USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 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 Single : A 1 MET CE :methyl 141:sc= -0.139 (180deg=-1.51) USER MOD Single : A 1 MET N :NH3+ -139:sc= -0.342 (180deg=-2.33!) USER MOD Single : A 3 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 5 TYR OH : rot -22:sc= 0.208 USER MOD Single : A 8 ASN : amide:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 163:sc= 1.09 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc=-0.000741 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0585 (180deg=-0.346) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 142:sc= -1.16 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 158:sc= 0.219 (180deg=0.0786) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 153:sc= -3.76! (180deg=-7.28!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 56:sc= -0.487 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.326 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.935 5.594 -15.338 1.00 0.00 N ATOM 2 CA MET A 1 2.031 4.408 -14.445 1.00 0.00 C ATOM 3 C MET A 1 3.212 4.533 -13.487 1.00 0.00 C ATOM 4 O MET A 1 4.347 4.220 -13.842 1.00 0.00 O ATOM 5 CB MET A 1 2.184 3.154 -15.309 1.00 0.00 C ATOM 6 CG MET A 1 1.100 3.005 -16.364 1.00 0.00 C ATOM 7 SD MET A 1 1.668 2.112 -17.824 1.00 0.00 S ATOM 8 CE MET A 1 2.338 0.630 -17.074 1.00 0.00 C ATOM 0 H1 MET A 1 0.938 5.870 -15.443 1.00 0.00 H new ATOM 0 H2 MET A 1 2.471 6.384 -14.925 1.00 0.00 H new ATOM 0 H3 MET A 1 2.329 5.359 -16.271 1.00 0.00 H new ATOM 0 HA MET A 1 1.124 4.341 -13.844 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.157 3.178 -15.801 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.175 2.275 -14.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.247 2.481 -15.932 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.750 3.993 -16.661 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.095 -0.233 -17.694 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.421 0.723 -16.989 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.906 0.497 -16.082 1.00 0.00 H new ATOM 20 N ARG A 2 2.935 4.994 -12.271 1.00 0.00 N ATOM 21 CA ARG A 2 3.974 5.160 -11.262 1.00 0.00 C ATOM 22 C ARG A 2 3.841 4.107 -10.167 1.00 0.00 C ATOM 23 O ARG A 2 3.079 3.150 -10.303 1.00 0.00 O ATOM 24 CB ARG A 2 3.901 6.561 -10.649 1.00 0.00 C ATOM 25 CG ARG A 2 3.727 7.669 -11.675 1.00 0.00 C ATOM 26 CD ARG A 2 5.066 8.160 -12.200 1.00 0.00 C ATOM 27 NE ARG A 2 4.977 8.613 -13.586 1.00 0.00 N ATOM 28 CZ ARG A 2 5.869 9.415 -14.164 1.00 0.00 C ATOM 29 NH1 ARG A 2 6.920 9.853 -13.480 1.00 0.00 N ATOM 30 NH2 ARG A 2 5.710 9.781 -15.429 1.00 0.00 N ATOM 0 H ARG A 2 2.000 5.259 -11.961 1.00 0.00 H new ATOM 0 HA ARG A 2 4.941 5.034 -11.748 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.070 6.597 -9.944 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.811 6.746 -10.078 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.121 7.305 -12.505 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.185 8.501 -11.225 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.423 8.977 -11.574 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.800 7.358 -12.127 1.00 0.00 H new ATOM 0 HE ARG A 2 4.184 8.296 -14.144 1.00 0.00 H new ATOM 0 HH11 ARG A 2 7.047 9.575 -12.507 1.00 0.00 H new ATOM 0 HH12 ARG A 2 7.600 10.467 -13.928 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.904 9.448 -15.959 1.00 0.00 H new ATOM 0 HH22 ARG A 2 6.393 10.395 -15.872 1.00 0.00 H new ATOM 44 N ASN A 3 4.589 4.288 -9.083 1.00 0.00 N ATOM 45 CA ASN A 3 4.554 3.351 -7.965 1.00 0.00 C ATOM 46 C ASN A 3 4.153 4.059 -6.674 1.00 0.00 C ATOM 47 O ASN A 3 4.419 5.247 -6.497 1.00 0.00 O ATOM 48 CB ASN A 3 5.919 2.681 -7.794 1.00 0.00 C ATOM 49 CG ASN A 3 5.974 1.312 -8.442 1.00 0.00 C ATOM 50 OD1 ASN A 3 6.801 1.059 -9.318 1.00 0.00 O ATOM 51 ND2 ASN A 3 5.091 0.418 -8.012 1.00 0.00 N ATOM 0 H ASN A 3 5.226 5.074 -8.955 1.00 0.00 H new ATOM 0 HA ASN A 3 3.808 2.587 -8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.690 3.317 -8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.144 2.587 -6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.081 -0.521 -8.410 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.423 0.670 -7.284 1.00 0.00 H new ATOM 58 N ILE A 4 3.511 3.318 -5.775 1.00 0.00 N ATOM 59 CA ILE A 4 3.073 3.873 -4.500 1.00 0.00 C ATOM 60 C ILE A 4 3.774 3.187 -3.332 1.00 0.00 C ATOM 61 O ILE A 4 3.645 1.979 -3.140 1.00 0.00 O ATOM 62 CB ILE A 4 1.548 3.733 -4.318 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.816 4.160 -5.591 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.079 4.556 -3.129 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.655 3.803 -5.591 1.00 0.00 C ATOM 0 H ILE A 4 3.283 2.333 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 4 3.336 4.931 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 4 1.316 2.686 -4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.920 5.238 -5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.295 3.692 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.001 4.447 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.578 4.206 -2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.322 5.606 -3.295 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.110 4.136 -6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.767 2.723 -5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.148 4.293 -4.752 1.00 0.00 H new ATOM 77 N TYR A 5 4.518 3.968 -2.555 1.00 0.00 N ATOM 78 CA TYR A 5 5.241 3.436 -1.404 1.00 0.00 C ATOM 79 C TYR A 5 4.441 3.629 -0.119 1.00 0.00 C ATOM 80 O TYR A 5 3.971 4.728 0.172 1.00 0.00 O ATOM 81 CB TYR A 5 6.607 4.115 -1.278 1.00 0.00 C ATOM 82 CG TYR A 5 7.414 3.644 -0.089 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.923 2.352 -0.037 1.00 0.00 C ATOM 84 CD2 TYR A 5 7.667 4.491 0.983 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.660 1.919 1.048 1.00 0.00 C ATOM 86 CE2 TYR A 5 8.403 4.065 2.071 1.00 0.00 C ATOM 87 CZ TYR A 5 8.897 2.778 2.099 1.00 0.00 C ATOM 88 OH TYR A 5 9.632 2.350 3.181 1.00 0.00 O ATOM 0 H TYR A 5 4.636 4.971 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 5 5.386 2.367 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.178 3.933 -2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.461 5.193 -1.203 1.00 0.00 H new ATOM 0 HD1 TYR A 5 7.739 1.675 -0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.281 5.500 0.965 1.00 0.00 H new ATOM 0 HE1 TYR A 5 9.049 0.912 1.072 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.591 4.736 2.896 1.00 0.00 H new ATOM 0 HH TYR A 5 9.615 1.371 3.222 1.00 0.00 H new ATOM 98 N VAL A 6 4.292 2.552 0.646 1.00 0.00 N ATOM 99 CA VAL A 6 3.553 2.601 1.903 1.00 0.00 C ATOM 100 C VAL A 6 4.424 2.138 3.067 1.00 0.00 C ATOM 101 O VAL A 6 5.149 1.151 2.955 1.00 0.00 O ATOM 102 CB VAL A 6 2.279 1.731 1.842 1.00 0.00 C ATOM 103 CG1 VAL A 6 2.630 0.250 1.790 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.373 2.033 3.026 1.00 0.00 C ATOM 0 H VAL A 6 4.673 1.634 0.417 1.00 0.00 H new ATOM 0 HA VAL A 6 3.262 3.639 2.062 1.00 0.00 H new ATOM 0 HB VAL A 6 1.741 1.977 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.714 -0.340 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.232 0.050 0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.195 -0.021 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.479 1.412 2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.904 1.820 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.086 3.084 3.005 1.00 0.00 H new ATOM 114 N GLY A 7 4.347 2.856 4.182 1.00 0.00 N ATOM 115 CA GLY A 7 5.136 2.499 5.347 1.00 0.00 C ATOM 116 C GLY A 7 4.284 2.291 6.583 1.00 0.00 C ATOM 117 O GLY A 7 3.074 2.518 6.556 1.00 0.00 O ATOM 0 H GLY A 7 3.754 3.677 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.695 1.587 5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.867 3.284 5.541 1.00 0.00 H new ATOM 121 N ASN A 8 4.917 1.860 7.668 1.00 0.00 N ATOM 122 CA ASN A 8 4.211 1.622 8.923 1.00 0.00 C ATOM 123 C ASN A 8 3.160 0.526 8.760 1.00 0.00 C ATOM 124 O ASN A 8 2.176 0.486 9.499 1.00 0.00 O ATOM 125 CB ASN A 8 3.553 2.913 9.414 1.00 0.00 C ATOM 126 CG ASN A 8 4.221 3.465 10.659 1.00 0.00 C ATOM 127 OD1 ASN A 8 3.568 3.700 11.676 1.00 0.00 O ATOM 128 ND2 ASN A 8 5.530 3.674 10.584 1.00 0.00 N ATOM 0 H ASN A 8 5.918 1.668 7.705 1.00 0.00 H new ATOM 0 HA ASN A 8 4.939 1.290 9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.591 3.661 8.622 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.500 2.724 9.623 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.034 4.044 11.390 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.031 3.465 9.721 1.00 0.00 H new ATOM 135 N LEU A 9 3.375 -0.362 7.793 1.00 0.00 N ATOM 136 CA LEU A 9 2.444 -1.456 7.543 1.00 0.00 C ATOM 137 C LEU A 9 2.313 -2.345 8.777 1.00 0.00 C ATOM 138 O LEU A 9 3.300 -2.636 9.452 1.00 0.00 O ATOM 139 CB LEU A 9 2.909 -2.279 6.337 1.00 0.00 C ATOM 140 CG LEU A 9 2.212 -1.947 5.012 1.00 0.00 C ATOM 141 CD1 LEU A 9 0.824 -2.563 4.973 1.00 0.00 C ATOM 142 CD2 LEU A 9 2.132 -0.441 4.806 1.00 0.00 C ATOM 0 H LEU A 9 4.184 -0.345 7.172 1.00 0.00 H new ATOM 0 HA LEU A 9 1.464 -1.033 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.982 -2.135 6.211 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.753 -3.335 6.556 1.00 0.00 H new ATOM 0 HG LEU A 9 2.803 -2.371 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.343 -2.318 4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.904 -3.646 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.228 -2.168 5.795 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.634 -0.229 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.567 0.008 5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.138 -0.022 4.788 1.00 0.00 H new ATOM 154 N VAL A 10 1.085 -2.761 9.074 1.00 0.00 N ATOM 155 CA VAL A 10 0.823 -3.602 10.237 1.00 0.00 C ATOM 156 C VAL A 10 0.619 -5.064 9.841 1.00 0.00 C ATOM 157 O VAL A 10 0.365 -5.375 8.677 1.00 0.00 O ATOM 158 CB VAL A 10 -0.409 -3.099 11.016 1.00 0.00 C ATOM 159 CG1 VAL A 10 -1.667 -3.205 10.169 1.00 0.00 C ATOM 160 CG2 VAL A 10 -0.569 -3.862 12.323 1.00 0.00 C ATOM 0 H VAL A 10 0.257 -2.529 8.526 1.00 0.00 H new ATOM 0 HA VAL A 10 1.701 -3.539 10.880 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.252 -2.047 11.255 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.522 -2.844 10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.552 -2.601 9.269 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.831 -4.246 9.889 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.444 -3.491 12.856 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.696 -4.924 12.111 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.319 -3.719 12.939 1.00 0.00 H new ATOM 170 N TYR A 11 0.741 -5.957 10.823 1.00 0.00 N ATOM 171 CA TYR A 11 0.585 -7.395 10.602 1.00 0.00 C ATOM 172 C TYR A 11 -0.609 -7.714 9.702 1.00 0.00 C ATOM 173 O TYR A 11 -0.596 -8.708 8.976 1.00 0.00 O ATOM 174 CB TYR A 11 0.426 -8.117 11.940 1.00 0.00 C ATOM 175 CG TYR A 11 1.481 -7.749 12.959 1.00 0.00 C ATOM 176 CD1 TYR A 11 2.791 -8.190 12.821 1.00 0.00 C ATOM 177 CD2 TYR A 11 1.166 -6.958 14.057 1.00 0.00 C ATOM 178 CE1 TYR A 11 3.757 -7.856 13.750 1.00 0.00 C ATOM 179 CE2 TYR A 11 2.128 -6.620 14.991 1.00 0.00 C ATOM 180 CZ TYR A 11 3.421 -7.070 14.832 1.00 0.00 C ATOM 181 OH TYR A 11 4.381 -6.734 15.760 1.00 0.00 O ATOM 0 H TYR A 11 0.950 -5.706 11.789 1.00 0.00 H new ATOM 0 HA TYR A 11 1.485 -7.744 10.096 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.558 -7.890 12.351 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.459 -9.193 11.768 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.058 -8.804 11.974 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.154 -6.602 14.183 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.771 -8.209 13.630 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.867 -6.006 15.841 1.00 0.00 H new ATOM 0 HH TYR A 11 3.980 -6.176 16.458 1.00 0.00 H new ATOM 191 N SER A 12 -1.634 -6.872 9.749 1.00 0.00 N ATOM 192 CA SER A 12 -2.822 -7.080 8.930 1.00 0.00 C ATOM 193 C SER A 12 -2.777 -6.178 7.708 1.00 0.00 C ATOM 194 O SER A 12 -2.562 -6.638 6.587 1.00 0.00 O ATOM 195 CB SER A 12 -4.088 -6.800 9.743 1.00 0.00 C ATOM 196 OG SER A 12 -4.588 -7.988 10.333 1.00 0.00 O ATOM 0 H SER A 12 -1.667 -6.043 10.342 1.00 0.00 H new ATOM 0 HA SER A 12 -2.842 -8.120 8.603 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.870 -6.068 10.521 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.849 -6.362 9.097 1.00 0.00 H new ATOM 0 HG SER A 12 -5.396 -7.782 10.848 1.00 0.00 H new ATOM 202 N ALA A 13 -2.971 -4.885 7.941 1.00 0.00 N ATOM 203 CA ALA A 13 -2.944 -3.895 6.880 1.00 0.00 C ATOM 204 C ALA A 13 -4.226 -3.925 6.059 1.00 0.00 C ATOM 205 O ALA A 13 -4.780 -4.990 5.782 1.00 0.00 O ATOM 206 CB ALA A 13 -1.729 -4.095 5.985 1.00 0.00 C ATOM 0 H ALA A 13 -3.150 -4.498 8.868 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.870 -2.913 7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.730 -3.342 5.197 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.820 -3.998 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.766 -5.088 5.538 1.00 0.00 H new ATOM 212 N THR A 14 -4.686 -2.744 5.674 1.00 0.00 N ATOM 213 CA THR A 14 -5.898 -2.607 4.882 1.00 0.00 C ATOM 214 C THR A 14 -5.553 -2.252 3.442 1.00 0.00 C ATOM 215 O THR A 14 -6.307 -2.563 2.520 1.00 0.00 O ATOM 216 CB THR A 14 -6.806 -1.532 5.479 1.00 0.00 C ATOM 217 OG1 THR A 14 -6.739 -1.548 6.894 1.00 0.00 O ATOM 218 CG2 THR A 14 -8.260 -1.690 5.087 1.00 0.00 C ATOM 0 H THR A 14 -4.233 -1.859 5.900 1.00 0.00 H new ATOM 0 HA THR A 14 -6.426 -3.561 4.894 1.00 0.00 H new ATOM 0 HB THR A 14 -6.438 -0.588 5.076 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.097 -0.707 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.849 -0.895 5.545 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.353 -1.632 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.627 -2.657 5.431 1.00 0.00 H new ATOM 226 N SER A 15 -4.406 -1.606 3.253 1.00 0.00 N ATOM 227 CA SER A 15 -3.964 -1.223 1.921 1.00 0.00 C ATOM 228 C SER A 15 -3.684 -2.463 1.087 1.00 0.00 C ATOM 229 O SER A 15 -4.124 -2.571 -0.057 1.00 0.00 O ATOM 230 CB SER A 15 -2.715 -0.344 2.000 1.00 0.00 C ATOM 231 OG SER A 15 -2.748 0.680 1.019 1.00 0.00 O ATOM 0 H SER A 15 -3.770 -1.339 4.004 1.00 0.00 H new ATOM 0 HA SER A 15 -4.758 -0.649 1.444 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.642 0.101 2.992 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.825 -0.958 1.860 1.00 0.00 H new ATOM 0 HG SER A 15 -1.939 1.229 1.092 1.00 0.00 H new ATOM 237 N GLU A 16 -2.966 -3.409 1.680 1.00 0.00 N ATOM 238 CA GLU A 16 -2.648 -4.658 1.003 1.00 0.00 C ATOM 239 C GLU A 16 -3.875 -5.566 0.977 1.00 0.00 C ATOM 240 O GLU A 16 -3.909 -6.560 0.253 1.00 0.00 O ATOM 241 CB GLU A 16 -1.487 -5.366 1.703 1.00 0.00 C ATOM 242 CG GLU A 16 -1.142 -6.718 1.095 1.00 0.00 C ATOM 243 CD GLU A 16 -1.563 -7.878 1.977 1.00 0.00 C ATOM 244 OE1 GLU A 16 -1.399 -7.775 3.211 1.00 0.00 O ATOM 245 OE2 GLU A 16 -2.057 -8.888 1.434 1.00 0.00 O ATOM 0 H GLU A 16 -2.594 -3.334 2.627 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.351 -4.432 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.606 -4.725 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.737 -5.503 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.628 -6.810 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.067 -6.770 0.920 1.00 0.00 H new ATOM 252 N GLN A 17 -4.883 -5.209 1.771 1.00 0.00 N ATOM 253 CA GLN A 17 -6.115 -5.982 1.840 1.00 0.00 C ATOM 254 C GLN A 17 -7.124 -5.471 0.817 1.00 0.00 C ATOM 255 O GLN A 17 -7.813 -6.253 0.163 1.00 0.00 O ATOM 256 CB GLN A 17 -6.705 -5.905 3.252 1.00 0.00 C ATOM 257 CG GLN A 17 -8.046 -6.609 3.397 1.00 0.00 C ATOM 258 CD GLN A 17 -7.939 -7.910 4.167 1.00 0.00 C ATOM 259 OE1 GLN A 17 -8.645 -8.120 5.155 1.00 0.00 O ATOM 260 NE2 GLN A 17 -7.054 -8.793 3.719 1.00 0.00 N ATOM 0 H GLN A 17 -4.868 -4.387 2.375 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.887 -7.023 1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.997 -6.343 3.956 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.823 -4.858 3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.747 -5.947 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.456 -6.809 2.407 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.490 -8.578 2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.938 -9.687 4.197 1.00 0.00 H new ATOM 269 N VAL A 18 -7.202 -4.151 0.689 1.00 0.00 N ATOM 270 CA VAL A 18 -8.125 -3.526 -0.251 1.00 0.00 C ATOM 271 C VAL A 18 -7.595 -3.585 -1.685 1.00 0.00 C ATOM 272 O VAL A 18 -8.286 -3.184 -2.623 1.00 0.00 O ATOM 273 CB VAL A 18 -8.395 -2.056 0.128 1.00 0.00 C ATOM 274 CG1 VAL A 18 -7.110 -1.241 0.075 1.00 0.00 C ATOM 275 CG2 VAL A 18 -9.454 -1.453 -0.784 1.00 0.00 C ATOM 0 H VAL A 18 -6.637 -3.493 1.225 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.057 -4.089 -0.197 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.771 -2.030 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.324 -0.207 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.386 -1.657 0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.699 -1.274 -0.934 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.630 -0.415 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.110 -1.493 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.381 -2.018 -0.688 1.00 0.00 H new ATOM 285 N LYS A 19 -6.371 -4.083 -1.853 1.00 0.00 N ATOM 286 CA LYS A 19 -5.766 -4.187 -3.179 1.00 0.00 C ATOM 287 C LYS A 19 -6.685 -4.932 -4.141 1.00 0.00 C ATOM 288 O LYS A 19 -6.772 -4.590 -5.322 1.00 0.00 O ATOM 289 CB LYS A 19 -4.415 -4.899 -3.092 1.00 0.00 C ATOM 290 CG LYS A 19 -4.515 -6.346 -2.641 1.00 0.00 C ATOM 291 CD LYS A 19 -3.144 -6.990 -2.523 1.00 0.00 C ATOM 292 CE LYS A 19 -3.242 -8.506 -2.484 1.00 0.00 C ATOM 293 NZ LYS A 19 -1.907 -9.146 -2.322 1.00 0.00 N ATOM 0 H LYS A 19 -5.782 -4.419 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.613 -3.177 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.933 -4.865 -4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.772 -4.356 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.024 -6.394 -1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.122 -6.908 -3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.524 -6.686 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -2.650 -6.633 -1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.891 -8.807 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.707 -8.863 -3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.018 -10.180 -2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.295 -8.880 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.474 -8.825 -1.432 1.00 0.00 H new ATOM 307 N GLU A 