 0 H GLY A 972 13.216 -5.137 6.969 1.00 0.00 H new ATOM 0 HA2 GLY A 972 15.601 -6.431 7.799 1.00 0.00 H new ATOM 0 HA3 GLY A 972 14.888 -6.427 6.198 1.00 0.00 H new ATOM 955 N SER A 973 15.902 -3.822 5.802 1.00 0.00 N ATOM 956 CA SER A 973 16.839 -2.828 5.303 1.00 0.00 C ATOM 957 C SER A 973 17.324 -1.938 6.449 1.00 0.00 C ATOM 958 O SER A 973 18.470 -1.489 6.463 1.00 0.00 O ATOM 959 CB SER A 973 16.173 -1.985 4.210 1.00 0.00 C ATOM 960 OG SER A 973 17.108 -1.136 3.563 1.00 0.00 O ATOM 0 H SER A 973 14.930 -3.651 5.542 1.00 0.00 H new ATOM 0 HA SER A 973 17.702 -3.336 4.873 1.00 0.00 H new ATOM 0 HB2 SER A 973 15.708 -2.642 3.475 1.00 0.00 H new ATOM 0 HB3 SER A 973 15.377 -1.383 4.648 1.00 0.00 H new ATOM 0 HG SER A 973 17.127 -1.341 2.605 1.00 0.00 H new ATOM 966 N GLN A 974 16.446 -1.703 7.422 1.00 0.00 N ATOM 967 CA GLN A 974 16.792 -0.904 8.593 1.00 0.00 C ATOM 968 C GLN A 974 17.812 -1.623 9.469 1.00 0.00 C ATOM 969 O GLN A 974 18.588 -0.985 10.184 1.00 0.00 O ATOM 970 CB GLN A 974 15.542 -0.585 9.413 1.00 0.00 C ATOM 971 CG GLN A 974 14.593 0.380 8.724 1.00 0.00 C ATOM 972 CD GLN A 974 13.358 0.677 9.549 1.00 0.00 C ATOM 973 OE1 GLN A 974 12.879 -0.170 10.305 1.00 0.00 O ATOM 974 NE2 GLN A 974 12.842 1.885 9.416 1.00 0.00 N ATOM 0 H GLN A 974 15.489 -2.056 7.421 1.00 0.00 H new ATOM 0 HA GLN A 974 17.235 0.027 8.239 1.00 0.00 H new ATOM 0 HB2 GLN A 974 15.011 -1.513 9.627 1.00 0.00 H new ATOM 0 HB3 GLN A 974 15.844 -0.162 10.371 1.00 0.00 H new ATOM 0 HG2 GLN A 974 15.118 1.312 8.515 1.00 0.00 H new ATOM 0 HG3 GLN A 974 14.291 -0.038 7.764 1.00 0.00 H new ATOM 0 HE21 GLN A 974 13.271 2.555 8.778 1.00 0.00 H new ATOM 0 HE22 GLN A 974 12.014 2.148 9.951 1.00 0.00 H new ATOM 983 N ALA A 975 17.801 -2.949 9.417 1.00 0.00 N ATOM 984 CA ALA A 975 18.747 -3.749 10.179 1.00 0.00 C ATOM 985 C ALA A 975 20.119 -3.732 9.518 1.00 0.00 C ATOM 986 O ALA A 975 21.148 -3.624 10.189 1.00 0.00 O ATOM 987 CB ALA A 975 18.245 -5.180 10.321 1.00 0.00 C ATOM 0 H ALA A 975 17.146 -3.492 8.854 1.00 0.00 H new ATOM 0 HA ALA A 975 18.838 -3.314 11.174 1.00 0.00 H new ATOM 0 HB1 ALA A 975 18.966 -5.763 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 975 17.286 -5.179 10.838 1.00 0.00 H new ATOM 0 HB3 ALA A 975 18.124 -5.623 9.332 1.00 0.00 H new ATOM 993 N GLN A 976 20.127 -3.825 8.194 1.00 0.00 N ATOM 994 CA GLN A 976 21.369 -3.830 7.436 1.00 0.00 C ATOM 995 C GLN A 976 21.285 -2.887 6.241 1.00 0.00 C ATOM 996 O GLN A 976 20.777 -3.254 5.182 1.00 0.00 O ATOM 997 CB GLN A 976 21.706 -5.247 6.970 1.00 0.00 C ATOM 998 CG GLN A 976 22.213 -6.148 8.080 1.00 0.00 C ATOM 999 CD GLN A 976 22.418 -7.575 7.621 1.00 0.00 C ATOM 1000 OE1 GLN A 976 21.524 -8.415 7.740 1.00 0.00 O ATOM 1001 NE2 GLN A 976 23.589 -7.853 7.073 1.00 0.00 N ATOM 0 H GLN A 976 19.285 -3.898 7.623 1.00 0.00 H new ATOM 0 HA GLN A 976 22.165 -3.478 8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 976 20.817 -5.696 6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 976 22.460 -5.192 6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 976 23.155 -5.754 8.462 1.00 0.00 H new ATOM 0 HG3 GLN A 976 21.503 -6.134 8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 976 24.301 -7.127 6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 976 23.780 -8.794 6.729 1.00 0.00 H new ATOM 1010 N PRO A 977 21.776 -1.647 6.411 1.00 0.00 N ATOM 1011 CA PRO A 977 21.797 -0.647 5.338 1.00 0.00 C ATOM 1012 C PRO A 977 22.788 -1.008 4.234 1.00 0.00 C ATOM 1013 O PRO A 977 22.760 -0.437 3.145 1.00 0.00 O ATOM 1014 CB PRO A 977 22.232 0.636 6.047 1.00 0.00 C ATOM 1015 CG PRO A 977 22.975 0.174 7.253 1.00 0.00 C ATOM 1016 CD PRO A 977 22.329 -1.116 7.671 1.00 0.00 C ATOM 0 HA PRO A 977 20.830 -0.564 4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 977 22.864 1.248 5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 977 21.372 1.246 6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 977 24.031 0.026 7.027 1.00 0.00 H new ATOM 0 HG3 PRO A 977 22.921 0.914 8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 977 23.051 -1.802 8.113 1.00 0.00 H new ATOM 0 HD3 PRO A 977 21.549 -0.952 8.414 1.00 0.00 H new ATOM 1024 N ASP A 978 23.664 -1.962 4.526 1.00 0.00 N ATOM 1025 CA ASP A 978 24.622 -2.453 3.551 1.00 0.00 C ATOM 1026 C ASP A 978 24.411 -3.943 3.343 1.00 0.00 C ATOM 1027 O ASP A 978 25.154 -4.775 3.862 1.00 0.00 O ATOM 1028 CB ASP A 978 26.062 -2.173 3.995 1.00 0.00 C ATOM 1029 CG ASP A 978 27.080 -2.551 2.931 1.00 0.00 C ATOM 1030 OD1 ASP A 978 27.263 -1.780 1.959 1.00 0.00 O ATOM 1031 OD2 ASP A 978 27.698 -3.629 3.058 1.00 0.00 O ATOM 0 H ASP A 978 23.728 -2.412 5.439 1.00 0.00 H new ATOM 0 HA ASP A 978 24.461 -1.928 2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 978 26.166 -1.115 4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 978 26.272 -2.729 4.909 1.00 0.00 H new ATOM 1036 N SER A 979 23.353 -4.270 2.628 1.00 0.00 N ATOM 1037 CA SER A 979 23.012 -5.650 2.345 1.00 0.00 C ATOM 1038 C SER A 979 22.098 -5.731 1.131 1.00 0.00 C ATOM 1039 O SER A 979 20.930 -5.337 1.196 1.00 0.00 O ATOM 1040 CB SER A 979 22.331 -6.295 3.559 1.00 0.00 C ATOM 1041 OG SER A 979 21.893 -7.613 3.269 1.00 0.00 O ATOM 0 H SER A 979 22.707 -3.589 2.228 1.00 0.00 H new ATOM 0 HA SER A 979 23.932 -6.194 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 979 23.026 -6.318 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 979 21.480 -5.687 3.866 1.00 0.00 H new ATOM 0 HG SER A 979 21.465 -7.997 4.062 1.00 0.00 H new ATOM 1047 N PRO A 980 22.621 -6.226 0.001 1.00 0.00 N ATOM 1048 CA PRO A 980 21.827 -6.433 -1.209 1.00 0.00 C ATOM 1049 C PRO A 980 20.649 -7.364 -0.944 1.00 0.00 C ATOM 1050 O PRO A 980 19.557 -7.174 -1.479 1.00 0.00 O ATOM 1051 CB PRO A 980 22.814 -7.078 -2.188 1.00 0.00 C ATOM 1052 CG PRO A 980 24.162 -6.694 -1.685 1.00 0.00 C ATOM 1053 CD PRO A 980 24.032 -6.601 -0.192 1.00 0.00 C ATOM 0 HA PRO A 980 21.395 -5.506 -1.587 1.00 0.00 H new ATOM 0 HB2 PRO A 980 22.695 -8.161 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 980 22.654 -6.718 -3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 980 24.910 -7.435 -1.967 1.00 0.00 H new ATOM 0 HG3 PRO A 980 24.481 -5.742 -2.110 1.00 0.00 H new ATOM 0 HD2 PRO A 980 24.266 -7.549 0.292 1.00 0.00 H new ATOM 0 HD3 PRO A 980 24.708 -5.854 0.225 1.00 0.00 H new ATOM 1061 N SER A 981 20.875 -8.349 -0.082 1.00 0.00 N ATOM 1062 CA SER A 981 19.845 -9.308 0.281 1.00 0.00 C ATOM 1063 C SER A 981 18.688 -8.604 0.985 1.00 0.00 C ATOM 1064 O SER A 981 17.519 -8.857 0.681 1.00 0.00 O ATOM 1065 CB SER A 981 20.437 -10.396 1.180 1.00 0.00 C ATOM 1066 OG SER A 981 19.495 -11.422 1.445 1.00 0.00 O ATOM 0 H SER A 981 21.771 -8.503 0.380 1.00 0.00 H new ATOM 0 HA SER A 981 19.462 -9.774 -0.627 1.00 0.00 H new ATOM 0 HB2 SER A 981 21.318 -10.824 0.702 1.00 0.00 H new ATOM 0 HB3 SER A 981 20.768 -9.953 2.119 1.00 0.00 H new ATOM 0 HG SER A 981 19.905 -12.102 2.020 1.00 0.00 H new ATOM 1072 N ALA A 982 19.018 -7.713 1.912 1.00 0.00 N ATOM 1073 CA ALA A 982 18.007 -6.963 2.646 1.00 0.00 C ATOM 1074 C ALA A 982 17.229 -6.043 1.711 1.00 0.00 C ATOM 1075 O ALA A 982 16.009 -5.915 1.825 1.00 0.00 O ATOM 1076 CB ALA A 982 18.652 -6.159 3.763 1.00 0.00 C ATOM 0 H ALA A 982 19.979 -7.492 2.173 1.00 0.00 H new ATOM 0 HA ALA A 982 17.307 -7.674 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 982 17.884 -5.604 4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 982 19.161 -6.835 4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 982 19.374 -5.461 3.339 1.00 0.00 H new ATOM 1082 N GLN A 983 17.939 -5.418 0.778 1.00 