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 954 MET CE :methyl -124:sc= -7.38! (180deg=-11.7!) USER MOD Set 1.2: A1021 MET CE :methyl -171:sc= -0.0117 (180deg=-0.178) USER MOD Set 2.1: A 986 MET CE :methyl -135:sc= -0.49 (180deg=-1.06) USER MOD Set 2.2: A1034 ASN : amide:sc= -0.399 X(o=-0.89,f=-1.2) USER MOD Single : A 921 SER OG : rot 180:sc= 0 USER MOD Single : A 922 ASN : amide:sc= -0.597 X(o=-0.6,f=-0.71) USER MOD Single : A 924 LYS NZ :NH3+ -168:sc= -0.0888 (180deg=-0.302) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -4.81! C(o=-4.8!,f=-9.5!) USER MOD Single : A 930 THR OG1 : rot -84:sc= 1.25 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl 169:sc= -3.47! (180deg=-3.6!) USER MOD Single : A 940 SER OG : rot 68:sc= 0.554 USER MOD Single : A 941 SER OG : rot 180:sc= -0.142 USER MOD Single : A 942 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.125) USER MOD Single : A 944 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 951 TYR OH : rot 180:sc= 0 USER MOD Single : A 956 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00388) USER MOD Single : A 964 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 968 THR OG1 : rot 80:sc= -0.749 USER MOD Single : A 972 SER OG : rot -100:sc= -4.17! USER MOD Single : A 979 SER OG : rot 12:sc= 1.25 USER MOD Single : A 980 THR OG1 : rot -174:sc= -1.47 USER MOD Single : A 981 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.3!) USER MOD Single : A 988 GLN : amide:sc= -2.17! C(o=-2.2!,f=-4!) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 993 SER OG : rot 18:sc= 0.859 USER MOD Single : A1000 ASN : amide:sc= 0.767 K(o=0.77,f=-0.99) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1002 MET CE :methyl -119:sc= -1.31 (180deg=-4.2!) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.6) USER MOD Single : A1007 GLN : amide:sc= -0.0385 X(o=-0.038,f=-0.24) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1014 GLN : amide:sc= -2.73 X(o=-2.7,f=-2.7!) USER MOD Single : A1015 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.105) USER MOD Single : A1019 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.125) USER MOD Single : A1020 GLN : amide:sc= -0.057 K(o=-0.057,f=-0.64) USER MOD Single : A1023 THR OG1 : rot 71:sc= 1.19 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A1033 LYS NZ :NH3+ 163:sc= -0.0357 (180deg=-0.258) USER MOD Single : A1041 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.0023) USER MOD Single : A1045 LYS NZ :NH3+ 174:sc= 0.928 (180deg=0.907) USER MOD Single : A1046 MET CE :methyl -153:sc= -0.32 (180deg=-1.12) USER MOD Single : A1048 SER OG : rot 62:sc= 0.984 USER MOD Single : A1049 GLN :FLIP amide:sc= -0.113 F(o=-0.66,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -8.290 -20.061 -2.628 1.00 0.00 N ATOM 2 CA ARG A 920 -8.340 -19.198 -1.463 1.00 0.00 C ATOM 3 C ARG A 920 -9.071 -17.915 -1.790 1.00 0.00 C ATOM 4 O ARG A 920 -8.681 -17.191 -2.708 1.00 0.00 O ATOM 5 CB ARG A 920 -6.932 -18.839 -0.991 1.00 0.00 C ATOM 6 CG ARG A 920 -6.921 -17.993 0.270 1.00 0.00 C ATOM 7 CD ARG A 920 -7.381 -18.794 1.472 1.00 0.00 C ATOM 8 NE ARG A 920 -7.696 -17.949 2.626 1.00 0.00 N ATOM 9 CZ ARG A 920 -8.005 -18.430 3.833 1.00 0.00 C ATOM 10 NH1 ARG A 920 -8.082 -19.737 4.028 1.00 0.00 N ATOM 11 NH2 ARG A 920 -8.265 -17.609 4.844 1.00 0.00 N ATOM 0 HA ARG A 920 -8.864 -19.739 -0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.372 -19.756 -0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -6.415 -18.301 -1.786 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -5.915 -17.612 0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -7.570 -17.128 0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -8.262 -19.375 1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -6.603 -19.505 1.749 1.00 0.00 H new ATOM 0 HE ARG A 920 -7.678 -16.937 2.501 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -7.905 -20.379 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -8.318 -20.102 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -8.230 -16.599 4.703 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -8.500 -17.988 5.761 1.00 0.00 H new ATOM 25 N SER A 921 -10.131 -17.641 -1.057 1.00 0.00 N ATOM 26 CA SER A 921 -10.694 -16.313 -1.052 1.00 0.00 C ATOM 27 C SER A 921 -9.623 -15.369 -0.526 1.00 0.00 C ATOM 28 O SER A 921 -9.035 -15.634 0.526 1.00 0.00 O ATOM 29 CB SER A 921 -11.933 -16.271 -0.167 1.00 0.00 C ATOM 30 OG SER A 921 -12.905 -17.205 -0.606 1.00 0.00 O ATOM 0 H SER A 921 -10.614 -18.315 -0.463 1.00 0.00 H new ATOM 0 HA SER A 921 -10.999 -16.017 -2.056 1.00 0.00 H new ATOM 0 HB2 SER A 921 -11.655 -16.488 0.864 1.00 0.00 H new ATOM 0 HB3 SER A 921 -12.358 -15.267 -0.178 1.00 0.00 H new ATOM 0 HG SER A 921 -13.690 -17.160 -0.021 1.00 0.00 H new ATOM 36 N ASN A 922 -9.334 -14.319 -1.284 1.00 0.00 N ATOM 37 CA ASN A 922 -8.209 -13.452 -1.013 1.00 0.00 C ATOM 38 C ASN A 922 -8.348 -12.719 0.301 1.00 0.00 C ATOM 39 O ASN A 922 -8.735 -11.550 0.349 1.00 0.00 O ATOM 40 CB ASN A 922 -7.992 -12.469 -2.150 1.00 0.00 C ATOM 41 CG ASN A 922 -8.632 -12.933 -3.442 1.00 0.00 C ATOM 42 OD1 ASN A 922 -9.751 -12.538 -3.778 1.00 0.00 O ATOM 43 ND2 ASN A 922 -7.946 -13.811 -4.155 1.00 0.00 N ATOM 0 H ASN A 922 -9.878 -14.049 -2.104 1.00 0.00 H new ATOM 0 HA ASN A 922 -7.332 -14.094 -0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -8.403 -11.499 -1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -6.922 -12.329 -2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -8.340 -14.187 -5.018 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -7.023 -14.112 -3.842 1.00 0.00 H new ATOM 50 N ASP A 923 -7.936 -13.445 1.327 1.00 0.00 N ATOM 51 CA ASP A 923 -8.023 -13.093 2.739 1.00 0.00 C ATOM 52 C ASP A 923 -7.547 -11.665 3.024 1.00 0.00 C ATOM 53 O ASP A 923 -7.273 -10.896 2.117 1.00 0.00 O ATOM 54 CB ASP A 923 -7.178 -14.124 3.498 1.00 0.00 C ATOM 55 CG ASP A 923 -7.432 -14.180 4.990 1.00 0.00 C ATOM 56 OD1 ASP A 923 -8.308 -14.955 5.411 1.00 0.00 O ATOM 57 OD2 ASP A 923 -6.717 -13.490 5.743 1.00 0.00 O ATOM 0 H ASP A 923 -7.502 -14.358 1.189 1.00 0.00 H new ATOM 0 HA ASP A 923 -9.063 -13.114 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -7.367 -15.110 3.074 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -6.124 -13.902 3.331 1.00 0.00 H new ATOM 62 N LYS A 924 -7.487 -11.323 4.300 1.00 0.00 N ATOM 63 CA LYS A 924 -7.058 -9.998 4.782 1.00 0.00 C ATOM 64 C LYS A 924 -5.931 -9.407 3.915 1.00 0.00 C ATOM 65 O LYS A 924 -5.793 -8.189 3.809 1.00 0.00 O ATOM 66 CB LYS A 924 -6.578 -10.126 6.238 1.00 0.00 C ATOM 67 CG LYS A 924 -6.883 -8.927 7.132 1.00 0.00 C ATOM 68 CD LYS A 924 -6.140 -7.676 6.695 1.00 0.00 C ATOM 69 CE LYS A 924 -6.417 -6.499 7.616 1.00 0.00 C ATOM 70 NZ LYS A 924 -7.875 -6.250 7.783 1.00 0.00 N ATOM 0 H LYS A 924 -7.738 -11.963 5.054 1.00 0.00 H new ATOM 0 HA LYS A 924 -7.910 -9.321 4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -7.036 -11.012 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.501 -10.292 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -7.955 -8.732 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -6.613 -9.166 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -5.069 -7.878 6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -6.433 -7.417 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -5.968 -6.689 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -5.941 -5.605 7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -8.019 -5.330 8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -8.335 -6.245 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -8.290 -7.001 8.370 1.00 0.00 H new ATOM 84 N VAL A 925 -5.146 -10.278 3.283 1.00 0.00 N ATOM 85 CA VAL A 925 -4.120 -9.854 2.361 1.00 0.00 C ATOM 86 C VAL A 925 -4.680 -8.969 1.246 1.00 0.00 C ATOM 87 O VAL A 925 -4.231 -7.837 1.099 1.00 0.00 O ATOM 88 CB VAL A 925 -3.405 -11.066 1.726 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.406 -11.671 2.703 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.409 -12.122 1.289 1.00 0.00 C ATOM 0 H VAL A 925 -5.211 -11.289 3.402 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.406 -9.272 2.944 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.868 -10.714 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -1.912 -12.524 2.237 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.661 -10.922 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -2.929 -12.000 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.880 -12.965 0.845 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -4.977 -12.465 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.091 -11.694 0.554 1.00 0.00 H new ATOM 100 N TYR A 926 -5.712 -9.415 0.517 1.00 0.00 N ATOM 101 CA TYR A 926 -6.166 -8.638 -0.626 1.00 0.00 C ATOM 102 C TYR A 926 -6.950 -7.440 -0.118 1.00 0.00 C ATOM 103 O TYR A 926 -6.908 -6.344 -0.686 1.00 0.00 O ATOM 104 CB TYR A 926 -7.035 -9.491 -1.548 1.00 0.00 C ATOM 105 CG TYR A 926 -7.910 -8.689 -2.484 1.00 0.00 C ATOM 106 CD1 TYR A 926 -7.377 -8.035 -3.586 1.00 0.00 C ATOM 107 CD2 TYR A 926 -9.274 -8.576 -2.249 1.00 0.00 C ATOM 108 CE1 TYR A 926 -8.181 -7.293 -4.432 1.00 0.00 C ATOM 109 CE2 TYR A 926 -10.083 -7.837 -3.085 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.533 -7.197 -4.176 1.00 0.00 C ATOM 111 OH TYR A 926 -10.341 -6.452 -5.006 1.00 0.00 O ATOM 0 H TYR A 926 -6.227 -10.278 0.694 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.305 -8.299 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.390 -10.142 -2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.668 -10.136 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -6.318 -8.107 -3.786 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -9.709 -9.076 -1.396 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -7.753 -6.792 -5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -11.142 -7.759 -2.887 1.00 0.00 H new ATOM 0 HH TYR A 926 -11.266 -6.491 -4.684 1.00 0.00 H new ATOM 121 N GLU A 927 -7.644 -7.671 0.988 1.00 0.00 N ATOM 122 CA GLU A 927 -8.556 -6.702 1.562 1.00 0.00 C ATOM 123 C GLU A 927 -7.816 -5.477 2.085 1.00 0.00 C ATOM 124 O GLU A 927 -8.215 -4.340 1.832 1.00 0.00 O ATOM 125 CB GLU A 927 -9.341 -7.353 2.698 1.00 0.00 C ATOM 126 CG GLU A 927 -10.797 -6.929 2.741 1.00 0.00 C ATOM 127 CD GLU A 927 -11.133 -6.118 3.975 1.00 0.00 C ATOM 128 OE1 GLU A 927 -10.887 -4.890 3.984 1.00 0.00 O ATOM 129 OE2 GLU A 927 -11.656 -6.700 4.943 1.00 0.00 O ATOM 0 H GLU A 927 -7.587 -8.544 1.513 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.237 -6.372 0.778 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -9.288 -8.437 2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -8.868 -7.102 3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -11.027 -6.342 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -11.430 -7.815 2.710 1.00 0.00 H new ATOM 136 N ASN A 928 -6.739 -5.703 2.815 1.00 0.00 N ATOM 137 CA ASN A 928 -6.031 -4.604 3.452 1.00 0.00 C ATOM 138 C ASN A 928 -5.237 -3.788 2.444 1.00 0.00 C ATOM 139 O ASN A 928 -5.148 -2.573 2.566 1.00 0.00 O ATOM 140 CB ASN A 928 -5.102 -5.107 4.543 1.00 0.00 C ATOM 141 CG ASN A 928 -4.657 -3.990 5.462 1.00 0.00 C ATOM 142 OD1 ASN A 928 -5.283 -3.736 6.487 1.00 0.00 O ATOM 143 ND2 ASN A 928 -3.590 -3.301 5.094 1.00 0.00 N ATOM 0 H ASN A 928 -6.338 -6.626 2.981 1.00 0.00 H new ATOM 0 HA ASN A 928 -6.788 -3.960 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.609 -5.877 5.125 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -4.228 -5.574 4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -3.259 -2.527 5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -3.097 -3.544 4.234 1.00 0.00 H new ATOM 150 N VAL A 929 -4.621 -4.449 1.473 1.00 0.00 N ATOM 151 CA VAL A 929 -3.873 -3.728 0.449 1.00 0.00 C ATOM 152 C VAL A 929 -4.794 -2.862 -0.408 1.00 0.00 C ATOM 153 O VAL A 929 -4.408 -1.781 -0.847 1.00 0.00 O ATOM 154 CB VAL A 929 -3.054 -4.663 -0.452 1.00 0.00 C ATOM 155 CG1 VAL A 929 -2.089 -3.853 -1.297 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.300 -5.672 0.380 1.00 0.00 C ATOM 0 H VAL A 929 -4.622 -5.464 1.372 1.00 0.00 H new ATOM 0 HA VAL A 929 -3.174 -3.085 0.984 1.00 0.00 H new ATOM 0 HB VAL A 929 -3.736 -5.201 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -1.512 -4.523 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -2.648 -3.154 -1.919 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -1.413 -3.298 -0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.725 -6.327 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -1.623 -5.152 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.006 -6.267 0.958 1.00 0.00 H new ATOM 166 N THR A 930 -6.016 -3.317 -0.638 1.00 0.00 N ATOM 167 CA THR A 930 -6.998 -2.458 -1.278 1.00 0.00 C ATOM 168 C THR A 930 -7.442 -1.394 -0.278 1.00 0.00 C ATOM 169 O THR A 930 -7.839 -0.291 -0.648 1.00 0.00 O ATOM 170 CB THR A 930 -8.210 -3.246 -1.822 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.603 -4.262 -0.895 1.00 0.00 O ATOM 172 CG2 THR A 930 -7.883 -3.879 -3.166 1.00 0.00 C ATOM 0 H THR A 930 -6.345 -4.252 -0.398 1.00 0.00 H new ATOM 0 HA THR A 930 -6.532 -1.987 -2.144 1.00 0.00 H new ATOM 0 HB THR A 930 -9.034 -2.545 -1.955 1.00 0.00 H new ATOM 0 HG1 THR A 930 -8.053 -5.061 -1.033 1.00 0.00 H new ATOM 0 HG21 THR A 930 -8.751 -4.429 -3.530 1.00 0.00 H new ATOM 0 HG22 THR A 930 -7.621 -3.099 -3.881 1.00 0.00 H new ATOM 0 HG23 THR A 930 -7.042 -4.563 -3.051 1.00 0.00 H new ATOM 180 N GLY A 931 -7.355 -1.752 1.001 1.00 0.00 N ATOM 181 CA GLY A 931 -7.490 -0.783 2.072 1.00 0.00 C ATOM 182 C GLY A 931 -6.423 0.302 2.009 1.00 0.00 C ATOM 183 O GLY A 931 -6.671 1.437 2.409 1.00 0.00 O ATOM 0 H GLY A 931 -7.191 -2.708 1.315 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.477 -0.322 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.428 -1.295 3.032 1.00 0.00 H new ATOM 187 N LEU A 932 -5.235 -0.039 1.499 1.00 0.00 N ATOM 188 CA LEU A 932 -4.182 0.948 1.292 1.00 0.00 C ATOM 189 C LEU A 932 -4.683 1.969 0.272 1.00 0.00 C ATOM 190 O LEU A 932 -4.457 3.172 0.403 1.00 0.00 O ATOM 191 CB LEU A 932 -2.898 0.245 0.812 1.00 0.00 C ATOM 192 CG LEU A 932 -1.563 0.956 1.097 1.00 0.00 C ATOM 193 CD1 LEU A 932 -0.398 0.030 0.782 1.00 0.00 C ATOM 194 CD2 LEU A 932 -1.433 2.239 0.290 1.00 0.00 C ATOM 0 H LEU A 932 -4.984 -0.989 1.224 1.00 0.00 H new ATOM 0 HA LEU A 932 -3.941 1.464 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -2.861 -0.743 1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -2.977 0.093 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 932 -1.545 1.217 2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.541 0.544 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -0.466 -0.864 1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -0.433 -0.254 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -0.479 2.716 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -1.480 2.006 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -2.247 2.916 0.549 1.00 0.00 H new ATOM 206 N VAL A 933 -5.409 1.467 -0.723 1.00 0.00 N ATOM 207 CA VAL A 933 -6.065 2.319 -1.705 1.00 0.00 C ATOM 208 C VAL A 933 -7.153 3.167 -1.038 1.00 0.00 C ATOM 209 O VAL A 933 -7.298 4.348 -1.330 1.00 0.00 O ATOM 210 CB VAL A 933 -6.688 1.483 -2.844 1.00 0.00 C ATOM 211 CG1 VAL A 933 -7.383 2.377 -3.858 1.00 0.00 C ATOM 212 CG2 VAL A 933 -5.628 0.628 -3.524 1.00 0.00 C ATOM 0 H VAL A 933 -5.557 0.468 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 933 -5.306 2.975 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 933 -7.436 0.822 -2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -7.813 1.763 -4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -8.175 2.940 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -6.660 3.070 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -6.087 0.047 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -4.854 1.272 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -5.182 -0.048 -2.794 1.00 0.00 H new ATOM 222 N LYS A 934 -7.907 2.556 -0.133 1.00 0.00 N ATOM 223 CA LYS A 934 -8.943 3.269 0.614 1.00 0.00 C ATOM 224 C LYS A 934 -8.323 4.401 1.430 1.00 0.00 C ATOM 225 O LYS A 934 -8.931 5.453 1.618 1.00 0.00 O ATOM 226 CB LYS A 934 -9.694 2.329 1.568 1.00 0.00 C ATOM 227 CG LYS A 934 -10.201 1.029 0.952 1.00 0.00 C ATOM 228 CD LYS A 934 -11.255 1.245 -0.125 1.00 0.00 C ATOM 229 CE LYS A 934 -10.640 1.315 -1.516 1.00 0.00 C ATOM 230 NZ LYS A 934 -11.671 1.191 -2.577 1.00 0.00 N ATOM 0 H LYS A 934 -7.823 1.567 0.104 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.648 3.673 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -9.034 2.082 2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.545 2.868 1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.359 0.485 0.523 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -10.619 0.401 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -11.982 0.433 -0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -11.798 2.168 0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -10.109 2.260 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.903 0.520 -1.