USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1027 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 986 MET CE :methyl -113:sc= -3.26! (180deg=-5.68!) USER MOD Set 1.2: A1034 ASN : amide:sc= -0.584 K(o=-3.8,f=-6.8!) USER MOD Set 2.1: A 951 TYR OH : rot 130:sc= 1.01 USER MOD Set 2.2: A1018 LYS NZ :NH3+ 163:sc= 1.2 (180deg=0) USER MOD Set 3.1: A1006 GLN :FLIP amide:sc= 0.514 F(o=-1.1!,f=0.94) USER MOD Set 3.2: A1007 GLN :FLIP amide:sc= 0.429 F(o=-1.1,f=0.94) USER MOD Set 4.1: A1001 LYS NZ :NH3+ 172:sc= -0.943 (180deg=-1.41) USER MOD Set 4.2: A1020 GLN : amide:sc= 0.177 K(o=-0.77,f=-11!) USER MOD Set 5.1: A 954 MET CE :methyl -137:sc= -0.368 (180deg=0) USER MOD Set 5.2: A1002 MET CE :methyl -127:sc= -2.99! (180deg=-6.23!) USER MOD Set 5.3: A1021 MET CE :methyl -138:sc= -0.72 (180deg=-1.92!) USER MOD Single : A 921 SER OG : rot 180:sc= 0 USER MOD Single : A 922 ASN : amide:sc= 0.978 K(o=0.98,f=-0.44) USER MOD Single : A 924 LYS NZ :NH3+ 168:sc= -0.0329 (180deg=-0.203) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -3.27! C(o=-3.3!,f=-14!) USER MOD Single : A 930 THR OG1 : rot 21:sc= 1.18 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl -140:sc= -0.0152 (180deg=-2.01!) USER MOD Single : A 940 SER OG : rot 25:sc= 0.572 USER MOD Single : A 941 SER OG : rot 75:sc= 1.05 USER MOD Single : A 942 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0908) USER MOD Single : A 944 GLN : amide:sc= -0.025 X(o=-0.025,f=-0.47) USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 968 THR OG1 : rot 40:sc= -2.48! USER MOD Single : A 972 SER OG : rot -141:sc= -3.64! USER MOD Single : A 979 SER OG : rot 0:sc= 1.1 USER MOD Single : A 980 THR OG1 : rot -179:sc= -2.27 USER MOD Single : A 981 HIS : no HE2:sc= 0.361 K(o=0.36,f=-2.7!) USER MOD Single : A 988 GLN : amide:sc= -0.552 K(o=-0.55,f=-2.3) USER MOD Single : A 989 LYS NZ :NH3+ 169:sc= -0.021 (180deg=-0.156) USER MOD Single : A 992 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= 0.651 K(o=0.65,f=0) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1014 GLN :FLIP amide:sc= -1.9! C(o=-3.6!,f=-1.9!) USER MOD Single : A1015 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0 USER MOD Single : A1026 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A1033 LYS NZ :NH3+ -166:sc= -0.0528 (180deg=-0.25) USER MOD Single : A1041 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A1045 LYS NZ :NH3+ -167:sc= 1.11 (180deg=0.987) USER MOD Single : A1046 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1048 SER OG : rot 74:sc= 0.36 USER MOD Single : A1049 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -7.856 -19.345 -3.675 1.00 0.00 N ATOM 2 CA ARG A 920 -7.875 -18.573 -2.451 1.00 0.00 C ATOM 3 C ARG A 920 -8.979 -17.533 -2.519 1.00 0.00 C ATOM 4 O ARG A 920 -9.260 -16.975 -3.580 1.00 0.00 O ATOM 5 CB ARG A 920 -6.526 -17.889 -2.180 1.00 0.00 C ATOM 6 CG ARG A 920 -6.289 -16.606 -2.968 1.00 0.00 C ATOM 7 CD ARG A 920 -6.151 -16.869 -4.453 1.00 0.00 C ATOM 8 NE ARG A 920 -6.020 -15.628 -5.216 1.00 0.00 N ATOM 9 CZ ARG A 920 -6.294 -15.517 -6.517 1.00 0.00 C ATOM 10 NH1 ARG A 920 -6.712 -16.571 -7.204 1.00 0.00 N ATOM 11 NH2 ARG A 920 -6.164 -14.348 -7.130 1.00 0.00 N ATOM 0 HA ARG A 920 -8.064 -19.261 -1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.457 -17.663 -1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -5.726 -18.592 -2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -7.117 -15.918 -2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -5.387 -16.117 -2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -5.279 -17.498 -4.631 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -7.021 -17.422 -4.806 1.00 0.00 H new ATOM 0 HE ARG A 920 -5.699 -14.795 -4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -6.825 -17.471 -6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -6.920 -16.482 -8.198 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -5.853 -13.529 -6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -6.375 -14.268 -8.125 1.00 0.00 H new ATOM 25 N SER A 921 -9.592 -17.273 -1.389 1.00 0.00 N ATOM 26 CA SER A 921 -10.640 -16.276 -1.296 1.00 0.00 C ATOM 27 C SER A 921 -10.055 -14.890 -1.037 1.00 0.00 C ATOM 28 O SER A 921 -10.727 -14.012 -0.501 1.00 0.00 O ATOM 29 CB SER A 921 -11.605 -16.676 -0.190 1.00 0.00 C ATOM 30 OG SER A 921 -12.399 -17.782 -0.589 1.00 0.00 O ATOM 0 H SER A 921 -9.382 -17.743 -0.509 1.00 0.00 H new ATOM 0 HA SER A 921 -11.177 -16.227 -2.243 1.00 0.00 H new ATOM 0 HB2 SER A 921 -11.047 -16.930 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 921 -12.248 -15.832 0.060 1.00 0.00 H new ATOM 0 HG SER A 921 -13.011 -18.024 0.137 1.00 0.00 H new ATOM 36 N ASN A 922 -8.806 -14.706 -1.474 1.00 0.00 N ATOM 37 CA ASN A 922 -8.074 -13.445 -1.318 1.00 0.00 C ATOM 38 C ASN A 922 -8.224 -12.902 0.071 1.00 0.00 C ATOM 39 O ASN A 922 -8.706 -11.783 0.253 1.00 0.00 O ATOM 40 CB ASN A 922 -8.535 -12.377 -2.297 1.00 0.00 C ATOM 41 CG ASN A 922 -9.352 -12.918 -3.454 1.00 0.00 C ATOM 42 OD1 ASN A 922 -10.587 -12.891 -3.444 1.00 0.00 O ATOM 43 ND2 ASN A 922 -8.660 -13.437 -4.447 1.00 0.00 N ATOM 0 H ASN A 922 -8.270 -15.432 -1.949 1.00 0.00 H new ATOM 0 HA ASN A 922 -7.030 -13.682 -1.522 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -9.129 -11.637 -1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -7.661 -11.859 -2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -9.143 -13.838 -5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -7.641 -13.438 -4.413 1.00 0.00 H new ATOM 50 N ASP A 923 -7.731 -13.694 1.011 1.00 0.00 N ATOM 51 CA ASP A 923 -7.866 -13.477 2.447 1.00 0.00 C ATOM 52 C ASP A 923 -7.569 -12.035 2.856 1.00 0.00 C ATOM 53 O ASP A 923 -7.322 -11.168 2.031 1.00 0.00 O ATOM 54 CB ASP A 923 -6.889 -14.414 3.165 1.00 0.00 C ATOM 55 CG ASP A 923 -7.362 -14.880 4.528 1.00 0.00 C ATOM 56 OD1 ASP A 923 -8.114 -14.147 5.192 1.00 0.00 O ATOM 57 OD2 ASP A 923 -6.973 -15.994 4.934 1.00 0.00 O ATOM 0 H ASP A 923 -7.205 -14.539 0.788 1.00 0.00 H new ATOM 0 HA ASP A 923 -8.900 -13.682 2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -6.712 -15.287 2.536 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -5.932 -13.904 3.280 1.00 0.00 H new ATOM 62 N LYS A 924 -7.600 -11.807 4.146 1.00 0.00 N ATOM 63 CA LYS A 924 -7.295 -10.506 4.765 1.00 0.00 C ATOM 64 C LYS A 924 -6.159 -9.769 4.026 1.00 0.00 C ATOM 65 O LYS A 924 -6.070 -8.543 4.061 1.00 0.00 O ATOM 66 CB LYS A 924 -6.922 -10.742 6.237 1.00 0.00 C ATOM 67 CG LYS A 924 -7.016 -9.516 7.133 1.00 0.00 C ATOM 68 CD LYS A 924 -5.775 -8.644 7.061 1.00 0.00 C ATOM 69 CE LYS A 924 -5.903 -7.436 7.968 1.00 0.00 C ATOM 70 NZ LYS A 924 -5.982 -7.817 9.404 1.00 0.00 N ATOM 0 H LYS A 924 -7.842 -12.528 4.826 1.00 0.00 H new ATOM 0 HA LYS A 924 -8.176 -9.868 4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -7.573 -11.518 6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.903 -11.127 6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -7.887 -8.927 6.846 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -7.172 -9.835 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -4.900 -9.227 7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -5.616 -8.316 6.034 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -5.048 -6.777 7.815 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -6.794 -6.871 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -5.864 -6.969 9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -6.908 -8.248 9.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -5.229 -8.500 9.624 1.00 0.00 H new ATOM 84 N VAL A 925 -5.312 -10.533 3.344 1.00 0.00 N ATOM 85 CA VAL A 925 -4.260 -9.984 2.518 1.00 0.00 C ATOM 86 C VAL A 925 -4.808 -9.069 1.420 1.00 0.00 C ATOM 87 O VAL A 925 -4.405 -7.912 1.342 1.00 0.00 O ATOM 88 CB VAL A 925 -3.418 -11.110 1.878 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.490 -11.736 2.910 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.314 -12.180 1.270 1.00 0.00 C ATOM 0 H VAL A 925 -5.342 -11.553 3.353 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.627 -9.386 3.174 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.817 -10.668 1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -1.905 -12.527 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.819 -10.974 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -3.081 -12.156 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.698 -12.961 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -4.943 -12.612 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -4.944 -11.733 0.500 1.00 0.00 H new ATOM 100 N TYR A 926 -5.777 -9.539 0.622 1.00 0.00 N ATOM 101 CA TYR A 926 -6.286 -8.737 -0.488 1.00 0.00 C ATOM 102 C TYR A 926 -7.201 -7.655 0.086 1.00 0.00 C ATOM 103 O TYR A 926 -7.398 -6.586 -0.497 1.00 0.00 O ATOM 104 CB TYR A 926 -7.050 -9.645 -1.447 1.00 0.00 C ATOM 105 CG TYR A 926 -7.848 -8.932 -2.516 1.00 0.00 C ATOM 106 CD1 TYR A 926 -7.246 -8.479 -3.682 1.00 0.00 C ATOM 107 CD2 TYR A 926 -9.216 -8.738 -2.364 1.00 0.00 C ATOM 108 CE1 TYR A 926 -7.986 -7.849 -4.667 1.00 0.00 C ATOM 109 CE2 TYR A 926 -9.960 -8.107 -3.339 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.342 -7.667 -4.490 1.00 0.00 C ATOM 111 OH TYR A 926 -10.082 -7.045 -5.472 1.00 0.00 O ATOM 0 H TYR A 926 -6.215 -10.455 0.725 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.472 -8.264 -1.037 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.339 -10.313 -1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.729 -10.270 -0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -6.185 -8.620 -3.822 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -9.705 -9.088 -1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -7.505 -7.502 -5.569 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -11.021 -7.958 -3.201 1.00 0.00 H new ATOM 0 HH TYR A 926 -11.020 -6.996 -5.193 1.00 0.00 H new ATOM 121 N GLU A 927 -7.735 -7.961 1.262 1.00 0.00 N ATOM 122 CA GLU A 927 -8.657 -7.090 1.974 1.00 0.00 C ATOM 123 C GLU A 927 -7.974 -5.844 2.529 1.00 0.00 C ATOM 124 O GLU A 927 -8.391 -4.722 2.258 1.00 0.00 O ATOM 125 CB GLU A 927 -9.297 -7.870 3.120 1.00 0.00 C ATOM 126 CG GLU A 927 -10.306 -8.904 2.664 1.00 0.00 C ATOM 127 CD GLU A 927 -11.204 -9.359 3.790 1.00 0.00 C ATOM 128 OE1 GLU A 927 -10.696 -9.958 4.758 1.00 0.00 O ATOM 129 OE2 GLU A 927 -12.424 -9.099 3.717 1.00 0.00 O ATOM 0 H GLU A 927 -7.536 -8.833 1.753 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.412 -6.756 1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -8.513 -8.367 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -9.788 -7.169 3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.915 -8.486 1.862 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -9.780 -9.765 2.250 1.00 0.00 H new ATOM 136 N ASN A 928 -6.941 -6.034 3.324 1.00 0.00 N ATOM 137 CA ASN A 928 -6.277 -4.906 3.956 1.00 0.00 C ATOM 138 C ASN A 928 -5.444 -4.139 2.937 1.00 0.00 C ATOM 139 O ASN A 928 -5.287 -2.929 3.046 1.00 0.00 O ATOM 140 CB ASN A 928 -5.410 -5.374 5.119 1.00 0.00 C ATOM 141 CG ASN A 928 -5.120 -4.284 6.143 1.00 0.00 C ATOM 142 OD1 ASN A 928 -4.995 -4.569 7.331 1.00 0.00 O ATOM 143 ND2 ASN A 928 -5.005 -3.037 5.705 1.00 0.00 N ATOM 0 H ASN A 928 -6.544 -6.947 3.548 1.00 0.00 H new ATOM 0 HA ASN A 928 -7.040 -4.235 4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.906 -6.207 5.618 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -4.466 -5.753 4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -4.807 -2.282 6.362 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -5.114 -2.833 4.712 1.00 0.00 H new ATOM 150 N VAL A 929 -4.889 -4.838 1.958 1.00 0.00 N ATOM 151 CA VAL A 929 -4.140 -4.167 0.906 1.00 0.00 C ATOM 152 C VAL A 929 -5.037 -3.221 0.101 1.00 0.00 C ATOM 153 O VAL A 929 -4.603 -2.143 -0.306 1.00 0.00 O ATOM 154 CB VAL A 929 -3.429 -5.162 -0.028 1.00 0.00 C ATOM 155 CG1 VAL A 929 -4.402 -5.822 -0.985 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.306 -4.465 -0.774 1.00 0.00 C ATOM 0 H VAL A 929 -4.941 -5.853 1.870 1.00 0.00 H new ATOM 0 HA VAL A 929 -3.370 -3.575 1.400 1.00 0.00 H new ATOM 0 HB VAL A 929 -2.998 -5.956 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -3.864 -6.518 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -5.159 -6.364 -0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -4.884 -5.060 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.809 -5.178 -1.432 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.716 -3.648 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -1.585 -4.068 -0.059 1.00 0.00 H new ATOM 166 N THR A 930 -6.294 -3.601 -0.110 1.00 0.00 N ATOM 167 CA THR A 930 -7.242 -2.677 -0.702 1.00 0.00 C ATOM 168 C THR A 930 -7.600 -1.612 0.323 1.00 0.00 C ATOM 169 O THR A 930 -7.830 -0.457 -0.022 1.00 0.00 O ATOM 170 CB THR A 930 -8.521 -3.371 -1.223 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.975 -4.355 -0.289 1.00 0.00 O ATOM 172 CG2 THR A 930 -8.283 -4.023 -2.574 1.00 0.00 C ATOM 0 H THR A 930 -6.669 -4.522 0.116 1.00 0.00 H new ATOM 0 HA THR A 930 -6.764 -2.226 -1.572 1.00 0.00 H new ATOM 0 HB THR A 930 -9.287 -2.604 -1.338 1.00 0.00 H new ATOM 0 HG1 THR A 930 -8.603 -4.162 0.597 1.00 0.00 H new ATOM 0 HG21 THR A 930 -9.201 -4.503 -2.913 1.00 0.00 H new ATOM 0 HG22 THR A 930 -7.982 -3.264 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 930 -7.495 -4.771 -2.483 1.00 0.00 H new ATOM 180 N GLY A 931 -7.608 -2.021 1.592 1.00 0.00 N ATOM 181 CA GLY A 931 -7.777 -1.093 2.695 1.00 0.00 C ATOM 182 C GLY A 931 -6.701 -0.021 2.718 1.00 0.00 C ATOM 183 O GLY A 931 -6.950 1.101 3.150 1.00 0.00 O ATOM 0 H GLY A 931 -7.498 -2.995 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.756 -0.620 2.622 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.758 -1.643 3.636 1.00 0.00 H new ATOM 187 N LEU A 932 -5.503 -0.370 2.255 1.00 0.00 N ATOM 188 CA LEU A 932 -4.431 0.596 2.091 1.00 0.00 C ATOM 189 C LEU A 932 -4.861 1.649 1.077 1.00 0.00 C ATOM 190 O LEU A 932 -4.751 2.843 1.334 1.00 0.00 O ATOM 191 CB LEU A 932 -3.140 -0.138 1.681 1.00 0.00 C ATOM 192 CG LEU A 932 -2.118 0.632 0.825 1.00 0.00 C ATOM 193 CD1 LEU A 932 -1.649 1.909 1.495 1.00 0.00 C ATOM 194 CD2 LEU A 932 -0.923 -0.255 0.535 1.00 0.00 C ATOM 0 H LEU A 932 -5.254 -1.322 1.987 1.00 0.00 H new ATOM 0 HA LEU A 932 -4.222 1.112 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -2.637 -0.464 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -3.425 -1.037 1.135 1.00 0.00 H new ATOM 0 HG LEU A 932 -2.617 0.912 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -0.930 2.415 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -2.503 2.563 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -1.177 1.668 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -0.202 0.293 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -0.456 -0.554 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -1.251 -1.142 -0.006 1.00 0.00 H new ATOM 206 N VAL A 933 -5.408 1.202 -0.045 1.00 0.00 N ATOM 207 CA VAL A 933 -5.962 2.114 -1.038 1.00 0.00 C ATOM 208 C VAL A 933 -7.139 2.900 -0.446 1.00 0.00 C ATOM 209 O VAL A 933 -7.309 4.084 -0.722 1.00 0.00 O ATOM 210 CB VAL A 933 -6.427 1.361 -2.304 1.00 0.00 C ATOM 211 CG1 VAL A 933 -6.973 2.327 -3.346 1.00 0.00 C ATOM 212 CG2 VAL A 933 -5.289 0.539 -2.887 1.00 0.00 C ATOM 0 H