0.00 N ATOM 1083 CA GLN A 983 17.308 -4.498 -0.160 1.00 0.00 C ATOM 1084 C GLN A 983 16.346 -5.233 -1.081 1.00 0.00 C ATOM 1085 O GLN A 983 15.194 -4.831 -1.228 1.00 0.00 O ATOM 1086 CB GLN A 983 18.346 -3.755 -0.999 1.00 0.00 C ATOM 1087 CG GLN A 983 19.371 -2.985 -0.183 1.00 0.00 C ATOM 1088 CD GLN A 983 18.775 -2.245 1.005 1.00 0.00 C ATOM 1089 OE1 GLN A 983 17.614 -1.834 0.988 1.00 0.00 O ATOM 1090 NE2 GLN A 983 19.572 -2.071 2.047 1.00 0.00 N ATOM 0 H GLN A 983 18.945 -5.531 0.652 1.00 0.00 H new ATOM 0 HA GLN A 983 16.752 -3.771 0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 983 18.867 -4.474 -1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 983 17.831 -3.061 -1.663 1.00 0.00 H new ATOM 0 HG2 GLN A 983 20.132 -3.678 0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 983 19.874 -2.268 -0.831 1.00 0.00 H new ATOM 0 HE21 GLN A 983 20.528 -2.426 2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 983 19.230 -1.582 2.874 1.00 0.00 H new ATOM 1099 N LEU A 984 16.815 -6.323 -1.685 1.00 0.00 N ATOM 1100 CA LEU A 984 16.003 -7.088 -2.630 1.00 0.00 C ATOM 1101 C LEU A 984 14.738 -7.630 -1.976 1.00 0.00 C ATOM 1102 O LEU A 984 13.742 -7.883 -2.654 1.00 0.00 O ATOM 1103 CB LEU A 984 16.814 -8.236 -3.239 1.00 0.00 C ATOM 1104 CG LEU A 984 17.512 -7.912 -4.566 1.00 0.00 C ATOM 1105 CD1 LEU A 984 16.486 -7.607 -5.643 1.00 0.00 C ATOM 1106 CD2 LEU A 984 18.473 -6.743 -4.409 1.00 0.00 C ATOM 0 H LEU A 984 17.753 -6.696 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 984 15.704 -6.405 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 984 17.568 -8.549 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 984 16.150 -9.086 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 984 18.088 -8.787 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 984 16.997 -7.379 -6.578 1.00 0.00 H new ATOM 0 HD12 LEU A 984 15.839 -8.473 -5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 984 15.884 -6.750 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 984 18.953 -6.536 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 984 17.923 -5.861 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 984 19.232 -6.993 -3.668 1.00 0.00 H new ATOM 1118 N ALA A 985 14.776 -7.806 -0.663 1.00 0.00 N ATOM 1119 CA ALA A 985 13.596 -8.229 0.076 1.00 0.00 C ATOM 1120 C ALA A 985 12.556 -7.115 0.087 1.00 0.00 C ATOM 1121 O ALA A 985 11.376 -7.350 -0.178 1.00 0.00 O ATOM 1122 CB ALA A 985 13.968 -8.628 1.496 1.00 0.00 C ATOM 0 H ALA A 985 15.608 -7.663 -0.090 1.00 0.00 H new ATOM 0 HA ALA A 985 13.168 -9.100 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 985 13.072 -8.941 2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 985 14.681 -9.452 1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 985 14.418 -7.777 2.007 1.00 0.00 H new ATOM 1128 N LEU A 986 13.013 -5.898 0.367 1.00 0.00 N ATOM 1129 CA LEU A 986 12.142 -4.730 0.411 1.00 0.00 C ATOM 1130 C LEU A 986 11.659 -4.391 -1.000 1.00 0.00 C ATOM 1131 O LEU A 986 10.468 -4.167 -1.223 1.00 0.00 O ATOM 1132 CB LEU A 986 12.899 -3.537 1.019 1.00 0.00 C ATOM 1133 CG LEU A 986 12.046 -2.483 1.748 1.00 0.00 C ATOM 1134 CD1 LEU A 986 12.942 -1.440 2.395 1.00 0.00 C ATOM 1135 CD2 LEU A 986 11.064 -1.809 0.804 1.00 0.00 C ATOM 0 H LEU A 986 13.992 -5.695 0.569 1.00 0.00 H new ATOM 0 HA LEU A 986 11.276 -4.949 1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 986 13.638 -3.923 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 986 13.449 -3.039 0.220 1.00 0.00 H new ATOM 0 HG LEU A 986 11.472 -2.996 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 986 12.327 -0.700 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 986 13.603 -1.924 3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 986 13.539 -0.947 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 986 10.479 -1.071 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 986 11.612 -1.314 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 986 10.396 -2.558 0.378 1.00 0.00 H new ATOM 1147 N ILE A 987 12.593 -4.371 -1.948 1.00 0.00 N ATOM 1148 CA ILE A 987 12.282 -4.049 -3.340 1.00 0.00 C ATOM 1149 C ILE A 987 11.206 -4.987 -3.890 1.00 0.00 C ATOM 1150 O ILE A 987 10.242 -4.542 -4.515 1.00 0.00 O ATOM 1151 CB ILE A 987 13.548 -4.122 -4.229 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.625 -3.168 -3.698 1.00 0.00 C ATOM 1153 CG2 ILE A 987 13.208 -3.782 -5.675 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.964 -3.297 -4.395 1.00 0.00 C ATOM 0 H ILE A 987 13.578 -4.575 -1.777 1.00 0.00 H new ATOM 0 HA ILE A 987 11.903 -3.027 -3.361 1.00 0.00 H new ATOM 0 HB ILE A 987 13.934 -5.141 -4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 987 14.270 -2.143 -3.803 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.763 -3.350 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 987 14.110 -3.839 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 987 12.471 -4.491 -6.052 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.799 -2.773 -5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.670 -2.589 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 987 16.344 -4.311 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.843 -3.084 -5.457 1.00 0.00 H new ATOM 1166 N ALA A 988 11.364 -6.282 -3.632 1.00 0.00 N ATOM 1167 CA ALA A 988 10.397 -7.274 -4.087 1.00 0.00 C ATOM 1168 C ALA A 988 9.068 -7.115 -3.358 1.00 0.00 C ATOM 1169 O ALA A 988 8.003 -7.195 -3.971 1.00 0.00 O ATOM 1170 CB ALA A 988 10.942 -8.681 -3.894 1.00 0.00 C ATOM 0 H ALA A 988 12.151 -6.668 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 988 10.224 -7.111 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 988 10.206 -9.407 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 988 11.862 -8.797 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 988 11.149 -8.849 -2.837 1.00 0.00 H new ATOM 1176 N ALA A 989 9.136 -6.877 -2.051 1.00 0.00 N ATOM 1177 CA ALA A 989 7.936 -6.697 -1.239 1.00 0.00 C ATOM 1178 C ALA A 989 7.124 -5.507 -1.730 1.00 0.00 C ATOM 1179 O ALA A 989 5.895 -5.553 -1.764 1.00 0.00 O ATOM 1180 CB ALA A 989 8.306 -6.518 0.227 1.00 0.00 C ATOM 0 H ALA A 989 10.010 -6.804 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 989 7.323 -7.593 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 989 7.399 -6.385 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 989 8.841 -7.400 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 989 8.943 -5.640 0.337 1.00 0.00 H new ATOM 1186 N SER A 990 7.822 -4.449 -2.124 1.00 0.00 N ATOM 1187 CA SER A 990 7.178 -3.253 -2.645 1.00 0.00 C ATOM 1188 C SER A 990 6.364 -3.580 -3.896 1.00 0.00 C ATOM 1189 O SER A 990 5.182 -3.255 -3.980 1.00 0.00 O ATOM 1190 CB SER A 990 8.232 -2.192 -2.963 1.00 0.00 C ATOM 1191 OG SER A 990 9.018 -1.897 -1.821 1.00 0.00 O ATOM 0 H SER A 990 8.840 -4.397 -2.092 1.00 0.00 H new ATOM 0 HA SER A 990 6.498 -2.865 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 990 8.875 -2.544 -3.770 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.744 -1.284 -3.317 1.00 0.00 H new ATOM 0 HG SER A 990 9.662 -2.621 -1.671 1.00 0.00 H new ATOM 1197 N GLN A 991 6.998 -4.252 -4.853 1.00 0.00 N ATOM 1198 CA GLN A 991 6.338 -4.610 -6.106 1.00 0.00 C ATOM 1199 C GLN A 991 5.196 -5.589 -5.854 1.00 0.00 C ATOM 1200 O GLN A 991 4.152 -5.527 -6.507 1.00 0.00 O ATOM 1201 CB GLN A 991 7.343 -5.226 -7.081 1.00 0.00 C ATOM 1202 CG GLN A 991 8.563 -4.359 -7.331 1.00 0.00 C ATOM 1203 CD GLN A 991 9.535 -4.992 -8.305 1.00 0.00 C ATOM 1204 OE1 GLN A 991 9.136 -5.709 -9.224 1.00 0.00 O ATOM 1205 NE2 GLN A 991 10.818 -4.751 -8.099 1.00 