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 991 GLN : amide:sc= 0.3 K(o=0.59,f=-0.65) USER MOD Set 1.2: A1042 GLN :FLIP amide:sc= 0.286 F(o=-1.5,f=0.59) USER MOD Set 2.1: A 919 HIS : no HD1:sc= -0.0252 K(o=0.3,f=-0.46) USER MOD Set 2.2: A 923 GLN : amide:sc= 0.33 X(o=0.3,f=-0.15) USER MOD Set 3.1: A 912 THR OG1 : rot -125:sc= 0.748 USER MOD Set 3.2: A 915 GLN : amide:sc= 2.15 K(o=2.9,f=-4.8) USER MOD Single : A 922 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 927 SER OG : rot -82:sc= 1.13 USER MOD Single : A 929 THR OG1 : rot 78:sc= 0.766 USER MOD Single : A 930 GLN : amide:sc= -0.5 K(o=-0.5,f=-3.7!) USER MOD Single : A 931 THR OG1 : rot 74:sc= 0.694 USER MOD Single : A 936 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 937 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.014) USER MOD Single : A 940 SER OG : rot -39:sc= 1.21 USER MOD Single : A 943 LYS NZ :NH3+ 165:sc= -0.0519 (180deg=-0.347) USER MOD Single : A 945 SER OG : rot 180:sc= 0 USER MOD Single : A 949 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 954 GLN : amide:sc= -0.0817 K(o=-0.082,f=-0.7) USER MOD Single : A 955 SER OG : rot 76:sc= 1.23 USER MOD Single : A 956 CYS SG : rot -20:sc= 0.861 USER MOD Single : A 957 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 962 GLN : amide:sc= 0.734 K(o=0.73,f=-0.86) USER MOD Single : A 968 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.32) USER MOD Single : A 973 SER OG : rot 84:sc= 1.13 USER MOD Single : A 974 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 976 GLN : amide:sc=-0.00708 K(o=-0.0071,f=-0.56) USER MOD Single : A 979 SER OG : rot 180:sc= 0 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 983 GLN : amide:sc= -1.48 K(o=-1.5,f=-2!) USER MOD Single : A 990 SER OG : rot 76:sc= 1.15 USER MOD Single : A 992 SER OG : rot 76:sc= 1.23 USER MOD Single : A 995 GLN : amide:sc= -0.0116 K(o=-0.012,f=-0.6) USER MOD Single : A 999 LYS NZ :NH3+ -175:sc=-0.00697 (180deg=-0.0643) USER MOD Single : A1000 MET CE :methyl 163:sc= -0.763 (180deg=-1.47) USER MOD Single : A1005 LYS NZ :NH3+ -171:sc= -0.0117 (180deg=-0.135) USER MOD Single : A1007 SER OG : rot 82:sc= 1.11 USER MOD Single : A1010 THR OG1 : rot 7:sc= 1.16 USER MOD Single : A1012 GLN :FLIP amide:sc= -1.2 F(o=-5.8!,f=-1.2) USER MOD Single : A1014 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1016 SER OG : rot 180:sc= 0 USER MOD Single : A1018 MET CE :methyl 159:sc= -0.179 (180deg=-0.801) USER MOD Single : A1019 GLN : amide:sc= -0.607 K(o=-0.61,f=-2.4!) USER MOD Single : A1021 SER OG : rot 180:sc= 0 USER MOD Single : A1022 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1023 CYS SG : rot 79:sc= 0.0248 USER MOD Single : A1025 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1026 ASN :FLIP amide:sc= -4.24! C(o=-4.9!,f=-4.2!) USER MOD Single : A1029 THR OG1 : rot 74:sc= 0.787 USER MOD Single : A1036 THR OG1 : rot 77:sc= 0.515 USER MOD Single : A1039 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A1040 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 907 13.514 10.089 5.565 1.00 0.00 N ATOM 2 CA GLY A 907 12.672 11.117 4.907 1.00 0.00 C ATOM 3 C GLY A 907 13.485 12.024 4.008 1.00 0.00 C ATOM 4 O GLY A 907 14.449 12.647 4.462 1.00 0.00 O ATOM 0 HA2 GLY A 907 11.894 10.628 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 907 12.170 11.715 5.667 1.00 0.00 H new ATOM 10 N ILE A 908 13.092 12.098 2.733 1.00 0.00 N ATOM 11 CA ILE A 908 13.808 12.888 1.728 1.00 0.00 C ATOM 12 C ILE A 908 15.281 12.475 1.699 1.00 0.00 C ATOM 13 O ILE A 908 16.184 13.305 1.583 1.00 0.00 O ATOM 14 CB ILE A 908 13.685 14.410 2.003 1.00 0.00 C ATOM 15 CG1 ILE A 908 12.252 14.762 2.412 1.00 0.00 C ATOM 16 CG2 ILE A 908 14.085 15.208 0.766 1.00 0.00 C ATOM 17 CD1 ILE A 908 12.060 16.219 2.768 1.00 0.00 C ATOM 0 H ILE A 908 12.271 11.614 2.370 1.00 0.00 H new ATOM 0 HA ILE A 908 13.354 12.690 0.757 1.00 0.00 H new ATOM 0 HB ILE A 908 14.359 14.668 2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 908 11.577 14.505 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 908 11.967 14.148 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 908 13.993 16.274 0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 908 15.117 14.977 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 908 13.431 14.944 -0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 908 11.021 16.391 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 908 12.708 16.477 3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 908 12.313 16.840 1.909 1.00 0.00 H new ATOM 29 N ASP A 909 15.505 11.170 1.791 1.00 0.00 N ATOM 30 CA ASP A 909 16.844 10.615 1.946 1.00 0.00 C ATOM 31 C ASP A 909 17.641 10.718 0.654 1.00 0.00 C ATOM 32 O ASP A 909 17.296 10.094 -0.347 1.00 0.00 O ATOM 33 CB ASP A 909 16.758 9.153 2.383 1.00 0.00 C ATOM 34 CG ASP A 909 15.966 8.982 3.661 1.00 0.00 C ATOM 35 OD1 ASP A 909 16.569 9.033 4.752 1.00 0.00 O ATOM 36 OD2 ASP A 909 14.742 8.781 3.584 1.00 0.00 O ATOM 0 H ASP A 909 14.766 10.468 1.760 1.00 0.00 H new ATOM 0 HA ASP A 909 17.359 11.196 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 909 16.295 8.566 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 909 17.764 8.759 2.526 1.00 0.00 H new ATOM 41 N PRO A 910 18.727 11.506 0.668 1.00 0.00 N ATOM 42 CA PRO A 910 19.593 11.691 -0.493 1.00 0.00 C ATOM 43 C PRO A 910 20.724 10.670 -0.537 1.00 0.00 C ATOM 44 O PRO A 910 21.693 10.825 -1.282 1.00 0.00 O ATOM 45 CB PRO A 910 20.146 13.093 -0.260 1.00 0.00 C ATOM 46 CG PRO A 910 20.244 13.220 1.226 1.00 0.00 C ATOM 47 CD PRO A 910 19.196 12.303 1.818 1.00 0.00 C ATOM 0 HA PRO A 910 19.066 11.565 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 910 21.120 13.218 -0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 910 19.487 13.853 -0.680 1.00 0.00 H new ATOM 0 HG2 PRO A 910 21.240 12.942 1.572 1.00 0.00 H new ATOM 0 HG3 PRO A 910 20.075 14.251 1.537 1.00 0.00 H new ATOM 0 HD2 PRO A 910 19.616 11.668 2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 910 18.381 12.868 2.271 1.00 0.00 H new ATOM 55 N PHE A 911 20.593 9.629 0.267 1.00 0.00 N ATOM 56 CA PHE A 911 21.619 8.603 0.362 1.00 0.00 C ATOM 57 C PHE A 911 21.481 7.605 -0.777 1.00 0.00 C ATOM 58 O PHE A 911 22.276 7.604 -1.715 1.00 0.00 O ATOM 59 CB PHE A 911 21.535 7.881 1.708 1.00 0.00 C ATOM 60 CG PHE A 911 21.666 8.795 2.891 1.00 0.00 C ATOM 61 CD1 PHE A 911 22.898 9.318 3.246 1.00 0.00 C ATOM 62 CD2 PHE A 911 20.555 9.125 3.651 1.00 0.00 C ATOM 63 CE1 PHE A 911 23.020 10.155 4.337 1.00 0.00 C ATOM 64 CE2 PHE A 911 20.672 9.962 4.742 1.00 0.00 C ATOM 65 CZ PHE A 911 21.907 10.493 5.075 1.00 0.00 C ATOM 0 H PHE A 911 19.783 9.471 0.866 1.00 0.00 H new ATOM 0 HA PHE A 911 22.593 9.087 0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 911 20.582 7.355 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 911 22.319 7.126 1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 911 23.772 9.069 2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 911 19.588 8.723 3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 911 23.989 10.545 4.612 1.00 0.00 H new ATOM 0 HE2 PHE A 911 19.802 10.203 5.335 1.00 0.00 H new ATOM 0 HZ PHE A 911 21.997 11.170 5.911 1.00 0.00 H new ATOM 75 N THR A 912 20.459 6.767 -0.698 1.00 0.00 N ATOM 76 CA THR A 912 20.223 5.760 -1.717 1.00 0.00 C ATOM 77 C THR A 912 18.767 5.788 -2.154 1.00 0.00 C ATOM 78 O THR A 912 17.952 6.517 -1.585 1.00 0.00 O ATOM 79 CB THR A 912 20.548 4.345 -1.203 1.00 0.00 C ATOM 80 OG1 THR A 912 19.628 3.989 -0.167 1.00 0.00 O ATOM 81 CG2 THR A 912 21.969 4.262 -0.666 1.00 0.00 C ATOM 0 H THR A 912 19.780 6.766 0.063 1.00 0.00 H new ATOM 0 HA THR A 912 20.878 5.992 -2.556 1.00 0.00 H new ATOM 0 HB THR A 912 20.458 3.652 -2.040 1.00 0.00 H new ATOM 0 HG1 THR A 912 20.125 3.736 0.639 1.00 0.00 H new ATOM 0 HG21 THR A 912 22.165 3.250 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 912 22.673 4.511 -1.460 1.00 0.00 H new ATOM 0 HG23 THR A 912 22.088 4.965 0.159 1.00 0.00 H new ATOM 89 N LEU A 913 18.445 4.978 -3.145 1.00 0.00 N ATOM 90 CA LEU A 913 17.080 4.857 -3.620 1.00 0.00 C ATOM 91 C LEU A 913 16.300 3.903 -2.720 1.00 0.00 C ATOM 92 O LEU A 913 15.081 4.001 -2.592 1.00 0.00 O ATOM 93 CB LEU A 913 17.075 4.341 -5.059 1.00 0.00 C ATOM 94 CG LEU A 913 17.947 5.132 -6.038 1.00 0.00 C ATOM 95 CD1 LEU A 913 18.024 4.424 -7.374 1.00 0.00 C ATOM 96 CD2 LEU A 913 17.411 6.538 -6.229 1.00 0.00 C ATOM 0 H LEU A 913 19.116 4.390 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 913 16.604 5.837 -3.593 1.00 0.00 H new ATOM 0 HB2 LEU A 913 17.408 3.303 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 913 16.049 4.345 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 913 18.949 5.198 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 913 18.648 5.001 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 913 18.457 3.433 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 913 17.022 4.327 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU A 913 18.048 7.078 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 913 16.397 6.490 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 913 17.402 7.057 -5.271 1.00 0.00 H new ATOM 108 N VAL A 914 17.024 2.996 -2.073 1.00 0.00 N ATOM 109 CA VAL A 914 16.403 1.975 -1.240 1.00 0.00 C ATOM 110 C VAL A 914 16.052 2.530 0.140 1.00 0.00 C ATOM 111 O VAL A 914 15.161 2.019 0.813 1.00 0.00 O ATOM 112 CB VAL A 914 17.302 0.727 -1.101 1.00 0.00 C ATOM 113 CG1 VAL A 914 17.760 0.255 -2.475 1.00 0.00 C ATOM 114 CG2 VAL A 914 18.495 0.995 -0.194 1.00 0.00 C ATOM 0 H VAL A 914 18.042 2.948 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 914 15.482 1.672 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 914 16.713 -0.064 -0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 914 18.393 -0.625 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 914 16.890 0.003 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 914 18.325 1.049 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 914 19.105 0.095 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 914 19.093 1.806 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 914 18.142 1.277 0.798 1.00 0.00 H new ATOM 124 N GLN A 915 16.750 3.588 0.548 1.00 0.00 N ATOM 125 CA GLN A 915 16.420 4.288 1.787 1.00 0.00 C ATOM 126 C GLN A 915 15.022 4.893 1.682 1.00 0.00 C ATOM 127 O GLN A 915 14.279 4.988 2.667 1.00 0.00 O ATOM 128 CB GLN A 915 17.455 5.383 2.079 1.00 0.00 C ATOM 129 CG GLN A 915 18.418 5.050 3.214 1.00 0.00 C ATOM 130 CD GLN A 915 19.285 3.838 2.929 1.00 0.00 C ATOM 131 OE1 GLN A 915 20.370 3.956 2.360 1.00 0.00 O ATOM 132 NE2 GLN A 915 18.825 2.668 3.338 1.00 0.00 N ATOM 0 H GLN A 915 17.544 3.978 0.041 1.00 0.00 H new ATOM 0 HA GLN A 915 16.437 3.574 2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 915 18.031 5.573 1.173 1.00 0.00 H new ATOM 0 HB3 GLN A 915 16.930 6.307 2.323 1.00 0.00 H new ATOM 0 HG2 GLN A 915 19.060 5.911 3.401 1.00 0.00 H new ATOM 0 HG3 GLN A 915 17.847 4.873 4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 915 17.921 2.611 3.806 1.00 0.00 H new ATOM 0 HE22 GLN A 915 19.375 1.822 3.185 1.00 0.00 H new ATOM 141 N ARG A 916 14.661 5.283 0.463 1.00 0.00 N ATOM 142 CA ARG A 916 13.334 5.810 0.193 1.00 0.00 C ATOM 143 C ARG A 916 12.288 4.726 0.393 1.00 0.00 C ATOM 144 O ARG A 916 11.203 4.982 0.909 1.00 0.00 O ATOM 145 CB ARG A 916 13.245 6.360 -1.231 1.00 0.00 C ATOM 146 CG ARG A 916 14.235 7.473 -1.519 1.00 0.00 C ATOM 147 CD ARG A 916 13.902 8.180 -2.819 1.00 0.00 C ATOM 148 NE ARG A 916 12.570 8.785 -2.773 1.00 0.00 N ATOM 149 CZ ARG A 916 12.034 9.496 -3.763 1.00 0.00 C ATOM 150 NH1 ARG A 916 12.714 9.701 -4.884 1.00 0.00 N ATOM 151 NH2 ARG A 916 10.815 10.001 -3.627 1.00 0.00 N ATOM 0 H ARG A 916 15.272 5.243 -0.352 1.00 0.00 H new ATOM 0 HA ARG A 916 13.144 6.625 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 916 13.412 5.546 -1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 916 12.235 6.730 -1.405 1.00 0.00 H new ATOM 0 HG2 ARG A 916 14.228 8.191 -0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 916 15.243 7.062 -1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 916 14.647 8.951 -3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 916 13.952 7.470 -3.644 1.00 0.00 H new ATOM 0 HE ARG A 916 12.016 8.653 -1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 916 13.651 9.313 -4.990 1.00 0.00 H new ATOM 0 HH12 ARG A 916 12.299 10.246 -5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 916 10.291 9.844 -2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 916 10.401 10.546 -4.383 1.00 0.00 H new ATOM 165 N LEU A 917 12.642 3.507 0.002 1.00 0.00 N ATOM 166 CA LEU A 917 11.744 2.369 0.123 1.00 0.00 C ATOM 167 C LEU A 917 11.436 2.066 1.582 1.00 0.00 C ATOM 168 O LEU A 917 10.319 1.686 1.914 1.00 0.00 O ATOM 169 CB LEU A 917 12.352 1.140 -0.549 1.00 0.00 C ATOM 170 CG LEU A 917 12.523 1.249 -2.062 1.00 0.00 C ATOM 171 CD1 LEU A 917 13.216 0.013 -2.608 1.00 0.00 C ATOM 172 CD2 LEU A 917 11.174 1.446 -2.733 1.00 0.00 C ATOM 0 H LEU A 917 13.551 3.283 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 917 10.810 2.624 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 917 13.327 0.945 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 917 11.723 0.277 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 917 13.147 2.116 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 917 13.330 0.107 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 917 14.199 -0.087 -2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 917 12.618 -0.869 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 917 11.312 1.522 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 917 10.529 0.597 -2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 917 10.713 2.361 -2.361 1.00 0.00 H new ATOM 184 N GLU A 918 12.427 2.248 2.450 1.00 0.00 N ATOM 185 CA GLU A 918 12.246 2.013 3.880 1.00 0.00 C ATOM 186 C GLU A 918 11.075 2.830 4.418 1.00 0.00 C ATOM 187 O GLU A 918 10.196 2.307 5.108 1.00 0.00 O ATOM 188 CB GLU A 918 13.514 2.376 4.651 1.00 0.00 C ATOM 189 CG GLU A 918 14.742 1.581 4.244 1.00 0.00 C ATOM 190 CD GLU A 918 15.945 1.933 5.088 1.00 0.00 C ATOM 191 OE1 GLU A 918 16.625 2.928 4.776 1.00 0.00 O ATOM 192 OE2 GLU A 918 16.232 1.198 6.054 1.00 0.00 O ATOM 0 H GLU A 918 13.363 2.557 2.189 1.00 0.00 H new ATOM 0 HA GLU A 918 12.034 0.953 4.018 1.00 0.00 H new ATOM 0 HB2 GLU A 918 13.720 3.437 4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 918 13.334 2.225 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 918 14.532 0.515 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 918 14.966 1.771 3.194 1.00 0.00 H new ATOM 199 N HIS A 919 11.057 4.113 4.085 1.00 0.00 N ATOM 200 CA HIS A 919 10.006 5.005 4.558 1.00 0.00 C ATOM 201 C HIS A 919 8.708 4.771 3.784 1.00 0.00 C ATOM 202 O HIS A 919 7.625 4.698 4.373 1.00 0.00 O ATOM 203 CB HIS A 919 10.453 6.463 4.421 1.00 0.00 C ATOM 204 CG HIS A 919 9.458 7.465 4.926 1.00 0.00 C ATOM 205 ND1 HIS