VAL A 933 -5.480 0.215 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 933 -5.169 2.806 -1.323 1.00 0.00 H new ATOM 0 HB VAL A 933 -7.231 0.684 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -7.293 1.770 -4.226 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -7.823 2.868 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -6.195 3.036 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -5.637 0.016 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -4.463 1.198 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -4.950 -0.188 -2.149 1.00 0.00 H new ATOM 222 N LYS A 934 -7.942 2.237 0.380 1.00 0.00 N ATOM 223 CA LYS A 934 -9.061 2.892 1.063 1.00 0.00 C ATOM 224 C LYS A 934 -8.534 3.985 1.985 1.00 0.00 C ATOM 225 O LYS A 934 -9.175 5.014 2.190 1.00 0.00 O ATOM 226 CB LYS A 934 -9.884 1.893 1.895 1.00 0.00 C ATOM 227 CG LYS A 934 -10.323 0.620 1.170 1.00 0.00 C ATOM 228 CD LYS A 934 -11.248 0.881 -0.011 1.00 0.00 C ATOM 229 CE LYS A 934 -10.474 1.234 -1.270 1.00 0.00 C ATOM 230 NZ LYS A 934 -11.357 1.297 -2.460 1.00 0.00 N ATOM 0 H LYS A 934 -7.842 1.245 0.595 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.708 3.319 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -9.297 1.607 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.774 2.403 2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.439 0.089 0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -10.828 -0.036 1.879 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -11.859 -0.003 -0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -11.931 1.694 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.978 2.195 -1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.693 0.493 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -10.792 1.540 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -11.811 0.373 -2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -12.088 2.022 -2.312 1.00 0.00 H new ATOM 244 N ALA A 935 -7.346 3.758 2.522 1.00 0.00 N ATOM 245 CA ALA A 935 -6.727 4.697 3.434 1.00 0.00 C ATOM 246 C ALA A 935 -6.048 5.818 2.666 1.00 0.00 C ATOM 247 O ALA A 935 -5.844 6.910 3.188 1.00 0.00 O ATOM 248 CB ALA A 935 -5.750 3.994 4.353 1.00 0.00 C ATOM 0 H ALA A 935 -6.790 2.923 2.338 1.00 0.00 H new ATOM 0 HA ALA A 935 -7.507 5.137 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.298 4.721 5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -6.277 3.237 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.970 3.517 3.759 1.00 0.00 H new ATOM 254 N VAL A 936 -5.671 5.561 1.423 1.00 0.00 N ATOM 255 CA VAL A 936 -5.180 6.640 0.598 1.00 0.00 C ATOM 256 C VAL A 936 -6.364 7.440 0.052 1.00 0.00 C ATOM 257 O VAL A 936 -6.202 8.523 -0.502 1.00 0.00 O ATOM 258 CB VAL A 936 -4.247 6.175 -0.545 1.00 0.00 C ATOM 259 CG1 VAL A 936 -3.333 5.052 -0.085 1.00 0.00 C ATOM 260 CG2 VAL A 936 -5.016 5.777 -1.798 1.00 0.00 C ATOM 0 H VAL A 936 -5.695 4.643 0.979 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.562 7.275 1.233 1.00 0.00 H new ATOM 0 HB VAL A 936 -3.628 7.031 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -2.689 4.746 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -2.719 5.400 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -3.935 4.203 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -4.315 5.459 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -5.694 4.957 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -5.590 6.630 -2.159 1.00 0.00 H new ATOM 270 N ILE A 937 -7.565 6.897 0.229 1.00 0.00 N ATOM 271 CA ILE A 937 -8.783 7.657 -0.004 1.00 0.00 C ATOM 272 C ILE A 937 -8.967 8.652 1.142 1.00 0.00 C ATOM 273 O ILE A 937 -9.536 9.735 0.973 1.00 0.00 O ATOM 274 CB ILE A 937 -10.026 6.743 -0.127 1.00 0.00 C ATOM 275 CG1 ILE A 937 -9.881 5.813 -1.337 1.00 0.00 C ATOM 276 CG2 ILE A 937 -11.303 7.570 -0.242 1.00 0.00 C ATOM 277 CD1 ILE A 937 -11.054 4.876 -1.532 1.00 0.00 C ATOM 0 H ILE A 937 -7.718 5.935 0.532 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.685 8.185 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 937 -10.096 6.138 0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -9.758 6.418 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -8.972 5.223 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -12.161 6.904 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -11.414 8.193 0.645 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -11.247 8.205 -1.126 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -10.878 4.250 -2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -11.166 4.244 -0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -11.964 5.458 -1.679 1.00 0.00 H new ATOM 289 N GLU A 938 -8.482 8.262 2.318 1.00 0.00 N ATOM 290 CA GLU A 938 -8.393 9.178 3.447 1.00 0.00 C ATOM 291 C GLU A 938 -7.605 10.409 3.054 1.00 0.00 C ATOM 292 O GLU A 938 -8.051 11.524 3.282 1.00 0.00 O ATOM 293 CB GLU A 938 -7.698 8.527 4.641 1.00 0.00 C ATOM 294 CG GLU A 938 -8.371 7.257 5.131 1.00 0.00 C ATOM 295 CD GLU A 938 -9.745 7.503 5.708 1.00 0.00 C ATOM 296 OE1 GLU A 938 -10.712 7.612 4.929 1.00 0.00 O ATOM 297 OE2 GLU A 938 -9.868 7.571 6.950 1.00 0.00 O ATOM 0 H GLU A 938 -8.146 7.319 2.512 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.411 9.447 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.668 8.298 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.658 9.244 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.451 6.552 4.303 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -7.743 6.789 5.889 1.00 0.00 H new ATOM 304 N MET A 939 -6.453 10.198 2.417 1.00 0.00 N ATOM 305 CA MET A 939 -5.570 11.313 2.075 1.00 0.00 C ATOM 306 C MET A 939 -6.267 12.276 1.117 1.00 0.00 C ATOM 307 O MET A 939 -6.175 13.489 1.281 1.00 0.00 O ATOM 308 CB MET A 939 -4.228 10.836 1.485 1.00 0.00 C ATOM 309 CG MET A 939 -4.230 10.602 -0.018 1.00 0.00 C ATOM 310 SD MET A 939 -2.603 10.180 -0.668 1.00 0.00 S ATOM 311 CE MET A 939 -3.001 9.867 -2.386 1.00 0.00 C ATOM 0 H MET A 939 -6.113 9.280 2.131 1.00 0.00 H new ATOM 0 HA MET A 939 -5.344 11.839 3.002 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.462 11.575 1.721 1.00 0.00 H new ATOM 0 HB3 MET A 939 -3.940 9.909 1.981 1.00 0.00 H new ATOM 0 HG2 MET A 939 -4.929 9.799 -0.254 1.00 0.00 H new ATOM 0 HG3 MET A 939 -4.594 11.499 -0.519 1.00 0.00 H new ATOM 0 HE1 MET A 939 -2.434 9.006 -2.740 1.00 0.00 H new ATOM 0 HE2 MET A 939 -4.068 9.663 -2.481 1.00 0.00 H new ATOM 0 HE3 MET A 939 -2.744 10.741 -2.984 1.00 0.00 H new ATOM 321 N SER A 940 -7.005 11.738 0.150 1.00 0.00 N ATOM 322 CA SER A 940 -7.681 12.569 -0.829 1.00 0.00 C ATOM 323 C SER A 940 -8.819 13.360 -0.192 1.00 0.00 C ATOM 324 O SER A 940 -9.103 14.485 -0.599 1.00 0.00 O ATOM 325 CB SER A 940 -8.183 11.713 -1.996 1.00 0.00 C ATOM 326 OG SER A 940 -8.721 10.484 -1.542 1.00 0.00 O ATOM 0 H SER A 940 -7.147 10.735 0.027 1.00 0.00 H new ATOM 0 HA SER A 940 -6.964 13.292 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 940 -8.944 12.262 -2.551 1.00 0.00 H new ATOM 0 HB3 SER A 940 -7.362 11.520 -2.687 1.00 0.00 H new ATOM 0 HG SER A 940 -9.025 10.582 -0.616 1.00 0.00 H new ATOM 332 N SER A 941 -9.445 12.789 0.829 1.00 0.00 N ATOM 333 CA SER A 941 -10.547 13.453 1.497 1.00 0.00 C ATOM 334 C SER A 941 -9.970 14.471 2.460 1.00 0.00 C ATOM 335 O SER A 941 -10.418 15.613 2.546 1.00 0.00 O ATOM 336 CB SER A 941 -11.412 12.427 2.237 1.00 0.00 C ATOM 337 OG SER A 941 -11.791 11.371 1.366 1.00 0.00 O ATOM 0 H SER A 941 -9.207 11.872 1.208 1.00 0.00 H new ATOM 0 HA SER A 941 -11.184 13.957 0.770 1.00 0.00 H new ATOM 0 HB2 SER A 941 -10.861 12.024 3.087 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.302 12.914 2.636 1.00 0.00 H new ATOM 0 HG SER A 941 -11.022 10.784 1.209 1.00 0.00 H new ATOM 343 N LYS A 942 -8.931 14.017 3.139 1.00 0.00 N ATOM 344 CA LYS A 942 -8.206 14.783 4.130 1.00 0.00 C ATOM 345 C LYS A 942 -7.610 16.055 3.528 1.00 0.00 C ATOM 346 O LYS A 942 -7.628 17.105 4.158 1.00 0.00 O ATOM 347 CB LYS A 942 -7.115 13.872 4.712 1.00 0.00 C ATOM 348 CG LYS A 942 -6.185 14.514 5.717 1.00 0.00 C ATOM 349 CD LYS A 942 -6.936 15.131 6.861 1.00 0.00 C ATOM 350 CE LYS A 942 -7.681 14.091 7.688 1.00 0.00 C ATOM 351 NZ LYS A 942 -6.748 13.194 8.418 1.00 0.00 N ATOM 0 H LYS A 942 -8.560 13.076 3.010 1.00 0.00 H new ATOM 0 HA LYS A 942 -8.882 15.110 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -7.597 13.018 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -6.516 13.483 3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -5.492 13.765 6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -5.587 15.278 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -6.239 15.671 7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -7.646 15.862 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -8.334 14.594 8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -8.320 13.497 7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -7.285 12.602 9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -6.249 12.585 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -6.056 13.766 8.943 1.00 0.00 H new ATOM 365 N ILE A 943 -7.100 15.961 2.306 1.00 0.00 N ATOM 366 CA ILE A 943 -6.496 17.114 1.645 1.00 0.00 C ATOM 367 C ILE A 943 -7.569 18.107 1.185 1.00 0.00 C ATOM 368 O ILE A 943 -7.339 19.317 1.194 1.00 0.00 O ATOM 369 CB ILE A 943 -5.593 16.665 0.457 1.00 0.00 C ATOM 370 CG1 ILE A 943 -4.693 17.807 -0.050 1.00 0.00 C ATOM 371 CG2 ILE A 943 -6.425 16.101 -0.685 1.00 0.00 C ATOM 372 CD1 ILE A 943 -5.340 18.736 -1.061 1.00 0.00 C ATOM 0 H ILE A 943 -7.092 15.103 1.754 1.00 0.00 H new ATOM 0 HA ILE A 943 -5.861 17.625 2.369 1.00 0.00 H new ATOM 0 HB ILE A 943 -4.944 15.876 0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -4.365 18.398 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -3.799 17.373 -0.498 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -5.767 15.797 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -6.989 15.238 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -7.116 16.864 -1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -4.627 19.506 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -5.642 18.165 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -6.217 19.206 -0.615 1.00 0.00 H new ATOM 384 N GLN A 944 -8.749 17.593 0.823 1.00 0.00 N ATOM 385 CA GLN A 944 -9.836 18.430 0.299 1.00 0.00 C ATOM 386 C GLN A 944 -10.132 19.659 1.173 1.00 0.00 C ATOM 387 O GLN A 944 -9.983 20.790 0.702 1.00 0.00 O ATOM 388 CB GLN A 944 -11.118 17.613 0.100 1.00 0.00 C ATOM 389 CG GLN A 944 -11.047 16.630 -1.051 1.00 0.00 C ATOM 390 CD GLN A 944 -12.298 15.787 -1.178 1.00 0.00 C ATOM 391 OE1 GLN A 944 -13.401 16.228 -0.844 1.00 0.00 O ATOM 392 NE2 GLN A 944 -12.137 14.563 -1.653 1.00 0.00 N ATOM 0 H GLN A 944 -8.977 16.601 0.883 1.00 0.00 H new ATOM 0 HA GLN A 944 -9.486 18.798 -0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -11.336 17.067 1.018 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -11.950 18.296 -0.069 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -10.886 17.176 -1.980 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -10.186 15.976 -0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -11.208 14.237 -1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -12.942 13.945 -1.755 1.00 0.00 H new ATOM 401 N PRO A 945 -10.547 19.493 2.447 1.00 0.00 N ATOM 402 CA PRO A 945 -10.983 20.610 3.269 1.00 0.00 C ATOM 403 C PRO A 945 -9.905 21.116 4.228 1.00 0.00 C ATOM 404 O PRO A 945 -10.201 21.847 5.178 1.00 0.00 O ATOM 405 CB PRO A 945 -12.131 19.972 4.047 1.00 0.00 C ATOM 406 CG PRO A 945 -11.727 18.538 4.223 1.00 0.00 C ATOM 407 CD PRO A 945 -10.638 18.251 3.210 1.00 0.00 C ATOM 0 HA PRO A 945 -11.243 21.490 2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -12.277 20.462 5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -13.071 20.054 3.502 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -11.366 18.362 5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -12.580 17.877 4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -9.693 18.008 3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -10.896 17.406 2.572 1.00 0.00 H new ATOM 415 N ALA A 946 -8.661 20.735 3.982 1.00 0.00 N ATOM 416 CA ALA A 946 -7.588 21.042 4.907 1.00 0.00 C ATOM 417 C ALA A 946 -6.532 21.962 4.300 1.00 0.00 C ATOM 418 O ALA A 946 -6.325 21.986 3.083 1.00 0.00 O ATOM 419 CB ALA A 946 -6.943 19.755 5.377 1.00 0.00 C ATOM 0 H ALA A 946 -8.373 20.215 3.153 1.00 0.00 H new ATOM 0 HA ALA A 946 -8.027 21.575 5.750 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -6.136 19.985 6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -7.688 19.136 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -6.540 19.216 4.520 1.00 0.00 H new ATOM 425 N PRO A 947 -5.867 22.748 5.161 1.00 0.00 N ATOM 426 CA PRO A 947 -4.696 23.543 4.797 1.00 0.00 C ATOM 427 C PRO A 947 -3.434 22.670 4.791 1.00 0.00 C ATOM 428 O PRO A 947 -3.520 21.475 5.077 1.00 0.00 O ATOM 429 CB PRO A 947 -4.627 24.610 5.912 1.00 0.00 C ATOM 430 CG PRO A 947 -5.801 24.360 6.804 1.00 0.00 C ATOM 431 CD PRO A 947 -6.214 22.940 6.569 1.00 0.00 C ATOM 0 HA PRO A 947 -4.764 23.978 3.800 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -3.693 24.532 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -4.665 25.615 5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -5.536 24.520 7.849 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -6.617 25.045 6.574 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -5.679 22.247 7.219 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -7.278 22.790 6.751 1.00 0.00 H new ATOM 439 N PRO A 948 -2.245 23.237 4.483 1.00 0.00 N ATOM 440 CA PRO A 948 -0.983 22.476 4.446 1.00 0.00 C ATOM 441 C PRO A 948 -0.713 21.704 5.733 1.00 0.00 C ATOM 442 O PRO A 948 0.000 20.686 5.727 1.00 0.00 O ATOM 443 CB PRO A 948 0.095 23.548 4.234 1.00 0.00 C ATOM 444 CG PRO A 948 -0.585 24.851 4.495 1.00 0.00 C ATOM 445 CD PRO A 948 -2.023 24.646 4.125 1.00 0.00 C ATOM 0 HA PRO A 948 -1.008 21.718 3.663 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.935 23.400 4.913 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.494 23.509 3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.488 25.139 5.542 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -0.139 25.650 3.902 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.684 25.314 4.678 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -2.199 24.828 3.065 1.00 0.00 H new ATOM 453 N GLU A 949 -1.291 22.180 6.830 1.00 0.00 N ATOM 454 CA GLU A 949 -1.149 21.518 8.112 1.00 0.00 C ATOM 455 C GLU A 949 -1.629 20.080 8.030 1.00 0.00 C ATOM 456 O GLU A 949 -0.958 19.185 8.519 1.00 0.00 O ATOM 457 CB GLU A 949 -1.916 22.259 9.199 1.00 0.00 C ATOM 458 CG GLU A 949 -1.401 23.662 9.452 1.00 0.00 C ATOM 459 CD GLU A 949 -1.933 24.250 10.738 1.00 0.00 C ATOM 460 OE1 GLU A 949 -3.122 24.626 10.782 1.00 0.00 O ATOM 461 OE2 GLU A 949 -1.162 24.342 11.716 1.00 0.00 O ATOM 0 H GLU A 949 -1.863 23.024 6.852 1.00 0.00 H new ATOM 0 HA GLU A 949 -0.090 21.523 8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -2.968 22.312 8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -1.861 21.688 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -0.312 23.645 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -1.683 24.305 8.618 1.00 0.00 H new