0.00 N ATOM 0 H GLN A 991 7.968 -4.560 -4.785 1.00 0.00 H new ATOM 0 HA GLN A 991 5.928 -3.700 -6.545 1.00 0.00 H new ATOM 0 HB2 GLN A 991 7.668 -6.191 -6.692 1.00 0.00 H new ATOM 0 HB3 GLN A 991 6.844 -5.417 -8.031 1.00 0.00 H new ATOM 0 HG2 GLN A 991 8.244 -3.391 -7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 991 9.072 -4.172 -6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 991 11.107 -4.151 -7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 991 11.520 -5.165 -8.713 1.00 0.00 H new ATOM 1214 N SER A 992 5.399 -6.481 -4.894 1.00 0.00 N ATOM 1215 CA SER A 992 4.406 -7.469 -4.534 1.00 0.00 C ATOM 1216 C SER A 992 3.213 -6.826 -3.834 1.00 0.00 C ATOM 1217 O SER A 992 2.141 -7.419 -3.750 1.00 0.00 O ATOM 1218 CB SER A 992 5.052 -8.512 -3.631 1.00 0.00 C ATOM 1219 OG SER A 992 6.137 -9.149 -4.287 1.00 0.00 O ATOM 0 H SER A 992 6.258 -6.535 -4.347 1.00 0.00 H new ATOM 0 HA SER A 992 4.034 -7.944 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 992 5.404 -8.038 -2.715 1.00 0.00 H new ATOM 0 HB3 SER A 992 4.311 -9.256 -3.340 1.00 0.00 H new ATOM 0 HG SER A 992 6.921 -8.562 -4.267 1.00 0.00 H new ATOM 1225 N PHE A 993 3.409 -5.615 -3.330 1.00 0.00 N ATOM 1226 CA PHE A 993 2.344 -4.885 -2.661 1.00 0.00 C ATOM 1227 C PHE A 993 1.619 -3.970 -3.643 1.00 0.00 C ATOM 1228 O PHE A 993 0.419 -3.735 -3.516 1.00 0.00 O ATOM 1229 CB PHE A 993 2.918 -4.068 -1.501 1.00 0.00 C ATOM 1230 CG PHE A 993 1.883 -3.309 -0.726 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.064 -3.960 0.183 1.00 0.00 C ATOM 1232 CD2 PHE A 993 1.730 -1.946 -0.901 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.115 -3.263 0.901 1.00 0.00 C ATOM 1234 CE2 PHE A 993 0.782 -1.244 -0.188 1.00 0.00 C ATOM 1235 CZ PHE A 993 -0.039 -1.910 0.703 1.00 0.00 C ATOM 0 H PHE A 993 4.298 -5.118 -3.373 1.00 0.00 H new ATOM 0 HA PHE A 993 1.625 -5.603 -2.268 1.00 0.00 H new ATOM 0 HB2 PHE A 993 3.447 -4.738 -0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.653 -3.365 -1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.170 -5.025 0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.361 -1.425 -1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 993 -0.507 -3.779 1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.681 -0.177 -0.325 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.801 -1.368 1.244 1.00 0.00 H new ATOM 1245 N LEU A 994 2.357 -3.465 -4.625 1.00 0.00 N ATOM 1246 CA LEU A 994 1.802 -2.573 -5.642 1.00 0.00 C ATOM 1247 C LEU A 994 0.626 -3.218 -6.370 1.00 0.00 C ATOM 1248 O LEU A 994 -0.403 -2.578 -6.593 1.00 0.00 O ATOM 1249 CB LEU A 994 2.880 -2.203 -6.663 1.00 0.00 C ATOM 1250 CG LEU A 994 4.064 -1.409 -6.116 1.00 0.00 C ATOM 1251 CD1 LEU A 994 5.167 -1.333 -7.156 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.626 -0.013 -5.702 1.00 0.00 C ATOM 0 H LEU A 994 3.352 -3.660 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 994 1.447 -1.677 -5.133 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.258 -3.121 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.415 -1.624 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 994 4.449 -1.921 -5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 994 6.006 -0.765 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.499 -2.340 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.789 -0.840 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.483 0.537 -5.315 1.00 0.00 H new ATOM 0 HD22 LEU A 994 3.218 0.512 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.862 -0.086 -4.928 1.00 0.00 H new ATOM 1264 N GLN A 995 0.790 -4.487 -6.726 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.214 -5.208 -7.504 1.00 0.00 C ATOM 1266 C GLN A 995 -1.570 -5.280 -6.772 1.00 0.00 C ATOM 1267 O GLN A 995 -2.566 -4.768 -7.284 1.00 0.00 O ATOM 1268 CB GLN A 995 0.297 -6.611 -7.863 1.00 0.00 C ATOM 1269 CG GLN A 995 -0.595 -7.363 -8.837 1.00 0.00 C ATOM 1270 CD GLN A 995 -0.755 -6.637 -10.160 1.00 0.00 C ATOM 1271 OE1 GLN A 995 0.137 -5.905 -10.596 1.00 0.00 O ATOM 1272 NE2 GLN A 995 -1.881 -6.854 -10.819 1.00 0.00 N ATOM 0 H GLN A 995 1.612 -5.041 -6.487 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.382 -4.652 -8.426 1.00 0.00 H new ATOM 0 HB2 GLN A 995 1.295 -6.524 -8.293 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.394 -7.196 -6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 995 -0.176 -8.353 -9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -1.576 -7.510 -8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 995 -2.594 -7.467 -10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 995 -2.037 -6.409 -11.723 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.648 -5.897 -5.567 1.00 0.00 N ATOM 1282 CA PRO A 996 -2.914 -5.995 -4.834 1.00 0.00 C ATOM 1283 C PRO A 996 -3.338 -4.659 -4.230 1.00 0.00 C ATOM 1284 O PRO A 996 -4.531 -4.381 -4.088 1.00 0.00 O ATOM 1285 CB PRO A 996 -2.614 -7.014 -3.732 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.149 -6.902 -3.503 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.542 -6.544 -4.833 1.00 0.00 C ATOM 0 HA PRO A 996 -3.739 -6.287 -5.484 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -3.175 -6.792 -2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -2.891 -8.023 -4.039 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -0.929 -6.139 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -0.741 -7.841 -3.129 1.00 0.00 H new ATOM 0 HD2 PRO A 996 0.307 -5.871 -4.716 1.00 0.00 H new ATOM 0 HD3 PRO A 996 -0.178 -7.428 -5.357 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.354 -3.832 -3.888 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.637 -2.532 -3.315 1.00 0.00 C ATOM 1297 C GLY A 997 -3.358 -1.635 -4.294 1.00 0.00 C ATOM 1298 O GLY A 997 -4.345 -0.987 -3.940 1.00 0.00 O ATOM 0 H GLY A 997 -1.362 -4.042 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.244 -2.654 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.704 -2.059 -3.007 1.00 0.00 H new ATOM 1302 N GLY A 998 -2.875 -1.613 -5.532 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.510 -0.823 -6.569 1.00 0.00 C ATOM 1304 C GLY A 998 -4.941 -1.255 -6.809 1.00 0.00 C ATOM 1305 O GLY A 998 -5.810 -0.425 -7.089 1.00 0.00 O ATOM 0 H GLY A 998 -2.051 -2.131 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.491 0.230 -6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -2.942 -0.915 -7.495 1.00 0.00 H new ATOM 1309 N LYS A 999 -5.186 -2.554 -6.678 1.00 0.00 N ATOM 1310 CA LYS A 999 -6.524 -3.104 -6.842 1.00 0.00 C ATOM 1311 C LYS A 999 -7.467 -2.551 -5.784 1.00 0.00 C ATOM 1312 O LYS A 999 -8.610 -2.211 -6.081 1.00 0.00 O ATOM 1313 CB LYS A 999 -6.503 -4.631 -6.759 1.00 0.00 C ATOM 1314 CG LYS A 999 -5.689 -5.296 -7.851 1.00 0.00 C ATOM 1315 CD LYS A 999 -5.752 -6.809 -7.741 1.00 0.00 C ATOM 1316 CE LYS A 999 -4.908 -7.477 -8.810 1.00 0.00 C ATOM 1317 NZ LYS A 999 -4.979 -8.957 -8.723 1.00 0.00 N ATOM 0 H LYS A 999 -4.471 -3.247 -6.458 1.00 0.00 H new ATOM 0 HA LYS A 999 -6.882 -2.810 -7.829 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -6.102 -4.927 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -7.527 -5.001 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -6.062 -4.984 -8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -4.652 -4.967 -7.786 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -5.405 -7.118 -6.755 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -6.787 -7.139 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -5.246 -7.154 -9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -3.871 -7.156 -8.