A 919 8.579 8.128 4.101 1.00 0.00 N ATOM 206 CD2 HIS A 919 9.218 7.930 6.174 1.00 0.00 C ATOM 207 CE1 HIS A 919 7.847 8.955 4.816 1.00 0.00 C ATOM 208 NE2 HIS A 919 8.210 8.856 6.078 1.00 0.00 N ATOM 0 H HIS A 919 11.756 4.559 3.491 1.00 0.00 H new ATOM 0 HA HIS A 919 9.818 4.791 5.610 1.00 0.00 H new ATOM 0 HB2 HIS A 919 11.390 6.595 4.961 1.00 0.00 H new ATOM 0 HB3 HIS A 919 10.658 6.670 3.371 1.00 0.00 H new ATOM 0 HD2 HIS A 919 9.726 7.628 7.078 1.00 0.00 H new ATOM 0 HE1 HIS A 919 7.076 9.607 4.432 1.00 0.00 H new ATOM 0 HE2 HIS A 919 7.808 9.381 6.855 1.00 0.00 H new ATOM 216 N ALA A 920 8.829 4.635 2.467 1.00 0.00 N ATOM 217 CA ALA A 920 7.671 4.478 1.594 1.00 0.00 C ATOM 218 C ALA A 920 6.905 3.193 1.895 1.00 0.00 C ATOM 219 O ALA A 920 5.674 3.175 1.872 1.00 0.00 O ATOM 220 CB ALA A 920 8.102 4.510 0.136 1.00 0.00 C ATOM 0 H ALA A 920 9.724 4.630 1.978 1.00 0.00 H new ATOM 0 HA ALA A 920 6.997 5.313 1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 920 7.228 4.392 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 920 8.584 5.464 -0.080 1.00 0.00 H new ATOM 0 HB3 ALA A 920 8.804 3.698 -0.054 1.00 0.00 H new ATOM 226 N ALA A 921 7.628 2.121 2.187 1.00 0.00 N ATOM 227 CA ALA A 921 6.998 0.846 2.495 1.00 0.00 C ATOM 228 C ALA A 921 6.212 0.923 3.796 1.00 0.00 C ATOM 229 O ALA A 921 5.126 0.359 3.908 1.00 0.00 O ATOM 230 CB ALA A 921 8.033 -0.265 2.560 1.00 0.00 C ATOM 0 H ALA A 921 8.647 2.109 2.217 1.00 0.00 H new ATOM 0 HA ALA A 921 6.298 0.617 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 921 7.540 -1.209 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 921 8.540 -0.347 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 921 8.763 -0.037 3.337 1.00 0.00 H new ATOM 236 N LYS A 922 6.752 1.642 4.777 1.00 0.00 N ATOM 237 CA LYS A 922 6.085 1.772 6.065 1.00 0.00 C ATOM 238 C LYS A 922 4.827 2.624 5.953 1.00 0.00 C ATOM 239 O LYS A 922 3.797 2.294 6.540 1.00 0.00 O ATOM 240 CB LYS A 922 7.024 2.357 7.120 1.00 0.00 C ATOM 241 CG LYS A 922 8.150 1.418 7.518 1.00 0.00 C ATOM 242 CD LYS A 922 8.832 1.883 8.794 1.00 0.00 C ATOM 243 CE LYS A 922 9.532 3.219 8.611 1.00 0.00 C ATOM 244 NZ LYS A 922 9.995 3.776 9.908 1.00 0.00 N ATOM 0 H LYS A 922 7.640 2.138 4.704 1.00 0.00 H new ATOM 0 HA LYS A 922 5.795 0.770 6.380 1.00 0.00 H new ATOM 0 HB2 LYS A 922 7.452 3.284 6.739 1.00 0.00 H new ATOM 0 HB3 LYS A 922 6.445 2.614 8.007 1.00 0.00 H new ATOM 0 HG2 LYS A 922 7.754 0.412 7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 922 8.882 1.362 6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 922 8.092 1.967 9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 922 9.558 1.134 9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 922 10.384 3.095 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 922 8.852 3.924 8.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 922 10.468 4.688 9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 922 9.179 3.917 10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 922 10.663 3.114 10.352 1.00 0.00 H new ATOM 258 N GLN A 923 4.903 3.716 5.198 1.00 0.00 N ATOM 259 CA GLN A 923 3.747 4.589 5.025 1.00 0.00 C ATOM 260 C GLN A 923 2.681 3.910 4.172 1.00 0.00 C ATOM 261 O GLN A 923 1.487 4.153 4.352 1.00 0.00 O ATOM 262 CB GLN A 923 4.153 5.931 4.404 1.00 0.00 C ATOM 263 CG GLN A 923 4.761 5.807 3.021 1.00 0.00 C ATOM 264 CD GLN A 923 5.062 7.147 2.390 1.00 0.00 C ATOM 265 OE1 GLN A 923 6.140 7.705 2.573 1.00 0.00 O ATOM 266 NE2 GLN A 923 4.112 7.676 1.640 1.00 0.00 N ATOM 0 H GLN A 923 5.742 4.015 4.702 1.00 0.00 H new ATOM 0 HA GLN A 923 3.329 4.786 6.012 1.00 0.00 H new ATOM 0 HB2 GLN A 923 3.275 6.575 4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 923 4.869 6.424 5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 923 5.681 5.226 3.085 1.00 0.00 H new ATOM 0 HG3 GLN A 923 4.078 5.253 2.377 1.00 0.00 H new ATOM 0 HE21 GLN A 923 3.229 7.182 1.512 1.00 0.00 H new ATOM 0 HE22 GLN A 923 4.261 8.579 1.189 1.00 0.00 H new ATOM 275 N ALA A 924 3.112 3.059 3.248 1.00 0.00 N ATOM 276 CA ALA A 924 2.185 2.286 2.434 1.00 0.00 C ATOM 277 C ALA A 924 1.512 1.217 3.283 1.00 0.00 C ATOM 278 O ALA A 924 0.299 1.035 3.226 1.00 0.00 O ATOM 279 CB ALA A 924 2.908 1.657 1.252 1.00 0.00 C ATOM 0 H ALA A 924 4.097 2.888 3.045 1.00 0.00 H new ATOM 0 HA ALA A 924 1.418 2.956 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 924 2.199 1.083 0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 924 3.350 2.441 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 924 3.694 0.996 1.616 1.00 0.00 H new ATOM 285 N ALA A 925 2.315 0.525 4.089 1.00 0.00 N ATOM 286 CA ALA A 925 1.806 -0.489 5.008 1.00 0.00 C ATOM 287 C ALA A 925 0.814 0.125 5.996 1.00 0.00 C ATOM 288 O ALA A 925 -0.150 -0.520 6.421 1.00 0.00 O ATOM 289 CB ALA A 925 2.964 -1.148 5.752 1.00 0.00 C ATOM 0 H ALA A 925 3.327 0.650 4.123 1.00 0.00 H new ATOM 0 HA ALA A 925 1.281 -1.250 4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 925 2.575 -1.903 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 925 3.636 -1.619 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 925 3.509 -0.393 6.318 1.00 0.00 H new ATOM 295 N ALA A 926 1.060 1.376 6.351 1.00 0.00 N ATOM 296 CA ALA A 926 0.203 2.102 7.276 1.00 0.00 C ATOM 297 C ALA A 926 -1.106 2.524 6.606 1.00 0.00 C ATOM 298 O ALA A 926 -2.192 2.182 7.080 1.00 0.00 O ATOM 299 CB ALA A 926 0.939 3.316 7.822 1.00 0.00 C ATOM 0 H ALA A 926 1.855 1.915 6.008 1.00 0.00 H new ATOM 0 HA ALA A 926 -0.048 1.437 8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 926 0.291 3.854 8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 926 1.838 2.991 8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 926 1.216 3.974 6.999 1.00 0.00 H new ATOM 305 N SER A 927 -0.998 3.241 5.492 1.00 0.00 N ATOM 306 CA SER A 927 -2.168 3.764 4.791 1.00 0.00 C ATOM 307 C SER A 927 -3.068 2.639 4.290 1.00 0.00 C ATOM 308 O SER A 927 -4.295 2.769 4.277 1.00 0.00 O ATOM 309 CB SER A 927 -1.729 4.653 3.627 1.00 0.00 C ATOM 310 OG SER A 927 -0.764 4.000 2.822 1.00 0.00 O ATOM 0 H SER A 927 -0.108 3.475 5.053 1.00 0.00 H new ATOM 0 HA SER A 927 -2.745 4.360 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 927 -2.595 4.917 3.020 1.00 0.00 H new ATOM 0 HB3 SER A 927 -1.315 5.584 4.013 1.00 0.00 H new ATOM 0 HG SER A 927 0.122 4.096 3.231 1.00 0.00 H new ATOM 316 N ALA A 928 -2.456 1.531 3.885 1.00 0.00 N ATOM 317 CA ALA A 928 -3.204 0.363 3.443 1.00 0.00 C ATOM 318 C ALA A 928 -4.119 -0.143 4.550 1.00 0.00 C ATOM 319 O ALA A 928 -5.286 -0.435 4.310 1.00 0.00 O ATOM 320 CB ALA A 928 -2.256 -0.737 3.001 1.00 0.00 C ATOM 0 H ALA A 928 -1.443 1.419 3.854 1.00 0.00 H new ATOM 0 HA ALA A 928 -3.821 0.655 2.594 1.00 0.00 H new ATOM 0 HB1 ALA A 928 -2.831 -1.603 2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 928 -1.640 -0.377 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 928 -1.615 -1.022 3.835 1.00 0.00 H new ATOM 326 N THR A 929 -3.584 -0.214 5.764 1.00 0.00 N ATOM 327 CA THR A 929 -4.351 -0.671 6.914 1.00 0.00 C ATOM 328 C THR A 929 -5.535 0.261 7.174 1.00 0.00 C ATOM 329 O THR A 929 -6.647 -0.193 7.454 1.00 0.00 O ATOM 330 CB THR A 929 -3.461 -0.752 8.171 1.00 0.00 C ATOM 331 OG1 THR A 929 -2.310 -1.564 7.897 1.00 0.00 O ATOM 332 CG2 THR A 929 -4.224 -1.339 9.350 1.00 0.00 C ATOM 0 H THR A 929 -2.619 0.040 5.976 1.00 0.00 H new ATOM 0 HA THR A 929 -4.729 -1.669 6.690 1.00 0.00 H new ATOM 0 HB THR A 929 -3.150 0.260 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 929 -1.661 -1.047 7.375 1.00 0.00 H new ATOM 0 HG21 THR A 929 -3.570 -1.383 10.221 1.00 0.00 H new ATOM 0 HG22 THR A 929 -5.086 -0.711 9.575 1.00 0.00 H new ATOM 0 HG23 THR A 929 -4.563 -2.344 9.100 1.00 0.00 H new ATOM 340 N GLN A 930 -5.289 1.563 7.048 1.00 0.00 N ATOM 341 CA GLN A 930 -6.336 2.563 7.213 1.00 0.00 C ATOM 342 C GLN A 930 -7.409 2.384 6.146 1.00 0.00 C ATOM 343 O GLN A 930 -8.605 2.453 6.431 1.00 0.00 O ATOM 344 CB GLN A 930 -5.749 3.972 7.119 1.00 0.00 C ATOM 345 CG GLN A 930 -4.659 4.248 8.139 1.00 0.00 C ATOM 346 CD GLN A 930 -4.067 5.635 7.996 1.00 0.00 C ATOM 347 OE1 GLN A 930 -3.096 5.838 7.266 1.00 0.00 O ATOM 348 NE2 GLN A 930 -4.656 6.601 8.678 1.00 0.00 N ATOM 0 H GLN A 930 -4.370 1.949 6.831 1.00 0.00 H new ATOM 0 HA GLN A 930 -6.784 2.431 8.198 1.00 0.00 H new ATOM 0 HB2 GLN A 930 -5.344 4.121 6.118 1.00 0.00 H new ATOM 0 HB3 GLN A 930 -6.550 4.699 7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 930 -5.068 4.133 9.143 1.00 0.00 H new ATOM 0 HG3 GLN A 930 -3.868 3.506 8.030 1.00 0.00 H new ATOM 0 HE21 GLN A 930 -5.458 6.390 9.272 1.00 0.00 H new ATOM 0 HE22 GLN A 930 -4.309 7.558 8.611 1.00 0.00 H new ATOM 357 N THR A 931 -6.965 2.140 4.918 1.00 0.00 N ATOM 358 CA THR A 931 -7.872 1.940 3.802 1.00 0.00 C ATOM 359 C THR A 931 -8.696 0.664 3.990 1.00 0.00 C ATOM 360 O THR A 931 -9.876 0.637 3.661 1.00 0.00 O ATOM 361 CB THR A 931 -7.105 1.882 2.466 1.00 0.00 C ATOM 362 OG1 THR A 931 -6.254 3.031 2.347 1.00 0.00 O ATOM 363 CG2 THR A 931 -8.064 1.844 1.284 1.00 0.00 C ATOM 0 H THR A 931 -5.977 2.076 4.673 1.00 0.00 H new ATOM 0 HA THR A 931 -8.551 2.793 3.773 1.00 0.00 H new ATOM 0 HB THR A 931 -6.507 0.971 2.458 1.00 0.00 H new ATOM 0 HG1 THR A 931 -5.480 2.928 2.939 1.00 0.00 H new ATOM 0 HG21 THR A 931 -7.495 1.803 0.355 1.00 0.00 H new ATOM 0 HG22 THR A 931 -8.699 0.962 1.359 1.00 0.00 H new ATOM 0 HG23 THR A 931 -8.685 2.740 1.290 1.00 0.00 H new ATOM 371 N ILE A 932 -8.073 -0.382 4.530 1.00 0.00 N ATOM 372 CA ILE A 932 -8.790 -1.619 4.841 1.00 0.00 C ATOM 373 C ILE A 932 -9.886 -1.351 5.867 1.00 0.00 C ATOM 374 O ILE A 932 -11.038 -1.749 5.681 1.00 0.00 O ATOM 375 CB ILE A 932 -7.845 -2.716 5.386 1.00 0.00 C ATOM 376 CG1 ILE A 932 -6.841 -3.137 4.310 1.00 0.00 C ATOM 377 CG2 ILE A 932 -8.649 -3.918 5.872 1.00 0.00 C ATOM 378 CD1 ILE A 932 -5.825 -4.155 4.785 1.00 0.00 C ATOM 0 H ILE A 932 -7.080 -0.399 4.760 1.00 0.00 H new ATOM 0 HA ILE A 932 -9.228 -1.977 3.909 1.00 0.00 H new ATOM 0 HB ILE A 932 -7.291 -2.309 6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 932 -7.385 -3.550 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 932 -6.315 -2.252 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 932 -7.969 -4.681 6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 932 -9.326 -3.606 6.668 1.00 0.00 H new ATOM 0 HG23 ILE A 932 -9.227 -4.328 5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 932 -5.149 -4.403 3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 932 -5.253 -3.739 5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 932 -6.341 -5.057 5.116 1.00 0.00 H new ATOM 390 N ALA A 933 -9.516 -0.663 6.943 1.00 0.00 N ATOM 391 CA ALA A 933 -10.463 -0.303 7.989 1.00 0.00 C ATOM 392 C ALA A 933 -11.615 0.503 7.411 1.00 0.00 C ATOM 393 O ALA A 933 -12.776 0.286 7.759 1.00 0.00 O ATOM 394 CB ALA A 933 -9.763 0.490 9.084 1.00 0.00 C ATOM 0 H ALA A 933 -8.562 -0.343 7.112 1.00 0.00 H new ATOM 0 HA ALA A 933 -10.865 -1.219 8.421 1.00 0.00 H new ATOM 0 HB1 ALA A 933 -10.482 0.753 9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 933 -8.966 -0.114 9.518 1.00 0.00 H new ATOM 0 HB3 ALA A 933 -9.339 1.400 8.660 1.00 0.00 H new ATOM 400 N ALA A 934 -11.282 1.422 6.515 1.00 0.00 N ATOM 401 CA ALA A 934 -12.278 2.236 5.843 1.00 0.00 C ATOM 402 C ALA A 934 -13.145 1.385 4.927 1.00 0.00 C ATOM 403 O ALA A 934 -14.366 1.437 4.998 1.00 0.00 O ATOM 404 CB ALA A 934 -11.604 3.347 5.049 1.00 0.00 C ATOM 0 H ALA A 934 -10.321 1.621 6.237 1.00 0.00 H new ATOM 0 HA ALA A 934 -12.920 2.685 6.601 1.00 0.00 H new ATOM 0 HB1 ALA A 934 -12.363 3.950 4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 934 -11.026 3.978 5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 934 -10.940 2.910 4.303 1.00 0.00 H new ATOM 410 N ALA A 935 -12.498 0.580 4.098 1.00 0.00 N ATOM 411 CA ALA A 935 -13.179 -0.221 3.086 1.00 0.00 C ATOM 412 C ALA A 935 -14.273 -1.099 3.681 1.00 0.00 C ATOM 413 O ALA A 935 -15.440 -0.992 3.305 1.00 0.00 O ATOM 414 CB ALA A 935 -12.169 -1.080 2.340 1.00 0.00 C ATOM 0 H ALA A 935 -11.485 0.462 4.106 1.00 0.00 H new ATOM 0 HA ALA A 935 -13.660 0.470 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -12.684 -1.675 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -11.433 -0.438 1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -11.665 -1.743 3.043 1.00 0.00 H new ATOM 420 N GLN A 936 -13.900 -1.946 4.631 1.00 0.00 N ATOM 421 CA GLN A 936 -14.826 -2.927 5.182 1.00 0.00 C ATOM 422 C GLN A 936 -15.863 -2.286 6.106 1.00 0.00 C ATOM 423 O GLN A 936 -16.837 -2.930 6.493 1.00 0.00 O ATOM 424 CB GLN A 936 -14.065 -4.032 5.921 1.00 0.00 C ATOM 425 CG GLN A 936 -13.171 -3.533 7.047 1.00 0.00 C ATOM 426 CD GLN A 936 -12.521 -4.665 7.814 1.00 0.00 C ATOM 427 OE1 GLN A 936 -13.069 -5.763 7.908 1.00 0.00 O ATOM 428 NE2 GLN A 936 -11.356 -4.405 8.383 1.00 0.00 N ATOM 0 H GLN A 936 -12.964 -1.974 5.036 1.00 0.00 H new ATOM 0 HA GLN A 936 -15.365 -3.367 4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -14.785 -4.740 6.331 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -13.454 -4.579 5.203 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -12.397 -2.887 6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -13.761 -2.925 7.733 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -10.934 -3.482 8.282 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -10.880 -5.127 8.923 1.00 0.00 H new ATOM 437 N HIS A 937 -15.662 -1.024 6.462 1.00 0.00 N ATOM 438 CA HIS A 937 -16.608 -0.322 7.327 1.00 0.00 C ATOM 439 C HIS A 937 -17.492 0.621 6.523 1.00 0.00 C ATOM 440 O HIS A 937 -18.644 0.861 6.877 1.00 0.00 O ATOM 441 CB HIS A 937 -15.878 0.445 8.431 1.00 0.00 C ATOM 442 CG HIS A 937 -15.407 -0.430 9.553 1.00 0.00 C ATOM 443 ND1 HIS A 937 -15.031 0.058 10.782 1.00 0.00 N ATOM 444 CD2 HIS A 937 -15.262 -1.774 9.626 1.00 0.00 C ATOM 445 CE1 HIS A 937 -14.677 -0.943 11.563 1.00 0.00 C ATOM 446 NE2 HIS A 937 -14.808 -2.067 10.885 1.00 0.00 N ATOM 0 H HIS A 937 -14.859 -0.467 6.169 1.00 0.00 H new ATOM 0 HA HIS A 937 -17.245 -1.073 7.794 1.00 0.00 H new ATOM 0 HB2 HIS A 937 -15.021 0.961 7.999 1.00 0.00 H new ATOM 0 HB3 HIS A 937 -16.543 1.211 8.832 1.00 0.00 H new ATOM 0 HD2 HIS A 937 -15.466 -2.484 8.838 1.00 0.00 H new ATOM 0 HE1 HIS A 937 -14.337 -0.858 12.585 1.00 0.00 H new ATOM 0 HE2 HIS A 937 -14.605 -3.001 11.240 1.00 0.00 H new ATOM 454 N ALA A 938 -16.946 1.162 5.445 1.00 0.00 N ATOM 455 CA ALA A 938 -17.709 2.017 4.554 1.00 0.00 C ATOM 456 C ALA A 938 -18.633 1.176 3.686 1.00 0.00 C ATOM 457 O ALA A 938 -19.787 1.532 3.457 1.00 0.00 O ATOM 458 CB ALA A 938 -16.774 2.851 3.693 1.00 0.00 C ATOM 0 H ALA A 938 -15.975 1.023 5.167 1.00 0.00 H new ATOM 0 HA ALA A 938 -18.318 2.695 5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 938 -17.360 3.487 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 938 -16.148 3.473 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 938 -16.142 2.192 3.098 1.00 0.00 H new ATOM 464 N ALA A 939 -18.115 0.055 3.212 1.00 0.00 N ATOM 