ATOM 468 N GLU A 950 -2.774 19.854 7.384 1.00 0.00 N ATOM 469 CA GLU A 950 -3.266 18.494 7.211 1.00 0.00 C ATOM 470 C GLU A 950 -2.829 17.908 5.883 1.00 0.00 C ATOM 471 O GLU A 950 -3.178 16.771 5.563 1.00 0.00 O ATOM 472 CB GLU A 950 -4.779 18.379 7.323 1.00 0.00 C ATOM 473 CG GLU A 950 -5.320 18.524 8.735 1.00 0.00 C ATOM 474 CD GLU A 950 -5.494 19.966 9.159 1.00 0.00 C ATOM 475 OE1 GLU A 950 -6.564 20.539 8.876 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.578 20.522 9.799 1.00 0.00 O ATOM 0 H GLU A 950 -3.365 20.581 6.981 1.00 0.00 H new ATOM 0 HA GLU A 950 -2.824 17.928 8.031 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -5.236 19.142 6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -5.087 17.411 6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -6.280 18.013 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -4.643 18.026 9.430 1.00 0.00 H new ATOM 483 N TYR A 951 -2.075 18.672 5.110 1.00 0.00 N ATOM 484 CA TYR A 951 -1.443 18.120 3.927 1.00 0.00 C ATOM 485 C TYR A 951 -0.555 16.957 4.342 1.00 0.00 C ATOM 486 O TYR A 951 -0.598 15.885 3.747 1.00 0.00 O ATOM 487 CB TYR A 951 -0.633 19.184 3.176 1.00 0.00 C ATOM 488 CG TYR A 951 -1.397 19.873 2.060 1.00 0.00 C ATOM 489 CD1 TYR A 951 -2.695 20.335 2.243 1.00 0.00 C ATOM 490 CD2 TYR A 951 -0.809 20.059 0.815 1.00 0.00 C ATOM 491 CE1 TYR A 951 -3.386 20.955 1.215 1.00 0.00 C ATOM 492 CE2 TYR A 951 -1.490 20.673 -0.216 1.00 0.00 C ATOM 493 CZ TYR A 951 -2.774 21.125 -0.012 1.00 0.00 C ATOM 494 OH TYR A 951 -3.458 21.731 -1.046 1.00 0.00 O ATOM 0 H TYR A 951 -1.888 19.661 5.278 1.00 0.00 H new ATOM 0 HA TYR A 951 -2.215 17.766 3.243 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -0.294 19.937 3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.259 18.717 2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -3.173 20.208 3.203 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.202 19.716 0.651 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -4.396 21.303 1.372 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -1.018 20.798 -1.179 1.00 0.00 H new ATOM 0 HH TYR A 951 -2.904 22.440 -1.434 1.00 0.00 H new ATOM 504 N VAL A 952 0.228 17.144 5.394 1.00 0.00 N ATOM 505 CA VAL A 952 1.040 16.037 5.892 1.00 0.00 C ATOM 506 C VAL A 952 0.185 14.954 6.608 1.00 0.00 C ATOM 507 O VAL A 952 0.363 13.777 6.330 1.00 0.00 O ATOM 508 CB VAL A 952 2.270 16.497 6.736 1.00 0.00 C ATOM 509 CG1 VAL A 952 1.953 17.684 7.631 1.00 0.00 C ATOM 510 CG2 VAL A 952 2.836 15.345 7.558 1.00 0.00 C ATOM 0 H VAL A 952 0.320 18.021 5.907 1.00 0.00 H new ATOM 0 HA VAL A 952 1.466 15.561 5.009 1.00 0.00 H new ATOM 0 HB VAL A 952 3.028 16.824 6.024 1.00 0.00 H new ATOM 0 HG11 VAL A 952 2.843 17.962 8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.634 18.527 7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 952 1.154 17.415 8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.692 15.696 8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 952 2.069 14.971 8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 952 3.153 14.543 6.891 1.00 0.00 H new ATOM 520 N PRO A 953 -0.754 15.293 7.528 1.00 0.00 N ATOM 521 CA PRO A 953 -1.704 14.306 8.080 1.00 0.00 C ATOM 522 C PRO A 953 -2.463 13.484 7.039 1.00 0.00 C ATOM 523 O PRO A 953 -2.834 12.346 7.318 1.00 0.00 O ATOM 524 CB PRO A 953 -2.692 15.161 8.842 1.00 0.00 C ATOM 525 CG PRO A 953 -1.876 16.302 9.309 1.00 0.00 C ATOM 526 CD PRO A 953 -0.896 16.573 8.200 1.00 0.00 C ATOM 0 HA PRO A 953 -1.164 13.564 8.668 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.513 15.489 8.205 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -3.134 14.616 9.676 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -2.498 17.175 9.506 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -1.360 16.062 10.239 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.266 17.341 7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 953 0.059 16.926 8.590 1.00 0.00 H new ATOM 534 N MET A 954 -2.736 14.035 5.860 1.00 0.00 N ATOM 535 CA MET A 954 -3.406 13.233 4.845 1.00 0.00 C ATOM 536 C MET A 954 -2.488 12.093 4.443 1.00 0.00 C ATOM 537 O MET A 954 -2.899 10.933 4.348 1.00 0.00 O ATOM 538 CB MET A 954 -3.834 14.049 3.606 1.00 0.00 C ATOM 539 CG MET A 954 -2.715 14.386 2.643 1.00 0.00 C ATOM 540 SD MET A 954 -3.264 14.494 0.931 1.00 0.00 S ATOM 541 CE MET A 954 -1.697 14.394 0.075 1.00 0.00 C ATOM 0 H MET A 954 -2.514 14.994 5.591 1.00 0.00 H new ATOM 0 HA MET A 954 -4.329 12.849 5.279 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.600 13.490 3.068 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.295 14.978 3.943 1.00 0.00 H new ATOM 0 HG2 MET A 954 -2.266 15.336 2.935 1.00 0.00 H new ATOM 0 HG3 MET A 954 -1.936 13.628 2.721 1.00 0.00 H new ATOM 0 HE1 MET A 954 -1.676 15.125 -0.733 1.00 0.00 H new ATOM 0 HE2 MET A 954 -0.887 14.602 0.774 1.00 0.00 H new ATOM 0 HE3 MET A 954 -1.571 13.393 -0.338 1.00 0.00 H new ATOM 551 N VAL A 955 -1.235 12.436 4.215 1.00 0.00 N ATOM 552 CA VAL A 955 -0.218 11.441 3.953 1.00 0.00 C ATOM 553 C VAL A 955 -0.010 10.544 5.173 1.00 0.00 C ATOM 554 O VAL A 955 0.442 9.409 5.048 1.00 0.00 O ATOM 555 CB VAL A 955 1.115 12.078 3.486 1.00 0.00 C ATOM 556 CG1 VAL A 955 2.131 12.185 4.612 1.00 0.00 C ATOM 557 CG2 VAL A 955 1.677 11.299 2.315 1.00 0.00 C ATOM 0 H VAL A 955 -0.898 13.399 4.206 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.574 10.820 3.131 1.00 0.00 H new ATOM 0 HB VAL A 955 0.902 13.098 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 955 3.047 12.638 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 955 1.724 12.804 5.412 1.00 0.00 H new ATOM 0 HG13 VAL A 955 2.351 11.190 4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 955 2.614 11.753 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 955 1.859 10.268 2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.963 11.315 1.491 1.00 0.00 H new ATOM 567 N LYS A 956 -0.328 11.056 6.358 1.00 0.00 N ATOM 568 CA LYS A 956 -0.227 10.243 7.562 1.00 0.00 C ATOM 569 C LYS A 956 -1.183 9.057 7.435 1.00 0.00 C ATOM 570 O LYS A 956 -0.874 7.936 7.841 1.00 0.00 O ATOM 571 CB LYS A 956 -0.564 11.081 8.796 1.00 0.00 C ATOM 572 CG LYS A 956 -0.477 10.333 10.115 1.00 0.00 C ATOM 573 CD LYS A 956 -0.970 11.200 11.265 1.00 0.00 C ATOM 574 CE LYS A 956 -0.087 12.421 11.479 1.00 0.00 C ATOM 575 NZ LYS A 956 1.189 12.080 12.164 1.00 0.00 N ATOM 0 H LYS A 956 -0.652 12.012 6.508 1.00 0.00 H new ATOM 0 HA LYS A 956 0.793 9.875 7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.112 11.936 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.573 11.477 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.072 9.421 10.061 1.00 0.00 H new ATOM 0 HG3 LYS A 956 0.554 10.030 10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -1.992 11.522 11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -0.997 10.608 12.180 1.00 0.00 H new ATOM 0 HE2 LYS A 956 0.132 12.882 10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -0.628 13.159 12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 1.757 12.942 12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 0.983 11.664 13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 1.720 11.395 11.589 1.00 0.00 H new ATOM 589 N GLU A 957 -2.341 9.335 6.839 1.00 0.00 N ATOM 590 CA GLU A 957 -3.353 8.318 6.591 1.00 0.00 C ATOM 591 C GLU A 957 -2.817 7.181 5.708 1.00 0.00 C ATOM 592 O GLU A 957 -3.009 6.008 6.030 1.00 0.00 O ATOM 593 CB GLU A 957 -4.601 8.946 5.961 1.00 0.00 C ATOM 594 CG GLU A 957 -5.190 10.088 6.781 1.00 0.00 C ATOM 595 CD GLU A 957 -5.446 9.712 8.230 1.00 0.00 C ATOM 596 OE1 GLU A 957 -6.561 9.240 8.546 1.00 0.00 O ATOM 597 OE2 GLU A 957 -4.543 9.913 9.064 1.00 0.00 O ATOM 0 H GLU A 957 -2.600 10.267 6.517 1.00 0.00 H new ATOM 0 HA GLU A 957 -3.624 7.884 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.349 9.316 4.967 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.360 8.174 5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.510 10.939 6.748 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -6.126 10.410 6.325 1.00 0.00 H new ATOM 604 N VAL A 958 -2.132 7.509 4.604 1.00 0.00 N ATOM 605 CA VAL A 958 -1.528 6.462 3.770 1.00 0.00 C ATOM 606 C VAL A 958 -0.413 5.719 4.516 1.00 0.00 C ATOM 607 O VAL A 958 -0.156 4.547 4.246 1.00 0.00 O ATOM 608 CB VAL A 958 -0.979 6.991 2.418 1.00 0.00 C ATOM 609 CG1 VAL A 958 -2.032 7.803 1.698 1.00 0.00 C ATOM 610 CG2 VAL A 958 0.282 7.813 2.597 1.00 0.00 C ATOM 0 H VAL A 958 -1.985 8.463 4.274 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.341 5.771 3.547 1.00 0.00 H new ATOM 0 HB VAL A 958 -0.722 6.121 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.629 8.165 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -2.904 7.178 1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.323 8.652 2.317 1.00 0.00 H new ATOM 0 HG21 VAL A 958 0.630 8.162 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 958 0.070 8.670 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 958 1.054 7.198 3.059 1.00 0.00 H new ATOM 620 N GLY A 959 0.243 6.391 5.459 1.00 0.00 N ATOM 621 CA GLY A 959 1.292 5.739 6.225 1.00 0.00 C ATOM 622 C GLY A 959 0.736 4.693 7.169 1.00 0.00 C ATOM 623 O GLY A 959 1.274 3.590 7.282 1.00 0.00 O ATOM 0 H GLY A 959 0.070 7.366 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 959 2.002 5.271 5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.843 6.487 6.796 1.00 0.00 H new ATOM 627 N LEU A 960 -0.349 5.050 7.844 1.00 0.00 N ATOM 628 CA LEU A 960 -1.117 4.104 8.646 1.00 0.00 C ATOM 629 C LEU A 960 -1.586 2.943 7.784 1.00 0.00 C ATOM 630 O LEU A 960 -1.624 1.799 8.231 1.00 0.00 O ATOM 631 CB LEU A 960 -2.323 4.818 9.262 1.00 0.00 C ATOM 632 CG LEU A 960 -3.313 3.921 10.009 1.00 0.00 C ATOM 633 CD1 LEU A 960 -2.686 3.362 11.275 1.00 0.00 C ATOM 634 CD2 LEU A 960 -4.586 4.690 10.331 1.00 0.00 C ATOM 0 H LEU A 960 -0.721 6.000 7.852 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.483 3.713 9.441 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -1.958 5.579 9.952 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -2.859 5.338 8.468 1.00 0.00 H new ATOM 0 HG LEU A 960 -3.572 3.082 9.363 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -3.408 2.728 11.789 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -1.806 2.774 11.016 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -2.394 4.183 11.929 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -5.280 4.039 10.862 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -4.344 5.549 10.957 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -5.047 5.034 9.405 1.00 0.00 H new ATOM 646 N ALA A 961 -1.928 3.261 6.553 1.00 0.00 N ATOM 647 CA ALA A 961 -2.399 2.271 5.602 1.00 0.00 C ATOM 648 C ALA A 961 -1.386 1.144 5.408 1.00 0.00 C ATOM 649 O ALA A 961 -1.721 -0.022 5.606 1.00 0.00 O ATOM 650 CB ALA A 961 -2.720 2.936 4.286 1.00 0.00 C ATOM 0 H ALA A 961 -1.888 4.210 6.182 1.00 0.00 H new ATOM 0 HA ALA A 961 -3.306 1.820 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -3.073 2.187 3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.496 3.687 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -1.824 3.415 3.892 1.00 0.00 H new ATOM 656 N LEU A 962 -0.149 1.479 5.031 1.00 0.00 N ATOM 657 CA LEU A 962 0.886 0.461 4.875 1.00 0.00 C ATOM 658 C LEU A 962 1.194 -0.239 6.201 1.00 0.00 C ATOM 659 O LEU A 962 1.484 -1.427 6.212 1.00 0.00 O ATOM 660 CB LEU A 962 2.158 1.068 4.278 1.00 0.00 C ATOM 661 CG LEU A 962 3.406 0.175 4.332 1.00 0.00 C ATOM 662 CD1 LEU A 962 3.232 -1.051 3.453 1.00 0.00 C ATOM 663 CD2 LEU A 962 4.644 0.957 3.920 1.00 0.00 C ATOM 0 H LEU A 962 0.154 2.432 4.832 1.00 0.00 H new ATOM 0 HA LEU A 962 0.504 -0.292 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 962 1.962 1.326 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.376 1.999 4.802 1.00 0.00 H new ATOM 0 HG LEU A 962 3.538 -0.160 5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 962 4.129 -1.668 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 962 2.373 -1.627 3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 962 3.069 -0.739 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 962 5.517 0.306 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 962 4.519 1.326 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 962 4.784 1.800 4.597 1.00 0.00 H new ATOM 675 N ARG A 963 1.147 0.481 7.316 1.00 0.00 N ATOM 676 CA ARG A 963 1.356 -0.159 8.621 1.00 0.00 C ATOM 677 C ARG A 963 0.272 -1.199 8.909 1.00 0.00 C ATOM 678 O ARG A 963 0.566 -2.328 9.311 1.00 0.00 O ATOM 679 CB ARG A 963 1.410 0.867 9.752 1.00 0.00 C ATOM 680 CG ARG A 963 2.575 1.837 9.643 1.00 0.00 C ATOM 681 CD ARG A 963 2.888 2.492 10.979 1.00 0.00 C ATOM 682 NE ARG A 963 1.695 3.049 11.614 1.00 0.00 N ATOM 683 CZ ARG A 963 1.444 4.352 11.727 1.00 0.00 C ATOM 684 NH1 ARG A 963 2.290 5.246 11.233 1.00 0.00 N ATOM 685 NH2 ARG A 963 0.341 4.760 12.340 1.00 0.00 N ATOM 0 H ARG A 963 0.971 1.485 7.351 1.00 0.00 H new ATOM 0 HA ARG A 963 2.321 -0.664 8.574 1.00 0.00 H new ATOM 0 HB2 ARG A 963 0.478 1.432 9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 963 1.475 0.341 10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 963 3.457 1.308 9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 963 2.341 2.606 8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 963 3.342 1.758 11.644 1.00 0.00 H new ATOM 0 HD3 ARG A 963 3.622 3.284 10.830 1.00 0.00 H new ATOM 0 HE ARG A 963 1.010 2.397 11.996 1.00 0.00 H new ATOM 0 HH11 ARG A 963 3.141 4.937 10.762 1.00 0.00 H new ATOM 0 HH12 ARG A 963 2.090 6.242 11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 963 -0.312 4.077 12.723 1.00 0.00 H new ATOM 0 HH22 ARG A 963 0.146 5.757 12.428 1.00 0.00 H new ATOM 699 N THR A 964 -0.981 -0.816 8.725 1.00 0.00 N ATOM 700 CA THR A 964 -2.082 -1.773 8.806 1.00 0.00 C ATOM 701 C THR A 964 -1.843 -2.927 7.817 1.00 0.00 C ATOM 702 O THR A 964 -2.074 -4.104 8.121 1.00 0.00 O ATOM 703 CB THR A 964 -3.430 -1.088 8.511 1.00 0.00 C ATOM 704 OG1 THR A 964 -3.491 0.170 9.194 1.00 0.00 O ATOM 705 CG2 THR A 964 -4.594 -1.958 8.964 1.00 0.00 C ATOM 0 H THR A 964 -1.264 0.142 8.520 1.00 0.00 H new ATOM 0 HA THR A 964 -2.121 -2.171 9.820 1.00 0.00 H new ATOM 0 HB THR A 964 -3.505 -0.934 7.435 1.00 0.00 H new ATOM 0 HG1 THR A 964 -3.048 0.857 8.654 1.00 0.00 H new ATOM 0 HG21 THR A 964 -5.534 -1.452 8.744 1.00 0.00 H new ATOM 0 HG22 THR A 964 -4.563 -2.911 8.436 1.00 0.00 H new ATOM 0 HG23 THR A 964 -4.520 -2.135 10.037 1.00 0.00 H new ATOM 713 N LEU A 965 -1.329 -2.574 6.648 1.00 0.00 N ATOM 714 CA LEU A 965 -0.963 -3.551 5.632 1.00 0.00 C ATOM 715 C LEU A 965 0.144 -4.481 6.139 1.00 0.00 C ATOM 716 O LEU A 965 0.246 -5.628 5.714 1.00 0.00 O ATOM 717 CB LEU A 965 -0.513 -2.836 4.357 1.00 0.00 C ATOM 718 CG LEU A 965 -0.061 -3.750 3.222 1.00 0.00 C ATOM 719 CD1 LEU A 965 -1.196 -4.659 2.786 1.00 0.00 C ATOM 720 CD2 LEU A 965 0.440 -2.922 2.056 1.00 0.00 C ATOM 0 H LEU A 965 -1.154 -1.606 6.377 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.839 -4.159 5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -1.335 -2.217 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 965 0.307 -2.163 4.608 1.00 0.00 H new ATOM 0 HG LEU A 965 0.756 -4.376 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -0.855 -5.304 