20 -7.372 -5.947 -3.629 1.00 0.00 N ATOM 308 CA GLU A 20 -8.289 -6.737 -4.441 1.00 0.00 C ATOM 309 C GLU A 20 -9.395 -5.858 -5.015 1.00 0.00 C ATOM 310 O GLU A 20 -9.901 -6.111 -6.109 1.00 0.00 O ATOM 311 CB GLU A 20 -8.899 -7.867 -3.609 1.00 0.00 C ATOM 312 CG GLU A 20 -8.074 -9.143 -3.620 1.00 0.00 C ATOM 313 CD GLU A 20 -8.920 -10.383 -3.841 1.00 0.00 C ATOM 314 OE1 GLU A 20 -10.091 -10.387 -3.410 1.00 0.00 O ATOM 315 OE2 GLU A 20 -8.409 -11.349 -4.447 1.00 0.00 O ATOM 0 H GLU A 20 -7.311 -6.242 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.725 -7.170 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.015 -7.528 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.898 -8.087 -3.986 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.320 -9.077 -4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.541 -9.235 -2.673 1.00 0.00 H new ATOM 322 N LEU A 21 -9.764 -4.821 -4.269 1.00 0.00 N ATOM 323 CA LEU A 21 -10.807 -3.899 -4.701 1.00 0.00 C ATOM 324 C LEU A 21 -10.212 -2.746 -5.504 1.00 0.00 C ATOM 325 O LEU A 21 -10.866 -2.189 -6.384 1.00 0.00 O ATOM 326 CB LEU A 21 -11.569 -3.356 -3.492 1.00 0.00 C ATOM 327 CG LEU A 21 -12.869 -2.618 -3.823 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.946 -2.945 -2.801 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.627 -1.117 -3.883 1.00 0.00 C ATOM 0 H LEU A 21 -9.355 -4.599 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.500 -4.445 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.800 -4.186 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.914 -2.679 -2.943 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.214 -2.952 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.862 -2.411 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.139 -4.018 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.611 -2.641 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.561 -0.607 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.258 -0.769 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.889 -0.898 -4.654 1.00 0.00 H new ATOM 341 N PHE A 22 -8.967 -2.396 -5.194 1.00 0.00 N ATOM 342 CA PHE A 22 -8.282 -1.311 -5.889 1.00 0.00 C ATOM 343 C PHE A 22 -8.221 -1.577 -7.392 1.00 0.00 C ATOM 344 O PHE A 22 -8.133 -0.647 -8.192 1.00 0.00 O ATOM 345 CB PHE A 22 -6.869 -1.128 -5.330 1.00 0.00 C ATOM 346 CG PHE A 22 -6.696 0.137 -4.539 1.00 0.00 C ATOM 347 CD1 PHE A 22 -7.025 1.365 -5.089 1.00 0.00 C ATOM 348 CD2 PHE A 22 -6.207 0.098 -3.243 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.868 2.530 -4.363 1.00 0.00 C ATOM 350 CE2 PHE A 22 -6.048 1.261 -2.512 1.00 0.00 C ATOM 351 CZ PHE A 22 -6.379 2.479 -3.073 1.00 0.00 C ATOM 0 H PHE A 22 -8.412 -2.848 -4.467 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.849 -0.395 -5.725 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.625 -1.980 -4.695 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.157 -1.131 -6.155 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.409 1.412 -6.097 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -5.947 -0.851 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.128 3.481 -4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.665 1.217 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.256 3.389 -2.504 1.00 0.00 H new ATOM 361 N SER A 23 -8.268 -2.853 -7.765 1.00 0.00 N ATOM 362 CA SER A 23 -8.218 -3.239 -9.170 1.00 0.00 C ATOM 363 C SER A 23 -9.473 -2.783 -9.906 1.00 0.00 C ATOM 364 O SER A 23 -9.408 -2.350 -11.056 1.00 0.00 O ATOM 365 CB SER A 23 -8.057 -4.755 -9.299 1.00 0.00 C ATOM 366 OG SER A 23 -7.186 -5.262 -8.304 1.00 0.00 O ATOM 0 H SER A 23 -8.341 -3.635 -7.114 1.00 0.00 H new ATOM 0 HA SER A 23 -7.356 -2.750 -9.624 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.031 -5.236 -9.213 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.667 -5.000 -10.287 1.00 0.00 H new ATOM 0 HG SER A 23 -7.101 -6.233 -8.407 1.00 0.00 H new ATOM 372 N GLN A 24 -10.613 -2.882 -9.234 1.00 0.00 N ATOM 373 CA GLN A 24 -11.885 -2.479 -9.821 1.00 0.00 C ATOM 374 C GLN A 24 -12.185 -1.009 -9.534 1.00 0.00 C ATOM 375 O GLN A 24 -13.146 -0.450 -10.062 1.00 0.00 O ATOM 376 CB GLN A 24 -13.018 -3.361 -9.286 1.00 0.00 C ATOM 377 CG GLN A 24 -13.610 -4.291 -10.331 1.00 0.00 C ATOM 378 CD GLN A 24 -14.947 -3.804 -10.855 1.00 0.00 C ATOM 379 OE1 GLN A 24 -15.053 -2.698 -11.386 1.00 0.00 O ATOM 380 NE2 GLN A 24 -15.977 -4.630 -10.708 1.00 0.00 N ATOM 0 H GLN A 24 -10.683 -3.238 -8.281 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.812 -2.606 -10.901 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.642 -3.956 -8.454 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.808 -2.723 -8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.912 -4.389 -11.162 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -13.733 -5.285 -9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.843 -5.537 -10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -16.901 -4.357 -11.041 1.00 0.00 H new ATOM 389 N PHE A 25 -11.363 -0.387 -8.691 1.00 0.00 N ATOM 390 CA PHE A 25 -11.554 1.015 -8.339 1.00 0.00 C ATOM 391 C PHE A 25 -10.557 1.910 -9.067 1.00 0.00 C ATOM 392 O PHE A 25 -10.835 3.083 -9.316 1.00 0.00 O ATOM 393 CB PHE A 25 -11.414 1.203 -6.826 1.00 0.00 C ATOM 394 CG PHE A 25 -12.384 2.198 -6.255 1.00 0.00 C ATOM 395 CD1 PHE A 25 -13.745 2.061 -6.472 1.00 0.00 C ATOM 396 CD2 PHE A 25 -11.933 3.269 -5.500 1.00 0.00 C ATOM 397 CE1 PHE A 25 -14.640 2.974 -5.948 1.00 0.00 C ATOM 398 CE2 PHE A 25 -12.823 4.185 -4.973 1.00 0.00 C ATOM 399 CZ PHE A 25 -14.179 4.037 -5.197 1.00 0.00 C ATOM 0 H PHE A 25 -10.562 -0.831 -8.242 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.559 1.304 -8.648 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -11.559 0.242 -6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.398 1.527 -6.600 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.111 1.231 -7.058 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.875 3.389 -5.322 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.699 2.856 -6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -12.460 5.016 -4.387 1.00 0.00 H new ATOM 0 HZ PHE A 25 -14.877 4.751 -4.785 1.00 0.00 H new ATOM 409 N GLY A 26 -9.395 1.358 -9.406 1.00 0.00 N ATOM 410 CA GLY A 26 -8.385 2.142 -10.099 1.00 0.00 C ATOM 411 C GLY A 26 -7.432 1.299 -10.928 1.00 0.00 C ATOM 412 O GLY A 26 -6.342 1.755 -11.271 1.00 0.00 O ATOM 0 H GLY A 26 -9.135 0.390 -9.216 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.879 2.864 -10.749 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.812 2.711 -9.367 1.00 0.00 H new ATOM 416 N LYS A 27 -7.843 0.073 -11.257 1.00 0.00 N ATOM 417 CA LYS A 27 -7.023 -0.836 -12.058 1.00 0.00 C ATOM 418 C LYS A 27 -5.555 -0.809 -11.629 1.00 0.00 C ATOM 419 O LYS A 27 -4.797 0.077 -12.024 1.00 0.00 O ATOM 420 CB LYS A 27 -7.140 -0.489 -13.544 1.00 0.00 C ATOM 421 CG LYS A 27 -6.947 0.988 -13.847 1.00 0.00 C ATOM 422 CD LYS A 27 -6.945 1.252 -15.345 1.00 0.00 C ATOM 423 CE LYS A 27 -7.247 2.708 -15.655 1.00 0.00 C ATOM 424 NZ LYS A 27 -8.702 3.010 -15.541 1.00 0.00 N ATOM 0 H LYS A 27 -8.745 -0.314 -10.979 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.399 -1.845 -11.891 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.400 -1.064 -14.101 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.121 -0.799 -13.904 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.743 1.565 -13.376 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.007 1.330 -13.415 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.974 0.984 -15.761 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.686 0.615 -15.829 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.689 3.348 -14.972 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.905 2.943 -16.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.867 4.013 -15.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.233 2.418 -16.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.023 2.810 -14.572 1.00 0.00 H new ATOM 438 N VAL A 28 -5.160 -1.791 -10.826 1.00 0.00 N ATOM 439 CA VAL A 28 -3.786 -1.883 -10.349 1.00 0.00 C ATOM 440 C VAL A 28 -3.018 -2.967 -11.100 1.00 0.00 C ATOM 441 O VAL A 28 -3.517 -4.077 -11.287 1.00 0.00 O ATOM 442 CB VAL A 28 -3.735 -2.180 -8.836 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.385 -3.520 -8.526 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.300 -2.144 -8.330 1.00 0.00 C ATOM 0 H VAL A 28 -5.773 -2.535 -10.492 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.318 -0.916 -10.535 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.298 -1.404 -8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.337 -3.708 -7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.427 -3.501 -8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.857 -4.312 -9.057 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.286 -2.356 -7.261 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.710 -2.894 -8.856 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.875 -1.156 -8.510 1.00 0.00 H new ATOM 454 N PHE A 29 -1.806 -2.638 -11.529 1.00 0.00 N ATOM 455 CA PHE A 29 -0.972 -3.583 -12.262 1.00 0.00 C ATOM 456 C PHE A 29 -0.496 -4.712 -11.353 1.00 0.00 C ATOM 457 O PHE A 29 -0.558 -5.885 -11.720 1.00 0.00 O ATOM 458 CB PHE A 29 0.230 -2.865 -12.877 1.00 0.00 C ATOM 459 CG PHE A 29 -0.151 -1.763 -13.825 1.00 0.00 C ATOM 460 CD1 PHE A 29 -0.514 -2.049 -15.131 1.00 0.00 C ATOM 461 CD2 PHE A 29 -0.147 -0.442 -13.410 1.00 0.00 C ATOM 462 CE1 PHE A 29 -0.866 -1.038 -16.005 1.00 0.00 C ATOM 463 CE2 PHE A 29 -0.496 0.574 -14.278 1.00 0.00 C ATOM 464 CZ PHE A 29 -0.857 0.275 -15.578 1.00 0.00 C ATOM 0 H PHE A 29 -1.378 -1.724 -11.382 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.575 -4.016 -13.060 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.843 -2.450 -12.077 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.846 -3.592 -13.406 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.522 -3.074 -15.470 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.133 -0.203 -12.395 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.148 -1.275 -17.020 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.487 1.600 -13.941 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.132 1.067 -16.259 1.00 0.00 H new ATOM 474 N ASN A 30 -0.021 -4.352 -10.164 1.00 0.00 N ATOM 475 CA ASN A 30 0.464 -5.339 -9.206 1.00 0.00 C ATOM 476 C ASN A 30 0.649 -4.716 -7.825 1.00 0.00 C ATOM 477 O ASN A 30 0.803 -3.502 -7.696 1.00 0.00 O ATOM 478 CB ASN A 30 1.785 -5.941 -9.690 1.00 0.00 C ATOM 479 CG ASN A 30 1.795 -7.455 -9.604 1.00 0.00 C ATOM 480 OD1 ASN A 30 2.165 -8.028 -8.579 1.00 0.00 O ATOM 481 ND2 ASN A 30 1.389 -8.111 -10.684 1.00 0.00 N ATOM 0 H ASN A 30 0.038 -3.386 -9.842 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.282 -6.130 -9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.964 -5.637 -10.721 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.604 -5.540 -9.093 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.375 -9.131 -10.686 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.091 -7.595 -11.512 1.00 0.00 H new ATOM 488 N VAL A 31 0.631 -5.558 -6.797 1.00 0.00 N ATOM 489 CA VAL A 31 0.796 -5.094 -5.425 1.00 0.00 C ATOM 490 C VAL A 31 1.516 -6.137 -4.575 1.00 0.00 C ATOM 491 O VAL A 31 1.134 -7.307 -4.558 1.00 0.00 O ATOM 492 CB VAL A 31 -0.562 -4.768 -4.774 1.00 0.00 C ATOM 493 CG1 VAL A 31 -0.363 -4.111 -3.417 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.392 -3.881 -5.690 1.00 0.00 C ATOM 0 H VAL A 31 0.504 -6.566 -6.889 1.00 0.00 H new ATOM 0 HA VAL A 31 1.397 -4.186 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.104 -5.701 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.334 -3.889 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.188 -4.787 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.200 -3.186 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.348 -3.661 -5.215 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.857 -2.950 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.567 -4.396 -6.635 1.00 0.00 H new ATOM 504 N LYS A 32 2.559 -5.706 -3.872 1.00 0.00 N ATOM 505 CA LYS A 32 3.331 -6.606 -3.022 1.00 0.00 C ATOM 506 C LYS A 32 4.078 -5.831 -1.941 1.00 0.00 C ATOM 507 O LYS A 32 4.638 -4.766 -2.201 1.00 0.00 O ATOM 508 CB LYS A 32 4.322 -7.412 -3.866 1.00 0.00 C ATOM 509 CG LYS A 32 3.828 -8.806 -4.219 1.00 0.00 C ATOM 510 CD LYS A 32 4.363 -9.847 -3.249 1.00 0.00 C ATOM 511 CE LYS A 32 5.836 -10.133 -3.495 1.00 0.00 C ATOM 512 NZ LYS A 32 6.063 -10.783 -4.815 1.00 0.00 N ATOM 0 H LYS A 32 2.889 -4.741 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 32 2.636 -7.290 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.531 -6.866 -4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.264 -7.496 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.738 -8.821 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.139 -9.058 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.225 -9.497 -2.226 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.790 -10.769 -3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.399 -9.201 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.218 -10.777 -2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.001 -11.232 -4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.332 -11.505 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.015 -10.067 -5.567 1.00 0.00 H new ATOM 526 N LEU A 33 4.084 -6.375 -0.727 1.00 0.00 N ATOM 527 CA LEU A 33 4.767 -5.737 0.395 1.00 0.00 C ATOM 528 C LEU A 33 5.733 -6.710 1.065 1.00 0.00 C ATOM 529 O LEU A 33 5.491 -7.917 1.098 1.00 0.00 O ATOM 530 CB LEU A 33 3.754 -5.214 1.423 1.00 0.00 C ATOM 531 CG LEU A 33 2.336 -5.777 1.298 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.554 -5.534 2.580 1.00 0.00 C ATOM 533 CD2 LEU A 33 1.621 -5.157 0.106 1.00 0.00 C ATOM 0 H LEU A 33 3.624 -7.255 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 33 5.336 -4.893 0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.128 -5.438 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.704 -4.129 1.338 1.00 0.00 H new ATOM 0 HG LEU A 33 2.402 -6.853 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.548 -5.940 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.058 -6.025 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.495 -4.463 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.614 -5.568 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.563 -4.077 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.173 -5.382 -0.807 1.00 0.00 H new ATOM 545 N ILE A 34 6.826 -6.176 1.599 1.00 0.00 N ATOM 546 CA ILE A 34 7.828 -6.997 2.269 1.00 0.00 C ATOM 547 C ILE A 34 7.251 -7.655 3.517 1.00 0.00 C ATOM 548 O ILE A 34 6.092 -7.433 3.869 1.00 0.00 O ATOM 549 CB ILE A 34 9.065 -6.166 2.662 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.659 -4.996 3.561 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.783 -5.664 1.419 1.00 0.00 C ATOM 552 CD1 ILE A 34 8.614 -5.350 5.031 1.00 0.00 C ATOM 0 H ILE A 34 7.041 -5.179 1.581 1.00 0.00 H new ATOM 0 HA ILE A 34 8.131 -7.769 1.562 1.00 0.00 H new ATOM 0 HB ILE A 34 9.750 -6.805 3.220 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.361 -4.175 3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.678 -4.635 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.654 -5.079 1.713 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.103 -6.514 0.816 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.107 -5.039 0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.319 -4.473 5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.891 -6.149 5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.600 -5.683 5.355 1.00 0.00 H new ATOM 564 N TYR A 35 8.066 -8.467 4.184 1.00 0.00 N ATOM 565 CA TYR A 35 7.633 -9.158 5.392 1.00 0.00 C ATOM 566 C TYR A 35 8.673 -9.025 6.500 1.00 0.00 C ATOM 567 O TYR A 35 9.691 -8.353 6.334 1.00 0.00 O ATOM 568 CB TYR A 35 7.374 -10.635 5.095 1.00 0.00 C ATOM 569 CG TYR A 35 6.390 -10.863 3.969 1.00 0.00 C ATOM 570 CD1 TYR A 35 5.022 -10.887 4.211 1.00 0.00 C ATOM 571 CD2 TYR A 35 6.829 -11.053 2.665 1.00 0.00 C ATOM 572 CE1 TYR A 35 4.120 -11.094 3.186 1.00 0.00 C ATOM 573 CE2 TYR A 35 5.933 -11.261 1.634 1.00 0.00 C ATOM 574 CZ TYR A 35 4.581 -11.280 1.899 1.00 0.00 C ATOM 575 OH TYR A 35 3.684 -11.487 0.874 1.00 0.00 O ATOM 0 H TYR A 35 9.028 -8.662 3.908 1.00 0.00 H new ATOM 0 HA TYR A 35 6.707 -8.695 5.732 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.319 -11.118 4.844 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.999 -11.118 5.997 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.658 -10.741 5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.888 -11.038 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.060 -11.110 3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.291 -11.408 0.626 1.00 0.00 H new ATOM 0 HH TYR A 35 4.171 -11.599 0.031 1.00 0.00 H new ATOM 585 N ASP A 36 8.408 -9.671 7.631 1.00 0.00 N ATOM 586 CA ASP A 36 9.317 -9.629 8.770 1.00 0.00 C ATOM 587 C ASP A 36 10.682 -10.210 8.408 1.00 0.00 C ATOM 588 O ASP A 36 11.684 -9.913 9.058 1.00 0.00 O ATOM 589 CB ASP A 36 8.721 -10.399 9.951 1.00 0.00 C ATOM 590 CG ASP A 36 9.242 -9.906 11.286 1.00 0.00 C ATOM 591 OD1 ASP A 36 10.454 -9.624 11.383 1.00 0.00 O ATOM 592 OD2 ASP A 36 8.437 -9.802 12.236 1.00 0.00 O ATOM 0 H ASP A 36 7.569 -10.231 7.783 1.00 0.00 H new ATOM 0 HA ASP A 36 9.453 -8.585 9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.635 -10.305 9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.952 -11.459 9.843 1.00 0.00 H new ATOM 597 N ARG A 37 10.714 -11.043 7.371 1.00 0.00 N ATOM 598 CA ARG A 37 11.956 -11.665 6.928 1.00 0.00 C ATOM 599 C ARG A 37 12.536 -12.556 8.023 1.00 0.00 C ATOM 600 O ARG A 37 13.753 -12.676 8.159 1.00 0.00 O ATOM 601 CB ARG A 37 12.976 -10.597 6.527 1.00 0.00 C ATOM 602 CG ARG A 37 12.806 -10.097 5.102 1.00 0.00 C ATOM 603 CD ARG A 37 13.284 -11.126 4.091 1.00 0.00 C ATOM 604 NE ARG A 37 14.742 -11.182 4.014 1.00 0.00 N ATOM 605 CZ ARG A 37 15.418 -12.203 3.493 1.00 0.00 C ATOM 606 NH1 ARG A 37 14.772 -13.253 3.001 1.00 0.00 N ATOM 607 NH2 ARG A 37 16.743 -12.173 3.461 1.00 0.00 N ATOM 0 H ARG A 37 9.894 -11.302 6.823 1.00 0.00 H new ATOM 0 HA ARG A 37 11.733 -12.284 6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.894 -9.753 7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.980 -11.004 6.643 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.757 -9.866 4.919 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.364 -9.170 4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.897 -12.108 4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.878 -10.885 3.109 1.00 0.00 H new ATOM 0 HE ARG A 37 15.273 -10.392 4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.753 -13.280 3.021 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.295 -14.033 