465 CA ALA A 939 -18.907 -0.883 2.440 1.00 0.00 C ATOM 466 C ALA A 939 -18.823 -2.271 3.058 1.00 0.00 C ATOM 467 O ALA A 939 -18.001 -3.097 2.657 1.00 0.00 O ATOM 468 CB ALA A 939 -18.454 -0.906 0.988 1.00 0.00 C ATOM 0 H ALA A 939 -17.145 -0.227 3.350 1.00 0.00 H new ATOM 0 HA ALA A 939 -19.947 -0.558 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 939 -19.062 -1.617 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 939 -18.567 0.088 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 939 -17.407 -1.206 0.938 1.00 0.00 H new ATOM 474 N SER A 940 -19.652 -2.507 4.062 1.00 0.00 N ATOM 475 CA SER A 940 -19.681 -3.789 4.743 1.00 0.00 C ATOM 476 C SER A 940 -20.549 -4.769 3.967 1.00 0.00 C ATOM 477 O SER A 940 -20.179 -5.926 3.765 1.00 0.00 O ATOM 478 CB SER A 940 -20.220 -3.611 6.165 1.00 0.00 C ATOM 479 OG SER A 940 -19.506 -2.591 6.848 1.00 0.00 O ATOM 0 H SER A 940 -20.316 -1.823 4.424 1.00 0.00 H new ATOM 0 HA SER A 940 -18.668 -4.188 4.799 1.00 0.00 H new ATOM 0 HB2 SER A 940 -21.280 -3.358 6.129 1.00 0.00 H new ATOM 0 HB3 SER A 940 -20.135 -4.550 6.712 1.00 0.00 H new ATOM 0 HG SER A 940 -18.556 -2.644 6.614 1.00 0.00 H new ATOM 485 N ALA A 941 -21.695 -4.280 3.515 1.00 0.00 N ATOM 486 CA ALA A 941 -22.630 -5.079 2.745 1.00 0.00 C ATOM 487 C ALA A 941 -23.596 -4.174 1.994 1.00 0.00 C ATOM 488 O ALA A 941 -24.304 -3.370 2.606 1.00 0.00 O ATOM 489 CB ALA A 941 -23.397 -6.029 3.654 1.00 0.00 C ATOM 0 H ALA A 941 -22.000 -3.320 3.673 1.00 0.00 H new ATOM 0 HA ALA A 941 -22.068 -5.672 2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 941 -24.093 -6.620 3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 941 -22.697 -6.694 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 941 -23.951 -5.454 4.396 1.00 0.00 H new ATOM 495 N PRO A 942 -23.613 -4.265 0.656 1.00 0.00 N ATOM 496 CA PRO A 942 -24.542 -3.499 -0.178 1.00 0.00 C ATOM 497 C PRO A 942 -25.987 -3.919 0.076 1.00 0.00 C ATOM 498 O PRO A 942 -26.464 -4.919 -0.467 1.00 0.00 O ATOM 499 CB PRO A 942 -24.118 -3.835 -1.614 1.00 0.00 C ATOM 500 CG PRO A 942 -22.757 -4.432 -1.491 1.00 0.00 C ATOM 501 CD PRO A 942 -22.725 -5.110 -0.152 1.00 0.00 C ATOM 0 HA PRO A 942 -24.504 -2.430 0.032 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -24.814 -4.534 -2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -24.101 -2.942 -2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 942 -22.569 -5.144 -2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 942 -21.986 -3.664 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 942 -23.084 -6.137 -0.209 1.00 0.00 H new ATOM 0 HD3 PRO A 942 -21.716 -5.148 0.259 1.00 0.00 H new ATOM 509 N LYS A 943 -26.675 -3.148 0.909 1.00 0.00 N ATOM 510 CA LYS A 943 -28.010 -3.504 1.378 1.00 0.00 C ATOM 511 C LYS A 943 -29.089 -3.161 0.355 1.00 0.00 C ATOM 512 O LYS A 943 -30.277 -3.369 0.601 1.00 0.00 O ATOM 513 CB LYS A 943 -28.303 -2.800 2.705 1.00 0.00 C ATOM 514 CG LYS A 943 -28.202 -1.286 2.631 1.00 0.00 C ATOM 515 CD LYS A 943 -28.542 -0.643 3.965 1.00 0.00 C ATOM 516 CE LYS A 943 -28.463 0.874 3.898 1.00 0.00 C ATOM 517 NZ LYS A 943 -29.370 1.432 2.858 1.00 0.00 N ATOM 0 H LYS A 943 -26.326 -2.263 1.277 1.00 0.00 H new ATOM 0 HA LYS A 943 -28.029 -4.584 1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 943 -29.305 -3.072 3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 943 -27.607 -3.165 3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 943 -27.193 -1.001 2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 943 -28.878 -0.912 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 943 -29.546 -0.942 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 943 -27.857 -1.009 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 943 -28.723 1.294 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 943 -27.437 1.175 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 943 -29.483 2.455 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 943 -28.963 1.263 1.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 943 -30.299 0.968 2.922 1.00 0.00 H new ATOM 531 N ALA A 944 -28.677 -2.629 -0.784 1.00 0.00 N ATOM 532 CA ALA A 944 -29.606 -2.319 -1.856 1.00 0.00 C ATOM 533 C ALA A 944 -29.223 -3.073 -3.122 1.00 0.00 C ATOM 534 O ALA A 944 -29.713 -2.776 -4.211 1.00 0.00 O ATOM 535 CB ALA A 944 -29.640 -0.821 -2.112 1.00 0.00 C ATOM 0 H ALA A 944 -27.704 -2.403 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 944 -30.604 -2.637 -1.555 1.00 0.00 H new ATOM 0 HB1 ALA A 944 -30.341 -0.605 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 944 -29.958 -0.304 -1.207 1.00 0.00 H new ATOM 0 HB3 ALA A 944 -28.645 -0.478 -2.395 1.00 0.00 H new ATOM 541 N SER A 945 -28.348 -4.057 -2.967 1.00 0.00 N ATOM 542 CA SER A 945 -27.868 -4.847 -4.091 1.00 0.00 C ATOM 543 C SER A 945 -27.936 -6.333 -3.749 1.00 0.00 C ATOM 544 O SER A 945 -27.977 -6.697 -2.574 1.00 0.00 O ATOM 545 CB SER A 945 -26.431 -4.442 -4.429 1.00 0.00 C ATOM 546 OG SER A 945 -26.312 -3.030 -4.545 1.00 0.00 O ATOM 0 H SER A 945 -27.954 -4.328 -2.066 1.00 0.00 H new ATOM 0 HA SER A 945 -28.500 -4.661 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 945 -25.756 -4.805 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 945 -26.127 -4.914 -5.363 1.00 0.00 H new ATOM 0 HG SER A 945 -25.385 -2.796 -4.760 1.00 0.00 H new ATOM 552 N ALA A 946 -27.954 -7.183 -4.764 1.00 0.00 N ATOM 553 CA ALA A 946 -28.049 -8.622 -4.554 1.00 0.00 C ATOM 554 C ALA A 946 -26.666 -9.258 -4.503 1.00 0.00 C ATOM 555 O ALA A 946 -26.400 -10.132 -3.674 1.00 0.00 O ATOM 556 CB ALA A 946 -28.887 -9.264 -5.649 1.00 0.00 C ATOM 0 H ALA A 946 -27.904 -6.902 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 946 -28.537 -8.793 -3.594 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -28.948 -10.339 -5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -29.890 -8.837 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -28.424 -9.077 -6.618 1.00 0.00 H new ATOM 562 N GLY A 947 -25.787 -8.814 -5.387 1.00 0.00 N ATOM 563 CA GLY A 947 -24.443 -9.345 -5.426 1.00 0.00 C ATOM 564 C GLY A 947 -23.575 -8.638 -6.446 1.00 0.00 C ATOM 565 O GLY A 947 -23.336 -9.166 -7.533 1.00 0.00 O ATOM 0 H GLY A 947 -25.982 -8.092 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 947 -23.989 -9.252 -4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 947 -24.482 -10.409 -5.660 1.00 0.00 H new ATOM 569 N PRO A 948 -23.095 -7.432 -6.122 1.00 0.00 N ATOM 570 CA PRO A 948 -22.234 -6.656 -7.005 1.00 0.00 C ATOM 571 C PRO A 948 -20.763 -7.019 -6.820 1.00 0.00 C ATOM 572 O PRO A 948 -20.440 -8.000 -6.147 1.00 0.00 O ATOM 573 CB PRO A 948 -22.504 -5.223 -6.548 1.00 0.00 C ATOM 574 CG PRO A 948 -22.809 -5.334 -5.091 1.00 0.00 C ATOM 575 CD PRO A 948 -23.353 -6.725 -4.855 1.00 0.00 C ATOM 0 HA PRO A 948 -22.436 -6.828 -8.062 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -21.639 -4.583 -6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -23.340 -4.785 -7.094 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -21.912 -5.165 -4.496 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -23.537 -4.580 -4.791 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -22.853 -7.212 -4.018 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -24.417 -6.702 -4.621 1.00 0.00 H new ATOM 583 N GLN A 949 -19.873 -6.236 -7.415 1.00 0.00 N ATOM 584 CA GLN A 949 -18.444 -6.461 -7.247 1.00 0.00 C ATOM 585 C GLN A 949 -17.803 -5.309 -6.471 1.00 0.00 C ATOM 586 O GLN A 949 -17.467 -4.272 -7.037 1.00 0.00 O ATOM 587 CB GLN A 949 -17.749 -6.659 -8.604 1.00 0.00 C ATOM 588 CG GLN A 949 -17.980 -5.532 -9.600 1.00 0.00 C ATOM 589 CD GLN A 949 -17.025 -5.587 -10.776 1.00 0.00 C ATOM 590 OE1 GLN A 949 -16.573 -6.658 -11.180 1.00 0.00 O ATOM 591 NE2 GLN A 949 -16.702 -4.429 -11.331 1.00 0.00 N ATOM 0 H GLN A 949 -20.113 -5.446 -8.014 1.00 0.00 H new ATOM 0 HA GLN A 949 -18.314 -7.377 -6.670 1.00 0.00 H new ATOM 0 HB2 GLN A 949 -16.677 -6.766 -8.437 1.00 0.00 H new ATOM 0 HB3 GLN A 949 -18.098 -7.593 -9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 949 -19.005 -5.581 -9.967 1.00 0.00 H new ATOM 0 HG3 GLN A 949 -17.869 -4.574 -9.091 1.00 0.00 H new ATOM 0 HE21 GLN A 949 -17.097 -3.562 -10.968 1.00 0.00 H new ATOM 0 HE22 GLN A 949 -16.058 -4.404 -12.121 1.00 0.00 H new ATOM 600 N PRO A 950 -17.661 -5.463 -5.147 1.00 0.00 N ATOM 601 CA PRO A 950 -17.019 -4.458 -4.303 1.00 0.00 C ATOM 602 C PRO A 950 -15.498 -4.503 -4.417 1.00 0.00 C ATOM 603 O PRO A 950 -14.835 -3.469 -4.369 1.00 0.00 O ATOM 604 CB PRO A 950 -17.459 -4.840 -2.878 1.00 0.00 C ATOM 605 CG PRO A 950 -18.429 -5.969 -3.031 1.00 0.00 C ATOM 606 CD PRO A 950 -18.135 -6.602 -4.360 1.00 0.00 C ATOM 0 HA PRO A 950 -17.304 -3.446 -4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 950 -16.603 -5.141 -2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 950 -17.924 -3.993 -2.373 1.00 0.00 H new ATOM 0 HG2 PRO A 950 -18.315 -6.691 -2.223 1.00 0.00 H new ATOM 0 HG3 PRO A 950 -19.456 -5.607 -2.992 1.00 0.00 H new ATOM 0 HD2 PRO A 950 -17.380 -7.384 -4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 950 -19.022 -7.059 -4.799 1.00 0.00 H new ATOM 614 N LEU A 951 -14.960 -5.723 -4.551 1.00 0.00 N ATOM 615 CA LEU A 951 -13.512 -5.968 -4.654 1.00 0.00 C ATOM 616 C LEU A 951 -12.772 -5.677 -3.345 1.00 0.00 C ATOM 617 O LEU A 951 -11.753 -6.304 -3.062 1.00 0.00 O ATOM 618 CB LEU A 951 -12.866 -5.171 -5.798 1.00 0.00 C ATOM 619 CG LEU A 951 -13.090 -5.720 -7.212 1.00 0.00 C ATOM 620 CD1 LEU A 951 -12.808 -7.213 -7.257 1.00 0.00 C ATOM 621 CD2 LEU A 951 -14.496 -5.420 -7.695 1.00 0.00 C ATOM 0 H LEU A 951 -15.520 -6.575 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 951 -13.415 -7.031 -4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 951 -13.246 -4.150 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 951 -11.793 -5.118 -5.616 1.00 0.00 H new ATOM 0 HG LEU A 951 -12.393 -5.221 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 951 -12.973 -7.584 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 951 -11.774 -7.397 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 951 -13.475 -7.730 -6.568 1.00 0.00 H new ATOM 0 HD21 LEU A 951 -14.629 -5.820 -8.700 1.00 0.00 H new ATOM 0 HD22 LEU A 951 -15.218 -5.882 -7.022 1.00 0.00 H new ATOM 0 HD23 LEU A 951 -14.653 -4.341 -7.710 1.00 0.00 H new ATOM 633 N LEU A 952 -13.287 -4.731 -2.561 1.00 0.00 N ATOM 634 CA LEU A 952 -12.668 -4.318 -1.301 1.00 0.00 C ATOM 635 C LEU A 952 -12.271 -5.506 -0.435 1.00 0.00 C ATOM 636 O LEU A 952 -11.094 -5.692 -0.145 1.00 0.00 O ATOM 637 CB LEU A 952 -13.612 -3.407 -0.515 1.00 0.00 C ATOM 638 CG LEU A 952 -13.841 -2.028 -1.125 1.00 0.00 C ATOM 639 CD1 LEU A 952 -14.817 -1.230 -0.278 1.00 0.00 C ATOM 640 CD2 LEU A 952 -12.521 -1.287 -1.257 1.00 0.00 C ATOM 0 H LEU A 952 -14.147 -4.228 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 952 -11.759 -3.774 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 952 -14.575 -3.907 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 952 -13.214 -3.280 0.492 1.00 0.00 H new ATOM 0 HG LEU A 952 -14.271 -2.152 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 952 -14.970 -0.248 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 952 -15.769 -1.758 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 952 -14.413 -1.111 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 952 -12.698 -0.304 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 952 -12.069 -1.171 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 952 -11.848 -1.854 -1.900 1.00 0.00 H new ATOM 652 N VAL A 953 -13.253 -6.313 -0.049 1.00 0.00 N ATOM 653 CA VAL A 953 -13.020 -7.457 0.834 1.00 0.00 C ATOM 654 C VAL A 953 -11.888 -8.346 0.313 1.00 0.00 C ATOM 655 O VAL A 953 -11.020 -8.774 1.073 1.00 0.00 O ATOM 656 CB VAL A 953 -14.299 -8.307 0.994 1.00 0.00 C ATOM 657 CG1 VAL A 953 -14.082 -9.437 1.991 1.00 0.00 C ATOM 658 CG2 VAL A 953 -15.472 -7.435 1.419 1.00 0.00 C ATOM 0 H VAL A 953 -14.225 -6.197 -0.334 1.00 0.00 H new ATOM 0 HA VAL A 953 -12.733 -7.053 1.805 1.00 0.00 H new ATOM 0 HB VAL A 953 -14.532 -8.751 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 953 -14.998 -10.020 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 953 -13.276 -10.082 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 953 -13.816 -9.019 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 953 -16.364 -8.052 1.526 1.00 0.00 H new ATOM 0 HG22 VAL A 953 -15.244 -6.958 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 953 -15.649 -6.670 0.663 1.00 0.00 H new ATOM 668 N GLN A 954 -11.886 -8.590 -0.990 1.00 0.00 N ATOM 669 CA GLN A 954 -10.889 -9.461 -1.600 1.00 0.00 C ATOM 670 C GLN A 954 -9.522 -8.783 -1.620 1.00 0.00 C ATOM 671 O GLN A 954 -8.495 -9.419 -1.367 1.00 0.00 O ATOM 672 CB GLN A 954 -11.316 -9.840 -3.022 1.00 0.00 C ATOM 673 CG GLN A 954 -12.727 -10.404 -3.097 1.00 0.00 C ATOM 674 CD GLN A 954 -12.936 -11.586 -2.170 1.00 0.00 C ATOM 675 OE1 GLN A 954 -12.016 -12.365 -1.914 1.00 0.00 O ATOM 676 NE2 GLN A 954 -14.144 -11.723 -1.652 1.00 0.00 N ATOM 0 H GLN A 954 -12.562 -8.198 -1.645 1.00 0.00 H new ATOM 0 HA GLN A 954 -10.813 -10.369 -1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 954 -11.250 -8.959 -3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 954 -10.617 -10.575 -3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 954 -13.441 -9.620 -2.845 1.00 0.00 H new ATOM 0 HG3 GLN A 954 -12.937 -10.710 -4.122 1.00 0.00 H new ATOM 0 HE21 GLN A 954 -14.879 -11.057 -1.889 1.00 0.00 H new ATOM 0 HE22 GLN A 954 -14.341 -12.495 -1.015 1.00 0.00 H new ATOM 685 N SER A 955 -9.519 -7.486 -1.895 1.00 0.00 N ATOM 686 CA SER A 955 -8.287 -6.717 -1.955 1.00 0.00 C ATOM 687 C SER A 955 -7.687 -6.546 -0.561 1.00 0.00 C ATOM 688 O SER A 955 -6.475 -6.646 -0.383 1.00 0.00 O ATOM 689 CB SER A 955 -8.561 -5.353 -2.587 1.00 0.00 C ATOM 690 OG SER A 955 -9.241 -5.493 -3.825 1.00 0.00 O ATOM 0 H SER A 955 -10.362 -6.943 -2.081 1.00 0.00 H new ATOM 0 HA SER A 955 -7.567 -7.257 -2.569 1.00 0.00 H new ATOM 0 HB2 SER A 955 -9.159 -4.746 -1.906 1.00 0.00 H new ATOM 0 HB3 SER A 955 -7.620 -4.825 -2.742 1.00 0.00 H new ATOM 0 HG SER A 955 -10.183 -5.708 -3.659 1.00 0.00 H new ATOM 696 N CYS A 956 -8.547 -6.313 0.426 1.00 0.00 N ATOM 697 CA CYS A 956 -8.110 -6.137 1.805 1.00 0.00 C ATOM 698 C CYS A 956 -7.420 -7.392 2.329 1.00 0.00 C ATOM 699 O CYS A 956 -6.460 -7.308 3.096 1.00 0.00 O ATOM 700 CB CYS A 956 -9.303 -5.773 2.694 1.00 0.00 C ATOM 701 SG CYS A 956 -10.039 -4.167 2.306 1.00 0.00 S ATOM 0 H CYS A 956 -9.556 -6.242 0.294 1.00 0.00 H new ATOM 0 HA CYS A 956 -7.387 -5.322 1.831 1.00 0.00 H new ATOM 0 HB2 CYS A 956 -10.066 -6.545 2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 956 -8.981 -5.773 3.735 1.00 0.00 H new ATOM 0 HG CYS A 956 -9.183 -3.446 1.645 1.00 0.00 H new ATOM 707 N LYS A 957 -7.903 -8.556 1.906 1.00 0.00 N ATOM 708 CA LYS A 957 -7.271 -9.816 2.273 1.00 0.00 C ATOM 709 C LYS A 957 -5.892 -9.928 1.634 1.00 0.00 C ATOM 710 O LYS A 957 -4.938 -10.376 2.268 1.00 0.00 O ATOM 711 CB LYS A 957 -8.134 -11.004 1.845 1.00 0.00 C ATOM 712 CG LYS A 957 -9.446 -11.118 2.601 1.00 0.00 C ATOM 713 CD LYS A 957 -10.220 -12.349 2.165 1.00 0.00 C ATOM 714 CE LYS A 957 -11.514 -12.506 2.944 1.00 0.00 C ATOM 715 NZ LYS A 957 -12.244 -13.742 2.559 1.00 0.00 N ATOM 0 H LYS A 957 -8.726 -8.652 1.312 1.00 0.00 H new ATOM 0 HA LYS A 957 -7.165 -9.833 3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 957 -8.347 -10.920 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 957 -7.565 -11.923 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 957 -9.250 -11.168 3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 957 -10.048 -10.226 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 957 -10.443 -12.280 1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 957 -9.602 -13.236 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 957 -11.295 -12.531 4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 957 -12.151 -11.639 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 957 -13.122 -13.814 3.