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 939 MET CE :methyl 144:sc= -0.0722 (180deg=-1.58!) USER MOD Set 1.2: A 954 MET CE :methyl -166:sc= -0.296 (180deg=-0.572) USER MOD Set 1.3: A1002 MET CE :methyl -143:sc= -2.17 (180deg=-3.89!) USER MOD Set 1.4: A1021 MET CE :methyl -159:sc= -0.209 (180deg=0) USER MOD Set 2.1: A 928 ASN : amide:sc= -1.62 K(o=-2.7,f=-5.9!) USER MOD Set 2.2: A 968 THR OG1 : rot -126:sc= -1.07 USER MOD Single : A 921 SER OG : rot 180:sc= 0 USER MOD Single : A 922 ASN : amide:sc= -9.51! C(o=-9.5!,f=-21!) USER MOD Single : A 924 LYS NZ :NH3+ 168:sc= -0.0477 (180deg=-0.226) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 84:sc= 1.06 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 940 SER OG : rot 20:sc= 0.756 USER MOD Single : A 941 SER OG : rot -84:sc= -0.472 USER MOD Single : A 942 LYS NZ :NH3+ 159:sc=-0.00825 (180deg=-0.283) USER MOD Single : A 944 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.25) USER MOD Single : A 951 TYR OH : rot 30:sc= 0 USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 972 SER OG : rot -141:sc= -3.83! USER MOD Single : A 979 SER OG : rot 6:sc= 1.15 USER MOD Single : A 980 THR OG1 : rot 20:sc= -1.74 USER MOD Single : A 981 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.7!) USER MOD Single : A 986 MET CE :methyl -109:sc= -0.851 (180deg=-2.88!) USER MOD Single : A 988 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 989 LYS NZ :NH3+ 165:sc= 2.13 (180deg=1.61) USER MOD Single : A 992 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= 0.621 K(o=0.62,f=-0.51) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 GLN :FLIP amide:sc= -1.19 F(o=-2!,f=-1.2) USER MOD Single : A1007 GLN :FLIP amide:sc= -0.238 F(o=-1.2,f=-0.24) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1014 GLN : amide:sc= 0.129 X(o=0.13,f=-0.092) USER MOD Single : A1015 GLN : amide:sc= 0.146 K(o=0.15,f=-6.4!) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0237) USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -1.02 K(o=-1,f=-6.1!) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.486 K(o=-0.49,f=-1.2!) USER MOD Single : A1041 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A1045 LYS NZ :NH3+ 174:sc= 1.01 (180deg=0.858) USER MOD Single : A1046 MET CE :methyl -113:sc= -1.39 (180deg=-3.21!) USER MOD Single : A1048 SER OG : rot 180:sc= 0 USER MOD Single : A1049 GLN : amide:sc= 0.185 X(o=0.19,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -8.320 -19.353 -3.058 1.00 0.00 N ATOM 2 CA ARG A 920 -8.288 -18.932 -1.659 1.00 0.00 C ATOM 3 C ARG A 920 -9.347 -17.862 -1.353 1.00 0.00 C ATOM 4 O ARG A 920 -9.534 -17.488 -0.196 1.00 0.00 O ATOM 5 CB ARG A 920 -6.897 -18.386 -1.330 1.00 0.00 C ATOM 6 CG ARG A 920 -6.652 -18.145 0.149 1.00 0.00 C ATOM 7 CD ARG A 920 -6.761 -19.431 0.940 1.00 0.00 C ATOM 8 NE ARG A 920 -6.640 -19.215 2.383 1.00 0.00 N ATOM 9 CZ ARG A 920 -7.229 -19.989 3.298 1.00 0.00 C ATOM 10 NH1 ARG A 920 -7.986 -21.012 2.921 1.00 0.00 N ATOM 11 NH2 ARG A 920 -7.063 -19.742 4.593 1.00 0.00 N ATOM 0 HA ARG A 920 -8.513 -19.802 -1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.148 -19.086 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -6.751 -17.449 -1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -5.662 -17.711 0.290 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -7.374 -17.421 0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -7.719 -19.905 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -5.984 -20.122 0.613 1.00 0.00 H new ATOM 0 HE ARG A 920 -6.075 -18.430 2.707 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -8.120 -21.209 1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -8.434 -21.601 3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -6.483 -18.958 4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -7.515 -20.336 5.288 1.00 0.00 H new ATOM 25 N SER A 921 -10.008 -17.355 -2.398 1.00 0.00 N ATOM 26 CA SER A 921 -10.963 -16.242 -2.279 1.00 0.00 C ATOM 27 C SER A 921 -10.235 -14.942 -1.932 1.00 0.00 C ATOM 28 O SER A 921 -10.837 -13.877 -1.825 1.00 0.00 O ATOM 29 CB SER A 921 -12.053 -16.552 -1.247 1.00 0.00 C ATOM 30 OG SER A 921 -12.799 -17.695 -1.632 1.00 0.00 O ATOM 0 H SER A 921 -9.898 -17.702 -3.351 1.00 0.00 H new ATOM 0 HA SER A 921 -11.451 -16.114 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 921 -11.599 -16.720 -0.271 1.00 0.00 H new ATOM 0 HB3 SER A 921 -12.719 -15.695 -1.145 1.00 0.00 H new ATOM 0 HG SER A 921 -13.488 -17.877 -0.960 1.00 0.00 H new ATOM 36 N ASN A 922 -8.925 -15.074 -1.774 1.00 0.00 N ATOM 37 CA ASN A 922 -8.012 -13.967 -1.557 1.00 0.00 C ATOM 38 C ASN A 922 -8.237 -13.233 -0.258 1.00 0.00 C ATOM 39 O ASN A 922 -8.672 -12.078 -0.227 1.00 0.00 O ATOM 40 CB ASN A 922 -7.992 -13.034 -2.717 1.00 0.00 C ATOM 41 CG ASN A 922 -6.584 -12.957 -3.161 1.00 0.00 C ATOM 42 OD1 ASN A 922 -5.837 -12.113 -2.709 1.00 0.00 O ATOM 43 ND2 ASN A 922 -6.190 -13.904 -3.978 1.00 0.00 N ATOM 0 H ASN A 922 -8.458 -15.981 -1.794 1.00 0.00 H new ATOM 0 HA ASN A 922 -7.024 -14.419 -1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -8.634 -13.397 -3.520 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -8.364 -12.050 -2.432 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -5.212 -13.957 -4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -6.861 -14.588 -4.328 1.00 0.00 H new ATOM 50 N ASP A 923 -7.800 -13.923 0.780 1.00 0.00 N ATOM 51 CA ASP A 923 -7.975 -13.580 2.190 1.00 0.00 C ATOM 52 C ASP A 923 -7.601 -12.124 2.512 1.00 0.00 C ATOM 53 O ASP A 923 -7.352 -11.320 1.628 1.00 0.00 O ATOM 54 CB ASP A 923 -7.130 -14.569 3.006 1.00 0.00 C ATOM 55 CG ASP A 923 -7.363 -14.495 4.496 1.00 0.00 C ATOM 56 OD1 ASP A 923 -8.514 -14.684 4.931 1.00 0.00 O ATOM 57 OD2 ASP A 923 -6.388 -14.256 5.231 1.00 0.00 O ATOM 0 H ASP A 923 -7.281 -14.793 0.659 1.00 0.00 H new ATOM 0 HA ASP A 923 -9.031 -13.659 2.449 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -7.345 -15.582 2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -6.075 -14.382 2.804 1.00 0.00 H new ATOM 62 N LYS A 924 -7.619 -11.800 3.795 1.00 0.00 N ATOM 63 CA LYS A 924 -7.297 -10.462 4.326 1.00 0.00 C ATOM 64 C LYS A 924 -6.086 -9.810 3.619 1.00 0.00 C ATOM 65 O LYS A 924 -5.854 -8.608 3.754 1.00 0.00 O ATOM 66 CB LYS A 924 -7.036 -10.583 5.836 1.00 0.00 C ATOM 67 CG LYS A 924 -7.635 -9.458 6.672 1.00 0.00 C ATOM 68 CD LYS A 924 -6.643 -8.334 6.915 1.00 0.00 C ATOM 69 CE LYS A 924 -7.263 -7.200 7.718 1.00 0.00 C ATOM 70 NZ LYS A 924 -7.792 -7.659 9.031 1.00 0.00 N ATOM 0 H LYS A 924 -7.863 -12.470 4.525 1.00 0.00 H new ATOM 0 HA LYS A 924 -8.148 -9.808 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -7.438 -11.533 6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.960 -10.611 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -8.515 -9.061 6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -7.970 -9.858 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -5.775 -8.724 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -6.286 -7.950 5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -6.516 -6.423 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -8.071 -6.749 7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -8.017 -6.834 9.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -8.653 -8.222 8.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -7.076 -8.243 9.509 1.00 0.00 H new ATOM 84 N VAL A 925 -5.323 -10.606 2.872 1.00 0.00 N ATOM 85 CA VAL A 925 -4.268 -10.106 2.008 1.00 0.00 C ATOM 86 C VAL A 925 -4.816 -9.216 0.887 1.00 0.00 C ATOM 87 O VAL A 925 -4.372 -8.077 0.739 1.00 0.00 O ATOM 88 CB VAL A 925 -3.453 -11.262 1.381 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.507 -11.870 2.407 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.371 -12.335 0.816 1.00 0.00 C ATOM 0 H VAL A 925 -5.424 -11.621 2.853 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.615 -9.507 2.643 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.864 -10.848 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -1.943 -12.681 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.817 -11.105 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -3.083 -12.260 3.247 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.771 -13.135 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -4.992 -12.740 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.008 -11.900 0.046 1.00 0.00 H new ATOM 100 N TYR A 926 -5.817 -9.688 0.132 1.00 0.00 N ATOM 101 CA TYR A 926 -6.334 -8.887 -0.968 1.00 0.00 C ATOM 102 C TYR A 926 -7.194 -7.776 -0.389 1.00 0.00 C ATOM 103 O TYR A 926 -7.243 -6.650 -0.893 1.00 0.00 O ATOM 104 CB TYR A 926 -7.167 -9.766 -1.890 1.00 0.00 C ATOM 105 CG TYR A 926 -7.915 -9.028 -2.972 1.00 0.00 C ATOM 106 CD1 TYR A 926 -7.243 -8.335 -3.970 1.00 0.00 C ATOM 107 CD2 TYR A 926 -9.301 -9.039 -2.997 1.00 0.00 C ATOM 108 CE1 TYR A 926 -7.935 -7.670 -4.963 1.00 0.00 C ATOM 109 CE2 TYR A 926 -10.001 -8.380 -3.987 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.313 -7.696 -4.968 1.00 0.00 C ATOM 111 OH TYR A 926 -10.007 -7.044 -5.964 1.00 0.00 O ATOM 0 H TYR A 926 -6.269 -10.593 0.262 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.513 -8.458 -1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.511 -10.499 -2.359 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.885 -10.321 -1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -6.163 -8.316 -3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -9.842 -9.572 -2.229 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -7.399 -7.133 -5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -11.081 -8.400 -3.994 1.00 0.00 H new ATOM 0 HH TYR A 926 -10.970 -7.161 -5.822 1.00 0.00 H new ATOM 121 N GLU A 927 -7.852 -8.133 0.702 1.00 0.00 N ATOM 122 CA GLU A 927 -8.793 -7.272 1.386 1.00 0.00 C ATOM 123 C GLU A 927 -8.128 -6.032 1.982 1.00 0.00 C ATOM 124 O GLU A 927 -8.484 -4.906 1.638 1.00 0.00 O ATOM 125 CB GLU A 927 -9.484 -8.081 2.481 1.00 0.00 C ATOM 126 CG GLU A 927 -10.464 -9.107 1.941 1.00 0.00 C ATOM 127 CD GLU A 927 -11.091 -9.944 3.034 1.00 0.00 C ATOM 128 OE1 GLU A 927 -12.030 -9.454 3.699 1.00 0.00 O ATOM 129 OE2 GLU A 927 -10.666 -11.100 3.224 1.00 0.00 O ATOM 0 H GLU A 927 -7.743 -9.047 1.142 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.519 -6.912 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -8.728 -8.590 3.079 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -10.012 -7.400 3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -11.249 -8.596 1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -9.949 -9.761 1.238 1.00 0.00 H new ATOM 136 N ASN A 928 -7.155 -6.237 2.864 1.00 0.00 N ATOM 137 CA ASN A 928 -6.592 -5.131 3.632 1.00 0.00 C ATOM 138 C ASN A 928 -5.701 -4.233 2.787 1.00 0.00 C ATOM 139 O ASN A 928 -5.578 -3.049 3.070 1.00 0.00 O ATOM 140 CB ASN A 928 -5.804 -5.628 4.835 1.00 0.00 C ATOM 141 CG ASN A 928 -5.476 -4.512 5.807 1.00 0.00 C ATOM 142 OD1 ASN A 928 -4.414 -4.501 6.413 1.00 0.00 O ATOM 143 ND2 ASN A 928 -6.404 -3.590 5.992 1.00 0.00 N ATOM 0 H ASN A 928 -6.743 -7.148 3.064 1.00 0.00 H new ATOM 0 HA ASN A 928 -7.444 -4.545 3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.378 -6.398 5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -4.879 -6.094 4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -6.247 -2.835 6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -7.278 -3.633 5.467 1.00 0.00 H new ATOM 150 N VAL A 929 -5.037 -4.783 1.784 1.00 0.00 N ATOM 151 CA VAL A 929 -4.231 -3.934 0.916 1.00 0.00 C ATOM 152 C VAL A 929 -5.120 -3.011 0.082 1.00 0.00 C ATOM 153 O VAL A 929 -4.765 -1.859 -0.172 1.00 0.00 O ATOM 154 CB VAL A 929 -3.259 -4.727 0.033 1.00 0.00 C ATOM 155 CG1 VAL A 929 -2.333 -3.774 -0.705 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.460 -5.673 0.897 1.00 0.00 C ATOM 0 H VAL A 929 -5.036 -5.777 1.553 1.00 0.00 H new ATOM 0 HA VAL A 929 -3.610 -3.319 1.568 1.00 0.00 H new ATOM 0 HB VAL A 929 -3.820 -5.302 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -1.646 -4.345 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -2.923 -3.106 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -1.765 -3.187 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.768 -6.239 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -1.899 -5.103 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.136 -6.361 1.405 1.00 0.00 H new ATOM 166 N THR A 930 -6.284 -3.500 -0.337 1.00 0.00 N ATOM 167 CA THR A 930 -7.342 -2.614 -0.824 1.00 0.00 C ATOM 168 C THR A 930 -7.700 -1.581 0.256 1.00 0.00 C ATOM 169 O THR A 930 -8.141 -0.468 -0.037 1.00 0.00 O ATOM 170 CB THR A 930 -8.592 -3.424 -1.221 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.243 -4.391 -2.222 1.00 0.00 O ATOM 172 CG2 THR A 930 -9.699 -2.518 -1.748 1.00 0.00 C ATOM 0 H THR A 930 -6.519 -4.492 -0.350 1.00 0.00 H new ATOM 0 HA THR A 930 -6.977 -2.092 -1.709 1.00 0.00 H new ATOM 0 HB THR A 930 -8.964 -3.930 -0.330 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.887 -5.195 -1.790 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.565 -3.122 -2.019 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.982 -1.803 -0.976 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.342 -1.981 -2.627 1.00 0.00 H new ATOM 180 N GLY A 931 -7.444 -1.953 1.504 1.00 0.00 N ATOM 181 CA GLY A 931 -7.657 -1.062 2.627 1.00 0.00 C ATOM 182 C GLY A 931 -6.622 0.049 2.661 1.00 0.00 C ATOM 183 O GLY A 931 -6.880 1.129 3.194 1.00 0.00 O ATOM 0 H GLY A 931 -7.086 -2.873 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.655 -0.629 2.565 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.613 -1.630 3.556 1.00 0.00 H new ATOM 187 N LEU A 932 -5.439 -0.219 2.102 1.00 0.00 N ATOM 188 CA LEU A 932 -4.425 0.816 1.936 1.00 0.00 C ATOM 189 C LEU A 932 -4.994 1.888 1.021 1.00 0.00 C ATOM 190 O LEU A 932 -4.841 3.083 1.267 1.00 0.00 O ATOM 191 CB LEU A 932 -3.129 0.221 1.348 1.00 0.00 C ATOM 192 CG LEU A 932 -1.868 1.105 1.429 1.00 0.00 C ATOM 193 CD1 LEU A 932 -0.623 0.279 1.163 1.00 0.00 C ATOM 194 CD2 LEU A 932 -1.929 2.263 0.442 1.00 0.00 C ATOM 0 H LEU A 932 -5.164 -1.140 1.760 1.00 0.00 H new ATOM 0 HA LEU A 932 -4.170 1.250 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -2.921 -0.718 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -3.309 -0.021 0.301 1.00 0.00 H new ATOM 0 HG LEU A 932 -1.825 1.516 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.258 0.918 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -0.547 -0.515 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -0.684 -0.161 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -1.023 2.863 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.010 1.873 -0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -2.798 2.883 0.662 1.00 0.00 H new ATOM 206 N VAL A 933 -5.687 1.443 -0.022 1.00 0.00 N ATOM 207 CA VAL A 933 -6.375 2.349 -0.927 1.00 0.00 C ATOM 208 C VAL A 933 -7.432 3.148 -0.163 1.00 0.00 C ATOM 209 O VAL A 933 -7.552 4.353 -0.321 1.00 0.00 O ATOM 210 CB VAL A 933 -7.047 1.590 -2.090 1.00 0.00 C ATOM 211 CG1 VAL A 933 -7.681 2.562 -3.072 1.00 0.00 C ATOM 212 CG2 VAL A 933 -6.045 0.691 -2.798 1.00 0.00 C ATOM 0 H VAL A 933 -5.786 0.456 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 933 -5.630 3.025 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 933 -7.835 0.962 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -8.149 2.005 -3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -8.435 3.158 -2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -6.914 3.221 -3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -6.541 0.166 -3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -5.231 1.297 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -5.644 -0.035 -2.090 1.00 0.00 H new ATOM 222 N LYS A 934 -8.190 2.450 0.668 1.00 0.00 N ATOM 223 CA LYS A 934 -9.190 3.085 1.524 1.00 0.00 C ATOM 224 C LYS A 934 -8.550 4.190 2.370 1.00 0.00 C ATOM 225 O LYS A 934 -9.085 5.293 2.486 1.00 0.00 O ATOM 226 CB LYS A 934 -9.857 2.062 2.452 1.00 0.00 C ATOM 227 CG LYS A 934 -10.403 0.817 1.760 1.00 0.00 C ATOM 228 CD LYS A 934 -11.492 1.128 0.740 1.00 0.00 C ATOM 229 CE LYS A 934 -10.940 1.195 -0.677 1.00 0.00 C ATOM 230 NZ LYS A 934 -12.024 1.261 -1.695 1.00 0.00 N ATOM 0 H LYS A 934 -8.134 1.437 0.771 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.950 3.518 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -9.132 1.752 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.675 2.553 2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.585 0.297 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -10.802 0.136 2.512 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -12.267 0.363 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -11.964 2.078 0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -10.297 2.070 -0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -10.318 0.320 -0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.605 1.305 -2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -12.623 0.414 -1.