USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=31 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 951 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A1002 MET CE :methyl -161:sc= -6.56! (180deg=-6.04!) USER MOD Set 1.3: A1006 GLN : amide:sc= -2.59 K(o=-10,f=-15!) USER MOD Set 1.4: A1014 GLN :FLIP amide:sc= -1.28 F(o=-15!,f=-10) USER MOD Set 2.1: A 939 MET CE :methyl -133:sc= -0.874 (180deg=-3.14!) USER MOD Set 2.2: A 954 MET CE :methyl 140:sc= -8.64! (180deg=-11.3!) USER MOD Set 2.3: A1021 MET CE :methyl -128:sc= -0.306 (180deg=-1.38) USER MOD Single : A 921 SER OG : rot 180:sc= 0 USER MOD Single : A 922 ASN : amide:sc= 0.278 K(o=0.28,f=-0.41) USER MOD Single : A 924 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00773) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -3.33! C(o=-3.3!,f=-11!) USER MOD Single : A 930 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot 67:sc= 0.586 USER MOD Single : A 941 SER OG : rot 70:sc= 0.571 USER MOD Single : A 942 LYS NZ :NH3+ -145:sc= -0.0642 (180deg=-0.532) USER MOD Single : A 944 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.59) USER MOD Single : A 956 LYS NZ :NH3+ -137:sc= -1.77! (180deg=-3.49!) USER MOD Single : A 964 THR OG1 : rot 80:sc= 1.18 USER MOD Single : A 968 THR OG1 : rot -129:sc= -2.42! USER MOD Single : A 972 SER OG : rot -154:sc= -2.31 USER MOD Single : A 979 SER OG : rot -5:sc= 0.884 USER MOD Single : A 980 THR OG1 : rot -40:sc= -0.464 USER MOD Single : A 981 HIS : no HD1:sc= -0.0926 K(o=-0.093,f=-3.1) USER MOD Single : A 986 MET CE :methyl -118:sc= -1.68 (180deg=-2.69!) USER MOD Single : A 988 GLN : amide:sc= -2.51! X(o=-2.5!,f=-2.3) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= -0.151 K(o=-0.15,f=-1.7!) USER MOD Single : A 993 SER OG : rot 39:sc= 0.825 USER MOD Single : A1000 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A1001 LYS NZ :NH3+ -174:sc= 1.15 (180deg=1.04) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 GLN : amide:sc= 0.284 K(o=0.28,f=-0.28) USER MOD Single : A1008 TYR OH : rot 146:sc= 0.0545 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 : A1018 LYS NZ :NH3+ 167:sc= -0.0104 (180deg=-0.15) USER MOD Single : A1019 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0113) USER MOD Single : A1020 GLN : amide:sc= -0.306 K(o=-0.31,f=-1.4) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ -163:sc= -0.0825 (180deg=-0.43) USER MOD Single : A1034 ASN : amide:sc= -0.581 X(o=-0.58,f=-1) USER MOD Single : A1041 GLN :FLIP amide:sc= -0.0095 F(o=-0.69,f=-0.0095) USER MOD Single : A1045 LYS NZ :NH3+ -160:sc= 1.19 (180deg=0.613) USER MOD Single : A1046 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1048 SER OG : rot 52:sc= 0.764 USER MOD Single : A1049 GLN : amide:sc= -0.0826 X(o=-0.083,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -7.930 -20.486 -2.471 1.00 0.00 N ATOM 2 CA ARG A 920 -8.018 -19.471 -1.442 1.00 0.00 C ATOM 3 C ARG A 920 -8.747 -18.251 -1.980 1.00 0.00 C ATOM 4 O ARG A 920 -8.428 -17.755 -3.059 1.00 0.00 O ATOM 5 CB ARG A 920 -6.631 -19.063 -0.955 1.00 0.00 C ATOM 6 CG ARG A 920 -6.660 -18.317 0.364 1.00 0.00 C ATOM 7 CD ARG A 920 -6.899 -19.262 1.529 1.00 0.00 C ATOM 8 NE ARG A 920 -7.444 -18.569 2.697 1.00 0.00 N ATOM 9 CZ ARG A 920 -7.054 -18.790 3.956 1.00 0.00 C ATOM 10 NH1 ARG A 920 -6.045 -19.611 4.216 1.00 0.00 N ATOM 11 NH2 ARG A 920 -7.666 -18.178 4.962 1.00 0.00 N ATOM 0 HA ARG A 920 -8.571 -19.888 -0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.013 -19.955 -0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -6.157 -18.436 -1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -5.716 -17.791 0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -7.445 -17.561 0.339 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -7.587 -20.049 1.221 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -5.961 -19.747 1.800 1.00 0.00 H new ATOM 0 HE ARG A 920 -8.170 -17.870 2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -5.559 -20.080 3.452 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -5.755 -19.773 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -8.437 -17.537 4.776 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -7.366 -18.349 5.922 1.00 0.00 H new ATOM 25 N SER A 921 -9.710 -17.766 -1.219 1.00 0.00 N ATOM 26 CA SER A 921 -10.506 -16.615 -1.616 1.00 0.00 C ATOM 27 C SER A 921 -9.821 -15.293 -1.233 1.00 0.00 C ATOM 28 O SER A 921 -10.485 -14.280 -1.027 1.00 0.00 O ATOM 29 CB SER A 921 -11.876 -16.721 -0.962 1.00 0.00 C ATOM 30 OG SER A 921 -12.505 -17.953 -1.290 1.00 0.00 O ATOM 0 H SER A 921 -9.964 -18.156 -0.311 1.00 0.00 H new ATOM 0 HA SER A 921 -10.611 -16.614 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 921 -11.773 -16.638 0.120 1.00 0.00 H new ATOM 0 HB3 SER A 921 -12.503 -15.891 -1.287 1.00 0.00 H new ATOM 0 HG SER A 921 -13.383 -17.998 -0.856 1.00 0.00 H new ATOM 36 N ASN A 922 -8.487 -15.329 -1.164 1.00 0.00 N ATOM 37 CA ASN A 922 -7.646 -14.146 -0.915 1.00 0.00 C ATOM 38 C ASN A 922 -8.078 -13.390 0.318 1.00 0.00 C ATOM 39 O ASN A 922 -8.532 -12.245 0.246 1.00 0.00 O ATOM 40 CB ASN A 922 -7.611 -13.212 -2.116 1.00 0.00 C ATOM 41 CG ASN A 922 -7.867 -13.943 -3.419 1.00 0.00 C ATOM 42 OD1 ASN A 922 -8.989 -13.964 -3.926 1.00 0.00 O ATOM 43 ND2 ASN A 922 -6.836 -14.579 -3.951 1.00 0.00 N ATOM 0 H ASN A 922 -7.951 -16.189 -1.280 1.00 0.00 H new ATOM 0 HA ASN A 922 -6.637 -14.522 -0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -8.359 -12.430 -1.987 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -6.640 -12.720 -2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -6.955 -15.112 -4.813 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -5.922 -14.536 -3.500 1.00 0.00 H new ATOM 50 N ASP A 923 -7.845 -14.062 1.430 1.00 0.00 N ATOM 51 CA ASP A 923 -8.139 -13.616 2.792 1.00 0.00 C ATOM 52 C ASP A 923 -7.655 -12.181 3.059 1.00 0.00 C ATOM 53 O ASP A 923 -7.297 -11.458 2.142 1.00 0.00 O ATOM 54 CB ASP A 923 -7.480 -14.620 3.752 1.00 0.00 C ATOM 55 CG ASP A 923 -7.854 -14.436 5.208 1.00 0.00 C ATOM 56 OD1 ASP A 923 -9.058 -14.473 5.529 1.00 0.00 O ATOM 57 OD2 ASP A 923 -6.935 -14.248 6.023 1.00 0.00 O ATOM 0 H ASP A 923 -7.421 -14.989 1.413 1.00 0.00 H new ATOM 0 HA ASP A 923 -9.218 -13.588 2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -7.753 -15.630 3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -6.397 -14.539 3.655 1.00 0.00 H new ATOM 62 N LYS A 924 -7.737 -11.770 4.316 1.00 0.00 N ATOM 63 CA LYS A 924 -7.275 -10.458 4.814 1.00 0.00 C ATOM 64 C LYS A 924 -6.111 -9.853 3.993 1.00 0.00 C ATOM 65 O LYS A 924 -5.948 -8.634 3.951 1.00 0.00 O ATOM 66 CB LYS A 924 -6.842 -10.623 6.278 1.00 0.00 C ATOM 67 CG LYS A 924 -7.337 -9.532 7.221 1.00 0.00 C ATOM 68 CD LYS A 924 -6.814 -8.164 6.826 1.00 0.00 C ATOM 69 CE LYS A 924 -7.045 -7.128 7.911 1.00 0.00 C ATOM 70 NZ LYS A 924 -8.486 -6.914 8.202 1.00 0.00 N ATOM 0 H LYS A 924 -8.139 -12.351 5.052 1.00 0.00 H new ATOM 0 HA LYS A 924 -8.107 -9.761 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -7.200 -11.586 6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.753 -10.651 6.319 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -8.427 -9.518 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -7.022 -9.761 8.239 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -5.747 -8.232 6.612 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -7.303 -7.841 5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -6.537 -7.443 8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -6.596 -6.183 7.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -8.589 -6.162 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -8.979 -6.636 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -8.901 -7.795 8.568 1.00 0.00 H new ATOM 84 N VAL A 925 -5.310 -10.700 3.353 1.00 0.00 N ATOM 85 CA VAL A 925 -4.254 -10.245 2.468 1.00 0.00 C ATOM 86 C VAL A 925 -4.786 -9.360 1.335 1.00 0.00 C ATOM 87 O VAL A 925 -4.324 -8.239 1.184 1.00 0.00 O ATOM 88 CB VAL A 925 -3.477 -11.435 1.868 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.525 -12.024 2.897 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.431 -12.505 1.365 1.00 0.00 C ATOM 0 H VAL A 925 -5.378 -11.714 3.435 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.580 -9.646 3.080 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.895 -11.067 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -1.986 -12.862 2.456 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.814 -11.261 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -3.092 -12.372 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.860 -13.334 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.042 -12.866 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.077 -12.084 0.595 1.00 0.00 H new ATOM 100 N TYR A 926 -5.791 -9.819 0.582 1.00 0.00 N ATOM 101 CA TYR A 926 -6.326 -9.016 -0.520 1.00 0.00 C ATOM 102 C TYR A 926 -7.228 -7.923 0.053 1.00 0.00 C ATOM 103 O TYR A 926 -7.398 -6.849 -0.530 1.00 0.00 O ATOM 104 CB TYR A 926 -7.095 -9.925 -1.479 1.00 0.00 C ATOM 105 CG TYR A 926 -7.909 -9.202 -2.525 1.00 0.00 C ATOM 106 CD1 TYR A 926 -7.320 -8.308 -3.412 1.00 0.00 C ATOM 107 CD2 TYR A 926 -9.275 -9.419 -2.622 1.00 0.00 C ATOM 108 CE1 TYR A 926 -8.074 -7.654 -4.366 1.00 0.00 C ATOM 109 CE2 TYR A 926 -10.035 -8.769 -3.573 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.431 -7.886 -4.441 1.00 0.00 C ATOM 111 OH TYR A 926 -10.186 -7.237 -5.392 1.00 0.00 O ATOM 0 H TYR A 926 -6.242 -10.724 0.712 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.517 -8.541 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.385 -10.582 -1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.761 -10.562 -0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -6.258 -8.122 -3.354 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -9.752 -10.109 -1.942 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -7.603 -6.964 -5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -11.098 -8.952 -3.636 1.00 0.00 H new ATOM 0 HH TYR A 926 -11.123 -7.513 -5.310 1.00 0.00 H new ATOM 121 N GLU A 927 -7.776 -8.213 1.225 1.00 0.00 N ATOM 122 CA GLU A 927 -8.681 -7.308 1.914 1.00 0.00 C ATOM 123 C GLU A 927 -7.976 -6.033 2.379 1.00 0.00 C ATOM 124 O GLU A 927 -8.308 -4.936 1.931 1.00 0.00 O ATOM 125 CB GLU A 927 -9.308 -8.026 3.108 1.00 0.00 C ATOM 126 CG GLU A 927 -10.449 -8.952 2.728 1.00 0.00 C ATOM 127 CD GLU A 927 -11.097 -9.583 3.939 1.00 0.00 C ATOM 128 OE1 GLU A 927 -11.767 -8.853 4.700 1.00 0.00 O ATOM 129 OE2 GLU A 927 -10.928 -10.800 4.151 1.00 0.00 O ATOM 0 H GLU A 927 -7.604 -9.085 1.725 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.457 -7.010 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -8.538 -8.603 3.620 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -9.674 -7.283 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -11.198 -8.393 2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.075 -9.735 2.068 1.00 0.00 H new ATOM 136 N ASN A 928 -6.992 -6.180 3.261 1.00 0.00 N ATOM 137 CA ASN A 928 -6.356 -5.026 3.899 1.00 0.00 C ATOM 138 C ASN A 928 -5.479 -4.269 2.914 1.00 0.00 C ATOM 139 O ASN A 928 -5.321 -3.059 3.029 1.00 0.00 O ATOM 140 CB ASN A 928 -5.522 -5.459 5.107 1.00 0.00 C ATOM 141 CG ASN A 928 -5.252 -4.340 6.112 1.00 0.00 C ATOM 142 OD1 ASN A 928 -5.155 -4.594 7.308 1.00 0.00 O ATOM 143 ND2 ASN A 928 -5.117 -3.107 5.647 1.00 0.00 N ATOM 0 H ASN A 928 -6.617 -7.083 3.551 1.00 0.00 H new ATOM 0 HA ASN A 928 -7.151 -4.363 4.239 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.036 -6.274 5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -4.569 -5.854 4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -4.927 -2.338 6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -5.203 -2.927 4.647 1.00 0.00 H new ATOM 150 N VAL A 929 -4.875 -4.970 1.970 1.00 0.00 N ATOM 151 CA VAL A 929 -4.099 -4.295 0.941 1.00 0.00 C ATOM 152 C VAL A 929 -4.985 -3.351 0.119 1.00 0.00 C ATOM 153 O VAL A 929 -4.531 -2.306 -0.344 1.00 0.00 O ATOM 154 CB VAL A 929 -3.374 -5.285 0.021 1.00 0.00 C ATOM 155 CG1 VAL A 929 -4.367 -6.070 -0.813 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.365 -4.555 -0.848 1.00 0.00 C ATOM 0 H VAL A 929 -4.904 -5.987 1.893 1.00 0.00 H new ATOM 0 HA VAL A 929 -3.338 -3.706 1.452 1.00 0.00 H new ATOM 0 HB VAL A 929 -2.829 -6.001 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -3.831 -6.766 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -5.035 -6.626 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -4.950 -5.383 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.858 -5.270 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.880 -3.814 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -1.632 -4.057 -0.214 1.00 0.00 H new ATOM 166 N THR A 930 -6.256 -3.707 -0.046 1.00 0.00 N ATOM 167 CA THR A 930 -7.220 -2.782 -0.618 1.00 0.00 C ATOM 168 C THR A 930 -7.359 -1.581 0.315 1.00 0.00 C ATOM 169 O THR A 930 -7.474 -0.440 -0.124 1.00 0.00 O ATOM 170 CB THR A 930 -8.595 -3.451 -0.828 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.456 -4.603 -1.674 1.00 0.00 O ATOM 172 CG2 THR A 930 -9.586 -2.479 -1.455 1.00 0.00 C ATOM 0 H THR A 930 -6.636 -4.619 0.206 1.00 0.00 H new ATOM 0 HA THR A 930 -6.861 -2.463 -1.596 1.00 0.00 H new ATOM 0 HB THR A 930 -8.975 -3.755 0.147 1.00 0.00 H new ATOM 0 HG1 THR A 930 -8.220 -5.383 -1.129 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.546 -2.976 -1.592 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.714 -1.617 -0.800 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.208 -2.147 -2.422 1.00 0.00 H new ATOM 180 N GLY A 931 -7.323 -1.871 1.610 1.00 0.00 N ATOM 181 CA GLY A 931 -7.292 -0.841 2.638 1.00 0.00 C ATOM 182 C GLY A 931 -6.089 0.085 2.512 1.00 0.00 C ATOM 183 O GLY A 931 -6.149 1.242 2.930 1.00 0.00 O ATOM 0 H GLY A 931 -7.315 -2.823 1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.206 -0.250 2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.279 -1.315 3.620 1.00 0.00 H new ATOM 187 N LEU A 932 -4.994 -0.421 1.945 1.00 0.00 N ATOM 188 CA LEU A 932 -3.821 0.390 1.674 1.00 0.00 C ATOM 189 C LEU A 932 -4.169 1.433 0.615 1.00 0.00 C ATOM 190 O LEU A 932 -3.704 2.572 0.656 1.00 0.00 O ATOM 191 CB LEU A 932 -2.681 -0.537 1.237 1.00 0.00 C ATOM 192 CG LEU A 932 -1.422 0.105 0.641 1.00 0.00 C ATOM 193 CD1 LEU A 932 -0.867 1.197 1.531 1.00 0.00 C ATOM 194 CD2 LEU A 932 -0.362 -0.964 0.414 1.00 0.00 C ATOM 0 H LEU A 932 -4.901 -1.397 1.665 1.00 0.00 H new ATOM 0 HA LEU A 932 -3.493 0.929 2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -2.378 -1.126 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -3.081 -1.235 0.501 1.00 0.00 H new ATOM 0 HG LEU A 932 -1.700 0.563 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.024 1.624 1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -1.617 1.977 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -0.607 0.777 2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 932 0.532 -0.506 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -0.112 -1.436 1.364 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -0.746 -1.716 -0.275 1.00 0.00 H new ATOM 206 N VAL A 933 -5.036 1.041 -0.308 1.00 0.00 N ATOM 207 CA VAL A 933 -5.571 1.963 -1.295 1.00 0.00 C ATOM 208 C VAL A 933 -6.653 2.851 -0.663 1.00 0.00 C ATOM 209 O VAL