USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1003 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 995 GLN : amide:sc= -0.388 K(o=0.039,f=-7.7!) USER MOD Set 1.2: A 999 LYS NZ :NH3+ 176:sc= 0.428 (180deg=-0.179) USER MOD Set 2.1: A 976 GLN : amide:sc= 0 K(o=-0.0029,f=-0.62) USER MOD Set 2.2: A 979 SER OG : rot -170:sc=-0.00291 USER MOD Set 3.1: A 973 SER OG : rot 73:sc= 1.21 USER MOD Set 3.2: A 983 GLN : amide:sc= 1.45 K(o=2.7,f=-2.9) USER MOD Set 4.1: A 962 GLN : amide:sc= 0.924 K(o=2.2,f=-1.9) USER MOD Set 4.2: A 992 SER OG : rot -84:sc= 1.31 USER MOD Set 5.1: A 945 SER OG : rot -175:sc= 0.17 USER MOD Set 5.2: A 949 GLN : amide:sc= -2.22! X(o=-2!,f=-2) USER MOD Set 6.1: A 915 GLN : amide:sc= 0.32 K(o=0.82,f=-1.5) USER MOD Set 6.2: A 919 HIS : no HE2:sc= 0.505 K(o=0.82,f=-4!) USER MOD Single : A 912 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 923 GLN : amide:sc= 0.635 K(o=0.63,f=0) USER MOD Single : A 927 SER OG : rot 70:sc=-0.00882 USER MOD Single : A 929 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 930 GLN : amide:sc= -0.365 K(o=-0.36,f=-3.2!) USER MOD Single : A 931 THR OG1 : rot 65:sc= 0.365 USER MOD Single : A 936 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 937 HIS :FLIP no HE2:sc= 0.437 F(o=-1.4!,f=0.44) USER MOD Single : A 940 SER OG : rot 180:sc= 0 USER MOD Single : A 943 LYS NZ :NH3+ -166:sc= -0.0248 (180deg=-0.226) USER MOD Single : A 954 GLN :FLIP amide:sc= -0.0233 F(o=-1.5!,f=-0.023) USER MOD Single : A 955 SER OG : rot -170:sc= 0 USER MOD Single : A 956 CYS SG : rot 19:sc= -3.58! USER MOD Single : A 957 LYS NZ :NH3+ -163:sc= -0.0455 (180deg=-0.336) USER MOD Single : A 968 GLN : amide:sc= -1.57! C(o=-1.6!,f=-6.3!) USER MOD Single : A 974 GLN : amide:sc= 1.1 K(o=1.1,f=-0.86) USER MOD Single : A 981 SER OG : rot 180:sc= 0.00309 USER MOD Single : A 990 SER OG : rot 77:sc= 1.13 USER MOD Single : A 991 GLN : amide:sc= -0.0953 K(o=-0.095,f=-0.83) USER MOD Single : A1000 MET CE :methyl 144:sc= -1.85 (180deg=-4.27!) USER MOD Single : A1005 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1010 THR OG1 : rot 13:sc= 0.756 USER MOD Single : A1012 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.17) USER MOD Single : A1014 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1016 SER OG : rot 64:sc= 1.14 USER MOD Single : A1018 MET CE :methyl -159:sc= -0.158 (180deg=-0.686) USER MOD Single : A1019 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A1021 SER OG : rot 180:sc= 0 USER MOD Single : A1022 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A1023 CYS SG : rot 76:sc= 1.21 USER MOD Single : A1025 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1026 ASN : amide:sc= 1.14 K(o=1.1,f=-0.014) USER MOD Single : A1029 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A1036 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A1039 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.84) USER MOD Single : A1040 LYS NZ :NH3+ -163:sc= -0.0715 (180deg=-0.399) USER MOD Single : A1042 GLN :FLIP amide:sc= -0.906 F(o=-2.9!,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 907 9.007 14.896 7.236 1.00 0.00 N ATOM 2 CA GLY A 907 8.733 14.501 5.835 1.00 0.00 C ATOM 3 C GLY A 907 9.724 13.476 5.330 1.00 0.00 C ATOM 4 O GLY A 907 10.218 12.653 6.098 1.00 0.00 O ATOM 0 HA2 GLY A 907 7.724 14.095 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 907 8.767 15.384 5.196 1.00 0.00 H new ATOM 10 N ILE A 908 10.021 13.526 4.042 1.00 0.00 N ATOM 11 CA ILE A 908 10.951 12.585 3.444 1.00 0.00 C ATOM 12 C ILE A 908 11.995 13.307 2.599 1.00 0.00 C ATOM 13 O ILE A 908 11.687 14.259 1.877 1.00 0.00 O ATOM 14 CB ILE A 908 10.218 11.526 2.580 1.00 0.00 C ATOM 15 CG1 ILE A 908 11.223 10.550 1.956 1.00 0.00 C ATOM 16 CG2 ILE A 908 9.374 12.193 1.500 1.00 0.00 C ATOM 17 CD1 ILE A 908 10.586 9.484 1.091 1.00 0.00 C ATOM 0 H ILE A 908 9.631 14.208 3.391 1.00 0.00 H new ATOM 0 HA ILE A 908 11.453 12.071 4.264 1.00 0.00 H new ATOM 0 HB ILE A 908 9.549 10.962 3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 908 11.937 11.113 1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 908 11.789 10.067 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 908 8.870 11.429 0.908 1.00 0.00 H new ATOM 0 HG22 ILE A 908 8.630 12.839 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 908 10.017 12.789 0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 908 11.361 8.833 0.686 1.00 0.00 H new ATOM 0 HD12 ILE A 908 9.894 8.894 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 908 10.044 9.956 0.272 1.00 0.00 H new ATOM 29 N ASP A 909 13.234 12.867 2.717 1.00 0.00 N ATOM 30 CA ASP A 909 14.311 13.380 1.891 1.00 0.00 C ATOM 31 C ASP A 909 15.050 12.207 1.267 1.00 0.00 C ATOM 32 O ASP A 909 15.445 11.277 1.971 1.00 0.00 O ATOM 33 CB ASP A 909 15.269 14.242 2.719 1.00 0.00 C ATOM 34 CG ASP A 909 16.327 14.916 1.869 1.00 0.00 C ATOM 35 OD1 ASP A 909 15.996 15.897 1.166 1.00 0.00 O ATOM 36 OD2 ASP A 909 17.494 14.484 1.907 1.00 0.00 O ATOM 0 H ASP A 909 13.521 12.149 3.383 1.00 0.00 H new ATOM 0 HA ASP A 909 13.896 14.012 1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 909 14.699 15.002 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 909 15.754 13.620 3.471 1.00 0.00 H new ATOM 41 N PRO A 910 15.200 12.201 -0.062 1.00 0.00 N ATOM 42 CA PRO A 910 15.866 11.107 -0.766 1.00 0.00 C ATOM 43 C PRO A 910 17.378 11.096 -0.548 1.00 0.00 C ATOM 44 O PRO A 910 18.146 11.554 -1.395 1.00 0.00 O ATOM 45 CB PRO A 910 15.527 11.362 -2.235 1.00 0.00 C ATOM 46 CG PRO A 910 15.264 12.827 -2.324 1.00 0.00 C ATOM 47 CD PRO A 910 14.717 13.247 -0.985 1.00 0.00 C ATOM 0 HA PRO A 910 15.531 10.134 -0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 910 16.350 11.069 -2.886 1.00 0.00 H new ATOM 0 HB3 PRO A 910 14.655 10.785 -2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 910 16.179 13.372 -2.557 1.00 0.00 H new ATOM 0 HG3 PRO A 910 14.552 13.045 -3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 910 15.080 14.233 -0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 910 13.628 13.299 -0.996 1.00 0.00 H new ATOM 55 N PHE A 911 17.794 10.604 0.616 1.00 0.00 N ATOM 56 CA PHE A 911 19.208 10.402 0.901 1.00 0.00 C ATOM 57 C PHE A 911 19.748 9.277 0.033 1.00 0.00 C ATOM 58 O PHE A 911 20.690 9.462 -0.738 1.00 0.00 O ATOM 59 CB PHE A 911 19.424 10.047 2.378 1.00 0.00 C ATOM 60 CG PHE A 911 18.957 11.096 3.346 1.00 0.00 C ATOM 61 CD1 PHE A 911 19.744 12.200 3.621 1.00 0.00 C ATOM 62 CD2 PHE A 911 17.737 10.969 3.990 1.00 0.00 C ATOM 63 CE1 PHE A 911 19.323 13.158 4.522 1.00 0.00 C ATOM 64 CE2 PHE A 911 17.310 11.925 4.891 1.00 0.00 C ATOM 65 CZ PHE A 911 18.104 13.021 5.157 1.00 0.00 C ATOM 0 H PHE A 911 17.169 10.338 1.377 1.00 0.00 H new ATOM 0 HA PHE A 911 19.737 11.330 0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 911 18.904 9.114 2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 911 20.486 9.865 2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 911 20.697 12.314 3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 911 17.112 10.112 3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 911 19.947 14.015 4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 911 16.357 11.815 5.386 1.00 0.00 H new ATOM 0 HZ PHE A 911 17.773 13.771 5.860 1.00 0.00 H new ATOM 75 N THR A 912 19.129 8.114 0.167 1.00 0.00 N ATOM 76 CA THR A 912 19.503 6.942 -0.602 1.00 0.00 C ATOM 77 C THR A 912 18.289 6.379 -1.331 1.00 0.00 C ATOM 78 O THR A 912 17.172 6.886 -1.181 1.00 0.00 O ATOM 79 CB THR A 912 20.089 5.844 0.308 1.00 0.00 C ATOM 80 OG1 THR A 912 19.106 5.436 1.268 1.00 0.00 O ATOM 81 CG2 THR A 912 21.333 6.340 1.031 1.00 0.00 C ATOM 0 H THR A 912 18.354 7.958 0.812 1.00 0.00 H new ATOM 0 HA THR A 912 20.260 7.250 -1.323 1.00 0.00 H new ATOM 0 HB THR A 912 20.369 4.996 -0.317 1.00 0.00 H new ATOM 0 HG1 THR A 912 19.481 4.737 1.843 1.00 0.00 H new ATOM 0 HG21 THR A 912 21.726 5.546 1.666 1.00 0.00 H new ATOM 0 HG22 THR A 912 22.089 6.627 0.300 1.00 0.00 H new ATOM 0 HG23 THR A 912 21.077 7.203 1.646 1.00 0.00 H new ATOM 89 N LEU A 913 18.508 5.326 -2.106 1.00 0.00 N ATOM 90 CA LEU A 913 17.430 4.667 -2.829 1.00 0.00 C ATOM 91 C LEU A 913 16.496 3.946 -1.864 1.00 0.00 C ATOM 92 O LEU A 913 15.276 3.979 -2.023 1.00 0.00 O ATOM 93 CB LEU A 913 18.006 3.681 -3.848 1.00 0.00 C ATOM 94 CG LEU A 913 18.861 4.317 -4.944 1.00 0.00 C ATOM 95 CD1 LEU A 913 19.551 3.248 -5.773 1.00 0.00 C ATOM 96 CD2 LEU A 913 18.006 5.209 -5.832 1.00 0.00 C ATOM 0 H LEU A 913 19.427 4.908 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 913 16.854 5.426 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 913 18.609 2.944 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 913 17.183 3.142 -4.316 1.00 0.00 H new ATOM 0 HG LEU A 913 19.627 4.930 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 913 20.155 3.721 -6.548 1.00 0.00 H new ATOM 0 HD12 LEU A 913 20.193 2.647 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 913 18.801 2.608 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 913 18.629 5.655 -6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 913 17.219 4.614 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 913 17.556 5.998 -5.230 1.00 0.00 H new ATOM 108 N VAL A 914 17.069 3.312 -0.849 1.00 0.00 N ATOM 109 CA VAL A 914 16.272 2.579 0.128 1.00 0.00 C ATOM 110 C VAL A 914 15.613 3.517 1.135 1.00 0.00 C ATOM 111 O VAL A 914 14.577 3.187 1.704 1.00 0.00 O ATOM 112 CB VAL A 914 17.103 1.515 0.875 1.00 0.00 C ATOM 113 CG1 VAL A 914 17.586 0.451 -0.093 1.00 0.00 C ATOM 114 CG2 VAL A 914 18.277 2.146 1.609 1.00 0.00 C ATOM 0 H VAL A 914 18.075 3.290 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 914 15.493 2.069 -0.438 1.00 0.00 H new ATOM 0 HB VAL A 914 16.461 1.045 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 914 18.171 -0.294 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 914 16.728 -0.031 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 914 18.206 0.913 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 914 18.843 1.370 2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 914 18.925 2.652 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 914 17.906 2.869 2.336 1.00 0.00 H new ATOM 124 N GLN A 915 16.202 4.691 1.338 1.00 0.00 N ATOM 125 CA GLN A 915 15.641 5.675 2.258 1.00 0.00 C ATOM 126 C GLN A 915 14.272 6.148 1.773 1.00 0.00 C ATOM 127 O GLN A 915 13.324 6.260 2.556 1.00 0.00 O ATOM 128 CB GLN A 915 16.596 6.863 2.411 1.00 0.00 C ATOM 129 CG GLN A 915 16.096 7.961 3.337 1.00 0.00 C ATOM 130 CD GLN A 915 15.685 7.448 4.706 1.00 0.00 C ATOM 131 OE1 GLN A 915 14.522 7.119 4.933 1.00 0.00 O ATOM 132 NE2 GLN A 915 16.632 7.374 5.624 1.00 0.00 N ATOM 0 H GLN A 915 17.065 4.984 0.880 1.00 0.00 H new ATOM 0 HA GLN A 915 15.513 5.203 3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 915 17.552 6.498 2.785 1.00 0.00 H new ATOM 0 HB3 GLN A 915 16.782 7.292 1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 915 16.878 8.710 3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 915 15.245 8.460 2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 915 17.585 7.656 5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 915 16.410 7.034 6.560 1.00 0.00 H new ATOM 141 N ARG A 916 14.160 6.409 0.478 1.00 0.00 N ATOM 142 CA ARG A 916 12.886 6.820 -0.088 1.00 0.00 C ATOM 143 C ARG A 916 11.927 5.632 -0.144 1.00 0.00 C ATOM 144 O ARG A 916 10.710 5.806 -0.122 1.00 0.00 O ATOM 145 CB ARG A 916 13.073 7.453 -1.473 1.00 0.00 C ATOM 146 CG ARG A 916 13.675 6.524 -2.514 1.00 0.00 C ATOM 147 CD ARG A 916 13.924 7.248 -3.828 1.00 0.00 C ATOM 148 NE ARG A 916 12.699 7.831 -4.378 1.00 0.00 N ATOM 149 CZ ARG A 916 12.677 8.736 -5.354 1.00 0.00 C ATOM 150 NH1 ARG A 916 13.813 9.168 -5.894 1.00 0.00 N ATOM 151 NH2 ARG A 916 11.516 9.213 -5.786 1.00 0.00 N ATOM 0 H ARG A 916 14.926 6.344 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 916 12.450 7.582 0.559 1.00 0.00 H new ATOM 0 HB2 ARG A 916 12.105 7.802 -1.833 1.00 0.00 H new ATOM 0 HB3 ARG A 916 13.712 8.330 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 916 14.613 6.115 -2.139 1.00 0.00 H new ATOM 0 HG3 ARG A 916 13.004 5.681 -2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 916 14.662 8.035 -3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 916 14.349 6.551 -4.550 1.00 0.00 H new ATOM 0 HE ARG A 916 11.807 7.525 -3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 916 14.706 8.806 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 916 13.791 9.862 -6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 916 10.644 8.886 -5.370 1.00 0.00 H new ATOM 0 HH22 ARG A 916 11.496 9.907 -6.534 1.00 0.00 H new ATOM 165 N LEU A 917 12.489 4.425 -0.186 1.00 0.00 N ATOM 166 CA LEU A 917 11.697 3.201 -0.137 1.00 0.00 C ATOM 167 C LEU A 917 11.064 3.021 1.236 1.00 0.00 C ATOM 168 O LEU A 917 9.855 2.838 1.342 1.00 0.00 O ATOM 169 CB LEU A 917 12.558 1.981 -0.470 1.00 0.00 C ATOM 170 CG LEU A 917 12.707 1.674 -1.958 1.00 0.00 C ATOM 171 CD1 LEU A 917 13.687 0.532 -2.172 1.00 0.00 C ATOM 172 CD2 LEU A 917 11.353 1.323 -2.554 1.00 0.00 C ATOM 0 H LEU A 917 13.495 4.270 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 917 10.906 3.289 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.551 2.131 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 917 12.129 1.109 0.023 1.00 0.00 H new ATOM 0 HG LEU A 917 13.097 2.560 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 917 13.780 0.328 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 917 14.661 0.808 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 917 13.323 -0.360 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 917 11.468 1.105 -3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 917 10.948 0.448 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 917 10.671 2.164 -2.428 1.00 0.00 H new ATOM 184 N GLU A 918 11.891 3.083 2.281 1.00 0.00 N ATOM 185 CA GLU A 918 11.423 2.908 3.655 1.00 0.00 C ATOM 186 C GLU A 918 10.218 3.796 3.952 1.00 0.00 C ATOM 187 O GLU A 918 9.162 3.313 4.360 1.00 0.00 O ATOM 188 CB GLU A 918 12.536 3.233 4.655 1.00 0.00 C ATOM 189 CG GLU A 918 13.680 2.233 4.666 1.00 0.00 C ATOM 190 CD GLU A 918 14.704 2.554 5.736 1.00 0.00 C ATOM 191 OE1 GLU A 918 14.351 2.502 6.935 1.00 0.00 O ATOM 192 OE2 GLU A 918 15.859 2.880 5.390 1.00 0.00 O ATOM 0 H GLU A 918 12.893 3.254 2.200 1.00 0.00 H new ATOM 0 HA GLU A 918 11.129 1.864 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 918 12.935 4.221 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 918 12.106 3.286 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 918 13.284 1.231 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.165 2.226 3.690 1.00 0.00 H new ATOM 199 N HIS A 919 10.378 5.091 3.722 1.00 0.00 N ATOM 200 CA HIS A 919 9.336 6.060 4.049 1.00 0.00 C ATOM 201 C HIS A 919 8.089 5.869 3.191 1.00 0.00 C ATOM 202 O HIS A 919 6.972 6.108 3.650 1.00 0.00 O ATOM 203 CB HIS A 919 9.865 7.487 3.908 1.00 0.00 C ATOM 204 CG HIS A 919 10.529 8.003 5.147 1.00 0.00 C ATOM 205 ND1 HIS A 919 11.883 7.884 5.399 1.00 0.00 N ATOM 206 CD2 HIS A 919 10.009 8.650 6.215 1.00 0.00 C ATOM 207 CE1 HIS A 919 12.159 8.436 6.567 1.00 0.00 C ATOM 208 NE2 HIS A 919 11.040 8.909 7.079 1.00 