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -1.515 -5.273 3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -2.034 -4.054 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 965 0.760 -3.583 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.361 -2.276 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 965 1.282 -2.310 2.379 1.00 0.00 H new ATOM 732 N LEU A 966 0.960 -3.981 7.058 1.00 0.00 N ATOM 733 CA LEU A 966 2.037 -4.777 7.640 1.00 0.00 C ATOM 734 C LEU A 966 1.463 -5.943 8.436 1.00 0.00 C ATOM 735 O LEU A 966 2.092 -6.993 8.558 1.00 0.00 O ATOM 736 CB LEU A 966 2.945 -3.924 8.530 1.00 0.00 C ATOM 737 CG LEU A 966 3.739 -2.836 7.801 1.00 0.00 C ATOM 738 CD1 LEU A 966 4.590 -2.046 8.783 1.00 0.00 C ATOM 739 CD2 LEU A 966 4.611 -3.443 6.709 1.00 0.00 C ATOM 0 H LEU A 966 0.898 -3.028 7.417 1.00 0.00 H new ATOM 0 HA LEU A 966 2.642 -5.168 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 966 2.333 -3.451 9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 966 3.647 -4.582 9.042 1.00 0.00 H new ATOM 0 HG LEU A 966 3.029 -2.154 7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 966 5.147 -1.278 8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 966 3.946 -1.575 9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 966 5.288 -2.718 9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 966 5.166 -2.652 6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.311 -4.150 7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 966 3.981 -3.962 5.986 1.00 0.00 H new ATOM 751 N ALA A 967 0.262 -5.754 8.976 1.00 0.00 N ATOM 752 CA ALA A 967 -0.460 -6.849 9.613 1.00 0.00 C ATOM 753 C ALA A 967 -0.790 -7.922 8.575 1.00 0.00 C ATOM 754 O ALA A 967 -0.668 -9.122 8.834 1.00 0.00 O ATOM 755 CB ALA A 967 -1.725 -6.342 10.288 1.00 0.00 C ATOM 0 H ALA A 967 -0.228 -4.859 8.985 1.00 0.00 H new ATOM 0 HA ALA A 967 0.174 -7.288 10.384 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.247 -7.176 10.756 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -1.462 -5.606 11.048 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -2.374 -5.880 9.544 1.00 0.00 H new ATOM 761 N THR A 968 -1.189 -7.473 7.389 1.00 0.00 N ATOM 762 CA THR A 968 -1.394 -8.370 6.253 1.00 0.00 C ATOM 763 C THR A 968 -0.089 -9.072 5.881 1.00 0.00 C ATOM 764 O THR A 968 -0.069 -10.277 5.617 1.00 0.00 O ATOM 765 CB THR A 968 -1.933 -7.597 5.033 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.329 -7.364 5.193 1.00 0.00 O ATOM 767 CG2 THR A 968 -1.683 -8.335 3.728 1.00 0.00 C ATOM 0 H THR A 968 -1.378 -6.491 7.188 1.00 0.00 H new ATOM 0 HA THR A 968 -2.130 -9.118 6.547 1.00 0.00 H new ATOM 0 HB THR A 968 -1.397 -6.649 4.981 1.00 0.00 H new ATOM 0 HG1 THR A 968 -3.517 -7.134 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.080 -7.751 2.898 1.00 0.00 H new ATOM 0 HG22 THR A 968 -0.611 -8.478 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.178 -9.306 3.758 1.00 0.00 H new ATOM 775 N VAL A 969 0.991 -8.301 5.860 1.00 0.00 N ATOM 776 CA VAL A 969 2.319 -8.833 5.583 1.00 0.00 C ATOM 777 C VAL A 969 2.664 -9.980 6.535 1.00 0.00 C ATOM 778 O VAL A 969 3.363 -10.911 6.157 1.00 0.00 O ATOM 779 CB VAL A 969 3.399 -7.729 5.676 1.00 0.00 C ATOM 780 CG1 VAL A 969 4.794 -8.293 5.436 1.00 0.00 C ATOM 781 CG2 VAL A 969 3.103 -6.613 4.686 1.00 0.00 C ATOM 0 H VAL A 969 0.972 -7.296 6.033 1.00 0.00 H new ATOM 0 HA VAL A 969 2.305 -9.218 4.563 1.00 0.00 H new ATOM 0 HB VAL A 969 3.372 -7.322 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.528 -7.491 5.509 1.00 0.00 H new ATOM 0 HG12 VAL A 969 5.013 -9.054 6.185 1.00 0.00 H new ATOM 0 HG13 VAL A 969 4.840 -8.738 4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 969 3.872 -5.844 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 969 3.095 -7.017 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 969 2.130 -6.177 4.910 1.00 0.00 H new ATOM 791 N ASP A 970 2.147 -9.927 7.755 1.00 0.00 N ATOM 792 CA ASP A 970 2.427 -10.956 8.759 1.00 0.00 C ATOM 793 C ASP A 970 1.651 -12.233 8.490 1.00 0.00 C ATOM 794 O ASP A 970 2.082 -13.305 8.874 1.00 0.00 O ATOM 795 CB ASP A 970 2.117 -10.419 10.160 1.00 0.00 C ATOM 796 CG ASP A 970 2.418 -11.414 11.264 1.00 0.00 C ATOM 797 OD1 ASP A 970 1.539 -12.243 11.584 1.00 0.00 O ATOM 798 OD2 ASP A 970 3.529 -11.355 11.836 1.00 0.00 O ATOM 0 H ASP A 970 1.529 -9.182 8.078 1.00 0.00 H new ATOM 0 HA ASP A 970 3.487 -11.204 8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 970 2.697 -9.512 10.330 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.065 -10.139 10.210 1.00 0.00 H new ATOM 803 N GLU A 971 0.523 -12.117 7.825 1.00 0.00 N ATOM 804 CA GLU A 971 -0.198 -13.298 7.366 1.00 0.00 C ATOM 805 C GLU A 971 0.584 -13.944 6.236 1.00 0.00 C ATOM 806 O GLU A 971 0.867 -15.148 6.222 1.00 0.00 O ATOM 807 CB GLU A 971 -1.583 -12.900 6.874 1.00 0.00 C ATOM 808 CG GLU A 971 -2.413 -12.242 7.948 1.00 0.00 C ATOM 809 CD GLU A 971 -2.729 -13.194 9.079 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.415 -14.206 8.836 1.00 0.00 O ATOM 811 OE2 GLU A 971 -2.262 -12.949 10.211 1.00 0.00 O ATOM 0 H GLU A 971 0.083 -11.228 7.588 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.307 -14.004 8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.483 -12.219 6.029 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -2.103 -13.786 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.879 -11.377 8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -3.342 -11.873 7.514 1.00 0.00 H new ATOM 818 N SER A 972 0.954 -13.101 5.303 1.00 0.00 N ATOM 819 CA SER A 972 1.691 -13.505 4.134 1.00 0.00 C ATOM 820 C SER A 972 3.112 -13.949 4.488 1.00 0.00 C ATOM 821 O SER A 972 3.729 -14.689 3.735 1.00 0.00 O ATOM 822 CB SER A 972 1.699 -12.359 3.133 1.00 0.00 C ATOM 823 OG SER A 972 2.447 -12.688 1.984 1.00 0.00 O ATOM 0 H SER A 972 0.748 -12.103 5.336 1.00 0.00 H new ATOM 0 HA SER A 972 1.201 -14.369 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.676 -12.117 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 972 2.119 -11.468 3.600 1.00 0.00 H new ATOM 0 HG SER A 972 2.954 -11.903 1.688 1.00 0.00 H new ATOM 829 N LEU A 973 3.635 -13.458 5.607 1.00 0.00 N ATOM 830 CA LEU A 973 5.000 -13.772 6.032 1.00 0.00 C ATOM 831 C LEU A 973 5.184 -15.276 6.277 1.00 0.00 C ATOM 832 O LEU A 973 6.124 -15.845 5.752 1.00 0.00 O ATOM 833 CB LEU A 973 5.380 -12.955 7.278 1.00 0.00 C ATOM 834 CG LEU A 973 6.881 -12.695 7.484 1.00 0.00 C ATOM 835 CD1 LEU A 973 7.084 -11.614 8.533 1.00 0.00 C ATOM 836 CD2 LEU A 973 7.611 -13.964 7.897 1.00 0.00 C ATOM 0 H LEU A 973 3.133 -12.837 6.241 1.00 0.00 H new ATOM 0 HA LEU A 973 5.674 -13.493 5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 973 4.869 -11.994 7.227 1.00 0.00 H new ATOM 0 HB3 LEU A 973 4.998 -13.473 8.158 1.00 0.00 H new ATOM 0 HG LEU A 973 7.298 -12.360 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 973 8.151 -11.437 8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 973 6.603 -10.693 8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 973 6.644 -11.936 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 973 8.670 -13.746 8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 973 7.193 -14.336 8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 973 7.494 -14.720 7.121 1.00 0.00 H new ATOM 848 N PRO A 974 4.334 -15.963 7.074 1.00 0.00 N ATOM 849 CA PRO A 974 4.388 -17.429 7.150 1.00 0.00 C ATOM 850 C PRO A 974 4.143 -18.061 5.786 1.00 0.00 C ATOM 851 O PRO A 974 4.628 -19.162 5.487 1.00 0.00 O ATOM 852 CB PRO A 974 3.265 -17.790 8.120 1.00 0.00 C ATOM 853 CG PRO A 974 3.064 -16.559 8.922 1.00 0.00 C ATOM 854 CD PRO A 974 3.338 -15.423 7.985 1.00 0.00 C ATOM 0 HA PRO A 974 5.363 -17.791 7.476 1.00 0.00 H new ATOM 0 HB2 PRO A 974 2.356 -18.072 7.589 1.00 0.00 H new ATOM 0 HB3 PRO A 974 3.540 -18.635 8.751 1.00 0.00 H new ATOM 0 HG2 PRO A 974 2.049 -16.508 9.315 1.00 0.00 H new ATOM 0 HG3 PRO A 974 3.739 -16.533 9.778 1.00 0.00 H new ATOM 0 HD2 PRO A 974 2.437 -15.114 7.456 1.00 0.00 H new ATOM 0 HD3 PRO A 974 3.713 -14.547 8.515 1.00 0.00 H new ATOM 862 N VAL A 975 3.405 -17.358 4.939 1.00 0.00 N ATOM 863 CA VAL A 975 3.198 -17.848 3.576 1.00 0.00 C ATOM 864 C VAL A 975 4.439 -17.566 2.713 1.00 0.00 C ATOM 865 O VAL A 975 4.580 -18.100 1.615 1.00 0.00 O ATOM 866 CB VAL A 975 1.931 -17.258 2.919 1.00 0.00 C ATOM 867 CG1 VAL A 975 1.493 -18.126 1.749 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.805 -17.134 3.930 1.00 0.00 C ATOM 0 H VAL A 975 2.950 -16.472 5.158 1.00 0.00 H new ATOM 0 HA VAL A 975 3.045 -18.925 3.642 1.00 0.00 H new ATOM 0 HB VAL A 975 2.170 -16.261 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 975 0.599 -17.700 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.292 -18.169 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 975 1.274 -19.133 2.105 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -0.076 -16.716 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.566 -18.119 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 975 1.116 -16.478 4.743 1.00 0.00 H new ATOM 878 N LEU A 976 5.348 -16.745 3.235 1.00 0.00 N ATOM 879 CA LEU A 976 6.619 -16.440 2.572 1.00 0.00 C ATOM 880 C LEU A 976 7.513 -17.688 2.482 1.00 0.00 C ATOM 881 O LEU A 976 7.922 -18.047 1.376 1.00 0.00 O ATOM 882 CB LEU A 976 7.314 -15.246 3.274 1.00 0.00 C ATOM 883 CG LEU A 976 8.778 -14.941 2.914 1.00 0.00 C ATOM 884 CD1 LEU A 976 9.091 -13.482 3.192 1.00 0.00 C ATOM 885 CD2 LEU A 976 9.747 -15.809 3.705 1.00 0.00 C ATOM 0 H LEU A 976 5.226 -16.271 4.130 1.00 0.00 H new ATOM 0 HA LEU A 976 6.422 -16.137 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 976 6.727 -14.351 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 976 7.265 -15.418 4.349 1.00 0.00 H new ATOM 0 HG LEU A 976 8.902 -15.159 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 976 10.130 -13.277 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 976 8.436 -12.849 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 976 8.932 -13.271 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 976 10.770 -15.563 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 976 9.612 -15.627 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 976 9.554 -16.860 3.489 1.00 0.00 H new ATOM 897 N PRO A 977 7.827 -18.392 3.609 1.00 0.00 N ATOM 898 CA PRO A 977 8.576 -19.652 3.537 1.00 0.00 C ATOM 899 C PRO A 977 7.780 -20.723 2.812 1.00 0.00 C ATOM 900 O PRO A 977 8.345 -21.682 2.281 1.00 0.00 O ATOM 901 CB PRO A 977 8.811 -20.045 4.998 1.00 0.00 C ATOM 902 CG PRO A 977 7.780 -19.303 5.764 1.00 0.00 C ATOM 903 CD PRO A 977 7.529 -18.034 5.003 1.00 0.00 C ATOM 0 HA PRO A 977 9.507 -19.543 2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 977 8.709 -21.121 5.139 1.00 0.00 H new ATOM 0 HB3 PRO A 977 9.816 -19.774 5.323 1.00 0.00 H new ATOM 0 HG2 PRO A 977 6.866 -19.889 5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 977 8.125 -19.089 6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.499 -17.697 5.117 1.00 0.00 H new ATOM 0 HD3 PRO A 977 8.170 -17.225 5.353 1.00 0.00 H new ATOM 911 N ALA A 978 6.458 -20.564 2.802 1.00 0.00 N ATOM 912 CA ALA A 978 5.610 -21.425 1.999 1.00 0.00 C ATOM 913 C ALA A 978 5.896 -21.216 0.510 1.00 0.00 C ATOM 914 O ALA A 978 6.319 -22.147 -0.173 1.00 0.00 O ATOM 915 CB ALA A 978 4.142 -21.180 2.310 1.00 0.00 C ATOM 0 H ALA A 978 5.960 -19.853 3.337 1.00 0.00 H new ATOM 0 HA ALA A 978 5.836 -22.462 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 978 3.526 -21.837 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 978 3.954 -21.386 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.893 -20.141 2.093 1.00 0.00 H new ATOM 921 N SER A 979 5.697 -19.990 0.018 1.00 0.00 N ATOM 922 CA SER A 979 5.896 -19.687 -1.404 1.00 0.00 C ATOM 923 C SER A 979 5.963 -18.170 -1.676 1.00 0.00 C ATOM 924 O SER A 979 6.708 -17.717 -2.548 1.00 0.00 O ATOM 925 CB SER A 979 4.761 -20.313 -2.230 1.00 0.00 C ATOM 926 OG SER A 979 4.898 -21.723 -2.316 1.00 0.00 O ATOM 0 H SER A 979 5.399 -19.193 0.580 1.00 0.00 H new ATOM 0 HA SER A 979 6.855 -20.114 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.801 -20.067 -1.777 1.00 0.00 H new ATOM 0 HB3 SER A 979 4.760 -19.885 -3.232 1.00 0.00 H new ATOM 0 HG SER A 979 5.698 -22.004 -1.825 1.00 0.00 H new ATOM 932 N THR A 980 5.193 -17.403 -0.910 1.00 0.00 N ATOM 933 CA THR A 980 4.999 -15.961 -1.134 1.00 0.00 C ATOM 934 C THR A 980 6.282 -15.123 -1.175 1.00 0.00 C ATOM 935 O THR A 980 6.262 -14.017 -1.714 1.00 0.00 O ATOM 936 CB THR A 980 4.075 -15.362 -0.070 1.00 0.00 C ATOM 937 OG1 THR A 980 2.898 -16.154 0.030 1.00 0.00 O ATOM 938 CG2 THR A 980 3.696 -13.936 -0.428 1.00 0.00 C ATOM 0 H THR A 980 4.678 -17.762 -0.106 1.00 0.00 H new ATOM 0 HA THR A 980 4.556 -15.910 -2.129 1.00 0.00 H new ATOM 0 HB THR A 980 4.601 -15.352 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 980 2.298 -15.765 0.700 1.00 0.00 H new ATOM 0 HG21 THR A 980 3.039 -13.530 0.341 1.00 0.00 H new ATOM 0 HG22 THR A 980 4.597 -13.326 -0.495 1.00 0.00 H new ATOM 0 HG23 THR A 980 3.179 -13.927 -1.388 1.00 0.00 H new ATOM 946 N HIS A 981 7.383 -15.634 -0.624 1.00 0.00 N ATOM 947 CA HIS A 981 8.624 -14.849 -0.490 1.00 0.00 C ATOM 948 C HIS A 981 9.040 -14.163 -1.797 1.00 0.00 C ATOM 949 O HIS A 981 9.760 -13.178 -1.773 1.00 0.00 O ATOM 950 CB HIS A 981 9.783 -15.728 0.011 1.00 0.00 C ATOM 951 CG HIS A 981 10.155 -16.865 -0.897 1.00 0.00 C ATOM 952 ND1 HIS A 981 9.842 -18.177 -0.624 1.00 0.00 N ATOM 953 CD2 HIS A 981 10.828 -16.880 -2.070 1.00 0.00 C ATOM 954 CE1 HIS A 981 10.302 -18.947 -1.591 1.00 0.00 C ATOM 955 NE2 HIS A 981 10.905 -18.185 -2.480 1.00 0.00 N ATOM 0 H HIS A 981 7.447 -16.585 -0.262 1.00 0.00 H new ATOM 0 HA HIS A 981 8.407 -14.071 0.242 1.00 0.00 H new ATOM 0 HB2 HIS A 981 10.660 -15.098 0.158 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.516 -16.134 0.987 1.00 0.00 H new ATOM 0 HD1 HIS A 981 9.334 -18.503 0.198 1.00 0.00 H new ATOM 0 HD2 HIS A 981 11.230 -16.022 -2.588 1.00 0.00 H new ATOM 0 HE1 HIS A 981 10.201 -20.021 -1.645 1.00 0.00 H new ATOM 964 N ARG A 982 8.557 -14.659 -2.920 1.00 0.00 N ATOM 965 CA ARG A 982 8.908 -14.067 -4.205 1.00 0.00 C ATOM 966 C ARG A 982 8.178 -12.733 -4.404 1.00 0.00 C ATOM 967 O ARG A 982 8.806 -11.701 -4.655 1.00 0.00 O ATOM 968 CB ARG A 982 8.575 -15.038 -5.339 1.00 0.00 C ATOM 969 CG ARG A 982 9.348 -16.343 -5.246 1.00 0.00 C ATOM 970 CD ARG A 982 8.863 -17.365 -6.257 1.00 0.00 C ATOM 971 NE ARG A 982 9.165 -16.988 -7.637 1.00 0.00 N ATOM 972 CZ ARG A 982 8.885 -17.753 -8.691 1.00 0.00 C ATOM 973 NH1 ARG A 982 8.298 -18.935 -8.520 1.00 0.00 N ATOM 974 NH2 ARG A 982 9.204 -17.344 -9.910 1.00 0.00 N ATOM 0 H ARG A 982 7.928 -15.460 -2.974 1.00 0.00 H new ATOM 0 HA ARG A 982 9.980 -13.871 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.506 -15.253 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 982 8.791 -14.561 -6.295 1.00 0.00 H new ATOM 0 HG2 ARG A 982 10.408 -16.148 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 982 9.249 -16.752 -4.241 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.323 -18.329 -6.040 1.00 0.00 H new ATOM 0 HD3 ARG A 982 7.786 -17.493 -6.148 1.00 0.00 H new ATOM 0 HE ARG A 982 9.616 -16.088 -7.802 1.00 0.00 H new ATOM 0 HH11 ARG A 982 8.062 -19.256 -7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 982 8.084 -19.520 -9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 982 9.664 -16.443 -10.042 1.00 0.00 H new ATOM 0 HH22 ARG A 982 8.990 -17.930 -10.717 1.00 0.00 H new ATOM 988 N GLU A 983 6.858 -12.735 -4.253 1.00 0.00 N ATOM 989 CA GLU A 983 6.098 -11.495 -4.388 1.00 0.00 C ATOM 990 C GLU A 983 6.199 -10.621 -3.168 1.00 0.00 C ATOM 991 O GLU A 983 6.319 -9.400 -3.284 1.00 0.00 O ATOM 992 CB GLU A 983 4.624 -11.727 -4.648 1.00 0.00 C ATOM 993 CG GLU A 983 4.218 -11.375 -6.051 1.00 0.00 C ATOM 994 CD GLU A 983 4.683 -12.403 -7.068 1.00 0.00 C ATOM 995 OE1 GLU A 983 3.993 -13.434 -7.236 1.00 0.00 O ATOM 996 OE2 GLU A 983 5.739 -12.195 -7.698 1.00 0.00 O ATOM 0 H GLU A 983 6.300 -13.562 -4.041 1.00 0.00 H new ATOM 0 HA GLU A 983 6.551 -11.001 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.386 -12.774 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.038 -11.134 -3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 983 3.133 -11.286 -6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 983 4.630 -10.400 -6.311 1.00 0.00 H new ATOM 1003 N ILE A 984 6.094 -11.226 -1.997 1.00 0.00 N ATOM 1004 CA ILE A 984 6.034 -10.456 -0.774 1.00 0.00 C ATOM 1005 C ILE A 984 7.284 -9.597 -0.670 1.00 0.00 C ATOM 1006 O ILE A 984 7.222 -8.460 -0.238 1.00 0.00 O ATOM 1007 CB ILE A 984 5.828 -11.366 0.468 1.00 0.00 C ATOM 1008 CG1 ILE A 984 5.372 -10.562 1.700 1.00 0.00 C ATOM 1009 CG2 ILE A 984 7.087 -12.153 0.783 1.00 0.00 C ATOM 1010 CD1 ILE A 984 6.480 -9.820 2.426 1.00 0.00 C ATOM 0 H ILE A 984 6.049 -12.237 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 984 5.165 -9.799 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 984 5.033 -12.069 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 984 4.617 -9.841 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 984 4.890 -11.243 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.914 -12.781 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.347 -12.780 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.906 -11.463 0.988 1.00 0.00 H new ATOM 0 HD11 ILE A 984 6.061 -9.284 3.278 1.00 0.00 H new ATOM 0 HD12 ILE A 984 7.226 -10.533 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 984 6.949 -9.110 1.745 1.00 0.00 H new ATOM 1022 N GLU A 985 8.403 -10.121 -1.148 1.00 0.00 N ATOM 1023 CA GLU A 985 9.628 -9.347 -1.182 1.00 0.00 C ATOM 1024 C GLU A 985 9.594 -8.285 -2.281 1.00 0.00 C ATOM 1025 O GLU A 985 10.174 -7.208 -2.111 1.00 0.00 O ATOM 1026 CB GLU A 985 10.853 -10.245 -1.347 1.00 0.00 C ATOM 1027 CG GLU A 985 11.167 -11.073 -0.110 1.00 0.00 C ATOM 1028 CD GLU A 985 12.520 -11.752 -0.191 1.00 0.00 C ATOM 1029 OE1 GLU A 985 13.524 -11.134 0.232 1.00 0.00 O ATOM 1030 OE2 GLU A 985 12.593 -12.900 -0.677 1.00 0.00 O ATOM 0 H GLU A 985 8.485 -11.070 -1.514 1.00 0.00 H new ATOM 0 HA GLU A 985 9.706 -8.837 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 985 10.692 -10.915 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 985 11.717 -9.627 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 985 11.139 -10.430 0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 985 10.393 -11.829 0.023 1.00 0.00 H new ATOM 1037 N MET A 986 8.914 -8.560 -3.402 1.00 0.00 N ATOM 1038 CA MET A 986 8.926 -7.614 -4.515 1.00 0.00 C ATOM 1039 C MET A 986 8.156 -6.333 -4.174 1.00 0.00 C ATOM 1040 O MET A 986 8.703 -5.228 -4.249 1.00 0.00 O ATOM 1041 CB MET A 986 8.430 -8.249 -5.832 1.00 0.00 C ATOM 1042 CG MET A 986 6.922 -8.260 -6.047 1.00 0.00 C ATOM 1043 SD MET A 986 6.476 -8.795 -7.711 1.00 0.00 S ATOM 1044 CE MET A 986 4.712 -8.492 -7.726 1.00 0.00 C ATOM 0 H MET A 986 8.365 -9.405 -3.557 1.00 0.00 H new ATOM 0 HA MET A 986 9.967 -7.335 -4.679 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.891 -7.716 -6.664 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.790 -9.277 -5.873 1.00 0.00 H new ATOM 0 HG2 MET A 986 6.457 -8.923 -5.317 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.524 -7.261 -5.869 1.00 0.00 H new ATOM 0 HE1 MET A 986 4.180 -9.442 -7.784 1.00 0.00 H new ATOM 0 HE2 MET A 986 4.425 -7.970 -6.813 1.00 0.00 H new ATOM 0 HE3 MET A 986 4.455 -7.879 -8.590 1.00 0.00 H new ATOM 1054 N ALA A 987 6.904 -6.475 -3.760 1.00 0.00 N ATOM 1055 CA ALA A 987 6.062 -5.328 -3.503 1.00 0.00 C ATOM 1056 C ALA A 987 6.340 -4.702 -2.150 1.00 0.00 C ATOM 1057 O ALA A 987 6.226 -3.504 -2.012 1.00 0.00 O ATOM 1058 CB ALA A 987 4.600 -5.687 -3.630 1.00 0.00 C ATOM 0 H ALA A 987 6.454 -7.376 -3.597 1.00 0.00 H new ATOM 0 HA ALA A 987 6.305 -4.584 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.990 -4.806 -3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.400 -6.047 -4.639 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.353 -6.468 -2.911 1.00 0.00 H new ATOM 1064 N GLN A 988 6.692 -5.501 -1.147 1.00 0.00 N ATOM 1065 CA GLN A 988 6.953 -4.953 0.189 1.00 0.00 C ATOM 1066 C GLN A 988 8.086 -3.927 0.150 1.00 0.00 C ATOM 1067 O GLN A 988 7.976 -2.839 0.722 1.00 0.00 O ATOM 1068 CB GLN A 988 7.295 -6.057 1.194 1.00 0.00 C ATOM 1069 CG GLN A 988 7.713 -5.551 2.571 1.00 0.00 C ATOM 1070 CD GLN A 988 6.605 -4.807 3.289 1.00 0.00 C ATOM 1071 OE1 GLN A 988 5.427 -5.085 3.093 1.00 0.00 O ATOM 1072 NE2 GLN A 988 6.975 -3.856 4.134 1.00 0.00 N ATOM 0 H GLN A 988 6.803 -6.512 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 988 6.037 -4.460 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 988 6.429 -6.708 1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 988 8.101 -6.667 0.785 1.00 0.00 H new ATOM 0 HG2 GLN A 988 8.031 -6.396 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 988 8.575 -4.893 2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 988 7.965 -3.653 4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 988 6.270 -3.327 4.647 1.00 0.00 H new ATOM 1081 N LYS A 989 9.175 -4.276 -0.529 1.00 0.00 N ATOM 1082 CA LYS A 989 10.296 -3.351 -0.690 1.00 0.00 C ATOM 1083 C LYS A 989 9.883 -2.183 -1.573 1.00 0.00 C ATOM 1084 O LYS A 989 10.432 -1.082 -1.484 1.00 0.00 O ATOM 1085 CB LYS A 989 11.506 -4.068 -1.289 1.00 0.00 C ATOM 1086 CG LYS A 989 12.095 -5.126 -0.374 1.00 0.00 C ATOM 1087 CD LYS A 989 12.557 -4.522 0.942 1.00 0.00 C ATOM 1088 CE LYS A 989 13.097 -5.583 1.885 1.00 0.00 C ATOM 1089 NZ LYS A 989 14.275 -6.291 1.318 1.00 0.00 N ATOM 0 H LYS A 989 9.306 -5.184 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 989 10.577 -2.971 0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 989 11.213 -4.534 -2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 989 12.275 -3.332 -1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 989 11.350 -5.898 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 989 12.936 -5.611 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 989 13.330 -3.778 0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 989 11.725 -4.002 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 989 13.375 -5.118 2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 989 12.311 -6.306 2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 14.722 -6.869 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 13.968 -6.906 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 14.960 -5.595 0.961 1.00 0.00 H new ATOM 1103 N LEU A 990 8.901 -2.442 -2.418 1.00 0.00 N ATOM 1104 CA LEU A 990 8.319 -1.426 -3.268 1.00 0.00 C ATOM 1105 C LEU A 990 7.440 -0.475 -2.438 1.00 0.00 C ATOM 1106 O LEU A 990 7.518 0.743 -2.598 1.00 0.00 O ATOM 1107 CB LEU A 990 7.548 -2.133 -4.393 1.00 0.00 C ATOM 1108 CG LEU A 990 6.299 -1.438 -4.914 1.00 0.00 C ATOM 1109 CD1 LEU A 990 6.651 -0.123 -5.586 1.00 0.00 C ATOM 1110 CD2 LEU A 990 5.562 -2.339 -5.882 1.00 0.00 C ATOM 0 H LEU A 990 8.486 -3.367 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 990 9.089 -0.802 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 990 8.229 -2.279 -5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 990 7.262 -3.123 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 990 5.649 -1.225 -4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 990 5.741 0.355 -5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 990 7.142 0.533 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 990 7.322 -0.311 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 990 4.670 -1.829 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 990 6.213 -2.579 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.272 -3.259 -5.374 1.00 0.00 H new ATOM 1122 N LEU A 991 6.655 -1.038 -1.518 1.00 0.00 N ATOM 1123 CA LEU A 991 5.798 -0.256 -0.628 1.00 0.00 C ATOM 1124 C LEU A 991 6.636 0.709 0.175 1.00 0.00 C ATOM 1125 O LEU A 991 6.338 1.895 0.260 1.00 0.00 O ATOM 1126 CB LEU A 991 5.059 -1.161 0.358 1.00 0.00 C ATOM 1127 CG LEU A 991 4.251 -2.296 -0.253 1.00 0.00 C ATOM 1128 CD1 LEU A 991 4.090 -3.427 0.746 1.00 0.00 C ATOM 1129 CD2 LEU A 991 2.887 -1.806 -0.680 1.00 0.00 C ATOM 0 H LEU A 991 6.596 -2.045 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 991 5.078 0.277 -1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 991 5.789 -1.590 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.387 -0.543 0.954 1.00 0.00 H new ATOM 0 HG LEU A 991 4.789 -2.662 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 991 3.510 -4.232 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 991 5.072 -3.804 1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 991 3.572 -3.059 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.323 -2.632 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.352 -1.418 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 991 3.000 -1.014 -1.421 1.00 0.00 H new ATOM 1141 N ASN A 992 7.698 0.177 0.767 1.00 0.00 N ATOM 1142 CA ASN A 992 8.573 0.961 1.613 1.00 0.00 C ATOM 1143 C ASN A 992 9.100 2.172 0.859 1.00 0.00 C ATOM 1144 O ASN A 992 9.144 3.268 1.395 1.00 0.00 O ATOM 1145 CB ASN A 992 9.734 0.100 2.122 1.00 0.00 C ATOM 1146 CG ASN A 992 10.678 0.870 3.027 1.00 0.00 C ATOM 1147 OD1 ASN A 992 10.446 0.979 4.231 1.00 0.00 O ATOM 1148 ND2 ASN A 992 11.756 1.386 2.463 1.00 0.00 N ATOM 0 H ASN A 992 7.971 -0.801 0.672 1.00 0.00 H new ATOM 0 HA ASN A 992 8.000 1.313 2.471 1.00 0.00 H new ATOM 0 HB2 ASN A 992 9.335 -0.757 2.664 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.291 -0.292 1.271 1.00 0.00 H new ATOM 0 HD21 ASN A 992 12.433 1.897 3.029 1.00 0.00 H new ATOM 0 HD22 ASN A 992 11.911 1.273 1.461 1.00 0.00 H new ATOM 1155 N SER A 993 9.454 1.974 -0.401 1.00 0.00 N ATOM 1156 CA SER A 993 10.024 3.046 -1.197 1.00 0.00 C ATOM 1157 C SER A 993 8.987 4.124 -1.515 1.00 0.00 C ATOM 1158 O SER A 993 9.276 5.310 -1.384 1.00 0.00 O ATOM 1159 CB SER A 993 10.624 2.488 -2.494 1.00 0.00 C ATOM 1160 OG SER A 993 11.271 3.507 -3.246 1.00 0.00 O ATOM 0 H SER A 993 9.357 1.085 -0.891 1.00 0.00 H new ATOM 0 HA SER A 993 10.816 3.509 -0.608 1.00 0.00 H new ATOM 0 HB2 SER A 993 11.338 1.700 -2.257 1.00 0.00 H new ATOM 0 HB3 SER A 993 9.836 2.034 -3.095 1.00 0.00 H new ATOM 0 HG SER A 993 11.645 3.121 -4.066 1.00 0.00 H new ATOM 1166 N ASP A 994 7.772 3.726 -1.880 1.00 0.00 N ATOM 1167 CA ASP A 994 6.813 4.690 -2.418 1.00 0.00 C ATOM 1168 C ASP A 994 5.865 5.226 -1.348 1.00 0.00 C ATOM 1169 O ASP A 994 5.578 6.428 -1.321 1.00 0.00 O ATOM 1170 CB ASP A 994 6.039 4.101 -3.598 1.00 0.00 C ATOM 1171 CG ASP A 994 6.905 3.983 -4.841 1.00 0.00 C ATOM 1172 OD1 ASP A 994 7.374 5.025 -5.354 1.00 0.00 O ATOM 1173 OD2 ASP A 994 7.128 2.854 -5.318 1.00 0.00 O ATOM 0 H ASP A 994 7.432 2.767 -1.816 1.00 0.00 H new ATOM 0 HA ASP A 994 7.391 5.540 -2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 994 5.657 3.117 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.175 4.729 -3.816 1.00 0.00 H new ATOM 1178 N LEU A 995 5.393 4.357 -0.456 1.00 0.00 N ATOM 1179 CA LEU A 995 4.562 4.799 0.662 1.00 0.00 C ATOM 1180 C LEU A 995 5.362 5.802 1.491 1.00 0.00 C ATOM 1181 O LEU A 995 4.916 6.925 1.744 1.00 0.00 O ATOM 1182 CB LEU A 995 4.139 3.603 1.552 1.00 0.00 C ATOM 1183 CG LEU A 995 2.810 3.731 2.312 1.00 0.00 C ATOM 1184 CD1 LEU A 995 2.691 5.075 3.011 1.00 0.00 C ATOM 1185 CD2 LEU A 995 1.632 3.483 1.383 1.00 0.00 C ATOM 0 H LEU A 995 5.569 3.353 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 995 3.655 5.261 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 995 4.084 2.715 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 995 4.930 3.428 2.281 1.00 0.00 H new ATOM 0 HG LEU A 995 2.796 2.965 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 995 1.738 5.128 3.538 1.00 0.00 H new ATOM 0 HD12 LEU A 995 3.507 5.187 3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 995 2.742 5.875 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 995 0.701 3.579 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 995 1.646 4.214 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 995 1.703 2.479 0.966 1.00 0.00 H new ATOM 1197 N ALA A 996 6.560 5.384 1.887 1.00 0.00 N ATOM 1198 CA ALA A 996 7.407 6.208 2.735 1.00 0.00 C ATOM 1199 C ALA A 996 7.766 7.532 2.084 1.00 0.00 C ATOM 1200 O ALA A 996 7.647 8.579 2.726 1.00 0.00 O ATOM 1201 CB ALA A 996 8.662 5.465 3.159 1.00 0.00 C ATOM 0 H ALA A 996 6.963 4.482 1.634 1.00 0.00 H new ATOM 0 HA ALA A 996 6.822 6.432 3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 996 9.271 6.111 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 996 8.384 4.570 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 996 9.233 5.180 2.275 1.00 0.00 H new ATOM 1207 N GLU A 997 8.216 7.519 0.834 1.00 0.00 N ATOM 1208 CA GLU A 997 8.598 8.773 0.212 1.00 0.00 C ATOM 1209 C GLU A 997 7.411 9.697 0.058 1.00 0.00 C ATOM 1210 O GLU A 997 7.583 10.898 0.138 1.00 0.00 O ATOM 1211 CB GLU A 997 9.340 8.610 -1.115 1.00 0.00 C ATOM 1212 CG GLU A 997 8.501 8.124 -2.280 1.00 0.00 C ATOM 1213 CD GLU A 997 9.276 8.189 -3.580 1.00 0.00 C ATOM 1214 OE1 GLU A 997 10.236 7.410 -3.747 1.00 0.00 O ATOM 1215 OE2 GLU A 997 8.953 9.052 -4.431 1.00 0.00 O ATOM 0 H GLU A 997 8.321 6.687 0.253 1.00 0.00 H new ATOM 0 HA GLU A 997 9.312 9.229 0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 997 9.781 9.570 -1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 997 10.163 7.911 -0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 997 8.179 7.099 -2.097 1.00 0.00 H new ATOM 0 HG3 GLU A 997 7.600 8.732 -2.360 1.00 0.00 H new ATOM 1222 N LEU A 998 6.209 9.159 -0.149 1.00 0.00 N ATOM 1223 CA LEU A 998 5.047 10.026 -0.301 1.00 0.00 C ATOM 1224 C LEU A 998 4.795 10.785 0.995 1.00 0.00 C ATOM 1225 O LEU A 998 4.455 11.971 0.975 1.00 0.00 O ATOM 1226 CB LEU A 998 3.786 9.255 -0.705 1.00 0.00 C ATOM 1227 CG LEU A 998 2.562 10.151 -0.934 1.00 0.00 C ATOM 1228 CD1 LEU A 998 2.827 11.146 -2.052 1.00 0.00 C ATOM 1229 CD2 LEU A 998 1.326 9.325 -1.243 1.00 0.00 C ATOM 0 H LEU A 998 6.019 8.159 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 998 5.270 10.725 -1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.990 8.694 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.552 8.527 0.071 1.00 0.00 H new ATOM 0 HG LEU A 998 2.377 10.703 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.947 11.772 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 998 3.678 11.773 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 998 3.047 10.607 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 998 0.475 9.988 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 998 1.498 8.736 -2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 