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -4.389 -9.377 -9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -4.633 -9.267 -7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -5.965 -9.265 -8.846 1.00 0.00 H new ATOM 1331 N MET A1000 -6.984 -2.448 -4.550 1.00 0.00 N ATOM 1332 CA MET A1000 -7.821 -1.974 -3.460 1.00 0.00 C ATOM 1333 C MET A1000 -8.066 -0.481 -3.603 1.00 0.00 C ATOM 1334 O MET A1000 -9.136 0.010 -3.257 1.00 0.00 O ATOM 1335 CB MET A1000 -7.197 -2.290 -2.099 1.00 0.00 C ATOM 1336 CG MET A1000 -8.178 -2.137 -0.944 1.00 0.00 C ATOM 1337 SD MET A1000 -7.512 -2.717 0.628 1.00 0.00 S ATOM 1338 CE MET A1000 -6.196 -1.538 0.895 1.00 0.00 C ATOM 0 H MET A1000 -6.028 -2.684 -4.284 1.00 0.00 H new ATOM 0 HA MET A1000 -8.776 -2.497 -3.513 1.00 0.00 H new ATOM 0 HB2 MET A1000 -6.813 -3.310 -2.110 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.345 -1.631 -1.934 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.458 -1.088 -0.849 1.00 0.00 H new ATOM 0 HG3 MET A1000 -9.089 -2.690 -1.173 1.00 0.00 H new ATOM 0 HE1 MET A1000 -5.962 -1.489 1.958 1.00 0.00 H new ATOM 0 HE2 MET A1000 -5.310 -1.850 0.343 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.512 -0.555 0.547 1.00 0.00 H new ATOM 1348 N VAL A1001 -7.074 0.234 -4.127 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.235 1.653 -4.430 1.00 0.00 C ATOM 1350 C VAL A1001 -8.375 1.849 -5.424 1.00 0.00 C ATOM 1351 O VAL A1001 -9.278 2.659 -5.203 1.00 0.00 O ATOM 1352 CB VAL A1001 -5.939 2.264 -5.014 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -6.148 3.719 -5.406 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -4.794 2.147 -4.021 1.00 0.00 C ATOM 0 H VAL A1001 -6.153 -0.144 -4.350 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.463 2.164 -3.494 1.00 0.00 H new ATOM 0 HB VAL A1001 -5.682 1.701 -5.911 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -5.221 4.123 -5.813 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -6.934 3.784 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.439 4.294 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -3.893 2.583 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -5.051 2.678 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.616 1.096 -3.793 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.338 1.077 -6.504 1.00 0.00 N ATOM 1365 CA ALA A1002 -9.354 1.155 -7.543 1.00 0.00 C ATOM 1366 C ALA A1002 -10.714 0.723 -7.009 1.00 0.00 C ATOM 1367 O ALA A1002 -11.734 1.351 -7.299 1.00 0.00 O ATOM 1368 CB ALA A1002 -8.955 0.298 -8.734 1.00 0.00 C ATOM 0 H ALA A1002 -7.609 0.386 -6.682 1.00 0.00 H new ATOM 0 HA ALA A1002 -9.432 2.193 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -9.723 0.365 -9.504 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -8.006 0.653 -9.136 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -8.849 -0.739 -8.417 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.718 -0.347 -6.226 1.00 0.00 N ATOM 1375 CA ALA A1003 -11.946 -0.872 -5.644 1.00 0.00 C ATOM 1376 C ALA A1003 -12.558 0.119 -4.658 1.00 0.00 C ATOM 1377 O ALA A1003 -13.757 0.390 -4.703 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.674 -2.206 -4.959 1.00 0.00 C ATOM 0 H ALA A1003 -9.879 -0.871 -5.978 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.664 -1.028 -6.449 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.599 -2.589 -4.528 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -11.292 -2.919 -5.690 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -10.936 -2.066 -4.169 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.725 0.668 -3.781 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.188 1.598 -2.757 1.00 0.00 C ATOM 1386 C ALA A1004 -12.812 2.842 -3.377 1.00 0.00 C ATOM 1387 O ALA A1004 -13.924 3.231 -3.017 1.00 0.00 O ATOM 1388 CB ALA A1004 -11.043 1.984 -1.832 1.00 0.00 C ATOM 0 H ALA A1004 -10.722 0.484 -3.759 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.958 1.094 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.406 2.678 -1.074 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.650 1.090 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.252 2.460 -2.411 1.00 0.00 H new ATOM 1394 N LYS A1005 -12.110 3.449 -4.330 1.00 0.00 N ATOM 1395 CA LYS A1005 -12.589 4.668 -4.974 1.00 0.00 C ATOM 1396 C LYS A1005 -13.865 4.413 -5.763 1.00 0.00 C ATOM 1397 O LYS A1005 -14.704 5.302 -5.915 1.00 0.00 O ATOM 1398 CB LYS A1005 -11.519 5.241 -5.898 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.283 5.717 -5.157 1.00 0.00 C ATOM 1400 CD LYS A1005 -9.313 6.428 -6.083 1.00 0.00 C ATOM 1401 CE LYS A1005 -8.074 6.889 -5.334 1.00 0.00 C ATOM 1402 NZ LYS A1005 -7.144 7.639 -6.212 1.00 0.00 N ATOM 0 H LYS A1005 -11.209 3.117 -4.673 1.00 0.00 H new ATOM 0 HA LYS A1005 -12.809 5.390 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -11.230 4.481 -6.624 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -11.941 6.074 -6.460 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -10.578 6.390 -4.352 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -9.786 4.865 -4.694 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -9.023 5.759 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -9.805 7.287 -6.540 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -8.370 7.520 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -7.560 6.024 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -6.312 7.936 -5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -6.841 7.029 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -7.626 8.479 -6.591 1.00 0.00 H new ATOM 1416 N ALA A1006 -14.014 3.195 -6.249 1.00 0.00 N ATOM 1417 CA ALA A1006 -15.181 2.824 -7.028 1.00 0.00 C ATOM 1418 C ALA A1006 -16.367 2.515 -6.119 1.00 0.00 C ATOM 1419 O ALA A1006 -17.510 2.468 -6.567 1.00 0.00 O ATOM 1420 CB ALA A1006 -14.854 1.636 -7.913 1.00 0.00 C ATOM 0 H ALA A1006 -13.338 2.442 -6.117 1.00 0.00 H new ATOM 0 HA ALA A1006 -15.461 3.666 -7.661 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -15.734 1.363 -8.495 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -14.040 1.899 -8.588 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -14.553 0.792 -7.292 1.00 0.00 H new ATOM 1426 N SER A1007 -16.085 2.325 -4.838 1.00 0.00 N ATOM 1427 CA SER A1007 -17.126 2.039 -3.865 1.00 0.00 C ATOM 1428 C SER A1007 -17.641 3.329 -3.232 1.00 0.00 C ATOM 1429 O SER A1007 -18.753 3.376 -2.710 1.00 0.00 O ATOM 1430 CB SER A1007 -16.586 1.102 -2.787 1.00 0.00 C ATOM 1431 OG SER A1007 -16.013 -0.055 -3.371 1.00 0.00 O ATOM 0 H SER A1007 -15.143 2.364 -4.449 1.00 0.00 H new ATOM 0 HA SER A1007 -17.957 1.553 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A1007 -15.838 1.621 -2.188 1.00 0.00 H new ATOM 0 HB3 SER A1007 -17.392 0.814 -2.112 1.00 0.00 H new ATOM 0 HG SER A1007 -15.055 0.092 -3.515 1.00 0.00 H new ATOM 1437 N VAL A1008 -16.828 4.378 -3.304 1.00 0.00 N ATOM 1438 CA VAL A1008 -17.183 5.681 -2.737 1.00 0.00 C ATOM 1439 C VAL A1008 -18.535 6.206 -3.263 1.00 0.00 C ATOM 1440 O VAL A1008 -19.384 6.612 -2.469 1.00 0.00 O ATOM 1441 CB VAL A1008 -16.078 6.730 -3.008 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -16.419 8.063 -2.362 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -14.728 6.235 -2.512 1.00 0.00 C ATOM 0 H VAL A1008 -15.912 4.354 -3.752 1.00 0.00 H new ATOM 0 HA VAL A1008 -17.278 5.528 -1.662 1.00 0.00 H new ATOM 0 HB VAL A1008 -16.019 6.877 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -15.625 8.781 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -17.359 8.435 -2.769 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -16.517 7.931 