0.00 N ATOM 0 H HIS A 919 11.218 5.497 3.310 1.00 0.00 H new ATOM 0 HA HIS A 919 9.050 5.889 5.087 1.00 0.00 H new ATOM 0 HB2 HIS A 919 10.576 7.523 3.083 1.00 0.00 H new ATOM 0 HB3 HIS A 919 9.039 8.148 3.646 1.00 0.00 H new ATOM 0 HD1 HIS A 919 12.562 7.440 4.781 1.00 0.00 H new ATOM 0 HD2 HIS A 919 8.972 8.914 6.360 1.00 0.00 H new ATOM 0 HE1 HIS A 919 13.136 8.491 7.025 1.00 0.00 H new ATOM 216 N ALA A 920 8.275 5.432 1.951 1.00 0.00 N ATOM 217 CA ALA A 920 7.148 5.207 1.055 1.00 0.00 C ATOM 218 C ALA A 920 6.414 3.924 1.423 1.00 0.00 C ATOM 219 O ALA A 920 5.187 3.890 1.469 1.00 0.00 O ATOM 220 CB ALA A 920 7.614 5.156 -0.392 1.00 0.00 C ATOM 0 H ALA A 920 9.188 5.228 1.546 1.00 0.00 H new ATOM 0 HA ALA A 920 6.456 6.042 1.165 1.00 0.00 H new ATOM 0 HB1 ALA A 920 6.757 4.987 -1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 920 8.090 6.101 -0.655 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.330 4.343 -0.515 1.00 0.00 H new ATOM 226 N ALA A 921 7.177 2.877 1.702 1.00 0.00 N ATOM 227 CA ALA A 921 6.610 1.584 2.047 1.00 0.00 C ATOM 228 C ALA A 921 5.856 1.645 3.371 1.00 0.00 C ATOM 229 O ALA A 921 4.755 1.107 3.488 1.00 0.00 O ATOM 230 CB ALA A 921 7.703 0.530 2.102 1.00 0.00 C ATOM 0 H ALA A 921 8.197 2.900 1.696 1.00 0.00 H new ATOM 0 HA ALA A 921 5.895 1.310 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.266 -0.434 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.189 0.458 1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.440 0.809 2.855 1.00 0.00 H new ATOM 236 N LYS A 922 6.448 2.311 4.361 1.00 0.00 N ATOM 237 CA LYS A 922 5.806 2.472 5.665 1.00 0.00 C ATOM 238 C LYS A 922 4.429 3.106 5.523 1.00 0.00 C ATOM 239 O LYS A 922 3.432 2.561 5.998 1.00 0.00 O ATOM 240 CB LYS A 922 6.648 3.351 6.589 1.00 0.00 C ATOM 241 CG LYS A 922 7.906 2.695 7.125 1.00 0.00 C ATOM 242 CD LYS A 922 8.608 3.628 8.093 1.00 0.00 C ATOM 243 CE LYS A 922 9.820 2.986 8.738 1.00 0.00 C ATOM 244 NZ LYS A 922 10.382 3.852 9.805 1.00 0.00 N ATOM 0 H LYS A 922 7.367 2.746 4.286 1.00 0.00 H new ATOM 0 HA LYS A 922 5.709 1.475 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 922 6.929 4.255 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.031 3.662 7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 922 7.653 1.761 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 922 8.574 2.444 6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 922 8.916 4.530 7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 922 7.907 3.936 8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 922 9.542 2.020 9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 922 10.581 2.797 7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 11.210 3.387 10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 10.668 4.765 9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 9.662 4.011 10.538 1.00 0.00 H new ATOM 258 N GLN A 923 4.380 4.258 4.855 1.00 0.00 N ATOM 259 CA GLN A 923 3.134 4.998 4.714 1.00 0.00 C ATOM 260 C GLN A 923 2.154 4.236 3.828 1.00 0.00 C ATOM 261 O GLN A 923 0.946 4.319 4.022 1.00 0.00 O ATOM 262 CB GLN A 923 3.390 6.402 4.152 1.00 0.00 C ATOM 263 CG GLN A 923 3.853 6.421 2.707 1.00 0.00 C ATOM 264 CD GLN A 923 4.153 7.818 2.209 1.00 0.00 C ATOM 265 OE1 GLN A 923 3.272 8.516 1.706 1.00 0.00 O ATOM 266 NE2 GLN A 923 5.397 8.236 2.346 1.00 0.00 N ATOM 0 H GLN A 923 5.186 4.694 4.407 1.00 0.00 H new ATOM 0 HA GLN A 923 2.691 5.106 5.704 1.00 0.00 H new ATOM 0 HB2 GLN A 923 2.474 6.987 4.236 1.00 0.00 H new ATOM 0 HB3 GLN A 923 4.141 6.896 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 923 4.746 5.805 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 923 3.085 5.972 2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 923 6.097 7.626 2.768 1.00 0.00 H new ATOM 0 HE22 GLN A 923 5.659 9.170 2.030 1.00 0.00 H new ATOM 275 N ALA A 924 2.680 3.484 2.867 1.00 0.00 N ATOM 276 CA ALA A 924 1.847 2.653 2.013 1.00 0.00 C ATOM 277 C ALA A 924 1.183 1.558 2.836 1.00 0.00 C ATOM 278 O ALA A 924 -0.030 1.379 2.781 1.00 0.00 O ATOM 279 CB ALA A 924 2.666 2.048 0.883 1.00 0.00 C ATOM 0 H ALA A 924 3.678 3.435 2.662 1.00 0.00 H new ATOM 0 HA ALA A 924 1.072 3.279 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.022 1.430 0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.100 2.846 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.464 1.434 1.300 1.00 0.00 H new ATOM 285 N ALA A 925 1.986 0.848 3.619 1.00 0.00 N ATOM 286 CA ALA A 925 1.480 -0.210 4.482 1.00 0.00 C ATOM 287 C ALA A 925 0.489 0.349 5.498 1.00 0.00 C ATOM 288 O ALA A 925 -0.558 -0.250 5.762 1.00 0.00 O ATOM 289 CB ALA A 925 2.636 -0.902 5.191 1.00 0.00 C ATOM 0 H ALA A 925 2.995 0.987 3.673 1.00 0.00 H new ATOM 0 HA ALA A 925 0.957 -0.941 3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.248 -1.692 5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.310 -1.335 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.179 -0.176 5.796 1.00 0.00 H new ATOM 295 N ALA A 926 0.818 1.509 6.052 1.00 0.00 N ATOM 296 CA ALA A 926 -0.043 2.171 7.022 1.00 0.00 C ATOM 297 C ALA A 926 -1.356 2.611 6.383 1.00 0.00 C ATOM 298 O ALA A 926 -2.433 2.340 6.912 1.00 0.00 O ATOM 299 CB ALA A 926 0.672 3.366 7.630 1.00 0.00 C ATOM 0 H ALA A 926 1.680 2.013 5.844 1.00 0.00 H new ATOM 0 HA ALA A 926 -0.275 1.456 7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 926 0.018 3.852 8.353 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.580 3.031 8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 926 0.932 4.074 6.843 1.00 0.00 H new ATOM 305 N SER A 927 -1.261 3.273 5.236 1.00 0.00 N ATOM 306 CA SER A 927 -2.439 3.762 4.540 1.00 0.00 C ATOM 307 C SER A 927 -3.291 2.592 4.052 1.00 0.00 C ATOM 308 O SER A 927 -4.519 2.672 4.036 1.00 0.00 O ATOM 309 CB SER A 927 -2.038 4.659 3.367 1.00 0.00 C ATOM 310 OG SER A 927 -3.166 5.306 2.807 1.00 0.00 O ATOM 0 H SER A 927 -0.378 3.482 4.770 1.00 0.00 H new ATOM 0 HA SER A 927 -3.031 4.355 5.237 1.00 0.00 H new ATOM 0 HB2 SER A 927 -1.319 5.405 3.706 1.00 0.00 H new ATOM 0 HB3 SER A 927 -1.542 4.062 2.602 1.00 0.00 H new ATOM 0 HG SER A 927 -3.504 5.977 3.436 1.00 0.00 H new ATOM 316 N ALA A 928 -2.636 1.503 3.666 1.00 0.00 N ATOM 317 CA ALA A 928 -3.341 0.288 3.287 1.00 0.00 C ATOM 318 C ALA A 928 -4.134 -0.243 4.469 1.00 0.00 C ATOM 319 O ALA A 928 -5.284 -0.650 4.324 1.00 0.00 O ATOM 320 CB ALA A 928 -2.368 -0.767 2.789 1.00 0.00 C ATOM 0 H ALA A 928 -1.620 1.438 3.608 1.00 0.00 H new ATOM 0 HA ALA A 928 -4.029 0.526 2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.917 -1.667 2.511 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.832 -0.386 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.655 -1.006 3.578 1.00 0.00 H new ATOM 326 N THR A 929 -3.515 -0.212 5.644 1.00 0.00 N ATOM 327 CA THR A 929 -4.179 -0.617 6.874 1.00 0.00 C ATOM 328 C THR A 929 -5.418 0.248 7.117 1.00 0.00 C ATOM 329 O THR A 929 -6.488 -0.260 7.464 1.00 0.00 O ATOM 330 CB THR A 929 -3.223 -0.504 8.080 1.00 0.00 C ATOM 331 OG1 THR A 929 -2.027 -1.258 7.829 1.00 0.00 O ATOM 332 CG2 THR A 929 -3.884 -1.009 9.355 1.00 0.00 C ATOM 0 H THR A 929 -2.549 0.091 5.769 1.00 0.00 H new ATOM 0 HA THR A 929 -4.482 -1.659 6.766 1.00 0.00 H new ATOM 0 HB THR A 929 -2.973 0.548 8.214 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.469 -0.780 7.180 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.186 -0.917 10.188 1.00 0.00 H new ATOM 0 HG22 THR A 929 -4.776 -0.417 9.562 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.164 -2.055 9.230 1.00 0.00 H new ATOM 340 N GLN A 930 -5.265 1.555 6.905 1.00 0.00 N ATOM 341 CA GLN A 930 -6.376 2.493 7.020 1.00 0.00 C ATOM 342 C GLN A 930 -7.470 2.152 6.018 1.00 0.00 C ATOM 343 O GLN A 930 -8.655 2.126 6.359 1.00 0.00 O ATOM 344 CB GLN A 930 -5.902 3.924 6.766 1.00 0.00 C ATOM 345 CG GLN A 930 -4.879 4.430 7.766 1.00 0.00 C ATOM 346 CD GLN A 930 -4.468 5.859 7.480 1.00 0.00 C ATOM 347 OE1 GLN A 930 -3.503 6.110 6.758 1.00 0.00 O ATOM 348 NE2 GLN A 930 -5.208 6.807 8.030 1.00 0.00 N ATOM 0 H GLN A 930 -4.377 1.988 6.652 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.772 2.416 8.033 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -5.473 3.980 5.765 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -6.766 4.588 6.780 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -5.293 4.366 8.772 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -3.999 3.787 7.742 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -6.000 6.557 8.622 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -4.987 7.788 7.862 1.00 0.00 H new ATOM 357 N THR A 931 -7.061 1.892 4.785 1.00 0.00 N ATOM 358 CA THR A 931 -7.992 1.580 3.714 1.00 0.00 C ATOM 359 C THR A 931 -8.734 0.277 4.003 1.00 0.00 C ATOM 360 O THR A 931 -9.928 0.175 3.743 1.00 0.00 O ATOM 361 CB THR A 931 -7.270 1.481 2.355 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.456 2.644 2.150 1.00 0.00 O ATOM 363 CG2 THR A 931 -8.269 1.365 1.212 1.00 0.00 C ATOM 0 H THR A 931 -6.081 1.891 4.501 1.00 0.00 H new ATOM 0 HA THR A 931 -8.714 2.395 3.662 1.00 0.00 H new ATOM 0 HB THR A 931 -6.647 0.587 2.369 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.739 2.663 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.733 1.297 0.266 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.877 0.471 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.913 2.244 1.201 1.00 0.00 H new ATOM 371 N ILE A 932 -8.028 -0.707 4.552 1.00 0.00 N ATOM 372 CA ILE A 932 -8.649 -1.972 4.940 1.00 0.00 C ATOM 373 C ILE A 932 -9.746 -1.736 5.972 1.00 0.00 C ATOM 374 O ILE A 932 -10.866 -2.228 5.826 1.00 0.00 O ATOM 375 CB ILE A 932 -7.610 -2.971 5.504 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.686 -3.461 4.386 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.297 -4.146 6.187 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.632 -4.444 4.849 1.00 0.00 C ATOM 0 H ILE A 932 -7.027 -0.654 4.739 1.00 0.00 H new ATOM 0 HA ILE A 932 -9.085 -2.406 4.041 1.00 0.00 H new ATOM 0 HB ILE A 932 -7.009 -2.454 6.252 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -7.289 -3.929 3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.193 -2.601 3.932 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.544 -4.833 6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -8.912 -3.780 7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -8.928 -4.667 5.467 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -5.017 -4.745 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -5.003 -3.974 5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -6.116 -5.322 5.276 1.00 0.00 H new ATOM 390 N ALA A 933 -9.421 -0.962 7.001 1.00 0.00 N ATOM 391 CA ALA A 933 -10.390 -0.624 8.035 1.00 0.00 C ATOM 392 C ALA A 933 -11.579 0.114 7.432 1.00 0.00 C ATOM 393 O ALA A 933 -12.732 -0.239 7.675 1.00 0.00 O ATOM 394 CB ALA A 933 -9.734 0.217 9.120 1.00 0.00 C ATOM 0 H ALA A 933 -8.495 -0.558 7.141 1.00 0.00 H new ATOM 0 HA ALA A 933 -10.753 -1.548 8.485 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.470 0.462 9.886 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -8.915 -0.344 9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.346 1.137 8.683 1.00 0.00 H new ATOM 400 N ALA A 934 -11.285 1.122 6.622 1.00 0.00 N ATOM 401 CA ALA A 934 -12.321 1.914 5.974 1.00 0.00 C ATOM 402 C ALA A 934 -13.179 1.049 5.057 1.00 0.00 C ATOM 403 O ALA A 934 -14.398 1.174 5.041 1.00 0.00 O ATOM 404 CB ALA A 934 -11.697 3.060 5.192 1.00 0.00 C ATOM 0 H ALA A 934 -10.333 1.411 6.397 1.00 0.00 H new ATOM 0 HA ALA A 934 -12.967 2.327 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.483 3.644 4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -11.133 3.699 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -11.027 2.659 4.431 1.00 0.00 H new ATOM 410 N ALA A 935 -12.532 0.159 4.313 1.00 0.00 N ATOM 411 CA ALA A 935 -13.225 -0.715 3.376 1.00 0.00 C ATOM 412 C ALA A 935 -14.234 -1.605 4.090 1.00 0.00 C ATOM 413 O ALA A 935 -15.398 -1.678 3.697 1.00 0.00 O ATOM 414 CB ALA A 935 -12.222 -1.566 2.606 1.00 0.00 C ATOM 0 H ALA A 935 -11.521 0.024 4.342 1.00 0.00 H new ATOM 0 HA ALA A 935 -13.771 -0.086 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -12.754 -2.214 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.544 -0.917 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.650 -2.176 3.305 1.00 0.00 H new ATOM 420 N GLN A 936 -13.791 -2.265 5.154 1.00 0.00 N ATOM 421 CA GLN A 936 -14.643 -3.201 5.874 1.00 0.00 C ATOM 422 C GLN A 936 -15.753 -2.477 6.632 1.00 0.00 C ATOM 423 O GLN A 936 -16.807 -3.053 6.901 1.00 0.00 O ATOM 424 CB GLN A 936 -13.813 -4.054 6.837 1.00 0.00 C ATOM 425 CG GLN A 936 -12.700 -4.834 6.152 1.00 0.00 C ATOM 426 CD GLN A 936 -11.992 -5.789 7.091 1.00 0.00 C ATOM 427 OE1 GLN A 936 -11.026 -5.421 7.760 1.00 0.00 O ATOM 428 NE2 GLN A 936 -12.457 -7.026 7.145 1.00 0.00 N ATOM 0 H GLN A 936 -12.850 -2.169 5.535 1.00 0.00 H new ATOM 0 HA GLN A 936 -15.110 -3.855 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -13.377 -3.408 7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -14.472 -4.753 7.351 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -13.117 -5.395 5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -11.974 -4.135 5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -13.260 -7.294 6.576 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -12.013 -7.712 7.756 1.00 0.00 H new ATOM 437 N HIS A 937 -15.522 -1.213 6.972 1.00 0.00 N ATOM 438 CA HIS A 937 -16.530 -0.422 7.675 1.00 0.00 C ATOM 439 C HIS A 937 -17.499 0.239 6.699 1.00 0.00 C ATOM 440 O HIS A 937 -18.701 -0.019 6.735 1.00 0.00 O ATOM 441 CB HIS A 937 -15.880 0.657 8.554 1.00 0.00 C ATOM 442 CG HIS A 937 -15.350 0.157 9.865 1.00 0.00 C ATOM 443 ND1 HIS A 937 -14.103 -0.215 10.236 1.00 0.00 N flip ATOM 444 CD2 HIS A 937 -16.137 0.009 10.989 1.00 0.00 C flip ATOM 445 CE1 HIS A 937 -14.160 -0.570 11.559 1.00 0.00 C flip ATOM 446 NE2 HIS A 937 -15.395 -0.425 11.991 1.00 0.00 N flip ATOM 0 H HIS A 937 -14.653 -0.716 6.775 1.00 0.00 H new ATOM 0 HA HIS A 937 -17.084 -1.112 8.311 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -15.063 1.117 7.998 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -16.613 1.440 8.748 1.00 0.00 H new ATOM 0 HD1 HIS A 937 -13.274 -0.229 9.642 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -17.196 0.216 11.041 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -13.325 -0.914 12.152 1.00 0.00 H new ATOM 454 N ALA A 938 -16.964 1.070 5.814 1.00 0.00 N ATOM 455 CA ALA A 938 -17.777 1.920 4.948 1.00 0.00 C ATOM 456 C ALA A 938 -18.604 1.118 3.951 1.00 0.00 C ATOM 457 O ALA A 938 -19.749 1.469 3.663 1.00 0.00 O ATOM 458 CB ALA A 938 -16.891 2.911 4.214 1.00 0.00 C ATOM 0 H ALA A 938 -15.959 1.175 5.675 1.00 0.00 H new ATOM 0 HA ALA A 938 -18.478 2.455 5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 938 -17.505 3.541 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 938 -16.365 3.534 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 938 -16.165 2.370 3.607 1.00 0.00 H new ATOM 464 N ALA A 939 -18.032 0.045 3.426 1.00 0.00 N ATOM 465 CA ALA A 939 -18.715 -0.757 2.418 1.00 0.00 C ATOM 466 C ALA A 939 -19.705 -1.728 3.056 1.00 0.00 C ATOM 467 O ALA A 939 -20.419 -2.440 2.350 1.00 0.00 O ATOM 468 CB ALA A 939 -17.706 -1.511 1.565 1.00 0.00 C ATOM 0 H ALA A 939 -17.102 -0.290 3.678 1.00 0.00 H new ATOM 0 HA ALA A 939 -19.279 -0.078 1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 939 -18.233 -2.105 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 939 -17.048 -0.800 1.066 1.00 0.00 H new ATOM 0 HB3 ALA A 939 -17.113 -2.170 2.200 1.00 0.00 H new ATOM 474 N SER A 940 -19.717 -1.764 4.393 1.00 0.00 N ATOM 475 CA SER A 940 -20.632 -2.611 5.172 1.00 0.00 C ATOM 476 C SER A 940 -20.256 -4.098 5.074 1.00 0.00 C ATOM 477 O SER A 940 -20.457 -4.853 6.032 1.00 0.00 O ATOM 478 CB SER A 940 -22.089 -2.388 4.730 1.00 0.00 C ATOM 479 OG SER A 940 -23.006 -3.091 5.557 1.00 0.00 O ATOM 0 H SER A 940 -19.089 -1.204 4.970 1.00 0.00 H new ATOM 0 HA SER A 940 -20.537 -2.318 6.218 1.00 0.00 H new ATOM 0 HB2 SER A 940 -22.318 -1.323 4.758 1.00 0.00 H new ATOM 0 HB3 SER A 940 -22.209 -2.713 3.697 1.00 0.00 H new ATOM 0 HG SER A 940 -23.921 -2.924 5.247 1.00 0.00 H new ATOM 485 N ALA A 941 -19.706 -4.494 3.922 1.00 0.00 N ATOM 486 CA ALA A 941 -19.299 -5.874 3.642 1.00 0.00 C ATOM 487 C ALA A 941 -20.514 -6.773 3.425 1.00 0.00 C ATOM 488 O ALA A 941 -21.426 -6.817 4.255 1.00 0.00 O ATOM 489 CB ALA A 941 -18.393 -6.430 4.738 1.00 0.00 C ATOM 0 H ALA A 941 -19.529 -3.855 3.147 1.00 0.00 H new ATOM 0 HA ALA A 941 -18.721 -5.860 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 941 -18.113 -7.455 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 941 -17.495 -5.817 4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 941 -18.923 -6.416 5.690 1.00 0.00 H new ATOM 495 N PRO A 942 -20.549 -7.488 2.285 1.00 0.00 N ATOM 496 CA PRO A 942 -21.657 -8.387 1.940 1.00 0.00 C ATOM 497 C PRO A 942 -21.899 -9.442 3.013 1.00 0.00 C ATOM 498 O PRO A 942 -20.959 -9.938 3.640 1.00 0.00 O ATOM 499 CB PRO A 942 -21.198 -9.044 0.634 1.00 0.00 C ATOM 500 CG PRO A 942 -20.201 -8.100 0.064 1.00 0.00 C ATOM 501 CD PRO A 942 -19.511 -7.475 1.242 1.00 0.00 C ATOM 0 HA PRO A 942 -22.601 -7.851 1.849 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -20.756 -10.023 0.818 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -22.035 -9.195 -0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 942 -19.489 -8.622 -0.575 1.00 0.00 H new ATOM 0 HG3 PRO A 942 -20.686 -7.343 -0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 942 -18.631 -8.044 1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 942 -19.175 -6.462 1.021 1.00 0.00 H new ATOM 509 N LYS A 943 -23.161 -9.777 3.215 1.00 0.00 N ATOM 510 CA LYS A 943 -23.547 -10.717 4.254 1.00 0.00 C ATOM 511 C LYS A 943 -23.396 -12.149 3.761 1.00 0.00 C ATOM 512 O LYS A 943 -22.740 -12.973 4.400 1.00 0.00 O ATOM 513 CB LYS A 943 -24.989 -10.446 4.680 1.00 0.00 C ATOM 514 CG LYS A 943 -25.205 -9.040 5.215 1.00 0.00 C ATOM 515 CD LYS A 943 -26.680 -8.729 5.388 1.00 0.00 C ATOM 516 CE LYS A 943 -26.895 -7.345 5.979 1.00 0.00 C ATOM 517 NZ LYS A 943 -26.337 -7.232 7.352 1.00 0.00 N ATOM 0 H LYS A 943 -23.941 -9.410 2.670 1.00 0.00 H new ATOM 0 HA LYS A 943 -22.891 -10.585 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -25.649 -10.608 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -25.275 -11.167 5.446 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -24.695 -8.932 6.172 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -24.758 -8.318 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -27.182 -8.795 4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -27.136 -9.477 6.036 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -26.428 -6.600 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -27.962 -7.123 6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -26.704 -6.371 7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -26.616 -8.064 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -25.299 -7.181 7.302 1.00 0.00 H new ATOM 531 N ALA A 944 -23.986 -12.432 2.609 1.00 0.00 N ATOM 532 CA ALA A 944 -23.935 -13.765 2.036 1.00 0.00 C ATOM 533 C ALA A 944 -23.743 -13.692 0.528 1.00 0.00 C ATOM 534 O ALA A 944 -24.665 -13.340 -0.209 1.00 0.00 O ATOM 535 CB ALA A 944 -25.198 -14.541 2.374 1.00 0.00 C ATOM 0 H ALA A 944 -24.506 -11.753 2.053 1.00 0.00 H new ATOM 0 HA ALA A 944 -23.083 -14.290 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 944 -25.141 -15.537 1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 944 -25.294 -14.626 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 944 -26.065 -14.017 1.972 1.00 0.00 H new ATOM 541 N SER A 945 -22.537 -13.994 0.083 1.00 0.00 N ATOM 542 CA SER A 945 -22.223 -13.998 -1.335 1.00 0.00 C ATOM 543 C SER A 945 -21.494 -15.283 -1.705 1.00 0.00 C ATOM 544 O SER A 945 -20.883 -15.932 -0.850 1.00 0.00 O ATOM 545 CB SER A 945 -21.373 -12.774 -1.685 1.00 0.00 C ATOM 546 OG SER A 945 -21.074 -12.717 -3.073 1.00 0.00 O ATOM 0 H SER A 945 -21.754 -14.241 0.688 1.00 0.00 H new ATOM 0 HA SER A 945 -23.150 -13.951 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 945 -21.902 -11.868 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 945 -20.445 -12.801 -1.114 1.00 0.00 H new ATOM 0 HG SER A 945 -20.468 -11.967 -3.246 1.00 0.00 H new ATOM 552 N ALA A 946 -21.571 -15.655 -2.971 1.00 0.00 N ATOM 553 CA ALA A 946 -20.939 -16.871 -3.451 1.00 0.00 C ATOM 554 C ALA A 946 -19.971 -16.572 -4.586 1.00 0.00 C ATOM 555 O ALA A 946 -19.454 -17.487 -5.229 1.00 0.00 O ATOM 556 CB ALA A 946 -21.994 -17.867 -3.904 1.00 0.00 C ATOM 0 H ALA A 946 -22.068 -15.128 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 946 -20.371 -17.307 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -21.508 -18.775 -4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -22.647 -18.111 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -22.585 -17.430 -4.709 1.00 0.00 H new ATOM 562 N GLY A 947 -19.723 -15.292 -4.830 1.00 0.00 N ATOM 563 CA GLY A 947 -18.821 -14.912 -5.898 1.00 0.00 C ATOM 564 C GLY A 947 -18.676 -13.410 -6.047 1.00 0.00 C ATOM 565 O GLY A 947 -17.663 -12.844 -5.635 1.00 0.00 O ATOM 0 H GLY A 947 -20.128 -14.514 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 947 -17.840 -15.349 -5.710 1.00 0.00 H new ATOM 0 HA3 GLY A 947 -19.182 -15.331 -6.837 1.00 0.00 H new ATOM 569 N PRO A 948 -19.676 -12.743 -6.646 1.00 0.00 N ATOM 570 CA PRO A 948 -19.647 -11.295 -6.891 1.00 0.00 C ATOM 571 C PRO A 948 -19.404 -10.474 -5.627 1.00 0.00 C ATOM 572 O PRO A 948 -20.296 -10.309 -4.790 1.00 0.00 O ATOM 573 CB PRO A 948 -21.036 -10.993 -7.457 1.00 0.00 C ATOM 574 CG PRO A 948 -21.515 -12.286 -8.015 1.00 0.00 C ATOM 575 CD PRO A 948 -20.917 -13.359 -7.147 1.00 0.00 C ATOM 0 HA PRO A 948 -18.827 -11.028 -7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -21.707 -10.626 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -20.989 -10.224 -8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -22.604 -12.337 -8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -21.201 -12.403 -9.052 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -21.586 -13.635 -6.332 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -20.714 -14.267 -7.714 1.00 0.00 H new ATOM 583 N GLN A 949 -18.187 -9.969 -5.497 1.00 0.00 N ATOM 584 CA GLN A 949 -17.812 -9.123 -4.376 1.00 0.00 C ATOM 585 C GLN A 949 -17.390 -7.753 -4.893 1.00 0.00 C ATOM 586 O GLN A 949 -16.951 -7.636 -6.034 1.00 0.00 O ATOM 587 CB GLN A 949 -16.670 -9.773 -3.585 1.00 0.00 C ATOM 588 CG GLN A 949 -17.079 -11.059 -2.884 1.00 0.00 C ATOM 589 CD GLN A 949 -18.022 -10.809 -1.725 1.00 0.00 C ATOM 590 OE1 GLN A 949 -19.230 -10.706 -1.906 1.00 0.00 O ATOM 591 NE2 GLN A 949 -17.477 -10.734 -0.523 1.00 0.00 N ATOM 0 H GLN A 949 -17.433 -10.134 -6.164 1.00 0.00 H new ATOM 0 HA GLN A 949 -18.667 -9.003 -3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 949 -15.842 -9.984 -4.262 1.00 0.00 H new ATOM 0 HB3 GLN A 949 -16.302 -9.064 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 949 -17.558 -11.725 -3.602 1.00 0.00 H new ATOM 0 HG3 GLN A 949 -16.188 -11.571 -2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 949 -16.467 -10.825 -0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 949 -18.067 -10.585 0.296 1.00 0.00 H new ATOM 600 N PRO A 950 -17.515 -6.702 -4.065 1.00 0.00 N ATOM 601 CA PRO A 950 -17.173 -5.321 -4.455 1.00 0.00 C ATOM 602 C PRO A 950 -15.663 -5.089 -4.594 1.00 0.00 C ATOM 603 O PRO A 950 -15.183 -3.975 -4.377 1.00 0.00 O ATOM 604 CB PRO A 950 -17.729 -4.468 -3.300 1.00 0.00 C ATOM 605 CG PRO A 950 -18.594 -5.384 -2.500 1.00 0.00 C ATOM 606 CD PRO A 950 -18.028 -6.757 -2.692 1.00 0.00 C ATOM 0 HA PRO A 950 -17.587 -5.077 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 950 -16.922 -4.060 -2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 950 -18.301 -3.621 -3.679 1.00 0.00 H new ATOM 0 HG2 PRO A 950 -18.590 -5.104 -1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 950 -19.629 -5.338 -2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 950 -17.238 -6.974 -1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 950 -18.788 -7.529 -2.574 1.00 0.00 H new ATOM 614 N LEU A 951 -14.937 -6.145 -4.971 1.00 0.00 N ATOM 615 CA LEU A 951 -13.480 -6.114 -5.146 1.00 0.00 C ATOM 616 C LEU A 951 -12.743 -5.954 -3.814 1.00 0.00 C ATOM 617 O LEU A 951 -11.899 -6.780 -3.474 1.00 0.00 O ATOM 618 CB LEU A 951 -13.067 -5.019 -6.112 1.00 0.00 C ATOM 619 CG LEU A 951 -11.616 -5.096 -6.566 1.00 0.00 C ATOM 620 CD1 LEU A 951 -11.266 -6.502 -7.034 1.00 0.00 C ATOM 621 CD2 LEU A 951 -11.398 -4.111 -7.681 1.00 0.00 C ATOM 0 H LEU A 951 -15.349 -7.058 -5.166 1.00 0.00 H new ATOM 0 HA LEU A 951 -13.194 -7.077 -5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -13.712 -5.063 -6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -13.236 -4.051 -5.640 1.00 0.00 H new ATOM 0 HG LEU A 951 -10.968 -4.852 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -10.224 -6.530 -7.353 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -11.414 -7.206 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -11.909 -6.778 -7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -10.361 -4.160 -8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -12.057 -4.354 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -11.618 -3.104 -7.326 1.00 0.00 H new ATOM 633 N LEU A 952 -13.081 -4.895 -3.076 1.00 0.00 N ATOM 634 CA LEU A 952 -12.473 -4.585 -1.773 1.00 0.00 C ATOM 635 C LEU A 952 -12.271 -5.819 -0.900 1.00 0.00 C ATOM 636 O LEU A 952 -11.211 -5.990 -0.314 1.00 0.00 O ATOM 637 CB LEU A 952 -13.336 -3.574 -1.014 1.00 0.00 C ATOM 638 CG LEU A 952 -13.156 -2.116 -1.428 1.00 0.00 C ATOM 639 CD1 LEU A 952 -14.181 -1.238 -0.728 1.00 0.00 C ATOM 640 CD2 LEU A 952 -11.747 -1.645 -1.098 1.00 0.00 C ATOM 0 H LEU A 952 -13.790 -4.221 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 952 -11.489 -4.166 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -14.384 -3.845 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -13.116 -3.661 0.050 1.00 0.00 H new ATOM 0 HG LEU A 952 -13.308 -2.039 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -14.041 -0.201 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -15.185 -1.563 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -14.053 -1.319 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -11.632 -0.604 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -11.575 -1.734 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -11.023 -2.259 -1.634 1.00 0.00 H new ATOM 652 N VAL A 953 -13.285 -6.673 -0.821 1.00 0.00 N ATOM 653 CA VAL A 953 -13.220 -7.865 0.025 1.00 0.00 C ATOM 654 C VAL A 953 -12.043 -8.762 -0.365 1.00 0.00 C ATOM 655 O VAL A 953 -11.354 -9.313 0.493 1.00 0.00 O ATOM 656 CB VAL A 953 -14.530 -8.678 -0.055 1.00 0.00 C ATOM 657 CG1 VAL A 953 -14.492 -9.866 0.899 1.00 0.00 C ATOM 658 CG2 VAL A 953 -15.729 -7.789 0.242 1.00 0.00 C ATOM 0 H VAL A 953 -14.162 -6.565 -1.331 1.00 0.00 H new ATOM 0 HA VAL A 953 -13.077 -7.520 1.049 1.00 0.00 H new ATOM 0 HB VAL A 953 -14.630 -9.063 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -15.426 -10.423 0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -13.659 -10.518 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -14.364 -9.508 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -16.643 -8.379 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -15.633 -7.371 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -15.771 -6.979 -0.486 1.00 0.00 H new ATOM 668 N GLN A 954 -11.805 -8.877 -1.664 1.00 0.00 N ATOM 669 CA GLN A 954 -10.727 -9.714 -2.177 1.00 0.00 C ATOM 670 C GLN A 954 -9.392 -9.006 -2.006 1.00 0.00 C ATOM 671 O GLN A 954 -8.415 -9.594 -1.539 1.00 0.00 O ATOM 672 CB GLN A 954 -10.957 -10.021 -3.659 1.00 0.00 C ATOM 673 CG GLN A 954 -12.338 -10.574 -3.963 1.00 0.00 C ATOM 674 CD GLN A 954 -12.577 -10.762 -5.448 1.00 0.00 C ATOM 675 OE1 GLN A 954 -11.936 -9.936 -6.263 1.00 0.00 O flip ATOM 676 NE2 GLN A 954 -13.333 -11.638 -5.857 1.00 0.00 N flip ATOM 0 H GLN A 954 -12.346 -8.400 -2.385 1.00 0.00 H new ATOM 0 HA GLN A 954 -10.714 -10.648 -1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -10.806 -9.109 -4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -10.207 -10.738 -3.993 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -12.462 -11.530 -3.455 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -13.093 -9.898 -3.560 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -13.807 -12.253 -5.195 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -13.488 -11.751 -6.859 1.00 0.00 H new ATOM 685 N SER A 955 -9.367 -7.732 -2.380 1.00 0.00 N ATOM 686 CA SER A 955 -8.162 -6.926 -2.286 1.00 0.00 C ATOM 687 C SER A 955 -7.695 -6.823 -0.838 1.00 0.00 C ATOM 688 O SER A 955 -6.503 -6.924 -0.552 1.00 0.00 O ATOM 689 CB SER A 955 -8.435 -5.537 -2.856 1.00 0.00 C ATOM 690 OG SER A 955 -9.059 -5.625 -4.128 1.00 0.00 O ATOM 0 H SER A 955 -10.175 -7.235 -2.753 1.00 0.00 H new ATOM 0 HA SER A 955 -7.370 -7.403 -2.863 1.00 0.00 H new ATOM 0 HB2 SER A 955 -9.073 -4.978 -2.172 1.00 0.00 H new ATOM 0 HB3 SER A 955 -7.499 -4.985 -2.943 1.00 0.00 H new ATOM 0 HG SER A 955 -9.082 -4.738 -4.543 1.00 0.00 H new ATOM 696 N CYS A 956 -8.649 -6.648 0.072 1.00 0.00 N ATOM 697 CA CYS A 956 -8.362 -6.547 1.498 1.00 0.00 C ATOM 698 C CYS A 956 -7.583 -7.762 1.984 1.00 0.00 C ATOM 699 O CYS A 956 -6.604 -7.629 2.718 1.00 0.00 O ATOM 700 CB CYS A 956 -9.669 -6.417 2.285 1.00 0.00 C ATOM 701 SG CYS A 956 -9.466 -6.449 4.079 1.00 0.00 S ATOM 0 H CYS A 956 -9.640 -6.572 -0.158 1.00 0.00 H new ATOM 0 HA CYS A 956 -7.751 -5.660 1.662 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -10.157 -5.484 2.003 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -10.337 -7.227 1.993 1.00 0.00 H new ATOM 0 HG CYS A 956 -8.231 -6.179 4.381 1.00 0.00 H new ATOM 707 N LYS A 957 -8.013 -8.943 1.557 1.00 0.00 N ATOM 708 CA LYS A 957 -7.357 -10.181 1.948 1.00 0.00 C ATOM 709 C LYS A 957 -5.946 -10.245 1.376 1.00 0.00 C ATOM 710 O LYS A 957 -4.997 -10.601 2.074 1.00 0.00 O ATOM 711 CB LYS A 957 -8.172 -11.383 1.475 1.00 0.00 C ATOM 712 CG LYS A 957 -9.546 -11.467 2.114 1.00 0.00 C ATOM 713 CD LYS A 957 -10.343 -12.637 1.567 1.00 0.00 C ATOM 714 CE LYS A 957 -11.682 -12.773 2.270 1.00 0.00 C ATOM 715 NZ LYS A 957 -11.519 -13.035 3.725 1.00 0.00 N ATOM 0 H LYS A 957 -8.815 -9.068 0.939 1.00 0.00 H new ATOM 0 HA LYS A 957 -7.290 -10.206 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -8.285 -11.333 0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -7.620 -12.297 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -9.440 -11.570 3.194 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -10.089 -10.539 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -10.504 -12.501 0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -9.771 -13.557 1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -12.261 -11.861 2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -12.250 -13.585 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -12.411 -13.403 4.