A 933 -6.755 4.033 -0.963 1.00 0.00 O ATOM 210 CB VAL A 933 -6.155 1.209 -2.512 1.00 0.00 C ATOM 211 CG1 VAL A 933 -6.703 2.183 -3.546 1.00 0.00 C ATOM 212 CG2 VAL A 933 -5.096 0.308 -3.133 1.00 0.00 C ATOM 0 H VAL A 933 -5.384 0.086 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 933 -4.750 2.589 -1.644 1.00 0.00 H new ATOM 0 HB VAL A 933 -6.981 0.588 -2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -7.108 1.627 -4.391 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -7.493 2.785 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -5.901 2.836 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -5.521 -0.217 -3.989 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -4.251 0.913 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -4.757 -0.418 -2.394 1.00 0.00 H new ATOM 222 N LYS A 934 -7.452 2.269 0.223 1.00 0.00 N ATOM 223 CA LYS A 934 -8.511 3.007 0.917 1.00 0.00 C ATOM 224 C LYS A 934 -7.940 4.176 1.704 1.00 0.00 C ATOM 225 O LYS A 934 -8.543 5.241 1.775 1.00 0.00 O ATOM 226 CB LYS A 934 -9.280 2.100 1.882 1.00 0.00 C ATOM 227 CG LYS A 934 -9.887 0.854 1.253 1.00 0.00 C ATOM 228 CD LYS A 934 -10.937 1.176 0.200 1.00 0.00 C ATOM 229 CE LYS A 934 -10.321 1.355 -1.179 1.00 0.00 C ATOM 230 NZ LYS A 934 -11.360 1.581 -2.217 1.00 0.00 N ATOM 0 H LYS A 934 -7.390 1.284 0.482 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.190 3.379 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -8.606 1.793 2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.079 2.681 2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.095 0.259 0.799 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -10.338 0.242 2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -11.675 0.375 0.167 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -11.467 2.086 0.482 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.632 2.199 -1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.737 0.471 -1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -10.904 1.699 -3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -12.003 0.764 -2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -11.901 2.439 -1.986 1.00 0.00 H new ATOM 244 N ALA A 935 -6.776 3.971 2.295 1.00 0.00 N ATOM 245 CA ALA A 935 -6.151 5.002 3.102 1.00 0.00 C ATOM 246 C ALA A 935 -5.436 6.037 2.240 1.00 0.00 C ATOM 247 O ALA A 935 -5.236 7.169 2.668 1.00 0.00 O ATOM 248 CB ALA A 935 -5.227 4.400 4.130 1.00 0.00 C ATOM 0 H ALA A 935 -6.246 3.102 2.231 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.943 5.527 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -4.772 5.195 4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -5.794 3.739 4.786 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.446 3.829 3.627 1.00 0.00 H new ATOM 254 N VAL A 936 -5.029 5.667 1.031 1.00 0.00 N ATOM 255 CA VAL A 936 -4.565 6.680 0.095 1.00 0.00 C ATOM 256 C VAL A 936 -5.780 7.369 -0.540 1.00 0.00 C ATOM 257 O VAL A 936 -5.682 8.457 -1.114 1.00 0.00 O ATOM 258 CB VAL A 936 -3.573 6.131 -0.968 1.00 0.00 C ATOM 259 CG1 VAL A 936 -4.218 5.109 -1.880 1.00 0.00 C ATOM 260 CG2 VAL A 936 -2.971 7.262 -1.786 1.00 0.00 C ATOM 0 H VAL A 936 -5.010 4.708 0.685 1.00 0.00 H new ATOM 0 HA VAL A 936 -3.986 7.416 0.652 1.00 0.00 H new ATOM 0 HB VAL A 936 -2.775 5.627 -0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -3.485 4.755 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -4.578 4.268 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -5.056 5.567 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -2.281 6.851 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -3.766 7.804 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.434 7.943 -1.126 1.00 0.00 H new ATOM 270 N ILE A 937 -6.945 6.740 -0.390 1.00 0.00 N ATOM 271 CA ILE A 937 -8.208 7.409 -0.660 1.00 0.00 C ATOM 272 C ILE A 937 -8.502 8.381 0.485 1.00 0.00 C ATOM 273 O ILE A 937 -9.000 9.485 0.263 1.00 0.00 O ATOM 274 CB ILE A 937 -9.386 6.417 -0.836 1.00 0.00 C ATOM 275 CG1 ILE A 937 -9.147 5.511 -2.049 1.00 0.00 C ATOM 276 CG2 ILE A 937 -10.705 7.164 -0.989 1.00 0.00 C ATOM 277 CD1 ILE A 937 -8.957 6.264 -3.349 1.00 0.00 C ATOM 0 H ILE A 937 -7.036 5.771 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.112 7.944 -1.605 1.00 0.00 H new ATOM 0 HB ILE A 937 -9.444 5.797 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -8.265 4.897 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -9.992 4.831 -2.155 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -11.517 6.447 -1.111 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -10.886 7.769 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -10.657 7.811 -1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -8.793 5.554 -4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -9.847 6.857 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -8.094 6.924 -3.264 1.00 0.00 H new ATOM 289 N GLU A 938 -8.180 7.960 1.714 1.00 0.00 N ATOM 290 CA GLU A 938 -8.146 8.875 2.858 1.00 0.00 C ATOM 291 C GLU A 938 -7.280 10.058 2.512 1.00 0.00 C ATOM 292 O GLU A 938 -7.662 11.195 2.717 1.00 0.00 O ATOM 293 CB GLU A 938 -7.556 8.214 4.103 1.00 0.00 C ATOM 294 CG GLU A 938 -8.377 7.052 4.633 1.00 0.00 C ATOM 295 CD GLU A 938 -9.723 7.483 5.173 1.00 0.00 C ATOM 296 OE1 GLU A 938 -9.788 7.886 6.351 1.00 0.00 O ATOM 297 OE2 GLU A 938 -10.726 7.399 4.431 1.00 0.00 O ATOM 0 H GLU A 938 -7.940 6.995 1.940 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.173 9.172 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.551 7.860 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.458 8.964 4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.527 6.325 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -7.818 6.548 5.422 1.00 0.00 H new ATOM 304 N MET A 939 -6.121 9.761 1.946 1.00 0.00 N ATOM 305 CA MET A 939 -5.162 10.782 1.572 1.00 0.00 C ATOM 306 C MET A 939 -5.808 11.760 0.593 1.00 0.00 C ATOM 307 O MET A 939 -5.584 12.962 0.650 1.00 0.00 O ATOM 308 CB MET A 939 -3.931 10.128 0.940 1.00 0.00 C ATOM 309 CG MET A 939 -2.722 11.039 0.855 1.00 0.00 C ATOM 310 SD MET A 939 -1.480 10.447 -0.307 1.00 0.00 S ATOM 311 CE MET A 939 -2.342 10.692 -1.859 1.00 0.00 C ATOM 0 H MET A 939 -5.822 8.809 1.735 1.00 0.00 H new ATOM 0 HA MET A 939 -4.849 11.330 2.461 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.666 9.243 1.518 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.188 9.788 -0.063 1.00 0.00 H new ATOM 0 HG2 MET A 939 -3.045 12.036 0.557 1.00 0.00 H new ATOM 0 HG3 MET A 939 -2.273 11.132 1.844 1.00 0.00 H new ATOM 0 HE1 MET A 939 -2.248 9.796 -2.473 1.00 0.00 H new ATOM 0 HE2 MET A 939 -3.396 10.889 -1.663 1.00 0.00 H new ATOM 0 HE3 MET A 939 -1.907 11.541 -2.387 1.00 0.00 H new ATOM 321 N SER A 940 -6.645 11.234 -0.283 1.00 0.00 N ATOM 322 CA SER A 940 -7.344 12.049 -1.261 1.00 0.00 C ATOM 323 C SER A 940 -8.479 12.856 -0.617 1.00 0.00 C ATOM 324 O SER A 940 -8.708 14.014 -0.964 1.00 0.00 O ATOM 325 CB SER A 940 -7.890 11.155 -2.372 1.00 0.00 C ATOM 326 OG SER A 940 -6.843 10.421 -2.990 1.00 0.00 O ATOM 0 H SER A 940 -6.858 10.238 -0.337 1.00 0.00 H new ATOM 0 HA SER A 940 -6.636 12.763 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 940 -8.629 10.467 -1.961 1.00 0.00 H new ATOM 0 HB3 SER A 940 -8.402 11.765 -3.117 1.00 0.00 H new ATOM 0 HG SER A 940 -6.472 9.778 -2.350 1.00 0.00 H new ATOM 332 N SER A 941 -9.172 12.255 0.336 1.00 0.00 N ATOM 333 CA SER A 941 -10.329 12.891 0.947 1.00 0.00 C ATOM 334 C SER A 941 -9.864 13.913 1.966 1.00 0.00 C ATOM 335 O SER A 941 -10.340 15.050 2.015 1.00 0.00 O ATOM 336 CB SER A 941 -11.213 11.835 1.608 1.00 0.00 C ATOM 337 OG SER A 941 -11.589 10.834 0.673 1.00 0.00 O ATOM 0 H SER A 941 -8.955 11.329 0.703 1.00 0.00 H new ATOM 0 HA SER A 941 -10.914 13.399 0.181 1.00 0.00 H new ATOM 0 HB2 SER A 941 -10.680 11.378 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.105 12.307 2.020 1.00 0.00 H new ATOM 0 HG SER A 941 -10.805 10.295 0.438 1.00 0.00 H new ATOM 343 N LYS A 942 -8.888 13.485 2.743 1.00 0.00 N ATOM 344 CA LYS A 942 -8.315 14.274 3.806 1.00 0.00 C ATOM 345 C LYS A 942 -7.720 15.564 3.249 1.00 0.00 C ATOM 346 O LYS A 942 -7.792 16.603 3.894 1.00 0.00 O ATOM 347 CB LYS A 942 -7.247 13.431 4.517 1.00 0.00 C ATOM 348 CG LYS A 942 -7.079 13.726 5.995 1.00 0.00 C ATOM 349 CD LYS A 942 -6.410 15.061 6.221 1.00 0.00 C ATOM 350 CE LYS A 942 -6.308 15.394 7.700 1.00 0.00 C ATOM 351 NZ LYS A 942 -7.634 15.336 8.367 1.00 0.00 N ATOM 0 H LYS A 942 -8.466 12.561 2.648 1.00 0.00 H new ATOM 0 HA LYS A 942 -9.087 14.555 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -7.499 12.377 4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -6.290 13.588 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -8.054 13.720 6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -6.486 12.938 6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -5.413 15.048 5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -6.973 15.842 5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -5.626 14.696 8.184 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -5.883 16.390 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -7.684 16.068 9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -8.383 15.500 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -7.764 14.399 8.800 1.00 0.00 H new ATOM 365 N ILE A 943 -7.161 15.497 2.036 1.00 0.00 N ATOM 366 CA ILE A 943 -6.551 16.673 1.412 1.00 0.00 C ATOM 367 C ILE A 943 -7.616 17.612 0.847 1.00 0.00 C ATOM 368 O ILE A 943 -7.375 18.811 0.700 1.00 0.00 O ATOM 369 CB ILE A 943 -5.549 16.304 0.285 1.00 0.00 C ATOM 370 CG1 ILE A 943 -4.760 17.543 -0.156 1.00 0.00 C ATOM 371 CG2 ILE A 943 -6.265 15.691 -0.908 1.00 0.00 C ATOM 372 CD1 ILE A 943 -3.829 17.294 -1.324 1.00 0.00 C ATOM 0 H ILE A 943 -7.119 14.648 1.472 1.00 0.00 H new ATOM 0 HA ILE A 943 -5.997 17.177 2.204 1.00 0.00 H new ATOM 0 HB ILE A 943 -4.855 15.564 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -5.462 18.332 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -4.177 17.910 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -5.538 15.443 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -6.784 14.785 -0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -6.987 16.405 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -3.307 18.217 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -3.102 16.529 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -4.407 16.957 -2.185 1.00 0.00 H new ATOM 384 N GLN A 944 -8.792 17.068 0.522 1.00 0.00 N ATOM 385 CA GLN A 944 -9.885 17.884 -0.005 1.00 0.00 C ATOM 386 C GLN A 944 -10.162 19.101 0.888 1.00 0.00 C ATOM 387 O GLN A 944 -10.143 20.229 0.398 1.00 0.00 O ATOM 388 CB GLN A 944 -11.163 17.059 -0.200 1.00 0.00 C ATOM 389 CG GLN A 944 -11.017 15.940 -1.219 1.00 0.00 C ATOM 390 CD GLN A 944 -10.629 16.444 -2.596 1.00 0.00 C ATOM 391 OE1 GLN A 944 -11.010 17.541 -3.002 1.00 0.00 O ATOM 392 NE2 GLN A 944 -9.850 15.651 -3.314 1.00 0.00 N ATOM 0 H GLN A 944 -9.009 16.076 0.614 1.00 0.00 H new ATOM 0 HA GLN A 944 -9.566 18.247 -0.982 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -11.458 16.630 0.758 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -11.969 17.722 -0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -10.264 15.234 -0.870 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -11.958 15.394 -1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -9.557 14.749 -2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -9.543 15.942 -4.242 1.00 0.00 H new ATOM 401 N PRO A 945 -10.434 18.922 2.199 1.00 0.00 N ATOM 402 CA PRO A 945 -10.614 20.045 3.116 1.00 0.00 C ATOM 403 C PRO A 945 -9.362 20.333 3.951 1.00 0.00 C ATOM 404 O PRO A 945 -9.458 20.797 5.088 1.00 0.00 O ATOM 405 CB PRO A 945 -11.737 19.526 4.007 1.00 0.00 C ATOM 406 CG PRO A 945 -11.507 18.047 4.091 1.00 0.00 C ATOM 407 CD PRO A 945 -10.649 17.659 2.909 1.00 0.00 C ATOM 0 HA PRO A 945 -10.822 20.985 2.604 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -11.705 19.988 4.994 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -12.715 19.751 3.582 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -11.012 17.787 5.027 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -12.455 17.509 4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -9.706 17.215 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.149 16.925 2.276 1.00 0.00 H new ATOM 415 N ALA A 946 -8.189 20.074 3.382 1.00 0.00 N ATOM 416 CA ALA A 946 -6.949 20.158 4.145 1.00 0.00 C ATOM 417 C ALA A 946 -6.157 21.425 3.859 1.00 0.00 C ATOM 418 O ALA A 946 -5.879 21.753 2.703 1.00 0.00 O ATOM 419 CB ALA A 946 -6.068 18.952 3.866 1.00 0.00 C ATOM 0 H ALA A 946 -8.071 19.807 2.405 1.00 0.00 H new ATOM 0 HA ALA A 946 -7.242 20.180 5.195 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -5.147 19.032 4.444 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -6.596 18.042 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -5.827 18.915 2.804 1.00 0.00 H new ATOM 425 N PRO A 947 -5.818 22.168 4.921 1.00 0.00 N ATOM 426 CA PRO A 947 -4.739 23.152 4.885 1.00 0.00 C ATOM 427 C PRO A 947 -3.390 22.428 4.968 1.00 0.00 C ATOM 428 O PRO A 947 -3.371 21.220 5.205 1.00 0.00 O ATOM 429 CB PRO A 947 -4.996 23.997 6.137 1.00 0.00 C ATOM 430 CG PRO A 947 -5.683 23.073 7.082 1.00 0.00 C ATOM 431 CD PRO A 947 -6.491 22.128 6.234 1.00 0.00 C ATOM 0 HA PRO A 947 -4.712 23.754 3.977 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -4.064 24.374 6.559 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -5.616 24.864 5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -4.960 22.529 7.689 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -6.325 23.625 7.769 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -6.495 21.121 6.651 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -7.531 22.447 6.160 1.00 0.00 H new ATOM 439 N PRO A 948 -2.250 23.126 4.786 1.00 0.00 N ATOM 440 CA PRO A 948 -0.920 22.488 4.782 1.00 0.00 C ATOM 441 C PRO A 948 -0.699 21.581 5.988 1.00 0.00 C ATOM 442 O PRO A 948 -0.136 20.476 5.880 1.00 0.00 O ATOM 443 CB PRO A 948 0.058 23.675 4.819 1.00 0.00 C ATOM 444 CG PRO A 948 -0.777 24.892 5.061 1.00 0.00 C ATOM 445 CD PRO A 948 -2.151 24.571 4.552 1.00 0.00 C ATOM 0 HA PRO A 948 -0.792 21.841 3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.798 23.546 5.609 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.606 23.758 3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.804 25.140 6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -0.363 25.757 4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.922 25.122 5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -2.260 24.819 3.496 1.00 0.00 H new ATOM 453 N GLU A 949 -1.200 22.043 7.122 1.00 0.00 N ATOM 454 CA GLU A 949 -1.077 21.333 8.380 1.00 0.00 C ATOM 455 C GLU A 949 -1.748 19.967 8.322 1.00 0.00 C ATOM 456 O GLU A 949 -1.386 19.073 9.074 1.00 0.00 O ATOM 457 CB GLU A 949 -1.695 22.166 9.492 1.00 0.00 C ATOM 458 CG GLU A 949 -1.014 23.506 9.687 1.00 0.00 C ATOM 459 CD GLU A 949 -1.651 24.324 10.786 1.00 0.00 C ATOM 460 OE1 GLU A 949 -2.590 25.089 10.492 1.00 0.00 O ATOM 461 OE2 GLU A 949 -1.211 24.214 11.946 1.00 0.00 O ATOM 0 H GLU A 949 -1.706 22.926 7.194 1.00 0.00 H new ATOM 0 HA GLU A 949 -0.017 21.173 8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -2.749 22.331 