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -12.602 2.110 -1.532 1.00 0.00 H new ATOM 244 N ALA A 935 -7.388 3.893 2.940 1.00 0.00 N ATOM 245 CA ALA A 935 -6.698 4.842 3.803 1.00 0.00 C ATOM 246 C ALA A 935 -6.037 5.961 2.998 1.00 0.00 C ATOM 247 O ALA A 935 -5.880 7.075 3.490 1.00 0.00 O ATOM 248 CB ALA A 935 -5.678 4.126 4.671 1.00 0.00 C ATOM 0 H ALA A 935 -6.905 3.003 2.820 1.00 0.00 H new ATOM 0 HA ALA A 935 -7.443 5.304 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.172 4.850 5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -6.184 3.386 5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.946 3.628 4.036 1.00 0.00 H new ATOM 254 N VAL A 936 -5.647 5.685 1.760 1.00 0.00 N ATOM 255 CA VAL A 936 -5.116 6.743 0.915 1.00 0.00 C ATOM 256 C VAL A 936 -6.269 7.598 0.374 1.00 0.00 C ATOM 257 O VAL A 936 -6.080 8.736 -0.051 1.00 0.00 O ATOM 258 CB VAL A 936 -4.218 6.209 -0.233 1.00 0.00 C ATOM 259 CG1 VAL A 936 -5.022 5.483 -1.292 1.00 0.00 C ATOM 260 CG2 VAL A 936 -3.421 7.333 -0.867 1.00 0.00 C ATOM 0 H VAL A 936 -5.687 4.762 1.328 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.466 7.364 1.532 1.00 0.00 H new ATOM 0 HB VAL A 936 -3.528 5.493 0.213 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -4.353 5.126 -2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -5.537 4.635 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -5.755 6.165 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -2.800 6.932 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -4.104 8.078 -1.275 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.785 7.798 -0.114 1.00 0.00 H new ATOM 270 N ILE A 937 -7.481 7.043 0.426 1.00 0.00 N ATOM 271 CA ILE A 937 -8.689 7.816 0.159 1.00 0.00 C ATOM 272 C ILE A 937 -8.890 8.837 1.281 1.00 0.00 C ATOM 273 O ILE A 937 -9.496 9.892 1.088 1.00 0.00 O ATOM 274 CB ILE A 937 -9.945 6.910 0.026 1.00 0.00 C ATOM 275 CG1 ILE A 937 -9.834 6.015 -1.213 1.00 0.00 C ATOM 276 CG2 ILE A 937 -11.226 7.737 -0.037 1.00 0.00 C ATOM 277 CD1 ILE A 937 -9.690 6.781 -2.513 1.00 0.00 C ATOM 0 H ILE A 937 -7.649 6.062 0.650 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.561 8.328 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 937 -9.993 6.281 0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -8.976 5.353 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -10.719 5.382 -1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -12.084 7.072 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -11.322 8.329 0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -11.188 8.402 -0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -9.617 6.078 -3.343 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -10.560 7.422 -2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -8.789 7.394 -2.476 1.00 0.00 H new ATOM 289 N GLU A 938 -8.358 8.521 2.459 1.00 0.00 N ATOM 290 CA GLU A 938 -8.356 9.466 3.570 1.00 0.00 C ATOM 291 C GLU A 938 -7.500 10.670 3.235 1.00 0.00 C ATOM 292 O GLU A 938 -7.870 11.803 3.523 1.00 0.00 O ATOM 293 CB GLU A 938 -7.830 8.816 4.845 1.00 0.00 C ATOM 294 CG GLU A 938 -8.736 7.716 5.370 1.00 0.00 C ATOM 295 CD GLU A 938 -10.168 8.186 5.537 1.00 0.00 C ATOM 296 OE1 GLU A 938 -10.448 8.923 6.504 1.00 0.00 O ATOM 297 OE2 GLU A 938 -11.020 7.833 4.697 1.00 0.00 O ATOM 0 H GLU A 938 -7.925 7.621 2.668 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.386 9.783 3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.840 8.402 4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.713 9.580 5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.711 6.869 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.357 7.362 6.329 1.00 0.00 H new ATOM 304 N MET A 939 -6.348 10.408 2.634 1.00 0.00 N ATOM 305 CA MET A 939 -5.446 11.489 2.248 1.00 0.00 C ATOM 306 C MET A 939 -6.174 12.495 1.352 1.00 0.00 C ATOM 307 O MET A 939 -6.048 13.697 1.550 1.00 0.00 O ATOM 308 CB MET A 939 -4.167 10.961 1.567 1.00 0.00 C ATOM 309 CG MET A 939 -4.163 11.047 0.046 1.00 0.00 C ATOM 310 SD MET A 939 -2.563 10.636 -0.674 1.00 0.00 S ATOM 311 CE MET A 939 -2.954 10.733 -2.421 1.00 0.00 C ATOM 0 H MET A 939 -6.017 9.471 2.405 1.00 0.00 H new ATOM 0 HA MET A 939 -5.131 11.998 3.159 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.313 11.520 1.949 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.023 9.920 1.857 1.00 0.00 H new ATOM 0 HG2 MET A 939 -4.920 10.372 -0.353 1.00 0.00 H new ATOM 0 HG3 MET A 939 -4.444 12.056 -0.257 1.00 0.00 H new ATOM 0 HE1 MET A 939 -2.099 11.136 -2.963 1.00 0.00 H new ATOM 0 HE2 MET A 939 -3.186 9.737 -2.798 1.00 0.00 H new ATOM 0 HE3 MET A 939 -3.816 11.385 -2.565 1.00 0.00 H new ATOM 321 N SER A 940 -6.979 12.009 0.408 1.00 0.00 N ATOM 322 CA SER A 940 -7.707 12.901 -0.488 1.00 0.00 C ATOM 323 C SER A 940 -8.897 13.569 0.212 1.00 0.00 C ATOM 324 O SER A 940 -9.208 14.733 -0.048 1.00 0.00 O ATOM 325 CB SER A 940 -8.159 12.143 -1.740 1.00 0.00 C ATOM 326 OG SER A 940 -8.737 10.893 -1.408 1.00 0.00 O ATOM 0 H SER A 940 -7.141 11.015 0.246 1.00 0.00 H new ATOM 0 HA SER A 940 -7.027 13.698 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 940 -8.882 12.745 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 940 -7.306 11.987 -2.400 1.00 0.00 H new ATOM 0 HG SER A 940 -9.015 10.900 -0.468 1.00 0.00 H new ATOM 332 N SER A 941 -9.547 12.848 1.113 1.00 0.00 N ATOM 333 CA SER A 941 -10.737 13.373 1.770 1.00 0.00 C ATOM 334 C SER A 941 -10.365 14.371 2.863 1.00 0.00 C ATOM 335 O SER A 941 -10.889 15.493 2.915 1.00 0.00 O ATOM 336 CB SER A 941 -11.578 12.228 2.337 1.00 0.00 C ATOM 337 OG SER A 941 -10.777 11.308 3.059 1.00 0.00 O ATOM 0 H SER A 941 -9.276 11.909 1.404 1.00 0.00 H new ATOM 0 HA SER A 941 -11.333 13.904 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 941 -12.351 12.631 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.087 11.710 1.524 1.00 0.00 H new ATOM 0 HG SER A 941 -10.374 10.667 2.437 1.00 0.00 H new ATOM 343 N LYS A 942 -9.431 13.975 3.713 1.00 0.00 N ATOM 344 CA LYS A 942 -9.045 14.794 4.845 1.00 0.00 C ATOM 345 C LYS A 942 -8.319 16.049 4.370 1.00 0.00 C ATOM 346 O LYS A 942 -8.274 17.039 5.088 1.00 0.00 O ATOM 347 CB LYS A 942 -8.201 13.979 5.846 1.00 0.00 C ATOM 348 CG LYS A 942 -6.710 13.926 5.551 1.00 0.00 C ATOM 349 CD LYS A 942 -5.973 15.084 6.203 1.00 0.00 C ATOM 350 CE LYS A 942 -6.069 15.029 7.722 1.00 0.00 C ATOM 351 NZ LYS A 942 -5.519 13.762 8.286 1.00 0.00 N ATOM 0 H LYS A 942 -8.928 13.091 3.638 1.00 0.00 H new ATOM 0 HA LYS A 942 -9.944 15.116 5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -8.342 14.400 6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -8.585 12.959 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -6.300 12.983 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -6.550 13.952 4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -4.925 15.063 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -6.388 16.027 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -5.530 15.876 8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -7.112 15.133 8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -5.277 13.904 9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -6.231 13.008 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -4.665 13.489 7.759 1.00 0.00 H new ATOM 365 N ILE A 943 -7.753 16.009 3.158 1.00 0.00 N ATOM 366 CA ILE A 943 -7.121 17.193 2.583 1.00 0.00 C ATOM 367 C ILE A 943 -8.173 18.133 1.991 1.00 0.00 C ATOM 368 O ILE A 943 -7.920 19.329 1.831 1.00 0.00 O ATOM 369 CB ILE A 943 -6.058 16.852 1.508 1.00 0.00 C ATOM 370 CG1 ILE A 943 -5.140 18.054 1.269 1.00 0.00 C ATOM 371 CG2 ILE A 943 -6.710 16.435 0.196 1.00 0.00 C ATOM 372 CD1 ILE A 943 -4.345 18.464 2.490 1.00 0.00 C ATOM 0 H ILE A 943 -7.721 15.179 2.566 1.00 0.00 H new ATOM 0 HA ILE A 943 -6.602 17.690 3.403 1.00 0.00 H new ATOM 0 HB ILE A 943 -5.468 16.014 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -4.450 17.817 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -5.742 18.900 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -5.937 16.203 -0.537 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -7.330 15.554 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -7.330 17.250 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -3.718 19.321 2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -5.028 18.733 3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -3.716 17.634 2.810 1.00 0.00 H new ATOM 384 N GLN A 944 -9.347 17.589 1.654 1.00 0.00 N ATOM 385 CA GLN A 944 -10.455 18.412 1.167 1.00 0.00 C ATOM 386 C GLN A 944 -10.692 19.610 2.087 1.00 0.00 C ATOM 387 O GLN A 944 -10.683 20.750 1.621 1.00 0.00 O ATOM 388 CB GLN A 944 -11.750 17.603 1.022 1.00 0.00 C ATOM 389 CG GLN A 944 -11.741 16.606 -0.122 1.00 0.00 C ATOM 390 CD GLN A 944 -11.548 17.270 -1.463 1.00 0.00 C ATOM 391 OE1 GLN A 944 -12.506 17.714 -2.096 1.00 0.00 O ATOM 392 NE2 GLN A 944 -10.313 17.307 -1.922 1.00 0.00 N ATOM 0 H GLN A 944 -9.552 16.591 1.709 1.00 0.00 H new ATOM 0 HA GLN A 944 -10.170 18.772 0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -11.936 17.068 1.953 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -12.581 18.293 0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -10.944 15.880 0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -12.680 16.053 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -9.549 16.927 -1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -10.121 17.716 -2.837 1.00 0.00 H new ATOM 401 N PRO A 945 -10.905 19.398 3.404 1.00 0.00 N ATOM 402 CA PRO A 945 -11.051 20.505 4.343 1.00 0.00 C ATOM 403 C PRO A 945 -9.742 20.873 5.051 1.00 0.00 C ATOM 404 O PRO A 945 -9.762 21.355 6.185 1.00 0.00 O ATOM 405 CB PRO A 945 -12.047 19.935 5.347 1.00 0.00 C ATOM 406 CG PRO A 945 -11.739 18.473 5.403 1.00 0.00 C ATOM 407 CD PRO A 945 -11.074 18.109 4.093 1.00 0.00 C ATOM 0 HA PRO A 945 -11.362 21.427 3.851 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -11.933 20.401 6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -13.074 20.111 5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -11.082 18.249 6.244 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -12.650 17.892 5.547 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -10.116 17.616 4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.690 17.424 3.511 1.00 0.00 H new ATOM 415 N ALA A 946 -8.606 20.669 4.389 1.00 0.00 N ATOM 416 CA ALA A 946 -7.317 20.857 5.043 1.00 0.00 C ATOM 417 C ALA A 946 -6.320 21.673 4.214 1.00 0.00 C ATOM 418 O ALA A 946 -6.395 21.718 2.985 1.00 0.00 O ATOM 419 CB ALA A 946 -6.724 19.507 5.372 1.00 0.00 C ATOM 0 H ALA A 946 -8.552 20.377 3.413 1.00 0.00 H new ATOM 0 HA ALA A 946 -7.504 21.432 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -5.760 19.643 5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -7.396 18.967 6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -6.588 18.936 4.454 1.00 0.00 H new ATOM 425 N PRO A 947 -5.382 22.347 4.910 1.00 0.00 N ATOM 426 CA PRO A 947 -4.273 23.080 4.294 1.00 0.00 C ATOM 427 C PRO A 947 -3.008 22.212 4.169 1.00 0.00 C ATOM 428 O PRO A 947 -3.044 21.025 4.494 1.00 0.00 O ATOM 429 CB PRO A 947 -4.063 24.202 5.307 1.00 0.00 C ATOM 430 CG PRO A 947 -4.328 23.563 6.627 1.00 0.00 C ATOM 431 CD PRO A 947 -5.351 22.480 6.382 1.00 0.00 C ATOM 0 HA PRO A 947 -4.478 23.414 3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -3.050 24.600 5.255 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -4.743 25.034 5.125 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -3.413 23.144 7.046 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -4.701 24.294 7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -5.065 21.544 6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -6.328 22.756 6.779 1.00 0.00 H new ATOM 439 N PRO A 948 -1.864 22.783 3.706 1.00 0.00 N ATOM 440 CA PRO A 948 -0.581 22.056 3.625 1.00 0.00 C ATOM 441 C PRO A 948 -0.182 21.409 4.949 1.00 0.00 C ATOM 442 O PRO A 948 0.466 20.347 4.982 1.00 0.00 O ATOM 443 CB PRO A 948 0.438 23.136 3.227 1.00 0.00 C ATOM 444 CG PRO A 948 -0.268 24.442 3.400 1.00 0.00 C ATOM 445 CD PRO A 948 -1.727 24.155 3.192 1.00 0.00 C ATOM 0 HA PRO A 948 -0.640 21.231 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.327 23.086 3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.768 23.003 2.197 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.089 24.854 4.393 1.00 0.00 H new ATOM 0 HG3 PRO A 948 0.091 25.178 2.681 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.359 24.856 3.737 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -2.007 24.223 2.141 1.00 0.00 H new ATOM 453 N GLU A 949 -0.592 22.037 6.038 1.00 0.00 N ATOM 454 CA GLU A 949 -0.339 21.506 7.362 1.00 0.00 C ATOM 455 C GLU A 949 -0.921 20.111 7.511 1.00 0.00 C ATOM 456 O GLU A 949 -0.386 19.298 8.254 1.00 0.00 O ATOM 457 CB GLU A 949 -0.903 22.437 8.426 1.00 0.00 C ATOM 458 CG GLU A 949 -0.151 23.750 8.511 1.00 0.00 C ATOM 459 CD GLU A 949 1.345 23.539 8.616 1.00 0.00 C ATOM 460 OE1 GLU A 949 1.825 23.172 9.711 1.00 0.00 O ATOM 461 OE2 GLU A 949 2.046 23.720 7.601 1.00 0.00 O ATOM 0 H GLU A 949 -1.104 22.919 6.028 1.00 0.00 H new ATOM 0 HA GLU A 949 0.740 21.437 7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -1.952 22.637 8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -0.867 21.939 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -0.372 24.352 7.630 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -0.500 24.313 9.377 1.00 0.00 H new ATOM 468 N GLU A 950 -1.998 19.832 6.787 1.00 0.00 