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -10.764 -13.735 3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -11.268 -12.150 4.211 1.00 0.00 H new ATOM 729 N ALA A 958 -5.817 -9.876 0.107 1.00 0.00 N ATOM 730 CA ALA A 958 -4.525 -9.876 -0.562 1.00 0.00 C ATOM 731 C ALA A 958 -3.563 -8.898 0.105 1.00 0.00 C ATOM 732 O ALA A 958 -2.415 -9.241 0.396 1.00 0.00 O ATOM 733 CB ALA A 958 -4.696 -9.539 -2.035 1.00 0.00 C ATOM 0 H ALA A 958 -6.595 -9.572 -0.479 1.00 0.00 H new ATOM 0 HA ALA A 958 -4.097 -10.875 -0.479 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -3.722 -9.542 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.341 -10.281 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -5.148 -8.552 -2.132 1.00 0.00 H new ATOM 739 N VAL A 959 -4.043 -7.685 0.363 1.00 0.00 N ATOM 740 CA VAL A 959 -3.231 -6.653 0.997 1.00 0.00 C ATOM 741 C VAL A 959 -2.837 -7.063 2.413 1.00 0.00 C ATOM 742 O VAL A 959 -1.690 -6.888 2.817 1.00 0.00 O ATOM 743 CB VAL A 959 -3.962 -5.291 1.040 1.00 0.00 C ATOM 744 CG1 VAL A 959 -3.128 -4.246 1.767 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.289 -4.816 -0.365 1.00 0.00 C ATOM 0 H VAL A 959 -4.995 -7.392 0.141 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.332 -6.542 0.390 1.00 0.00 H new ATOM 0 HB VAL A 959 -4.893 -5.428 1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.666 -3.298 1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -2.943 -4.575 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.177 -4.115 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -4.803 -3.856 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.367 -4.704 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -4.932 -5.547 -0.856 1.00 0.00 H new ATOM 755 N ALA A 960 -3.787 -7.633 3.152 1.00 0.00 N ATOM 756 CA ALA A 960 -3.542 -8.067 4.528 1.00 0.00 C ATOM 757 C ALA A 960 -2.398 -9.076 4.600 1.00 0.00 C ATOM 758 O ALA A 960 -1.706 -9.171 5.614 1.00 0.00 O ATOM 759 CB ALA A 960 -4.805 -8.667 5.127 1.00 0.00 C ATOM 0 H ALA A 960 -4.736 -7.806 2.821 1.00 0.00 H new ATOM 0 HA ALA A 960 -3.254 -7.189 5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -4.607 -8.985 6.151 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.598 -7.920 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -5.116 -9.527 4.534 1.00 0.00 H new ATOM 765 N GLU A 961 -2.209 -9.821 3.522 1.00 0.00 N ATOM 766 CA GLU A 961 -1.133 -10.798 3.441 1.00 0.00 C ATOM 767 C GLU A 961 0.187 -10.132 3.062 1.00 0.00 C ATOM 768 O GLU A 961 1.264 -10.606 3.431 1.00 0.00 O ATOM 769 CB GLU A 961 -1.486 -11.875 2.417 1.00 0.00 C ATOM 770 CG GLU A 961 -2.681 -12.726 2.814 1.00 0.00 C ATOM 771 CD GLU A 961 -2.384 -13.623 3.995 1.00 0.00 C ATOM 772 OE1 GLU A 961 -1.826 -14.722 3.780 1.00 0.00 O ATOM 773 OE2 GLU A 961 -2.700 -13.240 5.142 1.00 0.00 O ATOM 0 H GLU A 961 -2.791 -9.767 2.686 1.00 0.00 H new ATOM 0 HA GLU A 961 -1.013 -11.256 4.423 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.692 -11.399 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.622 -12.523 2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -3.521 -12.076 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -2.986 -13.337 1.965 1.00 0.00 H new ATOM 780 N GLN A 962 0.098 -9.019 2.344 1.00 0.00 N ATOM 781 CA GLN A 962 1.283 -8.339 1.827 1.00 0.00 C ATOM 782 C GLN A 962 1.846 -7.331 2.825 1.00 0.00 C ATOM 783 O GLN A 962 3.057 -7.137 2.879 1.00 0.00 O ATOM 784 CB GLN A 962 0.961 -7.632 0.511 1.00 0.00 C ATOM 785 CG GLN A 962 0.604 -8.582 -0.621 1.00 0.00 C ATOM 786 CD GLN A 962 1.725 -9.542 -0.960 1.00 0.00 C ATOM 787 OE1 GLN A 962 2.904 -9.231 -0.790 1.00 0.00 O ATOM 788 NE2 GLN A 962 1.367 -10.717 -1.455 1.00 0.00 N ATOM 0 H GLN A 962 -0.784 -8.566 2.105 1.00 0.00 H new ATOM 0 HA GLN A 962 2.042 -9.103 1.657 1.00 0.00 H new ATOM 0 HB2 GLN A 962 0.131 -6.944 0.672 1.00 0.00 H new ATOM 0 HB3 GLN A 962 1.820 -7.031 0.212 1.00 0.00 H new ATOM 0 HG2 GLN A 962 -0.284 -9.151 -0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 962 0.348 -8.002 -1.508 1.00 0.00 H new ATOM 0 HE21 GLN A 962 0.379 -10.938 -1.581 1.00 0.00 H new ATOM 0 HE22 GLN A 962 2.079 -11.401 -1.710 1.00 0.00 H new ATOM 797 N ILE A 963 0.967 -6.698 3.606 1.00 0.00 N ATOM 798 CA ILE A 963 1.385 -5.679 4.579 1.00 0.00 C ATOM 799 C ILE A 963 2.569 -6.148 5.438 1.00 0.00 C ATOM 800 O ILE A 963 3.591 -5.465 5.495 1.00 0.00 O ATOM 801 CB ILE A 963 0.221 -5.240 5.505 1.00 0.00 C ATOM 802 CG1 ILE A 963 -0.896 -4.585 4.691 1.00 0.00 C ATOM 803 CG2 ILE A 963 0.723 -4.282 6.581 1.00 0.00 C ATOM 804 CD1 ILE A 963 -2.100 -4.186 5.519 1.00 0.00 C ATOM 0 H ILE A 963 -0.038 -6.871 3.586 1.00 0.00 H new ATOM 0 HA ILE A 963 1.702 -4.821 3.986 1.00 0.00 H new ATOM 0 HB ILE A 963 -0.180 -6.129 5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.499 -3.700 4.193 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -1.216 -5.274 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 963 -0.108 -3.985 7.221 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.485 -4.778 7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 963 1.152 -3.398 6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -2.850 -3.728 4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.523 -5.070 5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -1.795 -3.472 6.284 1.00 0.00 H new ATOM 816 N PRO A 964 2.462 -7.312 6.116 1.00 0.00 N ATOM 817 CA PRO A 964 3.560 -7.845 6.930 1.00 0.00 C ATOM 818 C PRO A 964 4.847 -8.013 6.129 1.00 0.00 C ATOM 819 O PRO A 964 5.912 -7.598 6.569 1.00 0.00 O ATOM 820 CB PRO A 964 3.047 -9.209 7.409 1.00 0.00 C ATOM 821 CG PRO A 964 1.868 -9.514 6.551 1.00 0.00 C ATOM 822 CD PRO A 964 1.282 -8.190 6.170 1.00 0.00 C ATOM 0 HA PRO A 964 3.814 -7.169 7.746 1.00 0.00 H new ATOM 0 HB2 PRO A 964 3.815 -9.975 7.307 1.00 0.00 H new ATOM 0 HB3 PRO A 964 2.768 -9.176 8.462 1.00 0.00 H new ATOM 0 HG2 PRO A 964 2.164 -10.079 5.667 1.00 0.00 H new ATOM 0 HG3 PRO A 964 1.141 -10.122 7.089 1.00 0.00 H new ATOM 0 HD2 PRO A 964 0.769 -8.237 5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.554 -7.844 6.904 1.00 0.00 H new ATOM 830 N LEU A 965 4.738 -8.591 4.936 1.00 0.00 N ATOM 831 CA LEU A 965 5.906 -8.863 4.106 1.00 0.00 C ATOM 832 C LEU A 965 6.536 -7.562 3.638 1.00 0.00 C ATOM 833 O LEU A 965 7.756 -7.449 3.529 1.00 0.00 O ATOM 834 CB LEU A 965 5.509 -9.716 2.899 1.00 0.00 C ATOM 835 CG LEU A 965 4.948 -11.094 3.242 1.00 0.00 C ATOM 836 CD1 LEU A 965 4.528 -11.826 1.976 1.00 0.00 C ATOM 837 CD2 LEU A 965 5.977 -11.906 4.016 1.00 0.00 C ATOM 0 H LEU A 965 3.851 -8.880 4.523 1.00 0.00 H new ATOM 0 HA LEU A 965 6.635 -9.411 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 965 4.765 -9.172 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 965 6.383 -9.844 2.260 1.00 0.00 H new ATOM 0 HG LEU A 965 4.067 -10.965 3.871 1.00 0.00 H new ATOM 0 HD11 LEU A 965 4.130 -12.807 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 965 3.761 -11.249 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 965 5.392 -11.947 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 965 5.563 -12.886 4.254 1.00 0.00 H new ATOM 0 HD22 LEU A 965 6.875 -12.028 3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 965 6.231 -11.386 4.940 1.00 0.00 H new ATOM 849 N LEU A 966 5.687 -6.587 3.376 1.00 0.00 N ATOM 850 CA LEU A 966 6.124 -5.276 2.940 1.00 0.00 C ATOM 851 C LEU A 966 6.874 -4.572 4.075 1.00 0.00 C ATOM 852 O LEU A 966 7.968 -4.045 3.875 1.00 0.00 O ATOM 853 CB LEU A 966 4.894 -4.479 2.477 1.00 0.00 C ATOM 854 CG LEU A 966 5.159 -3.143 1.777 1.00 0.00 C ATOM 855 CD1 LEU A 966 5.222 -2.015 2.780 1.00 0.00 C ATOM 856 CD2 LEU A 966 6.438 -3.208 0.960 1.00 0.00 C ATOM 0 H LEU A 966 4.675 -6.682 3.460 1.00 0.00 H new ATOM 0 HA LEU A 966 6.816 -5.359 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.317 -5.108 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 966 4.266 -4.288 3.347 1.00 0.00 H new ATOM 0 HG LEU A 966 4.330 -2.946 1.097 1.00 0.00 H new ATOM 0 HD11 LEU A 966 5.411 -1.076 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 966 4.274 -1.950 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 966 6.026 -2.205 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 966 6.607 -2.248 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 966 7.278 -3.434 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.348 -3.989 0.205 1.00 0.00 H new ATOM 868 N VAL A 967 6.297 -4.600 5.269 1.00 0.00 N ATOM 869 CA VAL A 967 6.922 -3.984 6.435 1.00 0.00 C ATOM 870 C VAL A 967 8.182 -4.744 6.850 1.00 0.00 C ATOM 871 O VAL A 967 9.192 -4.134 7.211 1.00 0.00 O ATOM 872 CB VAL A 967 5.938 -3.894 7.623 1.00 0.00 C ATOM 873 CG1 VAL A 967 6.634 -3.394 8.879 1.00 0.00 C ATOM 874 CG2 VAL A 967 4.777 -2.979 7.264 1.00 0.00 C ATOM 0 H VAL A 967 5.397 -5.042 5.457 1.00 0.00 H new ATOM 0 HA VAL A 967 7.206 -2.971 6.151 1.00 0.00 H new ATOM 0 HB VAL A 967 5.558 -4.895 7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 967 5.915 -3.342 9.697 1.00 0.00 H new ATOM 0 HG12 VAL A 967 7.439 -4.079 9.146 1.00 0.00 H new ATOM 0 HG13 VAL A 967 7.048 -2.402 8.695 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.087 -2.920 8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.156 -1.983 7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.255 -3.378 6.394 1.00 0.00 H new ATOM 884 N GLN A 968 8.133 -6.070 6.781 1.00 0.00 N ATOM 885 CA GLN A 968 9.308 -6.890 7.064 1.00 0.00 C ATOM 886 C GLN A 968 10.390 -6.632 6.027 1.00 0.00 C ATOM 887 O GLN A 968 11.577 -6.801 6.301 1.00 0.00 O ATOM 888 CB GLN A 968 8.953 -8.377 7.097 1.00 0.00 C ATOM 889 CG GLN A 968 8.071 -8.777 8.272 1.00 0.00 C ATOM 890 CD GLN A 968 8.763 -8.646 9.617 1.00 0.00 C ATOM 891 OE1 GLN A 968 9.645 -7.806 9.811 1.00 0.00 O ATOM 892 NE2 GLN A 968 8.365 -9.481 10.562 1.00 0.00 N ATOM 0 H GLN A 968 7.297 -6.599 6.533 1.00 0.00 H new ATOM 0 HA GLN A 968 9.683 -6.612 8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 968 8.445 -8.640 6.169 1.00 0.00 H new ATOM 0 HB3 GLN A 968 9.874 -8.959 7.132 1.00 0.00 H new ATOM 0 HG2 GLN A 968 7.174 -8.157 8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 968 7.746 -9.809 8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 968 7.632 -10.163 10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 968 8.791 -9.443 11.488 1.00 0.00 H new ATOM 901 N GLY A 969 9.970 -6.233 4.833 1.00 0.00 N ATOM 902 CA GLY A 969 10.916 -5.815 3.818 1.00 0.00 C ATOM 903 C GLY A 969 11.625 -4.538 4.224 1.00 0.00 C ATOM 904 O GLY A 969 12.846 -4.429 4.100 1.00 0.00 O ATOM 0 H GLY A 969 8.991 -6.192 4.550 1.00 0.00 H new ATOM 0 HA2 GLY A 969 11.649 -6.605 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 969 10.395 -5.661 2.873 1.00 0.00 H new ATOM 908 N VAL A 970 10.849 -3.581 4.728 1.00 0.00 N ATOM 909 CA VAL A 970 11.396 -2.328 5.235 1.00 0.00 C ATOM 910 C VAL A 970 12.374 -2.599 6.373 1.00 0.00 C ATOM 911 O VAL A 970 13.518 -2.151 6.345 1.00 0.00 O ATOM 912 CB VAL A 970 10.280 -1.388 5.752 1.00 0.00 C ATOM 913 CG1 VAL A 970 10.850 -0.034 6.156 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.184 -1.217 4.713 1.00 0.00 C ATOM 0 H VAL A 970 9.834 -3.652 4.796 1.00 0.00 H new ATOM 0 HA VAL A 970 11.910 -1.842 4.406 1.00 0.00 H new ATOM 0 HB VAL A 970 9.841 -1.851 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 970 10.045 0.607 6.515 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.586 -0.171 6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.327 0.432 5.294 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.413 -0.552 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 970 9.607 -0.788 3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 970 8.744 -2.188 4.485 1.00 0.00 H new ATOM 924 N ARG A 971 11.919 -3.365 7.358 1.00 0.00 N ATOM 925 CA ARG A 971 12.730 -3.670 8.530 1.00 0.00 C ATOM 926 C ARG A 971 13.904 -4.569 8.168 1.00 0.00 C ATOM 927 O ARG A 971 14.916 -4.584 8.863 1.00 0.00 O ATOM 928 CB ARG A 971 11.886 -4.322 9.621 1.00 0.00 C ATOM 929 CG ARG A 971 10.741 -3.451 10.106 1.00 0.00 C ATOM 930 CD ARG A 971 10.156 -3.976 11.403 1.00 0.00 C ATOM 931 NE ARG A 971 11.142 -3.968 12.481 1.00 0.00 N ATOM 932 CZ ARG A 971 11.079 -3.172 13.547 1.00 0.00 C ATOM 933 NH1 ARG A 971 10.039 -2.363 13.721 1.00 0.00 N ATOM 934 NH2 ARG A 971 12.051 -3.203 14.446 1.00 0.00 N ATOM 0 H ARG A 971 10.990 -3.787 7.368 1.00 0.00 H new ATOM 0 HA ARG A 971 13.124 -2.728 8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 971 11.482 -5.261 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 971 12.528 -4.568 10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 971 11.095 -2.430 10.252 1.00 0.00 H new ATOM 0 HG3 ARG A 971 9.963 -3.413 9.344 1.00 0.00 H new ATOM 0 HD2 ARG A 971 9.299 -3.366 11.689 1.00 0.00 H new ATOM 0 HD3 ARG A 971 9.789 -4.991 11.252 1.00 0.00 H new ATOM 0 HE ARG A 971 11.929 -4.613 12.413 1.00 0.00 H new ATOM 0 HH11 ARG A 971 9.283 -2.349 13.036 1.00 0.00 H new ATOM 0 HH12 ARG A 971 9.997 -1.756 14.539 1.00 0.00 H new ATOM 0 HH21 ARG A 971 12.842 -3.834 14.320 1.00 0.00 H new ATOM 0 HH22 ARG A 971 12.008 -2.596 15.264 1.00 0.00 H new ATOM 948 N GLY A 972 13.765 -5.314 7.080 1.00 0.00 N ATOM 949 CA GLY A 972 14.851 -6.150 6.608 1.00 0.00 C ATOM 950 C GLY A 972 16.049 -5.323 6.196 1.00 0.00 C ATOM 951 O GLY A 972 17.190 -5.675 6.492 1.00 0.00 O ATOM 0 H GLY A 972 12.917 -5.354 6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 972 15.142 -6.848 7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 972 14.511 -6.746 5.761 1.00 0.00 H new ATOM 955 N SER A 973 15.780 -4.204 5.533 1.00 0.00 N ATOM 956 CA SER A 973 16.827 -3.282 5.121 1.00 0.00 C ATOM 957 C SER A 973 17.427 -2.584 6.342 1.00 0.00 C ATOM 958 O SER A 973 18.579 -2.151 6.329 1.00 0.00 O ATOM 959 CB SER A 973 16.253 -2.249 4.144 1.00 0.00 C ATOM 960 OG SER A 973 17.256 -1.372 3.663 1.00 0.00 O ATOM 0 H SER A 973 14.839 -3.914 5.269 1.00 0.00 H new ATOM 0 HA SER A 973 17.617 -3.841 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 973 15.785 -2.763 3.304 1.00 0.00 H new ATOM 0 HB3 SER A 973 15.472 -1.672 4.640 1.00 0.00 H new ATOM 0 HG SER A 973 17.832 -1.850 3.031 1.00 0.00 H new ATOM 966 N GLN A 974 16.636 -2.491 7.402 1.00 0.00 N ATOM 967 CA GLN A 974 17.075 -1.851 8.634 1.00 0.00 C ATOM 968 C GLN A 974 17.919 -2.814 9.464 1.00 0.00 C ATOM 969 O GLN A 974 18.861 -2.405 10.142 1.00 0.00 O ATOM 970 CB GLN A 974 15.866 -1.378 9.439 1.00 0.00 C ATOM 971 CG GLN A 974 14.924 -0.497 8.636 1.00 0.00 C ATOM 972 CD GLN A 974 13.743 -0.004 9.444 1.00 0.00 C