2.603 1.00 0.00 H new ATOM 0 HH21 ARG A 37 17.244 -11.367 3.836 1.00 0.00 H new ATOM 0 HH22 ARG A 37 17.261 -12.955 3.062 1.00 0.00 H new ATOM 621 N GLU A 38 11.654 -13.177 8.800 1.00 0.00 N ATOM 622 CA GLU A 38 12.075 -14.058 9.883 1.00 0.00 C ATOM 623 C GLU A 38 10.878 -14.787 10.484 1.00 0.00 C ATOM 624 O GLU A 38 10.919 -16.000 10.695 1.00 0.00 O ATOM 625 CB GLU A 38 12.797 -13.257 10.968 1.00 0.00 C ATOM 626 CG GLU A 38 13.785 -14.082 11.779 1.00 0.00 C ATOM 627 CD GLU A 38 13.362 -14.244 13.226 1.00 0.00 C ATOM 628 OE1 GLU A 38 12.308 -14.868 13.470 1.00 0.00 O ATOM 629 OE2 GLU A 38 14.085 -13.747 14.115 1.00 0.00 O ATOM 0 H GLU A 38 10.643 -13.086 8.699 1.00 0.00 H new ATOM 0 HA GLU A 38 12.761 -14.799 9.472 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.327 -12.426 10.502 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.057 -12.826 11.642 1.00 0.00 H new ATOM 0 HG2 GLU A 38 13.891 -15.066 11.323 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.765 -13.607 11.742 1.00 0.00 H new ATOM 636 N THR A 39 9.812 -14.041 10.756 1.00 0.00 N ATOM 637 CA THR A 39 8.601 -14.617 11.330 1.00 0.00 C ATOM 638 C THR A 39 7.513 -14.797 10.270 1.00 0.00 C ATOM 639 O THR A 39 6.421 -15.278 10.570 1.00 0.00 O ATOM 640 CB THR A 39 8.081 -13.730 12.464 1.00 0.00 C ATOM 641 OG1 THR A 39 8.450 -12.379 12.253 1.00 0.00 O ATOM 642 CG2 THR A 39 8.595 -14.140 13.827 1.00 0.00 C ATOM 0 H THR A 39 9.762 -13.036 10.588 1.00 0.00 H new ATOM 0 HA THR A 39 8.854 -15.600 11.727 1.00 0.00 H new ATOM 0 HB THR A 39 6.998 -13.849 12.451 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.716 -11.792 12.531 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.189 -13.471 14.585 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.284 -15.162 14.041 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.683 -14.082 13.838 1.00 0.00 H new ATOM 650 N LYS A 40 7.816 -14.412 9.032 1.00 0.00 N ATOM 651 CA LYS A 40 6.860 -14.536 7.938 1.00 0.00 C ATOM 652 C LYS A 40 5.623 -13.681 8.193 1.00 0.00 C ATOM 653 O LYS A 40 4.506 -14.067 7.846 1.00 0.00 O ATOM 654 CB LYS A 40 6.455 -16.000 7.748 1.00 0.00 C ATOM 655 CG LYS A 40 7.334 -16.751 6.760 1.00 0.00 C ATOM 656 CD LYS A 40 6.580 -17.892 6.097 1.00 0.00 C ATOM 657 CE LYS A 40 6.856 -17.949 4.602 1.00 0.00 C ATOM 658 NZ LYS A 40 7.060 -19.345 4.128 1.00 0.00 N ATOM 0 H LYS A 40 8.715 -14.012 8.763 1.00 0.00 H new ATOM 0 HA LYS A 40 7.342 -14.179 7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.492 -16.507 8.712 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.421 -16.041 7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.697 -16.062 5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.210 -17.144 7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.869 -18.837 6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.510 -17.769 6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.022 -17.500 4.062 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.741 -17.355 4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.245 -19.341 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.871 -19.765 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.206 -19.906 4.323 1.00 0.00 H new ATOM 672 N LYS A 41 5.829 -12.517 8.801 1.00 0.00 N ATOM 673 CA LYS A 41 4.731 -11.605 9.100 1.00 0.00 C ATOM 674 C LYS A 41 4.895 -10.291 8.338 1.00 0.00 C ATOM 675 O LYS A 41 5.950 -9.660 8.399 1.00 0.00 O ATOM 676 CB LYS A 41 4.666 -11.331 10.604 1.00 0.00 C ATOM 677 CG LYS A 41 3.796 -12.319 11.365 1.00 0.00 C ATOM 678 CD LYS A 41 3.237 -11.702 12.637 1.00 0.00 C ATOM 679 CE LYS A 41 4.320 -11.511 13.687 1.00 0.00 C ATOM 680 NZ LYS A 41 3.756 -11.066 14.991 1.00 0.00 N ATOM 0 H LYS A 41 6.746 -12.183 9.096 1.00 0.00 H new ATOM 0 HA LYS A 41 3.801 -12.076 8.782 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.676 -11.358 11.014 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.283 -10.323 10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.975 -12.649 10.728 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.381 -13.204 11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.780 -10.740 12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.450 -12.341 13.037 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.860 -12.447 13.826 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.043 -10.775 13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.422 -11.299 15.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.600 -10.038 14.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.851 -11.550 15.161 1.00 0.00 H new ATOM 694 N PRO A 42 3.852 -9.855 7.609 1.00 0.00 N ATOM 695 CA PRO A 42 3.898 -8.606 6.838 1.00 0.00 C ATOM 696 C PRO A 42 4.019 -7.379 7.734 1.00 0.00 C ATOM 697 O PRO A 42 3.119 -7.078 8.518 1.00 0.00 O ATOM 698 CB PRO A 42 2.562 -8.592 6.089 1.00 0.00 C ATOM 699 CG PRO A 42 1.667 -9.474 6.886 1.00 0.00 C ATOM 700 CD PRO A 42 2.551 -10.536 7.475 1.00 0.00 C ATOM 0 HA PRO A 42 4.767 -8.568 6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.160 -7.582 6.018 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.676 -8.962 5.070 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.160 -8.910 7.669 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.893 -9.915 6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.177 -10.883 8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.618 -11.409 6.826 1.00 0.00 H new ATOM 708 N LYS A 43 5.138 -6.671 7.612 1.00 0.00 N ATOM 709 CA LYS A 43 5.377 -5.474 8.410 1.00 0.00 C ATOM 710 C LYS A 43 6.599 -4.716 7.903 1.00 0.00 C ATOM 711 O LYS A 43 7.655 -5.305 7.671 1.00 0.00 O ATOM 712 CB LYS A 43 5.568 -5.847 9.881 1.00 0.00 C ATOM 713 CG LYS A 43 6.777 -6.734 10.133 1.00 0.00 C ATOM 714 CD LYS A 43 7.975 -5.924 10.601 1.00 0.00 C ATOM 715 CE LYS A 43 8.953 -6.781 11.389 1.00 0.00 C ATOM 716 NZ LYS A 43 10.007 -5.959 12.045 1.00 0.00 N ATOM 0 H LYS A 43 5.893 -6.906 6.968 1.00 0.00 H new ATOM 0 HA LYS A 43 4.506 -4.826 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.669 -4.934 10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.673 -6.358 10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.529 -7.485 10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.033 -7.270 9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.482 -5.491 9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.635 -5.094 11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.411 -7.348 12.146 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.420 -7.506 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.654 -6.580 12.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.541 -5.437 11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.563 -5.285 12.701 1.00 0.00 H new ATOM 730 N GLY A 44 6.447 -3.407 7.731 1.00 0.00 N ATOM 731 CA GLY A 44 7.547 -2.590 7.251 1.00 0.00 C ATOM 732 C GLY A 44 7.106 -1.572 6.218 1.00 0.00 C ATOM 733 O GLY A 44 7.039 -0.377 6.504 1.00 0.00 O ATOM 0 H GLY A 44 5.583 -2.897 7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.006 -2.073 8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.312 -3.234 6.818 1.00 0.00 H new ATOM 737 N PHE A 45 6.804 -2.048 5.014 1.00 0.00 N ATOM 738 CA PHE A 45 6.366 -1.172 3.934 1.00 0.00 C ATOM 739 C PHE A 45 5.839 -1.985 2.756 1.00 0.00 C ATOM 740 O PHE A 45 6.015 -3.202 2.700 1.00 0.00 O ATOM 741 CB PHE A 45 7.518 -0.275 3.478 1.00 0.00 C ATOM 742 CG PHE A 45 8.728 -1.037 3.017 1.00 0.00 C ATOM 743 CD1 PHE A 45 8.738 -1.665 1.783 1.00 0.00 C ATOM 744 CD2 PHE A 45 9.854 -1.123 3.819 1.00 0.00 C ATOM 745 CE1 PHE A 45 9.850 -2.367 1.357 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.969 -1.824 3.399 1.00 0.00 C ATOM 747 CZ PHE A 45 10.967 -2.446 2.166 1.00 0.00 C ATOM 0 H PHE A 45 6.855 -3.035 4.762 1.00 0.00 H new ATOM 0 HA PHE A 45 5.557 -0.546 4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.170 0.364 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.804 0.381 4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.868 -1.606 1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.861 -0.637 4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 45 9.846 -2.853 0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.840 -1.885 4.034 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.837 -2.993 1.835 1.00 0.00 H new ATOM 757 N GLY A 46 5.190 -1.303 1.816 1.00 0.00 N ATOM 758 CA GLY A 46 4.646 -1.981 0.653 1.00 0.00 C ATOM 759 C GLY A 46 4.880 -1.212 -0.632 1.00 0.00 C ATOM 760 O GLY A 46 5.507 -0.153 -0.625 1.00 0.00 O ATOM 0 H GLY A 46 5.032 -0.296 1.839 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.098 -2.969 0.568 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.575 -2.131 0.792 1.00 0.00 H new ATOM 764 N PHE A 47 4.376 -1.748 -1.740 1.00 0.00 N ATOM 765 CA PHE A 47 4.535 -1.106 -3.039 1.00 0.00 C ATOM 766 C PHE A 47 3.369 -1.442 -3.964 1.00 0.00 C ATOM 767 O PHE A 47 3.018 -2.609 -4.138 1.00 0.00 O ATOM 768 CB PHE A 47 5.855 -1.537 -3.684 1.00 0.00 C ATOM 769 CG PHE A 47 6.700 -0.386 -4.150 1.00 0.00 C ATOM 770 CD1 PHE A 47 7.216 0.524 -3.242 1.00 0.00 C ATOM 771 CD2 PHE A 47 6.979 -0.215 -5.497 1.00 0.00 C ATOM 772 CE1 PHE A 47 7.994 1.583 -3.668 1.00 0.00 C ATOM 773 CE2 PHE A 47 7.757 0.843 -5.929 1.00 0.00 C ATOM 774 CZ PHE A 47 8.266 1.743 -5.013 1.00 0.00 C ATOM 0 H PHE A 47 3.855 -2.624 -1.763 1.00 0.00 H new ATOM 0 HA PHE A 47 4.548 -0.027 -2.883 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.424 -2.128 -2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.640 -2.186 -4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.008 0.404 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.584 -0.916 -6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.390 2.286 -2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.967 0.966 -6.981 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.875 2.570 -5.347 1.00 0.00 H new ATOM 784 N VAL A 48 2.778 -0.412 -4.560 1.00 0.00 N ATOM 785 CA VAL A 48 1.656 -0.593 -5.473 1.00 0.00 C ATOM 786 C VAL A 48 1.930 0.084 -6.812 1.00 0.00 C ATOM 787 O VAL A 48 2.543 1.149 -6.865 1.00 0.00 O ATOM 788 CB VAL A 48 0.345 -0.032 -4.883 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.822 -0.283 -5.827 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.071 -0.641 -3.514 1.00 0.00 C ATOM 0 H VAL A 48 3.059 0.559 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 48 1.541 -1.666 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 48 0.458 1.045 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.736 0.121 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.629 0.206 -6.782 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.938 -1.355 -5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.857 -0.234 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.019 -1.723 -3.609 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.893 -0.403 -2.839 1.00 0.00 H new ATOM 800 N GLU A 49 1.474 -0.543 -7.891 1.00 0.00 N ATOM 801 CA GLU A 49 1.673 -0.001 -9.230 1.00 0.00 C ATOM 802 C GLU A 49 0.349 0.447 -9.840 1.00 0.00 C ATOM 803 O GLU A 49 -0.470 -0.378 -10.245 1.00 0.00 O ATOM 804 CB GLU A 49 2.337 -1.044 -10.131 1.00 0.00 C ATOM 805 CG GLU A 49 2.875 -0.469 -11.432 1.00 0.00 C ATOM 806 CD GLU A 49 4.329 -0.827 -11.672 1.00 0.00 C ATOM 807 OE1 GLU A 49 4.645 -2.036 -11.705 1.00 0.00 O ATOM 808 OE2 GLU A 49 5.151 0.100 -11.825 1.00 0.00 O ATOM 0 H GLU A 49 0.965 -1.426 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 49 2.326 0.868 -9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.155 -1.515 -9.586 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.614 -1.827 -10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.273 -0.836 -12.263 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.770 0.616 -11.416 1.00 0.00 H new ATOM 815 N MET A 50 0.146 1.759 -9.904 1.00 0.00 N ATOM 816 CA MET A 50 -1.077 2.318 -10.467 1.00 0.00 C ATOM 817 C MET A 50 -0.770 3.516 -11.359 1.00 0.00 C ATOM 818 O MET A 50 0.391 3.867 -11.565 1.00 0.00 O ATOM 819 CB MET A 50 -2.035 2.733 -9.348 1.00 0.00 C ATOM 820 CG MET A 50 -2.503 1.573 -8.485 1.00 0.00 C ATOM 821 SD MET A 50 -3.169 2.113 -6.898 1.00 0.00 S ATOM 822 CE MET A 50 -3.887 0.587 -6.294 1.00 0.00 C ATOM 0 H MET A 50 0.814 2.455 -9.572 1.00 0.00 H new ATOM 0 HA MET A 50 -1.551 1.548 -11.076 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.542 3.470 -8.714 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.905 3.221 -9.788 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.266 1.010 -9.022 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.668 0.894 -8.312 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.902 0.598 -5.204 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.905 0.490 -6.670 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.291 -0.257 -6.640 1.00 0.00 H new ATOM 832 N GLN A 51 -1.820 4.140 -11.884 1.00 0.00 N ATOM 833 CA GLN A 51 -1.662 5.300 -12.753 1.00 0.00 C ATOM 834 C GLN A 51 -1.108 6.491 -11.978 1.00 0.00 C ATOM 835 O GLN A 51 -1.061 6.476 -10.749 1.00 0.00 O ATOM 836 CB GLN A 51 -3.004 5.669 -13.389 1.00 0.00 C ATOM 837 CG GLN A 51 -2.889 6.106 -14.841 1.00 0.00 C ATOM 838 CD GLN A 51 -4.240 6.238 -15.518 1.00 0.00 C ATOM 839 OE1 GLN A 51 -5.109 6.976 -15.056 1.00 0.00 O ATOM 840 NE2 GLN A 51 -4.422 5.519 -16.619 1.00 0.00 N ATOM 0 H GLN A 51 -2.788 3.862 -11.723 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.952 5.042 -13.539 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.674 4.811 -13.328 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.462 6.472 -12.812 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.368 7.062 -14.889 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.282 5.384 -15.387 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.673 4.920 -16.967 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.311 5.566 -17.117 1.00 0.00 H new ATOM 849 N GLU A 52 -0.692 7.522 -12.706 1.00 0.00 N ATOM 850 CA GLU A 52 -0.141 8.721 -12.086 1.00 0.00 C ATOM 851 C GLU A 52 -1.210 9.465 -11.292 1.00 0.00 C ATOM 852 O GLU A 52 -0.932 10.021 -10.229 1.00 0.00 O ATOM 853 CB GLU A 52 0.452 9.644 -13.153 1.00 0.00 C ATOM 854 CG GLU A 52 1.422 8.945 -14.091 1.00 0.00 C ATOM 855 CD GLU A 52 0.839 8.717 -15.472 1.00 0.00 C ATOM 856 OE1 GLU A 52 -0.392 8.532 -15.573 1.00 0.00 O ATOM 857 OE2 GLU A 52 1.613 8.725 -16.452 1.00 0.00 O ATOM 0 H GLU A 52 -0.726 7.551 -13.725 1.00 0.00 H new ATOM 0 HA GLU A 52 0.648 8.415 -11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.359 10.076 -13.739 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.966 10.470 -12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.330 9.542 -14.178 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.711 7.986 -13.660 1.00 0.00 H new ATOM 864 N GLU A 53 -2.432 9.472 -11.815 1.00 0.00 N ATOM 865 CA GLU A 53 -3.542 10.147 -11.154 1.00 0.00 C ATOM 866 C GLU A 53 -4.027 9.348 -9.950 1.00 0.00 C ATOM 867 O GLU A 53 -4.480 9.916 -8.956 1.00 0.00 O ATOM 868 CB GLU A 53 -4.695 10.360 -12.137 1.00 0.00 C ATOM 869 CG GLU A 53 -4.629 11.687 -12.875 1.00 0.00 C ATOM 870 CD GLU A 53 -5.122 11.582 -14.305 1.00 0.00 C ATOM 871 OE1 GLU A 53 -4.431 10.945 -15.126 1.00 0.00 O ATOM 872 OE2 GLU A 53 -6.201 12.139 -14.603 1.00 0.00 O ATOM 0 H GLU A 53 -2.678 9.018 -12.694 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.187 11.116 -10.804 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.695 9.549 -12.865 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.639 10.302 -11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.227 12.426 -12.341 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.601 12.049 -12.874 1.00 0.00 H new ATOM 879 N SER A 54 -3.930 8.026 -10.046 1.00 0.00 N ATOM 880 CA SER A 54 -4.360 7.148 -8.965 1.00 0.00 C ATOM 881 C SER A 54 -3.468 7.317 -7.739 1.00 0.00 C ATOM 882 O SER A 54 -3.938 7.251 -6.604 1.00 0.00 O ATOM 883 CB SER A 54 -4.340 5.689 -9.427 1.00 0.00 C ATOM 884 OG SER A 54 -5.434 4.967 -8.887 1.00 0.00 O ATOM 0 H SER A 54 -3.557 7.540 -10.861 1.00 0.00 H new ATOM 0 HA SER A 54 -5.379 7.422 -8.691 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.376 5.649 -10.516 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.405 5.220 -9.121 1.00 0.00 H new ATOM 0 HG SER A 54 -5.399 4.039 -9.199 1.00 0.00 H new ATOM 890 N VAL A 55 -2.180 7.535 -7.978 1.00 0.00 N ATOM 891 CA VAL A 55 -1.221 7.713 -6.893 1.00 0.00 C ATOM 892 C VAL A 55 -1.556 8.944 -6.056 1.00 0.00 C ATOM 893 O VAL A 55 -1.531 8.896 -4.827 1.00 0.00 O ATOM 894 CB VAL A 55 0.218 7.847 -7.432 1.00 0.00 C ATOM 895 CG1 VAL A 55 1.218 7.882 -6.287 1.00 0.00 C ATOM 896 CG2 VAL A 55 0.536 6.712 -8.395 1.00 0.00 C ATOM 0 H VAL A 55 -1.775 7.593 -8.913 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.286 6.824 -6.266 1.00 0.00 H new ATOM 0 HB VAL A 55 0.295 8.787 -7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.227 7.977 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.002 8.734 -5.642 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.142 6.961 -5.709 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.555 6.823 -8.765 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.440 5.758 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.159 6.741 -9.234 1.00 0.00 H new ATOM 906 N SER A 56 -1.870 10.046 -6.730 1.00 0.00 N ATOM 907 CA SER A 56 -2.209 11.290 -6.047 1.00 0.00 C ATOM 908 C SER A 56 -3.366 11.084 -5.073 1.00 0.00 C ATOM 909 O SER A 56 -3.208 11.243 -3.863 1.00 0.00 O ATOM 910 CB SER A 56 -2.573 12.372 -7.066 1.00 0.00 C ATOM 911 OG SER A 56 -1.571 12.495 -8.060 1.00 0.00 O ATOM 0 H SER A 56 -1.897 10.103 -7.748 1.00 0.00 H new ATOM 0 HA SER A 56 -1.335 11.611 -5.480 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.526 12.128 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.703 13.327 -6.556 1.00 0.00 H new ATOM 0 HG SER A 56 -1.828 13.191 -8.700 1.00 0.00 H new ATOM 917 N GLU A 57 -4.527 10.729 -5.610 1.00 0.00 N ATOM 918 CA GLU A 57 -5.711 10.501 -4.790 1.00 0.00 C ATOM 919 C GLU A 57 -5.487 9.347 -3.816 1.00 0.00 C ATOM 920 O GLU A 57 -6.085 9.304 -2.742 1.00 0.00 O ATOM 921 CB GLU A 57 -6.923 10.206 -5.678 1.00 0.00 C ATOM 922 CG GLU A 57 -8.190 10.917 -5.232 1.00 0.00 C ATOM 923 CD GLU A 57 -9.024 11.407 -6.398 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.821 10.609 -6.936 1.00 0.00 O ATOM 925 OE2 GLU A 57 -8.883 12.590 -6.774 1.00 0.00 O ATOM 0 H GLU A 57 -4.674 10.593 -6.610 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.902 11.406 -4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.693 10.499 -6.702 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.103 9.131 -5.687 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.787 10.239 -4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.924 11.764 -4.599 1.00 0.00 H new ATOM 932 N ALA A 58 -4.624 8.413 -4.202 1.00 0.00 N ATOM 933 CA ALA A 58 -4.323 7.258 -3.365 1.00 0.00 C ATOM 934 C ALA A 58 -3.718 7.683 -2.032 1.00 0.00 C ATOM 