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 957 -12.476 -13.707 1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 957 -11.646 -14.572 2.749 1.00 0.00 H new ATOM 729 N ALA A 958 -5.798 -9.505 0.383 1.00 0.00 N ATOM 730 CA ALA A 958 -4.546 -9.564 -0.359 1.00 0.00 C ATOM 731 C ALA A 958 -3.523 -8.595 0.224 1.00 0.00 C ATOM 732 O ALA A 958 -2.377 -8.963 0.477 1.00 0.00 O ATOM 733 CB ALA A 958 -4.797 -9.256 -1.826 1.00 0.00 C ATOM 0 H ALA A 958 -6.579 -9.114 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 958 -4.140 -10.572 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 958 -3.856 -9.302 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 958 -5.493 -9.987 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 958 -5.223 -8.257 -1.920 1.00 0.00 H new ATOM 739 N VAL A 959 -3.953 -7.361 0.449 1.00 0.00 N ATOM 740 CA VAL A 959 -3.090 -6.333 1.020 1.00 0.00 C ATOM 741 C VAL A 959 -2.608 -6.740 2.410 1.00 0.00 C ATOM 742 O VAL A 959 -1.446 -6.526 2.758 1.00 0.00 O ATOM 743 CB VAL A 959 -3.824 -4.976 1.103 1.00 0.00 C ATOM 744 CG1 VAL A 959 -2.969 -3.932 1.802 1.00 0.00 C ATOM 745 CG2 VAL A 959 -4.212 -4.491 -0.285 1.00 0.00 C ATOM 0 H VAL A 959 -4.901 -7.045 0.244 1.00 0.00 H new ATOM 0 HA VAL A 959 -2.228 -6.226 0.362 1.00 0.00 H new ATOM 0 HB VAL A 959 -4.731 -5.124 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 959 -3.511 -2.987 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 959 -2.741 -4.267 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 959 -2.041 -3.792 1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 959 -4.728 -3.534 -0.205 1.00 0.00 H new ATOM 0 HG22 VAL A 959 -3.315 -4.370 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 959 -4.872 -5.221 -0.754 1.00 0.00 H new ATOM 755 N ALA A 960 -3.492 -7.360 3.185 1.00 0.00 N ATOM 756 CA ALA A 960 -3.164 -7.785 4.543 1.00 0.00 C ATOM 757 C ALA A 960 -2.047 -8.825 4.556 1.00 0.00 C ATOM 758 O ALA A 960 -1.385 -9.022 5.572 1.00 0.00 O ATOM 759 CB ALA A 960 -4.399 -8.332 5.241 1.00 0.00 C ATOM 0 H ALA A 960 -4.445 -7.580 2.895 1.00 0.00 H new ATOM 0 HA ALA A 960 -2.807 -6.908 5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 960 -4.137 -8.644 6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 960 -5.164 -7.557 5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 960 -4.782 -9.187 4.685 1.00 0.00 H new ATOM 765 N GLU A 961 -1.841 -9.497 3.430 1.00 0.00 N ATOM 766 CA GLU A 961 -0.762 -10.467 3.314 1.00 0.00 C ATOM 767 C GLU A 961 0.545 -9.766 2.962 1.00 0.00 C ATOM 768 O GLU A 961 1.630 -10.238 3.300 1.00 0.00 O ATOM 769 CB GLU A 961 -1.081 -11.506 2.241 1.00 0.00 C ATOM 770 CG GLU A 961 -2.355 -12.289 2.501 1.00 0.00 C ATOM 771 CD GLU A 961 -2.580 -13.381 1.480 1.00 0.00 C ATOM 772 OE1 GLU A 961 -3.212 -13.109 0.437 1.00 0.00 O ATOM 773 OE2 GLU A 961 -2.122 -14.520 1.715 1.00 0.00 O ATOM 0 H GLU A 961 -2.405 -9.388 2.587 1.00 0.00 H new ATOM 0 HA GLU A 961 -0.658 -10.969 4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 961 -1.165 -11.004 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 961 -0.247 -12.203 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 961 -2.310 -12.730 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 961 -3.205 -11.607 2.493 1.00 0.00 H new ATOM 780 N GLN A 962 0.427 -8.626 2.303 1.00 0.00 N ATOM 781 CA GLN A 962 1.582 -7.924 1.770 1.00 0.00 C ATOM 782 C GLN A 962 2.125 -6.900 2.765 1.00 0.00 C ATOM 783 O GLN A 962 3.312 -6.577 2.743 1.00 0.00 O ATOM 784 CB GLN A 962 1.201 -7.244 0.457 1.00 0.00 C ATOM 785 CG GLN A 962 0.604 -8.198 -0.567 1.00 0.00 C ATOM 786 CD GLN A 962 1.526 -9.348 -0.911 1.00 0.00 C ATOM 787 OE1 GLN A 962 1.505 -10.390 -0.261 1.00 0.00 O ATOM 788 NE2 GLN A 962 2.327 -9.175 -1.949 1.00 0.00 N ATOM 0 H GLN A 962 -0.464 -8.164 2.123 1.00 0.00 H new ATOM 0 HA GLN A 962 2.374 -8.651 1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 962 0.484 -6.449 0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 962 2.086 -6.773 0.030 1.00 0.00 H new ATOM 0 HG2 GLN A 962 -0.335 -8.595 -0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 962 0.367 -7.645 -1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 962 2.313 -8.294 -2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 962 2.958 -9.923 -2.236 1.00 0.00 H new ATOM 797 N ILE A 963 1.253 -6.396 3.635 1.00 0.00 N ATOM 798 CA ILE A 963 1.656 -5.438 4.670 1.00 0.00 C ATOM 799 C ILE A 963 2.812 -5.979 5.528 1.00 0.00 C ATOM 800 O ILE A 963 3.836 -5.306 5.675 1.00 0.00 O ATOM 801 CB ILE A 963 0.469 -5.039 5.580 1.00 0.00 C ATOM 802 CG1 ILE A 963 -0.608 -4.321 4.762 1.00 0.00 C ATOM 803 CG2 ILE A 963 0.943 -4.156 6.729 1.00 0.00 C ATOM 804 CD1 ILE A 963 -1.857 -3.992 5.551 1.00 0.00 C ATOM 0 H ILE A 963 0.261 -6.633 3.646 1.00 0.00 H new ATOM 0 HA ILE A 963 2.002 -4.547 4.145 1.00 0.00 H new ATOM 0 HB ILE A 963 0.039 -5.947 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 963 -0.190 -3.398 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 963 -0.881 -4.945 3.911 1.00 0.00 H new ATOM 0 HG21 ILE A 963 0.093 -3.887 7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 963 1.677 -4.698 7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 963 1.399 -3.251 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 963 -2.573 -3.485 4.904 1.00 0.00 H new ATOM 0 HD12 ILE A 963 -2.300 -4.912 5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 963 -1.599 -3.341 6.387 1.00 0.00 H new ATOM 816 N PRO A 964 2.679 -7.191 6.116 1.00 0.00 N ATOM 817 CA PRO A 964 3.765 -7.806 6.891 1.00 0.00 C ATOM 818 C PRO A 964 5.022 -8.001 6.052 1.00 0.00 C ATOM 819 O PRO A 964 6.131 -7.847 6.552 1.00 0.00 O ATOM 820 CB PRO A 964 3.192 -9.158 7.322 1.00 0.00 C ATOM 821 CG PRO A 964 1.716 -8.991 7.245 1.00 0.00 C ATOM 822 CD PRO A 964 1.476 -8.044 6.105 1.00 0.00 C ATOM 0 HA PRO A 964 4.069 -7.181 7.731 1.00 0.00 H new ATOM 0 HB2 PRO A 964 3.534 -9.959 6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 964 3.508 -9.417 8.333 1.00 0.00 H new ATOM 0 HG2 PRO A 964 1.222 -9.947 7.071 1.00 0.00 H new ATOM 0 HG3 PRO A 964 1.318 -8.591 8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 964 1.366 -8.573 5.158 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.567 -7.460 6.251 1.00 0.00 H new ATOM 830 N LEU A 965 4.841 -8.321 4.773 1.00 0.00 N ATOM 831 CA LEU A 965 5.969 -8.513 3.869 1.00 0.00 C ATOM 832 C LEU A 965 6.743 -7.214 3.690 1.00 0.00 C ATOM 833 O LEU A 965 7.974 -7.220 3.658 1.00 0.00 O ATOM 834 CB LEU A 965 5.496 -9.042 2.514 1.00 0.00 C ATOM 835 CG LEU A 965 4.932 -10.463 2.535 1.00 0.00 C ATOM 836 CD1 LEU A 965 4.511 -10.893 1.139 1.00 0.00 C ATOM 837 CD2 LEU A 965 5.961 -11.431 3.104 1.00 0.00 C ATOM 0 H LEU A 965 3.926 -8.452 4.341 1.00 0.00 H new ATOM 0 HA LEU A 965 6.634 -9.253 4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 965 4.731 -8.370 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 965 6.333 -9.010 1.816 1.00 0.00 H new ATOM 0 HG LEU A 965 4.051 -10.476 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 965 4.112 -11.907 1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 965 3.744 -10.215 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 965 5.374 -10.866 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 965 5.546 -12.439 3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 965 6.858 -11.413 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 965 6.216 -11.134 4.121 1.00 0.00 H new ATOM 849 N LEU A 966 6.015 -6.107 3.584 1.00 0.00 N ATOM 850 CA LEU A 966 6.634 -4.789 3.530 1.00 0.00 C ATOM 851 C LEU A 966 7.502 -4.569 4.751 1.00 0.00 C ATOM 852 O LEU A 966 8.710 -4.403 4.642 1.00 0.00 O ATOM 853 CB LEU A 966 5.583 -3.681 3.488 1.00 0.00 C ATOM 854 CG LEU A 966 4.818 -3.531 2.181 1.00 0.00 C ATOM 855 CD1 LEU A 966 3.816 -2.398 2.311 1.00 0.00 C ATOM 856 CD2 LEU A 966 5.774 -3.273 1.028 1.00 0.00 C ATOM 0 H LEU A 966 4.996 -6.097 3.534 1.00 0.00 H new ATOM 0 HA LEU A 966 7.235 -4.751 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 966 4.864 -3.860 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 966 6.075 -2.733 3.708 1.00 0.00 H new ATOM 0 HG LEU A 966 4.284 -4.457 1.970 1.00 0.00 H new ATOM 0 HD11 LEU A 966 3.267 -2.289 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 966 3.118 -2.621 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 966 4.343 -1.470 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 966 5.208 -3.169 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 966 6.333 -2.356 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 966 6.468 -4.109 0.937 1.00 0.00 H new ATOM 868 N VAL A 967 6.867 -4.593 5.916 1.00 0.00 N ATOM 869 CA VAL A 967 7.542 -4.299 7.171 1.00 0.00 C ATOM 870 C VAL A 967 8.679 -5.285 7.434 1.00 0.00 C ATOM 871 O VAL A 967 9.730 -4.904 7.951 1.00 0.00 O ATOM 872 CB VAL A 967 6.546 -4.308 8.346 1.00 0.00 C ATOM 873 CG1 VAL A 967 7.242 -3.956 9.655 1.00 0.00 C ATOM 874 CG2 VAL A 967 5.406 -3.337 8.067 1.00 0.00 C ATOM 0 H VAL A 967 5.877 -4.815 6.016 1.00 0.00 H new ATOM 0 HA VAL A 967 7.971 -3.300 7.086 1.00 0.00 H new ATOM 0 HB VAL A 967 6.138 -5.314 8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 967 6.516 -3.970 10.468 1.00 0.00 H new ATOM 0 HG12 VAL A 967 8.027 -4.685 9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 967 7.681 -2.962 9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 967 4.706 -3.349 8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 967 5.807 -2.331 7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 967 4.889 -3.636 7.155 1.00 0.00 H new ATOM 884 N GLN A 968 8.475 -6.541 7.061 1.00 0.00 N ATOM 885 CA GLN A 968 9.523 -7.547 7.172 1.00 0.00 C ATOM 886 C GLN A 968 10.706 -7.155 6.294 1.00 0.00 C ATOM 887 O GLN A 968 11.863 -7.244 6.711 1.00 0.00 O ATOM 888 CB GLN A 968 8.992 -8.924 6.761 1.00 0.00 C ATOM 889 CG GLN A 968 9.949 -10.068 7.057 1.00 0.00 C ATOM 890 CD GLN A 968 10.262 -10.192 8.534 1.00 0.00 C ATOM 891 OE1 GLN A 968 11.224 -9.602 9.030 1.00 0.00 O ATOM 892 NE2 GLN A 968 9.448 -10.948 9.250 1.00 0.00 N ATOM 0 H GLN A 968 7.595 -6.888 6.679 1.00 0.00 H new ATOM 0 HA GLN A 968 9.850 -7.602 8.210 1.00 0.00 H new ATOM 0 HB2 GLN A 968 8.050 -9.108 7.278 1.00 0.00 H new ATOM 0 HB3 GLN A 968 8.773 -8.914 5.693 1.00 0.00 H new ATOM 0 HG2 GLN A 968 9.515 -11.002 6.701 1.00 0.00 H new ATOM 0 HG3 GLN A 968 10.876 -9.915 6.504 1.00 0.00 H new ATOM 0 HE21 GLN A 968 8.663 -11.419 8.801 1.00 0.00 H new ATOM 0 HE22 GLN A 968 9.605 -11.060 10.252 1.00 0.00 H new ATOM 901 N GLY A 969 10.405 -6.711 5.080 1.00 0.00 N ATOM 902 CA GLY A 969 11.433 -6.223 4.182 1.00 0.00 C ATOM 903 C GLY A 969 12.100 -4.969 4.711 1.00 0.00 C ATOM 904 O GLY A 969 13.323 -4.838 4.652 1.00 0.00 O ATOM 0 H GLY A 969 9.459 -6.680 4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 969 12.184 -6.999 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 969 10.994 -6.016 3.206 1.00 0.00 H new ATOM 908 N VAL A 970 11.291 -4.047 5.229 1.00 0.00 N ATOM 909 CA VAL A 970 11.802 -2.820 5.830 1.00 0.00 C ATOM 910 C VAL A 970 12.772 -3.150 6.961 1.00 0.00 C ATOM 911 O VAL A 970 13.924 -2.729 6.942 1.00 0.00 O ATOM 912 CB VAL A 970 10.667 -1.924 6.389 1.00 0.00 C ATOM 913 CG1 VAL A 970 11.225 -0.613 6.918 1.00 0.00 C ATOM 914 CG2 VAL A 970 9.605 -1.651 5.334 1.00 0.00 C ATOM 0 H VAL A 970 10.274 -4.129 5.244 1.00 0.00 H new ATOM 0 HA VAL A 970 12.314 -2.271 5.040 1.00 0.00 H new ATOM 0 HB VAL A 970 10.199 -2.465 7.212 1.00 0.00 H new ATOM 0 HG11 VAL A 970 10.411 -0.001 7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 970 11.937 -0.817 7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 970 11.728 -0.080 6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 970 8.824 -1.020 5.759 1.00 0.00 H new ATOM 0 HG22 VAL A 970 10.059 -1.143 4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 970 9.170 -2.594 5.003 1.00 0.00 H new ATOM 924 N ARG A 971 12.303 -3.936 7.926 1.00 0.00 N ATOM 925 CA ARG A 971 13.121 -4.315 9.077 1.00 0.00 C ATOM 926 C ARG A 971 14.371 -5.071 8.647 1.00 0.00 C ATOM 927 O ARG A 971 15.442 -4.883 9.219 1.00 0.00 O ATOM 928 CB ARG A 971 12.317 -5.160 10.065 1.00 0.00 C ATOM 929 CG ARG A 971 11.230 -4.383 10.787 1.00 0.00 C ATOM 930 CD ARG A 971 10.561 -5.229 11.856 1.00 0.00 C ATOM 931 NE ARG A 971 11.527 -5.755 12.820 1.00 0.00 N ATOM 932 CZ ARG A 971 11.466 -5.543 14.134 1.00 0.00 C ATOM 933 NH1 ARG A 971 10.510 -4.779 14.648 1.00 0.00 N ATOM 934 NH2 ARG A 971 12.377 -6.082 14.928 1.00 0.00 N ATOM 0 H ARG A 971 11.360 -4.324 7.935 1.00 0.00 H new ATOM 0 HA ARG A 971 13.430 -3.394 9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 971 11.862 -5.994 9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 971 12.997 -5.587 10.802 1.00 0.00 H new ATOM 0 HG2 ARG A 971 11.660 -3.491 11.243 1.00 0.00 H new ATOM 0 HG3 ARG A 971 10.484 -4.045 10.068 1.00 0.00 H new ATOM 0 HD2 ARG A 971 9.816 -4.630 12.379 1.00 0.00 H new ATOM 0 HD3 ARG A 971 10.031 -6.057 11.385 1.00 0.00 H new ATOM 0 HE ARG A 971 12.297 -6.321 12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 971 9.816 -4.350 14.036 1.00 0.00 H new ATOM 0 HH12 ARG A 971 10.469 -4.621 15.655 1.00 0.00 H new ATOM 0 HH21 ARG A 971 13.122 -6.657 14.533 1.00 0.00 H new ATOM 0 HH22 ARG A 971 12.335 -5.923 15.935 1.00 0.00 H new ATOM 948 N GLY A 972 14.232 -5.919 7.634 1.00 0.00 N ATOM 949 CA GLY A 972 15.377 -6.643 7.116 1.00 0.00 C ATOM 950 C GLY A 972 16.422 -5.708 6.543 1.00 0.00 C ATOM 951 O GLY A 972 17.620 -5.898 6.750 1.00 0.00 O ATOM 0 H GLY A 972 13.349 -6.117 7.163 1.00 0.00 H new ATOM 0 HA2 GLY A 972 15.821 -7.239 7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 972 15.048 -7.338 6.343 1.00 0.00 H new ATOM 955 N SER A 973 15.958 -4.677 5.851 1.00 0.00 N ATOM 956 CA SER A 973 16.843 -3.700 5.236 1.00 0.00 C ATOM 957 C SER A 973 17.394 -2.729 6.282 1.00 0.00 C ATOM 958 O SER A 973 18.373 -2.025 6.035 1.00 0.00 O ATOM 959 CB SER A 973 16.088 -2.945 4.142 1.00 0.00 C ATOM 960 OG SER A 973 15.463 -3.853 3.247 1.00 0.00 O ATOM 0 H