ATOM 973 OE1 GLN A 974 13.283 -0.666 10.375 1.00 0.00 O ATOM 974 NE2 GLN A 974 13.233 1.161 9.081 1.00 0.00 N ATOM 0 H GLN A 974 15.683 -2.853 7.433 1.00 0.00 H new ATOM 0 HA GLN A 974 17.688 -0.987 8.379 1.00 0.00 H new ATOM 0 HB2 GLN A 974 15.318 -2.246 9.805 1.00 0.00 H new ATOM 0 HB3 GLN A 974 16.212 -0.827 10.314 1.00 0.00 H new ATOM 0 HG2 GLN A 974 15.477 0.360 8.251 1.00 0.00 H new ATOM 0 HG3 GLN A 974 14.560 -1.055 7.774 1.00 0.00 H new ATOM 0 HE21 GLN A 974 13.644 1.678 8.304 1.00 0.00 H new ATOM 0 HE22 GLN A 974 12.428 1.543 9.578 1.00 0.00 H new ATOM 983 N ALA A 975 17.572 -4.091 9.407 1.00 0.00 N ATOM 984 CA ALA A 975 18.316 -5.124 10.113 1.00 0.00 C ATOM 985 C ALA A 975 19.607 -5.455 9.375 1.00 0.00 C ATOM 986 O ALA A 975 20.623 -5.782 9.989 1.00 0.00 O ATOM 987 CB ALA A 975 17.463 -6.373 10.279 1.00 0.00 C ATOM 0 H ALA A 975 16.774 -4.439 8.875 1.00 0.00 H new ATOM 0 HA ALA A 975 18.574 -4.746 11.102 1.00 0.00 H new ATOM 0 HB1 ALA A 975 18.034 -7.136 10.809 1.00 0.00 H new ATOM 0 HB2 ALA A 975 16.567 -6.129 10.850 1.00 0.00 H new ATOM 0 HB3 ALA A 975 17.176 -6.751 9.298 1.00 0.00 H new ATOM 993 N GLN A 976 19.552 -5.385 8.053 1.00 0.00 N ATOM 994 CA GLN A 976 20.725 -5.600 7.222 1.00 0.00 C ATOM 995 C GLN A 976 20.963 -4.368 6.352 1.00 0.00 C ATOM 996 O GLN A 976 20.436 -4.272 5.243 1.00 0.00 O ATOM 997 CB GLN A 976 20.546 -6.846 6.348 1.00 0.00 C ATOM 998 CG GLN A 976 20.166 -8.093 7.132 1.00 0.00 C ATOM 999 CD GLN A 976 20.008 -9.315 6.247 1.00 0.00 C ATOM 1000 OE1 GLN A 976 20.679 -9.446 5.224 1.00 0.00 O ATOM 1001 NE2 GLN A 976 19.124 -10.221 6.637 1.00 0.00 N ATOM 0 H GLN A 976 18.700 -5.179 7.531 1.00 0.00 H new ATOM 0 HA GLN A 976 21.592 -5.760 7.863 1.00 0.00 H new ATOM 0 HB2 GLN A 976 19.777 -6.648 5.602 1.00 0.00 H new ATOM 0 HB3 GLN A 976 21.473 -7.036 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 976 20.929 -8.291 7.885 1.00 0.00 H new ATOM 0 HG3 GLN A 976 19.232 -7.912 7.665 1.00 0.00 H new ATOM 0 HE21 GLN A 976 18.587 -10.075 7.492 1.00 0.00 H new ATOM 0 HE22 GLN A 976 18.980 -11.065 6.082 1.00 0.00 H new ATOM 1010 N PRO A 977 21.748 -3.407 6.869 1.00 0.00 N ATOM 1011 CA PRO A 977 21.952 -2.095 6.237 1.00 0.00 C ATOM 1012 C PRO A 977 22.379 -2.179 4.773 1.00 0.00 C ATOM 1013 O PRO A 977 21.674 -1.693 3.885 1.00 0.00 O ATOM 1014 CB PRO A 977 23.059 -1.441 7.079 1.00 0.00 C ATOM 1015 CG PRO A 977 23.613 -2.532 7.933 1.00 0.00 C ATOM 1016 CD PRO A 977 22.501 -3.517 8.125 1.00 0.00 C ATOM 0 HA PRO A 977 21.020 -1.530 6.216 1.00 0.00 H new ATOM 0 HB2 PRO A 977 23.832 -1.010 6.443 1.00 0.00 H new ATOM 0 HB3 PRO A 977 22.660 -0.630 7.689 1.00 0.00 H new ATOM 0 HG2 PRO A 977 24.472 -3.003 7.455 1.00 0.00 H new ATOM 0 HG3 PRO A 977 23.956 -2.141 8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 977 22.878 -4.527 8.283 1.00 0.00 H new ATOM 0 HD3 PRO A 977 21.885 -3.268 8.989 1.00 0.00 H new ATOM 1024 N ASP A 978 23.518 -2.799 4.513 1.00 0.00 N ATOM 1025 CA ASP A 978 24.049 -2.848 3.163 1.00 0.00 C ATOM 1026 C ASP A 978 24.199 -4.287 2.696 1.00 0.00 C ATOM 1027 O ASP A 978 25.300 -4.830 2.625 1.00 0.00 O ATOM 1028 CB ASP A 978 25.387 -2.111 3.077 1.00 0.00 C ATOM 1029 CG ASP A 978 25.888 -1.997 1.653 1.00 0.00 C ATOM 1030 OD1 ASP A 978 25.313 -1.201 0.880 1.00 0.00 O ATOM 1031 OD2 ASP A 978 26.859 -2.696 1.300 1.00 0.00 O ATOM 0 H ASP A 978 24.089 -3.272 5.214 1.00 0.00 H new ATOM 0 HA ASP A 978 23.342 -2.346 2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 978 25.278 -1.114 3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 978 26.128 -2.636 3.680 1.00 0.00 H new ATOM 1036 N SER A 979 23.070 -4.919 2.431 1.00 0.00 N ATOM 1037 CA SER A 979 23.051 -6.264 1.908 1.00 0.00 C ATOM 1038 C SER A 979 22.136 -6.334 0.688 1.00 0.00 C ATOM 1039 O SER A 979 20.951 -6.011 0.783 1.00 0.00 O ATOM 1040 CB SER A 979 22.566 -7.221 2.992 1.00 0.00 C ATOM 1041 OG SER A 979 23.402 -7.160 4.137 1.00 0.00 O ATOM 0 H SER A 979 22.146 -4.512 2.573 1.00 0.00 H new ATOM 0 HA SER A 979 24.057 -6.552 1.603 1.00 0.00 H new ATOM 0 HB2 SER A 979 21.542 -6.971 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 979 22.551 -8.239 2.603 1.00 0.00 H new ATOM 0 HG SER A 979 23.170 -7.888 4.751 1.00 0.00 H new ATOM 1047 N PRO A 980 22.682 -6.729 -0.475 1.00 0.00 N ATOM 1048 CA PRO A 980 21.912 -6.881 -1.717 1.00 0.00 C ATOM 1049 C PRO A 980 20.647 -7.708 -1.516 1.00 0.00 C ATOM 1050 O PRO A 980 19.589 -7.365 -2.035 1.00 0.00 O ATOM 1051 CB PRO A 980 22.879 -7.595 -2.674 1.00 0.00 C ATOM 1052 CG PRO A 980 24.061 -7.987 -1.850 1.00 0.00 C ATOM 1053 CD PRO A 980 24.099 -7.046 -0.682 1.00 0.00 C ATOM 0 HA PRO A 980 21.567 -5.918 -2.094 1.00 0.00 H new ATOM 0 HB2 PRO A 980 22.409 -8.470 -3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 980 23.174 -6.938 -3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 980 23.973 -9.020 -1.513 1.00 0.00 H new ATOM 0 HG3 PRO A 980 24.980 -7.919 -2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 980 24.542 -7.511 0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 980 24.686 -6.154 -0.900 1.00 0.00 H new ATOM 1061 N SER A 981 20.763 -8.784 -0.745 1.00 0.00 N ATOM 1062 CA SER A 981 19.622 -9.638 -0.445 1.00 0.00 C ATOM 1063 C SER A 981 18.511 -8.845 0.249 1.00 0.00 C ATOM 1064 O SER A 981 17.358 -8.878 -0.179 1.00 0.00 O ATOM 1065 CB SER A 981 20.070 -10.811 0.425 1.00 0.00 C ATOM 1066 OG SER A 981 20.896 -10.364 1.490 1.00 0.00 O ATOM 0 H SER A 981 21.638 -9.085 -0.316 1.00 0.00 H new ATOM 0 HA SER A 981 19.219 -10.024 -1.382 1.00 0.00 H new ATOM 0 HB2 SER A 981 19.197 -11.325 0.827 1.00 0.00 H new ATOM 0 HB3 SER A 981 20.613 -11.534 -0.184 1.00 0.00 H new ATOM 0 HG SER A 981 21.170 -11.131 2.035 1.00 0.00 H new ATOM 1072 N ALA A 982 18.875 -8.122 1.305 1.00 0.00 N ATOM 1073 CA ALA A 982 17.919 -7.319 2.062 1.00 0.00 C ATOM 1074 C ALA A 982 17.353 -6.190 1.211 1.00 0.00 C ATOM 1075 O ALA A 982 16.145 -5.948 1.203 1.00 0.00 O ATOM 1076 CB ALA A 982 18.577 -6.750 3.308 1.00 0.00 C ATOM 0 H ALA A 982 19.831 -8.076 1.657 1.00 0.00 H new ATOM 0 HA ALA A 982 17.096 -7.969 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 982 17.852 -6.154 3.862 1.00 0.00 H new ATOM 0 HB2 ALA A 982 18.932 -7.566 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 982 19.419 -6.121 3.020 1.00 0.00 H new ATOM 1082 N GLN A 983 18.236 -5.508 0.494 1.00 0.00 N ATOM 1083 CA GLN A 983 17.841 -4.411 -0.377 1.00 0.00 C ATOM 1084 C GLN A 983 16.832 -4.878 -1.418 1.00 0.00 C ATOM 1085 O GLN A 983 15.763 -4.286 -1.572 1.00 0.00 O ATOM 1086 CB GLN A 983 19.069 -3.813 -1.067 1.00 0.00 C ATOM 1087 CG GLN A 983 19.435 -2.432 -0.553 1.00 0.00 C ATOM 1088 CD GLN A 983 19.762 -2.416 0.929 1.00 0.00 C ATOM 1089 OE1 GLN A 983 18.873 -2.279 1.769 1.00 0.00 O ATOM 1090 NE2 GLN A 983 21.037 -2.527 1.258 1.00 0.00 N ATOM 0 H GLN A 983 19.238 -5.698 0.500 1.00 0.00 H new ATOM 0 HA GLN A 983 17.370 -3.644 0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 983 19.918 -4.482 -0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 983 18.883 -3.756 -2.139 1.00 0.00 H new ATOM 0 HG2 GLN A 983 20.293 -2.058 -1.112 1.00 0.00 H new ATOM 0 HG3 GLN A 983 18.608 -1.749 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 983 21.743 -2.639 0.531 1.00 0.00 H new ATOM 0 HE22 GLN A 983 21.315 -2.501 2.239 1.00 0.00 H new ATOM 1099 N LEU A 984 17.167 -5.955 -2.110 1.00 0.00 N ATOM 1100 CA LEU A 984 16.311 -6.510 -3.131 1.00 0.00 C ATOM 1101 C LEU A 984 15.027 -7.071 -2.525 1.00 0.00 C ATOM 1102 O LEU A 984 13.977 -7.070 -3.164 1.00 0.00 O ATOM 1103 CB LEU A 984 17.094 -7.588 -3.865 1.00 0.00 C ATOM 1104 CG LEU A 984 16.373 -8.297 -4.997 1.00 0.00 C ATOM 1105 CD1 LEU A 984 15.831 -7.302 -6.013 1.00 0.00 C ATOM 1106 CD2 LEU A 984 17.336 -9.264 -5.650 1.00 0.00 C ATOM 0 H LEU A 984 18.040 -6.464 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 984 16.010 -5.731 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 984 18.001 -7.136 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 984 17.407 -8.337 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 984 15.518 -8.842 -4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 984 15.320 -7.839 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 984 15.129 -6.627 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 984 16.655 -6.726 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 984 16.833 -9.782 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 984 18.193 -8.716 -6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 984 17.677 -9.992 -4.913 1.00 0.00 H new ATOM 1118 N ALA A 985 15.109 -7.526 -1.279 1.00 0.00 N ATOM 1119 CA ALA A 985 13.936 -8.015 -0.568 1.00 0.00 C ATOM 1120 C ALA A 985 12.926 -6.892 -0.376 1.00 0.00 C ATOM 1121 O ALA A 985 11.722 -7.098 -0.524 1.00 0.00 O ATOM 1122 CB ALA A 985 14.325 -8.610 0.775 1.00 0.00 C ATOM 0 H ALA A 985 15.975 -7.566 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 985 13.477 -8.800 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 985 13.432 -8.968 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A 985 15.012 -9.442 0.619 1.00 0.00 H new ATOM 0 HB3 ALA A 985 14.811 -7.847 1.384 1.00 0.00 H new ATOM 1128 N LEU A 986 13.426 -5.702 -0.054 1.00 0.00 N ATOM 1129 CA LEU A 986 12.576 -4.528 0.096 1.00 0.00 C ATOM 1130 C LEU A 986 11.987 -4.154 -1.264 1.00 0.00 C ATOM 1131 O LEU A 986 10.792 -3.891 -1.383 1.00 0.00 O ATOM 1132 CB LEU A 986 13.388 -3.356 0.675 1.00 0.00 C ATOM 1133 CG LEU A 986 12.593 -2.295 1.458 1.00 0.00 C ATOM 1134 CD1 LEU A 986 13.540 -1.295 2.101 1.00 0.00 C ATOM 1135 CD2 LEU A 986 11.600 -1.565 0.565 1.00 0.00 C ATOM 0 H LEU A 986 14.418 -5.527 0.108 1.00 0.00 H new ATOM 0 HA LEU A 986 11.763 -4.753 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 986 14.155 -3.764 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 986 13.905 -2.859 -0.146 1.00 0.00 H new ATOM 0 HG LEU A 986 12.030 -2.813 2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 986 12.964 -0.551 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 986 14.209 -1.816 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 986 14.127 -0.800 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 986 11.058 -0.824 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 986 12.136 -1.066 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 986 10.894 -2.281 0.144 1.00 0.00 H new ATOM 1147 N ILE A 987 12.838 -4.154 -2.287 1.00 0.00 N ATOM 1148 CA ILE A 987 12.410 -3.843 -3.651 1.00 0.00 C ATOM 1149 C ILE A 987 11.299 -4.789 -4.100 1.00 0.00 C ATOM 1150 O ILE A 987 10.253 -4.352 -4.587 1.00 0.00 O ATOM 1151 CB ILE A 987 13.594 -3.936 -4.640 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.707 -2.970 -4.225 1.00 0.00 C ATOM 1153 CG2 ILE A 987 13.133 -3.639 -6.065 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.986 -3.134 -5.017 1.00 0.00 C ATOM 0 H ILE A 987 13.832 -4.366 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 987 12.031 -2.821 -3.649 1.00 0.00 H new ATOM 0 HB ILE A 987 13.986 -4.953 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 987 14.349 -1.947 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.925 -3.115 -3.167 1.00 0.00 H new ATOM 0 HG21 ILE A 987 13.982 -3.710 -6.744 1.00 0.00 H new ATOM 0 HG22 ILE A 987 12.372 -4.361 -6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.715 -2.633 -6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.726 -2.415 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 987 16.370 -4.145 -4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.784 -2.959 -6.074 1.00 0.00 H new ATOM 1166 N ALA A 988 11.529 -6.084 -3.918 1.00 0.00 N ATOM 1167 CA ALA A 988 10.551 -7.099 -4.283 1.00 0.00 C ATOM 1168 C ALA A 988 9.277 -6.955 -3.457 1.00 0.00 C ATOM 1169 O ALA A 988 8.172 -7.050 -3.988 1.00 0.00 O ATOM 1170 CB ALA A 988 11.140 -8.492 -4.111 1.00 0.00 C ATOM 0 H ALA A 988 12.390 -6.456 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 988 10.292 -6.956 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 988 10.396 -9.239 -4.388 1.00 0.00 H new ATOM 0 HB2 ALA A 988 12.016 -8.598 -4.751 1.00 0.00 H new ATOM 0 HB3 ALA A 988 11.431 -8.638 -3.071 1.00 0.00 H new ATOM 1176 N ALA A 989 9.440 -6.707 -2.159 1.00 0.00 N ATOM 1177 CA ALA A 989 8.300 -6.540 -1.262 1.00 0.00 C ATOM 1178 C ALA A 989 7.452 -5.349 -1.680 1.00 0.00 C ATOM 1179 O ALA A 989 6.225 -5.414 -1.662 1.00 0.00 O ATOM 1180 CB ALA A 989 8.765 -6.376 0.178 1.00 0.00 C ATOM 0 H ALA A 989 10.349 -6.617 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 989 7.688 -7.439 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 989 7.899 -6.253 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 989 9.325 -7.260 0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 989 9.405 -5.497 0.256 1.00 0.00 H new ATOM 1186 N SER A 990 8.116 -4.266 -2.063 1.00 0.00 N ATOM 1187 CA SER A 990 7.432 -3.062 -2.506 1.00 0.00 C ATOM 1188 C SER A 990 6.538 -3.361 -3.703 1.00 0.00 C ATOM 1189 O SER A 990 5.359 -3.012 -3.709 1.00 0.00 O ATOM 1190 CB SER A 990 8.447 -1.977 -2.866 1.00 0.00 C ATOM 1191 OG SER A 990 9.280 -1.672 -1.763 1.00 0.00 O ATOM 0 H SER A 990 9.134 -4.199 -2.075 1.00 0.00 H new ATOM 0 HA SER A 990 6.807 -2.703 -1.688 1.00 0.00 H new ATOM 0 HB2 SER A 990 9.057 -2.310 -3.705 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.923 -1.078 -3.190 1.00 0.00 H new ATOM 0 HG SER A 990 9.953 -2.376 -1.657 1.00 0.00 H new ATOM 1197 N GLN A 991 7.096 -4.040 -4.700 1.00 0.00 N ATOM 1198 CA GLN A 991 6.350 -4.365 -5.909 1.00 0.00 C ATOM 1199 C GLN A 991 5.255 -5.384 -5.607 1.00 0.00 C ATOM 1200 O GLN A 991 4.163 -5.328 -6.177 1.00 0.00 O ATOM 1201 CB GLN A 991 7.292 -4.894 -6.992 1.00 0.00 C ATOM 1202 CG GLN A 991 8.445 -3.952 -7.303 1.00 0.00 C ATOM 1203 CD GLN A 991 9.279 -4.415 -8.480 1.00 0.00 C ATOM 1204 OE1 GLN A 991 8.768 -5.034 -9.411 1.00 0.00 O ATOM 1205 NE2 GLN A 991 10.571 -4.130 -8.446 1.00 0.00 N ATOM 0 H GLN A 991 8.059 -4.375 -4.694 1.00 0.00 H new ATOM 0 HA GLN A 991 5.878 -3.454 -6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 991 7.694 -5.856 -6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 991 6.722 -5.072 -7.904 1.00 0.00 H new ATOM 0 HG2 GLN A 991 8.050 -2.958 -7.512 1.00 0.00 H new ATOM 0 HG3 GLN A 991 9.083 -3.863 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 991 10.959 -3.614 -7.656 1.00 0.00 H new ATOM 0 HE22 GLN A 991 11.179 -4.426 -9.210 1.00 0.00 H new ATOM 1214 N SER A 992 5.543 -6.296 -4.686 1.00 0.00 N ATOM 1215 CA SER A 992 4.576 -7.300 -4.256 1.00 0.00 C ATOM 1216 C SER A 992 3.409 -6.640 -3.519 1.00 0.00 C ATOM 1217 O SER A 992 2.316 -7.193 -3.442 1.00 0.00 O ATOM 1218 CB SER A 992 5.262 -8.332 -3.351 1.00 0.00 C ATOM 1219 OG SER A 992 4.393 -9.407 -3.021 1.00 0.00 O ATOM 0 H SER A 992 6.447 -6.361 -4.219 1.00 0.00 H new ATOM 0 HA SER A 992 4.182 -7.807 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 992 6.148 -8.722 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 992 5.601 -7.845 -2.437 1.00 0.00 H new ATOM 0 HG SER A 992 3.840 -9.156 -2.252 1.00 0.00 H new ATOM 1225 N PHE A 993 3.654 -5.450 -2.984 1.00 0.00 N ATOM 1226 CA PHE A 993 2.634 -4.706 -2.259 1.00 0.00 C ATOM 1227 C PHE A 993 1.826 -3.830 -3.216 1.00 0.00 C ATOM 1228 O PHE A 993 0.645 -3.561 -2.986 1.00 0.00 