N ATOM 469 CA GLU A 950 -2.578 18.501 6.786 1.00 0.00 C ATOM 470 C GLU A 950 -2.196 17.735 5.527 1.00 0.00 C ATOM 471 O GLU A 950 -2.609 16.593 5.349 1.00 0.00 O ATOM 472 CB GLU A 950 -4.089 18.547 6.913 1.00 0.00 C ATOM 473 CG GLU A 950 -4.582 19.113 8.233 1.00 0.00 C ATOM 474 CD GLU A 950 -4.149 18.281 9.421 1.00 0.00 C ATOM 475 OE1 GLU A 950 -4.667 17.157 9.581 1.00 0.00 O ATOM 476 OE2 GLU A 950 -3.290 18.750 10.197 1.00 0.00 O ATOM 0 H GLU A 950 -2.483 20.508 6.197 1.00 0.00 H new ATOM 0 HA GLU A 950 -2.174 17.982 7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -4.493 19.148 6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -4.484 17.538 6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -4.208 20.130 8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -5.670 19.174 8.214 1.00 0.00 H new ATOM 483 N TYR A 951 -1.407 18.358 4.656 1.00 0.00 N ATOM 484 CA TYR A 951 -0.847 17.650 3.511 1.00 0.00 C ATOM 485 C TYR A 951 -0.012 16.491 4.016 1.00 0.00 C ATOM 486 O TYR A 951 -0.095 15.377 3.509 1.00 0.00 O ATOM 487 CB TYR A 951 0.022 18.565 2.639 1.00 0.00 C ATOM 488 CG TYR A 951 -0.640 19.024 1.359 1.00 0.00 C ATOM 489 CD1 TYR A 951 -1.413 20.175 1.326 1.00 0.00 C ATOM 490 CD2 TYR A 951 -0.471 18.317 0.176 1.00 0.00 C ATOM 491 CE1 TYR A 951 -2.005 20.606 0.157 1.00 0.00 C ATOM 492 CE2 TYR A 951 -1.056 18.741 -0.999 1.00 0.00 C ATOM 493 CZ TYR A 951 -1.822 19.888 -1.003 1.00 0.00 C ATOM 494 OH TYR A 951 -2.402 20.324 -2.173 1.00 0.00 O ATOM 0 H TYR A 951 -1.144 19.341 4.720 1.00 0.00 H new ATOM 0 HA TYR A 951 -1.671 17.294 2.893 1.00 0.00 H new ATOM 0 HB2 TYR A 951 0.304 19.442 3.222 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.943 18.039 2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -1.554 20.745 2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.129 17.419 0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -2.609 21.502 0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.915 18.178 -1.910 1.00 0.00 H new ATOM 0 HH TYR A 951 -2.478 21.301 -2.156 1.00 0.00 H new ATOM 504 N VAL A 952 0.789 16.746 5.038 1.00 0.00 N ATOM 505 CA VAL A 952 1.560 15.658 5.632 1.00 0.00 C ATOM 506 C VAL A 952 0.685 14.721 6.502 1.00 0.00 C ATOM 507 O VAL A 952 0.760 13.512 6.341 1.00 0.00 O ATOM 508 CB VAL A 952 2.852 16.138 6.362 1.00 0.00 C ATOM 509 CG1 VAL A 952 2.663 17.477 7.063 1.00 0.00 C ATOM 510 CG2 VAL A 952 3.351 15.089 7.347 1.00 0.00 C ATOM 0 H VAL A 952 0.923 17.663 5.464 1.00 0.00 H new ATOM 0 HA VAL A 952 1.915 15.056 4.796 1.00 0.00 H new ATOM 0 HB VAL A 952 3.608 16.280 5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 952 3.592 17.764 7.555 1.00 0.00 H new ATOM 0 HG12 VAL A 952 2.391 18.236 6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 952 1.871 17.390 7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 952 4.253 15.453 7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 952 2.581 14.896 8.094 1.00 0.00 H new ATOM 0 HG23 VAL A 952 3.577 14.166 6.813 1.00 0.00 H new ATOM 520 N PRO A 953 -0.169 15.219 7.421 1.00 0.00 N ATOM 521 CA PRO A 953 -1.119 14.354 8.145 1.00 0.00 C ATOM 522 C PRO A 953 -2.043 13.531 7.246 1.00 0.00 C ATOM 523 O PRO A 953 -2.584 12.523 7.685 1.00 0.00 O ATOM 524 CB PRO A 953 -1.960 15.330 8.935 1.00 0.00 C ATOM 525 CG PRO A 953 -1.053 16.480 9.161 1.00 0.00 C ATOM 526 CD PRO A 953 -0.229 16.589 7.911 1.00 0.00 C ATOM 0 HA PRO A 953 -0.572 13.618 8.734 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -2.852 15.627 8.383 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -2.297 14.896 9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -1.617 17.395 9.341 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -0.422 16.317 10.035 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -0.691 17.256 7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 953 0.765 16.984 8.119 1.00 0.00 H new ATOM 534 N MET A 954 -2.279 13.961 6.013 1.00 0.00 N ATOM 535 CA MET A 954 -3.104 13.159 5.123 1.00 0.00 C ATOM 536 C MET A 954 -2.310 11.940 4.670 1.00 0.00 C ATOM 537 O MET A 954 -2.848 10.842 4.518 1.00 0.00 O ATOM 538 CB MET A 954 -3.619 13.959 3.915 1.00 0.00 C ATOM 539 CG MET A 954 -2.590 14.216 2.830 1.00 0.00 C ATOM 540 SD MET A 954 -3.296 15.013 1.378 1.00 0.00 S ATOM 541 CE MET A 954 -1.867 15.103 0.305 1.00 0.00 C ATOM 0 H MET A 954 -1.924 14.831 5.617 1.00 0.00 H new ATOM 0 HA MET A 954 -3.988 12.840 5.676 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.461 13.424 3.476 1.00 0.00 H new ATOM 0 HB3 MET A 954 -3.999 14.917 4.268 1.00 0.00 H new ATOM 0 HG2 MET A 954 -1.793 14.842 3.232 1.00 0.00 H new ATOM 0 HG3 MET A 954 -2.135 13.270 2.535 1.00 0.00 H new ATOM 0 HE1 MET A 954 -2.074 15.784 -0.521 1.00 0.00 H new ATOM 0 HE2 MET A 954 -1.010 15.468 0.871 1.00 0.00 H new ATOM 0 HE3 MET A 954 -1.645 14.111 -0.090 1.00 0.00 H new ATOM 551 N VAL A 955 -1.014 12.134 4.464 1.00 0.00 N ATOM 552 CA VAL A 955 -0.142 11.008 4.184 1.00 0.00 C ATOM 553 C VAL A 955 -0.045 10.107 5.404 1.00 0.00 C ATOM 554 O VAL A 955 0.213 8.918 5.283 1.00 0.00 O ATOM 555 CB VAL A 955 1.275 11.416 3.717 1.00 0.00 C ATOM 556 CG1 VAL A 955 2.239 11.561 4.881 1.00 0.00 C ATOM 557 CG2 VAL A 955 1.793 10.401 2.716 1.00 0.00 C ATOM 0 H VAL A 955 -0.553 13.043 4.485 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.597 10.472 3.351 1.00 0.00 H new ATOM 0 HB VAL A 955 1.205 12.394 3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 955 3.221 11.848 4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 955 1.872 12.328 5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 955 2.316 10.611 5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 955 2.791 10.690 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 955 1.835 9.417 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 955 1.125 10.365 1.856 1.00 0.00 H new ATOM 567 N LYS A 956 -0.232 10.686 6.586 1.00 0.00 N ATOM 568 CA LYS A 956 -0.259 9.892 7.807 1.00 0.00 C ATOM 569 C LYS A 956 -1.310 8.794 7.674 1.00 0.00 C ATOM 570 O LYS A 956 -1.087 7.655 8.081 1.00 0.00 O ATOM 571 CB LYS A 956 -0.570 10.766 9.020 1.00 0.00 C ATOM 572 CG LYS A 956 -0.473 10.026 10.341 1.00 0.00 C ATOM 573 CD LYS A 956 -0.989 10.875 11.488 1.00 0.00 C ATOM 574 CE LYS A 956 -0.853 10.154 12.818 1.00 0.00 C ATOM 575 NZ LYS A 956 -1.480 10.921 13.923 1.00 0.00 N ATOM 0 H LYS A 956 -0.365 11.688 6.723 1.00 0.00 H new ATOM 0 HA LYS A 956 0.724 9.445 7.954 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.118 11.611 9.035 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.575 11.175 8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -1.046 9.100 10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 956 0.564 9.748 10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -0.437 11.814 11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -2.035 11.126 11.314 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -1.317 9.170 12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 956 0.202 9.993 13.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -1.368 10.399 14.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -1.020 11.850 14.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -2.492 11.052 13.724 1.00 0.00 H new ATOM 589 N GLU A 957 -2.462 9.160 7.114 1.00 0.00 N ATOM 590 CA GLU A 957 -3.500 8.189 6.786 1.00 0.00 C ATOM 591 C GLU A 957 -2.949 7.050 5.910 1.00 0.00 C ATOM 592 O GLU A 957 -3.174 5.874 6.208 1.00 0.00 O ATOM 593 CB GLU A 957 -4.661 8.884 6.056 1.00 0.00 C ATOM 594 CG GLU A 957 -5.059 10.233 6.647 1.00 0.00 C ATOM 595 CD GLU A 957 -5.526 10.152 8.086 1.00 0.00 C ATOM 596 OE1 GLU A 957 -6.728 9.912 8.313 1.00 0.00 O ATOM 597 OE2 GLU A 957 -4.700 10.363 8.992 1.00 0.00 O ATOM 0 H GLU A 957 -2.699 10.124 6.878 1.00 0.00 H new ATOM 0 HA GLU A 957 -3.859 7.758 7.721 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.384 9.026 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.529 8.225 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.208 10.911 6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -5.854 10.666 6.040 1.00 0.00 H new ATOM 604 N VAL A 958 -2.201 7.381 4.854 1.00 0.00 N ATOM 605 CA VAL A 958 -1.586 6.338 4.024 1.00 0.00 C ATOM 606 C VAL A 958 -0.489 5.613 4.811 1.00 0.00 C ATOM 607 O VAL A 958 -0.152 4.467 4.520 1.00 0.00 O ATOM 608 CB VAL A 958 -1.014 6.881 2.682 1.00 0.00 C ATOM 609 CG1 VAL A 958 -1.837 8.052 2.179 1.00 0.00 C ATOM 610 CG2 VAL A 958 0.448 7.272 2.801 1.00 0.00 C ATOM 0 H VAL A 958 -2.009 8.338 4.557 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.380 5.637 3.765 1.00 0.00 H new ATOM 0 HB VAL A 958 -1.077 6.070 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -1.418 8.414 1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -2.866 7.731 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -1.819 8.853 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 958 0.804 7.645 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 958 0.556 8.051 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 958 1.035 6.401 3.092 1.00 0.00 H new ATOM 620 N GLY A 959 0.056 6.281 5.819 1.00 0.00 N ATOM 621 CA GLY A 959 1.008 5.642 6.704 1.00 0.00 C ATOM 622 C GLY A 959 0.346 4.545 7.511 1.00 0.00 C ATOM 623 O GLY A 959 0.882 3.446 7.647 1.00 0.00 O ATOM 0 H GLY A 959 -0.145 7.256 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 959 1.829 5.225 6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.439 6.383 7.376 1.00 0.00 H new ATOM 627 N LEU A 960 -0.856 4.836 8.005 1.00 0.00 N ATOM 628 CA LEU A 960 -1.675 3.853 8.706 1.00 0.00 C ATOM 629 C LEU A 960 -2.196 2.802 7.729 1.00 0.00 C ATOM 630 O LEU A 960 -2.727 1.764 8.129 1.00 0.00 O ATOM 631 CB LEU A 960 -2.849 4.540 9.408 1.00 0.00 C ATOM 632 CG LEU A 960 -2.467 5.634 10.407 1.00 0.00 C ATOM 633 CD1 LEU A 960 -3.713 6.277 10.992 1.00 0.00 C ATOM 634 CD2 LEU A 960 -1.592 5.065 11.514 1.00 0.00 C ATOM 0 H LEU A 960 -1.287 5.757 7.930 1.00 0.00 H new ATOM 0 HA LEU A 960 -1.055 3.361 9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -3.500 4.975 8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -3.432 3.782 9.931 1.00 0.00 H new ATOM 0 HG LEU A 960 -1.898 6.399 9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -3.423 7.053 11.701 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -4.304 6.720 10.191 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -4.306 5.520 11.505 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -1.330 5.858 12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -2.135 4.280 12.040 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -0.682 4.649 11.081 1.00 0.00 H new ATOM 646 N ALA A 961 -2.006 3.078 6.448 1.00 0.00 N ATOM 647 CA ALA A 961 -2.460 2.182 5.401 1.00 0.00 C ATOM 648 C ALA A 961 -1.489 1.018 5.257 1.00 0.00 C ATOM 649 O ALA A 961 -1.884 -0.139 5.381 1.00 0.00 O ATOM 650 CB ALA A 961 -2.621 2.923 4.088 1.00 0.00 C ATOM 0 H ALA A 961 -1.539 3.919 6.110 1.00 0.00 H new ATOM 0 HA ALA A 961 -3.437 1.786 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -2.962 2.230 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.353 3.721 4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -1.663 3.351 3.792 1.00 0.00 H new ATOM 656 N LEU A 962 -0.208 1.321 5.018 1.00 0.00 N ATOM 657 CA LEU A 962 0.817 0.282 4.982 1.00 0.00 C ATOM 658 C LEU A 962 1.017 -0.348 6.360 1.00 0.00 C ATOM 659 O LEU A 962 1.387 -1.514 6.464 1.00 0.00 O ATOM 660 CB LEU A 962 2.132 0.847 4.433 1.00 0.00 C ATOM 661 CG LEU A 962 3.399 0.004 4.655 1.00 0.00 C ATOM 662 CD1 LEU A 962 4.408 0.280 3.558 1.00 0.00 C ATOM 663 CD2 LEU A 962 4.033 0.313 6.008 1.00 0.00 C ATOM 0 H LEU A 962 0.137 2.266 4.849 1.00 0.00 H new ATOM 0 HA LEU A 962 0.478 -0.507 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 962 2.012 1.003 3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.294 1.827 4.882 1.00 0.00 H new ATOM 0 HG LEU A 962 3.109 -1.047 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 962 5.301 -0.322 3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 962 3.974 0.024 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 962 4.676 1.337 3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 962 4.927 -0.297 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 962 4.304 1.368 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 962 3.322 0.089 6.803 1.00 0.00 H new ATOM 675 N ARG A 963 0.772 0.418 7.417 1.00 0.00 N ATOM 676 CA ARG A 963 0.884 -0.116 8.776 1.00 0.00 C ATOM 677 C ARG A 963 -0.068 -1.292 8.984 1.00 0.00 C ATOM 678 O ARG A 963 0.367 -2.408 9.279 1.00 0.00 O ATOM 679 CB ARG A 963 0.615 0.969 9.819 1.00 0.00 C ATOM 680 CG ARG A 963 1.809 1.872 10.080 1.00 0.00 C ATOM 681 CD ARG A 963 1.517 2.869 11.187 1.00 0.00 C ATOM 682 NE ARG A 963 2.721 3.580 11.613 1.00 0.00 N ATOM 683 CZ ARG A 963 3.315 3.394 12.792 1.00 0.00 C ATOM 684 NH1 ARG A 963 2.816 2.513 13.654 1.00 0.00 N ATOM 685 NH2 ARG A 963 4.411 4.075 13.100 1.00 0.00 N ATOM 0 H ARG A 963 0.498 1.399 7.365 1.00 0.00 H new ATOM 0 HA ARG A 963 1.906 -0.471 8.904 1.00 0.00 H new ATOM 0 HB2 ARG A 963 -0.226 1.579 9.488 1.00 0.00 H new ATOM 0 HB3 ARG A 963 0.317 0.496 10.755 1.00 0.00 H new ATOM 0 HG2 ARG A 963 2.673 1.266 10.353 1.00 0.00 H new ATOM 0 HG3 ARG A 963 2.070 2.406 9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 963 0.774 3.588 10.841 1.00 0.00 H new ATOM 0 HD3 ARG A 963 1.083 2.347 12.040 1.00 0.00 H new ATOM 0 HE ARG A 963 3.131 4.258 10.971 1.00 0.00 H new ATOM 0 HH11 ARG A 963 1.980 1.981 13.413 1.00 0.00 H new ATOM 0 HH12 ARG A 963 3.269 2.369 14.556 1.00 0.00 H new ATOM 0 HH21 ARG A 963 4.801 4.742 12.434 1.00 0.00 H new ATOM 0 HH22 ARG A 963 4.864 3.931 14.003 1.00 0.00 H new ATOM 699 N THR A 964 -1.368 -1.036 8.849 1.00 0.00 N ATOM 700 CA THR A 964 -2.369 -2.098 8.904 1.00 0.00 C ATOM 701 C THR A 964 -2.074 -3.183 7.864 1.00 0.00 C ATOM 702 O THR A 964 -2.323 -4.367 8.093 1.00 0.00 O ATOM 703 CB THR A 964 -3.782 -1.525 8.663 1.00 0.00 C ATOM 704 OG1 THR A 964 -3.947 -0.305 9.403 1.00 0.00 O ATOM 705 CG2 THR A 964 -4.855 -2.515 9.088 1.00 0.00 C ATOM 0 H THR A 964 -1.752 -0.103 8.701 1.00 0.00 H new ATOM 0 HA THR A 964 -2.326 -2.542 9.898 1.00 0.00 H new ATOM 0 HB THR A 964 -3.888 -1.331 7.596 1.00 0.00 H new ATOM 0 HG1 THR A 964 -3.613 0.448 8.872 1.00 0.00 H new ATOM 0 HG21 THR A 964 -5.840 -2.084 8.907 1.00 0.00 H new ATOM 0 HG22 THR A 964 -4.750 -3.435 8.513 1.00 0.00 H new ATOM 0 HG23 THR A 964 -4.746 -2.736 10.150 1.00 0.00 H new ATOM 713 N LEU A 965 -1.472 -2.768 6.756 1.00 0.00 N ATOM 714 CA LEU A 965 -1.147 -3.674 5.664 1.00 0.00 C ATOM 715 C LEU A 965 -0.073 -4.663 6.111 1.00 0.00 C ATOM 716 O LEU A 965 -0.128 -5.844 5.786 1.00 0.00 O ATOM 717 CB LEU A 965 -0.695 -2.865 4.437 1.00 0.00 C ATOM 718 CG LEU A 965 0.033 -3.638 3.335 1.00 0.00 C ATOM 719 CD1 LEU A 965 -0.263 -3.021 1.985 1.00 0.00 C ATOM 720 CD2 LEU A 965 1.534 -3.629 3.575 1.00 0.00 C ATOM 0 H LEU A 965 -1.197 -1.800 6.591 1.00 0.00 H new ATOM 0 HA LEU A 965 -2.031 -4.246 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -1.574 -2.393 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -0.041 -2.064 4.780 1.00 0.00 H new ATOM 0 HG LEU A 965 -0.322 -4.669 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 965 0.260 -3.578 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -1.336 -3.055 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 