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -13.967 6.989 -2.714 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -14.780 6.050 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.468 5.311 -3.027 1.00 0.00 H new ATOM 1453 N PRO A1009 -18.773 6.207 -4.597 1.00 0.00 N ATOM 1454 CA PRO A1009 -20.034 6.716 -5.162 1.00 0.00 C ATOM 1455 C PRO A1009 -21.231 5.811 -4.876 1.00 0.00 C ATOM 1456 O PRO A1009 -22.379 6.225 -5.025 1.00 0.00 O ATOM 1457 CB PRO A1009 -19.760 6.765 -6.665 1.00 0.00 C ATOM 1458 CG PRO A1009 -18.707 5.741 -6.890 1.00 0.00 C ATOM 1459 CD PRO A1009 -17.851 5.752 -5.657 1.00 0.00 C ATOM 0 HA PRO A1009 -20.302 7.678 -4.724 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -20.659 6.541 -7.239 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -19.423 7.754 -6.974 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -19.147 4.757 -7.051 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -18.118 5.975 -7.777 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -17.448 4.763 -5.440 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -17.001 6.426 -5.765 1.00 0.00 H new ATOM 1467 N THR A1010 -20.967 4.579 -4.463 1.00 0.00 N ATOM 1468 CA THR A1010 -22.037 3.632 -4.195 1.00 0.00 C ATOM 1469 C THR A1010 -22.414 3.632 -2.718 1.00 0.00 C ATOM 1470 O THR A1010 -23.202 2.800 -2.265 1.00 0.00 O ATOM 1471 CB THR A1010 -21.654 2.206 -4.644 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.394 1.822 -4.077 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.570 2.127 -6.159 1.00 0.00 C ATOM 0 H THR A1010 -20.027 4.215 -4.307 1.00 0.00 H new ATOM 0 HA THR A1010 -22.903 3.952 -4.775 1.00 0.00 H new ATOM 0 HB THR A1010 -22.428 1.524 -4.293 1.00 0.00 H new ATOM 0 HG1 THR A1010 -20.128 2.476 -3.397 1.00 0.00 H new ATOM 0 HG21 THR A1010 -21.299 1.114 -6.456 1.00 0.00 H new ATOM 0 HG22 THR A1010 -22.537 2.385 -6.591 1.00 0.00 H new ATOM 0 HG23 THR A1010 -20.814 2.825 -6.518 1.00 0.00 H new ATOM 1481 N ILE A1011 -21.849 4.570 -1.973 1.00 0.00 N ATOM 1482 CA ILE A1011 -22.172 4.721 -0.565 1.00 0.00 C ATOM 1483 C ILE A1011 -22.944 6.016 -0.348 1.00 0.00 C ATOM 1484 O ILE A1011 -22.521 7.083 -0.796 1.00 0.00 O ATOM 1485 CB ILE A1011 -20.904 4.725 0.315 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -20.078 3.463 0.061 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -21.277 4.824 1.787 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -18.739 3.466 0.763 1.00 0.00 C ATOM 0 H ILE A1011 -21.163 5.239 -2.322 1.00 0.00 H new ATOM 0 HA ILE A1011 -22.784 3.868 -0.272 1.00 0.00 H new ATOM 0 HB ILE A1011 -20.303 5.595 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -20.648 2.593 0.388 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -19.917 3.354 -1.011 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -20.371 4.825 2.393 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -21.831 5.746 1.961 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -21.897 3.971 2.063 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -18.208 2.541 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -18.150 4.316 0.419 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -18.893 3.543 1.839 1.00 0.00 H new ATOM 1500 N GLN A1012 -24.082 5.918 0.321 1.00 0.00 N ATOM 1501 CA GLN A1012 -24.914 7.083 0.585 1.00 0.00 C ATOM 1502 C GLN A1012 -24.455 7.791 1.855 1.00 0.00 C ATOM 1503 O GLN A1012 -24.759 8.964 2.071 1.00 0.00 O ATOM 1504 CB GLN A1012 -26.381 6.669 0.701 1.00 0.00 C ATOM 1505 CG GLN A1012 -26.916 5.997 -0.553 1.00 0.00 C ATOM 1506 CD GLN A1012 -28.376 5.599 -0.443 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -29.146 6.352 0.329 1.00 0.00 O flip ATOM 1508 NE2 GLN A1012 -28.809 4.621 -1.051 1.00 0.00 N flip ATOM 0 H GLN A1012 -24.452 5.043 0.692 1.00 0.00 H new ATOM 0 HA GLN A1012 -24.814 7.778 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -26.494 5.989 1.546 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -26.984 7.551 0.918 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -26.793 6.673 -1.400 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -26.319 5.110 -0.764 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -28.184 4.066 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -29.793 4.365 -0.970 1.00 0.00 H new ATOM 1517 N ASP A1013 -23.718 7.074 2.691 1.00 0.00 N ATOM 1518 CA ASP A1013 -23.178 7.656 3.912 1.00 0.00 C ATOM 1519 C ASP A1013 -21.924 8.460 3.602 1.00 0.00 C ATOM 1520 O ASP A1013 -20.923 7.914 3.129 1.00 0.00 O ATOM 1521 CB ASP A1013 -22.867 6.577 4.946 1.00 0.00 C ATOM 1522 CG ASP A1013 -22.258 7.159 6.206 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -22.985 7.827 6.970 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -21.050 6.957 6.434 1.00 0.00 O ATOM 0 H ASP A1013 -23.481 6.092 2.548 1.00 0.00 H new ATOM 0 HA ASP A1013 -23.933 8.321 4.331 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -23.783 6.042 5.199 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -22.181 5.848 4.515 1.00 0.00 H new ATOM 1529 N GLN A1014 -21.984 9.754 3.881 1.00 0.00 N ATOM 1530 CA GLN A1014 -20.905 10.674 3.538 1.00 0.00 C ATOM 1531 C GLN A1014 -19.620 10.330 4.283 1.00 0.00 C ATOM 1532 O GLN A1014 -18.524 10.443 3.730 1.00 0.00 O ATOM 1533 CB GLN A1014 -21.318 12.112 3.850 1.00 0.00 C ATOM 1534 CG GLN A1014 -22.566 12.559 3.107 1.00 0.00 C ATOM 1535 CD GLN A1014 -22.924 14.003 3.386 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -22.472 14.909 2.687 1.00 0.00 O ATOM 1537 NE2 GLN A1014 -23.736 14.228 4.406 1.00 0.00 N ATOM 0 H GLN A1014 -22.776 10.195 4.348 1.00 0.00 H new ATOM 0 HA GLN A1014 -20.713 10.577 2.470 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -21.489 12.208 4.922 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -20.495 12.781 3.597 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -22.413 12.427 2.036 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -23.402 11.920 3.391 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -24.088 13.447 4.960 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -24.010 15.183 4.639 1.00 0.00 H new ATOM 1546 N ALA A1015 -19.756 9.893 5.527 1.00 0.00 N ATOM 1547 CA ALA A1015 -18.601 9.577 6.354 1.00 0.00 C ATOM 1548 C ALA A1015 -17.849 8.366 5.811 1.00 0.00 C ATOM 1549 O ALA A1015 -16.618 8.330 5.820 1.00 0.00 O ATOM 1550 CB ALA A1015 -19.032 9.339 7.791 1.00 0.00 C ATOM 0 H ALA A1015 -20.656 9.749 5.986 1.00 0.00 H new ATOM 0 HA ALA A1015 -17.922 10.429 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -18.158 9.104 8.399 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -19.513 10.236 8.180 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -19.734 8.506 7.827 1.00 0.00 H new ATOM 1556 N SER A1016 -18.594 7.378 5.339 1.00 0.00 N ATOM 1557 CA SER A1016 -17.997 6.198 4.733 1.00 0.00 C ATOM 1558 C SER A1016 -17.338 6.557 3.405 1.00 0.00 C ATOM 1559 O SER A1016 -16.237 6.091 3.097 1.00 0.00 O ATOM 1560 CB SER A1016 -19.064 5.123 4.525 1.00 0.00 C ATOM 1561 OG SER A1016 -19.717 4.816 5.744 1.00 0.00 O ATOM 0 H SER A1016 -19.614 7.370 5.364 1.00 0.00 H new ATOM 0 HA SER A1016 -17.230 5.808 5.402 1.00 0.00 H new ATOM 0 HB2 SER A1016 -19.795 5.467 3.793 1.00 0.00 H new ATOM 0 HB3 SER A1016 -18.604 4.223 4.117 1.00 0.00 H new ATOM 0 HG SER A1016 -20.269 5.577 6.020 1.00 0.00 H new ATOM 1567 N ALA A1017 -18.008 7.409 2.634 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.497 7.845 1.341 1.00 0.00 C ATOM 1569 C ALA A1017 -16.183 8.605 1.496 1.00 0.00 C ATOM 1570 O ALA A1017 -15.203 8.324 0.798 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.531 8.705 0.630 1.00 0.00 C ATOM 0 H ALA