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.216 1.243 -3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -12.160 0.278 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -12.360 1.965 -2.484 1.00 0.00 H new ATOM 244 N ALA A 935 -7.108 4.179 1.907 1.00 0.00 N ATOM 245 CA ALA A 935 -6.416 5.166 2.718 1.00 0.00 C ATOM 246 C ALA A 935 -5.809 6.270 1.860 1.00 0.00 C ATOM 247 O ALA A 935 -5.604 7.385 2.330 1.00 0.00 O ATOM 248 CB ALA A 935 -5.359 4.503 3.572 1.00 0.00 C ATOM 0 H ALA A 935 -6.580 3.321 1.745 1.00 0.00 H new ATOM 0 HA ALA A 935 -7.150 5.631 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -4.851 5.257 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -5.829 3.771 4.229 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.634 4.002 2.930 1.00 0.00 H new ATOM 254 N VAL A 936 -5.499 5.973 0.604 1.00 0.00 N ATOM 255 CA VAL A 936 -5.088 7.030 -0.307 1.00 0.00 C ATOM 256 C VAL A 936 -6.329 7.718 -0.877 1.00 0.00 C ATOM 257 O VAL A 936 -6.259 8.797 -1.470 1.00 0.00 O ATOM 258 CB VAL A 936 -4.125 6.531 -1.415 1.00 0.00 C ATOM 259 CG1 VAL A 936 -4.799 5.547 -2.352 1.00 0.00 C ATOM 260 CG2 VAL A 936 -3.542 7.696 -2.197 1.00 0.00 C ATOM 0 H VAL A 936 -5.523 5.036 0.202 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.510 7.762 0.257 1.00 0.00 H new ATOM 0 HB VAL A 936 -3.311 6.006 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -4.088 5.223 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -5.143 4.682 -1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -5.651 6.028 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -2.870 7.317 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -4.349 8.260 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.988 8.347 -1.521 1.00 0.00 H new ATOM 270 N ILE A 937 -7.481 7.094 -0.655 1.00 0.00 N ATOM 271 CA ILE A 937 -8.749 7.780 -0.828 1.00 0.00 C ATOM 272 C ILE A 937 -8.894 8.806 0.296 1.00 0.00 C ATOM 273 O ILE A 937 -9.326 9.934 0.068 1.00 0.00 O ATOM 274 CB ILE A 937 -9.957 6.814 -0.829 1.00 0.00 C ATOM 275 CG1 ILE A 937 -9.883 5.872 -2.034 1.00 0.00 C ATOM 276 CG2 ILE A 937 -11.271 7.587 -0.838 1.00 0.00 C ATOM 277 CD1 ILE A 937 -11.044 4.904 -2.130 1.00 0.00 C ATOM 0 H ILE A 937 -7.559 6.122 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.746 8.267 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 937 -9.919 6.219 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -9.843 6.468 -2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -8.954 5.305 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -12.106 6.886 -0.839 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -11.328 8.218 0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -11.320 8.210 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -10.919 4.272 -3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -11.073 4.281 -1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -11.977 5.462 -2.214 1.00 0.00 H new ATOM 289 N GLU A 938 -8.502 8.399 1.510 1.00 0.00 N ATOM 290 CA GLU A 938 -8.372 9.328 2.636 1.00 0.00 C ATOM 291 C GLU A 938 -7.475 10.489 2.251 1.00 0.00 C ATOM 292 O GLU A 938 -7.767 11.637 2.554 1.00 0.00 O ATOM 293 CB GLU A 938 -7.775 8.639 3.865 1.00 0.00 C ATOM 294 CG GLU A 938 -8.685 7.601 4.495 1.00 0.00 C ATOM 295 CD GLU A 938 -9.989 8.197 4.979 1.00 0.00 C ATOM 296 OE1 GLU A 938 -9.967 8.972 5.959 1.00 0.00 O ATOM 297 OE2 GLU A 938 -11.045 7.889 4.388 1.00 0.00 O ATOM 0 H GLU A 938 -8.270 7.432 1.736 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.372 9.685 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.838 8.161 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.533 9.396 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.895 6.816 3.768 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.170 7.131 5.333 1.00 0.00 H new ATOM 304 N MET A 939 -6.379 10.171 1.578 1.00 0.00 N ATOM 305 CA MET A 939 -5.450 11.183 1.104 1.00 0.00 C ATOM 306 C MET A 939 -6.159 12.172 0.182 1.00 0.00 C ATOM 307 O MET A 939 -5.950 13.380 0.268 1.00 0.00 O ATOM 308 CB MET A 939 -4.277 10.523 0.374 1.00 0.00 C ATOM 309 CG MET A 939 -3.318 11.510 -0.267 1.00 0.00 C ATOM 310 SD MET A 939 -1.923 10.712 -1.077 1.00 0.00 S ATOM 311 CE MET A 939 -1.002 12.149 -1.616 1.00 0.00 C ATOM 0 H MET A 939 -6.111 9.214 1.347 1.00 0.00 H new ATOM 0 HA MET A 939 -5.065 11.730 1.965 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.726 9.902 1.080 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.669 9.859 -0.397 1.00 0.00 H new ATOM 0 HG2 MET A 939 -3.859 12.112 -0.997 1.00 0.00 H new ATOM 0 HG3 MET A 939 -2.945 12.194 0.496 1.00 0.00 H new ATOM 0 HE1 MET A 939 -0.016 11.840 -1.962 1.00 0.00 H new ATOM 0 HE2 MET A 939 -1.536 12.639 -2.430 1.00 0.00 H new ATOM 0 HE3 MET A 939 -0.893 12.844 -0.784 1.00 0.00 H new ATOM 321 N SER A 940 -7.019 11.646 -0.673 1.00 0.00 N ATOM 322 CA SER A 940 -7.758 12.470 -1.610 1.00 0.00 C ATOM 323 C SER A 940 -8.763 13.361 -0.879 1.00 0.00 C ATOM 324 O SER A 940 -8.873 14.549 -1.177 1.00 0.00 O ATOM 325 CB SER A 940 -8.454 11.577 -2.640 1.00 0.00 C ATOM 326 OG SER A 940 -7.507 10.754 -3.313 1.00 0.00 O ATOM 0 H SER A 940 -7.222 10.648 -0.737 1.00 0.00 H new ATOM 0 HA SER A 940 -7.062 13.127 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 940 -9.198 10.953 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 940 -8.986 12.194 -3.364 1.00 0.00 H new ATOM 0 HG SER A 940 -7.136 10.100 -2.684 1.00 0.00 H new ATOM 332 N SER A 941 -9.442 12.817 0.125 1.00 0.00 N ATOM 333 CA SER A 941 -10.490 13.564 0.801 1.00 0.00 C ATOM 334 C SER A 941 -9.855 14.579 1.731 1.00 0.00 C ATOM 335 O SER A 941 -10.277 15.734 1.804 1.00 0.00 O ATOM 336 CB SER A 941 -11.417 12.613 1.567 1.00 0.00 C ATOM 337 OG SER A 941 -10.676 11.674 2.332 1.00 0.00 O ATOM 0 H SER A 941 -9.287 11.875 0.483 1.00 0.00 H new ATOM 0 HA SER A 941 -11.097 14.091 0.065 1.00 0.00 H new ATOM 0 HB2 SER A 941 -12.068 13.188 2.225 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.061 12.085 0.864 1.00 0.00 H new ATOM 0 HG SER A 941 -11.293 11.082 2.810 1.00 0.00 H new ATOM 343 N LYS A 942 -8.798 14.132 2.391 1.00 0.00 N ATOM 344 CA LYS A 942 -8.029 14.945 3.311 1.00 0.00 C ATOM 345 C LYS A 942 -7.561 16.240 2.675 1.00 0.00 C ATOM 346 O LYS A 942 -7.746 17.312 3.241 1.00 0.00 O ATOM 347 CB LYS A 942 -6.827 14.142 3.799 1.00 0.00 C ATOM 348 CG LYS A 942 -7.013 13.588 5.190 1.00 0.00 C ATOM 349 CD LYS A 942 -6.912 14.705 6.198 1.00 0.00 C ATOM 350 CE LYS A 942 -7.448 14.292 7.558 1.00 0.00 C ATOM 351 NZ LYS A 942 -6.839 13.025 8.039 1.00 0.00 N ATOM 0 H LYS A 942 -8.447 13.179 2.299 1.00 0.00 H new ATOM 0 HA LYS A 942 -8.674 15.211 4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -6.642 13.319 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -5.942 14.778 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -7.984 13.099 5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -6.256 12.831 5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -5.871 15.012 6.296 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -7.467 15.571 5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -7.252 15.085 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -8.530 14.174 7.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -7.101 12.869 9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -7.185 12.232 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -5.804 13.085 7.960 1.00 0.00 H new ATOM 365 N ILE A 943 -6.966 16.147 1.500 1.00 0.00 N ATOM 366 CA ILE A 943 -6.361 17.313 0.884 1.00 0.00 C ATOM 367 C ILE A 943 -7.417 18.306 0.387 1.00 0.00 C ATOM 368 O ILE A 943 -7.159 19.507 0.333 1.00 0.00 O ATOM 369 CB ILE A 943 -5.415 16.921 -0.280 1.00 0.00 C ATOM 370 CG1 ILE A 943 -4.671 18.152 -0.812 1.00 0.00 C ATOM 371 CG2 ILE A 943 -6.184 16.236 -1.402 1.00 0.00 C ATOM 372 CD1 ILE A 943 -3.627 17.832 -1.860 1.00 0.00 C ATOM 0 H ILE A 943 -6.889 15.286 0.958 1.00 0.00 H new ATOM 0 HA ILE A 943 -5.770 17.800 1.660 1.00 0.00 H new ATOM 0 HB ILE A 943 -4.681 16.215 0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -5.396 18.847 -1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -4.190 18.662 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -5.497 15.972 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -6.659 15.333 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -6.948 16.913 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -3.145 18.753 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -2.879 17.162 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -4.104 17.350 -2.713 1.00 0.00 H new ATOM 384 N GLN A 944 -8.607 17.809 0.043 1.00 0.00 N ATOM 385 CA GLN A 944 -9.650 18.668 -0.515 1.00 0.00 C ATOM 386 C GLN A 944 -9.997 19.851 0.406 1.00 0.00 C ATOM 387 O GLN A 944 -9.782 20.998 0.016 1.00 0.00 O ATOM 388 CB GLN A 944 -10.910 17.866 -0.855 1.00 0.00 C ATOM 389 CG GLN A 944 -10.659 16.744 -1.844 1.00 0.00 C ATOM 390 CD GLN A 944 -11.911 15.961 -2.177 1.00 0.00 C ATOM 391 OE1 GLN A 944 -12.849 15.895 -1.379 1.00 0.00 O ATOM 392 NE2 GLN A 944 -11.918 15.331 -3.339 1.00 0.00 N ATOM 0 H GLN A 944 -8.869 16.828 0.140 1.00 0.00 H new ATOM 0 HA GLN A 944 -9.243 19.084 -1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -11.324 17.447 0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -11.662 18.540 -1.265 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -10.243 17.161 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -9.911 16.066 -1.434 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -11.120 15.414 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -12.722 14.762 -3.606 1.00 0.00 H new ATOM 401 N PRO A 945 -10.523 19.627 1.635 1.00 0.00 N ATOM 402 CA PRO A 945 -10.955 20.727 2.490 1.00 0.00 C ATOM 403 C PRO A 945 -9.924 21.154 3.541 1.00 0.00 C ATOM 404 O PRO A 945 -10.070 22.205 4.166 1.00 0.00 O ATOM 405 CB PRO A 945 -12.184 20.129 3.169 1.00 0.00 C ATOM 406 CG PRO A 945 -11.903 18.659 3.264 1.00 0.00 C ATOM 407 CD PRO A 945 -10.794 18.345 2.282 1.00 0.00 C ATOM 0 HA PRO A 945 -11.127 21.639 1.918 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -12.340 20.565 4.156 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -13.087 20.321 2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -11.606 18.390 4.278 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -12.797 18.081 3.030 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -9.910 17.958 2.789 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.103 17.590 1.559 1.00 0.00 H new ATOM 415 N ALA A 946 -8.886 20.358 3.738 1.00 0.00 N ATOM 416 CA ALA A 946 -7.953 20.595 4.831 1.00 0.00 C ATOM 417 C ALA A 946 -6.727 21.384 4.376 1.00 0.00 C ATOM 418 O ALA A 946 -6.340 21.332 3.208 1.00 0.00 O ATOM 419 CB ALA A 946 -7.549 19.274 5.457 1.00 0.00 C ATOM 0 H ALA A 946 -8.667 19.546 3.160 1.00 0.00 H new ATOM 0 HA ALA A 946 -8.458 21.205 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -6.851 19.457 6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -8.434 18.768 5.842 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -7.071 18.646 4.705 1.00 0.00 H new ATOM 425 N PRO A 947 -6.112 22.141 5.305 1.00 0.00 N ATOM 426 CA PRO A 947 -4.945 22.988 5.021 1.00 0.00 C ATOM 427 C PRO A 947 -3.649 22.178 4.904 1.00 0.00 C ATOM 428 O PRO A 947 -3.663 20.959 5.066 1.00 0.00 O ATOM 429 CB PRO A 947 -4.882 23.933 6.240 1.00 0.00 C ATOM 430 CG PRO A 947 -6.097 23.640 7.060 1.00 0.00 C ATOM 431 CD PRO A 947 -6.504 22.240 6.715 1.00 0.00 C ATOM 0 HA PRO A 947 -5.042 23.506 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -3.973 23.763 6.817 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -4.869 24.976 5.923 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -5.880 23.732 8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -6.898 24.345 6.836 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -5.991 21.503 7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -7.574 22.082 6.852 1.00 0.00 H new ATOM 439 N PRO A 948 -2.503 22.839 4.617 1.00 0.00 N ATOM 440 CA PRO A 948 -1.189 22.173 4.561 1.00 0.00 C ATOM 441 C PRO A 948 -0.850 21.436 5.855 1.00 0.00 C ATOM 442 O PRO A 948 -0.111 20.434 5.854 1.00 0.00 O ATOM 443 CB PRO A 948 -0.212 23.323 4.332 1.00 0.00 C ATOM 444 CG PRO A 948 -1.025 24.391 3.688 1.00 0.00 C ATOM 445 CD PRO A 948 -2.400 24.274 4.280 1.00 0.00 C ATOM 0 HA PRO A 948 -1.158 21.409 3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.221 23.667 5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.616 23.017 3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.599 25.376 3.880 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -1.053 24.262 2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.513 24.904 5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -3.170 24.577 3.571 1.00 0.00 H new ATOM 453 N GLU A 949 -1.415 21.925 6.951 1.00 0.00 N ATOM 454 CA GLU A 949 -1.298 21.265 8.240 1.00 0.00 C ATOM 455 C GLU A 949 -1.791 19.826 8.137 1.00 0.00 C ATOM 456 O GLU A 949 -1.343 18.948 8.871 1.00 0.00 O ATOM 457 CB GLU A 949 -2.106 22.024 9.290 1.00 0.00 C ATOM 458 CG GLU A 949 -1.670 23.471 9.452 1.00 0.00 C ATOM 459 CD GLU A 949 -2.460 24.204 10.513 1.00 0.00 C ATOM 460 OE1 GLU A 949 -2.082 24.119 11.696 1.00 0.00 O ATOM 461 OE2 GLU A 949 -3.451 24.881 10.167 1.00 0.00 O ATOM 0 H GLU A 949 -1.963 22.785 6.970 1.00 0.00 H new ATOM 0 HA GLU A 949 -0.250 21.257 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -3.161 21.998 9.016 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -2.013 21.514 