9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -1.650 21.604 10.425 1.00 0.00 H new ATOM 0 HG2 GLU A 949 0.038 23.345 9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -1.050 24.067 8.753 1.00 0.00 H new ATOM 468 N GLU A 950 -2.715 19.803 7.424 1.00 0.00 N ATOM 469 CA GLU A 950 -3.428 18.535 7.300 1.00 0.00 C ATOM 470 C GLU A 950 -2.936 17.741 6.109 1.00 0.00 C ATOM 471 O GLU A 950 -3.226 16.555 6.005 1.00 0.00 O ATOM 472 CB GLU A 950 -4.924 18.742 7.150 1.00 0.00 C ATOM 473 CG GLU A 950 -5.570 19.479 8.312 1.00 0.00 C ATOM 474 CD GLU A 950 -5.527 18.697 9.607 1.00 0.00 C ATOM 475 OE1 GLU A 950 -6.389 17.815 9.796 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.655 18.982 10.455 1.00 0.00 O ATOM 0 H GLU A 950 -3.022 20.527 6.775 1.00 0.00 H new ATOM 0 HA GLU A 950 -3.230 17.984 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -5.112 19.298 6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -5.405 17.770 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -5.065 20.435 8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -6.608 19.701 8.062 1.00 0.00 H new ATOM 483 N TYR A 951 -2.218 18.392 5.204 1.00 0.00 N ATOM 484 CA TYR A 951 -1.599 17.686 4.091 1.00 0.00 C ATOM 485 C TYR A 951 -0.725 16.561 4.622 1.00 0.00 C ATOM 486 O TYR A 951 -0.852 15.410 4.217 1.00 0.00 O ATOM 487 CB TYR A 951 -0.736 18.620 3.250 1.00 0.00 C ATOM 488 CG TYR A 951 -1.455 19.449 2.209 1.00 0.00 C ATOM 489 CD1 TYR A 951 -2.196 20.561 2.556 1.00 0.00 C ATOM 490 CD2 TYR A 951 -1.341 19.137 0.864 1.00 0.00 C ATOM 491 CE1 TYR A 951 -2.810 21.338 1.596 1.00 0.00 C ATOM 492 CE2 TYR A 951 -1.942 19.910 -0.104 1.00 0.00 C ATOM 493 CZ TYR A 951 -2.680 21.009 0.267 1.00 0.00 C ATOM 494 OH TYR A 951 -3.280 21.791 -0.694 1.00 0.00 O ATOM 0 H TYR A 951 -2.051 19.398 5.218 1.00 0.00 H new ATOM 0 HA TYR A 951 -2.397 17.287 3.465 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -0.211 19.298 3.923 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.022 18.022 2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.297 20.827 3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 951 -0.769 18.270 0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -3.390 22.201 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -1.834 19.655 -1.148 1.00 0.00 H new ATOM 0 HH TYR A 951 -3.090 21.422 -1.582 1.00 0.00 H new ATOM 504 N VAL A 952 0.157 16.887 5.556 1.00 0.00 N ATOM 505 CA VAL A 952 1.051 15.867 6.099 1.00 0.00 C ATOM 506 C VAL A 952 0.297 14.783 6.921 1.00 0.00 C ATOM 507 O VAL A 952 0.594 13.601 6.773 1.00 0.00 O ATOM 508 CB VAL A 952 2.272 16.469 6.863 1.00 0.00 C ATOM 509 CG1 VAL A 952 1.898 17.707 7.666 1.00 0.00 C ATOM 510 CG2 VAL A 952 2.927 15.425 7.759 1.00 0.00 C ATOM 0 H VAL A 952 0.274 17.822 5.947 1.00 0.00 H new ATOM 0 HA VAL A 952 1.471 15.350 5.236 1.00 0.00 H new ATOM 0 HB VAL A 952 2.994 16.780 6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 952 2.781 18.088 8.179 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.510 18.473 6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 952 1.135 17.448 8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.774 15.872 8.279 1.00 0.00 H new ATOM 0 HG22 VAL A 952 2.202 15.066 8.489 1.00 0.00 H new ATOM 0 HG23 VAL A 952 3.274 14.590 7.151 1.00 0.00 H new ATOM 520 N PRO A 953 -0.687 15.127 7.789 1.00 0.00 N ATOM 521 CA PRO A 953 -1.572 14.115 8.396 1.00 0.00 C ATOM 522 C PRO A 953 -2.341 13.287 7.374 1.00 0.00 C ATOM 523 O PRO A 953 -2.603 12.106 7.594 1.00 0.00 O ATOM 524 CB PRO A 953 -2.563 14.940 9.195 1.00 0.00 C ATOM 525 CG PRO A 953 -1.820 16.174 9.529 1.00 0.00 C ATOM 526 CD PRO A 953 -0.964 16.457 8.325 1.00 0.00 C ATOM 0 HA PRO A 953 -0.990 13.399 8.976 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.459 15.159 8.614 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -2.886 14.414 10.093 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -2.501 17.001 9.731 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -1.210 16.037 10.422 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.484 17.083 7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -0.047 16.980 8.597 1.00 0.00 H new ATOM 534 N MET A 954 -2.723 13.918 6.279 1.00 0.00 N ATOM 535 CA MET A 954 -3.417 13.239 5.197 1.00 0.00 C ATOM 536 C MET A 954 -2.519 12.158 4.608 1.00 0.00 C ATOM 537 O MET A 954 -2.915 10.997 4.445 1.00 0.00 O ATOM 538 CB MET A 954 -3.846 14.284 4.154 1.00 0.00 C ATOM 539 CG MET A 954 -3.751 13.854 2.703 1.00 0.00 C ATOM 540 SD MET A 954 -2.236 14.421 1.901 1.00 0.00 S ATOM 541 CE MET A 954 -2.657 14.257 0.169 1.00 0.00 C ATOM 0 H MET A 954 -2.562 14.912 6.114 1.00 0.00 H new ATOM 0 HA MET A 954 -4.315 12.741 5.562 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.877 14.572 4.360 1.00 0.00 H new ATOM 0 HB3 MET A 954 -3.233 15.175 4.289 1.00 0.00 H new ATOM 0 HG2 MET A 954 -3.801 12.767 2.647 1.00 0.00 H new ATOM 0 HG3 MET A 954 -4.612 14.241 2.157 1.00 0.00 H new ATOM 0 HE1 MET A 954 -2.262 15.109 -0.384 1.00 0.00 H new ATOM 0 HE2 MET A 954 -2.225 13.337 -0.225 1.00 0.00 H new ATOM 0 HE3 MET A 954 -3.741 14.225 0.060 1.00 0.00 H new ATOM 551 N VAL A 955 -1.306 12.551 4.293 1.00 0.00 N ATOM 552 CA VAL A 955 -0.295 11.593 3.874 1.00 0.00 C ATOM 553 C VAL A 955 -0.022 10.561 4.970 1.00 0.00 C ATOM 554 O VAL A 955 0.398 9.441 4.690 1.00 0.00 O ATOM 555 CB VAL A 955 1.019 12.278 3.427 1.00 0.00 C ATOM 556 CG1 VAL A 955 2.073 12.273 4.523 1.00 0.00 C ATOM 557 CG2 VAL A 955 1.541 11.620 2.164 1.00 0.00 C ATOM 0 H VAL A 955 -0.991 13.521 4.317 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.699 11.074 3.004 1.00 0.00 H new ATOM 0 HB VAL A 955 0.795 13.324 3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 955 2.976 12.765 4.161 1.00 0.00 H new ATOM 0 HG12 VAL A 955 1.694 12.806 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 955 2.306 11.245 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 955 2.466 12.107 1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 955 1.734 10.565 2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.799 11.715 1.371 1.00 0.00 H new ATOM 567 N LYS A 956 -0.257 10.937 6.217 1.00 0.00 N ATOM 568 CA LYS A 956 -0.067 10.009 7.321 1.00 0.00 C ATOM 569 C LYS A 956 -1.091 8.883 7.213 1.00 0.00 C ATOM 570 O LYS A 956 -0.810 7.735 7.549 1.00 0.00 O ATOM 571 CB LYS A 956 -0.219 10.722 8.665 1.00 0.00 C ATOM 572 CG LYS A 956 0.133 9.849 9.860 1.00 0.00 C ATOM 573 CD LYS A 956 -0.513 10.341 11.148 1.00 0.00 C ATOM 574 CE LYS A 956 -1.988 9.950 11.233 1.00 0.00 C ATOM 575 NZ LYS A 956 -2.848 10.739 10.309 1.00 0.00 N ATOM 0 H LYS A 956 -0.576 11.867 6.489 1.00 0.00 H new ATOM 0 HA LYS A 956 0.941 9.599 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.418 11.607 8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.247 11.069 8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -0.186 8.825 9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 956 1.216 9.828 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 956 0.022 9.927 12.003 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -0.421 11.425 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -2.092 8.890 11.002 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -2.338 10.090 12.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -3.719 11.022 10.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -2.335 11.588 9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -3.092 10.159 9.481 1.00 0.00 H new ATOM 589 N GLU A 957 -2.282 9.242 6.743 1.00 0.00 N ATOM 590 CA GLU A 957 -3.364 8.284 6.546 1.00 0.00 C ATOM 591 C GLU A 957 -2.928 7.145 5.623 1.00 0.00 C ATOM 592 O GLU A 957 -3.146 5.975 5.940 1.00 0.00 O ATOM 593 CB GLU A 957 -4.601 8.983 5.980 1.00 0.00 C ATOM 594 CG GLU A 957 -5.075 10.167 6.816 1.00 0.00 C ATOM 595 CD GLU A 957 -5.570 9.766 8.193 1.00 0.00 C ATOM 596 OE1 GLU A 957 -4.736 9.469 9.073 1.00 0.00 O ATOM 597 OE2 GLU A 957 -6.799 9.761 8.402 1.00 0.00 O ATOM 0 H GLU A 957 -2.523 10.200 6.489 1.00 0.00 H new ATOM 0 HA GLU A 957 -3.616 7.857 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.381 9.328 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.412 8.259 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.256 10.878 6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -5.876 10.681 6.285 1.00 0.00 H new ATOM 604 N VAL A 958 -2.290 7.472 4.494 1.00 0.00 N ATOM 605 CA VAL A 958 -1.772 6.425 3.607 1.00 0.00 C ATOM 606 C VAL A 958 -0.580 5.699 4.251 1.00 0.00 C ATOM 607 O VAL A 958 -0.278 4.557 3.908 1.00 0.00 O ATOM 608 CB VAL A 958 -1.378 6.960 2.204 1.00 0.00 C ATOM 609 CG1 VAL A 958 -0.200 7.916 2.269 1.00 0.00 C ATOM 610 CG2 VAL A 958 -1.080 5.807 1.256 1.00 0.00 C ATOM 0 H VAL A 958 -2.123 8.427 4.178 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.588 5.717 3.462 1.00 0.00 H new ATOM 0 HB VAL A 958 -2.230 7.521 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 958 0.041 8.265 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.457 8.768 2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 958 0.663 7.402 2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -0.806 6.202 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -0.256 5.214 1.652 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -1.965 5.178 1.158 1.00 0.00 H new ATOM 620 N GLY A 959 0.085 6.350 5.197 1.00 0.00 N ATOM 621 CA GLY A 959 1.164 5.692 5.914 1.00 0.00 C ATOM 622 C GLY A 959 0.641 4.595 6.821 1.00 0.00 C ATOM 623 O GLY A 959 1.203 3.498 6.880 1.00 0.00 O ATOM 0 H GLY A 959 -0.100 7.312 5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 959 1.871 5.269 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.709 6.426 6.507 1.00 0.00 H new ATOM 627 N LEU A 960 -0.448 4.899 7.520 1.00 0.00 N ATOM 628 CA LEU A 960 -1.174 3.902 8.309 1.00 0.00 C ATOM 629 C LEU A 960 -1.719 2.791 7.420 1.00 0.00 C ATOM 630 O LEU A 960 -1.992 1.685 7.888 1.00 0.00 O ATOM 631 CB LEU A 960 -2.324 4.556 9.084 1.00 0.00 C ATOM 632 CG LEU A 960 -1.968 5.095 10.475 1.00 0.00 C ATOM 633 CD1 LEU A 960 -1.486 3.967 11.374 1.00 0.00 C ATOM 634 CD2 LEU A 960 -0.916 6.193 10.384 1.00 0.00 C ATOM 0 H LEU A 960 -0.852 5.835 7.558 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.470 3.467 9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -2.719 5.378 8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -3.126 3.826 9.192 1.00 0.00 H new ATOM 0 HG LEU A 960 -2.868 5.527 10.911 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -1.237 4.366 12.357 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -2.273 3.220 11.474 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -0.601 3.505 10.936 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -0.682 6.557 11.385 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -0.013 5.794 9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -1.299 7.015 9.779 1.00 0.00 H new ATOM 646 N ALA A 961 -1.873 3.097 6.140 1.00 0.00 N ATOM 647 CA ALA A 961 -2.373 2.128 5.178 1.00 0.00 C ATOM 648 C ALA A 961 -1.425 0.950 5.040 1.00 0.00 C ATOM 649 O ALA A 961 -1.819 -0.192 5.279 1.00 0.00 O ATOM 650 CB ALA A 961 -2.581 2.775 3.828 1.00 0.00 C ATOM 0 H ALA A 961 -1.658 4.012 5.743 1.00 0.00 H new ATOM 0 HA ALA A 961 -3.330 1.761 5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -2.955 2.033 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.304 3.585 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -1.634 3.174 3.466 1.00 0.00 H new ATOM 656 N LEU A 962 -0.172 1.224 4.679 1.00 0.00 N ATOM 657 CA LEU A 962 0.813 0.168 4.539 1.00 0.00 C ATOM 658 C LEU A 962 1.158 -0.427 5.905 1.00 0.00 C ATOM 659 O LEU A 962 1.444 -1.612 6.006 1.00 0.00 O ATOM 660 CB LEU A 962 2.061 0.689 3.805 1.00 0.00 C ATOM 661 CG LEU A 962 3.319 -0.179 3.942 1.00 0.00 C ATOM 662 CD1 LEU A 962 3.152 -1.496 3.202 1.00 0.00 C ATOM 663 CD2 LEU A 962 4.545 0.566 3.436 1.00 0.00 C ATOM 0 H LEU A 962 0.177 2.162 4.481 1.00 0.00 H new ATOM 0 HA LEU A 962 0.390 -0.633 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 962 1.823 0.788 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.288 1.688 4.176 1.00 0.00 H new ATOM 0 HG LEU A 962 3.463 -0.399 5.000 1.00 0.00 H new ATOM 0 HD11 LEU A 962 4.057 -2.094 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 962 2.304 -2.041 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 962 2.976 -1.299 2.144 1.00 0.00 H new ATOM 0 HD21 LEU A 962 5.425 -0.068 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 962 4.407 0.822 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 962 4.682 1.478 4.017 1.00 0.00 H new ATOM 675 N ARG A 963 1.125 0.391 6.957 1.00 0.00 N ATOM 676 CA ARG A 963 1.319 -0.103 8.324 1.00 0.00 C ATOM 677 C ARG A 963 0.296 -1.187 8.689 1.00 0.00 C ATOM 678 O ARG A 963 0.666 -2.313 9.027 1.00 0.00 O ATOM 679 CB ARG A 963 1.216 1.058 9.317 1.00 0.00 C ATOM 680 CG ARG A 963 1.593 0.682 10.740 1.00 0.00 C ATOM 681 CD ARG A 963 3.053 0.277 10.829 1.00 0.00 C ATOM 682 NE ARG A 963 3.401 -0.246 12.146 1.00 0.00 N ATOM 683 CZ ARG A 963 4.549 -0.870 12.413 1.00 0.00 C ATOM 684 NH1 ARG A 963 5.494 -0.954 11.482 1.00 0.00 N ATOM 685 NH2 ARG A 963 4.768 -1.369 13.623 1.00 0.00 N ATOM 0 H ARG A 963 0.966 1.396 6.891 1.00 0.00 H new ATOM 0 HA ARG A 963 2.312 -0.549 8.377 1.00 0.00 H new ATOM 0 HB2 ARG A 963 1.862 1.869 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 963 0.195 1.440 9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 963 1.405 1.525 11.404 1.00 0.00 H new ATOM 0 HG3 ARG A 963 0.963 -0.139 11.082 1.00 0.00 H new ATOM 0 HD2 ARG A 963 3.265 -0.478 10.072 1.00 0.00 H new ATOM 0 HD3 ARG A 963 3.682 1.139 10.605 1.00 0.00 H new ATOM 0 HE ARG A 963 2.729 -0.128 12.904 1.00 0.00 H new ATOM 0 HH11 ARG A 963 5.342 -0.541 10.562 1.00 0.00 H new ATOM 0 HH12 ARG A 963 6.372 -1.432 11.688 1.00 0.00 H new ATOM 0 HH21 ARG A 963 4.058 -1.275 14.349 1.00 0.00 H new ATOM 0 HH22 ARG A 963 5.646 -1.846 13.827 1.00 0.00 H new ATOM 699 N THR A 964 -0.984 -0.833 8.653 1.00 0.00 N ATOM 700 CA THR A 964 -2.054 -1.803 8.892 1.00 0.00 C ATOM 701 C THR A 964 -1.920 -2.991 7.930 1.00 0.00 C ATOM 702 O THR A 964 -2.186 -4.148 8.280 1.00 0.00 O ATOM 703 CB THR A 964 -3.442 -1.150 8.726 1.00 0.00 C ATOM 704 OG1 THR A 964 -3.507 0.061 9.494 1.00 0.00 O ATOM 705 CG2 THR A 964 -4.550 -2.091 9.180 1.00 0.00 C ATOM 0 H THR A 964 -1.308 0.115 8.461 1.00 0.00 H new ATOM 0 HA THR A 964 -1.961 -2.159 9.918 1.00 0.00 H new ATOM 0 HB THR A 964 -3.585 -0.928 7.668 1.00 0.00 H new ATOM 0 HG1 THR A 964 -3.064 0.784 9.003 1.00 0.00 H new ATOM 0 HG21 THR A 964 -5.517 -1.604 9.051 1.00 0.00 H new ATOM 0 HG22 THR A 964 -4.521 -3.002 8.583 1.00 0.00 H new ATOM 0 HG23 THR A 964 -4.407 -2.341 10.231 1.00 0.00 H new ATOM 713 N LEU A 965 -1.467 -2.683 6.725 1.00 0.00 N ATOM 714 CA LEU A 965 -1.211 -3.683 5.703 1.00 0.00 C ATOM 715 C LEU A 965 -0.077 -4.624 6.140 1.00 0.00 C ATOM 716 O LEU A 965 -0.057 -5.796 5.773 1.00 0.00 O ATOM 717 CB LEU A 965 -0.903 -2.955 4.382 1.00 0.00 C ATOM 718 CG LEU A 965 -0.530 -3.812 3.173 1.00 0.00 C ATOM 719 CD1 LEU A 965 0.925 -4.229 3.252 1.00 0.00 C ATOM 720 CD2 LEU A 965 -1.439 -5.027 3.068 1.00 0.00 C ATOM 0 H LEU A 965 -1.266 -1.728 6.428 1.00 0.00 H new ATOM 0 HA LEU A 965 -2.087 -4.314 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -1.776 -2.359 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -0.085 -2.258 4.565 1.00 0.00 H new ATOM 0 HG