O ATOM 1229 CB PHE A 993 3.294 -3.848 -1.180 1.00 0.00 C ATOM 1230 CG PHE A 993 2.326 -3.256 -0.199 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.687 -4.063 0.726 1.00 0.00 C ATOM 1232 CD2 PHE A 993 2.066 -1.898 -0.194 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.803 -3.525 1.639 1.00 0.00 C ATOM 1234 CE2 PHE A 993 1.182 -1.354 0.714 1.00 0.00 C ATOM 1235 CZ PHE A 993 0.551 -2.168 1.633 1.00 0.00 C ATOM 0 H PHE A 993 4.557 -4.978 -3.040 1.00 0.00 H new ATOM 0 HA PHE A 993 1.951 -5.411 -1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 993 4.019 -4.456 -0.639 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.849 -3.042 -1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.882 -5.125 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.560 -1.257 -0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 993 0.310 -4.164 2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.984 -0.292 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.139 -1.743 2.347 1.00 0.00 H new ATOM 1245 N LEU A 994 2.471 -3.406 -4.297 1.00 0.00 N ATOM 1246 CA LEU A 994 1.850 -2.528 -5.288 1.00 0.00 C ATOM 1247 C LEU A 994 0.669 -3.204 -5.976 1.00 0.00 C ATOM 1248 O LEU A 994 -0.368 -2.577 -6.202 1.00 0.00 O ATOM 1249 CB LEU A 994 2.879 -2.117 -6.343 1.00 0.00 C ATOM 1250 CG LEU A 994 4.086 -1.348 -5.812 1.00 0.00 C ATOM 1251 CD1 LEU A 994 5.149 -1.226 -6.889 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.669 0.028 -5.318 1.00 0.00 C ATOM 0 H LEU A 994 3.435 -3.659 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 994 1.483 -1.647 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.235 -3.015 -6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.380 -1.504 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 994 4.505 -1.901 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 994 6.004 -0.675 -6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.469 -2.221 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.738 -0.694 -7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.543 0.560 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 994 3.226 0.591 -6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.938 -0.079 -4.516 1.00 0.00 H new ATOM 1264 N GLN A 995 0.841 -4.479 -6.312 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.189 -5.241 -7.018 1.00 0.00 C ATOM 1266 C GLN A 995 -1.520 -5.258 -6.245 1.00 0.00 C ATOM 1267 O GLN A 995 -2.526 -4.763 -6.756 1.00 0.00 O ATOM 1268 CB GLN A 995 0.304 -6.667 -7.310 1.00 0.00 C ATOM 1269 CG GLN A 995 -0.746 -7.585 -7.926 1.00 0.00 C ATOM 1270 CD GLN A 995 -1.162 -7.179 -9.327 1.00 0.00 C ATOM 1271 OE1 GLN A 995 -1.150 -6.001 -9.684 1.00 0.00 O ATOM 1272 NE2 GLN A 995 -1.550 -8.154 -10.132 1.00 0.00 N ATOM 0 H GLN A 995 1.687 -5.010 -6.106 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.380 -4.741 -7.968 1.00 0.00 H new ATOM 0 HB2 GLN A 995 1.160 -6.611 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.658 -7.113 -6.381 1.00 0.00 H new ATOM 0 HG2 GLN A 995 -0.356 -8.603 -7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -1.627 -7.598 -7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 995 -1.547 -9.119 -9.802 1.00 0.00 H new ATOM 0 HE22 GLN A 995 -1.852 -7.941 -11.083 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.562 -5.802 -5.009 1.00 0.00 N ATOM 1282 CA PRO A 996 -2.799 -5.852 -4.226 1.00 0.00 C ATOM 1283 C PRO A 996 -3.221 -4.471 -3.743 1.00 0.00 C ATOM 1284 O PRO A 996 -4.407 -4.139 -3.735 1.00 0.00 O ATOM 1285 CB PRO A 996 -2.453 -6.749 -3.029 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.136 -7.366 -3.354 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.445 -6.406 -4.274 1.00 0.00 C ATOM 0 HA PRO A 996 -3.634 -6.228 -4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -2.397 -6.168 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -3.216 -7.512 -2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -0.549 -7.531 -2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -1.267 -8.337 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 996 0.128 -5.660 -3.724 1.00 0.00 H new ATOM 0 HD3 PRO A 996 0.251 -6.914 -4.941 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.236 -3.667 -3.353 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.512 -2.338 -2.846 1.00 0.00 C ATOM 1297 C GLY A 997 -3.217 -1.470 -3.867 1.00 0.00 C ATOM 1298 O GLY A 997 -4.256 -0.879 -3.573 1.00 0.00 O ATOM 0 H GLY A 997 -1.247 -3.916 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.127 -2.414 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.577 -1.862 -2.551 1.00 0.00 H new ATOM 1302 N GLY A 998 -2.664 -1.415 -5.074 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.243 -0.601 -6.126 1.00 0.00 C ATOM 1304 C GLY A 998 -4.645 -1.046 -6.484 1.00 0.00 C ATOM 1305 O GLY A 998 -5.510 -0.225 -6.790 1.00 0.00 O ATOM 0 H GLY A 998 -1.821 -1.922 -5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.264 0.441 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -2.610 -0.651 -7.012 1.00 0.00 H new ATOM 1309 N LYS A 999 -4.872 -2.350 -6.431 1.00 0.00 N ATOM 1310 CA LYS A 999 -6.182 -2.908 -6.722 1.00 0.00 C ATOM 1311 C LYS A 999 -7.183 -2.556 -5.630 1.00 0.00 C ATOM 1312 O LYS A 999 -8.363 -2.358 -5.907 1.00 0.00 O ATOM 1313 CB LYS A 999 -6.082 -4.420 -6.903 1.00 0.00 C ATOM 1314 CG LYS A 999 -5.525 -4.813 -8.260 1.00 0.00 C ATOM 1315 CD LYS A 999 -5.158 -6.284 -8.326 1.00 0.00 C ATOM 1316 CE LYS A 999 -4.834 -6.709 -9.751 1.00 0.00 C ATOM 1317 NZ LYS A 999 -3.920 -5.749 -10.430 1.00 0.00 N ATOM 0 H LYS A 999 -4.163 -3.042 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 999 -6.543 -2.470 -7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -5.446 -4.834 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -7.070 -4.863 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -6.262 -4.589 -9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -4.643 -4.210 -8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -4.299 -6.476 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -5.983 -6.885 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -4.375 -7.698 -9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -5.758 -6.794 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -3.673 -6.112 -11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -4.394 -4.828 -10.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -3.054 -5.635 -9.865 1.00 0.00 H new ATOM 1331 N MET A1000 -6.711 -2.451 -4.391 1.00 0.00 N ATOM 1332 CA MET A1000 -7.585 -2.077 -3.292 1.00 0.00 C ATOM 1333 C MET A1000 -7.906 -0.590 -3.374 1.00 0.00 C ATOM 1334 O MET A1000 -8.988 -0.158 -2.987 1.00 0.00 O ATOM 1335 CB MET A1000 -6.957 -2.419 -1.936 1.00 0.00 C ATOM 1336 CG MET A1000 -7.957 -2.382 -0.789 1.00 0.00 C ATOM 1337 SD MET A1000 -7.250 -2.918 0.780 1.00 0.00 S ATOM 1338 CE MET A1000 -6.103 -1.584 1.102 1.00 0.00 C ATOM 0 H MET A1000 -5.740 -2.618 -4.128 1.00 0.00 H new ATOM 0 HA MET A1000 -8.509 -2.649 -3.378 1.00 0.00 H new ATOM 0 HB2 MET A1000 -6.511 -3.412 -1.989 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.149 -1.717 -1.729 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.340 -1.367 -0.681 1.00 0.00 H new ATOM 0 HG3 MET A1000 -8.807 -3.019 -1.035 1.00 0.00 H new ATOM 0 HE1 MET A1000 -6.071 -1.382 2.173 1.00 0.00 H new ATOM 0 HE2 MET A1000 -5.109 -1.867 0.756 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.429 -0.688 0.574 1.00 0.00 H new ATOM 1348 N VAL A1001 -6.958 0.187 -3.894 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.198 1.598 -4.178 1.00 0.00 C ATOM 1350 C VAL A1001 -8.305 1.729 -5.216 1.00 0.00 C ATOM 1351 O VAL A1001 -9.277 2.464 -5.023 1.00 0.00 O ATOM 1352 CB VAL A1001 -5.930 2.307 -4.711 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -6.211 3.769 -5.012 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -4.786 2.186 -3.722 1.00 0.00 C ATOM 0 H VAL A1001 -6.019 -0.137 -4.126 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.488 2.074 -3.241 1.00 0.00 H new ATOM 0 HB VAL A1001 -5.639 1.814 -5.638 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -5.304 4.245 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -6.995 3.841 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.536 4.272 -4.101 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -3.906 2.692 -4.120 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -5.073 2.646 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.556 1.133 -3.559 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.149 0.990 -6.310 1.00 0.00 N ATOM 1365 CA ALA A1002 -9.139 0.962 -7.377 1.00 0.00 C ATOM 1366 C ALA A1002 -10.493 0.504 -6.849 1.00 0.00 C ATOM 1367 O ALA A1002 -11.531 1.067 -7.202 1.00 0.00 O ATOM 1368 CB ALA A1002 -8.670 0.044 -8.498 1.00 0.00 C ATOM 0 H ALA A1002 -7.337 0.397 -6.480 1.00 0.00 H new ATOM 0 HA ALA A1002 -9.253 1.973 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -9.416 0.029 -9.292 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -7.724 0.410 -8.896 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -8.534 -0.965 -8.109 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.468 -0.516 -6.002 1.00 0.00 N ATOM 1375 CA ALA A1003 -11.678 -1.043 -5.386 1.00 0.00 C ATOM 1376 C ALA A1003 -12.344 0.002 -4.501 1.00 0.00 C ATOM 1377 O ALA A1003 -13.550 0.232 -4.597 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.350 -2.286 -4.573 1.00 0.00 C ATOM 0 H ALA A1003 -9.614 -0.999 -5.724 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.376 -1.308 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.261 -2.673 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -10.921 -3.046 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -10.633 -2.032 -3.793 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.547 0.637 -3.647 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.052 1.638 -2.717 1.00 0.00 C ATOM 1386 C ALA A1004 -12.729 2.780 -3.458 1.00 0.00 C ATOM 1387 O ALA A1004 -13.871 3.126 -3.167 1.00 0.00 O ATOM 1388 CB ALA A1004 -10.920 2.167 -1.844 1.00 0.00 C ATOM 0 H ALA A1004 -10.542 0.474 -3.581 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.796 1.163 -2.078 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.312 2.914 -1.154 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.482 1.345 -1.278 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.156 2.621 -2.475 1.00 0.00 H new ATOM 1394 N LYS A1005 -12.028 3.335 -4.441 1.00 0.00 N ATOM 1395 CA LYS A1005 -12.536 4.468 -5.211 1.00 0.00 C ATOM 1396 C LYS A1005 -13.802 4.104 -5.975 1.00 0.00 C ATOM 1397 O LYS A1005 -14.655 4.955 -6.223 1.00 0.00 O ATOM 1398 CB LYS A1005 -11.472 4.962 -6.188 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.251 5.538 -5.493 1.00 0.00 C ATOM 1400 CD LYS A1005 -9.239 6.093 -6.480 1.00 0.00 C ATOM 1401 CE LYS A1005 -8.068 6.730 -5.752 1.00 0.00 C ATOM 1402 NZ LYS A1005 -7.069 7.310 -6.687 1.00 0.00 N ATOM 0 H LYS A1005 -11.101 3.017 -4.725 1.00 0.00 H new ATOM 0 HA LYS A1005 -12.781 5.262 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -11.163 4.136 -6.828 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -11.907 5.723 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -10.562 6.329 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -9.780 4.763 -4.889 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -8.879 5.293 -7.127 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -9.718 6.831 -7.123 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -8.438 7.512 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -7.583 5.982 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -6.289 7.733 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -6.695 6.561 -7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -7.523 8.043 -7.269 1.00 0.00 H new ATOM 1416 N ALA A1006 -13.919 2.841 -6.342 1.00 0.00 N ATOM 1417 CA ALA A1006 -15.070 2.371 -7.093 1.00 0.00 C ATOM 1418 C ALA A1006 -16.259 2.121 -6.171 1.00 0.00 C ATOM 1419 O ALA A1006 -17.412 2.175 -6.598 1.00 0.00 O ATOM 1420 CB ALA A1006 -14.702 1.117 -7.864 1.00 0.00 C ATOM 0 H ALA A1006 -13.229 2.120 -6.132 1.00 0.00 H new ATOM 0 HA ALA A1006 -15.366 3.143 -7.803 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -15.568 0.768 -8.426 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -13.888 1.340 -8.554 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -14.385 0.341 -7.167 1.00 0.00 H new ATOM 1426 N SER A1007 -15.969 1.862 -4.904 1.00 0.00 N ATOM 1427 CA SER A1007 -17.010 1.619 -3.919 1.00 0.00 C ATOM 1428 C SER A1007 -17.525 2.938 -3.346 1.00 0.00 C ATOM 1429 O SER A1007 -18.659 3.012 -2.874 1.00 0.00 O ATOM 1430 CB SER A1007 -16.477 0.723 -2.797 1.00 0.00 C ATOM 1431 OG SER A1007 -17.498 0.393 -1.870 1.00 0.00 O ATOM 0 H SER A1007 -15.019 1.815 -4.535 1.00 0.00 H new ATOM 0 HA SER A1007 -17.840 1.110 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A1007 -16.062 -0.190 -3.224 1.00 0.00 H new ATOM 0 HB3 SER A1007 -15.663 1.231 -2.279 1.00 0.00 H new ATOM 0 HG SER A1007 -17.128 -0.181 -1.167 1.00 0.00 H new ATOM 1437 N VAL A1008 -16.693 3.975 -3.411 1.00 0.00 N ATOM 1438 CA VAL A1008 -17.038 5.294 -2.870 1.00 0.00 C ATOM 1439 C VAL A1008 -18.401 5.805 -3.375 1.00 0.00 C ATOM 1440 O VAL A1008 -19.262 6.149 -2.563 1.00 0.00 O ATOM 1441 CB VAL A1008 -15.938 6.342 -3.180 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -16.374 7.737 -2.758 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -14.636 5.973 -2.483 1.00 0.00 C ATOM 0 H VAL A1008 -15.767 3.929 -3.836 1.00 0.00 H new ATOM 0 HA VAL A1008 -17.110 5.164 -1.790 1.00 0.00 H new ATOM 0 HB VAL A1008 -15.776 6.343 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -15.583 8.451 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -17.280 8.014 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -16.572 7.748 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -13.876 6.720 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -14.797 5.938 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.301 4.996 -2.831 1.00 0.00 H new ATOM 1453 N PRO A1009 -18.639 5.858 -4.704 1.00 0.00 N ATOM 1454 CA PRO A1009 -19.898 6.386 -5.243 1.00 0.00 C ATOM 1455 C PRO A1009 -21.086 5.453 -5.012 1.00 0.00 C ATOM 1456 O PRO A1009 -22.238 5.857 -5.155 1.00 0.00 O ATOM 1457 CB PRO A1009 -19.613 6.533 -6.738 1.00 0.00 C ATOM 1458 CG PRO A1009 -18.562 5.521 -7.026 1.00 0.00 C ATOM 1459 CD PRO A1009 -17.723 5.429 -5.782 1.00 0.00 C ATOM 0 HA PRO A1009 -20.182 7.317 -4.753 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -20.509 6.352 -7.331 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -19.270 7.539 -6.978 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -19.006 4.556 -7.269 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -17.958 5.819 -7.883 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -17.361 4.414 -5.618 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -16.847 6.074 -5.842 1.00 0.00 H new ATOM 1467 N THR A1010 -20.807 4.206 -4.652 1.00 0.00 N ATOM 1468 CA THR A1010 -21.867 3.231 -4.432 1.00 0.00 C ATOM 1469 C THR A1010 -22.246 3.144 -2.954 1.00 0.00 C ATOM 1470 O THR A1010 -23.140 2.388 -2.573 1.00 0.00 O ATOM 1471 CB THR A1010 -21.469 1.838 -4.964 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.177 1.464 -4.469 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.450 1.832 -6.484 1.00 0.00 C ATOM 0 H THR A1010 -19.863 3.848 -4.507 1.00 0.00 H new ATOM 0 HA THR A1010 -22.739 3.574 -4.989 1.00 0.00 H new ATOM 0 HB THR A1010 -22.209 1.118 -4.614 1.00 0.00 H new ATOM 0 HG1 THR A1010 -19.916 2.071 -3.745 1.00 0.00 H new ATOM 0 HG21 THR A1010 -21.167 0.841 -6.840 1.00 0.00 H new ATOM 0 HG22 THR A1010 -22.441 2.084 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A1010 -20.728 2.566 -6.842 1.00 0.00 H new ATOM 1481 N ILE A1011 -21.564 3.924 -2.124 1.00 0.00 N ATOM 1482 CA ILE A1011 -21.889 4.003 -0.706 1.00 0.00 C ATOM 1483 C ILE A1011 -22.899 5.120 -0.477 1.00 0.00 C ATOM 1484 O ILE A1011 -22.764 6.207 -1.039 1.00 0.00 O ATOM 1485 CB ILE A1011 -20.626 4.260 0.151 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -19.642 3.098 0.009 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -20.992 4.465 1.615 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -18.341 3.313 0.745 1.00 0.00 C ATOM 0 H ILE A1011 -20.781 4.512 -2.410 1.00 0.00 H new ATOM 0 HA ILE A1011 -22.314 3.047 -0.401 1.00 0.00 H new ATOM 0 HB ILE A1011 -20.150 5.171 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -20.113 2.187 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -19.430 2.940 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -20.086 4.644 2.195 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -21.657 5.324 1.707 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -21.495 3.575 1.992 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -17.693 2.449 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -17.848 4.205 0.359 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -18.542 3.441 1.809 1.00 0.00 H new ATOM 1500 N GLN A1012 -23.916 4.854 0.334 1.00 0.00 N ATOM 1501 CA GLN A1012 -24.953 5.843 0.594 1.00 0.00 C ATOM 1502 C GLN A1012 -24.449 6.904 1.563 1.00 0.00 C ATOM 1503 O GLN A1012 -24.794 8.083 1.451 1.00 0.00 O ATOM 1504 CB GLN A1012 -26.210 5.178 1.161 1.00 0.00 C ATOM 1505 CG GLN A1012 -26.801 4.109 0.258 1.00 0.00 C ATOM 1506 CD GLN A1012 -27.039 4.605 -1.151 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -26.175 4.481 -2.019 1.00 0.00 O ATOM 1508 NE2 GLN A1012 -28.209 5.167 -1.391 1.00 0.00 N ATOM 0 H GLN A1012 -24.044 3.967 0.820 1.00 0.00 H new ATOM 0 HA GLN A1012 -25.207 6.319 -0.353 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -25.969 4.732 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -26.964 5.944 1.343 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -26.129 3.251 0.229 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -27.744 3.761 0.681 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -28.898 5.250 -0.643 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -28.424 5.518 -2.324 1.00 0.00 H new ATOM 1517 N ASP A1013 -23.629 6.478 2.512 1.00 0.00 N ATOM 1518 CA ASP A1013 -23.101 7.376 3.528 1.00 0.00 C ATOM 1519 C ASP A1013 -21.870 8.107 3.002 1.00 0.00 C ATOM 1520 O ASP A1013 -20.805 7.511 2.831 1.00 0.00 O ATOM 1521 CB ASP A1013 -22.757 6.592 4.794 1.00 0.00 C ATOM 1522 CG ASP A1013 -22.424 7.497 5.961 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -23.347 7.873 6.709 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -21.232 7.838 6.130 1.00 0.00 O ATOM 0 H ASP A1013 -23.314 5.512 2.600 1.00 0.00 H new ATOM 0 HA ASP A1013 -23.863 8.117 3.772 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -23.598 5.953 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -21.910 5.936 4.593 1.00 0.00 H new ATOM 1529 N GLN A1014 -22.021 9.399 2.745 1.00 0.00 N ATOM 1530 CA GLN A1014 -20.956 10.186 2.128 1.00 0.00 C ATOM 1531 C GLN A1014 -19.783 10.395 3.080 1.00 0.00 C ATOM 1532 O GLN A1014 -18.645 10.574 2.642 1.00 0.00 O ATOM 1533 CB GLN A1014 -21.496 11.529 1.631 1.00 0.00 C ATOM 1534 CG GLN A1014 -22.214 12.342 2.690 1.00 0.00 C ATOM 1535 CD GLN A1014 -22.883 13.571 2.114 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -22.292 14.647 2.055 1.00 0.00 O ATOM 1537 NE2 GLN A1014 -24.118 13.417 1.670 1.00 0.00 N ATOM 0 H GLN A1014 -22.869 9.926 2.953 1.00 0.00 H new ATOM 0 HA GLN A1014 -20.585 9.622 1.272 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -20.667 12.118 1.237 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -22.180 11.348 0.802 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -22.963 11.718 3.178 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -21.502 12.645 3.458 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -24.574 12.507 1.737 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -24.615 14.208 1.260 1.00 0.00 H new ATOM 1546 N ALA A1015 -20.051 10.360 4.379 1.00 0.00 N ATOM 1547 CA ALA A1015 -18.989 10.461 5.369 1.00 0.00 C ATOM 1548 C ALA A1015 -18.105 9.222 5.309 1.00 0.00 C ATOM 1549 O ALA A1015 -16.883 9.303 5.431 1.00 0.00 O ATOM 1550 CB ALA A1015 -19.570 10.643 6.764 1.00 0.00 C ATOM 0 H ALA A1015 -20.989 10.263 4.769 1.00 0.00 H new ATOM 0 HA ALA A1015 -18.380 11.336 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -18.759 10.716 7.489 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -20.167 11.555 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -20.200 9.789 7.010 1.00 0.00 H new ATOM 1556 N SER A1016 -18.729 8.078 5.100 1.00 0.00 N ATOM 1557 CA SER A1016 -18.001 6.835 4.923 1.00 0.00 C ATOM 1558 C SER A1016 -17.318 6.809 3.557 1.00 0.00 C ATOM 1559 O SER A1016 -16.218 6.274 3.408 1.00 0.00 O ATOM 1560 CB SER A1016 -18.954 5.652 5.070 1.00 0.00 C ATOM 1561 OG SER A1016 -19.604 5.686 6.331 1.00 0.00 O ATOM 0 H SER A1016 -19.743 7.984 5.048 1.00 0.00 H new ATOM 0 HA SER A1016 -17.230 6.762 5.690 1.00 0.00 H new ATOM 0 HB2 SER A1016 -19.696 5.675 4.272 1.00 0.00 H new ATOM 0 HB3 SER A1016 -18.402 4.718 4.965 1.00 0.00 H new ATOM 0 HG SER A1016 -20.164 6.488 6.389 1.00 0.00 H new ATOM 1567 N ALA A1017 -17.968 7.409 2.567 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.412 7.496 1.225 1.00 0.00 C ATOM 1569 C ALA A1017 -16.131 8.330 1.215 1.00 0.00 C ATOM 1570 O ALA A1017 -15.132 7.940 0.609 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.438 8.083 0.269 1.00 0.00 C ATOM 0 H ALA A1017 -18.885 7.844 2.671 1.00 0.00 H new ATOM 0 HA ALA A1017 -17.159 6.489 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.010 8.143 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.322 7.446 0.248 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -18.718 9.082 0.604 1.00 0.00 H new ATOM 1577 N MET A1018 -16.157 9.466 1.907 1.00 0.00 N ATOM 1578 CA MET A1018 -14.985 10.335 1.985 1.00 0.00 C ATOM 1579 C MET A1018 -13.882 9.667 2.805 1.00 0.00 C ATOM 1580 O MET A1018 -12.701 9.956 2.620 1.00 0.00 O ATOM 1581 CB MET A1018 -15.342 11.703 2.586 1.00 0.00 C ATOM 1582 CG MET A1018 -15.648 11.673 4.074 1.00 0.00 C ATOM 1583 SD MET A1018 -16.008 13.307 4.748 1.00 0.00 S ATOM 1584 CE MET A1018 -14.442 14.138 4.481 1.00 0.00 C ATOM 0 H MET A1018 -16.971 9.805 2.419 1.00 0.00 H new ATOM 0 HA MET A1018 -14.622 10.499 0.970 1.00 0.00 H new ATOM 0 HB2 MET A1018 -14.514 12.390 2.411 1.00 0.00 H new ATOM 0 HB3 MET A1018 -16.207 12.104 2.057 1.00 0.00 H new ATOM 0 HG2 MET A1018 -16.500 11.016 4.252 1.00 0.00 H new ATOM 0 HG3 MET A1018 -14.799 11.245 4.606 1.00 0.00 H new ATOM 0 HE1 MET A1018 -14.366 14.994 5.151 1.00 0.00 H new ATOM 0 HE2 MET A1018 -13.624 13.446 4.682 1.00 0.00 H new ATOM 0 HE3 MET A1018 -14.383 14.480 3.448 1.00 0.00 H new ATOM 1594 N GLN A1019 -14.279 8.767 3.699 1.00 0.00 N ATOM 1595 CA GLN A1019 -13.328 8.007 4.502 1.00 0.00 C ATOM 1596 C GLN A1019 -12.506 7.083 3.607 1.00 0.00 C ATOM 1597 O GLN A1019 -11.278 7.024 3.714 1.00 0.00 O ATOM 1598 CB GLN A1019 -14.070 7.202 5.572 1.00 0.00 C ATOM 1599 CG GLN A1019 -13.176 6.291 6.396 1.00 0.00 C ATOM 1600 CD GLN A1019 -13.944 5.531 7.458 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -14.465 4.443 7.210 1.00 0.00 O ATOM 1602 NE2 GLN A1019 -14.016 6.094 8.654 1.00 0.00 N ATOM 0 H GLN A1019 -15.257 8.546 3.886 1.00 0.00 H new ATOM 0 HA GLN A1019 -12.649 8.699 4.999 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -14.581 7.893 6.242 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -14.839 6.599 5.089 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -12.678 5.582 5.735 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -12.396 6.886 6.872 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -13.571 6.997 8.820 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -14.516 5.625 9.409 1.00 0.00 H new ATOM 1611 N LEU A1020 -13.190 6.379 2.712 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.518 5.527 1.738 1.00 0.00 C ATOM 1613 C LEU A1020 -11.670 6.357 0.786 1.00 0.00 C ATOM 1614 O LEU A1020 -10.540 5.987 0.473 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.531 4.701 0.942 1.00 0.00 C ATOM 1616 CG LEU A1020 -13.859 3.331 1.532 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -14.914 2.628 0.696 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -12.600 2.482 1.612 1.00 0.00 C ATOM 0 H LEU A1020 -14.208 6.381 2.641 1.00 0.00 H new ATOM 0 HA LEU A1020 -11.867 4.848 2.288 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -14.455 5.273 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -13.148 4.561 -0.069 1.00 0.00 H new ATOM 0 HG LEU A1020 -14.255 3.472 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -15.134 1.654 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -15.822 3.230 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -14.544 2.495 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -12.845 1.507 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -12.185 2.351 0.612 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -11.866 2.978 2.247 1.00 0.00 H new ATOM 1630 N SER A1021 -12.217 7.482 0.339 1.00 0.00 N ATOM 1631 CA SER A1021 -11.513 8.355 -0.589 1.00 0.00 C ATOM 1632 C SER A1021 -10.212 8.869 0.027 1.00 0.00 C ATOM 1633 O SER A1021 -9.173 8.886 -0.632 1.00 0.00 O ATOM 1634 CB SER A1021 -12.407 9.528 -1.001 1.00 0.00 C ATOM 1635 OG SER A1021 -11.787 10.316 -2.004 1.00 0.00 O ATOM 0 H SER A1021 -13.146 7.810 0.605 1.00 0.00 H new ATOM 0 HA SER A1021 -11.264 7.776 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A1021 -13.361 9.150 -1.369 1.00 0.00 H new ATOM 0 HB3 SER A1021 -12.624 10.147 -0.130 1.00 0.00 H new ATOM 0 HG SER A1021 -12.379 11.057 -2.250 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.268 9.269 1.296 1.00 0.00 N ATOM 1642 CA GLN A1022 -9.087 9.762 1.996 1.00 0.00 C ATOM 1643 C GLN A1022 -8.002 8.692 2.047 1.00 0.00 C ATOM 1644 O GLN A1022 -6.839 8.953 1.726 1.00 0.00 O ATOM 1645 CB GLN A1022 -9.455 10.200 3.418 1.00 0.00 C ATOM 1646 CG GLN A1022 -8.267 10.688 4.237 1.00 0.00 C ATOM 1647 CD GLN A1022 -8.667 11.146 5.626 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -9.780 11.630 5.837 1.00 0.00 O ATOM 1649 NE2 GLN A1022 -7.771 10.986 6.586 1.00 0.00 N ATOM 0 H GLN A1022 -11.119 9.261 1.859 1.00 0.00 H new ATOM 0 HA GLN A1022 -8.702 10.621 1.447 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.198 10.996 3.362 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -9.923 9.363 3.936 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -7.533 9.886 4.320 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -7.782 11.511 3.712 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -6.860 10.581 6.371 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -7.991 11.267 7.541 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.391 7.488 2.436 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.459 6.378 2.541 1.00 0.00 C ATOM 1660 C CYS A1023 -6.886 6.012 1.172 1.00 0.00 C ATOM 1661 O CYS A1023 -5.674 5.874 1.017 1.00 0.00 O ATOM 1662 CB CYS A1023 -8.156 5.171 3.164 1.00 0.00 C ATOM 1663 SG CYS A1023 -8.891 5.506 4.781 1.00 0.00 S ATOM 0 H CYS A1023 -9.352 7.255 2.685 1.00 0.00 H new ATOM 0 HA CYS A1023 -6.631 6.683 3.182 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -8.936 4.824 2.486 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -7.436 4.359 3.264 1.00 0.00 H new ATOM 0 HG CYS A1023 -9.989 6.184 4.626 1.00 0.00 H new ATOM 1669 N ALA A1024 -7.763 5.888 0.181 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.351 5.515 -1.167 1.00 0.00 C ATOM 1671 C ALA A1024 -6.456 6.581 -1.791 1.00 0.00 C ATOM 1672 O ALA A1024 -5.521 6.263 -2.527 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.569 5.270 -2.044 1.00 0.00 C ATOM 0 H ALA A1024 -8.766 6.041 0.287 1.00 0.00 H new ATOM 0 HA ALA A1024 -6.774 4.593 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.245 4.992 -3.047 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.167 4.463 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.169 6.178 -2.095 1.00 0.00 H new ATOM 1679 N LYS A1025 -6.744 7.845 -1.499 1.00 0.00 N ATOM 1680 CA LYS A1025 -5.946 8.951 -2.016 1.00 0.00 C ATOM 1681 C LYS A1025 -4.516 8.867 -1.494 1.00 0.00 C ATOM 1682 O LYS A1025 -3.556 8.998 -2.256 1.00 0.00 O ATOM 1683 CB LYS A1025 -6.578 10.295 -1.638 1.00 0.00 C ATOM 1684 CG LYS A1025 -5.815 11.501 -2.166 1.00 0.00 C ATOM 1685 CD LYS A1025 -6.576 12.798 -1.933 1.00 0.00 C ATOM 1686 CE LYS A1025 -6.815 13.062 -0.454 1.00 0.00 C ATOM 1687 NZ LYS A1025 -7.579 14.318 -0.235 1.00 0.00 N ATOM 0 H LYS A1025 -7.524 8.129 -0.907 1.00 0.00 H new ATOM 0 HA LYS A1025 -5.921 8.878 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -7.598 10.326 -2.020 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -6.642 10.364 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -4.842 11.558 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -5.629 11.375 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -6.017 13.629 -2.364 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -7.533 12.755 -2.453 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -7.360 12.224 -0.018 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -5.858 13.124 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -7.722 14.464 0.785 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -7.047 15.121 -0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -8.503 14.249 -0.708 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.381 8.622 -0.197 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.066 8.491 0.417 1.00 0.00 C ATOM 1703 C ASN A1026 -2.354 7.242 -0.090 1.00 0.00 C ATOM 1704 O ASN A1026 -1.227 7.320 -0.574 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.174 8.450 1.944 1.00 0.00 C ATOM 1706 CG ASN A1026 -3.362 9.824 2.559 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -2.391 10.510 2.875 1.00 0.00 O ATOM 1708 ND2 ASN A1026 -4.608 10.235 2.737 1.00 0.00 N ATOM 0 H ASN A1026 -5.163 8.510 0.448 1.00 0.00 H new ATOM 0 HA ASN A1026 -2.480 9.366 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -4.012 7.813 2.227 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -2.273 7.994 2.355 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -4.789 11.150 3.149 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -5.387 9.636 2.462 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.030 6.101 0.003 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.473 4.821 -0.429 1.00 0.00 C ATOM 1717 C LEU A1027 -2.032 4.872 -1.889 1.00 0.00 C ATOM 1718 O LEU A1027 -0.925 4.455 -2.225 