A1017 -18.911 7.812 2.885 1.00 0.00 H new ATOM 0 HA ALA A1017 -17.301 6.959 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.137 9.024 -0.335 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.442 8.126 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -18.756 9.581 1.238 1.00 0.00 H new ATOM 1577 N MET A1018 -16.156 9.557 2.426 1.00 0.00 N ATOM 1578 CA MET A1018 -14.963 10.366 2.657 1.00 0.00 C ATOM 1579 C MET A1018 -13.828 9.504 3.201 1.00 0.00 C ATOM 1580 O MET A1018 -12.658 9.749 2.913 1.00 0.00 O ATOM 1581 CB MET A1018 -15.258 11.522 3.624 1.00 0.00 C ATOM 1582 CG MET A1018 -15.440 11.100 5.071 1.00 0.00 C ATOM 1583 SD MET A1018 -15.735 12.496 6.170 1.00 0.00 S ATOM 1584 CE MET A1018 -15.869 11.662 7.749 1.00 0.00 C ATOM 0 H MET A1018 -16.945 9.786 3.030 1.00 0.00 H new ATOM 0 HA MET A1018 -14.657 10.789 1.700 1.00 0.00 H new ATOM 0 HB2 MET A1018 -14.442 12.243 3.569 1.00 0.00 H new ATOM 0 HB3 MET A1018 -16.160 12.036 3.292 1.00 0.00 H new ATOM 0 HG2 MET A1018 -16.277 10.405 5.140 1.00 0.00 H new ATOM 0 HG3 MET A1018 -14.552 10.563 5.403 1.00 0.00 H new ATOM 0 HE1 MET A1018 -16.744 12.033 8.283 1.00 0.00 H new ATOM 0 HE2 MET A1018 -15.971 10.589 7.586 1.00 0.00 H new ATOM 0 HE3 MET A1018 -14.974 11.856 8.340 1.00 0.00 H new ATOM 1594 N GLN A1019 -14.188 8.481 3.970 1.00 0.00 N ATOM 1595 CA GLN A1019 -13.208 7.583 4.563 1.00 0.00 C ATOM 1596 C GLN A1019 -12.439 6.840 3.475 1.00 0.00 C ATOM 1597 O GLN A1019 -11.209 6.763 3.513 1.00 0.00 O ATOM 1598 CB GLN A1019 -13.904 6.593 5.503 1.00 0.00 C ATOM 1599 CG GLN A1019 -12.958 5.634 6.209 1.00 0.00 C ATOM 1600 CD GLN A1019 -11.957 6.333 7.115 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -10.834 5.862 7.286 1.00 0.00 O ATOM 1602 NE2 GLN A1019 -12.361 7.439 7.719 1.00 0.00 N ATOM 0 H GLN A1019 -15.156 8.254 4.197 1.00 0.00 H new ATOM 0 HA GLN A1019 -12.497 8.172 5.142 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -14.463 7.153 6.253 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -14.630 6.015 4.931 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -13.542 4.929 6.800 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -12.417 5.053 5.462 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -13.301 7.798 7.551 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -11.733 7.933 8.353 1.00 0.00 H new ATOM 1611 N LEU A1020 -13.168 6.310 2.499 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.549 5.592 1.392 1.00 0.00 C ATOM 1613 C LEU A1020 -11.747 6.529 0.504 1.00 0.00 C ATOM 1614 O LEU A1020 -10.604 6.233 0.156 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.606 4.867 0.558 1.00 0.00 C ATOM 1616 CG LEU A1020 -14.132 3.573 1.170 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -15.140 2.914 0.241 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -12.978 2.631 1.457 1.00 0.00 C ATOM 0 H LEU A1020 -14.185 6.364 2.452 1.00 0.00 H new ATOM 0 HA LEU A1020 -11.868 4.857 1.821 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -14.446 5.543 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -13.184 4.643 -0.422 1.00 0.00 H new ATOM 0 HG LEU A1020 -14.636 3.807 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -15.504 1.992 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -15.977 3.591 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -14.662 2.685 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -13.361 1.709 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -12.455 2.403 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -12.287 3.104 2.155 1.00 0.00 H new ATOM 1630 N SER A1021 -12.341 7.663 0.153 1.00 0.00 N ATOM 1631 CA SER A1021 -11.707 8.606 -0.757 1.00 0.00 C ATOM 1632 C SER A1021 -10.387 9.117 -0.174 1.00 0.00 C ATOM 1633 O SER A1021 -9.419 9.341 -0.903 1.00 0.00 O ATOM 1634 CB SER A1021 -12.656 9.771 -1.051 1.00 0.00 C ATOM 1635 OG SER A1021 -12.232 10.506 -2.187 1.00 0.00 O ATOM 0 H SER A1021 -13.261 7.951 0.485 1.00 0.00 H new ATOM 0 HA SER A1021 -11.485 8.092 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A1021 -13.663 9.389 -1.217 1.00 0.00 H new ATOM 0 HB3 SER A1021 -12.704 10.431 -0.185 1.00 0.00 H new ATOM 0 HG SER A1021 -12.857 11.242 -2.352 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.352 9.285 1.142 1.00 0.00 N ATOM 1642 CA GLN A1022 -9.140 9.711 1.827 1.00 0.00 C ATOM 1643 C GLN A1022 -8.065 8.627 1.753 1.00 0.00 C ATOM 1644 O GLN A1022 -6.989 8.843 1.192 1.00 0.00 O ATOM 1645 CB GLN A1022 -9.443 10.025 3.294 1.00 0.00 C ATOM 1646 CG GLN A1022 -8.231 10.505 4.077 1.00 0.00 C ATOM 1647 CD GLN A1022 -8.454 10.485 5.576 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -9.251 9.537 6.044 1.00 0.00 O flip ATOM 1649 NE2 GLN A1022 -7.904 11.308 6.309 1.00 0.00 N flip ATOM 0 H GLN A1022 -11.151 9.132 1.757 1.00 0.00 H new ATOM 0 HA GLN A1022 -8.771 10.609 1.331 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.220 10.788 3.341 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -9.844 9.132 3.773 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -7.375 9.876 3.833 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -7.981 11.519 3.765 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -7.297 12.023 5.908 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -8.056 11.275 7.317 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.387 7.459 2.296 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.419 6.380 2.446 1.00 0.00 C ATOM 1660 C CYS A1023 -6.900 5.890 1.098 1.00 0.00 C ATOM 1661 O CYS A1023 -5.693 5.781 0.899 1.00 0.00 O ATOM 1662 CB CYS A1023 -8.049 5.221 3.217 1.00 0.00 C ATOM 1663 SG CYS A1023 -8.739 5.700 4.817 1.00 0.00 S ATOM 0 H CYS A1023 -9.320 7.234 2.642 1.00 0.00 H new ATOM 0 HA CYS A1023 -6.568 6.772 3.003 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -8.838 4.779 2.609 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -7.296 4.449 3.373 1.00 0.00 H new ATOM 0 HG CYS A1023 -9.906 6.246 4.641 1.00 0.00 H new ATOM 1669 N ALA A1024 -7.810 5.627 0.167 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.436 5.086 -1.135 1.00 0.00 C ATOM 1671 C ALA A1024 -6.557 6.063 -1.906 1.00 0.00 C ATOM 1672 O ALA A1024 -5.686 5.657 -2.673 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.674 4.742 -1.941 1.00 0.00 C ATOM 0 H ALA A1024 -8.811 5.779 0.289 1.00 0.00 H new ATOM 0 HA ALA A1024 -6.861 4.175 -0.967 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.377 4.340 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.263 3.998 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.273 5.641 -2.089 1.00 0.00 H new ATOM 1679 N LYS A1025 -6.787 7.352 -1.697 1.00 0.00 N ATOM 1680 CA LYS A1025 -6.006 8.378 -2.368 1.00 0.00 C ATOM 1681 C LYS A1025 -4.609 8.456 -1.757 1.00 0.00 C ATOM 1682 O LYS A1025 -3.615 8.607 -2.466 1.00 0.00 O ATOM 1683 CB LYS A1025 -6.723 9.726 -2.275 1.00 0.00 C ATOM 1684 CG LYS A1025 -6.099 10.829 -3.117 1.00 0.00 C ATOM 1685 CD LYS A1025 -6.981 12.077 -3.172 1.00 0.00 C ATOM 1686 CE LYS A1025 -7.008 12.839 -1.849 1.00 0.00 C ATOM 1687 NZ LYS A1025 -7.766 12.126 -0.782 1.00 0.00 N ATOM 0 H LYS A1025 -7.507 7.710 -1.069 1.00 0.00 H new ATOM 0 HA LYS A1025 -5.902 8.119 -3.422 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -7.760 9.594 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -6.737 10.045 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -5.124 11.092 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -5.929 10.460 -4.129 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -6.619 12.738 -3.960 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -7.997 11.787 -3.440 