LEU A 965 -0.668 -3.215 2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 965 1.176 -4.839 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 965 1.558 -3.341 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 965 1.089 -4.807 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -1.154 -5.621 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.343 -5.632 3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -2.473 -4.700 2.959 1.00 0.00 H new ATOM 732 N LEU A 966 0.837 -4.116 6.959 1.00 0.00 N ATOM 733 CA LEU A 966 1.964 -4.911 7.443 1.00 0.00 C ATOM 734 C LEU A 966 1.482 -6.015 8.373 1.00 0.00 C ATOM 735 O LEU A 966 2.105 -7.071 8.467 1.00 0.00 O ATOM 736 CB LEU A 966 3.003 -4.042 8.157 1.00 0.00 C ATOM 737 CG LEU A 966 3.751 -3.045 7.267 1.00 0.00 C ATOM 738 CD1 LEU A 966 4.727 -2.222 8.093 1.00 0.00 C ATOM 739 CD2 LEU A 966 4.482 -3.771 6.147 1.00 0.00 C ATOM 0 H LEU A 966 0.821 -3.156 7.303 1.00 0.00 H new ATOM 0 HA LEU A 966 2.441 -5.361 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 966 2.504 -3.489 8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 966 3.733 -4.696 8.633 1.00 0.00 H new ATOM 0 HG LEU A 966 3.022 -2.370 6.820 1.00 0.00 H new ATOM 0 HD11 LEU A 966 5.250 -1.519 7.445 1.00 0.00 H new ATOM 0 HD12 LEU A 966 4.181 -1.672 8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 966 5.451 -2.885 8.568 1.00 0.00 H new ATOM 0 HD21 LEU A 966 5.007 -3.046 5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.200 -4.470 6.575 1.00 0.00 H new ATOM 0 HD23 LEU A 966 3.763 -4.318 5.537 1.00 0.00 H new ATOM 751 N ALA A 967 0.371 -5.771 9.056 1.00 0.00 N ATOM 752 CA ALA A 967 -0.271 -6.819 9.845 1.00 0.00 C ATOM 753 C ALA A 967 -0.744 -7.941 8.916 1.00 0.00 C ATOM 754 O ALA A 967 -0.568 -9.129 9.200 1.00 0.00 O ATOM 755 CB ALA A 967 -1.431 -6.254 10.649 1.00 0.00 C ATOM 0 H ALA A 967 -0.102 -4.867 9.081 1.00 0.00 H new ATOM 0 HA ALA A 967 0.452 -7.227 10.552 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.894 -7.052 11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -1.064 -5.481 11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -2.168 -5.823 9.971 1.00 0.00 H new ATOM 761 N THR A 968 -1.326 -7.544 7.792 1.00 0.00 N ATOM 762 CA THR A 968 -1.672 -8.485 6.735 1.00 0.00 C ATOM 763 C THR A 968 -0.417 -9.163 6.173 1.00 0.00 C ATOM 764 O THR A 968 -0.415 -10.363 5.887 1.00 0.00 O ATOM 765 CB THR A 968 -2.449 -7.778 5.611 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.823 -7.663 5.984 1.00 0.00 O ATOM 767 CG2 THR A 968 -2.338 -8.521 4.295 1.00 0.00 C ATOM 0 H THR A 968 -1.569 -6.574 7.589 1.00 0.00 H new ATOM 0 HA THR A 968 -2.312 -9.255 7.166 1.00 0.00 H new ATOM 0 HB THR A 968 -2.013 -6.789 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 968 -4.388 -8.001 5.258 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.901 -7.989 3.528 1.00 0.00 H new ATOM 0 HG22 THR A 968 -1.291 -8.583 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.743 -9.527 4.410 1.00 0.00 H new ATOM 775 N VAL A 969 0.643 -8.386 6.021 1.00 0.00 N ATOM 776 CA VAL A 969 1.938 -8.911 5.603 1.00 0.00 C ATOM 777 C VAL A 969 2.408 -10.028 6.534 1.00 0.00 C ATOM 778 O VAL A 969 3.081 -10.952 6.101 1.00 0.00 O ATOM 779 CB VAL A 969 3.011 -7.798 5.541 1.00 0.00 C ATOM 780 CG1 VAL A 969 4.403 -8.377 5.345 1.00 0.00 C ATOM 781 CG2 VAL A 969 2.694 -6.825 4.423 1.00 0.00 C ATOM 0 H VAL A 969 0.633 -7.379 6.182 1.00 0.00 H new ATOM 0 HA VAL A 969 1.805 -9.319 4.601 1.00 0.00 H new ATOM 0 HB VAL A 969 2.996 -7.270 6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.132 -7.567 5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 969 4.642 -9.040 6.177 1.00 0.00 H new ATOM 0 HG13 VAL A 969 4.435 -8.939 4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 969 3.457 -6.047 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 969 2.677 -7.357 3.472 1.00 0.00 H new ATOM 0 HG23 VAL A 969 1.720 -6.370 4.602 1.00 0.00 H new ATOM 791 N ASP A 970 2.035 -9.953 7.805 1.00 0.00 N ATOM 792 CA ASP A 970 2.432 -10.971 8.779 1.00 0.00 C ATOM 793 C ASP A 970 1.640 -12.252 8.580 1.00 0.00 C ATOM 794 O ASP A 970 2.073 -13.318 8.980 1.00 0.00 O ATOM 795 CB ASP A 970 2.265 -10.441 10.207 1.00 0.00 C ATOM 796 CG ASP A 970 2.920 -11.324 11.250 1.00 0.00 C ATOM 797 OD1 ASP A 970 4.124 -11.128 11.522 1.00 0.00 O ATOM 798 OD2 ASP A 970 2.231 -12.194 11.826 1.00 0.00 O ATOM 0 H ASP A 970 1.460 -9.202 8.188 1.00 0.00 H new ATOM 0 HA ASP A 970 3.485 -11.202 8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 970 2.691 -9.439 10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.202 -10.350 10.432 1.00 0.00 H new ATOM 803 N GLU A 971 0.486 -12.134 7.956 1.00 0.00 N ATOM 804 CA GLU A 971 -0.258 -13.307 7.500 1.00 0.00 C ATOM 805 C GLU A 971 0.458 -13.925 6.306 1.00 0.00 C ATOM 806 O GLU A 971 0.685 -15.143 6.218 1.00 0.00 O ATOM 807 CB GLU A 971 -1.668 -12.904 7.101 1.00 0.00 C ATOM 808 CG GLU A 971 -2.461 -12.318 8.242 1.00 0.00 C ATOM 809 CD GLU A 971 -2.811 -13.359 9.287 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.474 -14.360 8.933 1.00 0.00 O ATOM 811 OE2 GLU A 971 -2.423 -13.188 10.463 1.00 0.00 O ATOM 0 H GLU A 971 0.037 -11.242 7.750 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.314 -14.036 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.616 -12.176 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -2.193 -13.777 6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.888 -11.516 8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -3.377 -11.871 7.855 1.00 0.00 H new ATOM 818 N SER A 972 0.828 -13.057 5.393 1.00 0.00 N ATOM 819 CA SER A 972 1.566 -13.441 4.220 1.00 0.00 C ATOM 820 C SER A 972 2.963 -13.935 4.601 1.00 0.00 C ATOM 821 O SER A 972 3.581 -14.676 3.859 1.00 0.00 O ATOM 822 CB SER A 972 1.624 -12.267 3.247 1.00 0.00 C ATOM 823 OG SER A 972 2.239 -12.642 2.030 1.00 0.00 O ATOM 0 H SER A 972 0.622 -12.059 5.447 1.00 0.00 H new ATOM 0 HA SER A 972 1.058 -14.269 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.615 -11.903 3.051 1.00 0.00 H new ATOM 0 HB3 SER A 972 2.177 -11.444 3.699 1.00 0.00 H new ATOM 0 HG SER A 972 2.635 -11.852 1.606 1.00 0.00 H new ATOM 829 N LEU A 973 3.461 -13.491 5.747 1.00 0.00 N ATOM 830 CA LEU A 973 4.799 -13.850 6.204 1.00 0.00 C ATOM 831 C LEU A 973 4.961 -15.364 6.395 1.00 0.00 C ATOM 832 O LEU A 973 5.924 -15.918 5.892 1.00 0.00 O ATOM 833 CB LEU A 973 5.155 -13.093 7.489 1.00 0.00 C ATOM 834 CG LEU A 973 6.592 -13.267 7.974 1.00 0.00 C ATOM 835 CD1 LEU A 973 7.570 -12.777 6.914 1.00 0.00 C ATOM 836 CD2 LEU A 973 6.799 -12.519 9.279 1.00 0.00 C ATOM 0 H LEU A 973 2.954 -12.876 6.383 1.00 0.00 H new ATOM 0 HA LEU A 973 5.497 -13.553 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 973 4.970 -12.031 7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 973 4.480 -13.418 8.281 1.00 0.00 H new ATOM 0 HG LEU A 973 6.778 -14.327 8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 973 8.591 -12.907 7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 973 7.432 -13.351 5.998 1.00 0.00 H new ATOM 0 HD13 LEU A 973 7.388 -11.722 6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 973 7.828 -12.651 9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 973 6.600 -11.458 9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 973 6.118 -12.910 10.035 1.00 0.00 H new ATOM 848 N PRO A 974 4.059 -16.079 7.116 1.00 0.00 N ATOM 849 CA PRO A 974 4.079 -17.548 7.111 1.00 0.00 C ATOM 850 C PRO A 974 3.924 -18.088 5.695 1.00 0.00 C ATOM 851 O PRO A 974 4.435 -19.161 5.351 1.00 0.00 O ATOM 852 CB PRO A 974 2.874 -17.941 7.968 1.00 0.00 C ATOM 853 CG PRO A 974 2.644 -16.765 8.839 1.00 0.00 C ATOM 854 CD PRO A 974 3.028 -15.570 8.013 1.00 0.00 C ATOM 0 HA PRO A 974 5.017 -17.952 7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 974 2.001 -18.156 7.352 1.00 0.00 H new ATOM 0 HB3 PRO A 974 3.079 -18.837 8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 974 1.602 -16.707 9.152 1.00 0.00 H new ATOM 0 HG3 PRO A 974 3.246 -16.825 9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 974 2.175 -15.177 7.459 1.00 0.00 H new ATOM 0 HD3 PRO A 974 3.405 -14.759 8.636 1.00 0.00 H new ATOM 862 N VAL A 975 3.246 -17.314 4.855 1.00 0.00 N ATOM 863 CA VAL A 975 3.108 -17.694 3.448 1.00 0.00 C ATOM 864 C VAL A 975 4.426 -17.461 2.695 1.00 0.00 C ATOM 865 O VAL A 975 4.633 -17.980 1.604 1.00 0.00 O ATOM 866 CB VAL A 975 1.967 -16.919 2.758 1.00 0.00 C ATOM 867 CG1 VAL A 975 1.775 -17.415 1.340 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.674 -17.046 3.549 1.00 0.00 C ATOM 0 H VAL A 975 2.791 -16.438 5.112 1.00 0.00 H new ATOM 0 HA VAL A 975 2.861 -18.755 3.421 1.00 0.00 H new ATOM 0 HB VAL A 975 2.241 -15.865 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 975 0.966 -16.858 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.696 -17.268 0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 975 1.524 -18.476 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -0.117 -16.492 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.393 -18.097 3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 975 0.819 -16.641 4.550 1.00 0.00 H new ATOM 878 N LEU A 976 5.317 -16.692 3.296 1.00 0.00 N ATOM 879 CA LEU A 976 6.615 -16.382 2.700 1.00 0.00 C ATOM 880 C LEU A 976 7.524 -17.614 2.621 1.00 0.00 C ATOM 881 O LEU A 976 8.011 -17.920 1.534 1.00 0.00 O ATOM 882 CB LEU A 976 7.265 -15.185 3.425 1.00 0.00 C ATOM 883 CG LEU A 976 8.754 -14.934 3.171 1.00 0.00 C ATOM 884 CD1 LEU A 976 9.028 -13.439 3.109 1.00 0.00 C ATOM 885 CD2 LEU A 976 9.600 -15.555 4.271 1.00 0.00 C ATOM 0 H LEU A 976 5.166 -16.263 4.209 1.00 0.00 H new ATOM 0 HA LEU A 976 6.457 -16.081 1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 976 6.719 -14.284 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 976 7.124 -15.323 4.497 1.00 0.00 H new ATOM 0 HG LEU A 976 9.019 -15.394 2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 976 10.090 -13.271 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 976 8.447 -12.996 2.300 1.00 0.00 H new ATOM 0 HD13 LEU A 976 8.744 -12.977 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 976 10.654 -15.365 4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 976 9.328 -15.116 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 976 9.425 -16.630 4.301 1.00 0.00 H new ATOM 897 N PRO A 977 7.764 -18.364 3.726 1.00 0.00 N ATOM 898 CA PRO A 977 8.494 -19.632 3.638 1.00 0.00 C ATOM 899 C PRO A 977 7.747 -20.623 2.759 1.00 0.00 C ATOM 900 O PRO A 977 8.351 -21.485 2.116 1.00 0.00 O ATOM 901 CB PRO A 977 8.553 -20.139 5.084 1.00 0.00 C ATOM 902 CG PRO A 977 8.310 -18.935 5.918 1.00 0.00 C ATOM 903 CD PRO A 977 7.394 -18.064 5.114 1.00 0.00 C ATOM 0 HA PRO A 977 9.483 -19.510 3.196 1.00 0.00 H new ATOM 0 HB2 PRO A 977 7.799 -20.905 5.266 1.00 0.00 H new ATOM 0 HB3 PRO A 977 9.522 -20.586 5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 977 7.857 -19.204 6.872 1.00 0.00 H new ATOM 0 HG3 PRO A 977 9.244 -18.419 6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.347 -18.296 5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 977 7.536 -17.009 5.348 1.00 0.00 H new ATOM 911 N ALA A 978 6.423 -20.485 2.731 1.00 0.00 N ATOM 912 CA ALA A 978 5.591 -21.315 1.877 1.00 0.00 C ATOM 913 C ALA A 978 5.846 -21.024 0.396 1.00 0.00 C ATOM 914 O ALA A 978 6.248 -21.914 -0.352 1.00 0.00 O ATOM 915 CB ALA A 978 4.119 -21.123 2.209 1.00 0.00 C ATOM 0 H ALA A 978 5.908 -19.806 3.291 1.00 0.00 H new ATOM 0 HA ALA A 978 5.858 -22.355 2.066 1.00 0.00 H new ATOM 0 HB1 ALA A 978 3.514 -21.754 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 978 3.941 -21.399 3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.845 -20.079 2.059 1.00 0.00 H new ATOM 921 N SER A 979 5.630 -19.778 -0.027 1.00 0.00 N ATOM 922 CA SER A 979 5.706 -19.433 -1.447 1.00 0.00 C ATOM 923 C SER A 979 5.819 -17.917 -1.697 1.00 0.00 C ATOM 924 O SER A 979 6.555 -17.485 -2.586 1.00 0.00 O ATOM 925 CB SER A 979 4.467 -19.973 -2.170 1.00 0.00 C ATOM 926 OG SER A 979 4.453 -21.390 -2.193 1.00 0.00 O ATOM 0 H SER A 979 5.403 -18.996 0.588 1.00 0.00 H new ATOM 0 HA SER A 979 6.616 -19.891 -1.836 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.568 -19.608 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 979 4.446 -19.592 -3.191 1.00 0.00 H new ATOM 0 HG SER A 979 5.289 -21.732 -1.813 1.00 0.00 H new ATOM 932 N THR A 980 5.097 -17.116 -0.916 1.00 0.00 N ATOM 933 CA THR A 980 4.953 -15.680 -1.197 1.00 0.00 C ATOM 934 C THR A 980 6.275 -14.909 -1.159 1.00 0.00 C ATOM 935 O THR A 980 6.331 -13.789 -1.653 1.00 0.00 O ATOM 936 CB THR A 980 3.935 -14.976 -0.280 1.00 0.00 C ATOM 937 OG1 THR A 980 3.471 -13.784 -0.919 1.00 0.00 O ATOM 938 CG2 THR A 980 4.553 -14.595 1.046 1.00 0.00 C ATOM 0 H THR A 980 4.601 -17.432 -0.083 1.00 0.00 H new ATOM 0 HA THR A 980 4.574 -15.660 -2.219 1.00 0.00 H new ATOM 0 HB THR A 980 3.114 -15.669 -0.098 1.00 0.00 H new ATOM 0 HG1 THR A 980 4.220 -13.343 -1.372 1.00 0.00 H new ATOM 0 HG21 THR A 980 3.806 -14.101 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 980 4.910 -15.492 1.552 1.00 0.00 H new ATOM 0 HG23 THR A 980 5.390 -13.917 0.876 1.00 0.00 H new ATOM 946 N HIS A 981 7.324 -15.497 -0.573 1.00 0.00 N ATOM 947 CA HIS A 981 8.635 -14.833 -0.427 1.00 0.00 C ATOM 948 C HIS A 981 9.111 -14.201 -1.742 1.00 0.00 C ATOM 949 O HIS A 981 9.928 -13.288 -1.734 1.00 0.00 O ATOM 950 CB HIS A 981 9.675 -15.867 0.048 1.00 0.00 C ATOM 951 CG HIS A 981 11.073 -15.337 0.234 1.00 0.00 C ATOM 952 ND1 HIS A 981 11.576 -14.950 1.456 1.00 0.00 N ATOM 953 CD2 HIS A 981 12.078 -15.157 -0.654 1.00 0.00 C ATOM 954 CE1 HIS A 981 12.826 -14.556 1.310 1.00 0.00 C ATOM 955 NE2 HIS A 981 13.157 -14.671 0.041 1.00 0.00 N ATOM 0 H HIS A 981 7.294 -16.441 -0.187 1.00 0.00 H new ATOM 0 HA HIS A 981 8.525 -14.032 0.305 1.00 0.00 H new ATOM 0 HB2 HIS A 981 9.336 -16.290 0.994 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.707 -16.683 -0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 981 12.038 -15.359 -1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 981 13.470 -14.199 2.100 1.00 0.00 H new ATOM 0 HE2 HIS A 981 14.066 -14.437 -0.360 1.00 0.00 H new ATOM 964 N ARG A 982 8.588 -14.668 -2.857 1.00 0.00 N ATOM 965 CA ARG A 982 8.932 -14.065 -4.138 1.00 0.00 C ATOM 966 C ARG A 982 8.165 -12.751 -4.333 1.00 0.00 C ATOM 967 O ARG A 982 8.757 -11.687 -4.549 1.00 0.00 O ATOM 968 CB ARG A 982 8.619 -15.019 -5.295 1.00 0.00 C ATOM 969 CG ARG A 982 8.966 -14.443 -6.660 1.00 0.00 C ATOM 970 CD ARG A 982 10.470 -14.319 -6.844 1.00 0.00 C ATOM 971 NE ARG A 982 11.092 -15.619 -7.082 1.00 0.00 N ATOM 972 CZ ARG A 982 12.233 -16.023 -6.525 1.00 0.00 C ATOM 973 NH1 ARG A 982 12.851 -15.271 -5.622 1.00 0.00 N ATOM 974 NH2 ARG A 982 12.736 -17.204 -6.851 1.00 0.00 N ATOM 0 H ARG A 982 7.934 -15.449 -2.909 1.00 0.00 H new ATOM 0 HA ARG A 982 10.003 -13.860 -4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 982 9.170 -15.948 -5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 982 7.559 -15.270 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 982 8.554 -15.081 -7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 982 8.502 -13.463 -6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 982 10.681 -13.655 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 982 10.909 -13.862 -5.957 1.00 0.00 H new ATOM 0 HE ARG