SER A 973 14.966 -4.496 5.701 1.00 0.00 H new ATOM 0 HA SER A 973 17.690 -4.221 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 973 15.337 -2.296 4.593 1.00 0.00 H new ATOM 0 HB3 SER A 973 16.777 -2.303 3.594 1.00 0.00 H new ATOM 0 HG SER A 973 14.598 -4.132 3.615 1.00 0.00 H new ATOM 966 N GLN A 974 16.756 -2.696 7.448 1.00 0.00 N ATOM 967 CA GLN A 974 17.236 -1.886 8.562 1.00 0.00 C ATOM 968 C GLN A 974 18.299 -2.643 9.346 1.00 0.00 C ATOM 969 O GLN A 974 19.331 -2.084 9.718 1.00 0.00 O ATOM 970 CB GLN A 974 16.088 -1.507 9.502 1.00 0.00 C ATOM 971 CG GLN A 974 15.015 -0.648 8.857 1.00 0.00 C ATOM 972 CD GLN A 974 13.919 -0.255 9.830 1.00 0.00 C ATOM 973 OE1 GLN A 974 13.662 -1.099 10.819 1.00 0.00 O flip ATOM 974 NE2 GLN A 974 13.304 0.802 9.694 1.00 0.00 N flip ATOM 0 H GLN A 974 15.904 -3.221 7.646 1.00 0.00 H new ATOM 0 HA GLN A 974 17.667 -0.974 8.149 1.00 0.00 H new ATOM 0 HB2 GLN A 974 15.628 -2.419 9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 974 16.497 -0.974 10.361 1.00 0.00 H new ATOM 0 HG2 GLN A 974 15.473 0.253 8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 974 14.575 -1.190 8.020 1.00 0.00 H new ATOM 0 HE21 GLN A 974 13.529 1.427 8.920 1.00 0.00 H new ATOM 0 HE22 GLN A 974 12.569 1.053 10.355 1.00 0.00 H new ATOM 983 N ALA A 975 18.029 -3.920 9.595 1.00 0.00 N ATOM 984 CA ALA A 975 18.942 -4.772 10.344 1.00 0.00 C ATOM 985 C ALA A 975 20.237 -4.989 9.577 1.00 0.00 C ATOM 986 O ALA A 975 21.308 -5.126 10.170 1.00 0.00 O ATOM 987 CB ALA A 975 18.279 -6.103 10.653 1.00 0.00 C ATOM 0 H ALA A 975 17.178 -4.389 9.286 1.00 0.00 H new ATOM 0 HA ALA A 975 19.186 -4.273 11.282 1.00 0.00 H new ATOM 0 HB1 ALA A 975 18.970 -6.732 11.213 1.00 0.00 H new ATOM 0 HB2 ALA A 975 17.381 -5.933 11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 975 18.009 -6.600 9.721 1.00 0.00 H new ATOM 993 N GLN A 976 20.131 -5.032 8.261 1.00 0.00 N ATOM 994 CA GLN A 976 21.301 -5.111 7.404 1.00 0.00 C ATOM 995 C GLN A 976 21.657 -3.711 6.917 1.00 0.00 C ATOM 996 O GLN A 976 20.969 -3.166 6.057 1.00 0.00 O ATOM 997 CB GLN A 976 21.031 -6.033 6.210 1.00 0.00 C ATOM 998 CG GLN A 976 20.562 -7.428 6.599 1.00 0.00 C ATOM 999 CD GLN A 976 21.611 -8.218 7.357 1.00 0.00 C ATOM 1000 OE1 GLN A 976 22.811 -8.048 7.146 1.00 0.00 O ATOM 1001 NE2 GLN A 976 21.167 -9.086 8.249 1.00 0.00 N ATOM 0 H GLN A 976 19.242 -5.013 7.760 1.00 0.00 H new ATOM 0 HA GLN A 976 22.135 -5.525 7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 976 20.277 -5.572 5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 976 21.942 -6.119 5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 976 19.665 -7.345 7.212 1.00 0.00 H new ATOM 0 HG3 GLN A 976 20.284 -7.976 5.699 1.00 0.00 H new ATOM 0 HE21 GLN A 976 20.164 -9.199 8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 976 21.827 -9.643 8.791 1.00 0.00 H new ATOM 1010 N PRO A 977 22.717 -3.103 7.479 1.00 0.00 N ATOM 1011 CA PRO A 977 23.109 -1.720 7.164 1.00 0.00 C ATOM 1012 C PRO A 977 23.179 -1.451 5.666 1.00 0.00 C ATOM 1013 O PRO A 977 22.445 -0.611 5.140 1.00 0.00 O ATOM 1014 CB PRO A 977 24.492 -1.591 7.800 1.00 0.00 C ATOM 1015 CG PRO A 977 24.482 -2.568 8.924 1.00 0.00 C ATOM 1016 CD PRO A 977 23.616 -3.714 8.477 1.00 0.00 C ATOM 0 HA PRO A 977 22.382 -0.999 7.539 1.00 0.00 H new ATOM 0 HB2 PRO A 977 25.281 -1.820 7.083 1.00 0.00 H new ATOM 0 HB3 PRO A 977 24.671 -0.577 8.158 1.00 0.00 H new ATOM 0 HG2 PRO A 977 25.492 -2.909 9.152 1.00 0.00 H new ATOM 0 HG3 PRO A 977 24.087 -2.113 9.832 1.00 0.00 H new ATOM 0 HD2 PRO A 977 24.209 -4.519 8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 977 23.058 -4.143 9.309 1.00 0.00 H new ATOM 1024 N ASP A 978 24.047 -2.169 4.979 1.00 0.00 N ATOM 1025 CA ASP A 978 24.186 -2.010 3.543 1.00 0.00 C ATOM 1026 C ASP A 978 24.327 -3.371 2.890 1.00 0.00 C ATOM 1027 O ASP A 978 25.434 -3.835 2.619 1.00 0.00 O ATOM 1028 CB ASP A 978 25.394 -1.132 3.211 1.00 0.00 C ATOM 1029 CG ASP A 978 25.408 -0.655 1.769 1.00 0.00 C ATOM 1030 OD1 ASP A 978 24.855 -1.368 0.907 1.00 0.00 O ATOM 1031 OD2 ASP A 978 25.959 0.431 1.490 1.00 0.00 O ATOM 0 H ASP A 978 24.666 -2.867 5.391 1.00 0.00 H new ATOM 0 HA ASP A 978 23.294 -1.519 3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 978 25.399 -0.266 3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 978 26.308 -1.692 3.411 1.00 0.00 H new ATOM 1036 N SER A 979 23.205 -4.030 2.688 1.00 0.00 N ATOM 1037 CA SER A 979 23.191 -5.336 2.061 1.00 0.00 C ATOM 1038 C SER A 979 22.360 -5.306 0.789 1.00 0.00 C ATOM 1039 O SER A 979 21.178 -4.958 0.815 1.00 0.00 O ATOM 1040 CB SER A 979 22.637 -6.389 3.025 1.00 0.00 C ATOM 1041 OG SER A 979 22.504 -7.649 2.384 1.00 0.00 O ATOM 0 H SER A 979 22.284 -3.680 2.951 1.00 0.00 H new ATOM 0 HA SER A 979 24.216 -5.602 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 979 23.300 -6.483 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 979 21.667 -6.066 3.403 1.00 0.00 H new ATOM 0 HG SER A 979 22.150 -8.304 3.021 1.00 0.00 H new ATOM 1047 N PRO A 980 22.968 -5.674 -0.347 1.00 0.00 N ATOM 1048 CA PRO A 980 22.264 -5.748 -1.624 1.00 0.00 C ATOM 1049 C PRO A 980 21.150 -6.794 -1.584 1.00 0.00 C ATOM 1050 O PRO A 980 20.120 -6.648 -2.239 1.00 0.00 O ATOM 1051 CB PRO A 980 23.354 -6.146 -2.626 1.00 0.00 C ATOM 1052 CG PRO A 980 24.448 -6.735 -1.801 1.00 0.00 C ATOM 1053 CD PRO A 980 24.392 -6.031 -0.477 1.00 0.00 C ATOM 0 HA PRO A 980 21.776 -4.809 -1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 980 22.977 -6.866 -3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 980 23.707 -5.281 -3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 980 24.309 -7.809 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 980 25.417 -6.592 -2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 980 24.721 -6.677 0.337 1.00 0.00 H new ATOM 0 HD3 PRO A 980 25.032 -5.148 -0.463 1.00 0.00 H new ATOM 1061 N SER A 981 21.358 -7.832 -0.788 1.00 0.00 N ATOM 1062 CA SER A 981 20.369 -8.882 -0.622 1.00 0.00 C ATOM 1063 C SER A 981 19.143 -8.341 0.113 1.00 0.00 C ATOM 1064 O SER A 981 18.002 -8.653 -0.240 1.00 0.00 O ATOM 1065 CB SER A 981 20.981 -10.058 0.147 1.00 0.00 C ATOM 1066 OG SER A 981 20.040 -11.100 0.345 1.00 0.00 O ATOM 0 H SER A 981 22.210 -7.968 -0.244 1.00 0.00 H new ATOM 0 HA SER A 981 20.054 -9.233 -1.605 1.00 0.00 H new ATOM 0 HB2 SER A 981 21.841 -10.443 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 981 21.348 -9.710 1.113 1.00 0.00 H new ATOM 0 HG SER A 981 20.464 -11.834 0.837 1.00 0.00 H new ATOM 1072 N ALA A 982 19.389 -7.513 1.122 1.00 0.00 N ATOM 1073 CA ALA A 982 18.318 -6.921 1.911 1.00 0.00 C ATOM 1074 C ALA A 982 17.544 -5.895 1.097 1.00 0.00 C ATOM 1075 O ALA A 982 16.317 -5.943 1.017 1.00 0.00 O ATOM 1076 CB ALA A 982 18.887 -6.267 3.156 1.00 0.00 C ATOM 0 H ALA A 982 20.327 -7.236 1.413 1.00 0.00 H new ATOM 0 HA ALA A 982 17.633 -7.717 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 982 18.077 -5.828 3.739 1.00 0.00 H new ATOM 0 HB2 ALA A 982 19.402 -7.016 3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 982 19.591 -5.487 2.868 1.00 0.00 H new ATOM 1082 N GLN A 983 18.279 -4.981 0.479 1.00 0.00 N ATOM 1083 CA GLN A 983 17.679 -3.893 -0.279 1.00 0.00 C ATOM 1084 C GLN A 983 16.822 -4.426 -1.429 1.00 0.00 C ATOM 1085 O GLN A 983 15.750 -3.892 -1.713 1.00 0.00 O ATOM 1086 CB GLN A 983 18.770 -2.959 -0.802 1.00 0.00 C ATOM 1087 CG GLN A 983 19.630 -3.577 -1.875 1.00 0.00 C ATOM 1088 CD GLN A 983 20.674 -2.627 -2.421 1.00 0.00 C ATOM 1089 OE1 GLN A 983 21.784 -2.532 -1.895 1.00 0.00 O ATOM 1090 NE2 GLN A 983 20.333 -1.931 -3.490 1.00 0.00 N ATOM 0 H GLN A 983 19.299 -4.972 0.488 1.00 0.00 H new ATOM 0 HA GLN A 983 17.023 -3.331 0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 983 18.305 -2.056 -1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 983 19.405 -2.654 0.030 1.00 0.00 H new ATOM 0 HG2 GLN A 983 20.126 -4.459 -1.471 1.00 0.00 H new ATOM 0 HG3 GLN A 983 18.993 -3.916 -2.692 1.00 0.00 H new ATOM 0 HE21 GLN A 983 19.403 -2.040 -3.894 1.00 0.00 H new ATOM 0 HE22 GLN A 983 21.000 -1.284 -3.912 1.00 0.00 H new ATOM 1099 N LEU A 984 17.288 -5.490 -2.075 1.00 0.00 N ATOM 1100 CA LEU A 984 16.533 -6.124 -3.152 1.00 0.00 C ATOM 1101 C LEU A 984 15.253 -6.755 -2.621 1.00 0.00 C ATOM 1102 O LEU A 984 14.233 -6.778 -3.309 1.00 0.00 O ATOM 1103 CB LEU A 984 17.378 -7.179 -3.872 1.00 0.00 C ATOM 1104 CG LEU A 984 18.028 -6.722 -5.182 1.00 0.00 C ATOM 1105 CD1 LEU A 984 16.965 -6.376 -6.214 1.00 0.00 C ATOM 1106 CD2 LEU A 984 18.943 -5.529 -4.944 1.00 0.00 C ATOM 0 H LEU A 984 18.185 -5.932 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 984 16.268 -5.346 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 984 18.163 -7.514 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 984 16.748 -8.043 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 984 18.630 -7.545 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 984 17.446 -6.054 -7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 984 16.351 -7.254 -6.412 1.00 0.00 H new ATOM 0 HD13 LEU A 984 16.336 -5.572 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 984 19.393 -5.222 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 984 18.364 -4.702 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 984 19.728 -5.807 -4.241 1.00 0.00 H new ATOM 1118 N ALA A 985 15.306 -7.254 -1.392 1.00 0.00 N ATOM 1119 CA ALA A 985 14.135 -7.842 -0.759 1.00 0.00 C ATOM 1120 C ALA A 985 13.098 -6.765 -0.472 1.00 0.00 C ATOM 1121 O ALA A 985 11.891 -7.011 -0.554 1.00 0.00 O ATOM 1122 CB ALA A 985 14.522 -8.567 0.520 1.00 0.00 C ATOM 0 H ALA A 985 16.147 -7.263 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 985 13.700 -8.571 -1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 985 13.632 -8.999 0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 985 15.232 -9.361 0.288 1.00 0.00 H new ATOM 0 HB3 ALA A 985 14.980 -7.862 1.214 1.00 0.00 H new ATOM 1128 N LEU A 986 13.575 -5.569 -0.138 1.00 0.00 N ATOM 1129 CA LEU A 986 12.697 -4.428 0.073 1.00 0.00 C ATOM 1130 C LEU A 986 12.007 -4.067 -1.242 1.00 0.00 C ATOM 1131 O LEU A 986 10.789 -3.879 -1.286 1.00 0.00 O ATOM 1132 CB LEU A 986 13.491 -3.228 0.600 1.00 0.00 C ATOM 1133 CG LEU A 986 12.790 -2.387 1.679 1.00 0.00 C ATOM 1134 CD1 LEU A 986 13.656 -1.202 2.071 1.00 0.00 C ATOM 1135 CD2 LEU A 986 11.422 -1.912 1.210 1.00 0.00 C ATOM 0 H LEU A 986 14.566 -5.367 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 986 11.944 -4.692 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 986 14.436 -3.590 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 986 13.733 -2.578 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 986 12.642 -3.021 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 986 13.146 -0.616 2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 986 14.608 -1.561 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 986 13.836 -0.578 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 986 10.953 -1.320 1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 986 11.536 -1.301 0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 986 10.796 -2.775 0.983 1.00 0.00 H new ATOM 1147 N ILE A 987 12.798 -3.986 -2.313 1.00 0.00 N ATOM 1148 CA ILE A 987 12.271 -3.708 -3.647 1.00 0.00 C ATOM 1149 C ILE A 987 11.213 -4.741 -4.024 1.00 0.00 C ATOM 1150 O ILE A 987 10.121 -4.393 -4.482 1.00 0.00 O ATOM 1151 CB ILE A 987 13.389 -3.728 -4.717 1.00 0.00 C ATOM 1152 CG1 ILE A 987 14.495 -2.731 -4.357 1.00 0.00 C ATOM 1153 CG2 ILE A 987 12.818 -3.414 -6.095 1.00 0.00 C ATOM 1154 CD1 ILE A 987 15.682 -2.771 -5.296 1.00 0.00 C ATOM 0 H ILE A 987 13.810 -4.110 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 987 11.830 -2.712 -3.618 1.00 0.00 H new ATOM 0 HB ILE A 987 13.820 -4.729 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 987 14.078 -1.724 -4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 987 14.839 -2.934 -3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 987 13.619 -3.433 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 987 12.066 -4.159 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 987 12.359 -2.425 -6.082 1.00 0.00 H new ATOM 0 HD11 ILE A 987 16.423 -2.038 -4.977 1.00 0.00 H new ATOM 0 HD12 ILE A 987 16.126 -3.766 -5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 987 15.353 -2.537 -6.309 1.00 0.00 H new ATOM 1166 N ALA A 988 11.548 -6.007 -3.806 1.00 0.00 N ATOM 1167 CA ALA A 988 10.645 -7.115 -4.091 1.00 0.00 C ATOM 1168 C ALA A 988 9.319 -6.949 -3.360 1.00 0.00 C ATOM 1169 O ALA A 988 8.249 -7.044 -3.965 1.00 0.00 O ATOM 1170 CB ALA A 988 11.298 -8.430 -3.704 1.00 0.00 C ATOM 0 H ALA A 988 12.451 -6.294 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 988 10.439 -7.119 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 988 10.616 -9.252 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 988 12.218 -8.561 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 988 11.530 -8.422 -2.639 1.00 0.00 H new ATOM 1176 N ALA A 989 9.399 -6.682 -2.061 1.00 0.00 N ATOM 1177 CA ALA A 989 8.210 -6.503 -1.236 1.00 0.00 C ATOM 1178 C ALA A 989 7.386 -5.315 -1.716 1.00 0.00 C ATOM 1179 O ALA A 989 6.164 -5.400 -1.823 1.00 0.00 O ATOM 1180 CB ALA A 989 8.600 -6.321 0.224 1.00 0.00 C ATOM 0 H ALA A 989 10.279 -6.584 -1.555 1.00 0.00 H new ATOM 0 HA ALA A 989 7.597 -7.400 -1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 989 7.702 -6.189 0.827 1.00 0.00 H new ATOM 0 HB2 ALA A 989 9.142 -7.202 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 989 9.237 -5.442 0.324 1.00 0.00 H new ATOM 1186 N SER A 990 8.069 -4.219 -2.020 1.00 0.00 N ATOM 1187 CA SER A 990 7.412 -2.997 -2.470 1.00 0.00 C ATOM 1188 C SER A 990 6.600 -3.244 -3.740 1.00 0.00 C ATOM 1189 O SER A 990 5.420 -2.903 -3.810 1.00 0.00 O ATOM 1190 CB SER A 990 8.456 -1.907 -2.716 1.00 0.00 C ATOM 1191 OG SER A 990 9.241 -1.685 -1.555 1.00 0.00 O ATOM 0 H SER A 990 9.085 -4.151 -1.963 1.00 0.00 H new ATOM 0 HA SER A 990 6.725 -2.670 -1.689 1.00 0.00 H new ATOM 0 HB2 SER A 990 9.101 -2.196 -3.546 1.00 0.00 H new ATOM 0 HB3 SER A 990 7.959 -0.981 -3.006 1.00 0.00 H new ATOM 0 HG SER A 990 9.893 -2.410 -1.458 1.00 0.00 H new ATOM 1197 N GLN A 991 7.233 -3.857 -4.734 1.00 0.00 N ATOM 1198 CA GLN A 991 6.574 -4.133 -6.006 1.00 0.00 C ATOM 1199 C GLN A 991 5.430 -5.124 -5.824 1.00 0.00 C ATOM 1200 O GLN A 991 4.359 -4.978 -6.420 1.00 0.00 O ATOM 1201 CB GLN A 991 7.583 -4.664 -7.024 1.00 0.00 C ATOM 1202 CG GLN A 991 8.666 -3.656 -7.377 1.00 0.00 C ATOM 1203 CD GLN A 991 9.694 -4.208 -8.344 1.00 0.00 C ATOM 1204 OE1 GLN A 991 9.982 -5.406 -8.355 1.00 0.00 O ATOM 1205 NE2 GLN A 991 10.253 -3.336 -9.167 1.00 0.00 N ATOM 0 H GLN A 991 8.202 -4.172 -4.684 1.00 0.00 H new ATOM 0 HA GLN A 991 6.156 -3.199 -6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 991 8.050 -5.565 -6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 991 7.055 -4.953 -7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 991 8.203 -2.771 -7.813 1.00 0.00 H new ATOM 0 HG3 