965 0.074 -1.984 1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 965 2.033 -4.184 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 965 1.895 -2.601 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 965 1.752 -4.096 4.536 1.00 0.00 H new ATOM 732 N LEU A 966 0.910 -4.151 6.844 1.00 0.00 N ATOM 733 CA LEU A 966 1.954 -4.973 7.451 1.00 0.00 C ATOM 734 C LEU A 966 1.357 -6.107 8.282 1.00 0.00 C ATOM 735 O LEU A 966 1.910 -7.206 8.321 1.00 0.00 O ATOM 736 CB LEU A 966 2.881 -4.091 8.304 1.00 0.00 C ATOM 737 CG LEU A 966 4.093 -4.789 8.939 1.00 0.00 C ATOM 738 CD1 LEU A 966 5.245 -3.807 9.086 1.00 0.00 C ATOM 739 CD2 LEU A 966 3.734 -5.367 10.304 1.00 0.00 C ATOM 0 H LEU A 966 1.007 -3.154 7.035 1.00 0.00 H new ATOM 0 HA LEU A 966 2.540 -5.432 6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 966 3.245 -3.274 7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 966 2.288 -3.643 9.101 1.00 0.00 H new ATOM 0 HG LEU A 966 4.395 -5.606 8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 966 6.099 -4.313 9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 966 5.526 -3.426 8.104 1.00 0.00 H new ATOM 0 HD13 LEU A 966 4.937 -2.977 9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 966 4.608 -5.856 10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 966 3.406 -4.564 10.964 1.00 0.00 H new ATOM 0 HD23 LEU A 966 2.930 -6.095 10.191 1.00 0.00 H new ATOM 751 N ALA A 967 0.232 -5.848 8.940 1.00 0.00 N ATOM 752 CA ALA A 967 -0.466 -6.899 9.679 1.00 0.00 C ATOM 753 C ALA A 967 -0.892 -8.016 8.726 1.00 0.00 C ATOM 754 O ALA A 967 -0.656 -9.200 8.984 1.00 0.00 O ATOM 755 CB ALA A 967 -1.670 -6.335 10.419 1.00 0.00 C ATOM 0 H ALA A 967 -0.214 -4.931 8.978 1.00 0.00 H new ATOM 0 HA ALA A 967 0.218 -7.313 10.420 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -2.172 -7.136 10.961 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -1.339 -5.572 11.124 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -2.362 -5.892 9.703 1.00 0.00 H new ATOM 761 N THR A 968 -1.526 -7.631 7.627 1.00 0.00 N ATOM 762 CA THR A 968 -1.833 -8.555 6.545 1.00 0.00 C ATOM 763 C THR A 968 -0.566 -9.215 5.983 1.00 0.00 C ATOM 764 O THR A 968 -0.556 -10.416 5.708 1.00 0.00 O ATOM 765 CB THR A 968 -2.597 -7.831 5.425 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.969 -7.707 5.786 1.00 0.00 O ATOM 767 CG2 THR A 968 -2.486 -8.566 4.113 1.00 0.00 C ATOM 0 H THR A 968 -1.840 -6.675 7.461 1.00 0.00 H new ATOM 0 HA THR A 968 -2.463 -9.344 6.955 1.00 0.00 H new ATOM 0 HB THR A 968 -2.152 -6.844 5.298 1.00 0.00 H new ATOM 0 HG1 THR A 968 -4.530 -8.073 5.071 1.00 0.00 H new ATOM 0 HG21 THR A 968 -3.038 -8.025 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 968 -1.438 -8.637 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.902 -9.568 4.221 1.00 0.00 H new ATOM 775 N VAL A 969 0.488 -8.430 5.798 1.00 0.00 N ATOM 776 CA VAL A 969 1.785 -8.965 5.390 1.00 0.00 C ATOM 777 C VAL A 969 2.251 -10.065 6.340 1.00 0.00 C ATOM 778 O VAL A 969 2.925 -10.997 5.925 1.00 0.00 O ATOM 779 CB VAL A 969 2.853 -7.847 5.312 1.00 0.00 C ATOM 780 CG1 VAL A 969 4.251 -8.416 5.120 1.00 0.00 C ATOM 781 CG2 VAL A 969 2.521 -6.884 4.185 1.00 0.00 C ATOM 0 H VAL A 969 0.472 -7.418 5.924 1.00 0.00 H new ATOM 0 HA VAL A 969 1.659 -9.394 4.396 1.00 0.00 H new ATOM 0 HB VAL A 969 2.841 -7.311 6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 969 4.972 -7.600 5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 969 4.497 -9.067 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 969 4.287 -8.989 4.193 1.00 0.00 H new ATOM 0 HG21 VAL A 969 3.279 -6.102 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 969 2.500 -7.425 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 969 1.545 -6.434 4.367 1.00 0.00 H new ATOM 791 N ASP A 970 1.869 -9.965 7.602 1.00 0.00 N ATOM 792 CA ASP A 970 2.217 -10.984 8.588 1.00 0.00 C ATOM 793 C ASP A 970 1.438 -12.269 8.362 1.00 0.00 C ATOM 794 O ASP A 970 1.903 -13.334 8.727 1.00 0.00 O ATOM 795 CB ASP A 970 1.995 -10.446 10.005 1.00 0.00 C ATOM 796 CG ASP A 970 2.274 -11.471 11.087 1.00 0.00 C ATOM 797 OD1 ASP A 970 3.444 -11.612 11.500 1.00 0.00 O ATOM 798 OD2 ASP A 970 1.317 -12.117 11.560 1.00 0.00 O ATOM 0 H ASP A 970 1.318 -9.190 7.972 1.00 0.00 H new ATOM 0 HA ASP A 970 3.274 -11.224 8.469 1.00 0.00 H new ATOM 0 HB2 ASP A 970 2.637 -9.579 10.162 1.00 0.00 H new ATOM 0 HB3 ASP A 970 0.965 -10.101 10.098 1.00 0.00 H new ATOM 803 N GLU A 971 0.269 -12.178 7.756 1.00 0.00 N ATOM 804 CA GLU A 971 -0.434 -13.374 7.299 1.00 0.00 C ATOM 805 C GLU A 971 0.335 -13.983 6.134 1.00 0.00 C ATOM 806 O GLU A 971 0.571 -15.196 6.057 1.00 0.00 O ATOM 807 CB GLU A 971 -1.847 -13.022 6.847 1.00 0.00 C ATOM 808 CG GLU A 971 -2.645 -12.276 7.895 1.00 0.00 C ATOM 809 CD GLU A 971 -2.961 -13.137 9.100 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.688 -14.142 8.949 1.00 0.00 O ATOM 811 OE2 GLU A 971 -2.466 -12.829 10.201 1.00 0.00 O ATOM 0 H GLU A 971 -0.215 -11.300 7.568 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.499 -14.087 8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.791 -12.415 5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -2.375 -13.938 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -2.086 -11.397 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -3.575 -11.918 7.453 1.00 0.00 H new ATOM 818 N SER A 972 0.743 -13.115 5.231 1.00 0.00 N ATOM 819 CA SER A 972 1.519 -13.503 4.082 1.00 0.00 C ATOM 820 C SER A 972 2.902 -14.006 4.503 1.00 0.00 C ATOM 821 O SER A 972 3.544 -14.749 3.769 1.00 0.00 O ATOM 822 CB SER A 972 1.614 -12.316 3.129 1.00 0.00 C ATOM 823 OG SER A 972 2.296 -12.660 1.943 1.00 0.00 O ATOM 0 H SER A 972 0.542 -12.116 5.278 1.00 0.00 H new ATOM 0 HA SER A 972 1.029 -14.329 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.612 -11.963 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 972 2.131 -11.493 3.622 1.00 0.00 H new ATOM 0 HG SER A 972 2.869 -11.914 1.667 1.00 0.00 H new ATOM 829 N LEU A 973 3.365 -13.565 5.668 1.00 0.00 N ATOM 830 CA LEU A 973 4.691 -13.915 6.167 1.00 0.00 C ATOM 831 C LEU A 973 4.843 -15.430 6.355 1.00 0.00 C ATOM 832 O LEU A 973 5.802 -15.979 5.852 1.00 0.00 O ATOM 833 CB LEU A 973 5.000 -13.151 7.468 1.00 0.00 C ATOM 834 CG LEU A 973 6.485 -12.874 7.760 1.00 0.00 C ATOM 835 CD1 LEU A 973 7.248 -14.161 8.043 1.00 0.00 C ATOM 836 CD2 LEU A 973 7.120 -12.119 6.601 1.00 0.00 C ATOM 0 H LEU A 973 2.834 -12.957 6.291 1.00 0.00 H new ATOM 0 HA LEU A 973 5.422 -13.613 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 973 4.474 -12.197 7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 973 4.587 -13.717 8.303 1.00 0.00 H new ATOM 0 HG LEU A 973 6.540 -12.255 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 973 8.293 -13.927 8.245 1.00 0.00 H new ATOM 0 HD12 LEU A 973 6.813 -14.659 8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 973 7.184 -14.820 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 973 8.171 -11.930 6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 973 7.042 -12.715 5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 973 6.603 -11.170 6.458 1.00 0.00 H new ATOM 848 N PRO A 974 3.954 -16.151 7.088 1.00 0.00 N ATOM 849 CA PRO A 974 3.999 -17.617 7.095 1.00 0.00 C ATOM 850 C PRO A 974 3.833 -18.185 5.689 1.00 0.00 C ATOM 851 O PRO A 974 4.338 -19.270 5.371 1.00 0.00 O ATOM 852 CB PRO A 974 2.831 -18.042 7.993 1.00 0.00 C ATOM 853 CG PRO A 974 2.003 -16.820 8.164 1.00 0.00 C ATOM 854 CD PRO A 974 2.932 -15.653 7.997 1.00 0.00 C ATOM 0 HA PRO A 974 4.957 -17.989 7.457 1.00 0.00 H new ATOM 0 HB2 PRO A 974 2.255 -18.846 7.535 1.00 0.00 H new ATOM 0 HB3 PRO A 974 3.188 -18.413 8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 974 1.202 -16.787 7.426 1.00 0.00 H new ATOM 0 HG3 PRO A 974 1.532 -16.804 9.147 1.00 0.00 H new ATOM 0 HD2 PRO A 974 2.416 -14.787 7.583 1.00 0.00 H new ATOM 0 HD3 PRO A 974 3.361 -15.343 8.950 1.00 0.00 H new ATOM 862 N VAL A 975 3.155 -17.435 4.823 1.00 0.00 N ATOM 863 CA VAL A 975 3.042 -17.870 3.427 1.00 0.00 C ATOM 864 C VAL A 975 4.357 -17.621 2.678 1.00 0.00 C ATOM 865 O VAL A 975 4.591 -18.179 1.609 1.00 0.00 O ATOM 866 CB VAL A 975 1.881 -17.195 2.682 1.00 0.00 C ATOM 867 CG1 VAL A 975 1.453 -18.066 1.517 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.707 -16.943 3.607 1.00 0.00 C ATOM 0 H VAL A 975 2.690 -16.555 5.047 1.00 0.00 H new ATOM 0 HA VAL A 975 2.830 -18.939 3.453 1.00 0.00 H new ATOM 0 HB VAL A 975 2.224 -16.230 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 975 0.629 -17.587 0.988 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.293 -18.200 0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 975 1.129 -19.038 1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -0.099 -16.464 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.354 -17.891 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 975 1.020 -16.292 4.423 1.00 0.00 H new ATOM 878 N LEU A 976 5.216 -16.795 3.265 1.00 0.00 N ATOM 879 CA LEU A 976 6.535 -16.499 2.707 1.00 0.00 C ATOM 880 C LEU A 976 7.432 -17.747 2.676 1.00 0.00 C ATOM 881 O LEU A 976 7.958 -18.073 1.611 1.00 0.00 O ATOM 882 CB LEU A 976 7.177 -15.304 3.455 1.00 0.00 C ATOM 883 CG LEU A 976 8.689 -15.091 3.302 1.00 0.00 C ATOM 884 CD1 LEU A 976 9.029 -13.617 3.466 1.00 0.00 C ATOM 885 CD2 LEU A 976 9.474 -15.898 4.325 1.00 0.00 C ATOM 0 H LEU A 976 5.020 -16.311 4.141 1.00 0.00 H new ATOM 0 HA LEU A 976 6.417 -16.199 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 976 6.676 -14.394 3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 976 6.961 -15.419 4.517 1.00 0.00 H new ATOM 0 HG LEU A 976 8.968 -15.430 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 976 10.104 -13.477 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 976 8.508 -13.036 2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 976 8.719 -13.280 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 976 10.541 -15.722 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 976 9.184 -15.592 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 976 9.261 -16.959 4.193 1.00 0.00 H new ATOM 897 N PRO A 977 7.624 -18.486 3.803 1.00 0.00 N ATOM 898 CA PRO A 977 8.386 -19.738 3.775 1.00 0.00 C ATOM 899 C PRO A 977 7.711 -20.768 2.889 1.00 0.00 C ATOM 900 O PRO A 977 8.373 -21.617 2.290 1.00 0.00 O ATOM 901 CB PRO A 977 8.395 -20.214 5.231 1.00 0.00 C ATOM 902 CG PRO A 977 8.061 -19.011 6.030 1.00 0.00 C ATOM 903 CD PRO A 977 7.161 -18.188 5.162 1.00 0.00 C ATOM 0 HA PRO A 977 9.389 -19.596 3.372 1.00 0.00 H new ATOM 0 HB2 PRO A 977 7.666 -21.009 5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 977 9.370 -20.615 5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 977 7.565 -19.284 6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 977 8.960 -18.457 6.299 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.114 -18.461 5.298 1.00 0.00 H new ATOM 0 HD3 PRO A 977 7.246 -17.126 5.390 1.00 0.00 H new ATOM 911 N ALA A 978 6.386 -20.687 2.813 1.00 0.00 N ATOM 912 CA ALA A 978 5.629 -21.550 1.923 1.00 0.00 C ATOM 913 C ALA A 978 5.992 -21.290 0.461 1.00 0.00 C ATOM 914 O ALA A 978 6.430 -22.200 -0.244 1.00 0.00 O ATOM 915 CB ALA A 978 4.134 -21.360 2.141 1.00 0.00 C ATOM 0 H ALA A 978 5.820 -20.035 3.356 1.00 0.00 H new ATOM 0 HA ALA A 978 5.888 -22.583 2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 978 3.582 -22.014 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 978 3.882 -21.607 3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.866 -20.323 1.941 1.00 0.00 H new ATOM 921 N SER A 979 5.832 -20.046 0.010 1.00 0.00 N ATOM 922 CA SER A 979 6.041 -19.708 -1.399 1.00 0.00 C ATOM 923 C SER A 979 6.152 -18.191 -1.622 1.00 0.00 C ATOM 924 O SER A 979 6.925 -17.723 -2.460 1.00 0.00 O ATOM 925 CB SER A 979 4.882 -20.275 -2.229 1.00 0.00 C ATOM 926 OG SER A 979 5.018 -21.676 -2.416 1.00 0.00 O ATOM 0 H SER A 979 5.559 -19.258 0.597 1.00 0.00 H new ATOM 0 HA SER A 979 6.986 -20.150 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.937 -20.063 -1.730 1.00 0.00 H new ATOM 0 HB3 SER A 979 4.849 -19.778 -3.199 1.00 0.00 H new ATOM 0 HG SER A 979 5.784 -22.002 -1.899 1.00 0.00 H new ATOM 932 N THR A 980 5.377 -17.436 -0.862 1.00 0.00 N ATOM 933 CA THR A 980 5.252 -15.984 -1.028 1.00 0.00 C ATOM 934 C THR A 980 6.570 -15.196 -0.958 1.00 0.00 C ATOM 935 O THR A 980 6.635 -14.103 -1.515 1.00 0.00 O ATOM 936 CB THR A 980 4.292 -15.421 0.025 1.00 0.00 C ATOM 937 OG1 THR A 980 3.036 -16.084 -0.088 1.00 0.00 O ATOM 938 CG2 THR A 980 4.098 -13.926 -0.147 1.00 0.00 C ATOM 0 H THR A 980 4.808 -17.810 -0.103 1.00 0.00 H new ATOM 0 HA THR A 980 4.873 -15.852 -2.042 1.00 0.00 H new ATOM 0 HB THR A 980 4.721 -15.592 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 980 3.155 -16.932 -0.565 1.00 0.00 H new ATOM 0 HG21 THR A 980 3.412 -13.558 0.616 1.00 0.00 H new ATOM 0 HG22 THR A 980 5.058 -13.420 -0.045 1.00 0.00 H new ATOM 0 HG23 THR A 980 3.685 -13.724 -1.135 1.00 0.00 H new ATOM 946 N HIS A 981 7.615 -15.735 -0.325 1.00 0.00 N ATOM 947 CA HIS A 981 8.848 -14.955 -0.096 1.00 0.00 C ATOM 948 C HIS A 981 9.377 -14.296 -1.369 1.00 0.00 C ATOM 949 O HIS A 981 9.997 -13.245 -1.297 1.00 0.00 O ATOM 950 CB HIS A 981 9.956 -15.814 0.548 1.00 0.00 C ATOM 951 CG HIS A 981 10.465 -16.969 -0.269 1.00 0.00 C ATOM 952 ND1 HIS A 981 10.024 -18.263 -0.098 1.00 0.00 N ATOM 953 CD2 HIS A 981 11.422 -17.024 -1.223 1.00 0.00 C ATOM 954 CE1 HIS A 981 10.689 -19.062 -0.912 1.00 0.00 C ATOM 955 NE2 HIS A 981 11.546 -18.336 -1.605 1.00 0.00 N ATOM 0 H HIS A 981 7.640 -16.689 0.034 1.00 0.00 H new ATOM 0 HA HIS A 981 8.569 -14.161 0.597 1.00 0.00 H new ATOM 0 HB2 HIS A 981 10.799 -15.164 0.784 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.580 -16.204 1.494 1.00 0.00 H new ATOM 0 HD1 HIS A 981 9.298 -18.557 0.555 1.00 0.00 H new ATOM 0 HD2 HIS A 981 11.985 -16.189 -1.613 1.00 0.00 H new ATOM 0 HE1 HIS A 981 10.554 -20.130 -0.997 1.00 0.00 H new ATOM 964 N ARG A 982 9.140 -14.906 -2.518 1.00 0.00 N ATOM 965 CA ARG A 982 9.503 -14.255 -3.780 1.00 0.00 C ATOM 966 C ARG A 982 8.732 -12.942 -3.979 1.00 0.00 C ATOM 967 O ARG A 982 9.326 -11.870 -4.137 1.00 0.00 O ATOM 968 CB ARG A 982 9.223 -15.165 -4.976 1.00 0.00 C ATOM 969 CG ARG A 982 10.108 -16.395 -5.059 1.00 0.00 C ATOM 970 CD ARG A 982 9.967 -17.079 -6.414 1.00 0.00 C ATOM 971 NE ARG A 982 8.589 -17.506 -6.686 1.00 0.00 N ATOM 972 CZ ARG A 982 7.731 -16.826 -7.457 1.00 0.00 C ATOM 973 NH1 ARG A 982 8.097 -15.684 -8.022 1.00 0.00 N ATOM 974 NH2 ARG A 982 6.506 -17.295 -7.668 1.00 0.00 N ATOM 0 H ARG A 982 8.710 -15.826 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 982 10.571 -14.044 -3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 982 8.182 -15.485 -4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 982 9.343 -14.586 -5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 982 11.148 -16.111 -4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 982 9.842 -17.093 -4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 982 10.294 -16.396 -7.198 1.00 0.00 H new ATOM 0 HD3 ARG A 982 10.627 -17.946 -6.451 1.00 0.00 H new ATOM 0 HE ARG A 982 8.265 -18.375 -6.261 1.00 0.00 H new ATOM 0 HH11 ARG A 982 9.037 -15.318 -7.871 1.00 0.00 H new ATOM 0 HH12 ARG A 982 7.439 -15.171 -8.608 1.00 0.00 H new ATOM 0 HH21 ARG A 982 6.217 -18.176 -7.242 1.00 0.00 H new ATOM 0 HH22 ARG A 982 5.855 -16.775 -8.256 1.00 0.00 H new ATOM 988 N GLU A 983 7.408 -13.011 -3.924 1.00 0.00 N ATOM 989 CA GLU A 983 6.596 -11.840 -4.213 1.00 0.00 C ATOM 990 C GLU A 983 6.585 -10.858 -3.069 1.00 0.00 C ATOM 991 O GLU A 983 6.742 -9.660 -3.272 1.00 0.00 O ATOM 992 CB GLU A 983 5.152 -12.206 -4.511 1.00 0.00 C ATOM 993 CG GLU A 983 4.581 -11.369 -5.628 1.00 0.00 C ATOM 994 CD GLU A 983 4.611 -12.109 -6.946 1.00 0.00 C ATOM 995 OE1 GLU A 983 4.286 -13.318 -6.955 1.00 0.00 O ATOM 996 OE2 GLU A 983 4.982 -11.506 -7.969 1.00 0.00 O ATOM 0 H GLU A 983 6.882 -13.852 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 983 7.056 -11.385 -5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 983 5.092 -13.261 -4.780 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.550 -12.072 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 983 3.554 -11.092 -5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 983 5.149 -10.443 -5.717 1.00 0.00 H new ATOM 1003 N ILE A 984 6.367 -11.360 -1.867 1.00 0.00 N ATOM 1004 CA ILE A 984 6.166 -10.487 -0.729 1.00 0.00 C ATOM 1005 C ILE A 984 7.334 -9.524 -0.586 1.00 0.00 C ATOM 1006 O ILE A 984 7.138 -8.349 -0.318 1.00 0.00 O ATOM 1007 CB ILE A 984 5.940 -11.281 0.577 1.00 0.00 C ATOM 1008 CG1 ILE A 984 5.605 -10.335 1.733 1.00 0.00 C ATOM 1009 CG2 ILE A 984 7.155 -12.127 0.917 1.00 0.00 C ATOM 1010 CD1 ILE A 984 5.336 -11.050 3.041 1.00 0.00 C ATOM 0 H ILE A 984 6.325 -12.357 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 984 5.259 -9.911 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 984 5.094 -11.950 0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 984 6.431 -9.638 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 984 4.730 -9.743 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.970 -12.676 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.345 -12.832 0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 984 8.023 -11.481 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 984 5.106 -10.318 3.815 1.00 0.00 H new ATOM 0 HD12 ILE A 984 4.490 -11.727 2.918 1.00 0.00 H new ATOM 0 HD13 ILE A 984 6.218 -11.620 3.332 1.00 0.00 H new ATOM 1022 N GLU A 985 8.541 -10.007 -0.852 1.00 0.00 N ATOM 1023 CA GLU A 985 9.716 -9.168 -0.721 1.00 0.00 C ATOM 1024 C GLU A 985 9.795 -8.146 -1.857 1.00 0.00 C ATOM 1025 O GLU A 985 10.291 -7.038 -1.650 1.00 0.00 O ATOM 1026 CB GLU A 985 11.002 -10.010 -0.616 1.00 0.00 C ATOM 1027 CG GLU A 985 11.419 -10.738 -1.886 1.00 0.00 C ATOM 1028 CD GLU A 985 12.263 -9.885 -2.814 1.00 0.00 C ATOM 1029 OE1 GLU A 985 12.842 -8.880 -2.350 1.00 0.00 O ATOM 1030 OE2 GLU A 985 12.356 -10.217 -4.011 1.00 0.00 O ATOM 0 H GLU A 985 8.727 -10.963 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 985 9.624 -8.611 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 985 11.818 -9.356 -0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 985 10.868 -10.747 0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 985 11.979 -11.634 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 985 10.526 -11.068 -2.418 1.00 0.00 H new ATOM 1037 N MET A 986 9.300 -8.491 -3.055 1.00 0.00 N ATOM 1038 CA MET A 986 9.374 -7.540 -4.167 1.00 0.00 C ATOM 1039 C MET A 986 8.569 -6.266 -3.864 1.00 0.00 C ATOM 1040 O MET A 986 9.120 -5.159 -3.857 1.00 0.00 O ATOM 1041 CB MET A 986 8.967 -8.161 -5.521 1.00 0.00 C ATOM 1042 CG MET A 986 7.487 -8.455 -5.696 1.00 0.00 C ATOM 1043 SD MET A 986 7.086 -9.035 -7.355 1.00 0.00 S ATOM 1044 CE MET A 986 8.139 -10.480 -7.476 1.00 0.00 C ATOM 0 H MET A 986 8.861 -9.386 -3.272 1.00 0.00 H new ATOM 0 HA MET A 986 10.423 -7.261 -4.266 1.00 0.00 H new ATOM 0 HB2 MET A 986 9.281 -7.486 -6.318 1.00 0.00 H new ATOM 0 HB3 MET A 986 9.521 -9.090 -5.654 1.00 0.00 H new ATOM 0 HG2 MET A 986 7.181 -9.207 -4.969 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.914 -7.553 -5.482 1.00 0.00 H new ATOM 0 HE1 MET A 986 8.952 -10.280 -8.174 1.00 0.00 H new ATOM 0 HE2 MET A 986 8.553 -10.712 -6.495 1.00 0.00 H new ATOM 0 HE3 MET A 986 7.554 -11.328 -7.833 1.00 0.00 H new ATOM 1054 N ALA A 987 7.284 -6.420 -3.573 1.00 0.00 N ATOM 1055 CA ALA A 987 6.410 -5.290 -3.346 1.00 0.00 C ATOM 1056 C ALA A 987 6.571 -4.704 -1.955 1.00 0.00 C ATOM 1057 O ALA A 987 6.412 -3.512 -1.784 1.00 0.00 O ATOM 1058 CB ALA A 987 4.965 -5.663 -3.597 1.00 0.00 C ATOM 0 H ALA A 987 6.826 -7.328 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 987 6.704 -4.519 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 987 4.329 -4.796 -3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.848 -5.993 -4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.675 -6.470 -2.923 1.00 0.00 H new ATOM 1064 N GLN A 988 6.867 -5.526 -0.955 1.00 0.00 N ATOM 1065 CA GLN A 988 6.989 -5.010 0.411 1.00 0.00 C ATOM 1066 C GLN A 988 8.093 -3.961 0.511 1.00 0.00 C ATOM 1067 O GLN A 988 7.902 -2.906 1.123 1.00 0.00 O ATOM 1068 CB GLN A 988 7.244 -6.130 1.419 1.00 0.00 C ATOM 1069 CG GLN A 988 7.530 -5.629 2.827 1.00 0.00 C ATOM 1070 CD GLN A 988 7.763 -6.749 3.821 1.00 0.00 C ATOM 1071 OE1 GLN A 988 8.223 -7.832 3.463 1.00 0.00 O ATOM 1072 NE2 GLN A 988 7.466 -6.483 5.082 1.00 0.00 N ATOM 0 H GLN A 988 7.024 -6.529 -1.055 1.00 0.00 H new ATOM 0 HA GLN A 988 6.036 -4.540 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 988 6.375 -6.788 1.446 1.00 0.00 H new ATOM 0 HB3 GLN A 988 8.088 -6.730 1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 988 8.407 -4.983 2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 988 6.693 -5.019 3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 988 7.086 -5.571 5.335 1.00 0.00 H new ATOM 0 HE22 GLN A 988 7.617 -7.190 5.802 1.00 0.00 H new ATOM 1081 N LYS A 989 9.245 -4.240 -0.096 1.00 0.00 N ATOM 1082 CA LYS A 989 10.327 -3.259 -0.121 1.00 0.00 C ATOM 1083 C LYS A 989 9.878 -2.049 -0.921 1.00 0.00 C ATOM 1084 O LYS A 989 10.233 -0.912 -0.613 1.00 0.00 O ATOM 1085 CB LYS A 989 11.606 -3.836 -0.739 1.00 0.00 C ATOM 1086 CG LYS A 989 12.071 -5.144 -0.114 1.00 0.00 C ATOM 1087 CD LYS A 989 13.472 -5.531 -0.580 1.00 0.00 C ATOM 1088 CE LYS A 989 13.634 -5.422 -2.093 1.00 0.00 C ATOM 1089 NZ LYS A 989 12.713 -6.322 -2.834 1.00 0.00 N ATOM 0 H LYS A 989 9.451 -5.120 -0.569 1.00 0.00 H new ATOM 0 HA LYS A 989 10.555 -2.976 0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 989 11.441 -3.995 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 989 12.404 -3.099 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 989 12.062 -5.051 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 989 11.370 -5.938 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 989 14.205 -4.888 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 989 13.686 -6.553 -0.267 1.00 0.00 H new ATOM 0 HE2 LYS A 989 13.454 -4.392 -2.400 1.00 0.00 H new ATOM 0 HE3 LYS A 989 14.663 -5.660 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 12.677 -6.036 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 13.056 -7.302 -2.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 11.760 -6.260 -2.422 1.00 0.00 H new ATOM 1103 N LEU A 990 9.072 -2.319 -1.941 1.00 0.00 N ATOM 1104 CA LEU A 990 8.495 -1.286 -2.784 1.00 0.00 C ATOM 1105 C LEU A 990 7.549 -0.389 -1.966 1.00 0.00 C ATOM 1106 O LEU A 990 7.632 0.835 -2.044 1.00 0.00 O ATOM 1107 CB LEU A 990 7.802 -1.980 -3.975 1.00 0.00 C ATOM 1108 CG LEU A 990 6.589 -1.287 -4.583 1.00 0.00 C ATOM 1109 CD1 LEU A 990 6.959 0.074 -5.155 1.00 0.00 C ATOM 1110 CD2 LEU A 990 5.976 -2.161 -5.661 1.00 0.00 C ATOM 0 H LEU A 990 8.801 -3.266 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 990 9.264 -0.620 -3.176 1.00 0.00 H new ATOM 0 HB2 LEU A 990 8.543 -2.115 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 990 7.495 -2.975 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 990 5.857 -1.129 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 990 6.072 0.543 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 990 7.358 0.706 -4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 990 7.713 -0.051 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 990 5.110 -1.657 -6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 990 6.713 -2.344 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.665 -3.111 -5.226 1.00 0.00 H new ATOM 1122 N LEU A 991 6.684 -1.010 -1.165 1.00 0.00 N ATOM 1123 CA LEU A 991 5.789 -0.285 -0.258 1.00 0.00 C ATOM 1124 C LEU A 991 6.580 0.646 0.639 1.00 0.00 C ATOM 1125 O LEU A 991 6.373 1.852 0.637 1.00 0.00 O ATOM 1126 CB LEU A 991 5.033 -1.248 0.649 1.00 0.00 C ATOM 1127 CG LEU A 991 4.348 -2.413 -0.032 1.00 0.00 C ATOM 1128 CD1 LEU A 991 4.049 -3.492 0.992 1.00 0.00 C ATOM 1129 CD2 LEU A 991 3.066 -1.958 -0.694 1.00 0.00 C ATOM 0 H LEU A 991 6.582 -2.024 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 991 5.092 0.276 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 991 5.732 -1.645 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.280 -0.682 1.198 1.00 0.00 H new ATOM 0 HG LEU A 991 5.009 -2.815 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 991 3.556 -4.332 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 991 4.980 -3.832 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 991 3.396 -3.088 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.586 -2.808 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.395 -1.543 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 991 3.292 -1.195 -1.439 1.00 0.00 H new ATOM 1141 N ASN A 992 7.484 0.054 1.420 1.00 0.00 N ATOM 1142 CA ASN A 992 8.303 0.805 2.368 1.00 0.00 C ATOM 1143 C ASN A 992 8.966 1.981 1.673 1.00 0.00 C ATOM 1144 O ASN A 992 8.990 3.093 2.197 1.00 0.00 O ATOM 1145 CB ASN A 992 9.364 -0.109 2.993 1.00 0.00 C ATOM 1146 CG ASN A 992 10.219 0.598 4.032 1.00 0.00 C ATOM 1147 OD1 ASN A 992 9.863 0.652 5.207 1.00 0.00 O ATOM 1148 ND2 ASN A 992 11.360 1.126 3.612 1.00 0.00 N ATOM 0 H ASN A 992 7.667 -0.949 1.413 1.00 0.00 H new ATOM 0 HA ASN A 992 7.659 1.186 3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 992 8.872 -0.964 3.456 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.008 -0.500 2.206 1.00 0.00 H new ATOM 0 HD21 ASN A 992 11.977 1.598 4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 992 11.621 1.060 2.628 1.00 0.00 H new ATOM 1155 N SER A 993 9.473 1.719 0.479 1.00 0.00 N ATOM 1156 CA SER A 993 10.127 2.732 -0.321 1.00 0.00 C ATOM 1157 C SER A 993 9.156 3.854 -0.682 1.00 0.00 C ATOM 1158 O SER A 993 9.383 5.010 -0.336 1.00 0.00 O ATOM 1159 CB SER A 993 10.697 2.091 -1.593 1.00 0.00 C ATOM 1160 OG SER A 993 11.303 3.051 -2.441 1.00 0.00 O ATOM 0 H SER A 993 9.441 0.798 0.041 1.00 0.00 H new ATOM 0 HA SER A 993 10.940 3.167 0.261 1.00 0.00 H new ATOM 0 HB2 SER A 993 11.431 1.333 -1.320 1.00 0.00 H new ATOM 0 HB3 SER A 993 9.898 1.582 -2.133 1.00 0.00 H new ATOM 0 HG SER A 993 11.656 2.606 -3.240 1.00 0.00 H new ATOM 1166 N ASP A 994 8.051 3.503 -1.325 1.00 0.00 N ATOM 1167 CA ASP A 994 7.186 4.508 -1.933 1.00 0.00 C ATOM 1168 C ASP A 994 6.219 5.130 -0.936 1.00 0.00 C ATOM 1169 O ASP A 994 6.038 6.345 -0.947 1.00 0.00 O ATOM 1170 CB ASP A 994 6.443 3.941 -3.143 1.00 0.00 C ATOM 1171 CG ASP A 994 7.293 3.989 -4.395 1.00 0.00 C ATOM 1172 OD1 ASP A 994 8.078 3.046 -4.639 1.00 0.00 O ATOM 1173 OD2 ASP A 994 7.204 4.987 -5.144 1.00 0.00 O ATOM 0 H ASP A 994 7.733 2.541 -1.439 1.00 0.00 H new ATOM 0 HA ASP A 994 7.837 5.311 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.151 2.911 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.525 4.507 -3.304 1.00 0.00 H new ATOM 1178 N LEU A 995 5.605 4.327 -0.069 1.00 0.00 N ATOM 1179 CA LEU A 995 4.735 4.873 0.972 1.00 0.00 C ATOM 1180 C LEU A 995 5.487 5.943 1.761 1.00 0.00 C ATOM 1181 O LEU A 995 5.017 7.073 1.891 1.00 0.00 O ATOM 1182 CB LEU A 995 4.232 3.784 1.930 1.00 0.00 C ATOM 1183 CG LEU A 995 3.030 4.189 2.778 1.00 0.00 C ATOM 1184 CD1 LEU A 995 1.781 3.481 2.285 1.00 0.00 C ATOM 1185 CD2 LEU A 995 3.292 3.901 4.247 1.00 0.00 C ATOM 0 H LEU A 995 5.691 3.311 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 995 3.866 5.310 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 995 3.968 2.901 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 995 5.048 3.497 2.593 1.00 0.00 H new ATOM 0 HG LEU A 995 2.870 5.263 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 995 0.929 3.777 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 995 1.594 3.754 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 995 1.922 2.403 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 995 2.424 4.196 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 995 3.476 2.835 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 995 4.164 4.465 4.578 1.00 0.00 H new ATOM 1197 N ALA A 996 6.651 5.575 2.303 1.00 0.00 N ATOM 1198 CA ALA A 996 7.519 6.536 2.978 1.00 0.00 C ATOM 1199 C ALA A 996 7.858 7.727 2.087 1.00 0.00 C ATOM 1200 O ALA A 996 7.809 8.873 2.529 1.00 0.00 O ATOM 1201 CB ALA A 996 8.792 5.860 3.465 1.00 0.00 C ATOM 0 H ALA A 996 7.011 4.621 2.286 1.00 0.00 H new ATOM 0 HA ALA A 996 6.969 6.917 3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 996 9.425 6.593 3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 996 8.537 5.064 4.164 1.00 0.00 H new ATOM 0 HB3 ALA A 996 9.328 5.438 2.615 1.00 0.00 H new ATOM 1207 N GLU A 997 8.179 7.470 0.832 1.00 0.00 N ATOM 1208 CA GLU A 997 8.485 8.567 -0.072 1.00 0.00 C ATOM 1209 C GLU A 997 7.340 9.553 -0.064 1.00 0.00 C ATOM 1210 O GLU A 997 7.548 10.756 0.062 1.00 0.00 O ATOM 1211 CB GLU A 997 8.758 8.107 -1.488 1.00 0.00 C ATOM 1212 CG GLU A 997 10.150 7.556 -1.672 1.00 0.00 C ATOM 1213 CD GLU A 997 10.463 7.246 -3.121 1.00 0.00 C ATOM 1214 OE1 GLU A 997 10.272 8.140 -3.976 1.00 0.00 O ATOM 1215 OE2 GLU A 997 10.895 6.113 -3.415 1.00 0.00 O ATOM 0 H GLU A 997 8.234 6.538 0.422 1.00 0.00 H new ATOM 0 HA GLU A 997 9.400 9.038 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 997 8.032 7.342 -1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.612 8.944 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 997 10.875 8.276 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 997 10.260 6.649 -1.078 1.00 0.00 H new ATOM 1222 N LEU A 998 6.130 9.019 -0.102 1.00 0.00 N ATOM 1223 CA LEU A 998 4.932 9.836 -0.102 1.00 0.00 C ATOM 1224 C LEU A 998 4.812 10.624 1.183 1.00 0.00 C ATOM 1225 O LEU A 998 4.406 11.782 1.165 1.00 0.00 O ATOM 1226 CB LEU A 998 3.682 8.985 -0.316 1.00 0.00 C ATOM 1227 CG LEU A 998 3.251 8.841 -1.772 1.00 0.00 C ATOM 1228 CD1 LEU A 998 2.902 10.203 -2.347 1.00 0.00 C ATOM 1229 CD2 LEU A 998 4.348 8.180 -2.588 1.00 0.00 C ATOM 0 H LEU A 998 5.953 8.015 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 998 5.016 10.537 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.860 7.992 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 998 2.860 9.422 0.251 1.00 0.00 H new ATOM 0 HG LEU A 998 2.366 8.206 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 998 2.595 10.091 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.086 10.642 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 998 3.774 10.855 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 998 4.024 8.085 -3.624 1.00 0.00 H new ATOM 0 HD22 LEU A 998 5.251 8.789 -2.545 1.00 0.00 