998 1.116 8.658 -0.407 1.00 0.00 H new ATOM 1241 N ILE A 999 4.999 10.102 2.119 1.00 0.00 N ATOM 1242 CA ILE A 999 4.864 10.717 3.437 1.00 0.00 C ATOM 1243 C ILE A 999 5.761 11.944 3.545 1.00 0.00 C ATOM 1244 O ILE A 999 5.366 12.977 4.076 1.00 0.00 O ATOM 1245 CB ILE A 999 5.216 9.717 4.561 1.00 0.00 C ATOM 1246 CG1 ILE A 999 4.284 8.503 4.503 1.00 0.00 C ATOM 1247 CG2 ILE A 999 5.135 10.387 5.930 1.00 0.00 C ATOM 1248 CD1 ILE A 999 4.622 7.427 5.513 1.00 0.00 C ATOM 0 H ILE A 999 5.260 9.116 2.143 1.00 0.00 H new ATOM 0 HA ILE A 999 3.823 11.018 3.556 1.00 0.00 H new ATOM 0 HB ILE A 999 6.241 9.379 4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 999 3.259 8.835 4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 999 4.323 8.074 3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 999 5.387 9.663 6.705 1.00 0.00 H new ATOM 0 HG22 ILE A 999 5.837 11.220 5.970 1.00 0.00 H new ATOM 0 HG23 ILE A 999 4.123 10.757 6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 999 3.920 6.600 5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 999 5.635 7.066 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 999 4.555 7.839 6.520 1.00 0.00 H new ATOM 1260 N ASN A1000 6.951 11.829 2.978 1.00 0.00 N ATOM 1261 CA ASN A1000 7.937 12.904 3.011 1.00 0.00 C ATOM 1262 C ASN A1000 7.848 13.729 1.741 1.00 0.00 C ATOM 1263 O ASN A1000 8.512 14.744 1.611 1.00 0.00 O ATOM 1264 CB ASN A1000 9.351 12.331 3.160 1.00 0.00 C ATOM 1265 CG ASN A1000 9.536 11.540 4.441 1.00 0.00 C ATOM 1266 OD1 ASN A1000 9.932 12.086 5.471 1.00 0.00 O ATOM 1267 ND2 ASN A1000 9.253 10.245 4.389 1.00 0.00 N ATOM 0 H ASN A1000 7.262 10.993 2.483 1.00 0.00 H new ATOM 0 HA ASN A1000 7.725 13.542 3.869 1.00 0.00 H new ATOM 0 HB2 ASN A1000 9.569 11.688 2.307 1.00 0.00 H new ATOM 0 HB3 ASN A1000 10.073 13.147 3.136 1.00 0.00 H new ATOM 0 HD21 ASN A1000 9.361 9.666 5.221 1.00 0.00 H new ATOM 0 HD22 ASN A1000 8.927 9.829 3.517 1.00 0.00 H new ATOM 1274 N LYS A1001 7.014 13.293 0.814 1.00 0.00 N ATOM 1275 CA LYS A1001 6.838 13.998 -0.445 1.00 0.00 C ATOM 1276 C LYS A1001 5.847 15.111 -0.229 1.00 0.00 C ATOM 1277 O LYS A1001 6.050 16.237 -0.675 1.00 0.00 O ATOM 1278 CB LYS A1001 6.324 13.067 -1.546 1.00 0.00 C ATOM 1279 CG LYS A1001 6.690 13.526 -2.947 1.00 0.00 C ATOM 1280 CD LYS A1001 8.125 13.151 -3.287 1.00 0.00 C ATOM 1281 CE LYS A1001 8.533 13.650 -4.664 1.00 0.00 C ATOM 1282 NZ LYS A1001 8.796 15.115 -4.673 1.00 0.00 N ATOM 0 H LYS A1001 6.446 12.451 0.909 1.00 0.00 H new ATOM 0 HA LYS A1001 7.803 14.390 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.727 12.067 -1.383 1.00 0.00 H new ATOM 0 HB3 LYS A1001 5.239 12.990 -1.469 1.00 0.00 H new ATOM 0 HG2 LYS A1001 6.011 13.074 -3.670 1.00 0.00 H new ATOM 0 HG3 LYS A1001 6.565 14.606 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.796 13.568 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.236 12.067 -3.246 1.00 0.00 H new ATOM 0 HE2 LYS A1001 9.427 13.120 -4.991 1.00 0.00 H new ATOM 0 HE3 LYS A1001 7.745 13.419 -5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 9.200 15.390 -5.591 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 7.905 15.629 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 9.467 15.352 -3.915 1.00 0.00 H new ATOM 1296 N MET A1002 4.769 14.786 0.471 1.00 0.00 N ATOM 1297 CA MET A1002 3.820 15.785 0.872 1.00 0.00 C ATOM 1298 C MET A1002 4.364 16.525 2.069 1.00 0.00 C ATOM 1299 O MET A1002 4.084 17.699 2.257 1.00 0.00 O ATOM 1300 CB MET A1002 2.468 15.182 1.213 1.00 0.00 C ATOM 1301 CG MET A1002 1.532 16.203 1.821 1.00 0.00 C ATOM 1302 SD MET A1002 1.306 17.652 0.770 1.00 0.00 S ATOM 1303 CE MET A1002 0.517 16.939 -0.665 1.00 0.00 C ATOM 0 H MET A1002 4.540 13.837 0.767 1.00 0.00 H new ATOM 0 HA MET A1002 3.671 16.468 0.035 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.017 14.768 0.311 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.605 14.355 1.909 1.00 0.00 H new ATOM 0 HG2 MET A1002 0.564 15.738 2.005 1.00 0.00 H new ATOM 0 HG3 MET A1002 1.923 16.518 2.788 1.00 0.00 H new ATOM 0 HE1 MET A1002 1.069 17.221 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A1002 0.506 15.853 -0.572 1.00 0.00 H new ATOM 0 HE3 MET A1002 -0.506 17.308 -0.738 1.00 0.00 H new ATOM 1313 N LYS A1003 5.144 15.830 2.887 1.00 0.00 N ATOM 1314 CA LYS A1003 5.846 16.500 3.954 1.00 0.00 C ATOM 1315 C LYS A1003 6.727 17.568 3.339 1.00 0.00 C ATOM 1316 O LYS A1003 6.695 18.705 3.768 1.00 0.00 O ATOM 1317 CB LYS A1003 6.678 15.531 4.797 1.00 0.00 C ATOM 1318 CG LYS A1003 7.286 16.180 6.027 1.00 0.00 C ATOM 1319 CD LYS A1003 7.917 15.161 6.960 1.00 0.00 C ATOM 1320 CE LYS A1003 8.365 15.814 8.255 1.00 0.00 C ATOM 1321 NZ LYS A1003 8.979 14.840 9.193 1.00 0.00 N ATOM 0 H LYS A1003 5.300 14.824 2.829 1.00 0.00 H new ATOM 0 HA LYS A1003 5.119 16.947 4.632 1.00 0.00 H new ATOM 0 HB2 LYS A1003 6.049 14.697 5.108 1.00 0.00 H new ATOM 0 HB3 LYS A1003 7.476 15.116 4.181 1.00 0.00 H new ATOM 0 HG2 LYS A1003 8.040 16.904 5.719 1.00 0.00 H new ATOM 0 HG3 LYS A1003 6.514 16.732 6.563 1.00 0.00 H new ATOM 0 HD2 LYS A1003 7.201 14.369 7.177 1.00 0.00 H new ATOM 0 HD3 LYS A1003 8.771 14.693 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A1003 9.083 16.603 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A1003 7.509 16.288 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 9.269 15.331 10.063 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 8.287 14.100 9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 9.812 14.406 8.746 1.00 0.00 H new ATOM 1335 N LEU A1004 7.497 17.192 2.319 1.00 0.00 N ATOM 1336 CA LEU A1004 8.281 18.150 1.544 1.00 0.00 C ATOM 1337 C LEU A1004 7.413 19.196 0.840 1.00 0.00 C ATOM 1338 O LEU A1004 7.806 20.352 0.743 1.00 0.00 O ATOM 1339 CB LEU A1004 9.162 17.430 0.520 1.00 0.00 C ATOM 1340 CG LEU A1004 10.512 16.947 1.047 1.00 0.00 C ATOM 1341 CD1 LEU A1004 11.311 16.292 -0.067 1.00 0.00 C ATOM 1342 CD2 LEU A1004 11.292 18.101 1.659 1.00 0.00 C ATOM 0 H LEU A1004 7.594 16.225 2.010 1.00 0.00 H new ATOM 0 HA LEU A1004 8.912 18.679 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A1004 8.613 16.572 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A1004 9.338 18.102 -0.320 1.00 0.00 H new ATOM 0 HG LEU A1004 10.334 16.206 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A1004 12.270 15.953 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A1004 10.757 15.439 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A1004 11.480 17.013 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A1004 12.251 17.737 2.029 1.00 0.00 H new ATOM 0 HD22 LEU A1004 11.462 18.867 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A1004 10.723 18.527 2.485 1.00 0.00 H new ATOM 1354 N ALA A1005 6.249 18.803 0.342 1.00 0.00 N ATOM 1355 CA ALA A1005 5.352 19.752 -0.318 1.00 0.00 C ATOM 1356 C ALA A1005 4.798 20.754 0.684 1.00 0.00 C ATOM 1357 O ALA A1005 4.781 21.962 0.441 1.00 0.00 O ATOM 1358 CB ALA A1005 4.222 19.022 -1.027 1.00 0.00 C ATOM 0 H ALA A1005 5.903 17.844 0.379 1.00 0.00 H new ATOM 0 HA ALA A1005 5.926 20.298 -1.066 1.00 0.00 H new ATOM 0 HB1 ALA A1005 3.567 19.747 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.638 18.350 -1.778 1.00 0.00 H new ATOM 0 HB3 ALA A1005 3.650 18.444 -0.301 1.00 0.00 H new ATOM 1364 N GLN A1006 4.379 20.244 1.826 1.00 0.00 N ATOM 1365 CA GLN A1006 3.900 21.075 2.911 1.00 0.00 C ATOM 1366 C GLN A1006 5.100 21.757 3.572 1.00 0.00 C ATOM 1367 O GLN A1006 4.955 22.657 4.395 1.00 0.00 O ATOM 1368 CB GLN A1006 3.092 20.212 3.903 1.00 0.00 C ATOM 1369 CG GLN A1006 3.897 19.574 5.030 1.00 0.00 C ATOM 1370 CD GLN A1006 3.887 20.395 6.308 1.00 0.00 C ATOM 1371 OE1 GLN A1006 2.797 21.107 6.545 1.00 0.00 O flip ATOM 1372 NE2 GLN A1006 4.842 20.375 7.084 1.00 0.00 N flip ATOM 0 H GLN A1006 4.361 19.244 2.027 1.00 0.00 H new ATOM 0 HA GLN A1006 3.231 21.853 2.543 1.00 0.00 H new ATOM 0 HB2 GLN A1006 2.312 20.832 4.344 1.00 0.00 H new ATOM 0 HB3 GLN A1006 2.592 19.420 3.345 1.00 0.00 H new ATOM 0 HG2 GLN A1006 3.495 18.582 5.239 1.00 0.00 H new ATOM 0 HG3 GLN A1006 4.927 19.438 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A1006 5.665 19.813 6.866 1.00 0.00 H new ATOM 0 HE22 GLN A1006 4.811 20.920 7.946 1.00 0.00 H new ATOM 1381 N GLN A1007 6.289 21.312 3.179 1.00 0.00 N ATOM 1382 CA GLN A1007 7.534 21.892 3.620 1.00 0.00 C ATOM 1383 C GLN A1007 7.969 22.980 2.644 1.00 0.00 C ATOM 1384 O GLN A1007 8.886 23.757 2.914 1.00 0.00 O ATOM 1385 CB GLN A1007 8.586 20.783 3.701 1.00 0.00 C ATOM 1386 CG GLN A1007 9.396 20.777 4.981 1.00 0.00 C ATOM 1387 CD GLN A1007 8.524 20.635 6.216 1.00 0.00 C ATOM 1388 OE1 GLN A1007 7.374 19.978 6.074 1.00 0.00 O flip ATOM 1389 NE2 GLN A1007 8.875 21.122 7.290 1.00 0.00 N flip ATOM 0 H GLN A1007 6.407 20.528 2.537 1.00 0.00 H new ATOM 0 HA GLN A1007 7.413 22.347 4.603 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.088 19.819 3.597 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.267 20.883 2.856 1.00 0.00 H new ATOM 0 HG2 GLN A1007 10.114 19.957 4.950 1.00 0.00 H new ATOM 0 HG3 GLN A1007 9.970 21.701 5.049 1.00 0.00 H new ATOM 0 HE21 GLN A1007 9.763 21.618 7.359 1.00 0.00 H new ATOM 0 HE22 GLN A1007 8.278 21.029 8.111 1.00 0.00 H new ATOM 1398 N TYR A1008 7.281 23.032 1.515 1.00 0.00 N ATOM 1399 CA TYR A1008 7.592 23.966 0.446 1.00 0.00 C ATOM 1400 C TYR A1008 6.356 24.798 0.130 1.00 0.00 C ATOM 1401 O TYR A1008 6.290 25.486 -0.888 1.00 0.00 O ATOM 1402 CB TYR A1008 8.038 23.173 -0.782 1.00 0.00 C ATOM 1403 CG TYR A1008 8.699 23.975 -1.880 1.00 0.00 C ATOM 1404 CD1 TYR A1008 9.871 24.678 -1.643 1.00 0.00 C ATOM 1405 CD2 TYR A1008 8.168 23.996 -3.166 1.00 0.00 C ATOM 1406 CE1 TYR A1008 10.494 25.388 -2.650 1.00 0.00 C ATOM 1407 CE2 TYR A1008 8.789 24.699 -4.182 1.00 0.00 C ATOM 1408 CZ TYR A1008 9.952 25.391 -3.917 1.00 0.00 C ATOM 1409 OH TYR A1008 10.583 26.085 -4.922 1.00 0.00 O ATOM 0 H TYR A1008 6.487 22.424 1.314 1.00 0.00 H new ATOM 0 HA TYR A1008 8.395 24.639 0.747 1.00 0.00 H new ATOM 0 HB2 TYR A1008 8.731 22.397 -0.458 1.00 0.00 H new ATOM 0 HB3 TYR A1008 7.167 22.668 -1.201 1.00 0.00 H new ATOM 0 HD1 TYR A1008 10.304 24.670 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR A1008 7.257 23.455 -3.374 1.00 0.00 H new ATOM 0 HE1 TYR A1008 11.401 25.938 -2.446 1.00 0.00 H new ATOM 0 HE2 TYR A1008 8.366 24.706 -5.176 1.00 0.00 H new ATOM 0 HH TYR A1008 10.076 25.987 -5.755 1.00 0.00 H new ATOM 1496 N GLN A1014 4.066 25.802 -4.211 1.00 0.00 N ATOM 1497 CA GLN A1014 3.678 24.619 -3.456 1.00 0.00 C ATOM 1498 C GLN A1014 3.218 23.523 -4.410 1.00 0.00 C ATOM 1499 O GLN A1014 3.531 22.349 -4.225 1.00 0.00 O ATOM 1500 CB GLN A1014 2.558 24.985 -2.472 1.00 0.00 C ATOM 1501 CG GLN A1014 2.267 23.935 -1.407 1.00 0.00 C ATOM 1502 CD GLN A1014 1.186 22.957 -1.814 1.00 0.00 C ATOM 1503 OE1 GLN A1014 1.580 21.850 -2.410 1.00 0.00 O flip ATOM 1504 NE2 GLN A1014 0.004 23.191 -1.583 1.00 0.00 N flip ATOM 0 HA GLN A1014 4.534 24.248 -2.893 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.821 25.920 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.645 25.170 -3.037 1.00 0.00 H new ATOM 0 HG2 GLN A1014 3.182 23.385 -1.189 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.968 24.435 -0.486 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -0.263 24.060 -1.119 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -0.712 22.517 -1.854 1.00 0.00 H new ATOM 1513 N GLN A1015 2.507 23.929 -5.454 1.00 0.00 N ATOM 1514 CA GLN A1015 1.926 22.987 -6.400 1.00 0.00 C ATOM 1515 C GLN A1015 2.997 22.260 -7.204 1.00 0.00 C ATOM 1516 O GLN A1015 2.783 21.128 -7.627 1.00 0.00 O ATOM 1517 CB GLN A1015 0.933 23.687 -7.322 1.00 0.00 C ATOM 1518 CG GLN A1015 -0.392 23.993 -6.643 1.00 0.00 C ATOM 1519 CD GLN A1015 -1.419 24.575 -7.591 1.00 0.00 C ATOM 1520 OE1 GLN A1015 -1.544 25.793 -7.725 1.00 0.00 O ATOM 1521 NE2 GLN A1015 -2.149 23.704 -8.273 1.00 0.00 N ATOM 0 H GLN A1015 2.319 24.909 -5.667 1.00 0.00 H new ATOM 0 HA GLN A1015 1.387 22.235 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A1015 1.373 24.616 -7.683 1.00 0.00 H new ATOM 0 HB3 GLN A1015 0.752 23.060 -8.195 1.00 0.00 H new ATOM 0 HG2 GLN A1015 -0.789 23.078 -6.203 1.00 0.00 H new ATOM 0 HG3 GLN A1015 -0.222 24.693 -5.825 1.00 0.00 H new ATOM 0 HE21 GLN A1015 -2.013 22.703 -8.131 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -2.847 24.035 -8.940 1.00 0.00 H new ATOM 1530 N GLU A1016 4.128 22.917 -7.448 1.00 0.00 N ATOM 1531 CA GLU A1016 5.291 22.225 -8.007 1.00 0.00 C ATOM 1532 C GLU A1016 5.605 20.961 -7.204 1.00 0.00 C ATOM 1533 O GLU A1016 5.789 19.881 -7.771 1.00 0.00 O ATOM 1534 CB GLU A1016 6.523 23.131 -8.029 1.00 0.00 C ATOM 1535 CG GLU A1016 7.746 22.448 -8.629 1.00 0.00 C ATOM 1536 CD GLU A1016 8.981 23.320 -8.649 1.00 0.00 C ATOM 1537 OE1 GLU A1016 9.102 24.170 -9.560 1.00 0.00 O ATOM 1538 OE2 GLU A1016 9.860 23.133 -7.787 1.00 0.00 O ATOM 0 H GLU A1016 4.266 23.912 -7.272 1.00 0.00 H new ATOM 0 HA GLU A1016 5.042 21.951 -9.032 1.00 0.00 H new ATOM 0 HB2 GLU A1016 6.297 24.030 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A1016 6.752 23.450 -7.012 1.00 0.00 H new ATOM 0 HG2 GLU A1016 7.961 21.543 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A1016 7.515 22.138 -9.648 1.00 0.00 H new ATOM 1545 N TYR A1017 5.633 21.093 -5.883 1.00 0.00 N ATOM 1546 CA TYR A1017 5.889 19.954 -5.011 1.00 0.00 C ATOM 1547 C TYR A1017 4.640 19.079 -4.880 1.00 0.00 C ATOM 1548 O TYR A1017 4.734 17.883 -4.605 1.00 0.00 O ATOM 1549 CB TYR A1017 6.365 20.422 -3.628 1.00 0.00 C ATOM 1550 CG TYR A1017 7.873 20.517 -3.498 1.00 0.00 C ATOM 1551 CD1 TYR A1017 8.667 20.750 -4.614 1.00 0.00 C ATOM 1552 CD2 TYR A1017 8.505 20.374 -2.261 1.00 0.00 C ATOM 1553 CE1 TYR A1017 10.042 20.832 -4.511 1.00 0.00 C ATOM 1554 CE2 TYR A1017 9.883 20.456 -2.154 1.00 0.00 C ATOM 1555 CZ TYR A1017 10.645 20.685 -3.281 1.00 0.00 C ATOM 1556 OH TYR A1017 12.017 20.767 -3.177 1.00 0.00 O ATOM 0 H TYR A1017 5.482 21.975 -5.394 1.00 0.00 H new ATOM 0 HA TYR A1017 6.681 19.356 -5.462 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.929 21.398 -3.416 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.987 19.733 -2.872 1.00 0.00 H new ATOM 0 HD1 TYR A1017 8.200 20.869 -5.581 1.00 0.00 H new ATOM 0 HD2 TYR A1017 7.911 20.197 -1.376 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.642 21.011 -5.391 1.00 0.00 H new ATOM 0 HE2 TYR A1017 10.360 20.341 -1.192 1.00 0.00 H new ATOM 0 HH TYR A1017 12.282 20.643 -2.242 1.00 0.00 H new ATOM 1566 N LYS A1018 3.476 19.681 -5.094 1.00 0.00 N ATOM 1567 CA LYS A1018 2.205 18.964 -5.018 1.00 0.00 C ATOM 1568 C LYS A1018 2.034 18.035 -6.221 1.00 0.00 C ATOM 1569 O LYS A1018 1.511 16.929 -6.091 1.00 0.00 O ATOM 1570 CB LYS A1018 1.045 19.961 -4.936 1.00 0.00 C ATOM 1571 CG LYS A1018 -0.310 19.331 -4.647 1.00 0.00 C ATOM 1572 CD LYS A1018 -1.359 20.394 -4.349 1.00 0.00 C ATOM 1573 CE LYS A1018 -2.724 19.782 -4.067 1.00 0.00 C ATOM 1574 NZ LYS A1018 -3.731 20.818 -3.706 1.00 0.00 N ATOM 0 H LYS A1018 3.384 20.671 -5.323 1.00 0.00 H new ATOM 0 HA LYS A1018 2.204 18.351 -4.117 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.265 20.692 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A1018 0.984 20.507 -5.878 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -0.626 18.734 -5.502 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -0.225 