GLN A 991 9.169 -3.336 -6.464 1.00 0.00 H new ATOM 0 HE21 GLN A 991 9.986 -2.352 -9.126 1.00 0.00 H new ATOM 0 HE22 GLN A 991 10.950 -3.647 -9.843 1.00 0.00 H new ATOM 1214 N SER A 992 5.649 -6.118 -4.975 1.00 0.00 N ATOM 1215 CA SER A 992 4.655 -7.132 -4.707 1.00 0.00 C ATOM 1216 C SER A 992 3.470 -6.563 -3.929 1.00 0.00 C ATOM 1217 O SER A 992 2.383 -7.136 -3.933 1.00 0.00 O ATOM 1218 CB SER A 992 5.308 -8.269 -3.936 1.00 0.00 C ATOM 1219 OG SER A 992 6.363 -8.846 -4.690 1.00 0.00 O ATOM 0 H SER A 992 6.519 -6.239 -4.457 1.00 0.00 H new ATOM 0 HA SER A 992 4.266 -7.505 -5.654 1.00 0.00 H new ATOM 0 HB2 SER A 992 5.694 -7.897 -2.987 1.00 0.00 H new ATOM 0 HB3 SER A 992 4.564 -9.030 -3.701 1.00 0.00 H new ATOM 0 HG SER A 992 7.143 -8.253 -4.668 1.00 0.00 H new ATOM 1225 N PHE A 993 3.680 -5.437 -3.263 1.00 0.00 N ATOM 1226 CA PHE A 993 2.608 -4.774 -2.533 1.00 0.00 C ATOM 1227 C PHE A 993 1.787 -3.901 -3.475 1.00 0.00 C ATOM 1228 O PHE A 993 0.595 -3.684 -3.259 1.00 0.00 O ATOM 1229 CB PHE A 993 3.182 -3.928 -1.396 1.00 0.00 C ATOM 1230 CG PHE A 993 2.133 -3.243 -0.565 1.00 0.00 C ATOM 1231 CD1 PHE A 993 1.369 -3.960 0.339 1.00 0.00 C ATOM 1232 CD2 PHE A 993 1.912 -1.883 -0.691 1.00 0.00 C ATOM 1233 CE1 PHE A 993 0.407 -3.331 1.103 1.00 0.00 C ATOM 1234 CE2 PHE A 993 0.952 -1.249 0.068 1.00 0.00 C ATOM 1235 CZ PHE A 993 0.198 -1.984 0.974 1.00 0.00 C ATOM 0 H PHE A 993 4.582 -4.963 -3.213 1.00 0.00 H new ATOM 0 HA PHE A 993 1.957 -5.537 -2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 993 3.786 -4.565 -0.750 1.00 0.00 H new ATOM 0 HB3 PHE A 993 3.849 -3.175 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 993 1.527 -5.023 0.448 1.00 0.00 H new ATOM 0 HD2 PHE A 993 2.500 -1.311 -1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 993 -0.182 -3.903 1.804 1.00 0.00 H new ATOM 0 HE2 PHE A 993 0.787 -0.187 -0.041 1.00 0.00 H new ATOM 0 HZ PHE A 993 -0.552 -1.493 1.576 1.00 0.00 H new ATOM 1245 N LEU A 994 2.432 -3.414 -4.525 1.00 0.00 N ATOM 1246 CA LEU A 994 1.780 -2.562 -5.512 1.00 0.00 C ATOM 1247 C LEU A 994 0.626 -3.290 -6.189 1.00 0.00 C ATOM 1248 O LEU A 994 -0.413 -2.693 -6.470 1.00 0.00 O ATOM 1249 CB LEU A 994 2.791 -2.109 -6.565 1.00 0.00 C ATOM 1250 CG LEU A 994 3.954 -1.273 -6.034 1.00 0.00 C ATOM 1251 CD1 LEU A 994 5.020 -1.122 -7.103 1.00 0.00 C ATOM 1252 CD2 LEU A 994 3.464 0.088 -5.567 1.00 0.00 C ATOM 0 H LEU A 994 3.417 -3.596 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 994 1.381 -1.691 -4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 994 3.196 -2.992 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 994 2.266 -1.530 -7.324 1.00 0.00 H new ATOM 0 HG LEU A 994 4.392 -1.787 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 994 5.844 -0.524 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 994 5.390 -2.106 -7.390 1.00 0.00 H new ATOM 0 HD13 LEU A 994 4.593 -0.627 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 994 4.307 0.669 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 994 3.003 0.615 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 994 2.731 -0.043 -4.771 1.00 0.00 H new ATOM 1264 N GLN A 995 0.817 -4.583 -6.438 1.00 0.00 N ATOM 1265 CA GLN A 995 -0.191 -5.399 -7.117 1.00 0.00 C ATOM 1266 C GLN A 995 -1.549 -5.362 -6.390 1.00 0.00 C ATOM 1267 O GLN A 995 -2.533 -4.899 -6.962 1.00 0.00 O ATOM 1268 CB GLN A 995 0.315 -6.841 -7.289 1.00 0.00 C ATOM 1269 CG GLN A 995 -0.700 -7.795 -7.905 1.00 0.00 C ATOM 1270 CD GLN A 995 -1.169 -7.358 -9.280 1.00 0.00 C ATOM 1271 OE1 GLN A 995 -0.442 -6.697 -10.023 1.00 0.00 O ATOM 1272 NE2 GLN A 995 -2.391 -7.731 -9.628 1.00 0.00 N ATOM 0 H GLN A 995 1.663 -5.091 -6.180 1.00 0.00 H new ATOM 0 HA GLN A 995 -0.355 -4.971 -8.106 1.00 0.00 H new ATOM 0 HB2 GLN A 995 1.208 -6.828 -7.914 1.00 0.00 H new ATOM 0 HB3 GLN A 995 0.613 -7.227 -6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 995 -0.258 -8.789 -7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 995 -1.562 -7.876 -7.243 1.00 0.00 H new ATOM 0 HE21 GLN A 995 -2.960 -8.278 -8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 995 -2.763 -7.471 -10.542 1.00 0.00 H new ATOM 1281 N PRO A 996 -1.646 -5.838 -5.125 1.00 0.00 N ATOM 1282 CA PRO A 996 -2.911 -5.806 -4.391 1.00 0.00 C ATOM 1283 C PRO A 996 -3.248 -4.411 -3.868 1.00 0.00 C ATOM 1284 O PRO A 996 -4.419 -4.046 -3.763 1.00 0.00 O ATOM 1285 CB PRO A 996 -2.672 -6.771 -3.233 1.00 0.00 C ATOM 1286 CG PRO A 996 -1.206 -6.711 -2.988 1.00 0.00 C ATOM 1287 CD PRO A 996 -0.566 -6.453 -4.327 1.00 0.00 C ATOM 0 HA PRO A 996 -3.756 -6.079 -5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 996 -3.234 -6.474 -2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 996 -2.990 -7.782 -3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 996 -0.962 -5.918 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 996 -0.845 -7.645 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 996 0.293 -5.788 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 996 -0.208 -7.376 -4.783 1.00 0.00 H new ATOM 1295 N GLY A 997 -2.215 -3.633 -3.556 1.00 0.00 N ATOM 1296 CA GLY A 997 -2.421 -2.298 -3.033 1.00 0.00 C ATOM 1297 C GLY A 997 -3.088 -1.390 -4.040 1.00 0.00 C ATOM 1298 O GLY A 997 -4.107 -0.764 -3.745 1.00 0.00 O ATOM 0 H GLY A 997 -1.238 -3.906 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 997 -3.033 -2.352 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 997 -1.461 -1.872 -2.741 1.00 0.00 H new ATOM 1302 N GLY A 998 -2.530 -1.342 -5.246 1.00 0.00 N ATOM 1303 CA GLY A 998 -3.081 -0.501 -6.291 1.00 0.00 C ATOM 1304 C GLY A 998 -4.439 -0.985 -6.751 1.00 0.00 C ATOM 1305 O GLY A 998 -5.227 -0.220 -7.311 1.00 0.00 O ATOM 0 H GLY A 998 -1.703 -1.873 -5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -3.165 0.523 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -2.397 -0.481 -7.139 1.00 0.00 H new ATOM 1309 N LYS A 999 -4.716 -2.253 -6.491 1.00 0.00 N ATOM 1310 CA LYS A 999 -5.971 -2.854 -6.851 1.00 0.00 C ATOM 1311 C LYS A 999 -7.056 -2.425 -5.864 1.00 0.00 C ATOM 1312 O LYS A 999 -8.204 -2.194 -6.248 1.00 0.00 O ATOM 1313 CB LYS A 999 -5.795 -4.374 -6.873 1.00 0.00 C ATOM 1314 CG LYS A 999 -7.056 -5.136 -6.558 1.00 0.00 C ATOM 1315 CD LYS A 999 -6.826 -6.641 -6.516 1.00 0.00 C ATOM 1316 CE LYS A 999 -6.228 -7.168 -7.816 1.00 0.00 C ATOM 1317 NZ LYS A 999 -7.065 -6.840 -9.001 1.00 0.00 N ATOM 0 H LYS A 999 -4.069 -2.888 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 999 -6.283 -2.523 -7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 999 -5.436 -4.675 -7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 999 -5.024 -4.652 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 999 -7.448 -4.804 -5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 999 -7.813 -4.907 -7.308 1.00 0.00 H new ATOM 0 HD2 LYS A 999 -6.160 -6.882 -5.688 1.00 0.00 H new ATOM 0 HD3 LYS A 999 -7.772 -7.146 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 999 -5.232 -6.747 -7.951 1.00 0.00 H new ATOM 0 HE3 LYS A 999 -6.110 -8.249 -7.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 999 -6.661 -7.291 -9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 999 -8.033 -7.190 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 999 -7.087 -5.809 -9.136 1.00 0.00 H new ATOM 1331 N MET A1000 -6.677 -2.278 -4.595 1.00 0.00 N ATOM 1332 CA MET A1000 -7.627 -1.880 -3.567 1.00 0.00 C ATOM 1333 C MET A1000 -7.954 -0.399 -3.700 1.00 0.00 C ATOM 1334 O MET A1000 -9.038 0.041 -3.323 1.00 0.00 O ATOM 1335 CB MET A1000 -7.085 -2.184 -2.169 1.00 0.00 C ATOM 1336 CG MET A1000 -8.122 -2.003 -1.070 1.00 0.00 C ATOM 1337 SD MET A1000 -7.525 -2.510 0.556 1.00 0.00 S ATOM 1338 CE MET A1000 -6.217 -1.317 0.818 1.00 0.00 C ATOM 0 H MET A1000 -5.725 -2.428 -4.260 1.00 0.00 H new ATOM 0 HA MET A1000 -8.541 -2.457 -3.705 1.00 0.00 H new ATOM 0 HB2 MET A1000 -6.715 -3.209 -2.145 1.00 0.00 H new ATOM 0 HB3 MET A1000 -6.234 -1.533 -1.967 1.00 0.00 H new ATOM 0 HG2 MET A1000 -8.422 -0.956 -1.030 1.00 0.00 H new ATOM 0 HG3 MET A1000 -9.012 -2.580 -1.320 1.00 0.00 H new ATOM 0 HE1 MET A1000 -5.953 -1.293 1.875 1.00 0.00 H new ATOM 0 HE2 MET A1000 -5.343 -1.601 0.232 1.00 0.00 H new ATOM 0 HE3 MET A1000 -6.558 -0.329 0.507 1.00 0.00 H new ATOM 1348 N VAL A1001 -7.011 0.365 -4.245 1.00 0.00 N ATOM 1349 CA VAL A1001 -7.241 1.777 -4.529 1.00 0.00 C ATOM 1350 C VAL A1001 -8.403 1.930 -5.505 1.00 0.00 C ATOM 1351 O VAL A1001 -9.322 2.717 -5.278 1.00 0.00 O ATOM 1352 CB VAL A1001 -5.987 2.455 -5.125 1.00 0.00 C ATOM 1353 CG1 VAL A1001 -6.255 3.921 -5.431 1.00 0.00 C ATOM 1354 CG2 VAL A1001 -4.803 2.322 -4.182 1.00 0.00 C ATOM 0 H VAL A1001 -6.082 0.030 -4.498 1.00 0.00 H new ATOM 0 HA VAL A1001 -7.477 2.265 -3.583 1.00 0.00 H new ATOM 0 HB VAL A1001 -5.745 1.948 -6.059 1.00 0.00 H new ATOM 0 HG11 VAL A1001 -5.357 4.375 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A1001 -7.070 3.999 -6.150 1.00 0.00 H new ATOM 0 HG13 VAL A1001 -6.530 4.440 -4.513 1.00 0.00 H new ATOM 0 HG21 VAL A1001 -3.931 2.806 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A1001 -5.041 2.797 -3.230 1.00 0.00 H new ATOM 0 HG23 VAL A1001 -4.587 1.267 -4.016 1.00 0.00 H new ATOM 1364 N ALA A1002 -8.363 1.153 -6.582 1.00 0.00 N ATOM 1365 CA ALA A1002 -9.421 1.174 -7.582 1.00 0.00 C ATOM 1366 C ALA A1002 -10.713 0.617 -7.002 1.00 0.00 C ATOM 1367 O ALA A1002 -11.794 1.168 -7.220 1.00 0.00 O ATOM 1368 CB ALA A1002 -9.002 0.385 -8.812 1.00 0.00 C ATOM 0 H ALA A1002 -7.606 0.499 -6.784 1.00 0.00 H new ATOM 0 HA ALA A1002 -9.597 2.208 -7.879 1.00 0.00 H new ATOM 0 HB1 ALA A1002 -9.803 0.410 -9.551 1.00 0.00 H new ATOM 0 HB2 ALA A1002 -8.102 0.827 -9.238 1.00 0.00 H new ATOM 0 HB3 ALA A1002 -8.800 -0.648 -8.530 1.00 0.00 H new ATOM 1374 N ALA A1003 -10.588 -0.469 -6.243 1.00 0.00 N ATOM 1375 CA ALA A1003 -11.730 -1.090 -5.581 1.00 0.00 C ATOM 1376 C ALA A1003 -12.444 -0.096 -4.673 1.00 0.00 C ATOM 1377 O ALA A1003 -13.673 -0.044 -4.635 1.00 0.00 O ATOM 1378 CB ALA A1003 -11.275 -2.304 -4.782 1.00 0.00 C ATOM 0 H ALA A1003 -9.699 -0.939 -6.071 1.00 0.00 H new ATOM 0 HA ALA A1003 -12.435 -1.413 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A1003 -12.135 -2.760 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A1003 -10.813 -3.029 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA A1003 -10.551 -1.993 -4.029 1.00 0.00 H new ATOM 1384 N ALA A1004 -11.661 0.696 -3.949 1.00 0.00 N ATOM 1385 CA ALA A1004 -12.203 1.703 -3.050 1.00 0.00 C ATOM 1386 C ALA A1004 -12.949 2.777 -3.829 1.00 0.00 C ATOM 1387 O ALA A1004 -14.091 3.102 -3.508 1.00 0.00 O ATOM 1388 CB ALA A1004 -11.091 2.321 -2.217 1.00 0.00 C ATOM 0 H ALA A1004 -10.642 0.658 -3.969 1.00 0.00 H new ATOM 0 HA ALA A1004 -12.911 1.218 -2.378 1.00 0.00 H new ATOM 0 HB1 ALA A1004 -11.512 3.073 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A1004 -10.603 1.544 -1.628 1.00 0.00 H new ATOM 0 HB3 ALA A1004 -10.360 2.790 -2.876 1.00 0.00 H new ATOM 1394 N LYS A1005 -12.309 3.301 -4.870 1.00 0.00 N ATOM 1395 CA LYS A1005 -12.904 4.352 -5.697 1.00 0.00 C ATOM 1396 C LYS A1005 -14.210 3.884 -6.328 1.00 0.00 C ATOM 1397 O LYS A1005 -15.162 4.654 -6.458 1.00 0.00 O ATOM 1398 CB LYS A1005 -11.932 4.781 -6.798 1.00 0.00 C ATOM 1399 CG LYS A1005 -10.657 5.428 -6.278 1.00 0.00 C ATOM 1400 CD LYS A1005 -9.719 5.796 -7.417 1.00 0.00 C ATOM 1401 CE LYS A1005 -8.439 6.442 -6.910 1.00 0.00 C ATOM 1402 NZ LYS A1005 -8.694 7.739 -6.229 1.00 0.00 N ATOM 0 H LYS A1005 -11.375 3.015 -5.164 1.00 0.00 H new ATOM 0 HA LYS A1005 -13.115 5.202 -5.048 1.00 0.00 H new ATOM 0 HB2 LYS A1005 -11.667 3.909 -7.395 1.00 0.00 H new ATOM 0 HB3 LYS A1005 -12.438 5.481 -7.463 1.00 0.00 H new ATOM 0 HG2 LYS A1005 -10.907 6.322 -5.707 1.00 0.00 H new ATOM 0 HG3 LYS A1005 -10.152 4.745 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A1005 -9.473 4.901 -7.988 1.00 0.00 H new ATOM 0 HD3 LYS A1005 -10.226 6.479 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A1005 -7.941 5.763 -6.218 1.00 0.00 H new ATOM 0 HE3 LYS A1005 -7.759 6.601 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A1005 -7.789 8.214 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A1005 -9.279 8.343 -6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A1005 -9.193 7.568 -5.333 1.00 0.00 H new ATOM 1416 N ALA A1006 -14.253 2.618 -6.713 1.00 0.00 N ATOM 1417 CA ALA A1006 -15.427 2.055 -7.359 1.00 0.00 C ATOM 1418 C ALA A1006 -16.529 1.751 -6.348 1.00 0.00 C ATOM 1419 O ALA A1006 -17.696 1.616 -6.712 1.00 0.00 O ATOM 1420 CB ALA A1006 -15.044 0.802 -8.128 1.00 0.00 C ATOM 0 H ALA A1006 -13.485 1.959 -6.588 1.00 0.00 H new ATOM 0 HA ALA A1006 -15.819 2.795 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A1006 -15.929 0.386 -8.609 1.00 0.00 H new ATOM 0 HB2 ALA A1006 -14.303 1.053 -8.886 1.00 0.00 H new ATOM 0 HB3 ALA A1006 -14.625 0.067 -7.441 1.00 0.00 H new ATOM 1426 N SER A1007 -16.162 1.650 -5.079 1.00 0.00 N ATOM 1427 CA SER A1007 -17.128 1.338 -4.034 1.00 0.00 C ATOM 1428 C SER A1007 -17.696 2.606 -3.401 1.00 0.00 C ATOM 1429 O SER A1007 -18.722 2.559 -2.724 1.00 0.00 O ATOM 1430 CB SER A1007 -16.489 0.452 -2.970 1.00 0.00 C ATOM 1431 OG SER A1007 -16.097 -0.795 -3.520 1.00 0.00 O ATOM 0 H SER A1007 -15.206 1.779 -4.748 1.00 0.00 H new ATOM 0 HA SER A1007 -17.955 0.798 -4.494 1.00 0.00 H new ATOM 0 HB2 SER A1007 -15.621 0.956 -2.545 1.00 0.00 H new ATOM 0 HB3 SER A1007 -17.194 0.289 -2.155 1.00 0.00 H new ATOM 0 HG SER A1007 -15.230 -0.697 -3.967 1.00 0.00 H new ATOM 1437 N VAL A1008 -17.038 3.734 -3.634 1.00 0.00 N ATOM 1438 CA VAL A1008 -17.500 5.020 -3.111 1.00 0.00 C ATOM 1439 C VAL A1008 -18.956 5.323 -3.522 1.00 0.00 C ATOM 1440 O VAL A1008 -19.786 5.619 -2.661 1.00 0.00 O ATOM 1441 CB VAL A1008 -16.569 6.177 -3.550 1.00 0.00 C ATOM 1442 CG1 VAL A1008 -17.126 7.525 -3.116 1.00 0.00 C ATOM 1443 CG2 VAL A1008 -15.169 5.975 -2.982 1.00 0.00 C ATOM 0 H VAL A1008 -16.180 3.788 -4.183 1.00 0.00 H new ATOM 0 HA VAL A1008 -17.468 4.943 -2.024 1.00 0.00 H new ATOM 0 HB VAL A1008 -16.513 6.170 -4.639 1.00 0.00 H new ATOM 0 HG11 VAL A1008 -16.451 8.318 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A1008 -18.106 7.676 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A1008 -17.220 7.547 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A1008 -14.526 6.796 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A1008 -15.218 5.952 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A1008 -14.761 5.033 -3.347 1.00 0.00 H new ATOM 1453 N PRO A1009 -19.306 5.238 -4.828 1.00 0.00 N ATOM 1454 CA PRO A1009 -20.669 5.537 -5.290 1.00 0.00 C ATOM 1455 C PRO A1009 -21.706 4.510 -4.826 1.00 0.00 C ATOM 1456 O PRO A1009 -22.907 4.781 -4.844 1.00 0.00 O ATOM 1457 CB PRO A1009 -20.549 5.518 -6.817 1.00 0.00 C ATOM 1458 CG PRO A1009 -19.365 4.665 -7.100 1.00 0.00 C ATOM 1459 CD PRO A1009 -18.417 4.878 -5.955 1.00 0.00 C ATOM 0 HA PRO A1009 -21.020 6.485 -4.884 1.00 0.00 H new ATOM 0 HB2 PRO A1009 -21.448 5.110 -7.278 1.00 0.00 H new ATOM 0 HB3 PRO A1009 -20.415 6.524 -7.215 1.00 0.00 H