935 O ALA A 58 -4.009 7.097 -0.997 1.00 0.00 O ATOM 936 CB ALA A 58 -3.381 6.311 -4.094 1.00 0.00 C ATOM 0 H ALA A 58 -4.121 8.434 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.259 6.739 -3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.164 5.453 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.850 5.970 -5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.453 6.831 -4.330 1.00 0.00 H new ATOM 942 N ILE A 59 -2.872 8.705 -2.068 1.00 0.00 N ATOM 943 CA ILE A 59 -2.221 9.211 -0.863 1.00 0.00 C ATOM 944 C ILE A 59 -3.055 10.311 -0.203 1.00 0.00 C ATOM 945 O ILE A 59 -2.842 10.654 0.960 1.00 0.00 O ATOM 946 CB ILE A 59 -0.815 9.761 -1.193 1.00 0.00 C ATOM 947 CG1 ILE A 59 0.015 8.694 -1.907 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.102 10.233 0.067 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.645 9.179 -3.194 1.00 0.00 C ATOM 0 H ILE A 59 -2.619 9.202 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.128 8.377 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.932 10.619 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.801 8.347 -1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.621 7.836 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.885 10.615 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.684 11.024 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.004 9.398 0.759 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.219 8.370 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.136 9.499 -3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.307 10.018 -2.981 1.00 0.00 H new ATOM 961 N ALA A 60 -3.997 10.866 -0.958 1.00 0.00 N ATOM 962 CA ALA A 60 -4.854 11.935 -0.462 1.00 0.00 C ATOM 963 C ALA A 60 -5.907 11.431 0.521 1.00 0.00 C ATOM 964 O ALA A 60 -6.100 12.014 1.587 1.00 0.00 O ATOM 965 CB ALA A 60 -5.530 12.631 -1.631 1.00 0.00 C ATOM 0 H ALA A 60 -4.186 10.591 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.220 12.638 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.170 13.430 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.772 13.052 -2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.133 11.911 -2.184 1.00 0.00 H new ATOM 971 N LYS A 61 -6.602 10.361 0.150 1.00 0.00 N ATOM 972 CA LYS A 61 -7.651 9.803 0.997 1.00 0.00 C ATOM 973 C LYS A 61 -7.104 8.744 1.945 1.00 0.00 C ATOM 974 O LYS A 61 -7.706 8.455 2.979 1.00 0.00 O ATOM 975 CB LYS A 61 -8.763 9.203 0.135 1.00 0.00 C ATOM 976 CG LYS A 61 -9.284 10.151 -0.932 1.00 0.00 C ATOM 977 CD LYS A 61 -9.926 11.386 -0.319 1.00 0.00 C ATOM 978 CE LYS A 61 -11.441 11.343 -0.432 1.00 0.00 C ATOM 979 NZ LYS A 61 -12.052 12.685 -0.224 1.00 0.00 N ATOM 0 H LYS A 61 -6.459 9.864 -0.729 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.056 10.617 1.599 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.391 8.298 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.590 8.905 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.464 10.452 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.013 9.633 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.641 11.462 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.548 12.279 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.721 10.965 -1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.840 10.644 0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.086 12.613 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.806 13.035 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.691 13.346 -0.941 1.00 0.00 H new ATOM 993 N LEU A 62 -5.973 8.158 1.582 1.00 0.00 N ATOM 994 CA LEU A 62 -5.363 7.118 2.396 1.00 0.00 C ATOM 995 C LEU A 62 -4.392 7.703 3.416 1.00 0.00 C ATOM 996 O LEU A 62 -4.653 7.680 4.618 1.00 0.00 O ATOM 997 CB LEU A 62 -4.643 6.121 1.497 1.00 0.00 C ATOM 998 CG LEU A 62 -5.528 5.448 0.448 1.00 0.00 C ATOM 999 CD1 LEU A 62 -4.725 4.443 -0.364 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -6.720 4.772 1.112 1.00 0.00 C ATOM 0 H LEU A 62 -5.460 8.385 0.730 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.154 6.609 2.947 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.828 6.635 0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.193 5.349 2.121 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.902 6.214 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.372 3.974 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.906 4.955 -0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.321 3.679 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.340 4.298 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.366 4.017 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.309 5.517 1.647 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.267 8.216 2.931 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.254 8.796 3.806 1.00 0.00 C ATOM 1014 C ASP A 63 -2.801 10.015 4.548 1.00 0.00 C ATOM 1015 O ASP A 63 -3.551 10.813 3.985 1.00 0.00 O ATOM 1016 CB ASP A 63 -1.004 9.160 2.990 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.459 10.545 3.296 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.001 11.531 2.752 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.509 10.642 4.079 1.00 0.00 O ATOM 0 H ASP A 63 -3.033 8.242 1.938 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.976 8.056 4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.226 8.422 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.243 9.099 1.928 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.412 10.148 5.813 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.855 11.267 6.640 1.00 0.00 C ATOM 1026 C ASN A 64 -2.235 11.193 8.032 1.00 0.00 C ATOM 1027 O ASN A 64 -1.867 12.215 8.614 1.00 0.00 O ATOM 1028 CB ASN A 64 -4.381 11.278 6.751 1.00 0.00 C ATOM 1029 CG ASN A 64 -4.912 12.599 7.274 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -4.687 13.651 6.676 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -5.621 12.549 8.396 1.00 0.00 N ATOM 0 H ASN A 64 -1.790 9.494 6.288 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.526 12.190 6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.815 11.077 5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.700 10.473 7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.004 13.406 8.796 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.782 11.654 8.858 1.00 0.00 H new ATOM 1038 N THR A 65 -2.124 9.979 8.562 1.00 0.00 N ATOM 1039 CA THR A 65 -1.552 9.768 9.888 1.00 0.00 C ATOM 1040 C THR A 65 -1.086 8.323 10.052 1.00 0.00 C ATOM 1041 O THR A 65 -1.022 7.570 9.080 1.00 0.00 O ATOM 1042 CB THR A 65 -2.580 10.118 10.969 1.00 0.00 C ATOM 1043 OG1 THR A 65 -3.879 10.225 10.413 1.00 0.00 O ATOM 1044 CG2 THR A 65 -2.279 11.418 11.682 1.00 0.00 C ATOM 0 H THR A 65 -2.423 9.124 8.093 1.00 0.00 H new ATOM 0 HA THR A 65 -0.687 10.422 9.997 1.00 0.00 H new ATOM 0 HB THR A 65 -2.526 9.304 11.691 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.520 10.448 11.120 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.045 11.606 12.434 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.304 11.351 12.166 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.270 12.235 10.961 1.00 0.00 H new ATOM 1052 N ASP A 66 -0.763 7.942 11.283 1.00 0.00 N ATOM 1053 CA ASP A 66 -0.305 6.586 11.568 1.00 0.00 C ATOM 1054 C ASP A 66 -1.349 5.814 12.366 1.00 0.00 C ATOM 1055 O ASP A 66 -1.517 6.036 13.566 1.00 0.00 O ATOM 1056 CB ASP A 66 1.018 6.623 12.336 1.00 0.00 C ATOM 1057 CG ASP A 66 2.210 6.838 11.425 1.00 0.00 C ATOM 1058 OD1 ASP A 66 2.164 6.372 10.266 1.00 0.00 O ATOM 1059 OD2 ASP A 66 3.191 7.469 11.870 1.00 0.00 O ATOM 0 H ASP A 66 -0.810 8.552 12.099 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.151 6.075 10.618 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.982 7.421 13.077 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.145 5.688 12.881 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.051 4.905 11.694 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.081 4.101 12.344 1.00 0.00 C ATOM 1066 C PHE A 67 -2.858 2.613 12.080 1.00 0.00 C ATOM 1067 O PHE A 67 -1.802 2.210 11.593 1.00 0.00 O ATOM 1068 CB PHE A 67 -4.470 4.519 11.854 1.00 0.00 C ATOM 1069 CG PHE A 67 -5.316 5.154 12.919 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -5.624 4.463 14.081 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -5.806 6.441 12.760 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -6.403 5.045 15.063 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -6.586 7.027 13.739 1.00 0.00 C ATOM 1074 CZ PHE A 67 -6.885 6.327 14.891 1.00 0.00 C ATOM 0 H PHE A 67 -1.925 4.707 10.701 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.017 4.273 13.418 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.359 5.218 11.025 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.988 3.643 11.465 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.251 3.459 14.220 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -5.575 6.992 11.860 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.635 4.497 15.964 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.961 8.031 13.603 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.495 6.782 15.657 1.00 0.00 H new ATOM 1084 N MET A 68 -3.860 1.802 12.407 1.00 0.00 N ATOM 1085 CA MET A 68 -3.775 0.360 12.206 1.00 0.00 C ATOM 1086 C MET A 68 -4.406 -0.047 10.878 1.00 0.00 C ATOM 1087 O MET A 68 -5.146 -1.029 10.804 1.00 0.00 O ATOM 1088 CB MET A 68 -4.461 -0.376 13.358 1.00 0.00 C ATOM 