10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -0.611 23.500 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -1.782 23.989 8.499 1.00 0.00 H new ATOM 468 N GLU A 950 -2.704 19.593 7.200 1.00 0.00 N ATOM 469 CA GLU A 950 -3.194 18.256 6.931 1.00 0.00 C ATOM 470 C GLU A 950 -2.553 17.673 5.684 1.00 0.00 C ATOM 471 O GLU A 950 -2.798 16.522 5.365 1.00 0.00 O ATOM 472 CB GLU A 950 -4.703 18.228 6.751 1.00 0.00 C ATOM 473 CG GLU A 950 -5.464 17.608 7.911 1.00 0.00 C ATOM 474 CD GLU A 950 -5.295 18.362 9.209 1.00 0.00 C ATOM 475 OE1 GLU A 950 -5.707 19.536 9.275 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.784 17.766 10.181 1.00 0.00 O ATOM 0 H GLU A 950 -3.118 20.319 6.615 1.00 0.00 H new ATOM 0 HA GLU A 950 -2.926 17.656 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -5.058 19.248 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -4.938 17.675 5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -6.524 17.565 7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -5.127 16.581 8.049 1.00 0.00 H new ATOM 483 N TYR A 951 -1.749 18.460 4.973 1.00 0.00 N ATOM 484 CA TYR A 951 -1.021 17.938 3.816 1.00 0.00 C ATOM 485 C TYR A 951 -0.180 16.753 4.246 1.00 0.00 C ATOM 486 O TYR A 951 -0.141 15.719 3.575 1.00 0.00 O ATOM 487 CB TYR A 951 -0.115 18.998 3.180 1.00 0.00 C ATOM 488 CG TYR A 951 -0.803 19.932 2.212 1.00 0.00 C ATOM 489 CD1 TYR A 951 -2.182 19.922 2.034 1.00 0.00 C ATOM 490 CD2 TYR A 951 -0.052 20.825 1.468 1.00 0.00 C ATOM 491 CE1 TYR A 951 -2.786 20.781 1.132 1.00 0.00 C ATOM 492 CE2 TYR A 951 -0.645 21.685 0.573 1.00 0.00 C ATOM 493 CZ TYR A 951 -2.011 21.662 0.407 1.00 0.00 C ATOM 494 OH TYR A 951 -2.597 22.516 -0.498 1.00 0.00 O ATOM 0 H TYR A 951 -1.585 19.447 5.172 1.00 0.00 H new ATOM 0 HA TYR A 951 -1.755 17.636 3.069 1.00 0.00 H new ATOM 0 HB2 TYR A 951 0.337 19.592 3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.698 18.493 2.658 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.789 19.236 2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 951 1.021 20.847 1.592 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -3.857 20.761 0.997 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.041 22.375 0.003 1.00 0.00 H new ATOM 0 HH TYR A 951 -1.907 23.069 -0.920 1.00 0.00 H new ATOM 504 N VAL A 952 0.480 16.898 5.382 1.00 0.00 N ATOM 505 CA VAL A 952 1.258 15.791 5.917 1.00 0.00 C ATOM 506 C VAL A 952 0.358 14.689 6.538 1.00 0.00 C ATOM 507 O VAL A 952 0.497 13.529 6.165 1.00 0.00 O ATOM 508 CB VAL A 952 2.412 16.253 6.865 1.00 0.00 C ATOM 509 CG1 VAL A 952 2.071 17.533 7.618 1.00 0.00 C ATOM 510 CG2 VAL A 952 2.800 15.149 7.837 1.00 0.00 C ATOM 0 H VAL A 952 0.495 17.750 5.942 1.00 0.00 H new ATOM 0 HA VAL A 952 1.759 15.329 5.066 1.00 0.00 H new ATOM 0 HB VAL A 952 3.268 16.472 6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 952 2.906 17.810 8.262 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.881 18.335 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 952 1.181 17.371 8.227 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.605 15.499 8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 952 1.937 14.880 8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 952 3.137 14.275 7.279 1.00 0.00 H new ATOM 520 N PRO A 953 -0.591 15.001 7.461 1.00 0.00 N ATOM 521 CA PRO A 953 -1.555 14.000 7.969 1.00 0.00 C ATOM 522 C PRO A 953 -2.301 13.241 6.869 1.00 0.00 C ATOM 523 O PRO A 953 -2.656 12.079 7.041 1.00 0.00 O ATOM 524 CB PRO A 953 -2.545 14.846 8.746 1.00 0.00 C ATOM 525 CG PRO A 953 -1.732 15.975 9.246 1.00 0.00 C ATOM 526 CD PRO A 953 -0.768 16.290 8.137 1.00 0.00 C ATOM 0 HA PRO A 953 -1.044 13.228 8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.361 15.191 8.111 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -2.995 14.284 9.565 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -2.357 16.837 9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -1.205 15.705 10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.167 17.046 7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 953 0.176 16.674 8.523 1.00 0.00 H new ATOM 534 N MET A 954 -2.557 13.912 5.759 1.00 0.00 N ATOM 535 CA MET A 954 -3.234 13.304 4.616 1.00 0.00 C ATOM 536 C MET A 954 -2.437 12.117 4.089 1.00 0.00 C ATOM 537 O MET A 954 -2.942 10.992 3.967 1.00 0.00 O ATOM 538 CB MET A 954 -3.397 14.374 3.529 1.00 0.00 C ATOM 539 CG MET A 954 -3.571 13.836 2.126 1.00 0.00 C ATOM 540 SD MET A 954 -2.279 14.414 1.011 1.00 0.00 S ATOM 541 CE MET A 954 -2.455 16.185 1.183 1.00 0.00 C ATOM 0 H MET A 954 -2.304 14.890 5.620 1.00 0.00 H new ATOM 0 HA MET A 954 -4.213 12.932 4.919 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.260 14.992 3.775 1.00 0.00 H new ATOM 0 HB3 MET A 954 -2.523 15.025 3.547 1.00 0.00 H new ATOM 0 HG2 MET A 954 -3.565 12.746 2.153 1.00 0.00 H new ATOM 0 HG3 MET A 954 -4.544 14.140 1.740 1.00 0.00 H new ATOM 0 HE1 MET A 954 -2.619 16.631 0.202 1.00 0.00 H new ATOM 0 HE2 MET A 954 -3.305 16.405 1.829 1.00 0.00 H new ATOM 0 HE3 MET A 954 -1.548 16.600 1.623 1.00 0.00 H new ATOM 551 N VAL A 955 -1.191 12.367 3.775 1.00 0.00 N ATOM 552 CA VAL A 955 -0.292 11.285 3.417 1.00 0.00 C ATOM 553 C VAL A 955 -0.093 10.326 4.585 1.00 0.00 C ATOM 554 O VAL A 955 0.182 9.147 4.390 1.00 0.00 O ATOM 555 CB VAL A 955 1.062 11.800 2.891 1.00 0.00 C ATOM 556 CG1 VAL A 955 2.014 10.648 2.624 1.00 0.00 C ATOM 557 CG2 VAL A 955 0.857 12.617 1.624 1.00 0.00 C ATOM 0 H VAL A 955 -0.774 13.298 3.758 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.765 10.738 2.602 1.00 0.00 H new ATOM 0 HB VAL A 955 1.505 12.438 3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 955 2.962 11.038 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 955 2.185 10.096 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 955 1.579 9.982 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 955 1.821 12.975 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.392 11.994 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.212 13.468 1.840 1.00 0.00 H new ATOM 567 N LYS A 956 -0.250 10.811 5.803 1.00 0.00 N ATOM 568 CA LYS A 956 -0.116 9.931 6.952 1.00 0.00 C ATOM 569 C LYS A 956 -1.232 8.892 6.916 1.00 0.00 C ATOM 570 O LYS A 956 -1.091 7.792 7.451 1.00 0.00 O ATOM 571 CB LYS A 956 -0.151 10.706 8.269 1.00 0.00 C ATOM 572 CG LYS A 956 0.338 9.889 9.458 1.00 0.00 C ATOM 573 CD LYS A 956 1.752 9.378 9.225 1.00 0.00 C ATOM 574 CE LYS A 956 2.202 8.413 10.313 1.00 0.00 C ATOM 575 NZ LYS A 956 2.267 9.057 11.651 1.00 0.00 N ATOM 0 H LYS A 956 -0.465 11.784 6.021 1.00 0.00 H new ATOM 0 HA LYS A 956 0.854 9.437 6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.464 11.601 8.173 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.171 11.039 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 956 0.313 10.501 10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -0.334 9.047 9.626 1.00 0.00 H new ATOM 0 HD2 LYS A 956 1.801 8.880 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 956 2.440 10.223 9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 956 1.514 7.568 10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 956 3.183 8.013 10.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 2.611 8.369 12.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 2.917 9.868 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 1.319 9.385 11.925 1.00 0.00 H new ATOM 589 N GLU A 957 -2.348 9.267 6.296 1.00 0.00 N ATOM 590 CA GLU A 957 -3.427 8.323 6.037 1.00 0.00 C ATOM 591 C GLU A 957 -2.923 7.164 5.175 1.00 0.00 C ATOM 592 O GLU A 957 -3.171 6.002 5.497 1.00 0.00 O ATOM 593 CB GLU A 957 -4.624 9.011 5.362 1.00 0.00 C ATOM 594 CG GLU A 957 -5.164 10.199 6.141 1.00 0.00 C ATOM 595 CD GLU A 957 -5.505 9.860 7.578 1.00 0.00 C ATOM 596 OE1 GLU A 957 -6.634 9.405 7.839 1.00 0.00 O ATOM 597 OE2 GLU A 957 -4.651 10.066 8.457 1.00 0.00 O ATOM 0 H GLU A 957 -2.527 10.215 5.965 1.00 0.00 H new ATOM 0 HA GLU A 957 -3.765 7.930 6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.327 9.344 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.423 8.282 5.228 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.426 11.001 6.128 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -6.055 10.579 5.642 1.00 0.00 H new ATOM 604 N VAL A 958 -2.185 7.467 4.098 1.00 0.00 N ATOM 605 CA VAL A 958 -1.592 6.401 3.276 1.00 0.00 C ATOM 606 C VAL A 958 -0.422 5.724 4.003 1.00 0.00 C ATOM 607 O VAL A 958 -0.081 4.576 3.715 1.00 0.00 O ATOM 608 CB VAL A 958 -1.116 6.895 1.885 1.00 0.00 C ATOM 609 CG1 VAL A 958 -2.135 7.836 1.279 1.00 0.00 C ATOM 610 CG2 VAL A 958 0.250 7.556 1.954 1.00 0.00 C ATOM 0 H VAL A 958 -1.987 8.416 3.781 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.392 5.678 3.113 1.00 0.00 H new ATOM 0 HB VAL A 958 -1.020 6.020 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.784 8.173 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.086 7.317 1.163 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.269 8.697 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 958 0.545 7.887 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 958 0.205 8.415 2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 958 0.982 6.841 2.330 1.00 0.00 H new ATOM 620 N GLY A 959 0.196 6.434 4.942 1.00 0.00 N ATOM 621 CA GLY A 959 1.263 5.838 5.727 1.00 0.00 C ATOM 622 C GLY A 959 0.720 4.807 6.692 1.00 0.00 C ATOM 623 O GLY A 959 1.282 3.718 6.844 1.00 0.00 O ATOM 0 H GLY A 959 -0.020 7.404 5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 959 1.990 5.371 5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.790 6.616 6.280 1.00 0.00 H new ATOM 627 N LEU A 960 -0.385 5.160 7.339 1.00 0.00 N ATOM 628 CA LEU A 960 -1.150 4.213 8.142 1.00 0.00 C ATOM 629 C LEU A 960 -1.592 3.032 7.286 1.00 0.00 C ATOM 630 O LEU A 960 -1.687 1.905 7.769 1.00 0.00 O ATOM 631 CB LEU A 960 -2.378 4.900 8.748 1.00 0.00 C ATOM 632 CG LEU A 960 -3.311 3.987 9.548 1.00 0.00 C ATOM 633 CD1 LEU A 960 -2.615 3.461 10.796 1.00 0.00 C ATOM 634 CD2 LEU A 960 -4.587 4.724 9.911 1.00 0.00 C ATOM 0 H LEU A 960 -0.774 6.103 7.322 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.512 3.850 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -2.039 5.705 9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -2.950 5.361 7.943 1.00 0.00 H new ATOM 0 HG LEU A 960 -3.573 3.132 8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -3.297 2.815 11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -1.731 2.893 10.507 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -2.318 4.298 11.427 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -5.240 4.062 10.479 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -4.343 5.599 10.514 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -5.095 5.041 9.001 1.00 0.00 H new ATOM 646 N ALA A 961 -1.857 3.312 6.018 1.00 0.00 N ATOM 647 CA ALA A 961 -2.287 2.290 5.074 1.00 0.00 C ATOM 648 C ALA A 961 -1.255 1.177 4.955 1.00 0.00 C ATOM 649 O ALA A 961 -1.573 0.012 5.186 1.00 0.00 O ATOM 650 CB ALA A 961 -2.552 2.896 3.714 1.00 0.00 C ATOM 0 H ALA A 961 -1.781 4.247 5.617 1.00 0.00 H new ATOM 0 HA ALA A 961 -3.213 1.859 5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -2.872 2.115 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.335 3.650 3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -1.640 3.360 3.339 1.00 0.00 H new ATOM 656 N LEU A 962 -0.016 1.529 4.609 1.00 0.00 N ATOM 657 CA LEU A 962 1.031 0.532 4.475 1.00 0.00 C ATOM 658 C LEU A 962 1.459 -0.020 5.839 1.00 0.00 C ATOM 659 O LEU A 962 1.856 -1.175 5.936 1.00 0.00 O ATOM 660 CB LEU A 962 2.220 1.098 3.687 1.00 0.00 C ATOM 661 CG LEU A 962 3.404 0.145 3.510 1.00 0.00 C ATOM 662 CD1 LEU A 962 3.997 0.298 2.124 1.00 0.00 C ATOM 663 CD2 LEU A 962 4.471 0.405 4.565 1.00 0.00 C ATOM 0 H LEU A 962 0.279 2.487 4.420 1.00 0.00 H new ATOM 0 HA LEU A 962 0.629 -0.308 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 962 1.869 1.401 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.572 1.998 4.191 1.00 0.00 H new ATOM 0 HG LEU A 962 3.041 -0.876 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 962 4.839 -0.385 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 962 3.239 0.067 1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 962 4.341 1.323 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 962 5.303 -0.284 4.419 1.00 0.00 H new ATOM 0 HD22 LEU A 962 4.830 1.430 4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 962 4.046 0.255 5.557 1.00 0.00 H new ATOM 675 N ARG A 963 1.396 0.790 6.891 1.00 0.00 N ATOM 676 CA ARG A 963 1.620 0.287 8.250 1.00 0.00 C ATOM 677 C ARG A 963 0.630 -0.832 8.596 1.00 0.00 C ATOM 678 O ARG A 963 1.025 -1.931 8.987 1.00 0.00 O ATOM 679 CB ARG A 963 1.490 1.434 9.254 1.00 0.00 C ATOM 680 CG ARG A 963 1.849 1.057 10.681 1.00 0.00 C ATOM 681 CD ARG A 963 1.785 2.266 11.600 1.00 0.00 C ATOM 682 NE ARG A 963 2.224 1.953 12.958 1.00 0.00 N ATOM 683 CZ ARG A 963 2.460 2.871 13.894 1.00 0.00 C ATOM 684 NH1 ARG A 963 2.263 4.156 13.632 1.00 0.00 N ATOM 685 NH2 ARG A 963 2.871 2.500 15.099 1.00 0.00 N ATOM 0 H ARG A 963 1.194 1.788 6.835 1.00 0.00 H new ATOM 0 HA ARG A 963 2.627 -0.127 8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 963 2.131 2.255 8.935 1.00 0.00 H new ATOM 0 HB3 ARG A 963 0.465 1.804 9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 963 1.166 0.287 11.040 1.00 0.00 H new ATOM 0 HG3 ARG A 963 2.852 0.630 10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 963 2.408 3.062 11.193 1.00 0.00 H new ATOM 0 HD3 ARG A 963 0.763 2.644 11.629 1.00 0.00 H new ATOM 0 HE ARG A 963 2.358 0.972 13.204 1.00 0.00 H new ATOM 0 HH11 ARG A 963 1.930 4.444 12.712 1.00 0.00 H new ATOM 0 HH12 ARG A 963 2.445 4.857 14.351 1.00 0.00 H new ATOM 0 HH21 ARG A 963 3.007 1.511 15.310 1.00 0.00 H new ATOM 0 HH22 ARG A 963 3.052 3.203 15.815 1.00 0.00 H new ATOM 699 N THR A 964 -0.654 -0.538 8.468 1.00 0.00 N ATOM 700 CA THR A 964 -1.689 -1.549 8.651 1.00 0.00 C ATOM 701 C THR A 964 -1.487 -2.703 7.663 1.00 0.00 C ATOM 702 O THR A 964 -1.759 -3.865 7.966 1.00 0.00 O ATOM 703 CB THR A 964 -3.094 -0.939 8.476 1.00 0.00 C ATOM 704 OG1 THR A 964 -3.204 0.243 9.280 1.00 0.00 O ATOM 705 CG2 THR A 964 -4.177 -1.929 8.882 1.00 0.00 C ATOM 0 H THR A 964 -1.007 0.391 8.238 1.00 0.00 H new ATOM 0 HA THR A 964 -1.609 -1.935 9.667 1.00 0.00 H new ATOM 0 HB THR A 964 -3.232 -0.691 7.424 1.00 0.00 H new ATOM 0 HG1 THR A 964 -2.694 0.970 8.865 1.00 0.00 H new ATOM 0 HG21 THR A 964 -5.157 -1.471 8.748 1.00 0.00 H new ATOM 0 HG22 THR A 964 -4.105 -2.822 8.261 1.00 0.00 H new ATOM 0 HG23 THR A 964 -4.045 -2.204 9.928 1.00 0.00 H new ATOM 713 N LEU A 965 -0.980 -2.365 6.486 1.00 0.00 N ATOM 714 CA LEU A 965 -0.618 -3.355 5.480 1.00 0.00 C ATOM 715 C LEU A 965 0.510 -4.250 5.998 1.00 0.00 C ATOM 716 O LEU A 965 0.559 -5.441 5.703 1.00 0.00 O ATOM 717 CB LEU A 965 -0.226 -2.625 4.179 1.00 0.00 C ATOM 718 CG LEU A 965 0.284 -3.484 3.018 1.00 0.00 C ATOM 719 CD1 LEU A 965 1.780 -3.729 3.145 1.00 0.00 C ATOM 720 CD2 LEU A 965 -0.476 -4.799 2.952 1.00 0.00 C ATOM 0 H LEU A 965 -0.808 -1.401 6.202 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.467 -4.004 5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -1.095 -2.068 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 965 0.545 -1.894 4.422 1.00 0.00 H