A 982 10.620 -16.262 -7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 982 12.453 -14.373 -5.347 1.00 0.00 H new ATOM 0 HH12 ARG A 982 13.724 -15.591 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 982 12.250 -17.797 -7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 982 13.609 -17.521 -6.429 1.00 0.00 H new ATOM 988 N GLU A 983 6.846 -12.824 -4.211 1.00 0.00 N ATOM 989 CA GLU A 983 5.995 -11.669 -4.456 1.00 0.00 C ATOM 990 C GLU A 983 6.022 -10.680 -3.307 1.00 0.00 C ATOM 991 O GLU A 983 6.137 -9.477 -3.521 1.00 0.00 O ATOM 992 CB GLU A 983 4.555 -12.100 -4.686 1.00 0.00 C ATOM 993 CG GLU A 983 3.864 -11.290 -5.761 1.00 0.00 C ATOM 994 CD GLU A 983 3.457 -12.162 -6.927 1.00 0.00 C ATOM 995 OE1 GLU A 983 2.555 -13.004 -6.746 1.00 0.00 O ATOM 996 OE2 GLU A 983 4.063 -12.048 -8.012 1.00 0.00 O ATOM 0 H GLU A 983 6.343 -13.670 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 983 6.391 -11.181 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.536 -13.154 -4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 983 3.999 -12.006 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 983 2.983 -10.803 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 983 4.530 -10.500 -6.109 1.00 0.00 H new ATOM 1003 N ILE A 984 5.893 -11.179 -2.089 1.00 0.00 N ATOM 1004 CA ILE A 984 5.783 -10.307 -0.935 1.00 0.00 C ATOM 1005 C ILE A 984 6.999 -9.392 -0.848 1.00 0.00 C ATOM 1006 O ILE A 984 6.884 -8.238 -0.456 1.00 0.00 O ATOM 1007 CB ILE A 984 5.595 -11.100 0.380 1.00 0.00 C ATOM 1008 CG1 ILE A 984 5.252 -10.151 1.531 1.00 0.00 C ATOM 1009 CG2 ILE A 984 6.846 -11.904 0.712 1.00 0.00 C ATOM 1010 CD1 ILE A 984 5.028 -10.855 2.852 1.00 0.00 C ATOM 0 H ILE A 984 5.862 -12.176 -1.876 1.00 0.00 H new ATOM 0 HA ILE A 984 4.889 -9.697 -1.068 1.00 0.00 H new ATOM 0 HB ILE A 984 4.768 -11.796 0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 984 6.059 -9.428 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 984 4.355 -9.589 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.690 -12.453 1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.051 -12.607 -0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.693 -11.228 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 984 4.789 -10.120 3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 984 4.201 -11.558 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 984 5.932 -11.395 3.135 1.00 0.00 H new ATOM 1022 N GLU A 985 8.150 -9.893 -1.276 1.00 0.00 N ATOM 1023 CA GLU A 985 9.352 -9.083 -1.285 1.00 0.00 C ATOM 1024 C GLU A 985 9.305 -8.031 -2.389 1.00 0.00 C ATOM 1025 O GLU A 985 9.804 -6.919 -2.199 1.00 0.00 O ATOM 1026 CB GLU A 985 10.611 -9.937 -1.436 1.00 0.00 C ATOM 1027 CG GLU A 985 10.929 -10.782 -0.216 1.00 0.00 C ATOM 1028 CD GLU A 985 12.367 -11.256 -0.207 1.00 0.00 C ATOM 1029 OE1 GLU A 985 12.761 -12.000 -1.128 1.00 0.00 O ATOM 1030 OE2 GLU A 985 13.119 -10.867 0.716 1.00 0.00 O ATOM 0 H GLU A 985 8.273 -10.846 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 985 9.395 -8.577 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 985 10.493 -10.592 -2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 985 11.458 -9.284 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 985 10.734 -10.202 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 985 10.264 -11.645 -0.191 1.00 0.00 H new ATOM 1037 N MET A 986 8.704 -8.369 -3.539 1.00 0.00 N ATOM 1038 CA MET A 986 8.692 -7.440 -4.668 1.00 0.00 C ATOM 1039 C MET A 986 7.962 -6.133 -4.322 1.00 0.00 C ATOM 1040 O MET A 986 8.575 -5.066 -4.325 1.00 0.00 O ATOM 1041 CB MET A 986 8.138 -8.073 -5.967 1.00 0.00 C ATOM 1042 CG MET A 986 6.629 -8.255 -6.028 1.00 0.00 C ATOM 1043 SD MET A 986 6.050 -8.734 -7.665 1.00 0.00 S ATOM 1044 CE MET A 986 6.913 -10.288 -7.894 1.00 0.00 C ATOM 0 H MET A 986 8.232 -9.257 -3.706 1.00 0.00 H new ATOM 0 HA MET A 986 9.735 -7.195 -4.868 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.444 -7.452 -6.809 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.608 -9.047 -6.102 1.00 0.00 H new ATOM 0 HG2 MET A 986 6.330 -9.014 -5.305 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.143 -7.325 -5.733 1.00 0.00 H new ATOM 0 HE1 MET A 986 7.582 -10.210 -8.751 1.00 0.00 H new ATOM 0 HE2 MET A 986 7.494 -10.517 -7.000 1.00 0.00 H new ATOM 0 HE3 MET A 986 6.189 -11.084 -8.070 1.00 0.00 H new ATOM 1054 N ALA A 987 6.674 -6.209 -3.993 1.00 0.00 N ATOM 1055 CA ALA A 987 5.876 -5.012 -3.780 1.00 0.00 C ATOM 1056 C ALA A 987 6.068 -4.421 -2.387 1.00 0.00 C ATOM 1057 O ALA A 987 6.041 -3.214 -2.238 1.00 0.00 O ATOM 1058 CB ALA A 987 4.406 -5.273 -4.060 1.00 0.00 C ATOM 0 H ALA A 987 6.166 -7.085 -3.869 1.00 0.00 H new ATOM 0 HA ALA A 987 6.235 -4.269 -4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.836 -4.359 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.284 -5.592 -5.095 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.042 -6.055 -3.394 1.00 0.00 H new ATOM 1064 N GLN A 988 6.264 -5.251 -1.364 1.00 0.00 N ATOM 1065 CA GLN A 988 6.372 -4.725 0.000 1.00 0.00 C ATOM 1066 C GLN A 988 7.598 -3.830 0.152 1.00 0.00 C ATOM 1067 O GLN A 988 7.504 -2.725 0.687 1.00 0.00 O ATOM 1068 CB GLN A 988 6.426 -5.834 1.048 1.00 0.00 C ATOM 1069 CG GLN A 988 6.667 -5.300 2.452 1.00 0.00 C ATOM 1070 CD GLN A 988 6.994 -6.381 3.457 1.00 0.00 C ATOM 1071 OE1 GLN A 988 7.541 -7.425 3.111 1.00 0.00 O ATOM 1072 NE2 GLN A 988 6.690 -6.121 4.716 1.00 0.00 N ATOM 0 H GLN A 988 6.350 -6.264 -1.446 1.00 0.00 H new ATOM 0 HA GLN A 988 5.470 -4.137 0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 988 5.489 -6.391 1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 988 7.219 -6.536 0.789 1.00 0.00 H new ATOM 0 HG2 GLN A 988 7.486 -4.581 2.424 1.00 0.00 H new ATOM 0 HG3 GLN A 988 5.780 -4.761 2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 988 6.236 -5.241 4.960 1.00 0.00 H new ATOM 0 HE22 GLN A 988 6.910 -6.800 5.444 1.00 0.00 H new ATOM 1081 N LYS A 989 8.749 -4.299 -0.322 1.00 0.00 N ATOM 1082 CA LYS A 989 9.960 -3.491 -0.250 1.00 0.00 C ATOM 1083 C LYS A 989 9.812 -2.309 -1.194 1.00 0.00 C ATOM 1084 O LYS A 989 10.375 -1.234 -0.976 1.00 0.00 O ATOM 1085 CB LYS A 989 11.204 -4.295 -0.625 1.00 0.00 C ATOM 1086 CG LYS A 989 12.494 -3.555 -0.311 1.00 0.00 C ATOM 1087 CD LYS A 989 13.667 -4.060 -1.134 1.00 0.00 C ATOM 1088 CE LYS A 989 13.442 -3.819 -2.618 1.00 0.00 C ATOM 1089 NZ LYS A 989 14.705 -3.919 -3.390 1.00 0.00 N ATOM 0 H LYS A 989 8.868 -5.216 -0.752 1.00 0.00 H new ATOM 0 HA LYS A 989 10.088 -3.151 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 989 11.194 -5.244 -0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 989 11.174 -4.530 -1.689 1.00 0.00 H new ATOM 0 HG2 LYS A 989 12.354 -2.490 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 989 12.724 -3.664 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 989 14.581 -3.558 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 989 13.809 -5.125 -0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 989 12.724 -4.545 -2.999 1.00 0.00 H new ATOM 0 HE3 LYS A 989 13.004 -2.831 -2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 14.511 -3.749 -4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 15.381 -3.209 -3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 15.110 -4.870 -3.272 1.00 0.00 H new ATOM 1103 N LEU A 990 9.018 -2.526 -2.232 1.00 0.00 N ATOM 1104 CA LEU A 990 8.693 -1.498 -3.194 1.00 0.00 C ATOM 1105 C LEU A 990 7.921 -0.387 -2.487 1.00 0.00 C ATOM 1106 O LEU A 990 8.245 0.789 -2.624 1.00 0.00 O ATOM 1107 CB LEU A 990 7.902 -2.168 -4.330 1.00 0.00 C ATOM 1108 CG LEU A 990 7.046 -1.292 -5.239 1.00 0.00 C ATOM 1109 CD1 LEU A 990 7.860 -0.149 -5.824 1.00 0.00 C ATOM 1110 CD2 LEU A 990 6.470 -2.145 -6.350 1.00 0.00 C ATOM 0 H LEU A 990 8.582 -3.427 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 990 9.577 -1.032 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 990 8.614 -2.701 -4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 990 7.249 -2.917 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 990 6.238 -0.857 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 990 7.224 0.459 -6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 990 8.254 0.468 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 990 8.687 -0.553 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 990 5.857 -1.525 -7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.282 -2.588 -6.927 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.856 -2.937 -5.920 1.00 0.00 H new ATOM 1122 N LEU A 991 6.989 -0.801 -1.639 1.00 0.00 N ATOM 1123 CA LEU A 991 6.146 0.114 -0.879 1.00 0.00 C ATOM 1124 C LEU A 991 6.951 0.865 0.145 1.00 0.00 C ATOM 1125 O LEU A 991 6.634 1.999 0.490 1.00 0.00 O ATOM 1126 CB LEU A 991 5.055 -0.662 -0.158 1.00 0.00 C ATOM 1127 CG LEU A 991 4.115 -1.410 -1.075 1.00 0.00 C ATOM 1128 CD1 LEU A 991 3.145 -2.255 -0.274 1.00 0.00 C ATOM 1129 CD2 LEU A 991 3.373 -0.419 -1.941 1.00 0.00 C ATOM 0 H LEU A 991 6.795 -1.786 -1.458 1.00 0.00 H new ATOM 0 HA LEU A 991 5.707 0.822 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 991 5.521 -1.373 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.475 0.031 0.452 1.00 0.00 H new ATOM 0 HG LEU A 991 4.691 -2.082 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 991 2.477 -2.785 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 991 3.700 -2.976 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 991 2.559 -1.612 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.693 -0.953 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.803 0.261 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 991 4.087 0.151 -2.535 1.00 0.00 H new ATOM 1141 N ASN A 992 7.986 0.219 0.648 1.00 0.00 N ATOM 1142 CA ASN A 992 8.832 0.824 1.651 1.00 0.00 C ATOM 1143 C ASN A 992 9.373 2.137 1.114 1.00 0.00 C ATOM 1144 O ASN A 992 9.284 3.171 1.767 1.00 0.00 O ATOM 1145 CB ASN A 992 9.973 -0.133 2.016 1.00 0.00 C ATOM 1146 CG ASN A 992 10.724 0.276 3.268 1.00 0.00 C ATOM 1147 OD1 ASN A 992 10.858 1.458 3.582 1.00 0.00 O ATOM 1148 ND2 ASN A 992 11.215 -0.712 4.001 1.00 0.00 N ATOM 0 H ASN A 992 8.259 -0.726 0.376 1.00 0.00 H new ATOM 0 HA ASN A 992 8.257 1.023 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 992 9.567 -1.135 2.156 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.673 -0.187 1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 992 11.725 -0.505 4.860 1.00 0.00 H new ATOM 0 HD22 ASN A 992 11.083 -1.680 3.707 1.00 0.00 H new ATOM 1155 N SER A 993 9.867 2.096 -0.112 1.00 0.00 N ATOM 1156 CA SER A 993 10.448 3.267 -0.733 1.00 0.00 C ATOM 1157 C SER A 993 9.387 4.269 -1.221 1.00 0.00 C ATOM 1158 O SER A 993 9.629 5.474 -1.176 1.00 0.00 O ATOM 1159 CB SER A 993 11.374 2.835 -1.871 1.00 0.00 C ATOM 1160 OG SER A 993 10.917 1.632 -2.468 1.00 0.00 O ATOM 0 H SER A 993 9.876 1.260 -0.696 1.00 0.00 H new ATOM 0 HA SER A 993 11.029 3.794 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 993 11.424 3.622 -2.623 1.00 0.00 H new ATOM 0 HB3 SER A 993 12.385 2.695 -1.489 1.00 0.00 H new ATOM 0 HG SER A 993 9.939 1.649 -2.531 1.00 0.00 H new ATOM 1166 N ASP A 994 8.204 3.798 -1.635 1.00 0.00 N ATOM 1167 CA ASP A 994 7.206 4.714 -2.210 1.00 0.00 C ATOM 1168 C ASP A 994 6.253 5.271 -1.158 1.00 0.00 C ATOM 1169 O ASP A 994 6.084 6.486 -1.066 1.00 0.00 O ATOM 1170 CB ASP A 994 6.414 4.105 -3.375 1.00 0.00 C ATOM 1171 CG ASP A 994 5.837 2.734 -3.108 1.00 0.00 C ATOM 1172 OD1 ASP A 994 5.021 2.588 -2.181 1.00 0.00 O ATOM 1173 OD2 ASP A 994 6.206 1.804 -3.847 1.00 0.00 O ATOM 0 H ASP A 994 7.918 2.820 -1.587 1.00 0.00 H new ATOM 0 HA ASP A 994 7.790 5.540 -2.616 1.00 0.00 H new ATOM 0 HB2 ASP A 994 5.599 4.781 -3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 994 7.067 4.045 -4.246 1.00 0.00 H new ATOM 1178 N LEU A 995 5.639 4.399 -0.365 1.00 0.00 N ATOM 1179 CA LEU A 995 4.761 4.832 0.715 1.00 0.00 C ATOM 1180 C LEU A 995 5.517 5.831 1.589 1.00 0.00 C ATOM 1181 O LEU A 995 5.043 6.939 1.850 1.00 0.00 O ATOM 1182 CB LEU A 995 4.304 3.631 1.566 1.00 0.00 C ATOM 1183 CG LEU A 995 2.900 3.722 2.171 1.00 0.00 C ATOM 1184 CD1 LEU A 995 2.688 5.045 2.884 1.00 0.00 C ATOM 1185 CD2 LEU A 995 1.848 3.511 1.097 1.00 0.00 C ATOM 0 H LEU A 995 5.734 3.387 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 995 3.873 5.300 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 995 4.352 2.735 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 995 5.018 3.496 2.378 1.00 0.00 H new ATOM 0 HG LEU A 995 2.801 2.931 2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 995 1.682 5.076 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 995 3.417 5.146 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 995 2.812 5.864 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 995 0.855 3.578 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 995 1.954 4.277 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 995 1.978 2.526 0.648 1.00 0.00 H new ATOM 1197 N ALA A 996 6.706 5.422 2.019 1.00 0.00 N ATOM 1198 CA ALA A 996 7.540 6.274 2.849 1.00 0.00 C ATOM 1199 C ALA A 996 7.884 7.587 2.161 1.00 0.00 C ATOM 1200 O ALA A 996 7.770 8.644 2.785 1.00 0.00 O ATOM 1201 CB ALA A 996 8.804 5.560 3.294 1.00 0.00 C ATOM 0 H ALA A 996 7.110 4.510 1.806 1.00 0.00 H new ATOM 0 HA ALA A 996 6.952 6.509 3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 996 9.402 6.230 3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 996 8.538 4.674 3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 996 9.381 5.263 2.419 1.00 0.00 H new ATOM 1207 N GLU A 997 8.304 7.556 0.890 1.00 0.00 N ATOM 1208 CA GLU A 997 8.696 8.799 0.242 1.00 0.00 C ATOM 1209 C GLU A 997 7.509 9.722 0.102 1.00 0.00 C ATOM 1210 O GLU A 997 7.675 10.921 0.158 1.00 0.00 O ATOM 1211 CB GLU A 997 9.382 8.608 -1.114 1.00 0.00 C ATOM 1212 CG GLU A 997 8.453 8.237 -2.252 1.00 0.00 C ATOM 1213 CD GLU A 997 9.137 8.332 -3.597 1.00 0.00 C ATOM 1214 OE1 GLU A 997 9.890 7.405 -3.959 1.00 0.00 O ATOM 1215 OE2 GLU A 997 8.943 9.349 -4.293 1.00 0.00 O ATOM 0 H GLU A 997 8.377 6.717 0.315 1.00 0.00 H new ATOM 0 HA GLU A 997 9.442 9.250 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 997 9.902 9.530 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 997 10.140 7.831 -1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 997 8.085 7.222 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 997 7.584 8.895 -2.240 1.00 0.00 H new ATOM 1222 N LEU A 998 6.318 9.167 -0.084 1.00 0.00 N ATOM 1223 CA LEU A 998 5.124 9.992 -0.229 1.00 0.00 C ATOM 1224 C LEU A 998 4.820 10.724 1.063 1.00 0.00 C ATOM 1225 O LEU A 998 4.478 11.909 1.049 1.00 0.00 O ATOM 1226 CB LEU A 998 3.920 9.167 -0.667 1.00 0.00 C ATOM 1227 CG LEU A 998 3.636 9.215 -2.163 1.00 0.00 C ATOM 1228 CD1 LEU A 998 3.406 10.651 -2.601 1.00 0.00 C ATOM 1229 CD2 LEU A 998 4.779 8.587 -2.943 1.00 0.00 C ATOM 0 H LEU A 998 6.153 8.162 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 998 5.326 10.725 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.079 8.130 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.039 9.519 -0.131 1.00 0.00 H new ATOM 0 HG LEU A 998 2.733 8.641 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 998 3.204 10.677 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.554 11.064 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 998 4.295 11.244 -2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 998 4.559 8.630 -4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 998 5.701 9.133 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 998 4.899 7.547 -2.639 1.00 0.00 H new ATOM 1241 N ILE A 999 4.963 10.018 2.174 1.00 0.00 N ATOM 1242 CA ILE A 999 4.849 10.633 3.495 1.00 0.00 C ATOM 1243 C ILE A 999 5.784 11.841 3.592 1.00 0.00 C ATOM 1244 O ILE A 999 5.412 12.896 4.102 1.00 0.00 O ATOM 1245 CB ILE A 999 5.183 9.628 4.620 1.00 0.00 C ATOM 1246 CG1 ILE A 999 4.225 8.433 4.565 1.00 0.00 C ATOM 1247 CG2 ILE A 999 5.108 10.308 5.982 1.00 0.00 C ATOM 1248 CD1 ILE A 999 4.548 7.350 5.571 1.00 0.00 C ATOM 0 H ILE A 999 5.159 9.017 2.191 1.00 0.00 H new ATOM 0 HA ILE A 999 3.816 10.955 3.623 1.00 0.00 H new ATOM 0 HB ILE A 999 6.200 9.266 4.472 1.00 0.00 H new ATOM 0 HG12 ILE A 999 3.208 8.785 4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 999 4.249 8.005 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 999 5.346 9.586 6.763 1.00 0.00 H new ATOM 0 HG22 ILE A 999 5.823 11.130 6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 999 4.101 10.695 6.140 1.00 0.00 H new ATOM 0 HD11 ILE A 999 3.829 6.537 5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 999 5.553 6.970 5.386 1.00 0.00 H new ATOM 0 HD13 ILE A 999 4.496 7.762 6.579 1.00 0.00 H new ATOM 1260 N ASN A1000 6.972 11.683 3.030 1.00 0.00 N ATOM 1261 CA ASN A1000 7.984 12.737 3.030 1.00 0.00 C ATOM 1262 C ASN A1000 7.809 13.636 1.821 1.00 0.00 C ATOM 1263 O ASN A1000 8.438 14.669 1.731 1.00 0.00 O ATOM 1264 CB ASN A1000 9.396 12.144 2.999 1.00 0.00 C ATOM 1265 CG ASN A1000 9.661 11.144 4.105 1.00 0.00 C ATOM 1266 OD1 ASN A1000 9.090 11.221 5.195 1.00 0.00 O ATOM 1267 ND2 ASN A1000 10.543 10.195 3.827 1.00 0.00 N ATOM 0 H ASN A1000 7.265 10.825 2.562 1.00 0.00 H new ATOM 0 HA ASN A1000 7.856 13.315 3.945 1.00 0.00 H new ATOM 0 HB2 ASN A1000 9.555 11.658 2.036 1.00 0.00 H new ATOM 0 HB3 ASN A1000 10.122 12.954 3.072 1.00 0.00 H new ATOM 0 HD21 ASN A1000 10.773 9.491 4.528 1.00 0.00 H new ATOM 0 HD22 ASN A1000 10.992 10.169 2.912 1.00 0.00 H new ATOM 1274 N LYS A1001 6.960 13.233 0.892 1.00 0.00 N ATOM 1275 CA LYS A1001 6.766 13.984 -0.343 1.00 0.00 C ATOM 1276 C LYS A1001 5.737 15.061 -0.112 1.00 0.00 C ATOM 1277 O LYS A1001 5.869 16.180 -0.597 1.00 0.00 O ATOM 1278 CB LYS A1001 6.339 13.075 -1.500 1.00 0.00 C ATOM 1279 CG LYS A1001 7.290 13.117 -2.691 1.00 0.00 C ATOM 1280 CD LYS A1001 8.685 12.640 -2.307 1.00 0.00 C ATOM 1281 CE LYS A1001 9.677 12.775 -3.456 1.00 0.00 C ATOM 1282 NZ LYS A1001 9.319 11.923 -4.621 1.00 0.00 N ATOM 0 H LYS A1001 6.392 12.389 0.966 1.00 0.00 H new ATOM 0 HA LYS A1001 7.717 14.436 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.268 12.049 -1.138 1.00 0.00 H new ATOM 0 HB3 LYS A1001 5.342 13.366 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A1001 6.898 12.492 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A1001 7.346 14.134 -3.078 1.00 0.00 H new ATOM 0 HD2 LYS A1001 9.041 13.215 -1.452 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.637 11.598 -1.992 1.00 0.00 H new ATOM 0 HE2 LYS A1001 9.722 13.817 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A1001 10.673 12.505 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 10.076 11.973 -5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.202 10.938 -4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 8.429 12.262 -5.038 1.00 0.00 H new ATOM 1296 N MET A1002 4.712 14.715 0.648 1.00 0.00 N ATOM 1297 CA MET A1002 3.717 15.672 1.045 1.00 0.00 C ATOM 1298 C MET A1002 4.280 16.483 2.179 1.00 0.00 C ATOM 1299 O MET A1002 4.037 17.681 2.281 1.00 0.00 O ATOM 1300 CB MET A1002 2.434 14.990 1.490 1.00 0.00 C ATOM 1301 CG MET A1002 1.353 15.969 1.897 1.00 0.00 C ATOM 1302 SD MET A1002 0.283 16.444 0.520 1.00 0.00 S ATOM 1303 CE MET A1002 1.413 17.316 -0.559 1.00 0.00 C ATOM 0 H MET A1002 4.555 13.771 1.000 1.00 0.00 H new ATOM 0 HA MET A1002 3.471 16.307 0.194 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.062 14.363 0.679 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.653 14.329 2.329 1.00 0.00 H new ATOM 0 HG2 MET A1002 0.746 15.525 2.686 1.00 0.00 H new ATOM 0 HG3 MET A1002 1.817 16.862 2.315 1.00 0.00 H new ATOM 0 HE1 MET A1002 0.847 17.938 -1.252 1.00 0.00 H new ATOM 0 HE2 MET A1002 2.073 17.946 0.038 1.00 0.00 H new ATOM 0 HE3 MET A1002 2.008 16.596 -1.121 1.00 0.00 H new ATOM 1313 N LYS A1003 5.045 15.812 3.030 1.00 0.00 N ATOM 1314 CA LYS A1003 5.756 16.495 4.077 1.00 0.00 C ATOM 1315 C LYS A1003 6.712 17.495 3.458 1.00 0.00 C ATOM 1316 O LYS A1003 6.665 18.653 3.807 1.00 0.00 O ATOM 1317 CB LYS A1003 6.494 15.515 4.989 1.00 0.00 C ATOM 1318 CG LYS A1003 7.204 16.198 6.144 1.00 0.00 C ATOM 1319 CD LYS A1003 7.541 15.226 7.260 1.00 0.00 C ATOM 1320 CE LYS A1003 8.228 15.938 8.413 1.00 0.00 C ATOM 1321 NZ LYS A1003 8.351 15.069 9.611 1.00 0.00 N ATOM 0 H LYS A1003 5.182 14.801 3.008 1.00 0.00 H new ATOM 0 HA LYS A1003 5.038 17.024 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A1003 5.783 14.790 5.385 1.00 0.00 H new ATOM 0 HB3 LYS A1003 7.223 14.958 4.400 1.00 0.00 H new ATOM 0 HG2 LYS A1003 8.120 16.665 5.781 1.00 0.00 H new ATOM 0 HG3 LYS A1003 6.573 16.996 6.536 1.00 0.00 H new ATOM 0 HD2 LYS A1003 6.630 14.745 7.616 1.00 0.00 H new ATOM 0 HD3 LYS A1003 8.189 14.437 6.877 1.00 0.00 H new ATOM 0 HE2 LYS A1003 9.219 16.264 8.098 1.00 0.00 H new ATOM 0 HE3 LYS A1003 7.665 16.835 8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 8.825 15.594 10.373 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 7.404 14.778 9.928 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 8.910 14.225 9.372 1.00 0.00 H new ATOM 1335 N LEU A1004 7.552 17.049 2.522 1.00 0.00 N ATOM 1336 CA LEU A1004 8.431 17.954 1.775 1.00 0.00 C ATOM 1337 C LEU A1004 7.648 19.038 1.044 1.00 0.00 C ATOM 1338 O LEU A1004 8.063 20.191 1.019 1.00 0.00 O ATOM 1339 CB LEU A1004 9.302 17.191 0.771 1.00 0.00 C ATOM 1340 CG LEU A1004 10.628 16.662 1.328 1.00 0.00 C ATOM 1341 CD1 LEU A1004 11.374 15.871 0.263 1.00 0.00 C ATOM 1342 CD2 LEU A1004 11.486 17.811 1.838 1.00 0.00 C ATOM 0 H LEU A1004 7.643 16.067 2.262 1.00 0.00 H new ATOM 0 HA LEU A1004 9.075 18.431 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A1004 8.728 16.350 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A1004 9.517 17.848 -0.072 1.00 0.00 H new ATOM 0 HG LEU A1004 10.412 15.996 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A1004 12.313 15.502 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A1004 10.763 15.028 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A1004 11.581 16.516 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A1004 12.424 17.418 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A1004 11.695 18.500 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A1004 10.954 18.339 2.630 1.00 0.00 H new ATOM 1354 N ALA A1005 6.523 18.676 0.446 1.00 0.00 N ATOM 1355 CA ALA A1005 5.692 19.652 -0.243 1.00 0.00 C ATOM 1356 C ALA A1005 5.195 20.708 0.729 1.00 0.00 C ATOM 1357 O ALA A1005 5.242 21.904 0.452 1.00 0.00 O ATOM 1358 CB ALA A1005 4.525 18.969 -0.938 1.00 0.00 C ATOM 0 H ALA A1005 6.166 17.721 0.423 1.00 0.00 H new ATOM 0 HA ALA A1005 6.299 20.144 -1.003 1.00 0.00 H new ATOM 0 HB1 ALA A1005 3.917 19.717 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.904 18.253 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A1005 3.916 18.447 -0.199 1.00 0.00 H new ATOM 1364 N GLN A1006 4.723 20.252 1.871 1.00 0.00 N ATOM 1365 CA GLN A1006 4.279 21.142 2.926 1.00 0.00 C ATOM 1366 C GLN A1006 5.473 21.715 3.671 1.00 0.00 C ATOM 1367 O GLN A1006 5.347 22.610 4.501 1.00 0.00 O ATOM 1368 CB GLN A1006 3.341 20.398 3.865 1.00 0.00 C ATOM 1369 CG GLN A1006 2.047 19.984 3.203 1.00 0.00 C ATOM 1370 CD GLN A1006 1.568 20.965 2.144 1.00 0.00 C ATOM 1371 OE1 GLN A1006 0.894 21.944 2.441 1.00 0.00 O ATOM 1372 NE2 GLN A1006 1.884 20.681 0.891 1.00 0.00 N ATOM 0 H GLN A1006 4.636 19.260 2.094 1.00 0.00 H new ATOM 0 HA GLN A1006 3.732 21.977 2.489 1.00 0.00 H new ATOM 0 HB2 GLN A1006 3.847 19.511 4.247 1.00 0.00 H new ATOM 0 HB3 GLN A1006 3.117 21.032 4.723 1.00 0.00 H new ATOM 0 HG2 GLN A1006 2.179 19.003 2.746 1.00 0.00 H new ATOM 0 HG3 GLN A1006 1.275 19.879 3.965 1.00 0.00 H new ATOM 0 HE21 GLN A1006 2.447 19.857 0.681 1.00 0.00 H new ATOM 0 HE22 GLN A1006 1.564 21.286 0.135 1.00 0.00 H new ATOM 1381 N GLN A1007 6.631 21.168 3.372 1.00 0.00 N ATOM 1382 CA GLN A1007 7.880 21.656 3.886 1.00 0.00 C ATOM 1383 C GLN A1007 8.410 22.749 2.965 1.00 0.00 C ATOM 1384 O GLN A1007 9.420 23.393 3.244 1.00 0.00 O ATOM 1385 CB GLN A1007 8.847 20.478 3.978 1.00 0.00 C ATOM 1386 CG GLN A1007 9.534 20.330 5.320 1.00 0.00 C ATOM 1387 CD GLN A1007 8.554 20.203 6.476 1.00 0.00 C ATOM 1388 OE1 GLN A1007 8.862 20.596 7.600 1.00 0.00 O ATOM 1389 NE2 GLN A1007 7.368 19.651 6.225 1.00 0.00 N ATOM 0 H GLN A1007 6.727 20.361 2.756 1.00 0.00 H new ATOM 0 HA GLN A1007 7.758 22.090 4.878 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.302 19.560 3.760 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.608 20.588 3.205 1.00 0.00 H new ATOM 0 HG2 GLN A1007 10.178 19.451 5.298 1.00 0.00 H new ATOM 0 HG3 GLN A1007 10.178 21.193 5.490 1.00 0.00 H new ATOM 0 HE21 GLN A1007 7.142 19.335 5.282 1.00 0.00 H new ATOM 0 HE22 GLN A1007 6.686 19.545 6.976 1.00 0.00 H new ATOM 1398 N TYR A1008 7.698 22.938 1.863 1.00 0.00 N ATOM 1399 CA TYR A1008 8.036 23.937 0.867 1.00 0.00 C ATOM 1400 C TYR A1008 6.823 24.833 0.599 1.00 0.00 C ATOM 1401 O TYR A1008 6.866 25.734 -0.240 1.00 0.00 O ATOM 1402 CB TYR A1008 8.472 23.198 -0.396 1.00 0.00 C ATOM 1403 CG TYR A1008 8.874 24.056 -1.569 1.00 0.00 C ATOM 1404 CD1 TYR A1008 10.050 24.794 -1.551 1.00 0.00 C ATOM 1405 CD2 TYR A1008 8.090 24.095 -2.713 1.00 0.00 C ATOM 1406 CE1 TYR A1008 10.428 25.553 -2.639 1.00 0.00 C ATOM 1407 CE2 TYR A1008 8.468 24.845 -3.807 1.00 0.00 C ATOM 1408 CZ TYR A1008 9.637 25.573 -3.764 1.00 0.00 C ATOM 1409 OH TYR A1008 10.020 26.323 -4.852 1.00 0.00 O ATOM 0 H TYR A1008 6.864 22.397 1.636 1.00 0.00 H new ATOM 0 HA TYR A1008 8.845 24.580 1.212 1.00 0.00 H new ATOM 0 HB2 TYR A1008 9.312 22.552 -0.141 1.00 0.00 H new ATOM 0 HB3 TYR A1008 7.655 22.549 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A1008 10.678 24.773 -0.672 1.00 0.00 H new ATOM 0 HD2 TYR A1008 7.170 23.530 -2.747 1.00 0.00 H new ATOM 0 HE1 TYR A1008 11.341 26.129 -2.608 1.00 0.00 H new ATOM 0 HE2 TYR A1008 7.851 24.862 -4.693 1.00 0.00 H new ATOM 0 HH TYR A1008 9.742 25.870 -5.676 1.00 0.00 H new ATOM 1496 N GLN A1014 3.826 25.745 -3.598 1.00 0.00 N ATOM 1497 CA GLN A1014 3.254 24.591 -2.925 1.00 0.00 C ATOM 1498 C GLN A1014 2.756 23.593 -3.962 1.00 0.00 C ATOM 1499 O GLN A1014 3.111 22.412 -3.920 1.00 0.00 O ATOM 1500 CB GLN A1014 2.110 25.028 -2.000 1.00 0.00 C ATOM 1501 CG GLN A1014 1.724 24.002 -0.944 1.00 0.00 C ATOM 1502 CD GLN A1014 0.797 22.931 -1.471 1.00 0.00 C ATOM 1503 OE1 GLN A1014 1.366 21.863 -1.990 1.00 0.00 O flip ATOM 1504 NE2 GLN A1014 -0.424 23.066 -1.417 1.00 0.00 N flip ATOM 0 HA GLN A1014 4.020 24.113 -2.314 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.397 25.954 -1.501 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.234 25.252 -2.608 1.00 0.00 H new ATOM 0 HG2 GLN A1014 2.627 23.533 -0.554 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.244 24.512 -0.109 1.00 0.00 H new ATOM 0 HE21 GLN A1014 -0.826 23.909 -1.007 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -1.035 22.335 -1.782 1.00 0.00 H new ATOM 1513 N GLN A1015 1.965 24.083 -4.910 1.00 0.00 N ATOM 1514 CA GLN A1015 1.382 23.231 -5.939 1.00 0.00 C ATOM 1515 C GLN A1015 2.476 22.565 -6.762 1.00 0.00 C ATOM 1516 O GLN A1015 2.338 21.419 -7.171 1.00 0.00 O ATOM 1517 CB GLN A1015 0.473 24.034 -6.858 1.00 0.00 C ATOM 1518 CG GLN A1015 -0.649 24.768 -6.145 1.00 0.00 C ATOM 1519 CD GLN A1015 -1.691 25.291 -7.112 1.00 0.00 C ATOM 1520 OE1 GLN A1015 -1.562 26.390 -7.652 1.00 0.00 O ATOM 1521 NE2 GLN A1015 -2.741 24.513 -7.327 1.00 0.00 N ATOM 0 H GLN A1015 1.713 25.068 -4.987 1.00 0.00 H new ATOM 0 HA GLN A1015 0.789 22.464 -5.440 1.00 0.00 H new ATOM 0 HB2 GLN A1015 1.077 24.760 -7.403 1.00 0.00 H new ATOM 0 HB3 GLN A1015 0.038 23.361 -7.598 1.00 0.00 H new ATOM 0 HG2 GLN A1015 -1.124 24.097 -5.429 1.00 0.00 H new ATOM 0 HG3 GLN A1015 -0.234 25.599 -5.575 1.00 0.00 H new ATOM 0 HE21 GLN A1015 -2.810 23.609 -6.860 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -3.481 24.818 -7.960 1.00 0.00 H new ATOM 1530 N GLU A1016 3.546 23.310 -7.020 1.00 0.00 N ATOM 1531 CA GLU A1016 4.730 22.756 -7.673 1.00 0.00 C ATOM 1532 C GLU A1016 5.176 21.467 -6.984 1.00 0.00 C ATOM 1533 O GLU A1016 5.382 20.441 -7.637 1.00 0.00 O ATOM 1534 CB GLU A1016 5.877 23.766 -7.654 1.00 0.00 C ATOM 1535 CG GLU A1016 7.130 23.266 -8.349 1.00 0.00 C ATOM 1536 CD GLU A1016 8.282 24.235 -8.231 1.00 0.00 C ATOM 1537 OE1 GLU A1016 8.834 24.378 -7.125 1.00 0.00 O ATOM 1538 OE2 GLU A1016 8.646 24.859 -9.248 1.00 0.00 O ATOM 0 H GLU A1016 3.619 24.300 -6.787 1.00 0.00 H new ATOM 0 HA GLU A1016 4.466 22.533 -8.707 1.00 0.00 H new ATOM 0 HB2 GLU A1016 5.548 24.688 -8.133 1.00 0.00 H new ATOM 0 HB3 GLU A1016 6.118 24.012 -6.620 1.00 0.00 H new ATOM 0 HG2 GLU A1016 7.421 22.307 -7.921 1.00 0.00 H new ATOM 0 HG3 GLU A1016 6.912 23.092 -9.403 1.00 0.00 H new ATOM 1545 N TYR A1017 5.306 21.514 -5.663 1.00 0.00 N ATOM 1546 CA TYR A1017 5.690 20.334 -4.902 1.00 0.00 C ATOM 1547 C TYR A1017 4.565 19.303 -4.860 1.00 0.00 C ATOM 1548 O TYR A1017 4.822 18.105 -4.761 1.00 0.00 O ATOM 1549 CB TYR A1017 6.131 20.708 -3.481 1.00 0.00 C ATOM 1550 CG TYR A1017 7.637 20.732 -3.318 1.00 0.00 C ATOM 1551 CD1 TYR A1017 8.459 21.005 -4.405 1.00 0.00 C ATOM 1552 CD2 TYR A1017 8.242 20.463 -2.091 1.00 0.00 C ATOM 1553 CE1 TYR A1017 9.832 21.015 -4.280 1.00 0.00 C ATOM 1554 CE2 TYR A1017 9.617 20.468 -1.960 1.00 0.00 C ATOM 1555 CZ TYR A1017 10.410 20.749 -3.055 1.00 0.00 C ATOM 1556 OH TYR A1017 11.782 20.758 -2.928 1.00 0.00 O ATOM 0 H TYR A1017 5.152 22.351 -5.101 1.00 0.00 H new ATOM 0 HA TYR A1017 6.539 19.883 -5.415 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.727 21.688 -3.227 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.705 19.995 -2.775 1.00 0.00 H new ATOM 0 HD1 TYR A1017 8.013 21.213 -5.366 1.00 0.00 H new ATOM 0 HD2 TYR A1017 7.626 20.248 -1.230 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.453 21.230 -5.137 1.00 0.00 H new ATOM 0 HE2 TYR A1017 10.071 20.253 -1.004 1.00 0.00 H new ATOM 0 HH TYR A1017 12.026 20.553 -2.001 1.00 0.00 H new ATOM 1566 N LYS A1018 3.319 19.761 -4.953 1.00 0.00 N ATOM 1567 CA LYS A1018 2.176 18.852 -4.962 1.00 0.00 C ATOM 1568 C LYS A1018 2.069 18.152 -6.316 1.00 0.00 C ATOM 1569 O LYS A1018 1.510 17.064 -6.423 1.00 0.00 O ATOM 1570 CB LYS A1018 0.871 19.596 -4.638 1.00 0.00 C ATOM 1571 CG LYS A1018 -0.323 18.668 -4.444 1.00 0.00 C ATOM 1572 CD LYS A1018 -1.568 19.414 -3.977 1.00 0.00 C ATOM 1573 CE LYS A1018 -2.156 20.301 -5.067 1.00 0.00 C ATOM 1574 NZ LYS A1018 -2.684 19.513 -6.215 1.00 0.00 N ATOM 0 H LYS A1018 3.076 20.749 -5.023 1.00 0.00 H new ATOM 0 HA LYS A1018 2.334 18.101 -4.188 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.013 20.187 -3.733 1.00 0.00 H new ATOM 0 HB3 LYS A1018 0.651 20.296 -5.444 