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -5.985 13.006 -1.511 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -7.454 13.820 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -8.310 12.814 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -8.417 11.441 -1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -7.101 11.624 -0.160 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.540 8.322 -0.434 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.259 8.298 0.267 1.00 0.00 C ATOM 1703 C ASN A1026 -2.468 7.055 -0.105 1.00 0.00 C ATOM 1704 O ASN A1026 -1.267 7.126 -0.365 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.467 8.343 1.781 1.00 0.00 C ATOM 1706 CG ASN A1026 -3.748 9.741 2.287 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -3.259 10.725 1.732 1.00 0.00 O ATOM 1708 ND2 ASN A1026 -4.528 9.842 3.350 1.00 0.00 N ATOM 0 H ASN A1026 -5.355 8.229 0.173 1.00 0.00 H new ATOM 0 HA ASN A1026 -2.696 9.181 -0.036 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -4.297 7.689 2.050 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -2.579 7.952 2.278 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -4.744 10.760 3.739 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -4.914 9.002 3.781 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.156 5.923 -0.126 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.562 4.655 -0.527 1.00 0.00 C ATOM 1717 C LEU A1027 -2.048 4.746 -1.960 1.00 0.00 C ATOM 1718 O LEU A1027 -0.961 4.265 -2.270 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.598 3.533 -0.391 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.106 2.123 -0.722 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -1.935 1.737 0.171 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.242 1.120 -0.577 1.00 0.00 C ATOM 0 H LEU A1027 -4.140 5.857 0.134 1.00 0.00 H new ATOM 0 HA LEU A1027 -1.717 4.430 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -3.974 3.534 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.442 3.764 -1.041 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.762 2.112 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.601 0.731 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.115 2.440 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.249 1.764 1.214 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -3.878 0.121 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.613 1.136 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.050 1.384 -1.259 1.00 0.00 H new ATOM 1734 N GLY A1028 -2.832 5.386 -2.821 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.431 5.576 -4.200 1.00 0.00 C ATOM 1736 C GLY A1028 -1.168 6.407 -4.327 1.00 0.00 C ATOM 1737 O GLY A1028 -0.273 6.067 -5.100 1.00 0.00 O ATOM 0 H GLY A1028 -3.743 5.778 -2.585 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.271 4.604 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.239 6.062 -4.747 1.00 0.00 H new ATOM 1741 N THR A1029 -1.089 7.492 -3.568 1.00 0.00 N ATOM 1742 CA THR A1029 0.087 8.353 -3.590 1.00 0.00 C ATOM 1743 C THR A1029 1.279 7.653 -2.938 1.00 0.00 C ATOM 1744 O THR A1029 2.433 7.871 -3.318 1.00 0.00 O ATOM 1745 CB THR A1029 -0.189 9.677 -2.860 1.00 0.00 C ATOM 1746 OG1 THR A1029 -1.420 10.242 -3.328 1.00 0.00 O ATOM 1747 CG2 THR A1029 0.937 10.676 -3.078 1.00 0.00 C ATOM 0 H THR A1029 -1.824 7.797 -2.930 1.00 0.00 H new ATOM 0 HA THR A1029 0.322 8.566 -4.633 1.00 0.00 H new ATOM 0 HB THR A1029 -0.258 9.463 -1.793 1.00 0.00 H new ATOM 0 HG1 THR A1029 -2.173 9.728 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A1029 0.710 11.601 -2.548 1.00 0.00 H new ATOM 0 HG22 THR A1029 1.871 10.260 -2.699 1.00 0.00 H new ATOM 0 HG23 THR A1029 1.038 10.883 -4.143 1.00 0.00 H new ATOM 1755 N ALA A1030 0.986 6.811 -1.954 1.00 0.00 N ATOM 1756 CA ALA A1030 2.006 6.006 -1.302 1.00 0.00 C ATOM 1757 C ALA A1030 2.605 5.015 -2.294 1.00 0.00 C ATOM 1758 O ALA A1030 3.824 4.905 -2.423 1.00 0.00 O ATOM 1759 CB ALA A1030 1.408 5.279 -0.105 1.00 0.00 C ATOM 0 H ALA A1030 0.044 6.669 -1.590 1.00 0.00 H new ATOM 0 HA ALA A1030 2.804 6.658 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A1030 2.179 4.678 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A1030 1.018 6.008 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.599 4.630 -0.440 1.00 0.00 H new ATOM 1765 N LEU A1031 1.731 4.318 -3.015 1.00 0.00 N ATOM 1766 CA LEU A1031 2.154 3.380 -4.047 1.00 0.00 C ATOM 1767 C LEU A1031 2.868 4.111 -5.176 1.00 0.00 C ATOM 1768 O LEU A1031 3.791 3.577 -5.786 1.00 0.00 O ATOM 1769 CB LEU A1031 0.948 2.624 -4.609 1.00 0.00 C ATOM 1770 CG LEU A1031 0.211 1.740 -3.605 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -1.015 1.117 -4.250 1.00 0.00 C ATOM 1772 CD2 LEU A1031 1.136 0.663 -3.069 1.00 0.00 C ATOM 0 H LEU A1031 0.720 4.387 -2.901 1.00 0.00 H new ATOM 0 HA LEU A1031 2.843 2.668 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.243 3.348 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.283 2.002 -5.439 1.00 0.00 H new ATOM 0 HG LEU A1031 -0.115 2.360 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.530 0.490 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.687 1.905 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -0.709 0.509 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.596 0.042 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.490 0.044 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.988 1.129 -2.573 1.00 0.00 H new ATOM 1784 N ALA A1032 2.429 5.337 -5.435 1.00 0.00 N ATOM 1785 CA ALA A1032 3.008 6.171 -6.480 1.00 0.00 C ATOM 1786 C ALA A1032 4.516 6.319 -6.304 1.00 0.00 C ATOM 1787 O ALA A1032 5.292 5.997 -7.209 1.00 0.00 O ATOM 1788 CB ALA A1032 2.335 7.539 -6.488 1.00 0.00 C ATOM 0 H ALA A1032 1.663 5.780 -4.927 1.00 0.00 H new ATOM 0 HA ALA A1032 2.834 5.682 -7.439 1.00 0.00 H new ATOM 0 HB1 ALA A1032 2.774 8.156 -7.272 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.268 7.419 -6.676 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.481 8.022 -5.522 1.00 0.00 H new ATOM 1794 N GLU A1033 4.937 6.783 -5.134 1.00 0.00 N ATOM 1795 CA GLU A1033 6.355 7.003 -4.889 1.00 0.00 C ATOM 1796 C GLU A1033 7.065 5.688 -4.587 1.00 0.00 C ATOM 1797 O GLU A1033 8.253 5.544 -4.869 1.00 0.00 O ATOM 1798 CB GLU A1033 6.577 8.006 -3.753 1.00 0.00 C ATOM 1799 CG GLU A1033 6.036 7.565 -2.404 1.00 0.00 C ATOM 1800 CD GLU A1033 6.560 8.427 -1.278 1.00 0.00 C ATOM 1801 OE1 GLU A1033 7.752 8.314 -0.936 1.00 0.00 O ATOM 1802 OE2 GLU A1033 5.770 9.213 -0.717 1.00 0.00 O ATOM 0 H GLU A1033 4.326 7.011 -4.350 1.00 0.00 H new ATOM 0 HA GLU A1033 6.783 7.426 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A1033 7.646 8.195 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A1033 6.110 8.952 -4.025 1.00 0.00 H new ATOM 0 HG2 GLU A1033 4.947 7.608 -2.418 1.00 0.00 H new ATOM 0 HG3 GLU A1033 6.312 6.526 -2.224 1.00 0.00 H new ATOM 1809 N LEU A1034 6.339 4.731 -4.017 1.00 0.00 N ATOM 1810 CA LEU A1034 6.893 3.411 -3.742 1.00 0.00 C ATOM 1811 C LEU A1034 7.270 2.715 -5.044 1.00 0.00 C ATOM 1812 O LEU A1034 8.370 2.186 -5.181 1.00 0.00 O ATOM 1813 CB LEU A1034 5.888 2.561 -2.958 1.00 0.00 C ATOM 1814 CG LEU A1034 6.384 1.170 -2.553 1.00 0.00 C ATOM 1815 CD1 LEU A1034 7.583 1.280 -1.623 1.00 0.00 C ATOM 1816 CD2 LEU A1034 5.264 0.380 -1.892 1.00 0.00 C ATOM 0 H LEU A1034 5.365 4.846 -3.737 1.00 0.00 H new ATOM 0 HA LEU A1034 7.791 3.532 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.603 3.104 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A1034 4.986 2.446 -3.560 1.00 0.00 H new ATOM 0 HG LEU A1034 6.697 0.639 -3.452 1.00 0.00 H