new ATOM 0 HG LEU A 965 0.109 -2.942 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 965 2.121 -4.341 2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 965 2.307 -2.775 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 965 1.986 -4.247 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.100 -5.395 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.337 -5.347 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -1.537 -4.599 2.804 1.00 0.00 H new ATOM 732 N LEU A 966 1.394 -3.671 6.787 1.00 0.00 N ATOM 733 CA LEU A 966 2.501 -4.416 7.375 1.00 0.00 C ATOM 734 C LEU A 966 1.971 -5.516 8.300 1.00 0.00 C ATOM 735 O LEU A 966 2.635 -6.534 8.514 1.00 0.00 O ATOM 736 CB LEU A 966 3.444 -3.475 8.132 1.00 0.00 C ATOM 737 CG LEU A 966 4.737 -4.108 8.646 1.00 0.00 C ATOM 738 CD1 LEU A 966 5.558 -4.663 7.492 1.00 0.00 C ATOM 739 CD2 LEU A 966 5.547 -3.088 9.432 1.00 0.00 C ATOM 0 H LEU A 966 1.371 -2.683 7.039 1.00 0.00 H new ATOM 0 HA LEU A 966 3.067 -4.887 6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 966 3.703 -2.644 7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 966 2.904 -3.054 8.980 1.00 0.00 H new ATOM 0 HG LEU A 966 4.477 -4.933 9.309 1.00 0.00 H new ATOM 0 HD11 LEU A 966 6.474 -5.109 7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 966 4.979 -5.422 6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 966 5.810 -3.856 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 966 6.465 -3.552 9.792 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.795 -2.245 8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 966 4.962 -2.735 10.281 1.00 0.00 H new ATOM 751 N ALA A 967 0.770 -5.313 8.837 1.00 0.00 N ATOM 752 CA ALA A 967 0.079 -6.365 9.582 1.00 0.00 C ATOM 753 C ALA A 967 -0.307 -7.507 8.642 1.00 0.00 C ATOM 754 O ALA A 967 -0.126 -8.681 8.959 1.00 0.00 O ATOM 755 CB ALA A 967 -1.149 -5.808 10.287 1.00 0.00 C ATOM 0 H ALA A 967 0.256 -4.434 8.771 1.00 0.00 H new ATOM 0 HA ALA A 967 0.755 -6.755 10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.648 -6.607 10.835 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -0.846 -5.026 10.983 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.835 -5.391 9.549 1.00 0.00 H new ATOM 761 N THR A 968 -0.809 -7.143 7.468 1.00 0.00 N ATOM 762 CA THR A 968 -1.099 -8.115 6.417 1.00 0.00 C ATOM 763 C THR A 968 0.185 -8.823 5.980 1.00 0.00 C ATOM 764 O THR A 968 0.184 -10.020 5.684 1.00 0.00 O ATOM 765 CB THR A 968 -1.768 -7.433 5.205 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.125 -7.116 5.520 1.00 0.00 O ATOM 767 CG2 THR A 968 -1.719 -8.309 3.961 1.00 0.00 C ATOM 0 H THR A 968 -1.025 -6.178 7.218 1.00 0.00 H new ATOM 0 HA THR A 968 -1.792 -8.854 6.820 1.00 0.00 H new ATOM 0 HB THR A 968 -1.213 -6.520 4.989 1.00 0.00 H new ATOM 0 HG1 THR A 968 -3.154 -6.294 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.201 -7.791 3.132 1.00 0.00 H new ATOM 0 HG22 THR A 968 -0.681 -8.518 3.704 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.241 -9.246 4.155 1.00 0.00 H new ATOM 775 N VAL A 969 1.274 -8.069 5.939 1.00 0.00 N ATOM 776 CA VAL A 969 2.591 -8.627 5.657 1.00 0.00 C ATOM 777 C VAL A 969 2.959 -9.712 6.672 1.00 0.00 C ATOM 778 O VAL A 969 3.654 -10.656 6.340 1.00 0.00 O ATOM 779 CB VAL A 969 3.680 -7.530 5.637 1.00 0.00 C ATOM 780 CG1 VAL A 969 5.060 -8.124 5.382 1.00 0.00 C ATOM 781 CG2 VAL A 969 3.351 -6.488 4.582 1.00 0.00 C ATOM 0 H VAL A 969 1.272 -7.062 6.099 1.00 0.00 H new ATOM 0 HA VAL A 969 2.542 -9.078 4.666 1.00 0.00 H new ATOM 0 HB VAL A 969 3.698 -7.053 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.803 -7.327 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 969 5.301 -8.837 6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 969 5.064 -8.634 4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 969 4.124 -5.720 4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 969 3.305 -6.964 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 969 2.388 -6.032 4.809 1.00 0.00 H new ATOM 791 N ASP A 970 2.479 -9.582 7.902 1.00 0.00 N ATOM 792 CA ASP A 970 2.742 -10.583 8.943 1.00 0.00 C ATOM 793 C ASP A 970 1.872 -11.813 8.742 1.00 0.00 C ATOM 794 O ASP A 970 2.204 -12.902 9.192 1.00 0.00 O ATOM 795 CB ASP A 970 2.513 -9.974 10.332 1.00 0.00 C ATOM 796 CG ASP A 970 2.705 -10.964 11.465 1.00 0.00 C ATOM 797 OD1 ASP A 970 3.862 -11.176 11.887 1.00 0.00 O ATOM 798 OD2 ASP A 970 1.693 -11.510 11.962 1.00 0.00 O ATOM 0 H ASP A 970 1.906 -8.796 8.209 1.00 0.00 H new ATOM 0 HA ASP A 970 3.784 -10.895 8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 970 3.198 -9.138 10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.502 -9.570 10.381 1.00 0.00 H new ATOM 803 N GLU A 971 0.765 -11.632 8.063 1.00 0.00 N ATOM 804 CA GLU A 971 -0.037 -12.756 7.614 1.00 0.00 C ATOM 805 C GLU A 971 0.711 -13.481 6.501 1.00 0.00 C ATOM 806 O GLU A 971 0.982 -14.687 6.561 1.00 0.00 O ATOM 807 CB GLU A 971 -1.387 -12.261 7.104 1.00 0.00 C ATOM 808 CG GLU A 971 -2.167 -11.477 8.140 1.00 0.00 C ATOM 809 CD GLU A 971 -2.617 -12.348 9.289 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.232 -13.405 9.028 1.00 0.00 O ATOM 811 OE2 GLU A 971 -2.346 -11.991 10.453 1.00 0.00 O ATOM 0 H GLU A 971 0.394 -10.717 7.806 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.211 -13.441 8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.229 -11.634 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -1.982 -13.116 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.548 -10.665 8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -3.037 -11.020 7.669 1.00 0.00 H new ATOM 818 N SER A 972 1.081 -12.702 5.506 1.00 0.00 N ATOM 819 CA SER A 972 1.773 -13.199 4.339 1.00 0.00 C ATOM 820 C SER A 972 3.181 -13.702 4.673 1.00 0.00 C ATOM 821 O SER A 972 3.720 -14.527 3.949 1.00 0.00 O ATOM 822 CB SER A 972 1.813 -12.105 3.278 1.00 0.00 C ATOM 823 OG SER A 972 2.538 -12.512 2.138 1.00 0.00 O ATOM 0 H SER A 972 0.907 -11.697 5.486 1.00 0.00 H new ATOM 0 HA SER A 972 1.226 -14.059 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.796 -11.842 2.988 1.00 0.00 H new ATOM 0 HB3 SER A 972 2.267 -11.207 3.697 1.00 0.00 H new ATOM 0 HG SER A 972 3.441 -12.134 2.173 1.00 0.00 H new ATOM 829 N LEU A 973 3.783 -13.179 5.738 1.00 0.00 N ATOM 830 CA LEU A 973 5.156 -13.538 6.110 1.00 0.00 C ATOM 831 C LEU A 973 5.295 -15.024 6.455 1.00 0.00 C ATOM 832 O LEU A 973 6.162 -15.677 5.903 1.00 0.00 O ATOM 833 CB LEU A 973 5.655 -12.665 7.270 1.00 0.00 C ATOM 834 CG LEU A 973 7.106 -12.903 7.697 1.00 0.00 C ATOM 835 CD1 LEU A 973 8.062 -12.573 6.561 1.00 0.00 C ATOM 836 CD2 LEU A 973 7.437 -12.081 8.932 1.00 0.00 C ATOM 0 H LEU A 973 3.343 -12.503 6.363 1.00 0.00 H new ATOM 0 HA LEU A 973 5.781 -13.350 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 973 5.545 -11.618 6.987 1.00 0.00 H new ATOM 0 HB3 LEU A 973 5.009 -12.832 8.132 1.00 0.00 H new ATOM 0 HG LEU A 973 7.223 -13.958 7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 973 9.088 -12.749 6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 973 7.839 -13.207 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 973 7.945 -11.526 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 973 8.472 -12.262 9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 973 7.301 -11.022 8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 973 6.775 -12.369 9.749 1.00 0.00 H new ATOM 848 N PRO A 974 4.490 -15.602 7.374 1.00 0.00 N ATOM 849 CA PRO A 974 4.459 -17.062 7.537 1.00 0.00 C ATOM 850 C PRO A 974 4.154 -17.761 6.215 1.00 0.00 C ATOM 851 O PRO A 974 4.655 -18.861 5.933 1.00 0.00 O ATOM 852 CB PRO A 974 3.333 -17.286 8.541 1.00 0.00 C ATOM 853 CG PRO A 974 3.295 -16.027 9.325 1.00 0.00 C ATOM 854 CD PRO A 974 3.647 -14.935 8.355 1.00 0.00 C ATOM 0 HA PRO A 974 5.415 -17.467 7.869 1.00 0.00 H new ATOM 0 HB2 PRO A 974 2.383 -17.473 8.040 1.00 0.00 H new ATOM 0 HB3 PRO A 974 3.532 -18.147 9.179 1.00 0.00 H new ATOM 0 HG2 PRO A 974 2.308 -15.864 9.757 1.00 0.00 H new ATOM 0 HG3 PRO A 974 4.004 -16.059 10.153 1.00 0.00 H new ATOM 0 HD2 PRO A 974 2.757 -14.508 7.893 1.00 0.00 H new ATOM 0 HD3 PRO A 974 4.175 -14.118 8.847 1.00 0.00 H new ATOM 862 N VAL A 975 3.360 -17.107 5.376 1.00 0.00 N ATOM 863 CA VAL A 975 3.062 -17.676 4.065 1.00 0.00 C ATOM 864 C VAL A 975 4.247 -17.473 3.105 1.00 0.00 C ATOM 865 O VAL A 975 4.287 -18.052 2.019 1.00 0.00 O ATOM 866 CB VAL A 975 1.763 -17.102 3.451 1.00 0.00 C ATOM 867 CG1 VAL A 975 1.250 -18.021 2.352 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.695 -16.921 4.517 1.00 0.00 C ATOM 0 H VAL A 975 2.921 -16.207 5.570 1.00 0.00 H new ATOM 0 HA VAL A 975 2.901 -18.744 4.212 1.00 0.00 H new ATOM 0 HB VAL A 975 1.991 -16.126 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 975 0.336 -17.606 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.005 -18.110 1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 975 1.042 -19.006 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -0.209 -16.516 4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.471 -17.885 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 975 1.056 -16.232 5.281 1.00 0.00 H new ATOM 878 N LEU A 976 5.218 -16.658 3.520 1.00 0.00 N ATOM 879 CA LEU A 976 6.438 -16.423 2.746 1.00 0.00 C ATOM 880 C LEU A 976 7.282 -17.699 2.641 1.00 0.00 C ATOM 881 O LEU A 976 7.617 -18.101 1.526 1.00 0.00 O ATOM 882 CB LEU A 976 7.230 -15.220 3.323 1.00 0.00 C ATOM 883 CG LEU A 976 8.693 -15.037 2.878 1.00 0.00 C ATOM 884 CD1 LEU A 976 9.109 -13.582 3.028 1.00 0.00 C ATOM 885 CD2 LEU A 976 9.644 -15.904 3.691 1.00 0.00 C ATOM 0 H LEU A 976 5.181 -16.143 4.400 1.00 0.00 H new ATOM 0 HA LEU A 976 6.159 -16.157 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 976 6.687 -14.310 3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 976 7.220 -15.304 4.410 1.00 0.00 H new ATOM 0 HG LEU A 976 8.752 -15.341 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 976 10.145 -13.465 2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 976 8.467 -12.954 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 976 9.013 -13.282 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 976 10.666 -15.746 3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 976 9.571 -15.635 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 976 9.377 -16.953 3.565 1.00 0.00 H new ATOM 897 N PRO A 977 7.632 -18.377 3.768 1.00 0.00 N ATOM 898 CA PRO A 977 8.324 -19.665 3.698 1.00 0.00 C ATOM 899 C PRO A 977 7.470 -20.698 2.992 1.00 0.00 C ATOM 900 O PRO A 977 7.983 -21.575 2.294 1.00 0.00 O ATOM 901 CB PRO A 977 8.541 -20.064 5.161 1.00 0.00 C ATOM 902 CG PRO A 977 8.402 -18.801 5.929 1.00 0.00 C ATOM 903 CD PRO A 977 7.429 -17.960 5.161 1.00 0.00 C ATOM 0 HA PRO A 977 9.257 -19.600 3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 977 7.807 -20.803 5.481 1.00 0.00 H new ATOM 0 HB3 PRO A 977 9.526 -20.508 5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 977 8.039 -18.995 6.938 1.00 0.00 H new ATOM 0 HG3 PRO A 977 9.363 -18.296 6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.404 -18.136 5.486 1.00 0.00 H new ATOM 0 HD3 PRO A 977 7.627 -16.896 5.294 1.00 0.00 H new ATOM 911 N ALA A 978 6.156 -20.583 3.179 1.00 0.00 N ATOM 912 CA ALA A 978 5.216 -21.452 2.492 1.00 0.00 C ATOM 913 C ALA A 978 5.399 -21.365 0.979 1.00 0.00 C ATOM 914 O ALA A 978 5.644 -22.377 0.325 1.00 0.00 O ATOM 915 CB ALA A 978 3.786 -21.106 2.881 1.00 0.00 C ATOM 0 H ALA A 978 5.724 -19.898 3.799 1.00 0.00 H new ATOM 0 HA ALA A 978 5.417 -22.479 2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 978 3.096 -21.767 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 978 3.661 -21.231 3.957 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.575 -20.072 2.609 1.00 0.00 H new ATOM 921 N SER A 979 5.308 -20.148 0.432 1.00 0.00 N ATOM 922 CA SER A 979 5.413 -19.935 -1.016 1.00 0.00 C ATOM 923 C SER A 979 5.506 -18.441 -1.381 1.00 0.00 C ATOM 924 O SER A 979 6.081 -18.075 -2.406 1.00 0.00 O ATOM 925 CB SER A 979 4.197 -20.555 -1.719 1.00 0.00 C ATOM 926 OG SER A 979 4.327 -21.962 -1.851 1.00 0.00 O ATOM 0 H SER A 979 5.162 -19.294 0.971 1.00 0.00 H new ATOM 0 HA SER A 979 6.332 -20.416 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.294 -20.325 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 979 4.079 -20.106 -2.705 1.00 0.00 H new ATOM 0 HG SER A 979 5.077 -22.274 -1.302 1.00 0.00 H new ATOM 932 N THR A 980 4.949 -17.590 -0.529 1.00 0.00 N ATOM 933 CA THR A 980 4.775 -16.162 -0.825 1.00 0.00 C ATOM 934 C THR A 980 6.077 -15.387 -1.024 1.00 0.00 C ATOM 935 O THR A 980 6.059 -14.325 -1.650 1.00 0.00 O ATOM 936 CB THR A 980 3.972 -15.466 0.281 1.00 0.00 C ATOM 937 OG1 THR A 980 2.742 -16.159 0.484 1.00 0.00 O ATOM 938 CG2 THR A 980 3.685 -14.021 -0.087 1.00 0.00 C ATOM 0 H THR A 980 4.602 -17.865 0.390 1.00 0.00 H new ATOM 0 HA THR A 980 4.240 -16.148 -1.774 1.00 0.00 H new ATOM 0 HB THR A 980 4.561 -15.479 1.198 1.00 0.00 H new ATOM 0 HG1 THR A 980 2.188 -15.662 1.122 1.00 0.00 H new ATOM 0 HG21 THR A 980 3.115 -13.548 0.713 1.00 0.00 H new ATOM 0 HG22 THR A 980 4.625 -13.487 -0.226 1.00 0.00 H new ATOM 0 HG23 THR A 980 3.109 -13.989 -1.012 1.00 0.00 H new ATOM 946 N HIS A 981 7.197 -15.902 -0.517 1.00 0.00 N ATOM 947 CA HIS A 981 8.456 -15.141 -0.505 1.00 0.00 C ATOM 948 C HIS A 981 8.800 -14.560 -1.879 1.00 0.00 C ATOM 949 O HIS A 981 9.526 -13.583 -1.966 1.00 0.00 O ATOM 950 CB HIS A 981 9.631 -16.000 0.012 1.00 0.00 C ATOM 951 CG HIS A 981 10.422 -16.728 -1.039 1.00 0.00 C ATOM 952 ND1 HIS A 981 11.500 -16.163 -1.689 1.00 0.00 N ATOM 953 CD2 HIS A 981 10.300 -17.980 -1.536 1.00 0.00 C ATOM 954 CE1 HIS A 981 12.006 -17.037 -2.538 1.00 0.00 C ATOM 955 NE2 HIS A 981 11.298 -18.148 -2.466 1.00 0.00 N ATOM 0 H HIS A 981 7.263 -16.835 -0.111 1.00 0.00 H new ATOM 0 HA HIS A 981 8.300 -14.308 0.180 1.00 0.00 H new ATOM 0 HB2 HIS A 981 10.310 -15.355 0.569 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.238 -16.733 0.717 1.00 0.00 H new ATOM 0 HD1 HIS A 981 11.851 -15.217 -1.537 1.00 0.00 H new ATOM 0 HD2 HIS A 981 9.557 -18.711 -1.255 1.00 0.00 H new ATOM 0 HE1 HIS A 981 12.856 -16.871 -3.183 1.00 0.00 H new ATOM 964 N ARG A 982 8.254 -15.128 -2.944 1.00 0.00 N ATOM 965 CA ARG A 982 8.556 -14.617 -4.274 1.00 0.00 C ATOM 966 C ARG A 982 7.927 -13.231 -4.474 1.00 0.00 C ATOM 967 O ARG A 982 8.627 -12.264 -4.775 1.00 0.00 O ATOM 968 CB ARG A 982 8.050 -15.573 -5.355 1.00 0.00 C ATOM 969 CG ARG A 982 8.589 -15.248 -6.741 1.00 0.00 C ATOM 970 CD ARG A 982 7.896 -16.065 -7.817 1.00 0.00 C ATOM 971 NE ARG A 982 6.513 -15.637 -8.022 1.00 0.00 N ATOM 972 CZ ARG A 982 5.574 -16.384 -8.600 1.00 0.00 C ATOM 973 NH1 ARG A 982 5.826 -17.644 -8.939 1.00 0.00 N ATOM 974 NH2 ARG A 982 4.363 -15.879 -8.796 1.00 0.00 N ATOM 0 H ARG A 982 7.615 -15.923 -2.918 1.00 0.00 H new ATOM 0 HA ARG A 982 9.639 -14.533 -4.361 1.00 0.00 H new ATOM 0 HB2 ARG A 982 8.333 -16.592 -5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 982 6.961 -15.541 -5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 982 8.452 -14.186 -6.945 1.00 0.00 H new ATOM 0 HG3 ARG A 982 9.661 -15.443 -6.770 1.00 0.00 H new ATOM 0 HD2 ARG A 982 8.447 -15.973 -8.753 1.00 0.00 H new ATOM 0 HD3 ARG A 982 7.912 -17.119 -7.539 1.00 0.00 H new ATOM 0 HE ARG A 982 6.250 -14.705 -7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 982 6.745 -18.047 -8.757 1.00 0.00 H new ATOM 0 HH12 ARG A 982 5.100 -18.208 -9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 982 4.155 -14.924 -8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 982 3.639 -16.446 -9.238 1.00 0.00 H new ATOM 988 N GLU A 983 6.614 -13.125 -4.255 1.00 0.00 N ATOM 989 CA GLU A 983 5.927 -11.842 -4.413 1.00 0.00 C ATOM 990 C GLU A 983 6.136 -10.906 -3.251 1.00 0.00 C ATOM 991 O GLU A 983 6.315 -9.703 -3.446 1.00 0.00 O ATOM 992 CB GLU A 983 4.432 -11.995 -4.616 1.00 0.00 C ATOM 993 CG GLU A 983 4.029 -11.897 -6.060 1.00 0.00 C ATOM 994 CD GLU A 983 4.401 -13.138 -6.853 1.00 0.00 C ATOM 995 OE1 GLU A 983 5.528 -13.203 -7.382 1.00 0.00 O ATOM 996 OE2 GLU A 983 3.574 -14.071 -6.935 1.00 0.00 O ATOM 0 H GLU A 983 6.013 -13.899 -3.972 1.00 0.00 H new ATOM 0 HA GLU A 983 6.380 -11.415 -5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.112 -12.958 -4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 983 3.912 -11.226 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 983 2.952 -11.738 -6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 983 4.507 -11.026 -6.509 1.00 0.00 H new ATOM 1003 N ILE A 984 6.060 -11.426 -2.041 1.00 0.00 N ATOM 1004 CA ILE A 984 6.143 -10.568 -0.878 1.00 0.00 C ATOM 1005 C ILE A 984 7.482 -9.840 -0.877 1.00 0.00 C ATOM 1006 O ILE A 984 7.583 -8.719 -0.404 1.00 0.00 O ATOM 1007 CB ILE A 984 5.915 -11.348 0.440 1.00 0.00 C ATOM 1008 CG1 ILE A 984 5.807 -10.389 1.631 1.00 0.00 C ATOM 1009 CG2 ILE A 984 7.030 -12.347 0.673 1.00 0.00 C ATOM 1010 CD1 ILE A 984 4.613 -9.460 1.558 1.00 0.00 C ATOM 0 H ILE A 984 5.943 -12.419 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 984 5.341 -9.832 -0.936 1.00 0.00 H new ATOM 0 HB ILE A 984 4.975 -11.892 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 984 5.748 -10.971 2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 984 6.717 -9.792 1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.849 -12.883 1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.062 -13.056 -0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.983 -11.821 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 984 4.603 -8.811 2.434 1.00 0.00 H new ATOM 0 HD12 ILE A 984 4.680 -8.851 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 984 3.696 -10.048 1.531 1.00 0.00 H new ATOM 1022 N GLU A 985 8.501 -10.465 -1.458 1.00 0.00 N ATOM 1023 CA GLU A 985 9.774 -9.794 -1.656 1.00 0.00 C ATOM 1024 C GLU A 985 9.697 -8.774 -2.793 1.00 0.00 C ATOM 1025 O GLU A 985 10.307 -7.710 -2.702 1.00 0.00 O ATOM 1026 CB GLU A 985 10.899 -10.792 -1.920 1.00 0.00 C ATOM 1027 CG GLU A 985 11.303 -11.592 -0.692 1.00 0.00 C ATOM 1028 CD GLU A 985 12.513 -12.462 -0.946 1.00 0.00 C ATOM 1029 OE1 GLU A 985 12.345 -13.621 -1.387 1.00 0.00 O ATOM 1030 OE2 GLU A 985 13.643 -11.987 -0.713 1.00 0.00 O ATOM 0 H GLU A 985 8.468 -11.427 -1.796 1.00 0.00 H new ATOM 0 HA GLU A 985 9.999 -9.262 -0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 985 10.586 -11.480 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 985 11.770 -10.254 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 985 11.516 -10.909 0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 985 10.468 -12.218 -0.378 1.00 0.00 H new ATOM 1037 N MET A 986 8.944 -9.078 -3.860 1.00 0.00 N ATOM 1038 CA MET A 986 8.909 -8.182 -5.013 1.00 0.00 C ATOM 1039 C MET A 986 8.192 -6.870 -4.668 1.00 0.00 C ATOM 1040 O MET A 986 8.748 -5.781 -4.831 1.00 0.00 O ATOM 1041 CB MET A 986 8.301 -8.855 -6.265 1.00 0.00 C ATOM 1042 CG MET A 986 6.786 -8.977 -6.285 1.00 0.00 C ATOM 1043 SD MET A 986 6.160 -9.671 -7.831 1.00 0.00 S ATOM 1044 CE MET A 986 6.805 -8.495 -9.020 1.00 0.00 C ATOM 0 H MET A 986 8.367 -9.915 -3.945 1.00 0.00 H new ATOM 0 HA MET A 986 9.942 -7.943 -5.265 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.612 -8.291 -7.144 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.728 -9.854 -6.360 1.00 0.00 H new ATOM 0 HG2 MET A 986 6.466 -9.605 -5.454 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.345 -7.993 -6.129 1.00 0.00 H new ATOM 0 HE1 MET A 986 6.024 -8.235 -9.735 1.00 0.00 H new ATOM 0 HE2 MET A 986 7.135 -7.596 -8.500 1.00 0.00 H new ATOM 0 HE3 MET A 986 7.649 -8.938 -9.549 1.00 0.00 H new ATOM 1054 N ALA A 987 6.984 -6.977 -4.135 1.00 0.00 N ATOM 1055 CA ALA A 987 6.178 -5.807 -3.860 1.00 0.00 C ATOM 1056 C ALA A 987 6.615 -5.095 -2.598 1.00 0.00 C ATOM 1057 O ALA A 987 6.744 -3.889 -2.607 1.00 0.00 O ATOM 1058 CB ALA A 987 4.712 -6.169 -3.773 1.00 0.00 C ATOM 0 H ALA A 987 6.545 -7.863 -3.886 1.00 0.00 H new ATOM 0 HA ALA A 987 6.325 -5.121 -4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 987 4.128 -5.273 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.388 -6.603 -4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.563 -6.893 -2.972 1.00 0.00 H new ATOM 1064 N GLN A 988 6.845 -5.828 -1.512 1.00 0.00 N ATOM 1065 CA GLN A 988 7.167 -5.188 -0.233 1.00 0.00 C ATOM 1066 C GLN A 988 8.447 -4.359 -0.334 1.00 0.00 C ATOM 1067 O GLN A 988 8.546 -3.279 0.256 1.00 0.00 O ATOM 1068 CB GLN A 988 7.285 -6.215 0.898 1.00 0.00 C ATOM 1069 CG GLN A 988 7.728 -5.635 2.237 1.00 0.00 C ATOM 1070 CD GLN A 988 6.749 -4.626 2.813 1.00 0.00 C ATOM 1071 OE1 GLN A 988 5.834 -4.982 3.543 1.00 0.00 O ATOM 1072 NE2 GLN A 988 6.940 -3.354 2.493 1.00 0.00 N ATOM 0 H GLN A 988 6.816 -6.847 -1.487 1.00 0.00 H new ATOM 0 HA GLN A 988 6.341 -4.517 0.005 1.00 0.00 H new ATOM 0 HB2 GLN A 988 6.320 -6.704 1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 988 7.994 -6.986 0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 988 7.861 -6.448 2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 988 8.700 -5.157 2.113 1.00 0.00 H new ATOM 0 HE21 GLN A 988 7.713 -3.093 1.882 1.00 0.00 H new ATOM 0 HE22 GLN A 988 6.314 -2.637 2.858 1.00 0.00 H new ATOM 1081 N LYS A 989 9.416 -4.860 -1.087 1.00 0.00 N ATOM 1082 CA LYS A 989 10.637 -4.113 -1.351 1.00 0.00 C ATOM 1083 C LYS A 989 10.282 -2.802 -2.046 1.00 0.00 C ATOM 1084 O LYS A 989 10.800 -1.731 -1.716 1.00 0.00 O ATOM 1085 CB LYS A 989 11.568 -4.948 -2.232 1.00 0.00 C ATOM 1086 CG LYS A 989 12.968 -4.380 -2.393 1.00 0.00 C ATOM 1087 CD LYS A 989 13.847 -5.303 -3.229 1.00 0.00 C ATOM 1088 CE LYS A 989 13.887 -6.713 -2.655 1.00 0.00 C ATOM 1089 NZ LYS A 989 14.788 -7.599 -3.436 1.00 0.00 N ATOM 0 H LYS A 989 9.380 -5.780 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 989 11.148 -3.893 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 989 11.643 -5.950 -1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 989 11.117 -5.051 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 989 12.913 -3.400 -2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 989 13.419 -4.235 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 989 13.471 -5.337 -4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 989 14.859 -4.900 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 989 14.223 -6.675 -1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 989 12.881 -7.132 -2.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 14.789 -8.550 -3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 14.453 -7.655 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 15.753 -7.212 -3.421 1.00 0.00 H new ATOM 1103 N LEU A 990 9.353 -2.905 -2.983 1.00 0.00 N ATOM 1104 CA LEU A 990 8.878 -1.763 -3.742 1.00 0.00 C ATOM 1105 C LEU A 990 7.988 -0.854 -2.872 1.00 0.00 C ATOM 1106 O LEU A 990 8.056 0.371 -2.981 1.00 0.00 O ATOM 1107 CB LEU A 990 8.152 -2.291 -4.994 1.00 0.00 C ATOM 1108 CG LEU A 990 6.744 -1.762 -5.257 1.00 0.00 C ATOM 1109 CD1 LEU A 990 6.795 -0.370 -5.878 1.00 0.00 C ATOM 1110 CD2 LEU A 990 5.990 -2.717 -6.160 1.00 0.00 C ATOM 0 H LEU A 990 8.907 -3.786 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 990 9.713 -1.138 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 990 8.767 -2.061 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 990 8.097 -3.377 -4.920 1.00 0.00 H new ATOM 0 HG LEU A 990 6.219 -1.689 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 990 5.780 -0.014 -6.056 1.00 0.00 H new ATOM 0 HD12 LEU A 990 7.305 0.313 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 990 7.336 -0.413 -6.823 1.00 0.00 H new ATOM 0 HD21 LEU A 990 4.987 -2.331 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 990 6.518 -2.815 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.921 -3.693 -5.681 1.00 0.00 H new ATOM 1122 N LEU A 991 7.205 -1.459 -1.975 1.00 0.00 N ATOM 1123 CA LEU A 991 6.323 -0.710 -1.072 1.00 0.00 C ATOM 1124 C LEU A 991 7.144 0.211 -0.201 1.00 0.00 C ATOM 1125 O LEU A 991 6.863 1.401 -0.077 1.00 0.00 O ATOM 1126 CB LEU A 991 5.559 -1.643 -0.127 1.00 0.00 C ATOM 1127 CG LEU A 991 4.723 -2.740 -0.765 1.00 0.00 C ATOM 1128 CD1 LEU A 991 4.396 -3.804 0.264 1.00 0.00 C ATOM 1129 CD2 LEU A 991 3.437 -2.182 -1.325 1.00 0.00 C ATOM 0 H LEU A 991 7.163 -2.471 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 991 5.623 -0.158 -1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 991 6.281 -2.113 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.901 -1.033 0.492 1.00 0.00 H new ATOM 0 HG LEU A 991 5.302 -3.176 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 991 3.797 -4.587 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 991 5.321 -4.235 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 991 3.835 -3.356 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.857 -2.987 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.859 -1.724 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 991 3.665 -1.431 -2.082 1.00 0.00 H new ATOM 1141 N ASN A 992 8.169 -0.372 0.406 1.00 0.00 N ATOM 1142 CA ASN A 992 9.002 0.334 1.360 1.00 0.00 C ATOM 1143 C ASN A 992 9.591 1.580 0.722 1.00 0.00 C ATOM 1144 O ASN A 992 9.608 2.644 1.332 1.00 0.00 O ATOM 1145 CB ASN A 992 10.114 -0.588 1.871 1.00 0.00 C ATOM 1146 CG ASN A 992 10.968 0.059 2.945 1.00 0.00 C ATOM 1147 OD1 ASN A 992 11.985 0.682 2.655 1.00 0.00 O ATOM 1148 ND2 ASN A 992 10.563 -0.093 4.197 1.00 0.00 N ATOM 0 H ASN A 992 8.442 -1.342 0.250 1.00 0.00 H new ATOM 0 HA ASN A 992 8.388 0.639 2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 992 9.669 -1.501 2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.750 -0.881 1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 992 11.102 0.315 4.961 1.00 0.00 H new ATOM 0 HD22 ASN A 992 9.712 -0.618 4.397 1.00 0.00 H new ATOM 1155 N SER A 993 10.032 1.448 -0.521 1.00 0.00 N ATOM 1156 CA SER A 993 10.651 2.555 -1.228 1.00 0.00 C ATOM 1157 C SER A 993 9.631 3.593 -1.708 1.00 0.00 C ATOM 1158 O SER A 993 9.931 4.786 -1.732 1.00 0.00 O ATOM 1159 CB SER A 993 11.461 2.025 -2.411 1.00 0.00 C ATOM 1160 OG SER A 993 10.718 1.076 -3.162 1.00 0.00 O ATOM 0 H SER A 993 9.972 0.584 -1.059 1.00 0.00 H new ATOM 0 HA SER A 993 11.311 3.062 -0.524 1.00 0.00 H new ATOM 0 HB2 SER A 993 11.752 2.854 -3.056 1.00 0.00 H new ATOM 0 HB3 SER A 993 12.380 1.565 -2.048 1.00 0.00 H new ATOM 0 HG SER A 993 9.765 1.164 -2.950 1.00 0.00 H new ATOM 1166 N ASP A 994 8.422 3.159 -2.069 1.00 0.00 N ATOM 1167 CA ASP A 994 7.474 4.072 -2.712 1.00 0.00 C ATOM 1168 C ASP A 994 6.549 4.766 -1.713 1.00 0.00 C ATOM 1169 O ASP A 994 6.302 5.970 -1.840 1.00 0.00 O ATOM 1170 CB ASP A 994 6.685 3.367 -3.814 1.00 0.00 C ATOM 1171 CG ASP A 994 7.401 3.450 -5.150 1.00 0.00 C ATOM 1172 OD1 ASP A 994 8.269 2.597 -5.431 1.00 0.00 O ATOM 1173 OD2 ASP A 994 7.126 4.399 -5.917 1.00 0.00 O ATOM 0 H ASP A 994 8.082 2.207 -1.932 1.00 0.00 H new ATOM 0 HA ASP A 994 8.067 4.860 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.536 2.322 -3.544 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.697 3.818 -3.901 1.00 0.00 H new ATOM 1178 N LEU A 995 6.049 4.034 -0.720 1.00 0.00 N ATOM 1179 CA LEU A 995 5.315 4.655 0.383 1.00 0.00 C ATOM 1180 C LEU A 995 6.237 5.657 1.083 1.00 0.00 C ATOM 1181 O LEU A 995 5.818 6.755 1.457 1.00 0.00 O ATOM 1182 CB LEU A 995 4.772 3.558 1.345 1.00 0.00 C ATOM 1183 CG LEU A 995 4.277 3.978 2.747 1.00 0.00 C ATOM 1184 CD1 LEU A 995 5.438 4.146 3.715 1.00 0.00 C ATOM 1185 CD2 LEU A 995 3.435 5.245 2.693 1.00 0.00 C ATOM 0 H LEU A 995 6.137 3.020 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 995 4.447 5.201 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 995 3.947 3.055 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 995 5.561 2.818 1.481 1.00 0.00 H new ATOM 0 HG LEU A 995 3.640 3.173 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 995 5.057 4.442 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 995 5.976 3.202 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 995 6.115 4.915 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 995 3.106 5.507 3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 995 4.030 6.060 2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 995 2.564 5.076 2.059 1.00 0.00 H new ATOM 1197 N ALA A 996 7.504 5.278 1.216 1.00 0.00 N ATOM 1198 CA ALA A 996 8.502 6.147 1.829 1.00 0.00 C ATOM 1199 C ALA A 996 8.564 7.504 1.146 1.00 0.00 C ATOM 1200 O ALA A 996 8.552 8.537 1.815 1.00 0.00 O ATOM 1201 CB ALA A 996 9.873 5.498 1.827 1.00 0.00 C ATOM 0 H ALA A 996 7.864 4.375 0.907 1.00 0.00 H new ATOM 0 HA ALA A 996 8.193 6.303 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 996 10.595 6.171 2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 996 9.834 4.564 2.388 1.00 0.00 H new ATOM 0 HB3 ALA A 996 10.176 5.292 0.801 1.00 0.00 H new ATOM 1207 N GLU A 997 8.646 7.515 -0.180 1.00 0.00 N ATOM 1208 CA GLU A 997 8.697 8.773 -0.909 1.00 0.00 C ATOM 1209 C GLU A 997 7.494 9.632 -0.608 1.00 0.00 C ATOM 1210 O GLU A 997 7.625 10.837 -0.454 1.00 0.00 O ATOM 1211 CB GLU A 997 8.778 8.552 -2.406 1.00 0.00 C ATOM 1212 CG GLU A 997 9.973 7.730 -2.821 1.00 0.00 C ATOM 1213 CD GLU A 997 11.283 8.411 -2.497 1.00 0.00 C ATOM 1214 OE1 GLU A 997 11.498 9.548 -2.965 1.00 0.00 O ATOM 1215 OE2 GLU A 997 12.098 7.815 -1.764 1.00 0.00 O ATOM 0 H GLU A 997 8.678 6.679 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 997 9.600 9.284 -0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 997 7.868 8.055 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.818 9.519 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 997 9.936 6.762 -2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.923 7.537 -3.893 1.00 0.00 H new ATOM 1222 N LEU A 998 6.328 9.016 -0.487 1.00 0.00 N ATOM 1223 CA LEU A 998 5.122 9.786 -0.261 1.00 0.00 C ATOM 1224 C LEU A 998 5.161 10.359 1.147 1.00 0.00 C ATOM 1225 O LEU A 998 4.658 11.452 1.402 1.00 0.00 O ATOM 1226 CB LEU A 998 3.869 8.939 -0.496 1.00 0.00 C ATOM 1227 CG LEU A 998 2.564 9.735 -0.592 1.00 0.00 C ATOM 1228 CD1 LEU A 998 2.703 10.881 -1.580 1.00 0.00 C ATOM 1229 CD2 LEU A 998 1.419 8.831 -1.006 1.00 0.00 C ATOM 0 H LEU A 998 6.195 8.006 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 998 5.076 10.607 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.000 8.370 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.779 8.217 0.315 1.00 0.00 H new ATOM 0 HG LEU A 998 2.348 10.149 0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.764 11.432 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 998 3.499 11.550 -1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.946 10.484 