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.506 3.704 -0.223 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.054 2.300 -0.640 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -1.815 1.883 0.134 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.179 1.295 -0.427 1.00 0.00 C ATOM 0 H LEU A1027 -3.976 6.036 0.378 1.00 0.00 H new ATOM 0 HA LEU A1027 -1.592 4.612 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -3.783 3.679 0.831 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.406 3.958 -0.783 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.803 2.321 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.511 0.884 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.007 2.587 -0.066 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.037 1.879 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -3.842 0.303 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.458 1.279 0.626 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.042 1.583 -1.027 1.00 0.00 H new ATOM 1734 N GLY A1028 -2.897 5.397 -2.749 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.584 5.490 -4.165 1.00 0.00 C ATOM 1736 C GLY A1028 -1.347 6.323 -4.439 1.00 0.00 C ATOM 1737 O GLY A1028 -0.532 5.974 -5.292 1.00 0.00 O ATOM 0 H GLY A1028 -3.814 5.762 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.438 4.487 -4.567 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.433 5.924 -4.693 1.00 0.00 H new ATOM 1741 N THR A1029 -1.199 7.421 -3.709 1.00 0.00 N ATOM 1742 CA THR A1029 -0.047 8.297 -3.872 1.00 0.00 C ATOM 1743 C THR A1029 1.193 7.679 -3.226 1.00 0.00 C ATOM 1744 O THR A1029 2.308 7.814 -3.735 1.00 0.00 O ATOM 1745 CB THR A1029 -0.321 9.678 -3.249 1.00 0.00 C ATOM 1746 OG1 THR A1029 -1.578 10.183 -3.721 1.00 0.00 O ATOM 1747 CG2 THR A1029 0.780 10.671 -3.591 1.00 0.00 C ATOM 0 H THR A1029 -1.863 7.726 -2.998 1.00 0.00 H new ATOM 0 HA THR A1029 0.132 8.421 -4.940 1.00 0.00 H new ATOM 0 HB THR A1029 -0.350 9.556 -2.166 1.00 0.00 H new ATOM 0 HG1 THR A1029 -2.308 9.772 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A1029 0.555 11.635 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A1029 1.733 10.303 -3.210 1.00 0.00 H new ATOM 0 HG23 THR A1029 0.842 10.787 -4.673 1.00 0.00 H new ATOM 1755 N ALA A1030 0.987 6.992 -2.109 1.00 0.00 N ATOM 1756 CA ALA A1030 2.063 6.293 -1.421 1.00 0.00 C ATOM 1757 C ALA A1030 2.654 5.218 -2.321 1.00 0.00 C ATOM 1758 O ALA A1030 3.869 5.125 -2.485 1.00 0.00 O ATOM 1759 CB ALA A1030 1.546 5.685 -0.124 1.00 0.00 C ATOM 0 H ALA A1030 0.076 6.904 -1.658 1.00 0.00 H new ATOM 0 HA ALA A1030 2.850 7.007 -1.179 1.00 0.00 H new ATOM 0 HB1 ALA A1030 2.358 5.164 0.383 1.00 0.00 H new ATOM 0 HB2 ALA A1030 1.163 6.476 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.746 4.979 -0.347 1.00 0.00 H new ATOM 1765 N LEU A1031 1.779 4.420 -2.922 1.00 0.00 N ATOM 1766 CA LEU A1031 2.197 3.379 -3.850 1.00 0.00 C ATOM 1767 C LEU A1031 2.811 3.992 -5.100 1.00 0.00 C ATOM 1768 O LEU A1031 3.715 3.417 -5.704 1.00 0.00 O ATOM 1769 CB LEU A1031 1.007 2.504 -4.236 1.00 0.00 C ATOM 1770 CG LEU A1031 0.359 1.743 -3.080 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -0.889 1.026 -3.557 1.00 0.00 C ATOM 1772 CD2 LEU A1031 1.341 0.754 -2.473 1.00 0.00 C ATOM 0 H LEU A1031 0.770 4.476 -2.781 1.00 0.00 H new ATOM 0 HA LEU A1031 2.948 2.762 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.251 3.133 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.334 1.784 -4.986 1.00 0.00 H new ATOM 0 HG LEU A1031 0.076 2.460 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.341 0.488 -2.723 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.600 1.754 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -0.625 0.320 -4.344 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.861 0.222 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.655 0.039 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A1031 2.212 1.290 -2.098 1.00 0.00 H new ATOM 1784 N ALA A1032 2.318 5.166 -5.475 1.00 0.00 N ATOM 1785 CA ALA A1032 2.819 5.884 -6.638 1.00 0.00 C ATOM 1786 C ALA A1032 4.322 6.133 -6.526 1.00 0.00 C ATOM 1787 O ALA A1032 5.082 5.837 -7.451 1.00 0.00 O ATOM 1788 CB ALA A1032 2.069 7.200 -6.801 1.00 0.00 C ATOM 0 H ALA A1032 1.563 5.644 -4.983 1.00 0.00 H new ATOM 0 HA ALA A1032 2.649 5.268 -7.521 1.00 0.00 H new ATOM 0 HB1 ALA A1032 2.450 7.730 -7.673 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.006 6.999 -6.935 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.213 7.814 -5.912 1.00 0.00 H new ATOM 1794 N GLU A1033 4.757 6.654 -5.387 1.00 0.00 N ATOM 1795 CA GLU A1033 6.168 6.945 -5.193 1.00 0.00 C ATOM 1796 C GLU A1033 6.929 5.711 -4.729 1.00 0.00 C ATOM 1797 O GLU A1033 8.143 5.629 -4.901 1.00 0.00 O ATOM 1798 CB GLU A1033 6.361 8.103 -4.216 1.00 0.00 C ATOM 1799 CG GLU A1033 5.660 7.932 -2.882 1.00 0.00 C ATOM 1800 CD GLU A1033 5.754 9.186 -2.044 1.00 0.00 C ATOM 1801 OE1 GLU A1033 5.037 10.163 -2.342 1.00 0.00 O ATOM 1802 OE2 GLU A1033 6.516 9.183 -1.054 1.00 0.00 O ATOM 0 H GLU A1033 4.160 6.881 -4.592 1.00 0.00 H new ATOM 0 HA GLU A1033 6.577 7.245 -6.157 1.00 0.00 H new ATOM 0 HB2 GLU A1033 7.428 8.234 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A1033 6.002 9.019 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A1033 4.612 7.682 -3.049 1.00 0.00 H new ATOM 0 HG3 GLU A1033 6.104 7.097 -2.340 1.00 0.00 H new ATOM 1809 N LEU A1034 6.218 4.753 -4.148 1.00 0.00 N ATOM 1810 CA LEU A1034 6.819 3.479 -3.772 1.00 0.00 C ATOM 1811 C LEU A1034 7.231 2.710 -5.023 1.00 0.00 C ATOM 1812 O LEU A1034 8.340 2.186 -5.106 1.00 0.00 O ATOM 1813 CB LEU A1034 5.845 2.646 -2.934 1.00 0.00 C ATOM 1814 CG LEU A1034 6.386 1.296 -2.457 1.00 0.00 C ATOM 1815 CD1 LEU A1034 7.612 1.490 -1.580 1.00 0.00 C ATOM 1816 CD2 LEU A1034 5.308 0.526 -1.708 1.00 0.00 C ATOM 0 H LEU A1034 5.226 4.833 -3.927 1.00 0.00 H new ATOM 0 HA LEU A1034 7.704 3.677 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.550 3.230 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A1034 4.943 2.471 -3.521 1.00 0.00 H new ATOM 0 HG LEU A1034 6.680 0.715 -3.331 1.00 0.00 H new ATOM 0 HD11 LEU A1034 7.981 0.519 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A1034 8.389 2.000 -2.149 1.00 0.00 H new ATOM 0 HD13 LEU A1034 7.346 2.090 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A1034 5.709 -0.431 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A1034 4.983 1.103 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A1034 4.458 0.354 -2.369 1.00 0.00 H new ATOM 1828 N ARG A1035 6.330 2.661 -5.998 1.00 0.00 N ATOM 1829 CA ARG A1035 6.612 2.022 -7.278 1.00 0.00 C ATOM 1830 C ARG A1035 7.770 2.725 -7.976 1.00 0.00 C ATOM 1831 O ARG A1035 8.638 2.082 -8.571 1.00 0.00 O ATOM 1832 CB ARG A1035 5.359 2.042 -8.162 1.00 0.00 C ATOM 1833 CG ARG A1035 5.584 1.500 -9.566 1.00 0.00 C ATOM 1834 CD ARG A1035 4.296 1.473 -10.371 1.00 0.00 C ATOM 1835 NE ARG A1035 3.418 0.366 -9.985 1.00 0.00 N ATOM 1836 CZ ARG A1035 2.102 0.486 -9.800 1.00 0.00 C ATOM 1837 NH1 ARG A1035 1.529 1.683 -9.833 1.00 0.00 N ATOM 1838 NH2 ARG A1035 1.363 -0.591 -9.567 1.00 0.00 N ATOM 0 H ARG A1035 5.393 3.058 -5.925 1.00 0.00 H new ATOM 0 HA ARG A1035 6.897 0.985 -7.100 1.00 0.00 H new ATOM 0 HB2 ARG A1035 4.576 1.457 -7.679 1.00 0.00 H new ATOM 0 HB3 ARG A1035 4.993 3.066 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A1035 6.322 2.116 -10.080 1.00 0.00 H new ATOM 0 HG3 ARG A1035 5.997 0.493 -9.506 1.00 0.00 H new ATOM 0 HD2 ARG A1035 3.767 2.416 -10.236 1.00 0.00 H new ATOM 0 HD3 ARG A1035 4.535 1.390 -11.431 1.00 0.00 H new ATOM 0 HE ARG A1035 3.838 -0.553 -9.849 1.00 0.00 H new ATOM 0 HH11 ARG A1035 2.095 2.515 -10.000 1.00 0.00 H new ATOM 0 HH12 ARG A1035 0.523 1.771 -9.691 1.00 0.00 H new ATOM 0 HH21 ARG A1035 1.801 -1.511 -9.529 1.00 0.00 H new ATOM 0 HH22 ARG A1035 0.357 -0.498 -9.426 1.00 0.00 H new ATOM 1852 N THR A1036 7.779 4.047 -7.887 1.00 0.00 N ATOM 1853 CA THR A1036 8.846 4.851 -8.462 1.00 0.00 C ATOM 1854 C THR A1036 10.181 4.546 -7.779 1.00 0.00 C ATOM 1855 O THR A1036 11.192 4.306 -8.443 1.00 0.00 O ATOM 1856 CB THR A1036 8.521 6.355 -8.333 1.00 0.00 C ATOM 1857 OG1 THR A1036 7.238 6.628 -8.921 1.00 0.00 O ATOM 1858 CG2 THR A1036 9.581 7.210 -9.012 1.00 0.00 C ATOM 0 H THR A1036 7.053 4.589 -7.418 1.00 0.00 H new ATOM 0 HA THR A1036 8.928 4.597 -9.519 1.00 0.00 H new ATOM 0 HB THR A1036 8.505 6.606 -7.272 1.00 0.00 H new ATOM 0 HG1 THR A1036 6.531 6.426 -8.273 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.323 8.263 -8.903 1.00 0.00 H new ATOM 0 HG22 THR A1036 10.550 7.024 -8.549 1.00 0.00 H new ATOM 0 HG23 THR A1036 9.630 6.956 -10.071 1.00 0.00 H new ATOM 1866 N ALA A1037 10.166 4.525 -6.450 1.00 0.00 N ATOM 1867 CA ALA A1037 11.369 4.278 -5.664 1.00 0.00 C ATOM 1868 C ALA A1037 11.906 2.871 -5.885 1.00 0.00 C ATOM 1869 O ALA A1037 13.106 2.681 -6.092 1.00 0.00 O ATOM 1870 CB ALA A1037 11.081 4.504 -4.190 1.00 0.00 C ATOM 0 H ALA A1037 9.326 4.677 -5.891 1.00 0.00 H new ATOM 0 HA ALA A1037 12.135 4.979 -5.995 1.00 0.00 H new ATOM 0 HB1 ALA A1037 11.985 4.317 -3.610 1.00 0.00 H new ATOM 0 HB2 ALA A1037 10.757 5.533 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A1037 10.294 3.824 -3.865 1.00 0.00 H new ATOM 1876 N ALA A1038 11.013 1.886 -5.845 1.00 0.00 N ATOM 1877 CA ALA A1038 11.402 0.491 -6.008 1.00 0.00 C ATOM 1878 C ALA A1038 12.005 0.251 -7.380 1.00 0.00 C ATOM 1879 O ALA A1038 12.939 -0.536 -7.527 1.00 0.00 O ATOM 1880 CB ALA A1038 10.214 -0.431 -5.785 1.00 0.00 C ATOM 0 H ALA A1038 10.014 2.030 -5.701 1.00 0.00 H new ATOM 0 HA ALA A1038 12.160 0.267 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A1038 10.529 -1.467 -5.912 1.00 0.00 H new ATOM 0 HB2 ALA A1038 9.828 -0.290 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.432 -0.198 -6.508 1.00 0.00 H new ATOM 1886 N GLN A1039 11.469 0.933 -8.385 1.00 0.00 N ATOM 1887 CA GLN A1039 11.999 0.826 -9.733 1.00 0.00 C ATOM 1888 C GLN A1039 13.433 1.335 -9.763 1.00 0.00 C ATOM 1889 O GLN A1039 14.333 0.624 -10.195 1.00 0.00 O ATOM 1890 CB GLN A1039 11.135 1.615 -10.720 1.00 0.00 C ATOM 1891 CG GLN A1039 11.479 1.358 -12.182 1.00 0.00 C ATOM 1892 CD GLN A1039 11.293 -0.095 -12.579 1.00 0.00 C ATOM 1893 OE1 GLN A1039 10.457 -0.804 -12.015 1.00 0.00 O ATOM 1894 NE2 GLN A1039 12.064 -0.552 -13.554 1.00 0.00 N ATOM 0 H GLN A1039 10.672 1.562 -8.290 1.00 0.00 H new ATOM 0 HA GLN A1039 11.984 -0.222 -10.032 1.00 0.00 H new ATOM 0 HB2 GLN A1039 10.088 1.363 -10.553 1.00 0.00 H new ATOM 0 HB3 GLN A1039 11.244 2.680 -10.513 1.00 0.00 H new ATOM 0 HG2 GLN A1039 10.852 1.987 -12.815 1.00 0.00 H new ATOM 0 HG3 GLN A1039 12.513 1.651 -12.365 1.00 0.00 H new ATOM 0 HE21 GLN A1039 12.745 0.065 -13.997 1.00 0.00 H new ATOM 0 HE22 GLN A1039 11.977 -1.521 -13.862 1.00 0.00 H new ATOM 1903 N LYS A1040 13.635 2.551 -9.257 1.00 0.00 N ATOM 1904 CA LYS A1040 14.954 3.180 -9.243 1.00 0.00 C ATOM 1905 C LYS A1040 15.984 2.313 -8.524 1.00 0.00 C ATOM 1906 O LYS A1040 17.088 2.101 -9.024 1.00 0.00 O ATOM 1907 CB LYS A1040 14.883 4.553 -8.572 1.00 0.00 C ATOM 1908 CG LYS A1040 14.018 5.554 -9.317 1.00 0.00 C ATOM 1909 CD LYS A1040 14.047 6.917 -8.646 1.00 0.00 C ATOM 1910 CE LYS A1040 13.275 7.954 -9.448 1.00 0.00 C ATOM 1911 NZ LYS A1040 13.808 8.103 -10.829 1.00 0.00 N ATOM 0 H LYS A1040 12.896 3.123 -8.849 1.00 0.00 H new ATOM 0 HA LYS A1040 15.270 3.296 -10.280 1.00 0.00 H new ATOM 0 HB2 LYS A1040 14.495 4.433 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A1040 15.892 4.955 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A1040 14.368 5.645 -10.345 1.00 0.00 H new ATOM 0 HG3 LYS A1040 12.992 5.190 -9.360 1.00 0.00 H new ATOM 0 HD2 LYS A1040 13.621 6.840 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A1040 15.080 7.243 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS A1040 12.224 7.667 -9.494 1.00 0.00 H new ATOM 0 HE3 LYS A1040 13.321 8.915 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 13.462 8.993 -11.240 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 14.848 8.115 -10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 13.487 7.304 -11.413 1.00 0.00 H new ATOM 1925 N ALA A1041 15.611 1.800 -7.356 1.00 0.00 N ATOM 1926 CA ALA A1041 16.509 0.975 -6.555 1.00 0.00 C ATOM 1927 C ALA A1041 16.823 -0.347 -7.252 1.00 0.00 C ATOM 1928 O ALA A1041 17.871 -0.953 -7.018 1.00 0.00 O ATOM 1929 CB ALA A1041 15.908 0.722 -5.183 1.00 0.00 C ATOM 0 H ALA A1041 14.690 1.942 -6.942 1.00 0.00 H new ATOM 0 HA ALA A1041 17.446 1.518 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA A1041 16.588 0.105 -4.596 1.00 0.00 H new ATOM 0 HB2 ALA A1041 15.750 1.673 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA A1041 14.954 0.206 -5.293 1.00 0.00 H new ATOM 1935 N GLN A1042 15.911 -0.784 -8.107 1.00 0.00 N ATOM 1936 CA GLN A1042 16.069 -2.033 -8.836 1.00 0.00 C ATOM 1937 C GLN A1042 16.890 -1.812 -10.112 1.00 0.00 C ATOM 1938 O GLN A1042 17.633 -2.696 -10.542 1.00 0.00 O ATOM 1939 CB GLN A1042 14.681 -2.619 -9.137 1.00 0.00 C ATOM 1940 CG GLN A1042 14.675 -3.885 -9.987 1.00 0.00 C ATOM 1941 CD GLN A1042 14.643 -3.582 -11.470 1.00 0.00 C ATOM 1942 OE1 GLN A1042 14.070 -2.442 -11.818 1.00 0.00 O flip ATOM 1943 NE2 GLN A1042 15.130 -4.354 -12.293 1.00 0.00 N flip ATOM 0 H GLN A1042 15.045 -0.286 -8.314 1.00 0.00 H new ATOM 0 HA GLN A1042 16.619 -2.750 -8.227 1.00 0.00 H new ATOM 0 HB2 GLN A1042 14.184 -2.834 -8.191 1.00 0.00 H new ATOM 0 HB3 GLN A1042 14.087 -1.859 -9.644 1.00 0.00 H new ATOM 0 HG2 GLN A1042 15.561 -4.477 -9.759 1.00 0.00 H new ATOM 0 HG3 GLN A1042 13.809 -4.492 -9.724 1.00 0.00 H new ATOM 0 HE21 GLN A1042 15.563 -5.224 -11.982 1.00 0.00 H new ATOM 0 HE22 GLN A1042 15.101 -4.125 -13.287 1.00 0.00 H new ATOM 1952 N GLU A1043 16.755 -0.627 -10.705 1.00 0.00 N ATOM 1953 CA GLU A1043 17.512 -0.271 -11.906 1.00 0.00 C ATOM 1954 C GLU A1043 18.993 -0.130 -11.585 1.00 0.00 C ATOM 1955 O GLU A1043 19.856 -0.438 -12.409 1.00 0.00 O ATOM 1956 CB GLU A1043 17.006 1.050 -12.494 1.00 0.00 C ATOM 1957 CG GLU A1043 15.535 1.041 -12.864 1.00 0.00 C ATOM 1958 CD GLU A1043 15.224 0.147 -14.046 1.00 0.00 C ATOM 1959 OE1 GLU A1043 15.262 -1.090 -13.898 1.00 0.00 O ATOM 1960 OE2 GLU A1043 14.920 0.682 -15.132 1.00 0.00 O ATOM 0 H GLU A1043 16.127 0.105 -10.373 1.00 0.00 H new ATOM 0 HA GLU A1043 17.371 -1.070 -12.633 1.00 0.00 H new ATOM 0 HB2 GLU A1043 17.183 1.848 -11.773 1.00 0.00 H new ATOM 0 HB3 GLU A1043 17.591 1.288 -13.382 1.00 0.00 H new ATOM 0 HG2 GLU A1043 14.952 0.711 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU A1043 15.218 2.059 -13.093 1.00 0.00 H new ATOM 1967 N ALA A1044 19.277 0.352 -10.386 1.00 0.00 N ATOM 1968 CA ALA A1044 20.642 0.594 -9.961 1.00 0.00 C ATOM 1969 C ALA A1044 21.247 -0.653 -9.323 1.00 0.00 C ATOM 1970 O ALA A1044 21.236 -0.758 -8.079 1.00 0.00 O ATOM 1971 CB ALA A1044 20.676 1.766 -8.995 1.00 0.00 C ATOM 1972 OXT ALA A1044 21.724 -1.530 -10.070 1.00 0.00 O ATOM 0 H ALA A1044 18.572 0.584 -9.686 1.00 0.00 H new ATOM 0 HA ALA A1044 21.243 0.839 -10.837 1.00 0.00 H new ATOM 0 HB1 ALA A1044 21.703 1.946 -8.677 1.00 0.00 H new ATOM 0 HB2 ALA A1044 20.288 2.657 -9.490 1.00 0.00 H new ATOM 0 HB3 ALA A1044 20.061 1.538 -8.124 1.00 0.00 H new TER 1978 ALA A1044