H new ATOM 0 HD23 LEU A 998 4.558 7.191 -2.182 1.00 0.00 H new ATOM 1241 N ILE A 999 5.217 10.025 2.298 1.00 0.00 N ATOM 1242 CA ILE A 999 5.084 10.707 3.583 1.00 0.00 C ATOM 1243 C ILE A 999 6.081 11.856 3.668 1.00 0.00 C ATOM 1244 O ILE A 999 6.002 12.707 4.557 1.00 0.00 O ATOM 1245 CB ILE A 999 5.223 9.774 4.820 1.00 0.00 C ATOM 1246 CG1 ILE A 999 6.680 9.398 5.096 1.00 0.00 C ATOM 1247 CG2 ILE A 999 4.381 8.517 4.635 1.00 0.00 C ATOM 1248 CD1 ILE A 999 6.872 8.567 6.348 1.00 0.00 C ATOM 0 H ILE A 999 5.630 9.093 2.341 1.00 0.00 H new ATOM 0 HA ILE A 999 4.064 11.089 3.618 1.00 0.00 H new ATOM 0 HB ILE A 999 4.858 10.327 5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 999 7.071 8.846 4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 999 7.270 10.310 5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 999 4.489 7.875 5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 999 3.334 8.795 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 999 4.717 7.981 3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 999 7.931 8.341 6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 999 6.513 9.124 7.213 1.00 0.00 H new ATOM 0 HD13 ILE A 999 6.311 7.637 6.257 1.00 0.00 H new ATOM 1260 N ASN A1000 6.967 11.930 2.684 1.00 0.00 N ATOM 1261 CA ASN A1000 7.936 13.006 2.618 1.00 0.00 C ATOM 1262 C ASN A1000 7.627 13.866 1.417 1.00 0.00 C ATOM 1263 O ASN A1000 8.138 14.955 1.315 1.00 0.00 O ATOM 1264 CB ASN A1000 9.368 12.480 2.499 1.00 0.00 C ATOM 1265 CG ASN A1000 9.822 11.709 3.714 1.00 0.00 C ATOM 1266 OD1 ASN A1000 10.529 12.231 4.576 1.00 0.00 O ATOM 1267 ND2 ASN A1000 9.376 10.474 3.808 1.00 0.00 N ATOM 0 H ASN A1000 7.032 11.255 1.922 1.00 0.00 H new ATOM 0 HA ASN A1000 7.866 13.581 3.541 1.00 0.00 H new ATOM 0 HB2 ASN A1000 9.440 11.838 1.621 1.00 0.00 H new ATOM 0 HB3 ASN A1000 10.044 13.319 2.336 1.00 0.00 H new ATOM 0 HD21 ASN A1000 9.614 9.906 4.621 1.00 0.00 H new ATOM 0 HD22 ASN A1000 8.793 10.085 3.067 1.00 0.00 H new ATOM 1274 N LYS A1001 6.801 13.366 0.495 1.00 0.00 N ATOM 1275 CA LYS A1001 6.321 14.190 -0.612 1.00 0.00 C ATOM 1276 C LYS A1001 5.288 15.166 -0.080 1.00 0.00 C ATOM 1277 O LYS A1001 5.159 16.281 -0.573 1.00 0.00 O ATOM 1278 CB LYS A1001 5.684 13.347 -1.730 1.00 0.00 C ATOM 1279 CG LYS A1001 6.525 12.171 -2.202 1.00 0.00 C ATOM 1280 CD LYS A1001 7.883 12.588 -2.743 1.00 0.00 C ATOM 1281 CE LYS A1001 7.781 13.237 -4.112 1.00 0.00 C ATOM 1282 NZ LYS A1001 9.043 13.074 -4.882 1.00 0.00 N ATOM 0 H LYS A1001 6.455 12.406 0.493 1.00 0.00 H new ATOM 0 HA LYS A1001 7.177 14.714 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A1001 4.723 12.970 -1.379 1.00 0.00 H new ATOM 0 HB3 LYS A1001 5.480 13.995 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A1001 6.668 11.478 -1.373 1.00 0.00 H new ATOM 0 HG3 LYS A1001 5.982 11.632 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.351 13.284 -2.047 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.532 11.714 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS A1001 6.954 12.793 -4.667 1.00 0.00 H new ATOM 0 HE3 LYS A1001 7.556 14.297 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 8.943 13.527 -5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.827 13.519 -4.363 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 9.243 12.062 -5.010 1.00 0.00 H new ATOM 1296 N MET A1002 4.544 14.727 0.929 1.00 0.00 N ATOM 1297 CA MET A1002 3.585 15.571 1.598 1.00 0.00 C ATOM 1298 C MET A1002 4.319 16.478 2.559 1.00 0.00 C ATOM 1299 O MET A1002 4.013 17.663 2.667 1.00 0.00 O ATOM 1300 CB MET A1002 2.578 14.721 2.349 1.00 0.00 C ATOM 1301 CG MET A1002 2.089 13.530 1.553 1.00 0.00 C ATOM 1302 SD MET A1002 1.327 13.980 -0.016 1.00 0.00 S ATOM 1303 CE MET A1002 0.736 12.379 -0.562 1.00 0.00 C ATOM 0 H MET A1002 4.595 13.778 1.299 1.00 0.00 H new ATOM 0 HA MET A1002 3.049 16.172 0.863 1.00 0.00 H new ATOM 0 HB2 MET A1002 3.030 14.369 3.276 1.00 0.00 H new ATOM 0 HB3 MET A1002 1.724 15.340 2.625 1.00 0.00 H new ATOM 0 HG2 MET A1002 2.928 12.861 1.362 1.00 0.00 H new ATOM 0 HG3 MET A1002 1.368 12.974 2.152 1.00 0.00 H new ATOM 0 HE1 MET A1002 0.850 12.298 -1.643 1.00 0.00 H new ATOM 0 HE2 MET A1002 1.314 11.593 -0.076 1.00 0.00 H new ATOM 0 HE3 MET A1002 -0.316 12.271 -0.299 1.00 0.00 H new ATOM 1313 N LYS A1003 5.296 15.905 3.264 1.00 0.00 N ATOM 1314 CA LYS A1003 6.227 16.699 4.044 1.00 0.00 C ATOM 1315 C LYS A1003 6.888 17.732 3.137 1.00 0.00 C ATOM 1316 O LYS A1003 7.008 18.878 3.505 1.00 0.00 O ATOM 1317 CB LYS A1003 7.281 15.797 4.697 1.00 0.00 C ATOM 1318 CG LYS A1003 8.414 16.547 5.390 1.00 0.00 C ATOM 1319 CD LYS A1003 7.928 17.395 6.559 1.00 0.00 C ATOM 1320 CE LYS A1003 7.235 16.558 7.623 1.00 0.00 C ATOM 1321 NZ LYS A1003 7.067 17.303 8.898 1.00 0.00 N ATOM 0 H LYS A1003 5.457 14.899 3.307 1.00 0.00 H new ATOM 0 HA LYS A1003 5.688 17.215 4.839 1.00 0.00 H new ATOM 0 HB2 LYS A1003 6.789 15.154 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A1003 7.707 15.146 3.934 1.00 0.00 H new ATOM 0 HG2 LYS A1003 9.153 15.830 5.749 1.00 0.00 H new ATOM 0 HG3 LYS A1003 8.917 17.188 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A1003 8.775 17.918 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A1003 7.240 18.157 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A1003 6.258 16.243 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A1003 7.814 15.653 7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 6.591 16.695 9.595 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 8.000 17.582 9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 6.492 18.153 8.730 1.00 0.00 H new ATOM 1335 N LEU A1004 7.314 17.288 1.961 1.00 0.00 N ATOM 1336 CA LEU A1004 7.876 18.168 0.932 1.00 0.00 C ATOM 1337 C LEU A1004 6.874 19.215 0.456 1.00 0.00 C ATOM 1338 O LEU A1004 7.207 20.389 0.367 1.00 0.00 O ATOM 1339 CB LEU A1004 8.385 17.361 -0.261 1.00 0.00 C ATOM 1340 CG LEU A1004 9.816 16.835 -0.125 1.00 0.00 C ATOM 1341 CD1 LEU A1004 10.212 16.045 -1.359 1.00 0.00 C ATOM 1342 CD2 LEU A1004 10.791 17.978 0.113 1.00 0.00 C ATOM 0 H LEU A1004 7.281 16.306 1.689 1.00 0.00 H new ATOM 0 HA LEU A1004 8.713 18.691 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A1004 7.717 16.515 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A1004 8.327 17.984 -1.153 1.00 0.00 H new ATOM 0 HG LEU A1004 9.854 16.170 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A1004 11.232 15.679 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A1004 9.535 15.200 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A1004 10.154 16.688 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A1004 11.802 17.581 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A1004 10.750 18.672 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A1004 10.521 18.502 1.030 1.00 0.00 H new ATOM 1354 N ALA A1005 5.659 18.796 0.137 1.00 0.00 N ATOM 1355 CA ALA A1005 4.624 19.729 -0.297 1.00 0.00 C ATOM 1356 C ALA A1005 4.390 20.788 0.772 1.00 0.00 C ATOM 1357 O ALA A1005 4.306 21.982 0.480 1.00 0.00 O ATOM 1358 CB ALA A1005 3.332 18.988 -0.610 1.00 0.00 C ATOM 0 H ALA A1005 5.364 17.820 0.169 1.00 0.00 H new ATOM 0 HA ALA A1005 4.961 20.223 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.573 19.701 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.511 18.265 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.986 18.467 0.283 1.00 0.00 H new ATOM 1364 N GLN A1006 4.322 20.333 2.015 1.00 0.00 N ATOM 1365 CA GLN A1006 4.143 21.214 3.158 1.00 0.00 C ATOM 1366 C GLN A1006 5.467 21.922 3.483 1.00 0.00 C ATOM 1367 O GLN A1006 5.500 22.925 4.198 1.00 0.00 O ATOM 1368 CB GLN A1006 3.623 20.380 4.343 1.00 0.00 C ATOM 1369 CG GLN A1006 4.702 19.750 5.212 1.00 0.00 C ATOM 1370 CD GLN A1006 5.100 20.608 6.399 1.00 0.00 C ATOM 1371 OE1 GLN A1006 4.153 21.356 6.944 1.00 0.00 O flip ATOM 1372 NE2 GLN A1006 6.248 20.578 6.835 1.00 0.00 N flip ATOM 0 H GLN A1006 4.389 19.345 2.258 1.00 0.00 H new ATOM 0 HA GLN A1006 3.411 21.991 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A1006 3.000 21.017 4.970 1.00 0.00 H new ATOM 0 HB3 GLN A1006 2.982 19.588 3.956 1.00 0.00 H new ATOM 0 HG2 GLN A1006 4.348 18.785 5.574 1.00 0.00 H new ATOM 0 HG3 GLN A1006 5.584 19.558 4.601 1.00 0.00 H new ATOM 0 HE21 GLN A1006 6.949 19.988 6.386 1.00 0.00 H new ATOM 0 HE22 GLN A1006 6.501 21.143 7.646 1.00 0.00 H new ATOM 1381 N GLN A1007 6.549 21.375 2.938 1.00 0.00 N ATOM 1382 CA GLN A1007 7.897 21.906 3.128 1.00 0.00 C ATOM 1383 C GLN A1007 8.145 23.071 2.179 1.00 0.00 C ATOM 1384 O GLN A1007 8.814 24.045 2.522 1.00 0.00 O ATOM 1385 CB GLN A1007 8.935 20.793 2.880 1.00 0.00 C ATOM 1386 CG GLN A1007 10.340 21.115 3.355 1.00 0.00 C ATOM 1387 CD GLN A1007 10.401 21.495 4.823 1.00 0.00 C ATOM 1388 OE1 GLN A1007 9.496 20.952 5.625 1.00 0.00 O flip ATOM 1389 NE2 GLN A1007 11.260 22.274 5.231 1.00 0.00 N flip ATOM 0 H GLN A1007 6.516 20.544 2.347 1.00 0.00 H new ATOM 0 HA GLN A1007 7.994 22.265 4.153 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.598 19.884 3.378 1.00 0.00 H new ATOM 0 HB3 GLN A1007 8.968 20.578 1.812 1.00 0.00 H new ATOM 0 HG2 GLN A1007 10.982 20.251 3.183 1.00 0.00 H new ATOM 0 HG3 GLN A1007 10.740 21.934 2.757 1.00 0.00 H new ATOM 0 HE21 GLN A1007 11.939 22.670 4.581 1.00 0.00 H new ATOM 0 HE22 GLN A1007 11.294 22.524 6.219 1.00 0.00 H new ATOM 1398 N TYR A1008 7.601 22.950 0.980 1.00 0.00 N ATOM 1399 CA TYR A1008 7.714 23.982 -0.032 1.00 0.00 C ATOM 1400 C TYR A1008 6.825 25.156 0.345 1.00 0.00 C ATOM 1401 O TYR A1008 7.322 26.243 0.653 1.00 0.00 O ATOM 1402 CB TYR A1008 7.293 23.414 -1.388 1.00 0.00 C ATOM 1403 CG TYR A1008 7.837 24.157 -2.592 1.00 0.00 C ATOM 1404 CD1 TYR A1008 9.010 24.899 -2.511 1.00 0.00 C ATOM 1405 CD2 TYR A1008 7.188 24.089 -3.819 1.00 0.00 C ATOM 1406 CE1 TYR A1008 9.513 25.557 -3.614 1.00 0.00 C ATOM 1407 CE2 TYR A1008 7.690 24.738 -4.930 1.00 0.00 C ATOM 1408 CZ TYR A1008 8.853 25.472 -4.822 1.00 0.00 C ATOM 1409 OH TYR A1008 9.364 26.114 -5.927 1.00 0.00 O ATOM 0 H TYR A1008 7.069 22.132 0.682 1.00 0.00 H new ATOM 0 HA TYR A1008 8.747 24.324 -0.097 1.00 0.00 H new ATOM 0 HB2 TYR A1008 7.616 22.375 -1.445 1.00 0.00 H new ATOM 0 HB3 TYR A1008 6.204 23.413 -1.442 1.00 0.00 H new ATOM 0 HD1 TYR A1008 9.536 24.961 -1.570 1.00 0.00 H new ATOM 0 HD2 TYR A1008 6.275 23.519 -3.905 1.00 0.00 H new ATOM 0 HE1 TYR A1008 10.421 26.137 -3.532 1.00 0.00 H new ATOM 0 HE2 TYR A1008 7.175 24.671 -5.877 1.00 0.00 H new ATOM 0 HH TYR A1008 8.780 25.953 -6.698 1.00 0.00 H new ATOM 1496 N GLN A1014 3.636 25.828 -4.821 1.00 0.00 N ATOM 1497 CA GLN A1014 3.534 24.563 -4.102 1.00 0.00 C ATOM 1498 C GLN A1014 2.908 23.486 -4.992 1.00 0.00 C ATOM 1499 O GLN A1014 3.160 22.295 -4.806 1.00 0.00 O ATOM 1500 CB GLN A1014 2.703 24.762 -2.825 1.00 0.00 C ATOM 1501 CG GLN A1014 2.720 23.577 -1.865 1.00 0.00 C ATOM 1502 CD GLN A1014 1.439 22.757 -1.897 1.00 0.00 C ATOM 1503 OE1 GLN A1014 0.490 23.038 -1.171 1.00 0.00 O ATOM 1504 NE2 GLN A1014 1.408 21.728 -2.728 1.00 0.00 N ATOM 0 HA GLN A1014 4.534 24.230 -3.826 1.00 0.00 H new ATOM 0 HB2 GLN A1014 3.073 25.643 -2.300 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.671 24.969 -3.108 1.00 0.00 H new ATOM 0 HG2 GLN A1014 3.563 22.931 -2.111 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.884 23.942 -0.851 1.00 0.00 H new ATOM 0 HE21 GLN A1014 2.215 21.524 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN A1014 0.577 21.139 -2.780 1.00 0.00 H new ATOM 1513 N GLN A1015 2.085 23.916 -5.952 1.00 0.00 N ATOM 1514 CA GLN A1015 1.428 22.992 -6.880 1.00 0.00 C ATOM 1515 C GLN A1015 2.439 22.123 -7.645 1.00 0.00 C ATOM 1516 O GLN A1015 2.122 20.997 -8.010 1.00 0.00 O ATOM 1517 CB GLN A1015 0.483 23.744 -7.843 1.00 0.00 C ATOM 1518 CG GLN A1015 0.997 23.927 -9.272 1.00 0.00 C ATOM 1519 CD GLN A1015 2.064 24.998 -9.408 1.00 0.00 C ATOM 1520 OE1 GLN A1015 2.840 25.243 -8.491 1.00 0.00 O ATOM 1521 NE2 GLN A1015 2.104 25.645 -10.557 1.00 0.00 N ATOM 0 H GLN A1015 1.858 24.898 -6.107 1.00 0.00 H new ATOM 0 HA GLN A1015 0.821 22.314 -6.281 1.00 0.00 H new ATOM 0 HB2 GLN A1015 -0.465 23.208 -7.884 1.00 0.00 H new ATOM 0 HB3 GLN A1015 0.275 24.728 -7.423 1.00 0.00 H new ATOM 0 HG2 GLN A1015 1.400 22.979 -9.627 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.158 24.179 -9.920 1.00 0.00 H new ATOM 0 HE21 GLN A1015 1.441 25.412 -11.297 1.00 0.00 H new ATOM 0 HE22 GLN A1015 2.798 26.378 -10.706 1.00 0.00 H new ATOM 1530 N GLU A1016 3.632 22.653 -7.916 1.00 0.00 N ATOM 1531 CA GLU A1016 4.731 21.841 -8.446 1.00 0.00 C ATOM 1532 C GLU A1016 4.999 20.638 -7.548 1.00 0.00 C ATOM 1533 O GLU A1016 5.017 19.498 -8.002 1.00 0.00 O ATOM 1534 CB GLU A1016 5.999 22.686 -8.570 1.00 0.00 C ATOM 1535 CG GLU A1016 7.211 21.901 -9.040 1.00 0.00 C ATOM 1536 CD GLU A1016 8.439 22.769 -9.190 1.00 0.00 C ATOM 1537 OE1 GLU A1016 8.417 23.698 -10.023 1.00 0.00 O ATOM 1538 OE2 GLU A1016 9.438 22.519 -8.486 1.00 0.00 O ATOM 0 H GLU A1016 3.863 23.637 -7.778 1.00 0.00 H new ATOM 0 HA GLU A1016 4.441 21.480 -9.433 1.00 0.00 H new ATOM 0 HB2 GLU A1016 5.814 23.503 -9.267 1.00 0.00 H new ATOM 0 HB3 GLU A1016 6.221 23.136 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A1016 7.420 21.101 -8.330 1.00 0.00 H new ATOM 0 HG3 GLU A1016 6.985 21.428 -9.996 1.00 0.00 H new ATOM 1545 N TYR A1017 5.221 20.913 -6.277 1.00 0.00 N ATOM 1546 CA TYR A1017 5.398 19.853 -5.293 1.00 0.00 C ATOM 1547 C TYR A1017 4.156 18.962 -5.217 1.00 0.00 C ATOM 1548 O TYR A1017 4.268 17.754 -5.013 1.00 0.00 O ATOM 1549 CB TYR A1017 5.772 20.424 -3.924 1.00 0.00 C ATOM 1550 CG TYR A1017 7.271 20.554 -3.738 1.00 0.00 C ATOM 1551 CD1 TYR A1017 8.094 20.893 -4.807 1.00 0.00 C ATOM 1552 CD2 TYR A1017 7.871 20.313 -2.507 1.00 0.00 C ATOM 1553 CE1 TYR A1017 9.461 20.993 -4.652 1.00 0.00 C ATOM 1554 CE2 TYR A1017 9.239 20.408 -2.349 1.00 0.00 C ATOM 1555 CZ TYR A1017 10.028 20.748 -3.423 1.00 0.00 C ATOM 1556 OH TYR A1017 11.389 20.845 -3.264 1.00 0.00 O ATOM 0 H TYR A1017 5.284 21.858 -5.898 1.00 0.00 H new ATOM 0 HA TYR A1017 6.229 19.227 -5.618 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.308 21.403 -3.803 1.00 0.00 H new ATOM 0 HB3 TYR A1017 5.367 19.781 -3.143 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.655 21.081 -5.776 1.00 0.00 H new ATOM 0 HD2 TYR A1017 7.256 20.047 -1.660 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.084 21.263 -5.492 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.688 20.216 -1.386 1.00 0.00 H new ATOM 0 HH TYR A1017 11.625 20.642 -2.335 1.00 0.00 H new ATOM 1566 N LYS A1018 2.979 19.561 -5.372 1.00 0.00 N ATOM 1567 CA LYS A1018 1.733 18.797 -5.501 1.00 0.00 C ATOM 1568 C LYS A1018 1.761 17.905 -6.755 1.00 0.00 C ATOM 1569 O LYS A1018 1.240 16.794 -6.743 1.00 0.00 O ATOM 1570 CB LYS A1018 0.533 19.761 -5.530 1.00 0.00 C ATOM 1571 CG LYS A1018 -0.832 19.098 -5.355 1.00 0.00 C ATOM 1572 CD LYS A1018 -1.376 18.543 -6.664 1.00 0.00 C ATOM 1573 CE LYS A1018 -2.721 17.857 -6.472 1.00 0.00 C ATOM 1574 NZ LYS A1018 -3.806 18.815 -6.126 1.00 0.00 N ATOM 0 H LYS A1018 2.857 20.573 -5.412 1.00 0.00 H new ATOM 0 HA LYS A1018 1.631 18.140 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A1018 0.663 20.503 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS A1018 0.540 20.298 -6.478 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -0.751 