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 998 0.500 9.414 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 998 1.637 8.390 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 998 1.296 8.038 -0.268 1.00 0.00 H new ATOM 1241 N ILE A 999 5.827 9.638 2.044 1.00 0.00 N ATOM 1242 CA ILE A 999 6.066 10.134 3.401 1.00 0.00 C ATOM 1243 C ILE A 999 6.907 11.410 3.348 1.00 0.00 C ATOM 1244 O ILE A 999 6.711 12.341 4.127 1.00 0.00 O ATOM 1245 CB ILE A 999 6.780 9.082 4.288 1.00 0.00 C ATOM 1246 CG1 ILE A 999 5.852 7.898 4.567 1.00 0.00 C ATOM 1247 CG2 ILE A 999 7.260 9.704 5.596 1.00 0.00 C ATOM 1248 CD1 ILE A 999 6.456 6.861 5.491 1.00 0.00 C ATOM 0 H ILE A 999 6.211 8.711 1.859 1.00 0.00 H new ATOM 0 HA ILE A 999 5.094 10.344 3.847 1.00 0.00 H new ATOM 0 HB ILE A 999 7.653 8.720 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 999 4.926 8.268 5.006 1.00 0.00 H new ATOM 0 HG13 ILE A 999 5.589 7.422 3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 999 7.757 8.944 6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 999 7.960 10.511 5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 999 6.406 10.101 6.145 1.00 0.00 H new ATOM 0 HD11 ILE A 999 5.743 6.051 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 999 7.367 6.463 5.045 1.00 0.00 H new ATOM 0 HD13 ILE A 999 6.693 7.322 6.450 1.00 0.00 H new ATOM 1260 N ASN A1000 7.828 11.455 2.403 1.00 0.00 N ATOM 1261 CA ASN A1000 8.664 12.633 2.197 1.00 0.00 C ATOM 1262 C ASN A1000 7.986 13.591 1.245 1.00 0.00 C ATOM 1263 O ASN A1000 8.473 14.679 1.020 1.00 0.00 O ATOM 1264 CB ASN A1000 10.041 12.236 1.653 1.00 0.00 C ATOM 1265 CG ASN A1000 10.860 11.433 2.647 1.00 0.00 C ATOM 1266 OD1 ASN A1000 11.613 11.988 3.445 1.00 0.00 O ATOM 1267 ND2 ASN A1000 10.715 10.117 2.606 1.00 0.00 N ATOM 0 H ASN A1000 8.020 10.687 1.760 1.00 0.00 H new ATOM 0 HA ASN A1000 8.805 13.126 3.159 1.00 0.00 H new ATOM 0 HB2 ASN A1000 9.911 11.653 0.741 1.00 0.00 H new ATOM 0 HB3 ASN A1000 10.591 13.136 1.380 1.00 0.00 H new ATOM 0 HD21 ASN A1000 11.238 9.526 3.252 1.00 0.00 H new ATOM 0 HD22 ASN A1000 10.080 9.695 1.929 1.00 0.00 H new ATOM 1274 N LYS A1001 6.861 13.184 0.687 1.00 0.00 N ATOM 1275 CA LYS A1001 6.076 14.075 -0.152 1.00 0.00 C ATOM 1276 C LYS A1001 5.132 14.902 0.701 1.00 0.00 C ATOM 1277 O LYS A1001 4.876 16.052 0.395 1.00 0.00 O ATOM 1278 CB LYS A1001 5.314 13.328 -1.245 1.00 0.00 C ATOM 1279 CG LYS A1001 5.962 13.449 -2.616 1.00 0.00 C ATOM 1280 CD LYS A1001 7.324 12.774 -2.661 1.00 0.00 C ATOM 1281 CE LYS A1001 7.963 12.886 -4.035 1.00 0.00 C ATOM 1282 NZ LYS A1001 8.517 14.240 -4.284 1.00 0.00 N ATOM 0 H LYS A1001 6.471 12.248 0.797 1.00 0.00 H new ATOM 0 HA LYS A1001 6.772 14.742 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A1001 5.244 12.274 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS A1001 4.295 13.712 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A1001 5.310 13.002 -3.366 1.00 0.00 H new ATOM 0 HG3 LYS A1001 6.070 14.502 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A1001 7.979 13.227 -1.917 1.00 0.00 H new ATOM 0 HD3 LYS A1001 7.218 11.723 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A1001 8.759 12.147 -4.126 1.00 0.00 H new ATOM 0 HE3 LYS A1001 7.222 12.652 -4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 8.943 14.272 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 7.754 14.944 -4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 9.243 14.455 -3.571 1.00 0.00 H new ATOM 1296 N MET A1002 4.623 14.312 1.778 1.00 0.00 N ATOM 1297 CA MET A1002 3.849 15.059 2.755 1.00 0.00 C ATOM 1298 C MET A1002 4.811 15.914 3.539 1.00 0.00 C ATOM 1299 O MET A1002 4.514 17.045 3.915 1.00 0.00 O ATOM 1300 CB MET A1002 3.089 14.123 3.705 1.00 0.00 C ATOM 1301 CG MET A1002 3.983 13.299 4.628 1.00 0.00 C ATOM 1302 SD MET A1002 3.070 12.163 5.691 1.00 0.00 S ATOM 1303 CE MET A1002 4.386 11.510 6.712 1.00 0.00 C ATOM 0 H MET A1002 4.734 13.321 1.993 1.00 0.00 H new ATOM 0 HA MET A1002 3.106 15.670 2.242 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.409 14.718 4.314 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.475 13.444 3.113 1.00 0.00 H new ATOM 0 HG2 MET A1002 4.689 12.730 4.023 1.00 0.00 H new ATOM 0 HG3 MET A1002 4.569 13.975 5.251 1.00 0.00 H new ATOM 0 HE1 MET A1002 4.456 10.432 6.569 1.00 0.00 H new ATOM 0 HE2 MET A1002 5.330 11.976 6.430 1.00 0.00 H new ATOM 0 HE3 MET A1002 4.174 11.724 7.760 1.00 0.00 H new ATOM 1313 N LYS A1003 5.985 15.340 3.759 1.00 0.00 N ATOM 1314 CA LYS A1003 7.078 16.029 4.389 1.00 0.00 C ATOM 1315 C LYS A1003 7.486 17.209 3.529 1.00 0.00 C ATOM 1316 O LYS A1003 7.464 18.336 3.989 1.00 0.00 O ATOM 1317 CB LYS A1003 8.241 15.050 4.560 1.00 0.00 C ATOM 1318 CG LYS A1003 9.434 15.591 5.317 1.00 0.00 C ATOM 1319 CD LYS A1003 10.545 14.557 5.349 1.00 0.00 C ATOM 1320 CE LYS A1003 11.724 15.009 6.188 1.00 0.00 C ATOM 1321 NZ LYS A1003 12.841 14.031 6.127 1.00 0.00 N ATOM 0 H LYS A1003 6.197 14.377 3.500 1.00 0.00 H new ATOM 0 HA LYS A1003 6.783 16.403 5.369 1.00 0.00 H new ATOM 0 HB2 LYS A1003 7.875 14.163 5.077 1.00 0.00 H new ATOM 0 HB3 LYS A1003 8.573 14.729 3.573 1.00 0.00 H new ATOM 0 HG2 LYS A1003 9.791 16.505 4.843 1.00 0.00 H new ATOM 0 HG3 LYS A1003 9.141 15.853 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A1003 10.156 13.620 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A1003 10.881 14.356 4.332 1.00 0.00 H new ATOM 0 HE2 LYS A1003 12.070 15.981 5.837 1.00 0.00 H new ATOM 0 HE3 LYS A1003 11.408 15.138 7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 13.632 14.370 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 12.516 13.110 6.485 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 13.158 13.927 5.142 1.00 0.00 H new ATOM 1335 N LEU A1004 7.830 16.931 2.272 1.00 0.00 N ATOM 1336 CA LEU A1004 8.221 17.965 1.315 1.00 0.00 C ATOM 1337 C LEU A1004 7.097 18.940 0.968 1.00 0.00 C ATOM 1338 O LEU A1004 7.362 20.116 0.764 1.00 0.00 O ATOM 1339 CB LEU A1004 8.786 17.334 0.039 1.00 0.00 C ATOM 1340 CG LEU A1004 10.316 17.349 -0.064 1.00 0.00 C ATOM 1341 CD1 LEU A1004 10.955 16.662 1.135 1.00 0.00 C ATOM 1342 CD2 LEU A1004 10.767 16.686 -1.354 1.00 0.00 C ATOM 0 H LEU A1004 7.845 15.986 1.889 1.00 0.00 H new ATOM 0 HA LEU A1004 8.995 18.552 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A1004 8.442 16.301 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A1004 8.373 17.859 -0.822 1.00 0.00 H new ATOM 0 HG LEU A1004 10.642 18.389 -0.070 1.00 0.00 H new ATOM 0 HD11 LEU A1004 12.040 16.688 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A1004 10.663 17.179 2.049 1.00 0.00 H new ATOM 0 HD13 LEU A1004 10.620 15.626 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A1004 11.855 16.705 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A1004 10.421 15.653 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A1004 10.349 17.224 -2.205 1.00 0.00 H new ATOM 1354 N ALA A1005 5.860 18.478 0.891 1.00 0.00 N ATOM 1355 CA ALA A1005 4.745 19.384 0.622 1.00 0.00 C ATOM 1356 C ALA A1005 4.611 20.387 1.754 1.00 0.00 C ATOM 1357 O ALA A1005 4.521 21.597 1.544 1.00 0.00 O ATOM 1358 CB ALA A1005 3.445 18.620 0.449 1.00 0.00 C ATOM 0 H ALA A1005 5.600 17.499 1.008 1.00 0.00 H new ATOM 0 HA ALA A1005 4.953 19.912 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.635 19.321 0.250 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.539 17.927 -0.387 1.00 0.00 H new ATOM 0 HB3 ALA A1005 3.227 18.062 1.360 1.00 0.00 H new ATOM 1364 N GLN A1006 4.647 19.867 2.967 1.00 0.00 N ATOM 1365 CA GLN A1006 4.590 20.692 4.153 1.00 0.00 C ATOM 1366 C GLN A1006 5.955 21.364 4.367 1.00 0.00 C ATOM 1367 O GLN A1006 6.119 22.241 5.215 1.00 0.00 O ATOM 1368 CB GLN A1006 4.158 19.821 5.346 1.00 0.00 C ATOM 1369 CG GLN A1006 5.299 19.220 6.152 1.00 0.00 C ATOM 1370 CD GLN A1006 5.454 19.877 7.510 1.00 0.00 C ATOM 1371 OE1 GLN A1006 5.137 21.052 7.683 1.00 0.00 O ATOM 1372 NE2 GLN A1006 5.936 19.124 8.485 1.00 0.00 N ATOM 0 H GLN A1006 4.716 18.867 3.154 1.00 0.00 H new ATOM 0 HA GLN A1006 3.853 21.488 4.046 1.00 0.00 H new ATOM 0 HB2 GLN A1006 3.542 20.424 6.012 1.00 0.00 H new ATOM 0 HB3 GLN A1006 3.529 19.011 4.976 1.00 0.00 H new ATOM 0 HG2 GLN A1006 5.124 18.153 6.285 1.00 0.00 H new ATOM 0 HG3 GLN A1006 6.229 19.323 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A1006 6.188 18.153 8.302 1.00 0.00 H new ATOM 0 HE22 GLN A1006 6.056 19.515 9.420 1.00 0.00 H new ATOM 1381 N GLN A1007 6.928 20.935 3.565 1.00 0.00 N ATOM 1382 CA GLN A1007 8.280 21.467 3.591 1.00 0.00 C ATOM 1383 C GLN A1007 8.410 22.641 2.618 1.00 0.00 C ATOM 1384 O GLN A1007 9.303 23.480 2.743 1.00 0.00 O ATOM 1385 CB GLN A1007 9.248 20.349 3.190 1.00 0.00 C ATOM 1386 CG GLN A1007 10.544 20.305 3.969 1.00 0.00 C ATOM 1387 CD GLN A1007 10.327 20.162 5.464 1.00 0.00 C ATOM 1388 OE1 GLN A1007 11.150 20.609 6.261 1.00 0.00 O ATOM 1389 NE2 GLN A1007 9.210 19.556 5.858 1.00 0.00 N ATOM 0 H GLN A1007 6.793 20.199 2.872 1.00 0.00 H new ATOM 0 HA GLN A1007 8.514 21.827 4.593 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.740 19.392 3.308 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.483 20.457 2.131 1.00 0.00 H new ATOM 0 HG2 GLN A1007 11.149 19.471 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A1007 11.111 21.215 3.774 1.00 0.00 H new ATOM 0 HE21 GLN A1007 8.552 19.199 5.165 1.00 0.00 H new ATOM 0 HE22 GLN A1007 9.012 19.449 6.853 1.00 0.00 H new ATOM 1398 N TYR A1008 7.500 22.688 1.655 1.00 0.00 N ATOM 1399 CA TYR A1008 7.541 23.675 0.581 1.00 0.00 C ATOM 1400 C TYR A1008 6.319 24.577 0.663 1.00 0.00 C ATOM 1401 O TYR A1008 6.111 25.439 -0.189 1.00 0.00 O ATOM 1402 CB TYR A1008 7.575 22.936 -0.761 1.00 0.00 C ATOM 1403 CG TYR A1008 7.716 23.801 -1.996 1.00 0.00 C ATOM 1404 CD1 TYR A1008 8.919 24.424 -2.300 1.00 0.00 C ATOM 1405 CD2 TYR A1008 6.650 23.962 -2.875 1.00 0.00 C ATOM 1406 CE1 TYR A1008 9.054 25.191 -3.441 1.00 0.00 C ATOM 1407 CE2 TYR A1008 6.781 24.722 -4.021 1.00 0.00 C ATOM 1408 CZ TYR A1008 7.984 25.335 -4.299 1.00 0.00 C ATOM 1409 OH TYR A1008 8.125 26.084 -5.444 1.00 0.00 O ATOM 0 H TYR A1008 6.712 22.044 1.595 1.00 0.00 H new ATOM 0 HA TYR A1008 8.431 24.297 0.675 1.00 0.00 H new ATOM 0 HB2 TYR A1008 8.404 22.228 -0.742 1.00 0.00 H new ATOM 0 HB3 TYR A1008 6.659 22.352 -0.854 1.00 0.00 H new ATOM 0 HD1 TYR A1008 9.762 24.307 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A1008 5.705 23.485 -2.658 1.00 0.00 H new ATOM 0 HE1 TYR A1008 9.994 25.676 -3.660 1.00 0.00 H new ATOM 0 HE2 TYR A1008 5.945 24.835 -4.696 1.00 0.00 H new ATOM 0 HH TYR A1008 7.280 26.085 -5.940 1.00 0.00 H new ATOM 1496 N GLN A1014 2.881 26.236 -3.684 1.00 0.00 N ATOM 1497 CA GLN A1014 2.988 24.882 -3.145 1.00 0.00 C ATOM 1498 C GLN A1014 2.472 23.861 -4.158 1.00 0.00 C ATOM 1499 O GLN A1014 2.846 22.696 -4.119 1.00 0.00 O ATOM 1500 CB GLN A1014 2.199 24.768 -1.829 1.00 0.00 C ATOM 1501 CG GLN A1014 2.775 23.748 -0.855 1.00 0.00 C ATOM 1502 CD GLN A1014 2.572 22.305 -1.279 1.00 0.00 C ATOM 1503 OE1 GLN A1014 3.450 21.475 -1.100 1.00 0.00 O ATOM 1504 NE2 GLN A1014 1.393 21.978 -1.785 1.00 0.00 N ATOM 0 HA GLN A1014 4.039 24.672 -2.944 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.173 25.745 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.168 24.498 -2.056 1.00 0.00 H new ATOM 0 HG2 GLN A1014 3.843 23.935 -0.739 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.317 23.896 0.123 1.00 0.00 H new ATOM 0 HE21 GLN A1014 0.680 22.695 -1.922 1.00 0.00 H new ATOM 0 HE22 GLN A1014 1.197 21.009 -2.037 1.00 0.00 H new ATOM 1513 N GLN A1015 1.639 24.318 -5.088 1.00 0.00 N ATOM 1514 CA GLN A1015 1.020 23.428 -6.061 1.00 0.00 C ATOM 1515 C GLN A1015 2.068 22.620 -6.831 1.00 0.00 C ATOM 1516 O GLN A1015 1.816 21.483 -7.211 1.00 0.00 O ATOM 1517 CB GLN A1015 0.123 24.206 -7.022 1.00 0.00 C ATOM 1518 CG GLN A1015 0.823 25.330 -7.766 1.00 0.00 C ATOM 1519 CD GLN A1015 -0.117 26.072 -8.692 1.00 0.00 C ATOM 1520 OE1 GLN A1015 -1.063 25.494 -9.223 1.00 0.00 O ATOM 1521 NE2 GLN A1015 0.130 27.357 -8.889 1.00 0.00 N ATOM 0 H GLN A1015 1.378 25.299 -5.187 1.00 0.00 H new ATOM 0 HA GLN A1015 0.399 22.723 -5.509 1.00 0.00 H new ATOM 0 HB2 GLN A1015 -0.297 23.512 -7.750 1.00 0.00 H new ATOM 0 HB3 GLN A1015 -0.713 24.624 -6.461 1.00 0.00 H new ATOM 0 HG2 GLN A1015 1.250 26.029 -7.047 1.00 0.00 H new ATOM 0 HG3 GLN A1015 1.652 24.921 -8.343 1.00 0.00 H new ATOM 0 HE21 GLN A1015 0.926 27.800 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -0.475 27.905 -9.500 1.00 0.00 H new ATOM 1530 N GLU A1016 3.227 23.223 -7.078 1.00 0.00 N ATOM 1531 CA GLU A1016 4.366 22.488 -7.628 1.00 0.00 C ATOM 1532 C GLU A1016 4.650 21.203 -6.839 1.00 0.00 C ATOM 1533 O GLU A1016 4.774 20.126 -7.423 1.00 0.00 O ATOM 1534 CB GLU A1016 5.612 23.365 -7.649 1.00 0.00 C ATOM 1535 CG GLU A1016 6.808 22.672 -8.271 1.00 0.00 C ATOM 1536 CD GLU A1016 8.002 23.580 -8.420 1.00 0.00 C ATOM 1537 OE1 GLU A1016 7.993 24.433 -9.332 1.00 0.00 O ATOM 1538 OE2 GLU A1016 8.961 23.443 -7.637 1.00 0.00 O ATOM 0 H GLU A1016 3.404 24.213 -6.908 1.00 0.00 H new ATOM 0 HA GLU A1016 4.105 22.208 -8.649 1.00 0.00 H new ATOM 0 HB2 GLU A1016 5.398 24.279 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A1016 5.859 23.661 -6.630 1.00 0.00 H new ATOM 0 HG2 GLU A1016 7.084 21.815 -7.657 1.00 0.00 H new ATOM 0 HG3 GLU A1016 6.528 22.285 -9.251 1.00 0.00 H new ATOM 1545 N TYR A1017 4.724 21.306 -5.514 1.00 0.00 N ATOM 1546 CA TYR A1017 4.974 20.133 -4.680 1.00 0.00 C ATOM 1547 C TYR A1017 3.694 19.327 -4.476 1.00 0.00 C ATOM 1548 O TYR A1017 3.738 18.174 -4.055 1.00 0.00 O ATOM 1549 CB TYR A1017 5.606 20.525 -3.335 1.00 0.00 C ATOM 1550 CG TYR A1017 7.125 20.501 -3.363 1.00 0.00 C ATOM 1551 CD1 TYR A1017 7.822 20.811 -4.527 1.00 0.00 C ATOM 1552 CD2 TYR A1017 7.864 20.157 -2.232 1.00 0.00 C ATOM 1553 CE1 TYR A1017 9.203 20.778 -4.567 1.00 0.00 C ATOM 1554 CE2 TYR A1017 9.246 20.127 -2.265 1.00 0.00 C ATOM 1555 CZ TYR A1017 9.910 20.435 -3.435 1.00 0.00 C ATOM 1556 OH TYR A1017 11.287 20.400 -3.471 1.00 0.00 O ATOM 0 H TYR A1017 4.616 22.180 -4.999 1.00 0.00 H new ATOM 0 HA TYR A1017 5.690 19.499 -5.204 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.269 21.524 -3.059 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.252 19.844 -2.561 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.273 21.083 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A1017 7.349 19.910 -1.315 1.00 0.00 H new ATOM 0 HE1 TYR A1017 9.725 21.020 -5.481 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.804 19.864 -1.378 1.00 0.00 H new ATOM 0 HH TYR A1017 11.631 20.141 -2.591 1.00 0.00 H new ATOM 1566 N LYS A1018 2.561 19.938 -4.798 1.00 0.00 N ATOM 1567 CA LYS A1018 1.283 19.232 -4.839 1.00 0.00 C ATOM 1568 C LYS A1018 1.281 18.242 -6.003 1.00 0.00 C ATOM 1569 O LYS A1018 0.734 17.143 -5.903 1.00 0.00 O ATOM 1570 CB LYS A1018 0.137 20.241 -4.990 1.00 0.00 C ATOM 1571 CG LYS A1018 -1.240 19.626 -5.206 1.00 0.00 C ATOM 1572 CD LYS A1018 -2.262 20.704 -5.543 1.00 0.00 C ATOM 1573 CE LYS A1018 -3.646 20.132 -5.828 1.00 0.00 C ATOM 1574 NZ LYS A1018 -4.247 19.484 -4.634 1.00 0.00 N ATOM 0 H LYS A1018 2.500 20.928 -5.036 1.00 0.00 H new ATOM 0 HA LYS A1018 1.141 18.681 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A1018 0.103 20.865 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A1018 