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -0.539 18.157 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -0.068 17.900 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -2.320 18.694 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -1.318 20.026 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -2.958 20.907 -4.646 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -1.390 20.990 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -3.264 20.128 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -1.890 19.131 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -3.267 18.729 -5.859 1.00 0.00 H new ATOM 1588 N LYS A1019 2.604 18.792 -7.346 1.00 0.00 N ATOM 1589 CA LYS A1019 2.623 18.226 -8.688 1.00 0.00 C ATOM 1590 C LYS A1019 3.511 16.982 -8.723 1.00 0.00 C ATOM 1591 O LYS A1019 3.046 15.882 -9.032 1.00 0.00 O ATOM 1592 CB LYS A1019 3.152 19.295 -9.650 1.00 0.00 C ATOM 1593 CG LYS A1019 3.363 18.830 -11.078 1.00 0.00 C ATOM 1594 CD LYS A1019 4.197 19.843 -11.844 1.00 0.00 C ATOM 1595 CE LYS A1019 4.435 19.421 -13.281 1.00 0.00 C ATOM 1596 NZ LYS A1019 3.197 19.490 -14.100 1.00 0.00 N ATOM 0 H LYS A1019 3.035 19.714 -7.276 1.00 0.00 H new ATOM 0 HA LYS A1019 1.618 17.926 -8.986 1.00 0.00 H new ATOM 0 HB2 LYS A1019 2.454 20.132 -9.657 1.00 0.00 H new ATOM 0 HB3 LYS A1019 4.099 19.672 -9.264 1.00 0.00 H new ATOM 0 HG2 LYS A1019 3.861 17.861 -11.082 1.00 0.00 H new ATOM 0 HG3 LYS A1019 2.400 18.695 -11.570 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.694 20.810 -11.830 1.00 0.00 H new ATOM 0 HD3 LYS A1019 5.156 19.975 -11.343 1.00 0.00 H new ATOM 0 HE2 LYS A1019 5.198 20.061 -13.724 1.00 0.00 H new ATOM 0 HE3 LYS A1019 4.824 18.403 -13.299 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 3.421 19.258 -15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 2.501 18.810 -13.734 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 2.801 20.451 -14.051 1.00 0.00 H new ATOM 1610 N GLN A1020 4.789 17.177 -8.411 1.00 0.00 N ATOM 1611 CA GLN A1020 5.708 16.064 -8.154 1.00 0.00 C ATOM 1612 C GLN A1020 5.105 15.042 -7.188 1.00 0.00 C ATOM 1613 O GLN A1020 5.240 13.833 -7.389 1.00 0.00 O ATOM 1614 CB GLN A1020 7.042 16.577 -7.599 1.00 0.00 C ATOM 1615 CG GLN A1020 8.025 17.052 -8.664 1.00 0.00 C ATOM 1616 CD GLN A1020 7.521 18.237 -9.467 1.00 0.00 C ATOM 1617 OE1 GLN A1020 6.866 18.074 -10.494 1.00 0.00 O ATOM 1618 NE2 GLN A1020 7.829 19.436 -9.002 1.00 0.00 N ATOM 0 H GLN A1020 5.217 18.099 -8.329 1.00 0.00 H new ATOM 0 HA GLN A1020 5.884 15.567 -9.108 1.00 0.00 H new ATOM 0 HB2 GLN A1020 6.844 17.400 -6.912 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.510 15.782 -7.018 1.00 0.00 H new ATOM 0 HG2 GLN A1020 8.966 17.322 -8.184 1.00 0.00 H new ATOM 0 HG3 GLN A1020 8.239 16.227 -9.344 1.00 0.00 H new ATOM 0 HE21 GLN A1020 8.375 19.526 -8.145 1.00 0.00 H new ATOM 0 HE22 GLN A1020 7.521 20.271 -9.500 1.00 0.00 H new ATOM 1627 N MET A1021 4.444 15.527 -6.146 1.00 0.00 N ATOM 1628 CA MET A1021 3.834 14.648 -5.152 1.00 0.00 C ATOM 1629 C MET A1021 2.735 13.794 -5.783 1.00 0.00 C ATOM 1630 O MET A1021 2.678 12.590 -5.557 1.00 0.00 O ATOM 1631 CB MET A1021 3.284 15.477 -3.982 1.00 0.00 C ATOM 1632 CG MET A1021 2.645 14.663 -2.864 1.00 0.00 C ATOM 1633 SD MET A1021 0.950 14.163 -3.230 1.00 0.00 S ATOM 1634 CE MET A1021 0.527 13.286 -1.728 1.00 0.00 C ATOM 0 H MET A1021 4.315 16.523 -5.965 1.00 0.00 H new ATOM 0 HA MET A1021 4.598 13.973 -4.768 1.00 0.00 H new ATOM 0 HB2 MET A1021 4.097 16.069 -3.562 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.545 16.179 -4.369 1.00 0.00 H new ATOM 0 HG2 MET A1021 3.248 13.774 -2.680 1.00 0.00 H new ATOM 0 HG3 MET A1021 2.654 15.249 -1.945 1.00 0.00 H new ATOM 0 HE1 MET A1021 0.138 12.299 -1.980 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.416 13.178 -1.107 1.00 0.00 H new ATOM 0 HE3 MET A1021 -0.232 13.846 -1.181 1.00 0.00 H new ATOM 1644 N LEU A1022 1.891 14.415 -6.599 1.00 0.00 N ATOM 1645 CA LEU A1022 0.768 13.723 -7.229 1.00 0.00 C ATOM 1646 C LEU A1022 1.247 12.574 -8.116 1.00 0.00 C ATOM 1647 O LEU A1022 0.619 11.513 -8.169 1.00 0.00 O ATOM 1648 CB LEU A1022 -0.066 14.706 -8.055 1.00 0.00 C ATOM 1649 CG LEU A1022 -1.314 14.110 -8.708 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -2.317 13.670 -7.651 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -1.941 15.109 -9.664 1.00 0.00 C ATOM 0 H LEU A1022 1.963 15.403 -6.842 1.00 0.00 H new ATOM 0 HA LEU A1022 0.149 13.304 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU A1022 -0.371 15.531 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU A1022 0.567 15.129 -8.835 1.00 0.00 H new ATOM 0 HG LEU A1022 -1.017 13.230 -9.278 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -3.197 13.249 -8.137 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -1.862 12.916 -7.009 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -2.612 14.529 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -2.828 14.669 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -2.223 16.009 -9.117 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -1.223 15.368 -10.442 1.00 0.00 H new ATOM 1663 N THR A1023 2.362 12.782 -8.804 1.00 0.00 N ATOM 1664 CA THR A1023 2.930 11.746 -9.657 1.00 0.00 C ATOM 1665 C THR A1023 3.472 10.599 -8.803 1.00 0.00 C ATOM 1666 O THR A1023 3.409 9.427 -9.181 1.00 0.00 O ATOM 1667 CB THR A1023 4.058 12.317 -10.539 1.00 0.00 C ATOM 1668 OG1 THR A1023 3.588 13.488 -11.224 1.00 0.00 O ATOM 1669 CG2 THR A1023 4.532 11.287 -11.554 1.00 0.00 C ATOM 0 H THR A1023 2.889 13.655 -8.789 1.00 0.00 H new ATOM 0 HA THR A1023 2.139 11.370 -10.306 1.00 0.00 H new ATOM 0 HB THR A1023 4.899 12.577 -9.896 1.00 0.00 H new ATOM 0 HG1 THR A1023 4.307 13.851 -11.783 1.00 0.00 H new ATOM 0 HG21 THR A1023 5.328 11.716 -12.163 1.00 0.00 H new ATOM 0 HG22 THR A1023 4.909 10.408 -11.031 1.00 0.00 H new ATOM 0 HG23 THR A1023 3.699 10.999 -12.196 1.00 0.00 H new ATOM 1677 N ALA A1024 3.943 10.952 -7.618 1.00 0.00 N ATOM 1678 CA ALA A1024 4.520 9.981 -6.708 1.00 0.00 C ATOM 1679 C ALA A1024 3.412 9.221 -5.992 1.00 0.00 C ATOM 1680 O ALA A1024 3.499 8.014 -5.785 1.00 0.00 O ATOM 1681 CB ALA A1024 5.442 10.667 -5.713 1.00 0.00 C ATOM 0 H ALA A1024 3.936 11.909 -7.264 1.00 0.00 H new ATOM 0 HA ALA A1024 5.115 9.268 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.866 9.924 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A1024 6.246 11.171 -6.250 1.00 0.00 H new ATOM 0 HB3 ALA A1024 4.876 11.399 -5.137 1.00 0.00 H new ATOM 1687 N ALA A1025 2.359 9.941 -5.629 1.00 0.00 N ATOM 1688 CA ALA A1025 1.217 9.347 -4.952 1.00 0.00 C ATOM 1689 C ALA A1025 0.527 8.336 -5.848 1.00 0.00 C ATOM 1690 O ALA A1025 0.051 7.303 -5.387 1.00 0.00 O ATOM 1691 CB ALA A1025 0.237 10.425 -4.520 1.00 0.00 C ATOM 0 H ALA A1025 2.273 10.944 -5.794 1.00 0.00 H new ATOM 0 HA ALA A1025 1.579 8.828 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -0.612 9.964 -4.015 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.733 11.116 -3.838 1.00 0.00 H new ATOM 0 HB3 ALA A1025 -0.114 10.970 -5.396 1.00 0.00 H new ATOM 1697 N HIS A1026 0.483 8.626 -7.138 1.00 0.00 N ATOM 1698 CA HIS A1026 -0.093 7.685 -8.079 1.00 0.00 C ATOM 1699 C HIS A1026 0.774 6.439 -8.145 1.00 0.00 C ATOM 1700 O HIS A1026 0.277 5.337 -8.351 1.00 0.00 O ATOM 1701 CB HIS A1026 -0.246 8.309 -9.471 1.00 0.00 C ATOM 1702 CG HIS A1026 -0.984 7.438 -10.445 1.00 0.00 C ATOM 1703 ND1 HIS A1026 -2.359 7.389 -10.518 1.00 0.00 N ATOM 1704 CD2 HIS A1026 -0.530 6.573 -11.385 1.00 0.00 C ATOM 1705 CE1 HIS A1026 -2.719 6.535 -11.459 1.00 0.00 C ATOM 1706 NE2 HIS A1026 -1.627 6.025 -12.000 1.00 0.00 N ATOM 0 H HIS A1026 0.833 9.491 -7.551 1.00 0.00 H new ATOM 0 HA HIS A1026 -1.090 7.414 -7.732 1.00 0.00 H new ATOM 0 HB2 HIS A1026 -0.771 9.260 -9.377 1.00 0.00 H new ATOM 0 HB3 HIS A1026 0.744 8.529 -9.872 1.00 0.00 H new ATOM 0 HD2 HIS A1026 0.504 6.356 -11.608 1.00 0.00 H new ATOM 0 HE1 HIS A1026 -3.734 6.294 -11.739 1.00 0.00 H new ATOM 0 HE2 HIS A1026 -1.603 5.336 -12.752 1.00 0.00 H new ATOM 1715 N ALA A1027 2.070 6.624 -7.939 1.00 0.00 N ATOM 1716 CA ALA A1027 2.996 5.510 -7.910 1.00 0.00 C ATOM 1717 C ALA A1027 2.740 4.639 -6.686 1.00 0.00 C ATOM 1718 O ALA A1027 2.529 3.438 -6.819 1.00 0.00 O ATOM 1719 CB ALA A1027 4.436 6.005 -7.930 1.00 0.00 C ATOM 0 H ALA A1027 2.501 7.537 -7.790 1.00 0.00 H new ATOM 0 HA ALA A1027 2.836 4.905 -8.802 1.00 0.00 H new ATOM 0 HB1 ALA A1027 5.114 5.152 -7.908 1.00 0.00 H new ATOM 0 HB2 ALA A1027 4.610 6.583 -8.838 1.00 0.00 H new ATOM 0 HB3 ALA A1027 4.616 6.635 -7.059 1.00 0.00 H new ATOM 1725 N LEU A1028 2.670 5.261 -5.508 1.00 0.00 N ATOM 1726 CA LEU A1028 2.529 4.502 -4.267 1.00 0.00 C ATOM 1727 C LEU A1028 1.157 3.813 -4.233 1.00 0.00 C ATOM 1728 O LEU A1028 1.006 2.725 -3.684 1.00 0.00 O ATOM 1729 CB LEU A1028 2.806 5.395 -3.021 1.00 0.00 C ATOM 1730 CG LEU A1028 1.665 5.616 -2.009 1.00 0.00 C ATOM 1731 CD1 LEU A1028 2.209 6.280 -0.764 1.00 0.00 C ATOM 1732 CD2 LEU A1028 0.560 6.485 -2.578 1.00 0.00 C ATOM 0 H LEU A1028 2.708 6.273 -5.388 1.00 0.00 H new ATOM 0 HA LEU A1028 3.284 3.717 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A1028 3.648 4.961 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A1028 3.127 6.373 -3.379 1.00 0.00 H new ATOM 0 HG LEU A1028 1.246 4.637 -1.774 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.399 6.435 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A1028 2.971 5.643 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A1028 2.649 7.242 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -0.223 6.614 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A1028 0.967 7.459 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A1028 0.141 6.007 -3.463 1.00 0.00 H new ATOM 1744 N ALA A1029 0.162 4.457 -4.843 1.00 0.00 N ATOM 1745 CA ALA A1029 -1.156 3.851 -5.027 1.00 0.00 C ATOM 1746 C ALA A1029 -1.093 2.586 -5.886 1.00 0.00 C ATOM 1747 O ALA A1029 -1.706 1.573 -5.553 1.00 0.00 O ATOM 1748 CB ALA A1029 -2.115 4.853 -5.647 1.00 0.00 C ATOM 0 H ALA A1029 0.245 5.401 -5.219 1.00 0.00 H new ATOM 0 HA ALA A1029 -1.520 3.562 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -3.092 4.388 -5.778 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -2.210 5.719 -4.992 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -1.732 5.172 -6.616 1.00 0.00 H new ATOM 1754 N VAL A1030 -0.354 2.641 -6.988 1.00 0.00 N ATOM 1755 CA VAL A1030 -0.249 1.499 -7.896 1.00 0.00 C ATOM 1756 C VAL A1030 0.694 0.442 -7.339 1.00 0.00 C ATOM 1757 O VAL A1030 0.658 -0.723 -7.736 1.00 0.00 O ATOM 1758 CB VAL A1030 0.196 1.934 -9.314 1.00 0.00 C ATOM 1759 CG1 VAL A1030 0.307 0.740 -10.252 1.00 0.00 C ATOM 1760 CG2 VAL A1030 -0.776 2.951 -9.884 1.00 0.00 C ATOM 0 H VAL A1030 0.181 3.460 -7.276 1.00 0.00 H new ATOM 0 HA VAL A1030 -1.244 1.062 -7.981 1.00 0.00 H new ATOM 0 HB VAL A1030 1.182 2.390 -9.226 1.00 0.00 H new ATOM 0 HG11 VAL A1030 0.621 1.080 -11.239 1.00 0.00 H new ATOM 0 HG12 VAL A1030 1.041 0.036 -9.860 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -0.662 0.247 -10.330 1.00 0.00 H new ATOM 0 HG21 VAL A1030 -0.450 3.247 -10.881 1.00 0.00 H new ATOM 0 HG22 VAL A1030 -1.771 2.510 -9.944 1.00 0.00 H new ATOM 0 HG23 VAL A1030 -0.806 3.828 -9.237 1.00 0.00 H new ATOM 1770 N ASP A1031 1.523 0.850 -6.409 1.00 0.00 N ATOM 1771 CA ASP A1031 2.418 -0.083 -5.758 1.00 0.00 C ATOM 1772 C ASP A1031 1.699 -0.754 -4.582 1.00 0.00 C ATOM 1773 O ASP A1031 1.908 -1.941 -4.317 1.00 0.00 O ATOM 1774 CB ASP A1031 3.732 0.594 -5.382 1.00 0.00 C ATOM 1775 CG ASP A1031 4.522 0.970 -6.633 1.00 0.00 C ATOM 1776 OD1 ASP A1031 4.697 0.097 -7.517 1.00 0.00 O ATOM 1777 OD2 ASP A1031 4.942 2.137 -6.771 1.00 0.00 O ATOM 0 H ASP A1031 1.599 1.814 -6.086 1.00 0.00 H new ATOM 0 HA ASP A1031 2.694 -0.880 -6.448 1.00 0.00 H new ATOM 0 HB2 ASP A1031 3.531 1.487 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.326 -0.074 -4.758 1.00 0.00 H new ATOM 1782 N ALA A1032 0.814 0.002 -3.909 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.212 -0.580 -3.043 1.00 0.00 C ATOM 1784 C ALA A1032 -0.998 -1.606 -3.847 1.00 0.00 C ATOM 1785 O ALA A1032 -1.190 -2.748 -3.429 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.149 0.515 -2.555 1.00 0.00 C ATOM 0 H ALA A1032 0.794 1.021 -3.952 1.00 0.00 H new ATOM 0 HA ALA A1032 0.253 -1.058 -2.181 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -1.913 0.080 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.581 1.257 -1.994 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.626 0.994 -3.410 1.00 0.00 H new ATOM 1792 N LYS A1033 -1.420 -1.172 -5.026 1.00 0.00 N ATOM 1793 CA LYS A1033 -2.144 -2.016 -5.966 1.00 0.00 C ATOM 1794 C LYS A1033 -1.306 -3.220 -6.405 1.00 0.00 C ATOM 1795 O LYS A1033 -1.843 -4.275 -6.738 1.00 0.00 O ATOM 1796 CB LYS A1033 -2.551 -1.184 -7.186 1.00 0.00 C ATOM 1797 CG LYS A1033 -3.327 -1.956 -8.241 1.00 0.00 C ATOM 1798 CD LYS A1033 -3.600 -1.098 -9.467 1.00 0.00 C ATOM 1799 CE LYS A1033 -4.292 -1.893 -10.560 1.00 0.00 C ATOM 1800 NZ LYS A1033 -3.489 -3.072 -10.982 1.00 0.00 N ATOM 0 H LYS A1033 -1.269 -0.220 -5.359 1.00 0.00 H new ATOM 0 HA LYS A1033 -3.033 -2.400 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -3.156 -0.342 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -1.653 -0.769 -7.644 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -2.764 -2.842 -8.533 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -4.271 -2.303 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -4.221 -0.247 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -2.661 -0.696 -9.847 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -5.267 -2.226 -10.204 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -4.470 -1.248 -11.421 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -3.835 -3.417 -11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -2.490 -2.798 -11.070 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -3.580 -3.826 -10.272 1.00 0.00 H new ATOM 1814 N ASN A1034 0.009 -3.077 -6.404 1.00 0.00 N ATOM 1815 CA ASN A1034 0.862 -4.170 -6.831 1.00 0.00 C ATOM 1816 C ASN A1034 0.912 -5.236 -5.755 1.00 0.00 C ATOM 1817 O ASN A1034 0.957 -6.425 -6.049 1.00 0.00 O ATOM 1818 CB ASN A1034 2.276 -3.689 -7.148 1.00 0.00 C ATOM 1819 CG ASN A1034 3.083 -4.743 -7.878 1.00 0.00 C ATOM 1820 OD1 ASN A1034 2.542 -5.535 -8.647 1.00 0.00 O ATOM 1821 ND2 ASN A1034 4.382 -4.764 -7.639 1.00 0.00 N ATOM 0 H ASN A1034 0.501 -2.231 -6.118 1.00 0.00 H new ATOM 0 HA ASN A1034 0.437 -4.588 -7.744 1.00 0.00 H new ATOM 0 HB2 ASN A1034 2.224 -2.786 -7.756 1.00 0.00 H new ATOM 0 HB3 ASN A1034 2.784 -3.420 -6.222 1.00 0.00 H new ATOM 0 HD21 ASN A1034 4.974 -5.455 -8.100 1.00 0.00 H new ATOM 0 HD22 ASN A1034 4.793 -4.089 -6.994 1.00 0.00 H new ATOM 1828 N LEU A1035 0.858 -4.809 -4.500 1.00 0.00 N ATOM 1829 CA LEU A1035 0.948 -5.745 -3.393 1.00 0.00 C ATOM 1830 C LEU A1035 -0.377 -6.458 -3.184 1.00 0.00 C ATOM 1831 O LEU A1035 -0.402 -7.553 -2.636 1.00 0.00 O ATOM 1832 CB LEU A1035 1.384 -5.055 -2.099 1.00 0.00 C ATOM 1833 CG LEU A1035 1.677 -6.015 -0.944 1.00 0.00 C ATOM 1834 CD1 LEU A1035 2.962 -6.785 -1.195 1.00 0.00 C ATOM 1835 CD2 LEU A1035 1.768 -5.266 0.363 1.00 0.00 C ATOM 0 H LEU A1035 0.754 -3.832 -4.227 1.00 0.00 H new ATOM 0 HA LEU A1035 1.710 -6.480 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.277 -4.462 