18.291 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -1.537 19.824 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -1.481 19.353 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -0.662 17.833 -7.082 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -2.988 17.326 -7.386 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -2.635 17.110 -5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -4.715 18.311 -6.089 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -3.609 19.242 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -3.853 19.562 -6.848 1.00 0.00 H new ATOM 1588 N LYS A1019 2.366 18.398 -7.831 1.00 0.00 N ATOM 1589 CA LYS A1019 2.545 17.617 -9.057 1.00 0.00 C ATOM 1590 C LYS A1019 3.436 16.410 -8.783 1.00 0.00 C ATOM 1591 O LYS A1019 3.071 15.269 -9.080 1.00 0.00 O ATOM 1592 CB LYS A1019 3.171 18.489 -10.155 1.00 0.00 C ATOM 1593 CG LYS A1019 3.609 17.711 -11.388 1.00 0.00 C ATOM 1594 CD LYS A1019 2.431 17.340 -12.271 1.00 0.00 C ATOM 1595 CE LYS A1019 1.909 18.548 -13.027 1.00 0.00 C ATOM 1596 NZ LYS A1019 0.796 18.192 -13.939 1.00 0.00 N ATOM 0 H LYS A1019 2.745 19.344 -7.881 1.00 0.00 H new ATOM 0 HA LYS A1019 1.569 17.269 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A1019 2.451 19.250 -10.455 1.00 0.00 H new ATOM 0 HB3 LYS A1019 4.034 19.012 -9.742 1.00 0.00 H new ATOM 0 HG2 LYS A1019 4.318 18.308 -11.961 1.00 0.00 H new ATOM 0 HG3 LYS A1019 4.131 16.805 -11.079 1.00 0.00 H new ATOM 0 HD2 LYS A1019 2.733 16.568 -12.978 1.00 0.00 H new ATOM 0 HD3 LYS A1019 1.633 16.918 -11.659 1.00 0.00 H new ATOM 0 HE2 LYS A1019 1.569 19.302 -12.317 1.00 0.00 H new ATOM 0 HE3 LYS A1019 2.720 18.995 -13.602 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 0.468 19.045 -14.436 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 1.127 17.492 -14.633 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 0.011 17.789 -13.388 1.00 0.00 H new ATOM 1610 N GLN A1020 4.618 16.689 -8.245 1.00 0.00 N ATOM 1611 CA GLN A1020 5.539 15.642 -7.801 1.00 0.00 C ATOM 1612 C GLN A1020 4.817 14.659 -6.883 1.00 0.00 C ATOM 1613 O GLN A1020 5.043 13.447 -6.938 1.00 0.00 O ATOM 1614 CB GLN A1020 6.738 16.257 -7.069 1.00 0.00 C ATOM 1615 CG GLN A1020 7.337 17.468 -7.775 1.00 0.00 C ATOM 1616 CD GLN A1020 7.910 17.164 -9.150 1.00 0.00 C ATOM 1617 OE1 GLN A1020 7.472 16.243 -9.844 1.00 0.00 O ATOM 1618 NE2 GLN A1020 8.890 17.950 -9.558 1.00 0.00 N ATOM 0 H GLN A1020 4.965 17.638 -8.104 1.00 0.00 H new ATOM 0 HA GLN A1020 5.902 15.107 -8.679 1.00 0.00 H new ATOM 0 HB2 GLN A1020 6.428 16.550 -6.066 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.510 15.497 -6.954 1.00 0.00 H new ATOM 0 HG2 GLN A1020 6.568 18.234 -7.875 1.00 0.00 H new ATOM 0 HG3 GLN A1020 8.125 17.887 -7.149 1.00 0.00 H new ATOM 0 HE21 GLN A1020 9.225 18.702 -8.955 1.00 0.00 H new ATOM 0 HE22 GLN A1020 9.311 17.805 -10.476 1.00 0.00 H new ATOM 1627 N MET A1021 3.932 15.202 -6.057 1.00 0.00 N ATOM 1628 CA MET A1021 3.111 14.409 -5.157 1.00 0.00 C ATOM 1629 C MET A1021 2.138 13.524 -5.935 1.00 0.00 C ATOM 1630 O MET A1021 1.961 12.365 -5.595 1.00 0.00 O ATOM 1631 CB MET A1021 2.368 15.338 -4.183 1.00 0.00 C ATOM 1632 CG MET A1021 1.212 14.692 -3.435 1.00 0.00 C ATOM 1633 SD MET A1021 -0.340 14.756 -4.355 1.00 0.00 S ATOM 1634 CE MET A1021 -1.443 13.922 -3.220 1.00 0.00 C ATOM 0 H MET A1021 3.764 16.206 -5.994 1.00 0.00 H new ATOM 0 HA MET A1021 3.757 13.745 -4.582 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.082 15.723 -3.455 1.00 0.00 H new ATOM 0 HB3 MET A1021 1.988 16.194 -4.740 1.00 0.00 H new ATOM 0 HG2 MET A1021 1.460 13.652 -3.221 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.081 15.192 -2.476 1.00 0.00 H new ATOM 0 HE1 MET A1021 -2.312 13.551 -3.764 1.00 0.00 H new ATOM 0 HE2 MET A1021 -0.922 13.085 -2.755 1.00 0.00 H new ATOM 0 HE3 MET A1021 -1.768 14.621 -2.449 1.00 0.00 H new ATOM 1644 N LEU A1022 1.530 14.066 -6.986 1.00 0.00 N ATOM 1645 CA LEU A1022 0.584 13.305 -7.806 1.00 0.00 C ATOM 1646 C LEU A1022 1.249 12.087 -8.437 1.00 0.00 C ATOM 1647 O LEU A1022 0.682 10.992 -8.446 1.00 0.00 O ATOM 1648 CB LEU A1022 -0.018 14.183 -8.906 1.00 0.00 C ATOM 1649 CG LEU A1022 -1.022 15.231 -8.434 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -1.482 16.083 -9.606 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -2.212 14.560 -7.765 1.00 0.00 C ATOM 0 H LEU A1022 1.673 15.028 -7.292 1.00 0.00 H new ATOM 0 HA LEU A1022 -0.212 12.965 -7.144 1.00 0.00 H new ATOM 0 HB2 LEU A1022 0.794 14.691 -9.426 1.00 0.00 H new ATOM 0 HB3 LEU A1022 -0.508 13.537 -9.634 1.00 0.00 H new ATOM 0 HG LEU A1022 -0.535 15.878 -7.704 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -2.198 16.827 -9.256 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -0.623 16.587 -10.049 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -1.956 15.447 -10.354 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -2.919 15.320 -7.434 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -2.701 13.894 -8.476 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -1.869 13.984 -6.905 1.00 0.00 H new ATOM 1663 N THR A1023 2.446 12.281 -8.967 1.00 0.00 N ATOM 1664 CA THR A1023 3.190 11.188 -9.571 1.00 0.00 C ATOM 1665 C THR A1023 3.580 10.164 -8.508 1.00 0.00 C ATOM 1666 O THR A1023 3.386 8.958 -8.680 1.00 0.00 O ATOM 1667 CB THR A1023 4.450 11.715 -10.279 1.00 0.00 C ATOM 1668 OG1 THR A1023 4.087 12.776 -11.170 1.00 0.00 O ATOM 1669 CG2 THR A1023 5.144 10.607 -11.058 1.00 0.00 C ATOM 0 H THR A1023 2.922 13.183 -8.991 1.00 0.00 H new ATOM 0 HA THR A1023 2.551 10.707 -10.311 1.00 0.00 H new ATOM 0 HB THR A1023 5.142 12.085 -9.523 1.00 0.00 H new ATOM 0 HG1 THR A1023 4.889 13.114 -11.620 1.00 0.00 H new ATOM 0 HG21 THR A1023 6.031 11.008 -11.548 1.00 0.00 H new ATOM 0 HG22 THR A1023 5.436 9.810 -10.375 1.00 0.00 H new ATOM 0 HG23 THR A1023 4.463 10.209 -11.810 1.00 0.00 H new ATOM 1677 N ALA A1024 4.099 10.668 -7.399 1.00 0.00 N ATOM 1678 CA ALA A1024 4.488 9.823 -6.281 1.00 0.00 C ATOM 1679 C ALA A1024 3.285 9.082 -5.705 1.00 0.00 C ATOM 1680 O ALA A1024 3.362 7.894 -5.419 1.00 0.00 O ATOM 1681 CB ALA A1024 5.166 10.654 -5.207 1.00 0.00 C ATOM 0 H ALA A1024 4.261 11.664 -7.249 1.00 0.00 H new ATOM 0 HA ALA A1024 5.194 9.078 -6.648 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.452 10.010 -4.375 1.00 0.00 H new ATOM 0 HB2 ALA A1024 6.055 11.129 -5.622 1.00 0.00 H new ATOM 0 HB3 ALA A1024 4.478 11.421 -4.852 1.00 0.00 H new ATOM 1687 N ALA A1025 2.170 9.784 -5.550 1.00 0.00 N ATOM 1688 CA ALA A1025 0.957 9.199 -4.985 1.00 0.00 C ATOM 1689 C ALA A1025 0.469 8.036 -5.830 1.00 0.00 C ATOM 1690 O ALA A1025 -0.125 7.089 -5.315 1.00 0.00 O ATOM 1691 CB ALA A1025 -0.136 10.247 -4.852 1.00 0.00 C ATOM 0 H ALA A1025 2.079 10.766 -5.809 1.00 0.00 H new ATOM 0 HA ALA A1025 1.201 8.823 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -1.030 9.789 -4.429 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.206 11.048 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A1025 -0.369 10.657 -5.835 1.00 0.00 H new ATOM 1697 N HIS A1026 0.708 8.110 -7.131 1.00 0.00 N ATOM 1698 CA HIS A1026 0.354 7.013 -8.009 1.00 0.00 C ATOM 1699 C HIS A1026 1.352 5.883 -7.849 1.00 0.00 C ATOM 1700 O HIS A1026 0.978 4.722 -7.919 1.00 0.00 O ATOM 1701 CB HIS A1026 0.282 7.457 -9.473 1.00 0.00 C ATOM 1702 CG HIS A1026 -0.162 6.364 -10.407 1.00 0.00 C ATOM 1703 ND1 HIS A1026 0.475 6.071 -11.592 1.00 0.00 N ATOM 1704 CD2 HIS A1026 -1.202 5.499 -10.324 1.00 0.00 C ATOM 1705 CE1 HIS A1026 -0.153 5.080 -12.194 1.00 0.00 C ATOM 1706 NE2 HIS A1026 -1.176 4.714 -11.448 1.00 0.00 N ATOM 0 H HIS A1026 1.140 8.909 -7.594 1.00 0.00 H new ATOM 0 HA HIS A1026 -0.639 6.663 -7.725 1.00 0.00 H new ATOM 0 HB2 HIS A1026 -0.406 8.298 -9.557 1.00 0.00 H new ATOM 0 HB3 HIS A1026 1.263 7.815 -9.785 1.00 0.00 H new ATOM 0 HD2 HIS A1026 -1.920 5.439 -9.520 1.00 0.00 H new ATOM 0 HE1 HIS A1026 0.125 4.641 -13.141 1.00 0.00 H new ATOM 0 HE2 HIS A1026 -1.838 3.971 -11.670 1.00 0.00 H new ATOM 1715 N ALA A1027 2.611 6.230 -7.630 1.00 0.00 N ATOM 1716 CA ALA A1027 3.633 5.232 -7.360 1.00 0.00 C ATOM 1717 C ALA A1027 3.278 4.455 -6.097 1.00 0.00 C ATOM 1718 O ALA A1027 3.365 3.228 -6.073 1.00 0.00 O ATOM 1719 CB ALA A1027 5.000 5.885 -7.233 1.00 0.00 C ATOM 0 H ALA A1027 2.948 7.193 -7.634 1.00 0.00 H new ATOM 0 HA ALA A1027 3.675 4.534 -8.196 1.00 0.00 H new ATOM 0 HB1 ALA A1027 5.751 5.121 -7.031 1.00 0.00 H new ATOM 0 HB2 ALA A1027 5.246 6.398 -8.163 1.00 0.00 H new ATOM 0 HB3 ALA A1027 4.985 6.604 -6.414 1.00 0.00 H new ATOM 1725 N LEU A1028 2.872 5.183 -5.057 1.00 0.00 N ATOM 1726 CA LEU A1028 2.317 4.582 -3.844 1.00 0.00 C ATOM 1727 C LEU A1028 1.121 3.702 -4.170 1.00 0.00 C ATOM 1728 O LEU A1028 1.065 2.533 -3.805 1.00 0.00 O ATOM 1729 CB LEU A1028 1.886 5.688 -2.873 1.00 0.00 C ATOM 1730 CG LEU A1028 1.122 5.221 -1.625 1.00 0.00 C ATOM 1731 CD1 LEU A1028 1.694 5.878 -0.383 1.00 0.00 C ATOM 1732 CD2 LEU A1028 -0.356 5.558 -1.752 1.00 0.00 C ATOM 0 H LEU A1028 2.918 6.202 -5.031 1.00 0.00 H new ATOM 0 HA LEU A1028 3.088 3.963 -3.385 1.00 0.00 H new ATOM 0 HB2 LEU A1028 2.775 6.229 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.260 6.398 -3.415 1.00 0.00 H new ATOM 0 HG LEU A1028 1.232 4.140 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.144 5.539 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A1028 2.745 5.607 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A1028 1.605 6.961 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -0.884 5.221 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -0.475 6.636 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -0.769 5.059 -2.629 1.00 0.00 H new ATOM 1744 N ALA A1029 0.138 4.287 -4.833 1.00 0.00 N ATOM 1745 CA ALA A1029 -1.019 3.521 -5.268 1.00 0.00 C ATOM 1746 C ALA A1029 -0.617 2.281 -6.072 1.00 0.00 C ATOM 1747 O ALA A1029 -1.345 1.288 -6.089 1.00 0.00 O ATOM 1748 CB ALA A1029 -1.968 4.395 -6.075 1.00 0.00 C ATOM 0 H ALA A1029 0.116 5.276 -5.080 1.00 0.00 H new ATOM 0 HA ALA A1029 -1.534 3.175 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -2.827 3.804 -6.391 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -2.308 5.228 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -1.450 4.780 -6.953 1.00 0.00 H new ATOM 1754 N VAL A1030 0.522 2.350 -6.755 1.00 0.00 N ATOM 1755 CA VAL A1030 1.074 1.190 -7.442 1.00 0.00 C ATOM 1756 C VAL A1030 1.683 0.191 -6.456 1.00 0.00 C ATOM 1757 O VAL A1030 1.502 -1.010 -6.621 1.00 0.00 O ATOM 1758 CB VAL A1030 2.124 1.588 -8.511 1.00 0.00 C ATOM 1759 CG1 VAL A1030 2.813 0.361 -9.087 1.00 0.00 C ATOM 1760 CG2 VAL A1030 1.474 2.379 -9.635 1.00 0.00 C ATOM 0 H VAL A1030 1.080 3.199 -6.847 1.00 0.00 H new ATOM 0 HA VAL A1030 0.239 0.710 -7.953 1.00 0.00 H new ATOM 0 HB VAL A1030 2.871 2.211 -8.020 1.00 0.00 H new ATOM 0 HG11 VAL A1030 3.544 0.671 -9.834 1.00 0.00 H new ATOM 0 HG12 VAL A1030 3.319 -0.181 -8.288 1.00 0.00 H new ATOM 0 HG13 VAL A1030 2.071 -0.288 -9.553 1.00 0.00 H new ATOM 0 HG21 VAL A1030 2.229 2.648 -10.374 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.703 1.772 -10.109 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.024 3.285 -9.229 1.00 0.00 H new ATOM 1770 N ASP A1031 2.403 0.669 -5.440 1.00 0.00 N ATOM 1771 CA ASP A1031 2.953 -0.253 -4.441 1.00 0.00 C ATOM 1772 C ASP A1031 1.819 -0.993 -3.728 1.00 0.00 C ATOM 1773 O ASP A1031 1.853 -2.223 -3.613 1.00 0.00 O ATOM 1774 CB ASP A1031 3.925 0.429 -3.441 1.00 0.00 C ATOM 1775 CG ASP A1031 3.297 1.358 -2.408 1.00 0.00 C ATOM 1776 OD1 ASP A1031 2.496 0.889 -1.576 1.00 0.00 O ATOM 1777 OD2 ASP A1031 3.653 2.550 -2.395 1.00 0.00 O ATOM 0 H ASP A1031 2.615 1.655 -5.287 1.00 0.00 H new ATOM 0 HA ASP A1031 3.563 -0.981 -4.975 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.472 -0.351 -2.911 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.657 0.999 -4.012 1.00 0.00 H new ATOM 1782 N ALA A1032 0.799 -0.253 -3.302 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.446 -0.843 -2.808 1.00 0.00 C ATOM 1784 C ALA A1032 -1.049 -1.820 -3.815 1.00 0.00 C ATOM 1785 O ALA A1032 -1.508 -2.893 -3.448 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.451 0.253 -2.498 1.00 0.00 C ATOM 0 H ALA A1032 0.809 0.767 -3.289 1.00 0.00 H new ATOM 0 HA ALA A1032 -0.210 -1.398 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -2.375 -0.194 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -1.042 0.917 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.658 0.823 -3.404 1.00 0.00 H new ATOM 1792 N LYS A1033 -0.999 -1.465 -5.089 1.00 0.00 N ATOM 1793 CA LYS A1033 -1.681 -2.252 -6.113 1.00 0.00 C ATOM 1794 C LYS A1033 -0.881 -3.506 -6.433 1.00 0.00 C ATOM 1795 O LYS A1033 -1.438 -4.573 -6.701 1.00 0.00 O ATOM 1796 CB LYS A1033 -1.916 -1.437 -7.387 1.00 0.00 C ATOM 1797 CG LYS A1033 -2.727 -2.184 -8.433 1.00 0.00 C ATOM 1798 CD LYS A1033 -2.977 -1.338 -9.668 1.00 0.00 C ATOM 1799 CE LYS A1033 -3.781 -2.106 -10.702 1.00 0.00 C ATOM 1800 NZ LYS A1033 -4.010 -1.308 -11.933 1.00 0.00 N ATOM 0 H LYS A1033 -0.500 -0.647 -5.440 1.00 0.00 H new ATOM 0 HA LYS A1033 -2.655 -2.539 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -2.431 -0.512 -7.129 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -0.953 -1.157 -7.815 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -2.200 -3.095 -8.718 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -3.681 -2.489 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -3.511 -0.430 -9.389 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -2.025 -1.028 -10.099 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -3.256 -3.026 -10.959 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -4.741 -2.395 -10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -4.562 -1.869 -12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -4.533 -0.442 -11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -3.095 -1.053 -12.357 1.00 0.00 H new ATOM 1814 N ASN A1034 0.427 -3.376 -6.388 1.00 0.00 N ATOM 1815 CA ASN A1034 1.299 -4.491 -6.677 1.00 0.00 C ATOM 1816 C ASN A1034 1.315 -5.455 -5.504 1.00 0.00 C ATOM 1817 O ASN A1034 1.178 -6.647 -5.693 1.00 0.00 O ATOM 1818 CB ASN A1034 2.716 -4.012 -6.991 1.00 0.00 C ATOM 1819 CG ASN A1034 3.573 -5.107 -7.597 1.00 0.00 C ATOM 1820 OD1 ASN A1034 3.070 -6.009 -8.265 1.00 0.00 O ATOM 1821 ND2 ASN A1034 4.873 -5.026 -7.382 1.00 0.00 N ATOM 0 H ASN A1034 0.909 -2.508 -6.154 1.00 0.00 H new ATOM 0 HA ASN A1034 0.916 -5.008 -7.557 1.00 0.00 H new ATOM 0 HB2 ASN A1034 2.668 -3.169 -7.680 1.00 0.00 H new ATOM 0 HB3 ASN A1034 3.186 -3.650 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A1034 5.500 -5.728 -7.776 1.00 0.00 H new ATOM 0 HD22 ASN A1034 5.251 -4.262 -6.822 1.00 0.00 H new ATOM 1828 N LEU A1035 1.443 -4.926 -4.292 1.00 0.00 N ATOM 1829 CA LEU A1035 1.501 -5.768 -3.093 1.00 0.00 C ATOM 1830 C LEU A1035 0.156 -6.454 -2.840 1.00 0.00 C ATOM 1831 O LEU A1035 0.129 -7.594 -2.383 1.00 0.00 O ATOM 1832 CB LEU A1035 1.976 -4.939 -1.879 1.00 0.00 C ATOM 1833 CG LEU A1035 2.220 -5.688 -0.555 1.00 0.00 C ATOM 1834 CD1 LEU A1035 0.924 -5.976 0.176 1.00 0.00 C ATOM 1835 CD2 LEU A1035 3.001 -6.973 -0.790 1.00 0.00 C ATOM 0 H LEU A1035 1.509 -3.925 -4.110 1.00 0.00 H new ATOM 0 HA LEU A1035 2.232 -6.561 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.903 -4.437 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A1035 1.236 -4.161 -1.693 1.00 0.00 H new ATOM 0 HG LEU A1035 2.817 -5.033 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A1035 1.140 -6.505 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A1035 0.418 -5.038 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A1035 0.281 -6.593 -0.452 1.00 0.00 H new ATOM 0 HD21 LEU A1035 3.159 -7.482 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.439 -7.623 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A1035 3.965 -6.736 -1.239 1.00 0.00 H new ATOM 1847 N LEU A1036 -0.956 -5.794 -3.167 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.260 -6.430 -3.031 1.00 0.00 C ATOM 1849 C LEU A1036 -2.351 -7.597 -3.982 1.00 0.00 C ATOM 1850 O LEU A1036 -3.033 -8.555 -3.696 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.439 -5.449 -3.244 1.00 0.00 C ATOM 1852 CG LEU A1036 -3.645 -4.858 -4.648 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -4.376 -5.827 -5.566 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -4.417 -3.551 -4.554 1.00 0.00 C ATOM 0 H LEU A1036 -0.978 -4.838 -3.521 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.347 -6.783 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -4.357 -5.965 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.312 -4.619 -2.548 1.00 0.00 H new ATOM 0 HG LEU A1036 -2.660 -4.671 -5.077 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -4.502 -5.372 -6.549 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -3.796 -6.745 -5.663 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.354 -6.059 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -4.558 -3.139 -5.553 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -5.389 -3.735 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -3.858 -2.841 -3.945 1.00 0.00 H new ATOM 1866 N ASP A1037 -1.637 -7.502 -5.101 1.00 0.00 N ATOM 1867 CA ASP A1037 -1.591 -8.568 -6.100 1.00 0.00 C ATOM 1868 C ASP A1037 -0.523 -9.591 -5.707 1.00 0.00 C ATOM 1869 O ASP A1037 -0.685 -10.792 -5.894 1.00 0.00 O ATOM 1870 CB ASP A1037 -1.282 -7.957 -7.472 1.00 0.00 C ATOM 1871 CG ASP A1037 -1.425 -8.936 -8.617 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -2.564 -9.143 -9.088 1.00 0.00 O ATOM 1873 OD2 ASP A1037 -0.400 -9.472 -9.077 1.00 0.00 O ATOM 0 H ASP A1037 -1.075 -6.686 -5.341 1.00 0.00 H new ATOM 0 HA ASP A1037 -2.553 -9.077 -6.150 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -1.949 -7.112 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.265 -7.565 -7.465 1.00 0.00 H new ATOM 1878 N VAL A1038 0.571 -9.075 -5.168 1.00 0.00 N ATOM 1879 CA VAL A1038 1.644 -9.870 -4.577 1.00 0.00 C ATOM 1880 C VAL A1038 1.113 -10.843 -3.534 1.00 0.00 C ATOM 1881 O VAL A1038 1.397 -12.035 -3.595 1.00 0.00 O ATOM 1882 CB VAL A1038 2.686 -8.933 -3.927 1.00 0.00 C ATOM 1883 CG1 VAL A1038 3.516 -9.658 -2.881 1.00 0.00 C ATOM 1884 CG2 VAL A1038 3.585 -8.328 -4.994 1.00 0.00 C ATOM 0 H VAL A1038 0.744 -8.071 -5.127 1.00 0.00 H new ATOM 0 HA VAL A1038 2.109 -10.451 -5.374 1.00 0.00 H new ATOM 0 HB VAL A1038 2.146 -8.133 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A1038 4.238 -8.967 -2.446 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.861 -10.040 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A1038 4.045 -10.489 -3.348 1.00 0.00 H new ATOM 0 HG21 VAL A1038 4.315 -7.669 -4.524 1.00 0.00 H new ATOM 0 HG22 VAL A1038 4.105 -9.125 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.980 -7.756 -5.698 1.00 0.00 H new ATOM 1894 N ILE A1039 0.361 -10.333 -2.574 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.181 -11.172 -1.525 1.00 0.00 C ATOM 1896 C ILE A1039 -1.555 -11.724 -1.890 1.00 0.00 C ATOM 1897 O ILE A1039 -1.984 -12.732 -1.322 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.209 -10.478 -0.157 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -1.103 -9.251 -0.170 1.00 0.00 C ATOM 1900 CG2 ILE A1039 1.207 -10.098 0.260 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -1.104 -8.534 1.152 1.00 0.00 C ATOM 0 H ILE A1039 0.114 -9.346 -2.501 1.00 0.00 H new ATOM 0 HA ILE A1039 0.505 -12.014 -1.435 1.00 0.00 H new ATOM 0 HB ILE A1039 -0.624 -11.178 0.568 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -0.769 -8.568 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.121 -9.548 -0.421 1.00 0.00 H new ATOM 0 HG21 ILE A1039 1.180 -9.606 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.821 -10.997 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A1039 1.634 -9.420 -0.479 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.758 -7.664 1.093 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -1.464 -9.207 1.930 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.091 -8.211 1.392 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.259 -11.052 -2.806 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.323 -11.734 -3.559 1.00 0.00 C ATOM 1915 C ASP A1040 -2.796 -13.079 -4.004 1.00 0.00 C ATOM 1916 O ASP A1040 -3.397 -14.135 -3.771 1.00 0.00 O ATOM 1917 CB ASP A1040 -3.737 -10.929 -4.809 1.00 0.00 C ATOM 1918 CG ASP A1040 -4.807 -11.594 -5.667 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -4.539 -12.664 -6.251 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -5.919 -11.027 -5.787 1.00 0.00 O ATOM 0 H ASP A1040 -2.121 -10.069 -3.041 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.196 -11.838 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -4.100 -9.952 -4.492 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -2.853 -10.757 -5.423 1.00 0.00 H new ATOM 1925 N GLN A1041 -1.623 -13.023 -4.583 1.00 0.00 N ATOM 1926 CA GLN A1041 -0.941 -14.220 -5.016 1.00 0.00 C ATOM 1927 C GLN A1041 -0.280 -14.934 -3.853 1.00 0.00 C ATOM 1928 O GLN A1041 -0.086 -16.127 -3.924 1.00 0.00 O ATOM 1929 CB GLN A1041 0.089 -13.922 -6.090 1.00 0.00 C ATOM 1930 CG GLN A1041 -0.529 -13.552 -7.429 1.00 0.00 C ATOM 1931 CD GLN A1041 0.502 -13.167 -8.468 1.00 0.00 C ATOM 1932 OE1 GLN A1041 1.689 -13.737 -8.364 1.00 0.00 O flip ATOM 1933 NE2 GLN A1041 0.232 -12.369 -9.363 1.00 0.00 N flip ATOM 0 H GLN A1041 -1.117 -12.157 -4.767 1.00 0.00 H new ATOM 0 HA GLN A1041 -1.701 -14.876 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A1041 0.728 -13.105 -5.754 1.00 0.00 H new ATOM 0 HB3 GLN A1041 0.729 -14.794 -6.222 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -1.113 -14.395 -7.799 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.221 -12.722 -7.287 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -0.697 -11.950 -9.409 1.00 0.00 H new ATOM 0 HE22 GLN A1041 0.937 -12.126 -10.059 1.00 0.00 H new ATOM 1942 N ALA A1042 0.096 -14.210 -2.796 1.00 0.00 N ATOM 1943 CA ALA A1042 0.647 -14.833 -1.598 1.00 0.00 C ATOM 1944 C ALA A1042 -0.283 -15.896 -1.048 1.00 0.00 C ATOM 1945 O ALA A1042 0.110 -17.040 -0.869 1.00 0.00 O ATOM 1946 CB ALA A1042 0.908 -13.807 -0.522 1.00 0.00 C ATOM 0 H ALA A1042 0.028 -13.193 -2.749 1.00 0.00 H new ATOM 0 HA ALA A1042 1.588 -15.299 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A1042 1.318 -14.300 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.620 -13.068 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.026 -13.311 -0.258 1.00 0.00 H new ATOM 1952 N ARG A1043 -1.518 -15.521 -0.763 1.00 0.00 N ATOM 1953 CA ARG A1043 -2.502 -16.486 -0.303 1.00 0.00 C ATOM 1954 C ARG A1043 -2.669 -17.606 -1.331 1.00 0.00 C ATOM 1955 O ARG A1043 -2.933 -18.754 -0.972 1.00 0.00 O ATOM 1956 CB ARG A1043 -3.834 -15.790 -0.036 1.00 0.00 C ATOM 1957 CG ARG A1043 -4.347 -15.965 1.389 1.00 0.00 C ATOM 1958 CD ARG A1043 -3.353 -15.465 2.433 1.00 0.00 C ATOM 1959 NE ARG A1043 -3.981 -15.304 3.748 1.00 0.00 N ATOM 1960 CZ ARG A1043 -3.468 -15.748 4.897 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -2.299 -16.379 4.919 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -4.133 -15.544 6.026 1.00 0.00 N ATOM 0 H ARG A1043 -1.862 -14.564 -0.841 1.00 0.00 H new ATOM 0 HA ARG A1043 -2.153 -16.930 0.629 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -3.725 -14.726 -0.244 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -4.580 -16.176 -0.730 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.288 -15.427 1.501 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -4.559 -17.019 1.569 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.523 -16.167 2.510 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -2.935 -14.511 2.110 1.00 0.00 H new ATOM 0 HE ARG A1043 -4.876 -14.817 3.787 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -1.784 -16.528 4.052 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -1.917 -16.714 5.803 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -5.027 -15.052 6.010 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -3.751 -15.879 6.911 1.00 0.00 H new ATOM 1976 N LEU A1044 -2.508 -17.268 -2.605 1.00 0.00 N ATOM 1977 CA LEU A1044 -2.528 -18.267 -3.667 1.00 0.00 C ATOM 1978 C LEU A1044 -1.195 -19.021 -3.764 1.00 0.00 C ATOM 1979 O LEU A1044 -1.106 -20.037 -4.439 1.00 0.00 O ATOM 1980 CB LEU A1044 -2.878 -17.614 -5.004 1.00 0.00 C ATOM 1981 CG LEU A1044 -4.295 -17.045 -5.099 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -4.514 -16.387 -6.451 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -5.331 -18.136 -4.861 1.00 0.00 C ATOM 0 H LEU A1044 -2.362 -16.311 -2.928 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.298 -18.998 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -2.167 -16.810 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.746 -18.351 -5.796 1.00 0.00 H new ATOM 0 HG LEU A1044 -4.413 -16.288 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -5.527 -15.988 -6.501 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -3.797 -15.576 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -4.375 -17.125 -7.241 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -6.332 -17.710 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -5.215 -18.918 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -5.189 -18.562 -3.868 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.156 -18.512 -3.100 1.00 0.00 N ATOM 1996 CA LYS A1045 1.118 -19.221 -2.999 1.00 0.00 C ATOM 1997 C LYS A1045 0.951 -20.372 -2.048 1.00 0.00 C ATOM 1998 O LYS A1045 1.536 -21.437 -2.219 1.00 0.00 O ATOM 1999 CB LYS A1045 2.244 -18.317 -2.482 1.00 0.00 C ATOM 2000 CG LYS A1045 2.595 -17.163 -3.393 1.00 0.00 C ATOM 2001 CD LYS A1045 2.961 -17.646 -4.790 1.00 0.00 C ATOM 2002 CE LYS A1045 2.962 -16.511 -5.805 1.00 0.00 C ATOM 2003 NZ LYS A1045 3.998 -15.488 -5.512 1.00 0.00 N ATOM 0 H LYS A1045 -0.173 -17.610 -2.624 1.00 0.00 H new ATOM 0 HA LYS A1045 1.393 -19.563 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.955 -17.919 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A1045 3.136 -18.924 -2.326 1.00 0.00 H new ATOM 0 HG2 LYS A1045 1.751 -16.476 -3.454 1.00 0.00 H new ATOM 0 HG3 LYS A1045 3.430 -16.605 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A1045 3.946 -18.111 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A1045 2.254 -18.413 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A1045 3.130 -16.919 -6.802 1.00 0.00 H new ATOM 0 HE3 LYS A1045 1.981 -16.037 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 4.027 -14.792 -6.284 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 3.767 -15.006 -4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 4.926 -15.949 -5.427 1.00 0.00 H new ATOM 2017 N MET A1046 0.143 -20.138 -1.033 1.00 0.00 N ATOM 2018 CA MET A1046 -0.222 -21.196 -0.111 1.00 0.00 C ATOM 2019 C MET A1046 -1.059 -22.225 -0.857 1.00 0.00 C ATOM 2020 O MET A1046 -0.882 -23.430 -0.690 1.00 0.00 O ATOM 2021 CB MET A1046 -0.992 -20.637 1.083 1.00 0.00 C ATOM 2022 CG MET A1046 -1.331 -21.694 2.118 1.00 0.00 C ATOM 2023 SD MET A1046 -2.210 -21.031 3.548 1.00 0.00 S ATOM 2024 CE MET A1046 -0.920 -20.069 4.336 1.00 0.00 C ATOM 0 H MET A1046 -0.272 -19.229 -0.826 1.00 0.00 H new ATOM 0 HA MET A1046 0.681 -21.668 0.276 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.401 -19.852 1.554 1.00 0.00 H new ATOM 0 HB3 MET A1046 -1.913 -20.174 0.730 1.00 0.00 H new ATOM 0 HG2 MET A1046 -1.941 -22.468 1.652 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.411 -22.172 2.454 1.00 0.00 H new ATOM 0 HE1 MET A1046 -0.660 -20.523 5.292 1.00 0.00 H new ATOM 0 HE2 MET A1046 -0.039 -20.046 3.694 1.00 0.00 H new ATOM 0 HE3 MET A1046 -1.274 -19.052 4.502 1.00 0.00 H new ATOM 2034 N ILE A1047 -1.950 -21.721 -1.708 1.00 0.00 N ATOM 2035 CA ILE A1047 -2.719 -22.563 -2.616 1.00 0.00 C ATOM 2036 C ILE A1047 -1.772 -23.309 -3.558 1.00 0.00 C ATOM 2037 O ILE A1047 -2.003 -24.461 -3.913 1.00 0.00 O ATOM 2038 CB ILE A1047 -3.722 -21.721 -3.443 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -4.739 -21.044 -2.517 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -4.436 -22.582 -4.481 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -5.559 -22.015 -1.690 1.00 0.00 C ATOM 0 H ILE A1047 -2.157 -20.725 -1.786 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.284 -23.280 -2.020 1.00 0.00 H new ATOM 0 HB ILE A1047 -3.162 -20.950 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.210 -20.367 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.414 -20.434 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.134 -21.965 -5.047 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -3.702 -23.016 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -4.982 -23.380 -3.978 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -6.255 -21.460 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -6.117 -22.676 -2.353 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -4.895 -22.608 -1.061 1.00 0.00 H new ATOM 2053 N SER A1048 -0.686 -22.640 -3.928 1.00 0.00 N ATOM 2054 CA SER A1048 0.318 -23.200 -4.824 1.00 0.00 C ATOM 2055 C SER A1048 1.103 -24.316 -4.138 1.00 0.00 C ATOM 2056 O SER A1048 1.514 -25.284 -4.777 1.00 0.00 O ATOM 2057 CB SER A1048 1.275 -22.092 -5.287 1.00 0.00 C ATOM 2058 OG SER A1048 2.157 -22.555 -6.299 1.00 0.00 O ATOM 0 H SER A1048 -0.477 -21.692 -3.614 1.00 0.00 H new ATOM 0 HA SER A1048 -0.191 -23.625 -5.689 1.00 0.00 H new ATOM 0 HB2 SER A1048 0.699 -21.247 -5.664 1.00 0.00 H new ATOM 0 HB3 SER A1048 1.853 -21.730 -4.437 1.00 0.00 H new ATOM 0 HG SER A1048 2.752 -21.826 -6.573 1.00 0.00 H new ATOM 2064 N GLN A1049 1.314 -24.174 -2.836 1.00 0.00 N ATOM 2065 CA GLN A1049 2.077 -25.155 -2.081 1.00 0.00 C ATOM 2066 C GLN A1049 1.222 -26.383 -1.770 1.00 0.00 C ATOM 2067 O GLN A1049 1.733 -27.500 -1.672 1.00 0.00 O ATOM 2068 CB GLN A1049 2.618 -24.531 -0.792 1.00 0.00 C ATOM 2069 CG GLN A1049 3.585 -25.433 -0.035 1.00 0.00 C ATOM 2070 CD GLN A1049 4.761 -25.882 -0.883 1.00 0.00 C ATOM 2071 OE1 GLN A1049 5.792 -25.214 -0.941 1.00 0.00 O ATOM 2072 NE2 GLN A1049 4.615 -27.020 -1.545 1.00 0.00 N ATOM 0 H GLN A1049 0.968 -23.390 -2.283 1.00 0.00 H new ATOM 0 HA GLN A1049 2.922 -25.477 -2.690 1.00 0.00 H new ATOM 0 HB2 GLN A1049 3.122 -23.596 -1.035 1.00 0.00 H new ATOM 0 HB3 GLN A1049 1.781 -24.282 -0.140 1.00 0.00 H new ATOM 0 HG2 GLN A1049 3.957 -24.903 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A1049 3.048 -26.310 0.326 1.00 0.00 H new ATOM 0 HE21 GLN A1049 3.744 -27.545 -1.471 1.00 0.00 H new ATOM 0 HE22 GLN A1049 5.374 -27.371 -2.129 1.00 0.00 H new