0.360 20.898 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -1.195 18.895 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -1.550 19.091 -4.308 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -2.328 21.409 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -1.919 21.265 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -4.302 20.931 -6.174 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -3.576 19.404 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -5.258 19.309 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -3.765 18.581 -4.450 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -4.139 20.108 -3.809 1.00 0.00 H new ATOM 1588 N LYS A1019 1.914 18.638 -7.103 1.00 0.00 N ATOM 1589 CA LYS A1019 2.056 17.763 -8.260 1.00 0.00 C ATOM 1590 C LYS A1019 2.996 16.616 -7.916 1.00 0.00 C ATOM 1591 O LYS A1019 2.655 15.443 -8.083 1.00 0.00 O ATOM 1592 CB LYS A1019 2.605 18.540 -9.461 1.00 0.00 C ATOM 1593 CG LYS A1019 1.832 19.809 -9.780 1.00 0.00 C ATOM 1594 CD LYS A1019 0.377 19.517 -10.097 1.00 0.00 C ATOM 1595 CE LYS A1019 -0.423 20.797 -10.274 1.00 0.00 C ATOM 1596 NZ LYS A1019 0.119 21.652 -11.366 1.00 0.00 N ATOM 0 H LYS A1019 2.337 19.559 -7.217 1.00 0.00 H new ATOM 0 HA LYS A1019 1.075 17.368 -8.523 1.00 0.00 H new ATOM 0 HB2 LYS A1019 3.646 18.799 -9.268 1.00 0.00 H new ATOM 0 HB3 LYS A1019 2.595 17.891 -10.336 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.889 20.492 -8.933 1.00 0.00 H new ATOM 0 HG3 LYS A1019 2.295 20.313 -10.628 1.00 0.00 H new ATOM 0 HD2 LYS A1019 0.315 18.919 -11.006 1.00 0.00 H new ATOM 0 HD3 LYS A1019 -0.059 18.922 -9.294 1.00 0.00 H new ATOM 0 HE2 LYS A1019 -1.461 20.547 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A1019 -0.419 21.358 -9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 -0.532 22.444 -11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 1.049 22.024 -11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 0.218 21.086 -12.233 1.00 0.00 H new ATOM 1610 N GLN A1020 4.196 16.978 -7.467 1.00 0.00 N ATOM 1611 CA GLN A1020 5.164 16.006 -6.953 1.00 0.00 C ATOM 1612 C GLN A1020 4.503 15.058 -5.946 1.00 0.00 C ATOM 1613 O GLN A1020 4.796 13.863 -5.921 1.00 0.00 O ATOM 1614 CB GLN A1020 6.354 16.711 -6.290 1.00 0.00 C ATOM 1615 CG GLN A1020 6.942 17.856 -7.104 1.00 0.00 C ATOM 1616 CD GLN A1020 7.287 17.470 -8.530 1.00 0.00 C ATOM 1617 OE1 GLN A1020 7.631 16.324 -8.819 1.00 0.00 O ATOM 1618 NE2 GLN A1020 7.198 18.435 -9.430 1.00 0.00 N ATOM 0 H GLN A1020 4.525 17.943 -7.448 1.00 0.00 H new ATOM 0 HA GLN A1020 5.527 15.426 -7.801 1.00 0.00 H new ATOM 0 HB2 GLN A1020 6.038 17.096 -5.320 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.137 15.976 -6.102 1.00 0.00 H new ATOM 0 HG2 GLN A1020 6.231 18.682 -7.121 1.00 0.00 H new ATOM 0 HG3 GLN A1020 7.841 18.220 -6.607 1.00 0.00 H new ATOM 0 HE21 GLN A1020 6.909 19.371 -9.147 1.00 0.00 H new ATOM 0 HE22 GLN A1020 7.419 18.243 -10.407 1.00 0.00 H new ATOM 1627 N MET A1021 3.607 15.606 -5.125 1.00 0.00 N ATOM 1628 CA MET A1021 2.837 14.819 -4.165 1.00 0.00 C ATOM 1629 C MET A1021 2.020 13.742 -4.876 1.00 0.00 C ATOM 1630 O MET A1021 2.170 12.553 -4.598 1.00 0.00 O ATOM 1631 CB MET A1021 1.898 15.730 -3.366 1.00 0.00 C ATOM 1632 CG MET A1021 0.999 14.986 -2.394 1.00 0.00 C ATOM 1633 SD MET A1021 -0.354 16.009 -1.779 1.00 0.00 S ATOM 1634 CE MET A1021 0.549 17.311 -0.949 1.00 0.00 C ATOM 0 H MET A1021 3.396 16.604 -5.107 1.00 0.00 H new ATOM 0 HA MET A1021 3.538 14.335 -3.485 1.00 0.00 H new ATOM 0 HB2 MET A1021 2.495 16.454 -2.812 1.00 0.00 H new ATOM 0 HB3 MET A1021 1.277 16.294 -4.061 1.00 0.00 H new ATOM 0 HG2 MET A1021 0.588 14.105 -2.886 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.594 14.633 -1.552 1.00 0.00 H new ATOM 0 HE1 MET A1021 -0.146 17.932 -0.384 1.00 0.00 H new ATOM 0 HE2 MET A1021 1.279 16.871 -0.269 1.00 0.00 H new ATOM 0 HE3 MET A1021 1.065 17.924 -1.688 1.00 0.00 H new ATOM 1644 N LEU A1022 1.171 14.174 -5.802 1.00 0.00 N ATOM 1645 CA LEU A1022 0.319 13.261 -6.556 1.00 0.00 C ATOM 1646 C LEU A1022 1.160 12.264 -7.350 1.00 0.00 C ATOM 1647 O LEU A1022 0.793 11.099 -7.491 1.00 0.00 O ATOM 1648 CB LEU A1022 -0.600 14.051 -7.494 1.00 0.00 C ATOM 1649 CG LEU A1022 -1.621 13.213 -8.272 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -2.556 12.478 -7.319 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -2.418 14.098 -9.218 1.00 0.00 C ATOM 0 H LEU A1022 1.054 15.157 -6.050 1.00 0.00 H new ATOM 0 HA LEU A1022 -0.295 12.701 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A1022 -1.138 14.795 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A1022 0.018 14.595 -8.208 1.00 0.00 H new ATOM 0 HG LEU A1022 -1.080 12.471 -8.859 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -3.272 11.890 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -1.975 11.816 -6.677 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -3.091 13.202 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -3.139 13.490 -9.764 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -2.946 14.860 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -1.741 14.579 -9.924 1.00 0.00 H new ATOM 1663 N THR A1023 2.305 12.725 -7.837 1.00 0.00 N ATOM 1664 CA THR A1023 3.234 11.879 -8.576 1.00 0.00 C ATOM 1665 C THR A1023 3.723 10.719 -7.708 1.00 0.00 C ATOM 1666 O THR A1023 3.826 9.581 -8.167 1.00 0.00 O ATOM 1667 CB THR A1023 4.438 12.701 -9.080 1.00 0.00 C ATOM 1668 OG1 THR A1023 3.971 13.801 -9.876 1.00 0.00 O ATOM 1669 CG2 THR A1023 5.388 11.844 -9.905 1.00 0.00 C ATOM 0 H THR A1023 2.615 13.691 -7.732 1.00 0.00 H new ATOM 0 HA THR A1023 2.702 11.471 -9.436 1.00 0.00 H new ATOM 0 HB THR A1023 4.982 13.073 -8.212 1.00 0.00 H new ATOM 0 HG1 THR A1023 3.542 14.465 -9.297 1.00 0.00 H new ATOM 0 HG21 THR A1023 6.225 12.453 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A1023 5.761 11.023 -9.293 1.00 0.00 H new ATOM 0 HG23 THR A1023 4.858 11.441 -10.768 1.00 0.00 H new ATOM 1677 N ALA A1024 3.987 11.008 -6.442 1.00 0.00 N ATOM 1678 CA ALA A1024 4.442 9.986 -5.514 1.00 0.00 C ATOM 1679 C ALA A1024 3.273 9.141 -5.038 1.00 0.00 C ATOM 1680 O ALA A1024 3.429 7.957 -4.755 1.00 0.00 O ATOM 1681 CB ALA A1024 5.155 10.612 -4.334 1.00 0.00 C ATOM 0 H ALA A1024 3.894 11.939 -6.036 1.00 0.00 H new ATOM 0 HA ALA A1024 5.147 9.340 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.487 9.829 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A1024 6.019 11.175 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A1024 4.473 11.283 -3.811 1.00 0.00 H new ATOM 1687 N ALA A1025 2.099 9.755 -4.956 1.00 0.00 N ATOM 1688 CA ALA A1025 0.888 9.037 -4.589 1.00 0.00 C ATOM 1689 C ALA A1025 0.544 8.012 -5.653 1.00 0.00 C ATOM 1690 O ALA A1025 0.146 6.892 -5.345 1.00 0.00 O ATOM 1691 CB ALA A1025 -0.271 10.001 -4.388 1.00 0.00 C ATOM 0 H ALA A1025 1.961 10.749 -5.139 1.00 0.00 H new ATOM 0 HA ALA A1025 1.067 8.519 -3.647 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -1.166 9.442 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA A1025 -0.025 10.705 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A1025 -0.454 10.548 -5.313 1.00 0.00 H new ATOM 1697 N HIS A1026 0.702 8.403 -6.911 1.00 0.00 N ATOM 1698 CA HIS A1026 0.529 7.483 -8.025 1.00 0.00 C ATOM 1699 C HIS A1026 1.579 6.381 -7.957 1.00 0.00 C ATOM 1700 O HIS A1026 1.282 5.217 -8.209 1.00 0.00 O ATOM 1701 CB HIS A1026 0.626 8.232 -9.362 1.00 0.00 C ATOM 1702 CG HIS A1026 0.623 7.335 -10.568 1.00 0.00 C ATOM 1703 ND1 HIS A1026 1.583 7.400 -11.554 1.00 0.00 N ATOM 1704 CD2 HIS A1026 -0.231 6.351 -10.944 1.00 0.00 C ATOM 1705 CE1 HIS A1026 1.321 6.499 -12.482 1.00 0.00 C ATOM 1706 NE2 HIS A1026 0.227 5.849 -12.135 1.00 0.00 N ATOM 0 H HIS A1026 0.950 9.354 -7.185 1.00 0.00 H new ATOM 0 HA HIS A1026 -0.461 7.032 -7.956 1.00 0.00 H new ATOM 0 HB2 HIS A1026 -0.209 8.928 -9.438 1.00 0.00 H new ATOM 0 HB3 HIS A1026 1.539 8.828 -9.367 1.00 0.00 H new ATOM 0 HD2 HIS A1026 -1.108 6.024 -10.406 1.00 0.00 H new ATOM 0 HE1 HIS A1026 1.904 6.324 -13.374 1.00 0.00 H new ATOM 0 HE2 HIS A1026 -0.208 5.095 -12.667 1.00 0.00 H new ATOM 1715 N ALA A1027 2.796 6.762 -7.598 1.00 0.00 N ATOM 1716 CA ALA A1027 3.901 5.818 -7.499 1.00 0.00 C ATOM 1717 C ALA A1027 3.663 4.809 -6.375 1.00 0.00 C ATOM 1718 O ALA A1027 3.834 3.606 -6.566 1.00 0.00 O ATOM 1719 CB ALA A1027 5.204 6.568 -7.282 1.00 0.00 C ATOM 0 H ALA A1027 3.045 7.724 -7.369 1.00 0.00 H new ATOM 0 HA ALA A1027 3.966 5.262 -8.434 1.00 0.00 H new ATOM 0 HB1 ALA A1027 6.026 5.856 -7.209 1.00 0.00 H new ATOM 0 HB2 ALA A1027 5.381 7.241 -8.121 1.00 0.00 H new ATOM 0 HB3 ALA A1027 5.142 7.146 -6.360 1.00 0.00 H new ATOM 1725 N LEU A1028 3.244 5.302 -5.214 1.00 0.00 N ATOM 1726 CA LEU A1028 2.949 4.428 -4.088 1.00 0.00 C ATOM 1727 C LEU A1028 1.667 3.633 -4.356 1.00 0.00 C ATOM 1728 O LEU A1028 1.490 2.521 -3.872 1.00 0.00 O ATOM 1729 CB LEU A1028 2.895 5.226 -2.757 1.00 0.00 C ATOM 1730 CG LEU A1028 1.733 4.901 -1.799 1.00 0.00 C ATOM 1731 CD1 LEU A1028 2.074 5.360 -0.396 1.00 0.00 C ATOM 1732 CD2 LEU A1028 0.439 5.570 -2.246 1.00 0.00 C ATOM 0 H LEU A1028 3.102 6.295 -5.030 1.00 0.00 H new ATOM 0 HA LEU A1028 3.759 3.707 -3.977 1.00 0.00 H new ATOM 0 HB2 LEU A1028 3.831 5.061 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A1028 2.849 6.288 -2.999 1.00 0.00 H new ATOM 0 HG LEU A1028 1.586 3.821 -1.811 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.247 5.126 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A1028 2.974 4.848 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A1028 2.247 6.436 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -0.360 5.320 -1.548 1.00 0.00 H new ATOM 0 HD22 LEU A1028 0.577 6.651 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A1028 0.173 5.218 -3.243 1.00 0.00 H new ATOM 1744 N ALA A1029 0.764 4.202 -5.141 1.00 0.00 N ATOM 1745 CA ALA A1029 -0.395 3.452 -5.599 1.00 0.00 C ATOM 1746 C ALA A1029 0.063 2.220 -6.373 1.00 0.00 C ATOM 1747 O ALA A1029 -0.506 1.135 -6.240 1.00 0.00 O ATOM 1748 CB ALA A1029 -1.306 4.318 -6.458 1.00 0.00 C ATOM 0 H ALA A1029 0.810 5.166 -5.470 1.00 0.00 H new ATOM 0 HA ALA A1029 -0.969 3.134 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -2.164 3.730 -6.786 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -1.652 5.171 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -0.755 4.673 -7.329 1.00 0.00 H new ATOM 1754 N VAL A1030 1.088 2.406 -7.202 1.00 0.00 N ATOM 1755 CA VAL A1030 1.721 1.306 -7.917 1.00 0.00 C ATOM 1756 C VAL A1030 2.307 0.250 -6.969 1.00 0.00 C ATOM 1757 O VAL A1030 2.328 -0.939 -7.310 1.00 0.00 O ATOM 1758 CB VAL A1030 2.821 1.828 -8.878 1.00 0.00 C ATOM 1759 CG1 VAL A1030 3.438 0.693 -9.678 1.00 0.00 C ATOM 1760 CG2 VAL A1030 2.259 2.879 -9.822 1.00 0.00 C ATOM 0 H VAL A1030 1.499 3.319 -7.395 1.00 0.00 H new ATOM 0 HA VAL A1030 0.937 0.824 -8.501 1.00 0.00 H new ATOM 0 HB VAL A1030 3.600 2.282 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A1030 4.205 1.091 -10.342 1.00 0.00 H new ATOM 0 HG12 VAL A1030 3.887 -0.030 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL A1030 2.665 0.203 -10.270 1.00 0.00 H new ATOM 0 HG21 VAL A1030 3.048 3.231 -10.486 1.00 0.00 H new ATOM 0 HG22 VAL A1030 1.454 2.443 -10.414 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.871 3.718 -9.244 1.00 0.00 H new ATOM 1770 N ASP A1031 2.754 0.651 -5.780 1.00 0.00 N ATOM 1771 CA ASP A1031 3.293 -0.334 -4.841 1.00 0.00 C ATOM 1772 C ASP A1031 2.150 -1.108 -4.191 1.00 0.00 C ATOM 1773 O ASP A1031 2.212 -2.337 -4.082 1.00 0.00 O ATOM 1774 CB ASP A1031 4.270 0.270 -3.795 1.00 0.00 C ATOM 1775 CG ASP A1031 3.655 1.115 -2.687 1.00 0.00 C ATOM 1776 OD1 ASP A1031 2.780 0.621 -1.951 1.00 0.00 O ATOM 1777 OD2 ASP A1031 4.091 2.272 -2.526 1.00 0.00 O ATOM 0 H ASP A1031 2.756 1.616 -5.450 1.00 0.00 H new ATOM 0 HA ASP A1031 3.906 -1.029 -5.415 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.820 -0.549 -3.332 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.998 0.883 -4.325 1.00 0.00 H new ATOM 1782 N ALA A1032 1.078 -0.398 -3.841 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.119 -1.020 -3.292 1.00 0.00 C ATOM 1784 C ALA A1032 -0.690 -2.049 -4.268 1.00 0.00 C ATOM 1785 O ALA A1032 -0.895 -3.212 -3.922 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.161 0.047 -2.989 1.00 0.00 C ATOM 0 H ALA A1032 1.018 0.616 -3.930 1.00 0.00 H new ATOM 0 HA ALA A1032 0.148 -1.535 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -2.055 -0.423 -2.579 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.758 0.754 -2.264 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.418 0.575 -3.907 1.00 0.00 H new ATOM 1792 N LYS A1033 -0.910 -1.626 -5.509 1.00 0.00 N ATOM 1793 CA LYS A1033 -1.609 -2.460 -6.482 1.00 0.00 C ATOM 1794 C LYS A1033 -0.817 -3.721 -6.848 1.00 0.00 C ATOM 1795 O LYS A1033 -1.405 -4.773 -7.115 1.00 0.00 O ATOM 1796 CB LYS A1033 -1.971 -1.654 -7.734 1.00 0.00 C ATOM 1797 CG LYS A1033 -0.793 -1.259 -8.606 1.00 0.00 C ATOM 1798 CD LYS A1033 -1.239 -0.339 -9.730 1.00 0.00 C ATOM 1799 CE LYS A1033 -0.144 -0.117 -10.760 1.00 0.00 C ATOM 1800 NZ LYS A1033 0.195 -1.366 -11.490 1.00 0.00 N ATOM 0 H LYS A1033 -0.616 -0.716 -5.864 1.00 0.00 H new ATOM 0 HA LYS A1033 -2.532 -2.794 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -2.668 -2.238 -8.335 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -2.495 -0.749 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -0.037 -0.760 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -0.328 -2.152 -9.024 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -2.115 -0.765 -10.220 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -1.542 0.621 -9.312 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -0.465 0.643 -11.472 1.00 0.00 H new ATOM 0 HE3 LYS A1033 0.748 0.267 -10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 0.718 -1.130 -12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 0.784 -1.973 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -0.680 -1.870 -11.740 1.00 0.00 H new ATOM 1814 N ASN A1034 0.510 -3.639 -6.842 1.00 0.00 N ATOM 1815 CA ASN A1034 1.319 -4.808 -7.172 1.00 0.00 C ATOM 1816 C ASN A1034 1.290 -5.807 -6.023 1.00 0.00 C ATOM 1817 O ASN A1034 1.246 -7.014 -6.235 1.00 0.00 O ATOM 1818 CB ASN A1034 2.764 -4.424 -7.486 1.00 0.00 C ATOM 1819 CG ASN A1034 3.555 -5.592 -8.054 1.00 0.00 C ATOM 1820 OD1 ASN A1034 3.009 -6.457 -8.736 1.00 0.00 O ATOM 1821 ND2 ASN A1034 4.846 -5.625 -7.778 1.00 0.00 N ATOM 0 H ASN A1034 1.039 -2.796 -6.618 1.00 0.00 H new ATOM 0 HA ASN A1034 0.890 -5.264 -8.064 1.00 0.00 H new ATOM 0 HB2 ASN A1034 2.773 -3.600 -8.199 1.00 0.00 H new ATOM 0 HB3 ASN A1034 3.249 -4.065 -6.578 1.00 0.00 H new ATOM 0 HD21 ASN A1034 5.424 -6.386 -8.134 1.00 0.00 H new ATOM 0 HD22 ASN A1034 5.265 -4.890 -7.209 1.00 0.00 H new ATOM 1828 N LEU A1035 1.258 -5.290 -4.803 1.00 0.00 N ATOM 1829 CA LEU A1035 1.268 -6.138 -3.616 1.00 0.00 C ATOM 1830 C LEU A1035 -0.102 -6.760 -3.402 1.00 0.00 C ATOM 1831 O LEU A1035 -0.191 -7.876 -2.925 1.00 0.00 O ATOM 1832 CB LEU A1035 1.667 -5.336 -2.375 1.00 0.00 C ATOM 1833 CG LEU A1035 1.484 -6.074 -1.051 1.00 0.00 C ATOM 1834 CD1 LEU A1035 2.657 -7.002 -0.775 1.00 0.00 C ATOM 1835 CD2 LEU A1035 1.300 -5.088 0.078 1.00 0.00 C ATOM 0 H LEU A1035 1.225 -4.289 -4.608 1.00 0.00 H new ATOM 0 HA LEU A1035 