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A1035 0.603 -4.360 -1.790 1.00 0.00 H new ATOM 0 HG LEU A1035 0.853 -6.726 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A1035 3.150 -7.461 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A1035 2.867 -7.362 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A1035 3.793 -6.086 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.977 -5.968 1.171 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.570 -4.530 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.823 -4.759 0.558 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.480 -5.853 -3.624 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.768 -6.520 -3.545 1.00 0.00 C ATOM 1849 C LEU A1036 -2.713 -7.741 -4.418 1.00 0.00 C ATOM 1850 O LEU A1036 -3.106 -8.808 -4.012 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.953 -5.585 -3.917 1.00 0.00 C ATOM 1852 CG LEU A1036 -4.164 -5.218 -5.394 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -4.924 -6.308 -6.140 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -4.917 -3.899 -5.500 1.00 0.00 C ATOM 0 H LEU A1036 -1.504 -4.918 -4.031 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.958 -6.812 -2.512 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -4.870 -6.053 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.830 -4.657 -3.359 1.00 0.00 H new ATOM 0 HG LEU A1036 -3.182 -5.117 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -5.054 -6.013 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -4.361 -7.240 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.901 -6.451 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -5.062 -3.646 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -5.887 -3.994 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -4.341 -3.111 -5.014 1.00 0.00 H new ATOM 1866 N ASP A1037 -2.140 -7.560 -5.588 1.00 0.00 N ATOM 1867 CA ASP A1037 -1.912 -8.645 -6.533 1.00 0.00 C ATOM 1868 C ASP A1037 -0.964 -9.662 -5.906 1.00 0.00 C ATOM 1869 O ASP A1037 -1.181 -10.868 -5.974 1.00 0.00 O ATOM 1870 CB ASP A1037 -1.314 -8.072 -7.824 1.00 0.00 C ATOM 1871 CG ASP A1037 -1.247 -9.074 -8.960 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -0.233 -9.787 -9.073 1.00 0.00 O ATOM 1873 OD2 ASP A1037 -2.196 -9.113 -9.775 1.00 0.00 O ATOM 0 H ASP A1037 -1.815 -6.651 -5.918 1.00 0.00 H new ATOM 0 HA ASP A1037 -2.852 -9.142 -6.773 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -1.909 -7.216 -8.141 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.310 -7.703 -7.617 1.00 0.00 H new ATOM 1878 N VAL A1038 0.076 -9.133 -5.272 1.00 0.00 N ATOM 1879 CA VAL A1038 1.054 -9.928 -4.536 1.00 0.00 C ATOM 1880 C VAL A1038 0.404 -10.848 -3.502 1.00 0.00 C ATOM 1881 O VAL A1038 0.415 -12.060 -3.656 1.00 0.00 O ATOM 1882 CB VAL A1038 2.064 -9.010 -3.814 1.00 0.00 C ATOM 1883 CG1 VAL A1038 2.894 -9.791 -2.812 1.00 0.00 C ATOM 1884 CG2 VAL A1038 2.965 -8.306 -4.814 1.00 0.00 C ATOM 0 H VAL A1038 0.267 -8.131 -5.254 1.00 0.00 H new ATOM 0 HA VAL A1038 1.563 -10.548 -5.274 1.00 0.00 H new ATOM 0 HB VAL A1038 1.496 -8.255 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A1038 3.596 -9.119 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.237 -10.240 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.445 -10.576 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A1038 3.668 -7.665 -4.282 1.00 0.00 H new ATOM 0 HG22 VAL A1038 3.516 -9.048 -5.392 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.358 -7.700 -5.486 1.00 0.00 H new ATOM 1894 N ILE A1039 -0.140 -10.258 -2.448 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.644 -11.012 -1.303 1.00 0.00 C ATOM 1896 C ILE A1039 -2.011 -11.654 -1.551 1.00 0.00 C ATOM 1897 O ILE A1039 -2.338 -12.659 -0.914 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.670 -10.167 -0.016 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -1.443 -8.867 -0.226 1.00 0.00 C ATOM 1900 CG2 ILE A1039 0.754 -9.879 0.443 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -1.314 -7.898 0.926 1.00 0.00 C ATOM 0 H ILE A1039 -0.246 -9.247 -2.359 1.00 0.00 H new ATOM 0 HA ILE A1039 0.068 -11.825 -1.164 1.00 0.00 H new ATOM 0 HB ILE A1039 -1.184 -10.734 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.088 -8.385 -1.137 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.497 -9.100 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.729 -9.281 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.270 -10.819 0.640 1.00 0.00 H new ATOM 0 HG23 ILE A1039 1.284 -9.331 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.888 -6.997 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -1.696 -8.361 1.836 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.265 -7.635 1.065 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.817 -11.081 -2.446 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.971 -11.813 -2.995 1.00 0.00 C ATOM 1915 C ASP A1040 -3.485 -13.170 -3.469 1.00 0.00 C ATOM 1916 O ASP A1040 -4.036 -14.224 -3.114 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.597 -11.048 -4.173 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.704 -11.797 -4.892 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -5.401 -12.737 -5.654 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -6.884 -11.425 -4.718 1.00 0.00 O ATOM 0 H ASP A1040 -2.701 -10.133 -2.803 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.733 -11.923 -2.223 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -4.995 -10.102 -3.805 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -3.813 -10.807 -4.891 1.00 0.00 H new ATOM 1925 N GLN A1041 -2.395 -13.128 -4.220 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.765 -14.329 -4.705 1.00 0.00 C ATOM 1927 C GLN A1041 -0.928 -14.988 -3.619 1.00 0.00 C ATOM 1928 O GLN A1041 -0.684 -16.165 -3.704 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.922 -14.060 -5.945 1.00 0.00 C ATOM 1930 CG GLN A1041 -1.767 -13.754 -7.174 1.00 0.00 C ATOM 1931 CD GLN A1041 -0.944 -13.488 -8.420 1.00 0.00 C ATOM 1932 OE1 GLN A1041 0.230 -12.906 -8.252 1.00 0.00 O flip ATOM 1933 NE2 GLN A1041 -1.373 -13.798 -9.533 1.00 0.00 N flip ATOM 0 H GLN A1041 -1.932 -12.265 -4.504 1.00 0.00 H new ATOM 0 HA GLN A1041 -2.561 -15.018 -4.988 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -0.254 -13.221 -5.750 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -0.294 -14.927 -6.148 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -2.438 -14.592 -7.363 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -2.393 -12.885 -6.969 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -2.285 -14.246 -9.621 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -0.816 -13.606 -10.366 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.458 -14.235 -2.618 1.00 0.00 N ATOM 1943 CA ALA A1042 0.198 -14.833 -1.458 1.00 0.00 C ATOM 1944 C ALA A1042 -0.685 -15.880 -0.795 1.00 0.00 C ATOM 1945 O ALA A1042 -0.283 -17.018 -0.616 1.00 0.00 O ATOM 1946 CB ALA A1042 0.560 -13.777 -0.434 1.00 0.00 C ATOM 0 H ALA A1042 -0.521 -13.217 -2.591 1.00 0.00 H new ATOM 0 HA ALA A1042 1.106 -15.314 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A1042 1.047 -14.249 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.238 -13.052 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.345 -13.269 -0.100 1.00 0.00 H new ATOM 1952 N ARG A1043 -1.886 -15.491 -0.410 1.00 0.00 N ATOM 1953 CA ARG A1043 -2.830 -16.447 0.159 1.00 0.00 C ATOM 1954 C ARG A1043 -3.055 -17.624 -0.806 1.00 0.00 C ATOM 1955 O ARG A1043 -3.307 -18.750 -0.377 1.00 0.00 O ATOM 1956 CB ARG A1043 -4.148 -15.758 0.500 1.00 0.00 C ATOM 1957 CG ARG A1043 -4.683 -16.095 1.892 1.00 0.00 C ATOM 1958 CD ARG A1043 -3.694 -15.727 2.994 1.00 0.00 C ATOM 1959 NE ARG A1043 -4.370 -15.459 4.268 1.00 0.00 N ATOM 1960 CZ ARG A1043 -3.765 -15.427 5.456 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -2.489 -15.775 5.575 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -4.454 -15.067 6.533 1.00 0.00 N ATOM 0 H ARG A1043 -2.232 -14.534 -0.477 1.00 0.00 H new ATOM 0 HA ARG A1043 -2.408 -16.844 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -4.012 -14.679 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -4.895 -16.037 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.621 -15.566 2.057 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -4.905 -17.161 1.946 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.979 -16.539 3.126 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -3.125 -14.847 2.693 1.00 0.00 H new ATOM 0 HE ARG A1043 -5.375 -15.285 4.243 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -1.962 -16.070 4.753 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -2.036 -15.747 6.488 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -5.439 -14.817 6.448 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -3.998 -15.040 7.445 1.00 0.00 H new ATOM 1976 N LEU A1044 -2.945 -17.359 -2.108 1.00 0.00 N ATOM 1977 CA LEU A1044 -2.985 -18.423 -3.112 1.00 0.00 C ATOM 1978 C LEU A1044 -1.665 -19.208 -3.120 1.00 0.00 C ATOM 1979 O LEU A1044 -1.662 -20.417 -3.310 1.00 0.00 O ATOM 1980 CB LEU A1044 -3.263 -17.839 -4.499 1.00 0.00 C ATOM 1981 CG LEU A1044 -3.476 -18.865 -5.614 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -4.685 -19.738 -5.312 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -3.645 -18.162 -6.953 1.00 0.00 C ATOM 0 H LEU A1044 -2.828 -16.421 -2.491 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.793 -19.108 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -4.148 -17.206 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.429 -17.194 -4.777 1.00 0.00 H new ATOM 0 HG LEU A1044 -2.596 -19.506 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -4.821 -20.462 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -4.527 -20.266 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -5.574 -19.113 -5.232 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -3.796 -18.904 -7.737 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -4.509 -17.499 -6.910 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -2.751 -17.578 -7.173 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.557 -18.491 -2.921 1.00 0.00 N ATOM 1996 CA LYS A1045 0.777 -19.073 -2.755 1.00 0.00 C ATOM 1997 C LYS A1045 0.753 -20.110 -1.648 1.00 0.00 C ATOM 1998 O LYS A1045 1.391 -21.159 -1.735 1.00 0.00 O ATOM 1999 CB LYS A1045 1.789 -17.975 -2.381 1.00 0.00 C ATOM 2000 CG LYS A1045 2.759 -17.579 -3.484 1.00 0.00 C ATOM 2001 CD LYS A1045 2.088 -16.828 -4.627 1.00 0.00 C ATOM 2002 CE LYS A1045 3.098 -16.436 -5.695 1.00 0.00 C ATOM 2003 NZ LYS A1045 2.490 -15.627 -6.786 1.00 0.00 N ATOM 0 H LYS A1045 -0.561 -17.472 -2.870 1.00 0.00 H new ATOM 0 HA LYS A1045 1.071 -19.540 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.238 -17.088 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A1045 2.364 -18.313 -1.519 1.00 0.00 H new ATOM 0 HG2 LYS A1045 3.547 -16.956 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A1045 3.238 -18.475 -3.878 1.00 0.00 H new ATOM 0 HD2 LYS A1045 1.311 -17.452 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A1045 1.598 -15.934 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A1045 3.907 -15.869 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A1045 3.541 -17.337 -6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 3.097 -15.670 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 1.549 -16.006 -7.016 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 2.399 -14.639 -6.476 1.00 0.00 H new ATOM 2017 N MET A1046 0.008 -19.794 -0.605 1.00 0.00 N ATOM 2018 CA MET A1046 -0.159 -20.697 0.520 1.00 0.00 C ATOM 2019 C MET A1046 -0.795 -21.996 0.042 1.00 0.00 C ATOM 2020 O MET A1046 -0.351 -23.090 0.388 1.00 0.00 O ATOM 2021 CB MET A1046 -1.025 -20.034 1.587 1.00 0.00 C ATOM 2022 CG MET A1046 -1.134 -20.830 2.872 1.00 0.00 C ATOM 2023 SD MET A1046 -2.149 -19.998 4.112 1.00 0.00 S ATOM 2024 CE MET A1046 -2.081 -21.179 5.458 1.00 0.00 C ATOM 0 H MET A1046 -0.495 -18.911 -0.513 1.00 0.00 H new ATOM 0 HA MET A1046 0.814 -20.925 0.955 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.614 -19.050 1.814 1.00 0.00 H new ATOM 0 HB3 MET A1046 -2.025 -19.876 1.183 1.00 0.00 H new ATOM 0 HG2 MET A1046 -1.560 -21.809 2.655 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.136 -21.000 3.277 1.00 0.00 H new ATOM 0 HE1 MET A1046 -2.663 -20.805 6.300 1.00 0.00 H new ATOM 0 HE2 MET A1046 -2.493 -22.132 5.127 1.00 0.00 H new ATOM 0 HE3 MET A1046 -1.045 -21.319 5.767 1.00 0.00 H new ATOM 2034 N ILE A1047 -1.820 -21.855 -0.790 1.00 0.00 N ATOM 2035 CA ILE A1047 -2.497 -22.999 -1.393 1.00 0.00 C ATOM 2036 C ILE A1047 -1.595 -23.668 -2.428 1.00 0.00 C ATOM 2037 O ILE A1047 -1.681 -24.871 -2.657 1.00 0.00 O ATOM 2038 CB ILE A1047 -3.817 -22.570 -2.069 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -4.688 -21.808 -1.072 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -4.568 -23.776 -2.623 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -5.071 -22.615 0.153 1.00 0.00 C ATOM 0 H ILE A1047 -2.204 -20.951 -1.065 1.00 0.00 H new ATOM 0 HA ILE A1047 -2.723 -23.707 -0.596 1.00 0.00 H new ATOM 0 HB ILE A1047 -3.578 -21.914 -2.906 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.157 -20.911 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.596 -21.478 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.493 -23.444 -3.093 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -3.947 -24.283 -3.362 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -4.801 -24.464 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -5.689 -22.005 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -5.631 -23.499 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -4.169 -22.922 0.683 1.00 0.00 H new ATOM 2053 N SER A1048 -0.720 -22.874 -3.029 1.00 0.00 N ATOM 2054 CA SER A1048 0.182 -23.345 -4.072 1.00 0.00 C ATOM 2055 C SER A1048 1.076 -24.479 -3.567 1.00 0.00 C ATOM 2056 O SER A1048 1.099 -25.562 -4.152 1.00 0.00 O ATOM 2057 CB SER A1048 1.026 -22.176 -4.589 1.00 0.00 C ATOM 2058 OG SER A1048 0.203 -21.175 -5.167 1.00 0.00 O ATOM 0 H SER A1048 -0.615 -21.884 -2.807 1.00 0.00 H new ATOM 0 HA SER A1048 -0.415 -23.744 -4.892 1.00 0.00 H new ATOM 0 HB2 SER A1048 1.604 -21.749 -3.769 1.00 0.00 H new ATOM 0 HB3 SER A1048 1.741 -22.537 -5.329 1.00 0.00 H new ATOM 0 HG SER A1048 -0.503 -20.926 -4.534 1.00 0.00 H new ATOM 2064 N GLN A1049 1.794 -24.249 -2.473 1.00 0.00 N ATOM 2065 CA GLN A1049 2.651 -25.290 -1.915 1.00 0.00 C ATOM 2066 C GLN A1049 1.816 -26.275 -1.094 1.00 0.00 C ATOM 2067 O GLN A1049 2.275 -27.360 -0.735 1.00 0.00 O ATOM 2068 CB GLN A1049 3.781 -24.684 -1.074 1.00 0.00 C ATOM 2069 CG GLN A1049 4.816 -25.709 -0.627 1.00 0.00 C ATOM 2070 CD GLN A1049 6.108 -25.082 -0.149 1.00 0.00 C ATOM 2071 OE1 GLN A1049 7.030 -24.867 -0.934 1.00 0.00 O ATOM 2072 NE2 GLN A1049 6.186 -24.788 1.138 1.00 0.00 N ATOM 0 H GLN A1049 1.801 -23.366 -1.962 1.00 0.00 H new ATOM 0 HA GLN A1049 3.115 -25.834 -2.738 1.00 0.00 H new ATOM 0 HB2 GLN A1049 4.278 -23.905 -1.653 1.00 0.00 H new ATOM 0 HB3 GLN A1049 3.352 -24.203 -0.195 1.00 0.00 H new ATOM 0 HG2 GLN A1049 4.395 -26.315 0.175 1.00 0.00 H new ATOM 0 HG3 GLN A1049 5.032 -26.383 -1.456 1.00 0.00 H new ATOM 0 HE21 GLN A1049 5.397 -24.983 1.754 1.00 0.00 H new ATOM 0 HE22 GLN A1049 7.035 -24.366 1.514 1.00 0.00 H new