new ATOM 0 HG2 PRO A1009 -19.650 3.616 -7.180 1.00 0.00 H new ATOM 0 HG3 PRO A1009 -18.902 4.943 -8.047 1.00 0.00 H new ATOM 0 HD2 PRO A1009 -17.841 3.978 -5.739 1.00 0.00 H new ATOM 0 HD3 PRO A1009 -17.701 5.671 -6.170 1.00 0.00 H new ATOM 1467 N THR A1010 -21.249 3.336 -4.397 1.00 0.00 N ATOM 1468 CA THR A1010 -22.163 2.291 -3.952 1.00 0.00 C ATOM 1469 C THR A1010 -22.475 2.431 -2.463 1.00 0.00 C ATOM 1470 O THR A1010 -23.289 1.688 -1.908 1.00 0.00 O ATOM 1471 CB THR A1010 -21.612 0.878 -4.252 1.00 0.00 C ATOM 1472 OG1 THR A1010 -20.309 0.702 -3.677 1.00 0.00 O ATOM 1473 CG2 THR A1010 -21.536 0.642 -5.751 1.00 0.00 C ATOM 0 H THR A1010 -20.261 3.087 -4.349 1.00 0.00 H new ATOM 0 HA THR A1010 -23.087 2.416 -4.516 1.00 0.00 H new ATOM 0 HB THR A1010 -22.296 0.155 -3.807 1.00 0.00 H new ATOM 0 HG1 THR A1010 -20.091 1.477 -3.118 1.00 0.00 H new ATOM 0 HG21 THR A1010 -21.146 -0.358 -5.943 1.00 0.00 H new ATOM 0 HG22 THR A1010 -22.532 0.732 -6.184 1.00 0.00 H new ATOM 0 HG23 THR A1010 -20.875 1.382 -6.203 1.00 0.00 H new ATOM 1481 N ILE A1011 -21.827 3.397 -1.823 1.00 0.00 N ATOM 1482 CA ILE A1011 -22.080 3.696 -0.423 1.00 0.00 C ATOM 1483 C ILE A1011 -23.080 4.838 -0.318 1.00 0.00 C ATOM 1484 O ILE A1011 -22.946 5.850 -1.008 1.00 0.00 O ATOM 1485 CB ILE A1011 -20.783 4.094 0.307 1.00 0.00 C ATOM 1486 CG1 ILE A1011 -19.727 3.001 0.149 1.00 0.00 C ATOM 1487 CG2 ILE A1011 -21.057 4.357 1.782 1.00 0.00 C ATOM 1488 CD1 ILE A1011 -18.363 3.410 0.649 1.00 0.00 C ATOM 0 H ILE A1011 -21.118 3.989 -2.257 1.00 0.00 H new ATOM 0 HA ILE A1011 -22.481 2.798 0.047 1.00 0.00 H new ATOM 0 HB ILE A1011 -20.404 5.012 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A1011 -20.052 2.111 0.688 1.00 0.00 H new ATOM 0 HG13 ILE A1011 -19.653 2.727 -0.903 1.00 0.00 H new ATOM 0 HG21 ILE A1011 -20.129 4.637 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A1011 -21.779 5.167 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A1011 -21.459 3.455 2.244 1.00 0.00 H new ATOM 0 HD11 ILE A1011 -17.662 2.588 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A1011 -18.018 4.282 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A1011 -18.423 3.657 1.709 1.00 0.00 H new ATOM 1500 N GLN A1012 -24.087 4.675 0.524 1.00 0.00 N ATOM 1501 CA GLN A1012 -25.108 5.698 0.684 1.00 0.00 C ATOM 1502 C GLN A1012 -24.650 6.748 1.687 1.00 0.00 C ATOM 1503 O GLN A1012 -24.914 7.939 1.519 1.00 0.00 O ATOM 1504 CB GLN A1012 -26.430 5.069 1.132 1.00 0.00 C ATOM 1505 CG GLN A1012 -27.595 6.049 1.207 1.00 0.00 C ATOM 1506 CD GLN A1012 -28.117 6.495 -0.152 1.00 0.00 C ATOM 1507 OE1 GLN A1012 -27.251 6.558 -1.154 1.00 0.00 O flip ATOM 1508 NE2 GLN A1012 -29.302 6.792 -0.300 1.00 0.00 N flip ATOM 0 H GLN A1012 -24.220 3.848 1.105 1.00 0.00 H new ATOM 0 HA GLN A1012 -25.268 6.184 -0.279 1.00 0.00 H new ATOM 0 HB2 GLN A1012 -26.689 4.266 0.442 1.00 0.00 H new ATOM 0 HB3 GLN A1012 -26.289 4.614 2.112 1.00 0.00 H new ATOM 0 HG2 GLN A1012 -28.410 5.587 1.764 1.00 0.00 H new ATOM 0 HG3 GLN A1012 -27.282 6.928 1.771 1.00 0.00 H new ATOM 0 HE21 GLN A1012 -29.945 6.734 0.490 1.00 0.00 H new ATOM 0 HE22 GLN A1012 -29.641 7.097 -1.212 1.00 0.00 H new ATOM 1517 N ASP A1013 -23.954 6.296 2.721 1.00 0.00 N ATOM 1518 CA ASP A1013 -23.418 7.192 3.738 1.00 0.00 C ATOM 1519 C ASP A1013 -22.286 8.020 3.154 1.00 0.00 C ATOM 1520 O ASP A1013 -21.214 7.492 2.848 1.00 0.00 O ATOM 1521 CB ASP A1013 -22.907 6.400 4.947 1.00 0.00 C ATOM 1522 CG ASP A1013 -24.002 5.637 5.663 1.00 0.00 C ATOM 1523 OD1 ASP A1013 -24.305 4.498 5.256 1.00 0.00 O ATOM 1524 OD2 ASP A1013 -24.569 6.173 6.638 1.00 0.00 O ATOM 0 H ASP A1013 -23.746 5.310 2.879 1.00 0.00 H new ATOM 0 HA ASP A1013 -24.219 7.853 4.069 1.00 0.00 H new ATOM 0 HB2 ASP A1013 -22.140 5.699 4.617 1.00 0.00 H new ATOM 0 HB3 ASP A1013 -22.432 7.086 5.648 1.00 0.00 H new ATOM 1529 N GLN A1014 -22.527 9.317 2.992 1.00 0.00 N ATOM 1530 CA GLN A1014 -21.548 10.210 2.382 1.00 0.00 C ATOM 1531 C GLN A1014 -20.224 10.184 3.140 1.00 0.00 C ATOM 1532 O GLN A1014 -19.156 10.211 2.529 1.00 0.00 O ATOM 1533 CB GLN A1014 -22.073 11.647 2.304 1.00 0.00 C ATOM 1534 CG GLN A1014 -22.461 12.244 3.647 1.00 0.00 C ATOM 1535 CD GLN A1014 -22.565 13.754 3.599 1.00 0.00 C ATOM 1536 OE1 GLN A1014 -23.620 14.312 3.297 1.00 0.00 O ATOM 1537 NE2 GLN A1014 -21.467 14.426 3.903 1.00 0.00 N ATOM 0 H GLN A1014 -23.394 9.774 3.275 1.00 0.00 H new ATOM 0 HA GLN A1014 -21.377 9.848 1.368 1.00 0.00 H new ATOM 0 HB2 GLN A1014 -21.309 12.276 1.847 1.00 0.00 H new ATOM 0 HB3 GLN A1014 -22.941 11.669 1.645 1.00 0.00 H new ATOM 0 HG2 GLN A1014 -23.417 11.827 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A1014 -21.723 11.957 4.396 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -20.613 13.924 4.148 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -21.474 15.446 3.893 1.00 0.00 H new ATOM 1546 N ALA A1015 -20.296 10.111 4.465 1.00 0.00 N ATOM 1547 CA ALA A1015 -19.099 10.114 5.292 1.00 0.00 C ATOM 1548 C ALA A1015 -18.249 8.885 5.014 1.00 0.00 C ATOM 1549 O ALA A1015 -17.025 8.977 4.906 1.00 0.00 O ATOM 1550 CB ALA A1015 -19.468 10.183 6.764 1.00 0.00 C ATOM 0 H ALA A1015 -21.170 10.049 4.987 1.00 0.00 H new ATOM 0 HA ALA A1015 -18.514 10.998 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A1015 -18.560 10.184 7.367 1.00 0.00 H new ATOM 0 HB2 ALA A1015 -20.032 11.096 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A1015 -20.077 9.318 7.027 1.00 0.00 H new ATOM 1556 N SER A1016 -18.901 7.739 4.875 1.00 0.00 N ATOM 1557 CA SER A1016 -18.203 6.497 4.587 1.00 0.00 C ATOM 1558 C SER A1016 -17.592 6.548 3.191 1.00 0.00 C ATOM 1559 O SER A1016 -16.461 6.106 2.975 1.00 0.00 O ATOM 1560 CB SER A1016 -19.167 5.319 4.709 1.00 0.00 C ATOM 1561 OG SER A1016 -19.807 5.322 5.973 1.00 0.00 O ATOM 0 H SER A1016 -19.913 7.645 4.957 1.00 0.00 H new ATOM 0 HA SER A1016 -17.398 6.365 5.309 1.00 0.00 H new ATOM 0 HB2 SER A1016 -19.915 5.372 3.918 1.00 0.00 H new ATOM 0 HB3 SER A1016 -18.624 4.383 4.573 1.00 0.00 H new ATOM 0 HG SER A1016 -20.421 4.561 6.030 1.00 0.00 H new ATOM 1567 N ALA A1017 -18.338 7.122 2.253 1.00 0.00 N ATOM 1568 CA ALA A1017 -17.866 7.278 0.884 1.00 0.00 C ATOM 1569 C ALA A1017 -16.647 8.194 0.838 1.00 0.00 C ATOM 1570 O ALA A1017 -15.668 7.910 0.146 1.00 0.00 O ATOM 1571 CB ALA A1017 -18.981 7.825 0.003 1.00 0.00 C ATOM 0 H ALA A1017 -19.276 7.488 2.418 1.00 0.00 H new ATOM 0 HA ALA A1017 -17.571 6.300 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A1017 -18.616 7.937 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA A1017 -19.824 7.135 0.013 1.00 0.00 H new ATOM 0 HB3 ALA A1017 -19.302 8.795 0.382 1.00 0.00 H new ATOM 1577 N MET A1018 -16.706 9.286 1.595 1.00 0.00 N ATOM 1578 CA MET A1018 -15.606 10.242 1.647 1.00 0.00 C ATOM 1579 C MET A1018 -14.391 9.641 2.339 1.00 0.00 C ATOM 1580 O MET A1018 -13.257 9.995 2.025 1.00 0.00 O ATOM 1581 CB MET A1018 -16.029 11.529 2.360 1.00 0.00 C ATOM 1582 CG MET A1018 -17.078 12.331 1.607 1.00 0.00 C ATOM 1583 SD MET A1018 -17.465 13.900 2.408 1.00 0.00 S ATOM 1584 CE MET A1018 -15.883 14.736 2.305 1.00 0.00 C ATOM 0 H MET A1018 -17.504 9.530 2.181 1.00 0.00 H new ATOM 0 HA MET A1018 -15.336 10.486 0.619 1.00 0.00 H new ATOM 0 HB2 MET A1018 -16.418 11.276 3.346 1.00 0.00 H new ATOM 0 HB3 MET A1018 -15.149 12.154 2.515 1.00 0.00 H new ATOM 0 HG2 MET A1018 -16.724 12.523 0.594 1.00 0.00 H new ATOM 0 HG3 MET A1018 -17.989 11.738 1.520 1.00 0.00 H new ATOM 0 HE1 MET A1018 -16.033 15.811 2.403 1.00 0.00 H new ATOM 0 HE2 MET A1018 -15.233 14.385 3.107 1.00 0.00 H new ATOM 0 HE3 MET A1018 -15.420 14.521 1.342 1.00 0.00 H new ATOM 1594 N GLN A1019 -14.625 8.731 3.276 1.00 0.00 N ATOM 1595 CA GLN A1019 -13.533 8.068 3.974 1.00 0.00 C ATOM 1596 C GLN A1019 -12.734 7.208 2.998 1.00 0.00 C ATOM 1597 O GLN A1019 -11.505 7.265 2.968 1.00 0.00 O ATOM 1598 CB GLN A1019 -14.066 7.218 5.131 1.00 0.00 C ATOM 1599 CG GLN A1019 -12.971 6.629 6.008 1.00 0.00 C ATOM 1600 CD GLN A1019 -13.516 5.926 7.236 1.00 0.00 C ATOM 1601 OE1 GLN A1019 -13.800 4.730 7.211 1.00 0.00 O ATOM 1602 NE2 GLN A1019 -13.658 6.666 8.324 1.00 0.00 N ATOM 0 H GLN A1019 -15.557 8.437 3.569 1.00 0.00 H new ATOM 0 HA GLN A1019 -12.873 8.829 4.391 1.00 0.00 H new ATOM 0 HB2 GLN A1019 -14.724 7.830 5.748 1.00 0.00 H new ATOM 0 HB3 GLN A1019 -14.672 6.407 4.726 1.00 0.00 H new ATOM 0 HG2 GLN A1019 -12.383 5.923 5.422 1.00 0.00 H new ATOM 0 HG3 GLN A1019 -12.295 7.425 6.321 1.00 0.00 H new ATOM 0 HE21 GLN A1019 -13.411 7.655 8.304 1.00 0.00 H new ATOM 0 HE22 GLN A1019 -14.015 6.247 9.183 1.00 0.00 H new ATOM 1611 N LEU A1020 -13.444 6.431 2.184 1.00 0.00 N ATOM 1612 CA LEU A1020 -12.806 5.637 1.143 1.00 0.00 C ATOM 1613 C LEU A1020 -12.118 6.535 0.129 1.00 0.00 C ATOM 1614 O LEU A1020 -10.979 6.282 -0.265 1.00 0.00 O ATOM 1615 CB LEU A1020 -13.823 4.742 0.433 1.00 0.00 C ATOM 1616 CG LEU A1020 -13.992 3.351 1.039 1.00 0.00 C ATOM 1617 CD1 LEU A1020 -15.013 2.547 0.252 1.00 0.00 C ATOM 1618 CD2 LEU A1020 -12.657 2.633 1.061 1.00 0.00 C ATOM 0 H LEU A1020 -14.459 6.336 2.227 1.00 0.00 H new ATOM 0 HA LEU A1020 -12.059 5.004 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A1020 -14.791 5.243 0.437 1.00 0.00 H new ATOM 0 HB3 LEU A1020 -13.524 4.634 -0.610 1.00 0.00 H new ATOM 0 HG LEU A1020 -14.355 3.455 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A1020 -15.120 1.558 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A1020 -15.974 3.060 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A1020 -14.678 2.444 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A1020 -12.784 1.641 1.495 1.00 0.00 H new ATOM 0 HD22 LEU A1020 -12.278 2.538 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A1020 -11.947 3.203 1.661 1.00 0.00 H new ATOM 1630 N SER A1021 -12.814 7.591 -0.276 1.00 0.00 N ATOM 1631 CA SER A1021 -12.285 8.542 -1.241 1.00 0.00 C ATOM 1632 C SER A1021 -10.982 9.164 -0.735 1.00 0.00 C ATOM 1633 O SER A1021 -10.056 9.409 -1.509 1.00 0.00 O ATOM 1634 CB SER A1021 -13.325 9.631 -1.518 1.00 0.00 C ATOM 1635 OG SER A1021 -12.875 10.540 -2.508 1.00 0.00 O ATOM 0 H SER A1021 -13.754 7.810 0.054 1.00 0.00 H new ATOM 0 HA SER A1021 -12.067 8.013 -2.169 1.00 0.00 H new ATOM 0 HB2 SER A1021 -14.258 9.170 -1.843 1.00 0.00 H new ATOM 0 HB3 SER A1021 -13.541 10.172 -0.597 1.00 0.00 H new ATOM 0 HG SER A1021 -13.562 11.222 -2.663 1.00 0.00 H new ATOM 1641 N GLN A1022 -10.914 9.399 0.569 1.00 0.00 N ATOM 1642 CA GLN A1022 -9.732 9.982 1.187 1.00 0.00 C ATOM 1643 C GLN A1022 -8.598 8.963 1.274 1.00 0.00 C ATOM 1644 O GLN A1022 -7.465 9.247 0.879 1.00 0.00 O ATOM 1645 CB GLN A1022 -10.072 10.496 2.584 1.00 0.00 C ATOM 1646 CG GLN A1022 -8.872 11.013 3.357 1.00 0.00 C ATOM 1647 CD GLN A1022 -9.223 11.383 4.781 1.00 0.00 C ATOM 1648 OE1 GLN A1022 -9.567 12.529 5.073 1.00 0.00 O ATOM 1649 NE2 GLN A1022 -9.137 10.415 5.679 1.00 0.00 N ATOM 0 H GLN A1022 -11.670 9.193 1.222 1.00 0.00 H new ATOM 0 HA GLN A1022 -9.400 10.813 0.565 1.00 0.00 H new ATOM 0 HB2 GLN A1022 -10.808 11.295 2.497 1.00 0.00 H new ATOM 0 HB3 GLN A1022 -10.540 9.692 3.153 1.00 0.00 H new ATOM 0 HG2 GLN A1022 -8.091 10.252 3.363 1.00 0.00 H new ATOM 0 HG3 GLN A1022 -8.463 11.885 2.848 1.00 0.00 H new ATOM 0 HE21 GLN A1022 -8.848 9.479 5.394 1.00 0.00 H new ATOM 0 HE22 GLN A1022 -9.360 10.605 6.656 1.00 0.00 H new ATOM 1658 N CYS A1023 -8.903 7.780 1.793 1.00 0.00 N ATOM 1659 CA CYS A1023 -7.883 6.763 2.006 1.00 0.00 C ATOM 1660 C CYS A1023 -7.311 6.252 0.689 1.00 0.00 C ATOM 1661 O CYS A1023 -6.098 6.104 0.558 1.00 0.00 O ATOM 1662 CB CYS A1023 -8.437 5.608 2.840 1.00 0.00 C ATOM 1663 SG CYS A1023 -8.820 6.061 4.548 1.00 0.00 S ATOM 0 H CYS A1023 -9.844 7.503 2.073 1.00 0.00 H new ATOM 0 HA CYS A1023 -7.067 7.229 2.558 1.00 0.00 H new ATOM 0 HB2 CYS A1023 -9.341 5.228 2.363 1.00 0.00 H new ATOM 0 HB3 CYS A1023 -7.712 4.794 2.843 1.00 0.00 H new ATOM 0 HG CYS A1023 -9.963 6.680 4.587 1.00 0.00 H new ATOM 1669 N ALA A1024 -8.169 6.014 -0.294 1.00 0.00 N ATOM 1670 CA ALA A1024 -7.713 5.551 -1.597 1.00 0.00 C ATOM 1671 C ALA A1024 -6.829 6.601 -2.262 1.00 0.00 C ATOM 1672 O ALA A1024 -5.899 6.275 -2.997 1.00 0.00 O ATOM 1673 CB ALA A1024 -8.896 5.214 -2.490 1.00 0.00 C ATOM 0 H ALA A1024 -9.179 6.133 -0.215 1.00 0.00 H new ATOM 0 HA ALA A1024 -7.123 4.647 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A1024 -8.534 4.870 -3.459 1.00 0.00 H new ATOM 0 HB2 ALA A1024 -9.491 4.428 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A1024 -9.513 6.102 -2.628 1.00 0.00 H new ATOM 1679 N LYS A1025 -7.119 7.863 -1.975 1.00 0.00 N ATOM 1680 CA LYS A1025 -6.373 8.971 -2.550 1.00 0.00 C ATOM 1681 C LYS A1025 -4.974 9.066 -1.943 1.00 0.00 C ATOM 1682 O LYS A1025 -3.994 9.308 -2.657 1.00 0.00 O ATOM 1683 CB LYS A1025 -7.143 10.278 -2.342 1.00 0.00 C ATOM 1684 CG LYS A1025 -6.434 11.511 -2.880 1.00 0.00 C ATOM 1685 CD LYS A1025 -7.342 12.730 -2.859 1.00 0.00 C ATOM 1686 CE LYS A1025 -7.883 13.016 -1.468 1.00 0.00 C ATOM 1687 NZ LYS A1025 -8.727 14.239 -1.440 1.00 0.00 N ATOM 0 H LYS A1025 -7.870 8.144 -1.344 1.00 0.00 H new ATOM 0 HA LYS A1025 -6.258 8.794 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A1025 -8.117 10.193 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS A1025 -7.325 10.414 -1.276 1.00 0.00 H new ATOM 0 HG2 LYS A1025 -5.544 11.709 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A1025 -6.099 11.323 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS A1025 -6.790 13.599 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A1025 -8.174 12.574 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A1025 -8.469 12.163 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS A1025 -7.052 13.133 -0.773 1.00 0.00 H new ATOM 0 HZ1 LYS A1025 -9.076 14.398 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A1025 -8.162 15.058 -1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A1025 -9.535 14.118 -2.084 1.00 0.00 H new ATOM 1701 N ASN A1026 -4.871 8.858 -0.634 1.00 0.00 N ATOM 1702 CA ASN A1026 -3.576 8.948 0.031 1.00 0.00 C ATOM 1703 C ASN A1026 -2.785 7.652 -0.154 1.00 0.00 C ATOM 1704 O ASN A1026 -1.563 7.683 -0.281 1.00 0.00 O ATOM 1705 CB ASN A1026 -3.717 9.309 1.522 1.00 0.00 C ATOM 1706 CG ASN A1026 -4.099 8.149 2.419 1.00 0.00 C ATOM 1707 OD1 ASN A1026 -5.368 8.069 2.764 1.00 0.00 O flip ATOM 1708 ND2 ASN A1026 -3.252 7.362 2.838 1.00 0.00 N flip ATOM 0 H ASN A1026 -5.654 8.630 -0.022 1.00 0.00 H new ATOM 0 HA ASN A1026 -3.020 9.759 -0.439 1.00 0.00 H new ATOM 0 HB2 ASN A1026 -2.773 9.726 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A1026 -4.468 10.092 1.623 1.00 0.00 H new ATOM 0 HD21 ASN A1026 -2.279 7.457 2.547 1.00 0.00 H new ATOM 0 HD22 ASN A1026 -3.522 6.614 3.476 1.00 0.00 H new ATOM 1715 N LEU A1027 -3.489 6.520 -0.198 1.00 0.00 N ATOM 1716 CA LEU A1027 -2.858 5.232 -0.471 1.00 0.00 C ATOM 1717 C LEU A1027 -2.284 5.223 -1.881 1.00 0.00 C ATOM 1718 O LEU A1027 -1.173 4.743 -2.106 1.00 0.00 O ATOM 1719 CB LEU A1027 -3.868 4.088 -0.311 1.00 0.00 C ATOM 1720 CG LEU A1027 -3.336 2.688 -0.645 1.00 0.00 C ATOM 1721 CD1 LEU A1027 -2.212 2.296 0.303 1.00 0.00 C ATOM 1722 CD2 LEU A1027 -4.460 1.661 -0.595 1.00 0.00 C ATOM 0 H LEU A1027 -4.497 6.471 -0.048 1.00 0.00 H new ATOM 0 HA LEU A1027 -2.051 5.084 0.247 1.00 0.00 H new ATOM 0 HB2 LEU A1027 -4.228 4.085 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A1027 -4.728 4.293 -0.949 1.00 0.00 H new ATOM 0 HG LEU A1027 -2.935 2.711 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A1027 -1.851 1.300 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A1027 -1.395 3.012 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A1027 -2.584 2.295 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A1027 -4.063 0.675 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A1027 -4.893 1.644 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A1027 -5.229 1.928 -1.319 1.00 0.00 H new ATOM 1734 N GLY A1028 -3.042 5.774 -2.824 1.00 0.00 N ATOM 1735 CA GLY A1028 -2.570 5.885 -4.190 1.00 0.00 C ATOM 1736 C GLY A1028 -1.284 6.681 -4.283 1.00 0.00 C ATOM 1737 O GLY A1028 -0.376 6.322 -5.031 1.00 0.00 O ATOM 0 H GLY A1028 -3.978 6.147 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A1028 -2.410 4.888 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A1028 -3.337 6.362 -4.801 1.00 0.00 H new ATOM 1741 N THR A1029 -1.199 7.750 -3.503 1.00 0.00 N ATOM 1742 CA THR A1029 -0.009 8.586 -3.478 1.00 0.00 C ATOM 1743 C THR A1029 1.117 7.897 -2.704 1.00 0.00 C ATOM 1744 O THR A1029 2.298 8.063 -3.019 1.00 0.00 O ATOM 1745 CB THR A1029 -0.308 9.958 -2.846 1.00 0.00 C ATOM 1746 OG1 THR A1029 -1.496 10.514 -3.432 1.00 0.00 O ATOM 1747 CG2 THR A1029 0.856 10.918 -3.050 1.00 0.00 C ATOM 0 H THR A1029 -1.943 8.059 -2.878 1.00 0.00 H new ATOM 0 HA THR A1029 0.308 8.740 -4.509 1.00 0.00 H new ATOM 0 HB THR A1029 -0.456 9.816 -1.776 1.00 0.00 H new ATOM 0 HG1 THR A1029 -2.282 10.040 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A1029 0.619 11.879 -2.594 1.00 0.00 H new ATOM 0 HG22 THR A1029 1.752 10.507 -2.585 1.00 0.00 H new ATOM 0 HG23 THR A1029 1.031 11.056 -4.117 1.00 0.00 H new ATOM 1755 N ALA A1030 0.743 7.126 -1.690 1.00 0.00 N ATOM 1756 CA ALA A1030 1.704 6.343 -0.925 1.00 0.00 C ATOM 1757 C ALA A1030 2.359 5.301 -1.822 1.00 0.00 C ATOM 1758 O ALA A1030 3.577 5.124 -1.811 1.00 0.00 O ATOM 1759 CB ALA A1030 1.015 5.674 0.257 1.00 0.00 C ATOM 0 H ALA A1030 -0.223 7.027 -1.378 1.00 0.00 H new ATOM 0 HA ALA A1030 2.478 7.008 -0.541 1.00 0.00 H new ATOM 0 HB1 ALA A1030 1.744 5.092 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A1030 0.581 6.436 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A1030 0.227 5.015 -0.107 1.00 0.00 H new ATOM 1765 N LEU A1031 1.535 4.630 -2.613 1.00 0.00 N ATOM 1766 CA LEU A1031 2.012 3.647 -3.572 1.00 0.00 C ATOM 1767 C LEU A1031 2.756 4.325 -4.710 1.00 0.00 C ATOM 1768 O LEU A1031 3.663 3.747 -5.296 1.00 0.00 O ATOM 1769 CB LEU A1031 0.839 2.849 -4.135 1.00 0.00 C ATOM 1770 CG LEU A1031 0.063 2.036 -3.103 1.00 0.00 C ATOM 1771 CD1 LEU A1031 -1.185 1.446 -3.730 1.00 0.00 C ATOM 1772 CD2 LEU A1031 0.941 0.937 -2.529 1.00 0.00 C ATOM 0 H LEU A1031 0.522 4.751 -2.608 1.00 0.00 H new ATOM 0 HA LEU A1031 2.695 2.972 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A1031 0.151 3.538 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A1031 1.214 2.172 -4.903 1.00 0.00 H new ATOM 0 HG LEU A1031 -0.238 2.697 -2.290 1.00 0.00 H new ATOM 0 HD11 LEU A1031 -1.729 0.868 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A1031 -1.821 2.250 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A1031 -0.903 0.795 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A1031 0.374 0.365 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A1031 1.267 0.275 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A1031 1.813 1.381 -2.049 1.00 0.00 H new ATOM 1784 N ALA A1032 2.356 5.553 -5.014 1.00 0.00 N ATOM 1785 CA ALA A1032 2.965 6.327 -6.088 1.00 0.00 C ATOM 1786 C ALA A1032 4.467 6.472 -5.882 1.00 0.00 C ATOM 1787 O ALA A1032 5.259 6.025 -6.714 1.00 0.00 O ATOM 1788 CB ALA A1032 2.307 7.696 -6.187 1.00 0.00 C ATOM 0 H ALA A1032 1.604 6.039 -4.526 1.00 0.00 H new ATOM 0 HA ALA A1032 2.807 5.790 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A1032 2.770 8.265 -6.993 1.00 0.00 H new ATOM 0 HB2 ALA A1032 1.244 7.575 -6.394 1.00 0.00 H new ATOM 0 HB3 ALA A1032 2.435 8.230 -5.246 1.00 0.00 H new ATOM 1794 N GLU A1033 4.860 7.071 -4.763 1.00 0.00 N ATOM 1795 CA GLU A1033 6.272 7.294 -4.484 1.00 0.00 C ATOM 1796 C GLU A1033 7.001 5.974 -4.255 1.00 0.00 C ATOM 1797 O GLU A1033 8.156 5.820 -4.649 1.00 0.00 O ATOM 1798 CB GLU A1033 6.457 8.228 -3.283 1.00 0.00 C ATOM 1799 CG GLU A1033 5.810 7.734 -1.999 1.00 0.00 C ATOM 1800 CD GLU A1033 6.144 8.616 -0.815 1.00 0.00 C ATOM 1801 OE1 GLU A1033 7.292 8.554 -0.325 1.00 0.00 O ATOM 1802 OE2 GLU A1033 5.257 9.372 -0.363 1.00 0.00 O ATOM 0 H GLU A1033 4.225 7.408 -4.040 1.00 0.00 H new ATOM 0 HA GLU A1033 6.709 7.776 -5.359 1.00 0.00 H new ATOM 0 HB2 GLU A1033 7.524 8.368 -3.108 1.00 0.00 H new ATOM 0 HB3 GLU A1033 6.044 9.206 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A1033 4.728 7.698 -2.130 1.00 0.00 H new ATOM 0 HG3 GLU A1033 6.141 6.715 -1.796 1.00 0.00 H new ATOM 1809 N LEU A1034 6.316 5.017 -3.633 1.00 0.00 N ATOM 1810 CA LEU A1034 6.875 3.688 -3.406 1.00 0.00 C ATOM 1811 C LEU A1034 7.204 3.015 -4.734 1.00 0.00 C ATOM 1812 O LEU A1034 8.299 2.487 -4.924 1.00 0.00 O ATOM 1813 CB LEU A1034 5.882 2.828 -2.615 1.00 0.00 C ATOM 1814 CG LEU A1034 6.325 1.388 -2.345 1.00 0.00 C ATOM 1815 CD1 LEU A1034 7.555 1.362 -1.452 1.00 0.00 C ATOM 1816 CD2 LEU A1034 5.191 0.590 -1.718 1.00 0.00 C ATOM 0 H LEU A1034 5.368 5.139 -3.276 1.00 0.00 H new ATOM 0 HA LEU A1034 7.794 3.791 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A1034 5.688 3.315 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A1034 4.937 2.803 -3.158 1.00 0.00 H new ATOM 0 HG LEU A1034 6.586 0.926 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A1034 7.853 0.329 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A1034 8.371 1.895 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A1034 7.325 1.843 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A1034 5.524 -0.431 -1.533 1.00 0.00 H new ATOM 0 HD22 LEU A1034 4.898 1.053 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A1034 4.338 0.576 -2.396 1.00 0.00 H new ATOM 1828 N ARG A1035 6.249 3.058 -5.650 1.00 0.00 N ATOM 1829 CA ARG A1035 6.402 2.468 -6.973 1.00 0.00 C ATOM 1830 C ARG A1035 7.520 3.160 -7.745 1.00 0.00 C ATOM 1831 O ARG A1035 8.372 2.501 -8.343 1.00 0.00 O ATOM 1832 CB ARG A1035 5.074 2.575 -7.726 1.00 0.00 C ATOM 1833 CG ARG A1035 5.057 1.918 -9.092 1.00 0.00 C ATOM 1834 CD ARG A1035 3.677 2.027 -9.717 1.00 0.00 C ATOM 1835 NE ARG A1035 3.603 1.400 -11.034 1.00 0.00 N ATOM 1836 CZ ARG A1035 2.574 1.547 -11.868 1.00 0.00 C ATOM 1837 NH1 ARG A1035 1.520 2.274 -11.510 1.00 0.00 N ATOM 1838 NH2 ARG A1035 2.592 0.961 -13.058 1.00 0.00 N ATOM 0 H ARG A1035 5.344 3.503 -5.498 1.00 0.00 H new ATOM 0 HA ARG A1035 6.673 1.417 -6.871 1.00 0.00 H new ATOM 0 HB2 ARG A1035 4.290 2.128 -7.115 1.00 0.00 H new ATOM 0 HB3 ARG A1035 4.824 3.629 -7.844 1.00 0.00 H new ATOM 0 HG2 ARG A1035 5.795 2.392 -9.739 1.00 0.00 H new ATOM 0 HG3 ARG A1035 5.340 0.869 -9.001 1.00 0.00 H new ATOM 0 HD2 ARG A1035 2.946 1.562 -9.056 1.00 0.00 H new ATOM 0 HD3 ARG A1035 3.404 3.079 -9.804 1.00 0.00 H new ATOM 0 HE ARG A1035 4.384 0.816 -11.333 1.00 0.00 H new ATOM 0 HH11 ARG A1035 1.497 2.722 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A1035 0.735 2.384 -12.151 1.00 0.00 H new ATOM 0 HH21 ARG A1035 3.395 0.396 -13.336 1.00 0.00 H new ATOM 0 HH22 ARG A1035 1.803 1.075 -13.695 1.00 0.00 H new ATOM 1852 N THR A1036 7.521 4.488 -7.713 1.00 0.00 N ATOM 1853 CA THR A1036 8.551 5.272 -8.379 1.00 0.00 C ATOM 1854 C THR A1036 9.934 4.968 -7.797 1.00 0.00 C ATOM 1855 O THR A1036 10.903 4.778 -8.538 1.00 0.00 O ATOM 1856 CB THR A1036 8.251 6.782 -8.261 1.00 0.00 C ATOM 1857 OG1 THR A1036 6.985 7.073 -8.866 1.00 0.00 O ATOM 1858 CG2 THR A1036 9.335 7.617 -8.927 1.00 0.00 C ATOM 0 H THR A1036 6.816 5.045 -7.230 1.00 0.00 H new ATOM 0 HA THR A1036 8.549 4.994 -9.433 1.00 0.00 H new ATOM 0 HB THR A1036 8.225 7.038 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A1036 6.263 6.795 -8.264 1.00 0.00 H new ATOM 0 HG21 THR A1036 9.093 8.675 -8.826 1.00 0.00 H new ATOM 0 HG22 THR A1036 10.294 7.417 -8.449 1.00 0.00 H new ATOM 0 HG23 THR A1036 9.396 7.358 -9.984 1.00 0.00 H new ATOM 1866 N ALA A1037 10.014 4.905 -6.473 1.00 0.00 N ATOM 1867 CA ALA A1037 11.271 4.620 -5.797 1.00 0.00 C ATOM 1868 C ALA A1037 11.754 3.210 -6.115 1.00 0.00 C ATOM 1869 O ALA A1037 12.924 3.006 -6.439 1.00 0.00 O ATOM 1870 CB ALA A1037 11.122 4.807 -4.292 1.00 0.00 C ATOM 0 H ALA A1037 9.222 5.048 -5.847 1.00 0.00 H new ATOM 0 HA ALA A1037 12.019 5.324 -6.162 1.00 0.00 H new ATOM 0 HB1 ALA A1037 12.071 4.590 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A1037 10.832 5.836 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A1037 10.356 4.129 -3.915 1.00 0.00 H new ATOM 1876 N ALA A1038 10.844 2.242 -6.043 1.00 0.00 N ATOM 1877 CA ALA A1038 11.177 0.849 -6.316 1.00 0.00 C ATOM 1878 C ALA A1038 11.639 0.665 -7.755 1.00 0.00 C ATOM 1879 O ALA A1038 12.563 -0.104 -8.025 1.00 0.00 O ATOM 1880 CB ALA A1038 9.985 -0.051 -6.025 1.00 0.00 C ATOM 0 H ALA A1038 9.867 2.399 -5.797 1.00 0.00 H new ATOM 0 HA ALA A1038 11.999 0.567 -5.658 1.00 0.00 H new ATOM 0 HB1 ALA A1038 10.252 -1.087 -6.234 1.00 0.00 H new ATOM 0 HB2 ALA A1038 9.703 0.046 -4.977 1.00 0.00 H new ATOM 0 HB3 ALA A1038 9.145 0.242 -6.655 1.00 0.00 H new ATOM 1886 N GLN A1039 10.998 1.372 -8.678 1.00 0.00 N ATOM 1887 CA GLN A1039 11.374 1.297 -10.082 1.00 0.00 C ATOM 1888 C GLN A1039 12.781 1.848 -10.280 1.00 0.00 C ATOM 1889 O GLN A1039 13.598 1.247 -10.972 1.00 0.00 O ATOM 1890 CB GLN A1039 10.380 2.061 -10.961 1.00 0.00 C ATOM 1891 CG GLN A1039 10.632 1.873 -12.449 1.00 0.00 C ATOM 1892 CD GLN A1039 9.602 2.564 -13.325 1.00 0.00 C ATOM 1893 OE1 GLN A1039 9.102 3.708 -12.884 1.00 0.00 O flip ATOM 1894 NE2 GLN A1039 9.278 2.080 -14.408 1.00 0.00 N flip ATOM 0 H GLN A1039 10.219 2.000 -8.480 1.00 0.00 H new ATOM 0 HA GLN A1039 11.356 0.249 -10.381 1.00 0.00 H new ATOM 0 HB2 GLN A1039 9.368 1.731 -10.726 1.00 0.00 H new ATOM 0 HB3 GLN A1039 10.433 3.123 -10.721 1.00 0.00 H new ATOM 0 HG2 GLN A1039 11.623 2.256 -12.694 1.00 0.00 H new ATOM 0 HG3 GLN A1039 10.637 0.807 -12.678 1.00 0.00 H new ATOM 0 HE21 GLN A1039 9.685 1.196 -14.714 1.00 0.00 H new ATOM 0 HE22 GLN A1039 8.602 2.562 -15.000 1.00 0.00 H new ATOM 1903 N LYS A1040 13.065 2.986 -9.653 1.00 0.00 N ATOM 1904 CA LYS A1040 14.385 3.596 -9.757 1.00 0.00 C ATOM 1905 C LYS A1040 15.437 2.708 -9.112 1.00 0.00 C ATOM 1906 O LYS A1040 16.497 2.472 -9.689 1.00 0.00 O ATOM 1907 CB LYS A1040 14.401 4.983 -9.106 1.00 0.00 C ATOM 1908 CG LYS A1040 13.551 6.008 -9.836 1.00 0.00 C ATOM 1909 CD LYS A1040 13.646 7.380 -9.188 1.00 0.00 C ATOM 1910 CE LYS A1040 12.840 8.407 -9.965 1.00 0.00 C ATOM 1911 NZ LYS A1040 12.960 9.771 -9.386 1.00 0.00 N ATOM 0 H LYS A1040 12.403 3.501 -9.072 1.00 0.00 H new ATOM 0 HA LYS A1040 14.619 3.708 -10.816 1.00 0.00 H new ATOM 0 HB2 LYS A1040 14.048 4.897 -8.078 1.00 0.00 H new ATOM 0 HB3 LYS A1040 15.429 5.342 -9.061 1.00 0.00 H new ATOM 0 HG2 LYS A1040 13.872 6.073 -10.876 1.00 0.00 H new ATOM 0 HG3 LYS A1040 12.512 5.680 -9.844 1.00 0.00 H new ATOM 0 HD2 LYS A1040 13.282 7.327 -8.162 1.00 0.00 H new ATOM 0 HD3 LYS A1040 14.689 7.692 -9.140 1.00 0.00 H new ATOM 0 HE2 LYS A1040 13.178 8.423 -11.001 1.00 0.00 H new ATOM 0 HE3 LYS A1040 11.791 8.110 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A1040 12.394 10.438 -9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A1040 12.613 9.764 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A1040 13.957 10.067 -9.398 1.00 0.00 H new ATOM 1925 N ALA A1041 15.121 2.199 -7.928 1.00 0.00 N ATOM 1926 CA ALA A1041 16.051 1.377 -7.165 1.00 0.00 C ATOM 1927 C ALA A1041 16.413 0.093 -7.903 1.00 0.00 C ATOM 1928 O ALA A1041 17.533 -0.395 -7.793 1.00 0.00 O ATOM 1929 CB ALA A1041 15.464 1.047 -5.802 1.00 0.00 C ATOM 0 H ALA A1041 14.220 2.343 -7.472 1.00 0.00 H new ATOM 0 HA ALA A1041 16.967 1.953 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A1041 16.168 0.432 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A1041 15.273 1.970 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A1041 14.529 0.501 -5.931 1.00 0.00 H new ATOM 1935 N GLN A1042 15.468 -0.452 -8.656 1.00 0.00 N ATOM 1936 CA GLN A1042 15.704 -1.706 -9.359 1.00 0.00 C ATOM 1937 C GLN A1042 16.590 -1.490 -10.584 1.00 0.00 C ATOM 1938 O GLN A1042 17.544 -2.239 -10.811 1.00 0.00 O ATOM 1939 CB GLN A1042 14.385 -2.353 -9.779 1.00 0.00 C ATOM 1940 CG GLN A1042 14.556 -3.788 -10.241 1.00 0.00 C ATOM 1941 CD GLN A1042 13.266 -4.428 -10.714 1.00 0.00 C ATOM 1942 OE1 GLN A1042 12.389 -3.642 -11.325 1.00 0.00 O flip ATOM 1943 NE2 GLN A1042 13.070 -5.631 -10.554 1.00 0.00 N flip ATOM 0 H GLN A1042 14.540 -0.051 -8.795 1.00 0.00 H new ATOM 0 HA GLN A1042 16.219 -2.376 -8.671 1.00 0.00 H new ATOM 0 HB2 GLN A1042 13.689 -2.326 -8.940 1.00 0.00 H new ATOM 0 HB3 GLN A1042 13.938 -1.768 -10.583 1.00 0.00 H new ATOM 0 HG2 GLN A1042 15.285 -3.816 -11.051 1.00 0.00 H new ATOM 0 HG3 GLN A1042 14.967 -4.379 -9.422 1.00 0.00 H new ATOM 0 HE21 GLN A1042 13.768 -6.203 -10.079 1.00 0.00 H new ATOM 0 HE22 GLN A1042 12.209 -6.057 -10.896 1.00 0.00 H new ATOM 1952 N GLU A1043 16.291 -0.453 -11.357 1.00 0.00 N ATOM 1953 CA GLU A1043 17.012 -0.193 -12.600 1.00 0.00 C ATOM 1954 C GLU A1043 18.387 0.410 -12.323 1.00 0.00 C ATOM 1955 O GLU A1043 19.231 0.490 -13.214 1.00 0.00 O ATOM 1956 CB GLU A1043 16.208 0.755 -13.493 1.00 0.00 C ATOM 1957 CG GLU A1043 14.753 0.351 -13.665 1.00 0.00 C ATOM 1958 CD GLU A1043 14.578 -1.016 -14.299 1.00 0.00 C ATOM 1959 OE1 GLU A1043 14.723 -1.129 -15.533 1.00 0.00 O ATOM 1960 OE2 GLU A1043 14.321 -1.991 -13.561 1.00 0.00 O ATOM 0 H GLU A1043 15.555 0.222 -11.147 1.00 0.00 H new ATOM 0 HA GLU A1043 17.147 -1.146 -13.112 1.00 0.00 H new ATOM 0 HB2 GLU A1043 16.249 1.759 -13.070 1.00 0.00 H new ATOM 0 HB3 GLU A1043 16.680 0.803 -14.474 1.00 0.00 H new ATOM 0 HG2 GLU A1043 14.265 0.357 -12.691 1.00 0.00 H new ATOM 0 HG3 GLU A1043 14.247 1.096 -14.279 1.00 0.00 H new ATOM 1967 N ALA A1044 18.603 0.833 -11.085 1.00 0.00 N ATOM 1968 CA ALA A1044 19.862 1.444 -10.692 1.00 0.00 C ATOM 1969 C ALA A1044 20.892 0.383 -10.331 1.00 0.00 C ATOM 1970 O ALA A1044 21.792 0.120 -11.154 1.00 0.00 O ATOM 1971 CB ALA A1044 19.643 2.392 -9.525 1.00 0.00 C ATOM 1972 OXT ALA A1044 20.785 -0.205 -9.235 1.00 0.00 O ATOM 0 H ALA A1044 17.917 0.763 -10.333 1.00 0.00 H new ATOM 0 HA ALA A1044 20.246 2.013 -11.539 1.00 0.00 H new ATOM 0 HB1 ALA A1044 20.593 2.843 -9.240 1.00 0.00 H new ATOM 0 HB2 ALA A1044 18.943 3.174 -9.818 1.00 0.00 H new ATOM 0 HB3 ALA A1044 19.235 1.839 -8.679 1.00 0.00 H new TER 1978 ALA A1044