new ATOM 0 HD11 LEU A1034 7.921 0.282 -1.346 1.00 0.00 H new ATOM 0 HD12 LEU A1034 8.390 1.809 -2.130 1.00 0.00 H new ATOM 0 HD13 LEU A1034 7.298 1.829 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A1034 5.632 -0.606 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A1034 4.922 0.908 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A1034 4.434 0.272 -2.590 1.00 0.00 H new ATOM 1828 N ARG A1035 6.351 2.739 -6.004 1.00 0.00 N ATOM 1829 CA ARG A1035 6.586 2.147 -7.315 1.00 0.00 C ATOM 1830 C ARG A1035 7.767 2.817 -8.005 1.00 0.00 C ATOM 1831 O ARG A1035 8.663 2.146 -8.516 1.00 0.00 O ATOM 1832 CB ARG A1035 5.331 2.275 -8.183 1.00 0.00 C ATOM 1833 CG ARG A1035 5.526 1.822 -9.619 1.00 0.00 C ATOM 1834 CD ARG A1035 4.287 2.086 -10.454 1.00 0.00 C ATOM 1835 NE ARG A1035 4.498 1.782 -11.868 1.00 0.00 N ATOM 1836 CZ ARG A1035 3.838 2.371 -12.861 1.00 0.00 C ATOM 1837 NH1 ARG A1035 2.975 3.344 -12.605 1.00 0.00 N ATOM 1838 NH2 ARG A1035 4.067 2.010 -14.114 1.00 0.00 N ATOM 0 H ARG A1035 5.431 3.165 -5.896 1.00 0.00 H new ATOM 0 HA ARG A1035 6.819 1.091 -7.178 1.00 0.00 H new ATOM 0 HB2 ARG A1035 4.529 1.689 -7.733 1.00 0.00 H new ATOM 0 HB3 ARG A1035 5.005 3.315 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A1035 6.378 2.344 -10.054 1.00 0.00 H new ATOM 0 HG3 ARG A1035 5.760 0.758 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A1035 3.461 1.485 -10.075 1.00 0.00 H new ATOM 0 HD3 ARG A1035 3.996 3.131 -10.348 1.00 0.00 H new ATOM 0 HE ARG A1035 5.193 1.075 -12.108 1.00 0.00 H new ATOM 0 HH11 ARG A1035 2.815 3.644 -11.643 1.00 0.00 H new ATOM 0 HH12 ARG A1035 2.471 3.793 -13.370 1.00 0.00 H new ATOM 0 HH21 ARG A1035 4.750 1.280 -14.318 1.00 0.00 H new ATOM 0 HH22 ARG A1035 3.561 2.462 -14.876 1.00 0.00 H new ATOM 1852 N THR A1036 7.768 4.144 -7.992 1.00 0.00 N ATOM 1853 CA THR A1036 8.817 4.915 -8.639 1.00 0.00 C ATOM 1854 C THR A1036 10.175 4.642 -7.986 1.00 0.00 C ATOM 1855 O THR A1036 11.188 4.496 -8.670 1.00 0.00 O ATOM 1856 CB THR A1036 8.505 6.426 -8.581 1.00 0.00 C ATOM 1857 OG1 THR A1036 7.167 6.675 -9.046 1.00 0.00 O ATOM 1858 CG2 THR A1036 9.485 7.217 -9.432 1.00 0.00 C ATOM 0 H THR A1036 7.050 4.709 -7.538 1.00 0.00 H new ATOM 0 HA THR A1036 8.859 4.605 -9.683 1.00 0.00 H new ATOM 0 HB THR A1036 8.599 6.747 -7.544 1.00 0.00 H new ATOM 0 HG1 THR A1036 6.524 6.327 -8.394 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.243 8.278 -9.374 1.00 0.00 H new ATOM 0 HG22 THR A1036 10.499 7.055 -9.065 1.00 0.00 H new ATOM 0 HG23 THR A1036 9.417 6.886 -10.468 1.00 0.00 H new ATOM 1866 N ALA A1037 10.180 4.548 -6.661 1.00 0.00 N ATOM 1867 CA ALA A1037 11.405 4.289 -5.916 1.00 0.00 C ATOM 1868 C ALA A1037 11.905 2.869 -6.155 1.00 0.00 C ATOM 1869 O ALA A1037 13.086 2.659 -6.433 1.00 0.00 O ATOM 1870 CB ALA A1037 11.181 4.532 -4.432 1.00 0.00 C ATOM 0 H ALA A1037 9.347 4.648 -6.080 1.00 0.00 H new ATOM 0 HA ALA A1037 12.171 4.978 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA A1037 12.104 4.335 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A1037 10.881 5.568 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A1037 10.397 3.868 -4.069 1.00 0.00 H new ATOM 1876 N ALA A1038 10.998 1.900 -6.062 1.00 0.00 N ATOM 1877 CA ALA A1038 11.350 0.495 -6.247 1.00 0.00 C ATOM 1878 C ALA A1038 11.855 0.239 -7.659 1.00 0.00 C ATOM 1879 O ALA A1038 12.729 -0.602 -7.874 1.00 0.00 O ATOM 1880 CB ALA A1038 10.154 -0.397 -5.951 1.00 0.00 C ATOM 0 H ALA A1038 10.012 2.063 -5.859 1.00 0.00 H new ATOM 0 HA ALA A1038 12.151 0.256 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A1038 10.434 -1.441 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A1038 9.833 -0.245 -4.920 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.336 -0.145 -6.626 1.00 0.00 H new ATOM 1886 N GLN A1039 11.300 0.970 -8.616 1.00 0.00 N ATOM 1887 CA GLN A1039 11.705 0.838 -10.003 1.00 0.00 C ATOM 1888 C GLN A1039 13.152 1.291 -10.172 1.00 0.00 C ATOM 1889 O GLN A1039 13.976 0.578 -10.747 1.00 0.00 O ATOM 1890 CB GLN A1039 10.790 1.667 -10.905 1.00 0.00 C ATOM 1891 CG GLN A1039 10.741 1.166 -12.338 1.00 0.00 C ATOM 1892 CD GLN A1039 10.017 -0.162 -12.464 1.00 0.00 C ATOM 1893 OE1 GLN A1039 9.018 -0.377 -11.621 1.00 0.00 O flip ATOM 1894 NE2 GLN A1039 10.342 -0.983 -13.321 1.00 0.00 N flip ATOM 0 H GLN A1039 10.567 1.661 -8.454 1.00 0.00 H new ATOM 0 HA GLN A1039 11.625 -0.210 -10.291 1.00 0.00 H new ATOM 0 HB2 GLN A1039 9.782 1.661 -10.491 1.00 0.00 H new ATOM 0 HB3 GLN A1039 11.130 2.703 -10.901 1.00 0.00 H new ATOM 0 HG2 GLN A1039 10.244 1.908 -12.962 1.00 0.00 H new ATOM 0 HG3 GLN A1039 11.757 1.060 -12.717 1.00 0.00 H new ATOM 0 HE21 GLN A1039 11.117 -0.781 -13.952 1.00 0.00 H new ATOM 0 HE22 GLN A1039 9.836 -1.865 -13.400 1.00 0.00 H new ATOM 1903 N LYS A1040 13.455 2.470 -9.638 1.00 0.00 N ATOM 1904 CA LYS A1040 14.794 3.038 -9.733 1.00 0.00 C ATOM 1905 C LYS A1040 15.802 2.202 -8.952 1.00 0.00 C ATOM 1906 O LYS A1040 16.920 1.981 -9.412 1.00 0.00 O ATOM 1907 CB LYS A1040 14.802 4.478 -9.218 1.00 0.00 C ATOM 1908 CG LYS A1040 13.939 5.423 -10.037 1.00 0.00 C ATOM 1909 CD LYS A1040 13.952 6.830 -9.459 1.00 0.00 C ATOM 1910 CE LYS A1040 13.101 7.777 -10.289 1.00 0.00 C ATOM 1911 NZ LYS A1040 13.120 9.162 -9.750 1.00 0.00 N ATOM 0 H LYS A1040 12.787 3.053 -9.133 1.00 0.00 H new ATOM 0 HA LYS A1040 15.084 3.034 -10.784 1.00 0.00 H new ATOM 0 HB2 LYS A1040 14.456 4.487 -8.185 1.00 0.00 H new ATOM 0 HB3 LYS A1040 15.827 4.848 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A1040 14.299 5.447 -11.066 1.00 0.00 H new ATOM 0 HG3 LYS A1040 12.915 5.050 -10.066 1.00 0.00 H new ATOM 0 HD2 LYS A1040 13.581 6.808 -8.434 1.00 0.00 H new ATOM 0 HD3 LYS A1040 14.977 7.199 -9.419 1.00 0.00 H new ATOM 0 HE2 LYS A1040 13.464 7.783 -11.317 1.00 0.00 H new ATOM 0 HE3 LYS A1040 12.074 7.413 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 12.527 9.775 -10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 12.750 9.161 -8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 14.096 9.521 -9.749 1.00 0.00 H new ATOM 1925 N ALA A1041 15.397 1.735 -7.773 1.00 0.00 N ATOM 1926 CA ALA A1041 16.257 0.907 -6.932 1.00 0.00 C ATOM 1927 C ALA A1041 16.617 -0.393 -7.638 1.00 0.00 C ATOM 1928 O ALA A1041 17.736 -0.894 -7.516 1.00 0.00 O ATOM 1929 CB ALA A1041 15.572 0.610 -5.609 1.00 0.00 C ATOM 0 H ALA A1041 14.475 1.917 -7.378 1.00 0.00 H new ATOM 0 HA ALA A1041 17.177 1.459 -6.739 1.00 0.00 H new ATOM 0 HB1 ALA A1041 16.224 -0.008 -4.992 1.00 0.00 H new ATOM 0 HB2 ALA A1041 15.361 1.545 -5.090 1.00 0.00 H new ATOM 0 HB3 ALA A1041 14.638 0.079 -5.794 1.00 0.00 H new ATOM 1935 N GLN A1042 15.656 -0.926 -8.377 1.00 0.00 N ATOM 1936 CA GLN A1042 15.849 -2.154 -9.132 1.00 0.00 C ATOM 1937 C GLN A1042 16.912 -1.965 -10.211 1.00 0.00 C ATOM 1938 O GLN A1042 17.814 -2.787 -10.362 1.00 0.00 O ATOM 1939 CB GLN A1042 14.526 -2.577 -9.772 1.00 0.00 C ATOM 1940 CG GLN A1042 14.620 -3.850 -10.592 1.00 0.00 C ATOM 1941 CD GLN A1042 13.349 -4.132 -11.370 1.00 0.00 C ATOM 1942 OE1 GLN A1042 12.217 -3.704 -10.835 1.00 0.00 O flip ATOM 1943 NE2 GLN A1042 13.385 -4.729 -12.443 1.00 0.00 N flip ATOM 0 H GLN A1042 14.724 -0.521 -8.470 1.00 0.00 H new ATOM 0 HA GLN A1042 16.188 -2.933 -8.449 1.00 0.00 H new ATOM 0 HB2 GLN A1042 13.782 -2.716 -8.988 1.00 0.00 H new ATOM 0 HB3 GLN A1042 14.168 -1.770 -10.411 1.00 0.00 H new ATOM 0 HG2 GLN A1042 15.457 -3.771 -11.285 1.00 0.00 H new ATOM 0 HG3 GLN A1042 14.832 -4.690 -9.931 1.00 0.00 H new ATOM 0 HE21 GLN A1042 14.278 -5.043 -12.822 1.00 0.00 H new ATOM 0 HE22 GLN A1042 12.522 -4.911 -12.955 1.00 0.00 H new