2.003 -6.928 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.712 -5.042 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A1035 1.079 -4.418 -2.348 1.00 0.00 H new ATOM 0 HG LEU A1035 0.586 -6.688 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A1035 2.500 -7.514 0.174 1.00 0.00 H new ATOM 0 HD12 LEU A1035 2.735 -7.737 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A1035 3.577 -6.420 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.171 -5.629 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.178 -4.446 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.418 -4.477 -0.113 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.166 -6.053 -3.769 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.514 -6.588 -3.598 1.00 0.00 C ATOM 1849 C LEU A1036 -2.710 -7.780 -4.509 1.00 0.00 C ATOM 1850 O LEU A1036 -3.556 -8.618 -4.260 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.613 -5.523 -3.809 1.00 0.00 C ATOM 1852 CG LEU A1036 -3.747 -4.891 -5.203 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -4.494 -5.808 -6.166 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -4.463 -3.553 -5.095 1.00 0.00 C ATOM 0 H LEU A1036 -1.124 -5.121 -4.181 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.613 -6.912 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -4.571 -5.977 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.441 -4.719 -3.093 1.00 0.00 H new ATOM 0 HG LEU A1036 -2.744 -4.738 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -4.569 -5.327 -7.141 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -3.953 -6.749 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.494 -6.004 -5.780 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -4.556 -3.109 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -5.456 -3.705 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -3.891 -2.885 -4.450 1.00 0.00 H new ATOM 1866 N ASP A1037 -1.922 -7.824 -5.570 1.00 0.00 N ATOM 1867 CA ASP A1037 -1.819 -9.008 -6.419 1.00 0.00 C ATOM 1868 C ASP A1037 -0.862 -10.017 -5.778 1.00 0.00 C ATOM 1869 O ASP A1037 -1.098 -11.221 -5.796 1.00 0.00 O ATOM 1870 CB ASP A1037 -1.318 -8.609 -7.812 1.00 0.00 C ATOM 1871 CG ASP A1037 -1.197 -9.785 -8.764 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -2.236 -10.228 -9.300 1.00 0.00 O ATOM 1873 OD2 ASP A1037 -0.065 -10.260 -8.996 1.00 0.00 O ATOM 0 H ASP A1037 -1.336 -7.045 -5.870 1.00 0.00 H new ATOM 0 HA ASP A1037 -2.802 -9.468 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -1.999 -7.873 -8.239 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.346 -8.126 -7.717 1.00 0.00 H new ATOM 1878 N VAL A1038 0.213 -9.489 -5.206 1.00 0.00 N ATOM 1879 CA VAL A1038 1.207 -10.267 -4.465 1.00 0.00 C ATOM 1880 C VAL A1038 0.586 -11.121 -3.358 1.00 0.00 C ATOM 1881 O VAL A1038 0.650 -12.341 -3.398 1.00 0.00 O ATOM 1882 CB VAL A1038 2.253 -9.311 -3.845 1.00 0.00 C ATOM 1883 CG1 VAL A1038 2.982 -9.941 -2.667 1.00 0.00 C ATOM 1884 CG2 VAL A1038 3.239 -8.857 -4.904 1.00 0.00 C ATOM 0 H VAL A1038 0.425 -8.492 -5.243 1.00 0.00 H new ATOM 0 HA VAL A1038 1.677 -10.947 -5.176 1.00 0.00 H new ATOM 0 HB VAL A1038 1.717 -8.444 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A1038 3.706 -9.232 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.262 -10.203 -1.892 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.501 -10.840 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A1038 3.970 -8.185 -4.456 1.00 0.00 H new ATOM 0 HG22 VAL A1038 3.751 -9.725 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.705 -8.335 -5.698 1.00 0.00 H new ATOM 1894 N ILE A1039 0.023 -10.460 -2.365 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.556 -11.129 -1.204 1.00 0.00 C ATOM 1896 C ILE A1039 -1.899 -11.790 -1.523 1.00 0.00 C ATOM 1897 O ILE A1039 -2.290 -12.748 -0.854 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.688 -10.185 0.016 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -1.132 -8.774 -0.384 1.00 0.00 C ATOM 1900 CG2 ILE A1039 0.635 -10.109 0.759 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -2.476 -8.702 -1.068 1.00 0.00 C ATOM 0 H ILE A1039 -0.049 -9.443 -2.335 1.00 0.00 H new ATOM 0 HA ILE A1039 0.146 -11.918 -0.936 1.00 0.00 H new ATOM 0 HB ILE A1039 -1.459 -10.603 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.161 -8.151 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -0.380 -8.346 -1.047 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.533 -9.443 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A1039 0.916 -11.104 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A1039 1.406 -9.726 0.091 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -2.705 -7.665 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -2.451 -9.294 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -3.244 -9.095 -0.403 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.615 -11.261 -2.513 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.737 -11.988 -3.105 1.00 0.00 C ATOM 1915 C ASP A1040 -3.246 -13.372 -3.456 1.00 0.00 C ATOM 1916 O ASP A1040 -3.864 -14.393 -3.135 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.226 -11.287 -4.373 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.442 -11.930 -5.006 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -5.300 -12.981 -5.666 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -6.539 -11.354 -4.895 1.00 0.00 O ATOM 0 H ASP A1040 -2.441 -10.342 -2.919 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.567 -12.030 -2.400 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -4.460 -10.250 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -3.416 -11.271 -5.102 1.00 0.00 H new ATOM 1925 N GLN A1041 -2.076 -13.378 -4.064 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.410 -14.609 -4.399 1.00 0.00 C ATOM 1927 C GLN A1041 -0.770 -15.230 -3.177 1.00 0.00 C ATOM 1928 O GLN A1041 -0.623 -16.421 -3.148 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.347 -14.428 -5.473 1.00 0.00 C ATOM 1930 CG GLN A1041 -0.906 -14.164 -6.861 1.00 0.00 C ATOM 1931 CD GLN A1041 0.183 -14.029 -7.903 1.00 0.00 C ATOM 1932 OE1 GLN A1041 0.607 -15.014 -8.509 1.00 0.00 O ATOM 1933 NE2 GLN A1041 0.633 -12.810 -8.133 1.00 0.00 N ATOM 0 H GLN A1041 -1.569 -12.535 -4.335 1.00 0.00 H new ATOM 0 HA GLN A1041 -2.183 -15.270 -4.792 1.00 0.00 H new ATOM 0 HB2 GLN A1041 0.302 -13.599 -5.191 1.00 0.00 H new ATOM 0 HB3 GLN A1041 0.275 -15.322 -5.508 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -1.575 -14.977 -7.141 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.503 -13.252 -6.842 1.00 0.00 H new ATOM 0 HE21 GLN A1041 0.256 -12.020 -7.610 1.00 0.00 H new ATOM 0 HE22 GLN A1041 1.358 -12.658 -8.834 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.364 -14.432 -2.181 1.00 0.00 N ATOM 1943 CA ALA A1042 0.194 -14.977 -0.941 1.00 0.00 C ATOM 1944 C ALA A1042 -0.727 -16.013 -0.317 1.00 0.00 C ATOM 1945 O ALA A1042 -0.329 -17.144 -0.067 1.00 0.00 O ATOM 1946 CB ALA A1042 0.440 -13.867 0.064 1.00 0.00 C ATOM 0 H ALA A1042 -0.412 -13.414 -2.211 1.00 0.00 H new ATOM 0 HA ALA A1042 1.137 -15.459 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A1042 0.855 -14.290 0.979 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.143 -13.147 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.501 -13.366 0.290 1.00 0.00 H new ATOM 1952 N ARG A1043 -1.958 -15.625 -0.059 1.00 0.00 N ATOM 1953 CA ARG A1043 -2.952 -16.573 0.426 1.00 0.00 C ATOM 1954 C ARG A1043 -3.136 -17.730 -0.566 1.00 0.00 C ATOM 1955 O ARG A1043 -3.423 -18.861 -0.170 1.00 0.00 O ATOM 1956 CB ARG A1043 -4.277 -15.870 0.691 1.00 0.00 C ATOM 1957 CG ARG A1043 -4.672 -15.843 2.162 1.00 0.00 C ATOM 1958 CD ARG A1043 -3.609 -15.187 3.035 1.00 0.00 C ATOM 1959 NE ARG A1043 -4.177 -14.666 4.284 1.00 0.00 N ATOM 1960 CZ ARG A1043 -3.557 -14.659 5.465 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -2.368 -15.235 5.611 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -4.156 -14.097 6.510 1.00 0.00 N ATOM 0 H ARG A1043 -2.297 -14.670 -0.174 1.00 0.00 H new ATOM 0 HA ARG A1043 -2.593 -16.992 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -4.215 -14.846 0.322 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -5.062 -16.368 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.613 -15.305 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -4.845 -16.862 2.508 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.829 -15.912 3.265 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -3.136 -14.374 2.484 1.00 0.00 H new ATOM 0 HE ARG A1043 -5.120 -14.279 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -1.920 -15.689 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -1.904 -15.223 6.519 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -5.080 -13.677 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -3.692 -14.085 7.418 1.00 0.00 H new ATOM 1976 N LEU A1044 -2.957 -17.444 -1.852 1.00 0.00 N ATOM 1977 CA LEU A1044 -3.003 -18.479 -2.885 1.00 0.00 C ATOM 1978 C LEU A1044 -1.707 -19.306 -2.889 1.00 0.00 C ATOM 1979 O LEU A1044 -1.680 -20.427 -3.390 1.00 0.00 O ATOM 1980 CB LEU A1044 -3.231 -17.843 -4.259 1.00 0.00 C ATOM 1981 CG LEU A1044 -3.417 -18.825 -5.419 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -4.694 -19.632 -5.239 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -3.435 -18.080 -6.747 1.00 0.00 C ATOM 0 H LEU A1044 -2.779 -16.504 -2.206 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.834 -19.149 -2.663 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -4.112 -17.204 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.383 -17.197 -4.486 1.00 0.00 H new ATOM 0 HG LEU A1044 -2.575 -19.517 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -4.808 -20.324 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -4.641 -20.194 -4.307 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -5.549 -18.957 -5.208 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -3.568 -18.792 -7.562 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -4.258 -17.365 -6.752 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -2.492 -17.549 -6.879 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.639 -18.741 -2.330 1.00 0.00 N ATOM 1996 CA LYS A1045 0.636 -19.436 -2.187 1.00 0.00 C ATOM 1997 C LYS A1045 0.460 -20.563 -1.197 1.00 0.00 C ATOM 1998 O LYS A1045 1.090 -21.614 -1.290 1.00 0.00 O ATOM 1999 CB LYS A1045 1.733 -18.495 -1.668 1.00 0.00 C ATOM 2000 CG LYS A1045 2.018 -17.280 -2.527 1.00 0.00 C ATOM 2001 CD LYS A1045 2.523 -17.642 -3.912 1.00 0.00 C ATOM 2002 CE LYS A1045 2.750 -16.390 -4.744 1.00 0.00 C ATOM 2003 NZ LYS A1045 3.316 -16.691 -6.081 1.00 0.00 N ATOM 0 H LYS A1045 -0.634 -17.789 -1.964 1.00 0.00 H new ATOM 0 HA LYS A1045 0.937 -19.811 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.452 -18.154 -0.671 1.00 0.00 H new ATOM 0 HB3 LYS A1045 2.655 -19.066 -1.562 1.00 0.00 H new ATOM 0 HG2 LYS A1045 1.109 -16.686 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A1045 2.758 -16.654 -2.028 1.00 0.00 H new ATOM 0 HD2 LYS A1045 3.453 -18.204 -3.830 1.00 0.00 H new ATOM 0 HD3 LYS A1045 1.802 -18.290 -4.410 1.00 0.00 H new ATOM 0 HE2 LYS A1045 1.804 -15.861 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A1045 3.424 -15.720 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 3.357 -15.818 -6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 4.275 -17.079 -5.973 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 2.714 -17.388 -6.564 1.00 0.00 H new ATOM 2017 N MET A1046 -0.410 -20.320 -0.237 1.00 0.00 N ATOM 2018 CA MET A1046 -0.746 -21.329 0.748 1.00 0.00 C ATOM 2019 C MET A1046 -1.532 -22.440 0.064 1.00 0.00 C ATOM 2020 O MET A1046 -1.344 -23.622 0.353 1.00 0.00 O ATOM 2021 CB MET A1046 -1.536 -20.701 1.898 1.00 0.00 C ATOM 2022 CG MET A1046 -1.756 -21.630 3.084 1.00 0.00 C ATOM 2023 SD MET A1046 -3.097 -22.811 2.834 1.00 0.00 S ATOM 2024 CE MET A1046 -4.494 -21.704 2.656 1.00 0.00 C ATOM 0 H MET A1046 -0.897 -19.432 -0.118 1.00 0.00 H new ATOM 0 HA MET A1046 0.161 -21.756 1.175 1.00 0.00 H new ATOM 0 HB2 MET A1046 -1.010 -19.810 2.241 1.00 0.00 H new ATOM 0 HB3 MET A1046 -2.505 -20.374 1.522 1.00 0.00 H new ATOM 0 HG2 MET A1046 -0.834 -22.176 3.284 1.00 0.00 H new ATOM 0 HG3 MET A1046 -1.970 -21.031 3.969 1.00 0.00 H new ATOM 0 HE1 MET A1046 -5.405 -22.214 2.969 1.00 0.00 H new ATOM 0 HE2 MET A1046 -4.341 -20.822 3.277 1.00 0.00 H new ATOM 0 HE3 MET A1046 -4.588 -21.401 1.613 1.00 0.00 H new ATOM 2034 N ILE A1047 -2.385 -22.045 -0.877 1.00 0.00 N ATOM 2035 CA ILE A1047 -3.096 -22.994 -1.727 1.00 0.00 C ATOM 2036 C ILE A1047 -2.107 -23.738 -2.614 1.00 0.00 C ATOM 2037 O ILE A1047 -2.247 -24.926 -2.862 1.00 0.00 O ATOM 2038 CB ILE A1047 -4.135 -22.284 -2.616 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -5.149 -21.550 -1.743 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -4.832 -23.274 -3.540 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -5.921 -22.457 -0.804 1.00 0.00 C ATOM 0 H ILE A1047 -2.601 -21.067 -1.071 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.618 -23.696 -1.076 1.00 0.00 H new ATOM 0 HB ILE A1047 -3.618 -21.557 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.628 -20.794 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.854 -21.024 -2.386 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.560 -22.746 -4.156 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -4.094 -23.754 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -5.342 -24.031 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -6.621 -21.862 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -6.471 -23.198 -1.384 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -5.226 -22.964 -0.134 1.00 0.00 H new ATOM 2053 N SER A1048 -1.098 -23.016 -3.075 1.00 0.00 N ATOM 2054 CA SER A1048 -0.041 -23.590 -3.890 1.00 0.00 C ATOM 2055 C SER A1048 0.656 -24.732 -3.147 1.00 0.00 C ATOM 2056 O SER A1048 0.924 -25.789 -3.722 1.00 0.00 O ATOM 2057 CB SER A1048 0.959 -22.495 -4.268 1.00 0.00 C ATOM 2058 OG SER A1048 0.338 -21.492 -5.056 1.00 0.00 O ATOM 0 H SER A1048 -0.989 -22.018 -2.895 1.00 0.00 H new ATOM 0 HA SER A1048 -0.475 -24.005 -4.800 1.00 0.00 H new ATOM 0 HB2 SER A1048 1.374 -22.048 -3.364 1.00 0.00 H new ATOM 0 HB3 SER A1048 1.792 -22.932 -4.819 1.00 0.00 H new ATOM 0 HG SER A1048 -0.372 -21.061 -4.536 1.00 0.00 H new ATOM 2064 N GLN A1049 0.919 -24.523 -1.863 1.00 0.00 N ATOM 2065 CA GLN A1049 1.552 -25.541 -1.034 1.00 0.00 C ATOM 2066 C GLN A1049 0.555 -26.645 -0.670 1.00 0.00 C ATOM 2067 O GLN A1049 0.874 -27.832 -0.751 1.00 0.00 O ATOM 2068 CB GLN A1049 2.113 -24.906 0.241 1.00 0.00 C ATOM 2069 CG GLN A1049 2.848 -25.889 1.140 1.00 0.00 C ATOM 2070 CD GLN A1049 3.202 -25.298 2.489 1.00 0.00 C ATOM 2071 OE1 GLN A1049 4.378 -24.700 2.591 1.00 0.00 O flip ATOM 2072 NE2 GLN A1049 2.419 -25.379 3.437 1.00 0.00 N flip ATOM 0 H GLN A1049 0.703 -23.655 -1.372 1.00 0.00 H new ATOM 0 HA GLN A1049 2.368 -25.986 -1.603 1.00 0.00 H new ATOM 0 HB2 GLN A1049 2.793 -24.100 -0.034 1.00 0.00 H new ATOM 0 HB3 GLN A1049 1.295 -24.455 0.803 1.00 0.00 H new ATOM 0 HG2 GLN A1049 2.228 -26.773 1.287 1.00 0.00 H new ATOM 0 HG3 GLN A1049 3.760 -26.218 0.642 1.00 0.00 H new ATOM 0 HE21 GLN A1049 1.521 -25.848 3.318 1.00 0.00 H new ATOM 0 HE22 GLN A1049 2.669 -24.977 4.340 1.00 0.00 H new