1089 CG MET A 68 -5.957 -0.114 13.443 1.00 0.00 C ATOM 1090 SD MET A 68 -6.696 -0.786 14.944 1.00 0.00 S ATOM 1091 CE MET A 68 -6.761 -2.530 14.539 1.00 0.00 C ATOM 0 H MET A 68 -4.740 2.120 12.812 1.00 0.00 H new ATOM 0 HA MET A 68 -2.721 0.084 12.183 1.00 0.00 H new ATOM 0 HB2 MET A 68 -4.294 -1.447 13.244 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.995 -0.079 14.297 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.136 0.960 13.404 1.00 0.00 H new ATOM 0 HG3 MET A 68 -6.448 -0.551 12.574 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.196 -3.081 15.373 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.374 -2.674 13.649 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.753 -2.897 14.348 1.00 0.00 H new ATOM 1101 N GLY A 69 -4.111 0.715 9.830 1.00 0.00 N ATOM 1102 CA GLY A 69 -4.657 0.417 8.519 1.00 0.00 C ATOM 1103 C GLY A 69 -5.857 1.279 8.177 1.00 0.00 C ATOM 1104 O GLY A 69 -6.715 0.878 7.391 1.00 0.00 O ATOM 0 H GLY A 69 -3.504 1.534 9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.883 0.563 7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.946 -0.633 8.480 1.00 0.00 H new ATOM 1108 N ARG A 70 -5.917 2.468 8.769 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.020 3.389 8.520 1.00 0.00 C ATOM 1110 C ARG A 70 -6.583 4.516 7.592 1.00 0.00 C ATOM 1111 O ARG A 70 -7.363 4.996 6.769 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.536 3.968 9.839 1.00 0.00 C ATOM 1113 CG ARG A 70 -8.381 2.993 10.641 1.00 0.00 C ATOM 1114 CD ARG A 70 -8.351 3.320 12.125 1.00 0.00 C ATOM 1115 NE ARG A 70 -9.068 4.557 12.428 1.00 0.00 N ATOM 1116 CZ ARG A 70 -10.395 4.651 12.480 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -11.152 3.586 12.250 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -10.966 5.814 12.764 1.00 0.00 N ATOM 0 H ARG A 70 -5.216 2.816 9.423 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.825 2.835 8.037 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.687 4.283 10.445 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.126 4.860 9.629 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.410 3.021 10.282 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.016 1.978 10.483 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.794 2.497 12.686 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.316 3.411 12.455 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.520 5.397 12.610 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.718 2.689 12.032 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.168 3.664 12.291 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.388 6.636 12.942 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.983 5.887 12.804 1.00 0.00 H new ATOM 1132 N THR A 71 -5.331 4.933 7.732 1.00 0.00 N ATOM 1133 CA THR A 71 -4.782 6.002 6.908 1.00 0.00 C ATOM 1134 C THR A 71 -3.337 5.698 6.525 1.00 0.00 C ATOM 1135 O THR A 71 -2.954 5.824 5.362 1.00 0.00 O ATOM 1136 CB THR A 71 -4.867 7.339 7.650 1.00 0.00 C ATOM 1137 OG1 THR A 71 -4.219 8.367 6.921 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.253 7.297 9.031 1.00 0.00 C ATOM 0 H THR A 71 -4.675 4.546 8.410 1.00 0.00 H new ATOM 0 HA THR A 71 -5.371 6.071 5.994 1.00 0.00 H new ATOM 0 HB THR A 71 -5.933 7.542 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.607 8.426 6.023 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.347 8.276 9.501 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.770 6.553 9.637 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.199 7.032 8.952 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.538 5.294 7.509 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.137 4.968 7.269 1.00 0.00 C ATOM 1148 C ILE A 72 -0.398 6.160 6.665 1.00 0.00 C ATOM 1149 O ILE A 72 -1.021 7.131 6.239 1.00 0.00 O ATOM 1150 CB ILE A 72 -0.998 3.752 6.325 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.007 2.659 6.694 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.419 3.200 6.370 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.681 2.031 5.494 1.00 0.00 C ATOM 0 H ILE A 72 -2.837 5.185 8.478 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.694 4.719 8.233 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.209 4.086 5.309 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.497 1.881 7.263 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.769 3.084 7.348 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.498 2.344 5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.121 3.973 6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.655 2.887 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.382 1.266 5.829 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.219 2.797 4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.928 1.576 4.850 1.00 0.00 H new ATOM 1165 N ARG A 73 0.929 6.087 6.634 1.00 0.00 N ATOM 1166 CA ARG A 73 1.735 7.167 6.080 1.00 0.00 C ATOM 1167 C ARG A 73 2.166 6.845 4.652 1.00 0.00 C ATOM 1168 O ARG A 73 3.335 6.992 4.296 1.00 0.00 O ATOM 1169 CB ARG A 73 2.966 7.412 6.956 1.00 0.00 C ATOM 1170 CG ARG A 73 3.329 8.882 7.101 1.00 0.00 C ATOM 1171 CD ARG A 73 3.769 9.211 8.518 1.00 0.00 C ATOM 1172 NE ARG A 73 4.931 10.097 8.537 1.00 0.00 N ATOM 1173 CZ ARG A 73 5.721 10.261 9.595 1.00 0.00 C ATOM 1174 NH1 ARG A 73 5.481 9.601 10.721 1.00 0.00 N ATOM 1175 NH2 ARG A 73 6.756 11.086 9.527 1.00 0.00 N ATOM 0 H ARG A 73 1.466 5.294 6.985 1.00 0.00 H new ATOM 0 HA ARG A 73 1.126 8.071 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.787 6.992 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.816 6.877 6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.129 9.131 6.404 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.470 9.498 6.834 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.945 9.682 9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.007 8.288 9.047 1.00 0.00 H new ATOM 0 HE ARG A 73 5.149 10.621 7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.687 8.963 10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.091 9.731 11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.947 11.595 8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.362 11.212 10.338 1.00 0.00 H new ATOM 1189 N VAL A 74 1.212 6.401 3.840 1.00 0.00 N ATOM 1190 CA VAL A 74 1.492 6.055 2.451 1.00 0.00 C ATOM 1191 C VAL A 74 1.985 7.269 1.671 1.00 0.00 C ATOM 1192 O VAL A 74 1.667 8.409 2.009 1.00 0.00 O ATOM 1193 CB VAL A 74 0.246 5.471 1.754 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -0.876 6.496 1.701 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.596 4.981 0.356 1.00 0.00 C ATOM 0 H VAL A 74 0.239 6.272 4.119 1.00 0.00 H new ATOM 0 HA VAL A 74 2.275 5.297 2.464 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.103 4.620 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.743 6.061 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.148 6.791 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.542 7.372 1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.295 4.572 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.975 5.813 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.359 4.206 0.423 1.00 0.00 H new ATOM 1205 N THR A 75 2.767 7.017 0.626 1.00 0.00 N ATOM 1206 CA THR A 75 3.306 8.089 -0.202 1.00 0.00 C ATOM 1207 C THR A 75 3.734 7.559 -1.567 1.00 0.00 C ATOM 1208 O THR A 75 3.850 6.350 -1.766 1.00 0.00 O ATOM 1209 CB THR A 75 4.494 8.752 0.496 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.134 9.673 -0.368 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.539 7.763 0.969 1.00 0.00 C ATOM 0 H THR A 75 3.041 6.079 0.333 1.00 0.00 H new ATOM 0 HA THR A 75 2.521 8.830 -0.350 1.00 0.00 H new ATOM 0 HB THR A 75 4.073 9.255 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.890 10.087 0.098 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.354 8.299 1.455 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.088 7.068 1.678 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.928 7.209 0.115 1.00 0.00 H new ATOM 1219 N GLU A 76 3.968 8.472 -2.504 1.00 0.00 N ATOM 1220 CA GLU A 76 4.383 8.097 -3.851 1.00 0.00 C ATOM 1221 C GLU A 76 5.877 7.787 -3.892 1.00 0.00 C ATOM 1222 O GLU A 76 6.701 8.602 -3.479 1.00 0.00 O ATOM 1223 CB GLU A 76 4.054 9.216 -4.841 1.00 0.00 C ATOM 1224 CG GLU A 76 4.755 10.529 -4.529 1.00 0.00 C ATOM 1225 CD GLU A 76 4.415 11.620 -5.525 1.00 0.00 C ATOM 1226 OE1 GLU A 76 3.220 11.771 -5.856 1.00 0.00 O ATOM 1227 OE2 GLU A 76 5.345 12.325 -5.974 1.00 0.00 O ATOM 0 H GLU A 76 3.877 9.477 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 76 3.835 7.199 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.332 8.895 -5.845 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.977 9.381 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.477 10.857 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.833 10.369 -4.524 1.00 0.00 H new ATOM 1234 N ALA A 77 6.216 6.605 -4.393 1.00 0.00 N ATOM 1235 CA ALA A 77 7.610 6.188 -4.490 1.00 0.00 C ATOM 1236 C ALA A 77 8.337 6.950 -5.591 1.00 0.00 C ATOM 1237 O ALA A 77 7.695 7.801 -6.244 1.00 0.00 O ATOM 1238 CB ALA A 77 7.697 4.689 -4.737 1.00 0.00 C ATOM 0 H ALA A 77 5.545 5.919 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 77 8.098 6.418 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.743 4.392 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.223 4.156 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.187 4.444 -5.668 1.00 0.00 H new TER 1244 ALA A 77