18.652 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -1.042 20.986 -3.490 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -1.435 21.076 -5.196 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -3.065 19.234 -4.945 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -2.638 19.060 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -4.687 20.421 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -3.580 21.122 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -3.630 21.636 -4.340 1.00 0.00 H new ATOM 1588 N LYS A1019 2.487 18.484 -7.385 1.00 0.00 N ATOM 1589 CA LYS A1019 2.470 17.654 -8.584 1.00 0.00 C ATOM 1590 C LYS A1019 3.437 16.488 -8.415 1.00 0.00 C ATOM 1591 O LYS A1019 3.084 15.337 -8.667 1.00 0.00 O ATOM 1592 CB LYS A1019 2.840 18.480 -9.819 1.00 0.00 C ATOM 1593 CG LYS A1019 2.866 17.669 -11.104 1.00 0.00 C ATOM 1594 CD LYS A1019 3.142 18.541 -12.318 1.00 0.00 C ATOM 1595 CE LYS A1019 1.991 19.499 -12.594 1.00 0.00 C ATOM 1596 NZ LYS A1019 2.242 20.320 -13.806 1.00 0.00 N ATOM 0 H LYS A1019 2.871 19.419 -7.525 1.00 0.00 H new ATOM 0 HA LYS A1019 1.462 17.264 -8.728 1.00 0.00 H new ATOM 0 HB2 LYS A1019 2.126 19.296 -9.928 1.00 0.00 H new ATOM 0 HB3 LYS A1019 3.820 18.932 -9.664 1.00 0.00 H new ATOM 0 HG2 LYS A1019 3.631 16.896 -11.030 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.911 17.160 -11.232 1.00 0.00 H new ATOM 0 HD2 LYS A1019 4.058 19.109 -12.158 1.00 0.00 H new ATOM 0 HD3 LYS A1019 3.307 17.909 -13.191 1.00 0.00 H new ATOM 0 HE2 LYS A1019 1.068 18.933 -12.722 1.00 0.00 H new ATOM 0 HE3 LYS A1019 1.847 20.153 -11.734 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 1.438 20.961 -13.964 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 3.109 20.879 -13.673 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 2.355 19.696 -14.631 1.00 0.00 H new ATOM 1610 N GLN A1020 4.668 16.805 -8.025 1.00 0.00 N ATOM 1611 CA GLN A1020 5.636 15.788 -7.616 1.00 0.00 C ATOM 1612 C GLN A1020 5.011 14.786 -6.646 1.00 0.00 C ATOM 1613 O GLN A1020 5.252 13.584 -6.738 1.00 0.00 O ATOM 1614 CB GLN A1020 6.850 16.439 -6.959 1.00 0.00 C ATOM 1615 CG GLN A1020 7.638 17.340 -7.890 1.00 0.00 C ATOM 1616 CD GLN A1020 8.835 17.966 -7.207 1.00 0.00 C ATOM 1617 OE1 GLN A1020 9.415 17.386 -6.287 1.00 0.00 O ATOM 1618 NE2 GLN A1020 9.207 19.155 -7.647 1.00 0.00 N ATOM 0 H GLN A1020 5.021 17.761 -7.983 1.00 0.00 H new ATOM 0 HA GLN A1020 5.951 15.255 -8.513 1.00 0.00 H new ATOM 0 HB2 GLN A1020 6.518 17.021 -6.099 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.509 15.658 -6.580 1.00 0.00 H new ATOM 0 HG2 GLN A1020 7.975 16.763 -8.751 1.00 0.00 H new ATOM 0 HG3 GLN A1020 6.986 18.127 -8.269 1.00 0.00 H new ATOM 0 HE21 GLN A1020 8.698 19.598 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A1020 10.004 19.630 -7.222 1.00 0.00 H new ATOM 1627 N MET A1021 4.206 15.293 -5.720 1.00 0.00 N ATOM 1628 CA MET A1021 3.495 14.449 -4.769 1.00 0.00 C ATOM 1629 C MET A1021 2.548 13.504 -5.500 1.00 0.00 C ATOM 1630 O MET A1021 2.482 12.327 -5.177 1.00 0.00 O ATOM 1631 CB MET A1021 2.732 15.318 -3.760 1.00 0.00 C ATOM 1632 CG MET A1021 1.959 14.540 -2.699 1.00 0.00 C ATOM 1633 SD MET A1021 0.370 13.901 -3.281 1.00 0.00 S ATOM 1634 CE MET A1021 -0.455 15.413 -3.777 1.00 0.00 C ATOM 0 H MET A1021 4.029 16.291 -5.608 1.00 0.00 H new ATOM 0 HA MET A1021 4.220 13.845 -4.223 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.442 15.978 -3.261 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.034 15.954 -4.305 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.571 13.707 -2.354 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.787 15.187 -1.839 1.00 0.00 H new ATOM 0 HE1 MET A1021 -1.495 15.383 -3.453 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.044 16.267 -3.319 1.00 0.00 H new ATOM 0 HE3 MET A1021 -0.416 15.510 -4.862 1.00 0.00 H new ATOM 1644 N LEU A1022 1.836 14.023 -6.495 1.00 0.00 N ATOM 1645 CA LEU A1022 0.916 13.212 -7.292 1.00 0.00 C ATOM 1646 C LEU A1022 1.643 12.039 -7.946 1.00 0.00 C ATOM 1647 O LEU A1022 1.139 10.916 -7.962 1.00 0.00 O ATOM 1648 CB LEU A1022 0.245 14.068 -8.372 1.00 0.00 C ATOM 1649 CG LEU A1022 -0.661 15.185 -7.852 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -1.184 16.027 -9.005 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -1.813 14.600 -7.052 1.00 0.00 C ATOM 0 H LEU A1022 1.877 15.004 -6.771 1.00 0.00 H new ATOM 0 HA LEU A1022 0.153 12.818 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.022 14.513 -8.994 1.00 0.00 H new ATOM 0 HB3 LEU A1022 -0.344 13.415 -9.016 1.00 0.00 H new ATOM 0 HG LEU A1022 -0.076 15.829 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -1.827 16.817 -8.616 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -0.345 16.472 -9.540 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -1.755 15.396 -9.686 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -2.450 15.406 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -2.397 13.935 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -1.419 14.038 -6.205 1.00 0.00 H new ATOM 1663 N THR A1023 2.836 12.302 -8.465 1.00 0.00 N ATOM 1664 CA THR A1023 3.639 11.267 -9.102 1.00 0.00 C ATOM 1665 C THR A1023 4.024 10.186 -8.089 1.00 0.00 C ATOM 1666 O THR A1023 4.033 8.995 -8.403 1.00 0.00 O ATOM 1667 CB THR A1023 4.910 11.875 -9.722 1.00 0.00 C ATOM 1668 OG1 THR A1023 4.563 13.041 -10.486 1.00 0.00 O ATOM 1669 CG2 THR A1023 5.620 10.870 -10.622 1.00 0.00 C ATOM 0 H THR A1023 3.269 13.225 -8.457 1.00 0.00 H new ATOM 0 HA THR A1023 3.042 10.813 -9.893 1.00 0.00 H new ATOM 0 HB THR A1023 5.587 12.148 -8.912 1.00 0.00 H new ATOM 0 HG1 THR A1023 5.373 13.428 -10.879 1.00 0.00 H new ATOM 0 HG21 THR A1023 6.514 11.328 -11.045 1.00 0.00 H new ATOM 0 HG22 THR A1023 5.903 9.995 -10.037 1.00 0.00 H new ATOM 0 HG23 THR A1023 4.951 10.567 -11.428 1.00 0.00 H new ATOM 1677 N ALA A1024 4.283 10.615 -6.861 1.00 0.00 N ATOM 1678 CA ALA A1024 4.670 9.699 -5.800 1.00 0.00 C ATOM 1679 C ALA A1024 3.441 8.980 -5.266 1.00 0.00 C ATOM 1680 O ALA A1024 3.491 7.803 -4.931 1.00 0.00 O ATOM 1681 CB ALA A1024 5.389 10.445 -4.686 1.00 0.00 C ATOM 0 H ALA A1024 4.232 11.593 -6.576 1.00 0.00 H new ATOM 0 HA ALA A1024 5.359 8.958 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.671 9.743 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A1024 6.284 10.921 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A1024 4.728 11.206 -4.272 1.00 0.00 H new ATOM 1687 N ALA A1025 2.329 9.703 -5.213 1.00 0.00 N ATOM 1688 CA ALA A1025 1.057 9.143 -4.780 1.00 0.00 C ATOM 1689 C ALA A1025 0.581 8.078 -5.755 1.00 0.00 C ATOM 1690 O ALA A1025 -0.084 7.117 -5.368 1.00 0.00 O ATOM 1691 CB ALA A1025 0.010 10.239 -4.647 1.00 0.00 C ATOM 0 H ALA A1025 2.284 10.690 -5.468 1.00 0.00 H new ATOM 0 HA ALA A1025 1.203 8.679 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -0.935 9.802 -4.323 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.342 10.972 -3.912 1.00 0.00 H new ATOM 0 HB3 ALA A1025 -0.129 10.729 -5.611 1.00 0.00 H new ATOM 1697 N HIS A1026 0.917 8.256 -7.026 1.00 0.00 N ATOM 1698 CA HIS A1026 0.575 7.271 -8.034 1.00 0.00 C ATOM 1699 C HIS A1026 1.437 6.034 -7.868 1.00 0.00 C ATOM 1700 O HIS A1026 0.933 4.916 -7.897 1.00 0.00 O ATOM 1701 CB HIS A1026 0.732 7.844 -9.451 1.00 0.00 C ATOM 1702 CG HIS A1026 0.417 6.858 -10.543 1.00 0.00 C ATOM 1703 ND1 HIS A1026 -0.845 6.699 -11.071 1.00 0.00 N ATOM 1704 CD2 HIS A1026 1.208 5.968 -11.193 1.00 0.00 C ATOM 1705 CE1 HIS A1026 -0.818 5.754 -11.994 1.00 0.00 C ATOM 1706 NE2 HIS A1026 0.414 5.294 -12.088 1.00 0.00 N ATOM 0 H HIS A1026 1.423 9.069 -7.378 1.00 0.00 H new ATOM 0 HA HIS A1026 -0.471 6.998 -7.898 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.079 8.710 -9.557 1.00 0.00 H new ATOM 0 HB3 HIS A1026 1.755 8.198 -9.578 1.00 0.00 H new ATOM 0 HD2 HIS A1026 2.266 5.817 -11.036 1.00 0.00 H new ATOM 0 HE1 HIS A1026 -1.663 5.415 -12.574 1.00 0.00 H new ATOM 0 HE2 HIS A1026 0.726 4.558 -12.722 1.00 0.00 H new ATOM 1715 N ALA A1027 2.734 6.243 -7.694 1.00 0.00 N ATOM 1716 CA ALA A1027 3.661 5.143 -7.472 1.00 0.00 C ATOM 1717 C ALA A1027 3.299 4.408 -6.186 1.00 0.00 C ATOM 1718 O ALA A1027 3.384 3.185 -6.109 1.00 0.00 O ATOM 1719 CB ALA A1027 5.085 5.664 -7.420 1.00 0.00 C ATOM 0 H ALA A1027 3.169 7.166 -7.702 1.00 0.00 H new ATOM 0 HA ALA A1027 3.588 4.438 -8.300 1.00 0.00 H new ATOM 0 HB1 ALA A1027 5.771 4.833 -7.254 1.00 0.00 H new ATOM 0 HB2 ALA A1027 5.329 6.152 -8.364 1.00 0.00 H new ATOM 0 HB3 ALA A1027 5.180 6.382 -6.605 1.00 0.00 H new ATOM 1725 N LEU A1028 2.882 5.179 -5.193 1.00 0.00 N ATOM 1726 CA LEU A1028 2.354 4.640 -3.947 1.00 0.00 C ATOM 1727 C LEU A1028 1.146 3.761 -4.216 1.00 0.00 C ATOM 1728 O LEU A1028 1.059 2.630 -3.760 1.00 0.00 O ATOM 1729 CB LEU A1028 1.965 5.794 -3.026 1.00 0.00 C ATOM 1730 CG LEU A1028 1.172 5.406 -1.775 1.00 0.00 C ATOM 1731 CD1 LEU A1028 1.729 6.126 -0.564 1.00 0.00 C ATOM 1732 CD2 LEU A1028 -0.299 5.751 -1.952 1.00 0.00 C ATOM 0 H LEU A1028 2.900 6.198 -5.228 1.00 0.00 H new ATOM 0 HA LEU A1028 3.121 4.031 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A1028 2.874 6.307 -2.713 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.376 6.510 -3.600 1.00 0.00 H new ATOM 0 HG LEU A1028 1.264 4.330 -1.624 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.159 5.844 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A1028 2.774 5.850 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A1028 1.655 7.203 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -0.849 5.469 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -0.404 6.823 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -0.699 5.209 -2.808 1.00 0.00 H new ATOM 1744 N ALA A1029 0.200 4.301 -4.951 1.00 0.00 N ATOM 1745 CA ALA A1029 -0.962 3.525 -5.341 1.00 0.00 C ATOM 1746 C ALA A1029 -0.540 2.248 -6.070 1.00 0.00 C ATOM 1747 O ALA A1029 -1.184 1.207 -5.940 1.00 0.00 O ATOM 1748 CB ALA A1029 -1.901 4.349 -6.202 1.00 0.00 C ATOM 0 H ALA A1029 0.208 5.263 -5.289 1.00 0.00 H new ATOM 0 HA ALA A1029 -1.497 3.241 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -2.764 3.744 -6.481 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -2.236 5.222 -5.642 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -1.379 4.673 -7.102 1.00 0.00 H new ATOM 1754 N VAL A1030 0.542 2.335 -6.842 1.00 0.00 N ATOM 1755 CA VAL A1030 1.126 1.164 -7.493 1.00 0.00 C ATOM 1756 C VAL A1030 1.711 0.174 -6.478 1.00 0.00 C ATOM 1757 O VAL A1030 1.646 -1.037 -6.694 1.00 0.00 O ATOM 1758 CB VAL A1030 2.223 1.565 -8.509 1.00 0.00 C ATOM 1759 CG1 VAL A1030 2.865 0.333 -9.133 1.00 0.00 C ATOM 1760 CG2 VAL A1030 1.649 2.460 -9.593 1.00 0.00 C ATOM 0 H VAL A1030 1.034 3.208 -7.032 1.00 0.00 H new ATOM 0 HA VAL A1030 0.311 0.674 -8.025 1.00 0.00 H new ATOM 0 HB VAL A1030 2.992 2.118 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL A1030 3.632 0.642 -9.843 1.00 0.00 H new ATOM 0 HG12 VAL A1030 3.319 -0.276 -8.351 1.00 0.00 H new ATOM 0 HG13 VAL A1030 2.104 -0.250 -9.652 1.00 0.00 H new ATOM 0 HG21 VAL A1030 2.436 2.730 -10.297 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.857 1.929 -10.121 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.241 3.364 -9.140 1.00 0.00 H new ATOM 1770 N ASP A1031 2.256 0.670 -5.367 1.00 0.00 N ATOM 1771 CA ASP A1031 2.837 -0.231 -4.373 1.00 0.00 C ATOM 1772 C ASP A1031 1.716 -0.973 -3.658 1.00 0.00 C ATOM 1773 O ASP A1031 1.783 -2.194 -3.476 1.00 0.00 O ATOM 1774 CB ASP A1031 3.808 0.472 -3.386 1.00 0.00 C ATOM 1775 CG ASP A1031 3.177 1.411 -2.361 1.00 0.00 C ATOM 1776 OD1 ASP A1031 2.337 0.963 -1.556 1.00 0.00 O ATOM 1777 OD2 ASP A1031 3.573 2.591 -2.326 1.00 0.00 O ATOM 0 H ASP A1031 2.307 1.662 -5.136 1.00 0.00 H new ATOM 0 HA ASP A1031 3.465 -0.950 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.363 -0.297 -2.848 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.533 1.040 -3.968 1.00 0.00 H new ATOM 1782 N ALA A1032 0.654 -0.243 -3.335 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.567 -0.836 -2.814 1.00 0.00 C ATOM 1784 C ALA A1032 -1.086 -1.894 -3.779 1.00 0.00 C ATOM 1785 O ALA A1032 -1.360 -3.031 -3.402 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.620 0.245 -2.633 1.00 0.00 C ATOM 0 H ALA A1032 0.617 0.772 -3.427 1.00 0.00 H new ATOM 0 HA ALA A1032 -0.354 -1.303 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -2.535 -0.200 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -1.254 0.996 -1.933 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.827 0.716 -3.594 1.00 0.00 H new ATOM 1792 N LYS A1033 -1.186 -1.499 -5.039 1.00 0.00 N ATOM 1793 CA LYS A1033 -1.779 -2.332 -6.072 1.00 0.00 C ATOM 1794 C LYS A1033 -0.943 -3.580 -6.351 1.00 0.00 C ATOM 1795 O LYS A1033 -1.488 -4.653 -6.593 1.00 0.00 O ATOM 1796 CB LYS A1033 -1.944 -1.522 -7.358 1.00 0.00 C ATOM 1797 CG LYS A1033 -3.121 -1.962 -8.211 1.00 0.00 C ATOM 1798 CD LYS A1033 -4.440 -1.664 -7.517 1.00 0.00 C ATOM 1799 CE LYS A1033 -5.631 -2.103 -8.355 1.00 0.00 C ATOM 1800 NZ LYS A1033 -5.637 -1.464 -9.698 1.00 0.00 N ATOM 0 H LYS A1033 -0.858 -0.593 -5.373 1.00 0.00 H new ATOM 0 HA LYS A1033 -2.754 -2.661 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -2.067 -0.470 -7.101 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -1.030 -1.602 -7.947 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -3.089 -1.450 -9.173 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -3.047 -3.030 -8.415 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -4.467 -2.172 -6.553 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -4.511 -0.595 -7.316 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -5.613 -3.187 -8.470 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -6.554 -1.853 -7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -6.568 -1.597 -10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -5.442 -0.447 -9.599 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -4.905 -1.901 -10.293 1.00 0.00 H new ATOM 1814 N ASN A1034 0.378 -3.449 -6.308 1.00 0.00 N ATOM 1815 CA ASN A1034 1.249 -4.565 -6.669 1.00 0.00 C ATOM 1816 C ASN A1034 1.299 -5.612 -5.563 1.00 0.00 C ATOM 1817 O ASN A1034 1.356 -6.807 -5.845 1.00 0.00 O ATOM 1818 CB ASN A1034 2.664 -4.092 -7.006 1.00 0.00 C ATOM 1819 CG ASN A1034 3.437 -5.131 -7.804 1.00 0.00 C ATOM 1820 OD1 ASN A1034 2.856 -5.891 -8.580 1.00 0.00 O ATOM 1821 ND2 ASN A1034 4.752 -5.168 -7.636 1.00 0.00 N ATOM 0 H ASN A1034 0.865 -2.596 -6.032 1.00 0.00 H new ATOM 0 HA ASN A1034 0.820 -5.022 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A1034 2.610 -3.164 -7.575 1.00 0.00 H new ATOM 0 HB3 ASN A1034 3.201 -3.870 -6.084 1.00 0.00 H new ATOM 0 HD21 ASN A1034 5.314 -5.840 -8.158 1.00 0.00 H new ATOM 0 HD22 ASN A1034 5.201 -4.524 -6.985 1.00 0.00 H new ATOM 1828 N LEU A1035 1.241 -5.177 -4.304 1.00 0.00 N ATOM 1829 CA LEU A1035 1.242 -6.125 -3.190 1.00 0.00 C ATOM 1830 C LEU A1035 -0.153 -6.723 -3.074 1.00 0.00 C ATOM 1831 O LEU A1035 -0.304 -7.857 -2.670 1.00 0.00 O ATOM 1832 CB LEU A1035 1.644 -5.465 -1.859 1.00 0.00 C ATOM 1833 CG LEU A1035 1.790 -6.442 -0.685 1.00 0.00 C ATOM 1834 CD1 LEU A1035 3.197 -7.011 -0.628 1.00 0.00 C ATOM 1835 CD2 LEU A1035 1.433 -5.777 0.627 1.00 0.00 C ATOM 0 H LEU A1035 1.194 -4.195 -4.033 1.00 0.00 H new ATOM 0 HA LEU A1035 1.983 -6.898 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.589 -4.940 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A1035 0.898 -4.714 -1.600 1.00 0.00 H new ATOM 0 HG LEU A1035 1.093 -7.264 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A1035 3.277 -7.701 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A1035 3.413 -7.542 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A1035 3.913 -6.199 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.546 -6.494 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.095 -4.928 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.400 -5.430 0.590 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.159 -5.940 -3.459 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.544 -6.402 -3.573 1.00 0.00 C ATOM 1849 C LEU A1036 -2.583 -7.697 -4.357 1.00 0.00 C ATOM 1850 O LEU A1036 -3.287 -8.638 -4.011 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.377 -5.304 -4.262 1.00 0.00 C ATOM 1852 CG LEU A1036 -4.832 -5.639 -4.622 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -5.646 -4.360 -4.705 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -4.908 -6.375 -5.953 1.00 0.00 C ATOM 0 H LEU A1036 -1.036 -4.957 -3.703 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.966 -6.594 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -3.384 -4.429 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -2.862 -5.016 -5.178 1.00 0.00 H new ATOM 0 HG LEU A1036 -5.237 -6.286 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -6.678 -4.601 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -5.621 -3.849 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.225 -3.710 -5.472 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -5.949 -6.601 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -4.488 -5.748 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -4.341 -7.304 -5.888 1.00 0.00 H new ATOM 1866 N ASP A1037 -1.790 -7.717 -5.401 1.00 0.00 N ATOM 1867 CA ASP A1037 -1.601 -8.905 -6.209 1.00 0.00 C ATOM 1868 C ASP A1037 -0.702 -9.874 -5.468 1.00 0.00 C ATOM 1869 O ASP A1037 -1.009 -11.047 -5.354 1.00 0.00 O ATOM 1870 CB ASP A1037 -0.983 -8.567 -7.566 1.00 0.00 C ATOM 1871 CG ASP A1037 -1.926 -7.807 -8.473 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -3.001 -8.350 -8.805 1.00 0.00 O ATOM 1873 OD2 ASP A1037 -1.580 -6.679 -8.887 1.00 0.00 O ATOM 0 H ASP A1037 -1.254 -6.909 -5.718 1.00 0.00 H new ATOM 0 HA ASP A1037 -2.577 -9.357 -6.388 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -0.081 -7.975 -7.411 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.678 -9.490 -8.060 1.00 0.00 H new ATOM 1878 N VAL A1038 0.395 -9.345 -4.935 1.00 0.00 N ATOM 1879 CA VAL A1038 1.382 -10.125 -4.185 1.00 0.00 C ATOM 1880 C VAL A1038 0.755 -11.026 -3.133 1.00 0.00 C ATOM 1881 O VAL A1038 0.956 -12.228 -3.145 1.00 0.00 O ATOM 1882 CB VAL A1038 2.375 -9.191 -3.467 1.00 0.00 C ATOM 1883 CG1 VAL A1038 3.120 -9.919 -2.360 1.00 0.00 C ATOM 1884 CG2 VAL A1038 3.347 -8.586 -4.456 1.00 0.00 C ATOM 0 H VAL A1038 0.629 -8.355 -5.010 1.00 0.00 H new ATOM 0 HA VAL A1038 1.887 -10.749 -4.923 1.00 0.00 H new ATOM 0 HB VAL A1038 1.802 -8.386 -3.007 1.00 0.00 H new ATOM 0 HG11 VAL A1038 3.812 -9.231 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.406 -10.294 -1.627 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.677 -10.754 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A1038 4.040 -7.930 -3.930 1.00 0.00 H new ATOM 0 HG22 VAL A1038 3.905 -9.381 -4.951 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.797 -8.011 -5.201 1.00 0.00 H new ATOM 1894 N ILE A1039 0.033 -10.416 -2.212 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.515 -11.117 -1.056 1.00 0.00 C ATOM 1896 C ILE A1039 -1.838 -11.826 -1.359 1.00 0.00 C ATOM 1897 O ILE A1039 -2.151 -12.847 -0.741 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.647 -10.198 0.192 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -1.148 -8.790 -0.150 1.00 0.00 C ATOM 1900 CG2 ILE A1039 0.696 -10.094 0.889 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -2.513 -8.734 -0.783 1.00 0.00 C ATOM 0 H ILE A1039 -0.192 -9.422 -2.240 1.00 0.00 H new ATOM 0 HA ILE A1039 0.214 -11.891 -0.817 1.00 0.00 H new ATOM 0 HB ILE A1039 -1.390 -10.655 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.163 -8.195 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -0.432 -8.320 -0.825 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.603 -9.450 1.763 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.021 -11.086 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A1039 1.430 -9.671 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -2.777 -7.696 -0.987 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -2.504 -9.296 -1.717 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -3.247 -9.169 -0.104 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.628 -11.292 -2.281 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.734 -12.067 -2.830 1.00 0.00 C ATOM 1915 C ASP A1040 -3.168 -13.345 -3.414 1.00 0.00 C ATOM 1916 O ASP A1040 -3.693 -14.444 -3.215 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.496 -11.288 -3.904 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.420 -12.170 -4.723 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -6.068 -13.068 -4.147 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -5.508 -11.967 -5.954 1.00 0.00 O ATOM 0 H ASP A1040 -2.529 -10.349 -2.657 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.445 -12.288 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -5.080 -10.499 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -3.782 -10.801 -4.568 1.00 0.00 H new ATOM 1925 N GLN A1041 -2.053 -13.182 -4.100 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.313 -14.309 -4.617 1.00 0.00 C ATOM 1927 C GLN A1041 -0.561 -15.014 -3.508 1.00 0.00 C ATOM 1928 O GLN A1041 -0.221 -16.151 -3.674 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.341 -13.915 -5.721 1.00 0.00 C ATOM 1930 CG GLN A1041 -1.020 -13.532 -7.025 1.00 0.00 C ATOM 1931 CD GLN A1041 -0.036 -13.055 -8.072 1.00 0.00 C ATOM 1932 OE1 GLN A1041 0.268 -11.866 -8.156 1.00 0.00 O ATOM 1933 NE2 GLN A1041 0.451 -13.970 -8.893 1.00 0.00 N ATOM 0 H GLN A1041 -1.641 -12.273 -4.311 1.00 0.00 H new ATOM 0 HA GLN A1041 -2.049 -14.987 -5.049 1.00 0.00 H new ATOM 0 HB2 GLN A1041 0.265 -13.077 -5.377 1.00 0.00 H new ATOM 0 HB3 GLN A1041 0.340 -14.745 -5.907 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -1.569 -14.391 -7.411 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.751 -12.747 -6.833 1.00 0.00 H new ATOM 0 HE21 GLN A1041 0.174 -14.946 -8.791 1.00 0.00 H new ATOM 0 HE22 GLN A1041 1.104 -13.699 -9.629 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.257 -14.333 -2.405 1.00 0.00 N ATOM 1943 CA ALA A1042 0.307 -14.999 -1.234 1.00 0.00 C ATOM 1944 C ALA A1042 -0.576 -16.152 -0.795 1.00 0.00 C ATOM 1945 O ALA A1042 -0.127 -17.285 -0.670 1.00 0.00 O ATOM 1946 CB ALA A1042 0.472 -14.030 -0.079 1.00 0.00 C ATOM 0 H ALA A1042 -0.391 -13.327 -2.298 1.00 0.00 H new ATOM 0 HA ALA A1042 1.287 -15.381 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A1042 0.894 -14.554 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.141 -13.222 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.500 -13.617 0.191 1.00 0.00 H new ATOM 1952 N ARG A1043 -1.838 -15.851 -0.549 1.00 0.00 N ATOM 1953 CA ARG A1043 -2.813 -16.891 -0.251 1.00 0.00 C ATOM 1954 C ARG A1043 -2.901 -17.898 -1.404 1.00 0.00 C ATOM 1955 O ARG A1043 -3.224 -19.067 -1.198 1.00 0.00 O ATOM 1956 CB ARG A1043 -4.181 -16.276 0.038 1.00 0.00 C ATOM 1957 CG ARG A1043 -4.744 -16.659 1.398 1.00 0.00 C ATOM 1958 CD ARG A1043 -3.811 -16.239 2.530 1.00 0.00 C ATOM 1959 NE ARG A1043 -4.434 -16.407 3.845 1.00 0.00 N ATOM 1960 CZ ARG A1043 -3.774 -16.417 5.007 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -2.447 -16.352 5.038 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -4.453 -16.502 6.144 1.00 0.00 N ATOM 0 H ARG A1043 -2.213 -14.902 -0.549 1.00 0.00 H new ATOM 0 HA ARG A1043 -2.484 -17.425 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -4.102 -15.190 -0.021 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -4.881 -16.587 -0.737 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.718 -16.189 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -4.902 -17.737 1.437 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.896 -16.830 2.484 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -3.524 -15.196 2.395 1.00 0.00 H new ATOM 0 HE ARG A1043 -5.447 -16.525 3.876 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -1.919 -16.294 4.167 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -1.957 -16.361 5.932 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -5.471 -16.559 6.127 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -3.957 -16.510 7.035 1.00 0.00 H new ATOM 1976 N LEU A1044 -2.599 -17.436 -2.616 1.00 0.00 N ATOM 1977 CA LEU A1044 -2.523 -18.315 -3.784 1.00 0.00 C ATOM 1978 C LEU A1044 -1.226 -19.137 -3.740 1.00 0.00 C ATOM 1979 O LEU A1044 -1.197 -20.274 -4.182 1.00 0.00 O ATOM 1980 CB LEU A1044 -2.602 -17.484 -5.079 1.00 0.00 C ATOM 1981 CG LEU A1044 -2.966 -18.243 -6.367 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -3.382 -17.262 -7.448 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -1.804 -19.084 -6.871 1.00 0.00 C ATOM 0 H LEU A1044 -2.402 -16.455 -2.816 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.367 -19.004 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -3.337 -16.693 -4.931 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -1.638 -16.999 -5.231 1.00 0.00 H new ATOM 0 HG LEU A1044 -3.794 -18.911 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -3.638 -17.808 -8.356 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -4.249 -16.694 -7.110 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -2.559 -16.579 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -2.100 -19.605 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -0.952 -18.438 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -1.526 -19.813 -6.110 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.163 -18.549 -3.193 1.00 0.00 N ATOM 1996 CA LYS A1045 1.112 -19.239 -3.001 1.00 0.00 C ATOM 1997 C LYS A1045 0.891 -20.414 -2.076 1.00 0.00 C ATOM 1998 O LYS A1045 1.553 -21.444 -2.166 1.00 0.00 O ATOM 1999 CB LYS A1045 2.165 -18.311 -2.369 1.00 0.00 C ATOM 2000 CG LYS A1045 2.433 -17.021 -3.118 1.00 0.00 C ATOM 2001 CD LYS A1045 2.874 -17.254 -4.555 1.00 0.00 C ATOM 2002 CE LYS A1045 2.998 -15.937 -5.310 1.00 0.00 C ATOM 2003 NZ LYS A1045 3.387 -16.132 -6.732 1.00 0.00 N ATOM 0 H LYS A1045 -0.161 -17.581 -2.871 1.00 0.00 H new ATOM 0 HA LYS A1045 1.477 -19.564 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.845 -18.063 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A1045 3.102 -18.861 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A1045 1.530 -16.410 -3.114 1.00 0.00 H new ATOM 0 HG3 LYS A1045 3.203 -16.455 -2.594 1.00 0.00 H new ATOM 0 HD2 LYS A1045 3.832 -17.774 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A1045 2.155 -17.900 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A1045 2.047 -15.405 -5.266 1.00 0.00 H new ATOM 0 HE3 LYS A1045 3.738 -15.307 -4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 3.672 -15.220 -7.142 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 4.183 -16.799 -6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 2.579 -16.514 -7.264 1.00 0.00 H new ATOM 2017 N MET A1046 -0.074 -20.243 -1.194 1.00 0.00 N ATOM 2018 CA MET A1046 -0.430 -21.278 -0.247 1.00 0.00 C ATOM 2019 C MET A1046 -1.258 -22.342 -0.964 1.00 0.00 C ATOM 2020 O MET A1046 -1.212 -23.526 -0.622 1.00 0.00 O ATOM 2021 CB MET A1046 -1.187 -20.662 0.926 1.00 0.00 C ATOM 2022 CG MET A1046 -1.380 -21.598 2.105 1.00 0.00 C ATOM 2023 SD MET A1046 -2.104 -20.759 3.529 1.00 0.00 S ATOM 2024 CE MET A1046 -2.035 -22.056 4.762 1.00 0.00 C ATOM 0 H MET A1046 -0.628 -19.390 -1.114 1.00 0.00 H new ATOM 0 HA MET A1046 0.465 -21.754 0.154 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.650 -19.776 1.265 1.00 0.00 H new ATOM 0 HB3 MET A1046 -2.165 -20.329 0.578 1.00 0.00 H new ATOM 0 HG2 MET A1046 -2.023 -22.426 1.808 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.419 -22.026 2.388 1.00 0.00 H new ATOM 0 HE1 MET A1046 -2.449 -21.688 5.701 1.00 0.00 H new ATOM 0 HE2 MET A1046 -2.615 -22.913 4.421 1.00 0.00 H new ATOM 0 HE3 MET A1046 -0.999 -22.357 4.916 1.00 0.00 H new ATOM 2034 N ILE A1047 -2.000 -21.905 -1.981 1.00 0.00 N ATOM 2035 CA ILE A1047 -2.657 -22.819 -2.906 1.00 0.00 C ATOM 2036 C ILE A1047 -1.593 -23.585 -3.688 1.00 0.00 C ATOM 2037 O ILE A1047 -1.658 -24.807 -3.822 1.00 0.00 O ATOM 2038 CB ILE A1047 -3.568 -22.071 -3.909 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -4.619 -21.233 -3.174 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -4.234 -23.055 -4.860 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -5.581 -22.046 -2.334 1.00 0.00 C ATOM 0 H ILE A1047 -2.160 -20.918 -2.183 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.279 -23.496 -2.321 1.00 0.00 H new ATOM 0 HB ILE A1047 -2.946 -21.393 -4.494 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.111 -20.514 -2.531 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.188 -20.660 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -4.871 -22.512 -5.558 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -3.470 -23.599 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -4.839 -23.759 -4.289 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -6.292 -21.379 -1.847 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -6.119 -22.747 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -5.025 -22.599 -1.577 1.00 0.00 H new ATOM 2053 N SER A1048 -0.608 -22.834 -4.180 1.00 0.00 N ATOM 2054 CA SER A1048 0.534 -23.384 -4.902 1.00 0.00 C ATOM 2055 C SER A1048 1.253 -24.439 -4.065 1.00 0.00 C ATOM 2056 O SER A1048 1.731 -25.446 -4.593 1.00 0.00 O ATOM 2057 CB SER A1048 1.504 -22.249 -5.266 1.00 0.00 C ATOM 2058 OG SER A1048 0.869 -21.278 -6.088 1.00 0.00 O ATOM 0 H SER A1048 -0.582 -21.819 -4.087 1.00 0.00 H new ATOM 0 HA SER A1048 0.174 -23.863 -5.812 1.00 0.00 H new ATOM 0 HB2 SER A1048 1.872 -21.775 -4.356 1.00 0.00 H new ATOM 0 HB3 SER A1048 2.370 -22.659 -5.785 1.00 0.00 H new ATOM 0 HG SER A1048 0.255 -20.741 -5.545 1.00 0.00 H new ATOM 2064 N GLN A1049 1.331 -24.193 -2.764 1.00 0.00 N ATOM 2065 CA GLN A1049 1.910 -25.148 -1.829 1.00 0.00 C ATOM 2066 C GLN A1049 1.134 -26.462 -1.864 1.00 0.00 C ATOM 2067 O GLN A1049 1.630 -27.477 -2.357 1.00 0.00 O ATOM 2068 CB GLN A1049 1.890 -24.568 -0.416 1.00 0.00 C ATOM 2069 CG GLN A1049 2.561 -25.449 0.625 1.00 0.00 C ATOM 2070 CD GLN A1049 2.271 -24.983 2.036 1.00 0.00 C ATOM 2071 OE1 GLN A1049 1.197 -24.449 2.317 1.00 0.00 O ATOM 2072 NE2 GLN A1049 3.230 -25.167 2.928 1.00 0.00 N ATOM 0 H GLN A1049 0.997 -23.333 -2.330 1.00 0.00 H new ATOM 0 HA GLN A1049 2.942 -25.344 -2.121 1.00 0.00 H new ATOM 0 HB2 GLN A1049 2.383 -23.596 -0.427 1.00 0.00 H new ATOM 0 HB3 GLN A1049 0.855 -24.397 -0.119 1.00 0.00 H new ATOM 0 HG2 GLN A1049 2.218 -26.477 0.505 1.00 0.00 H new ATOM 0 HG3 GLN A1049 3.638 -25.451 0.458 1.00 0.00 H new ATOM 0 HE21 GLN A1049 4.104 -25.614 2.652 1.00 0.00 H new ATOM 0 HE22 GLN A1049 3.095 -24.862 3.892 1.00 0.00 H new