USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 471 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 14 ASN : amide:sc= 0.938 K(o=2.2,f=-3.9!) USER MOD Set 1.2: A 28 SER OG : rot -99:sc= 1.29 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 40:sc= 0.203 USER MOD Single : A 8 ASN : amide:sc= -0.0641 K(o=-0.064,f=-1.5!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -41:sc= 0.962 USER MOD Single : A 23 SER OG : rot -95:sc= 0.725 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.4!) USER MOD Single : A 33 THR OG1 : rot 92:sc= 0.158 USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= -0.153 (180deg=-0.865) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= -0.0167 (180deg=-0.348) USER MOD ----------------------------------------------------------------- ATOM 28 N LYS A 3 7.604 5.252 6.451 1.00 0.00 N ATOM 29 CA LYS A 3 8.344 4.247 5.627 1.00 0.00 C ATOM 30 C LYS A 3 7.714 4.184 4.239 1.00 0.00 C ATOM 31 O LYS A 3 6.536 4.431 4.077 1.00 0.00 O ATOM 32 CB LYS A 3 8.229 2.874 6.295 1.00 0.00 C ATOM 33 CG LYS A 3 8.552 2.978 7.792 1.00 0.00 C ATOM 34 CD LYS A 3 10.001 3.424 7.992 1.00 0.00 C ATOM 35 CE LYS A 3 10.342 3.381 9.478 1.00 0.00 C ATOM 36 NZ LYS A 3 11.782 3.717 9.652 1.00 0.00 N ATOM 0 HA LYS A 3 9.393 4.531 5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.221 2.480 6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.912 2.172 5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.877 3.689 8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.391 2.013 8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.674 2.773 7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.140 4.433 7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.721 4.088 10.028 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.134 2.391 9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.025 3.690 10.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 12.364 3.026 9.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 11.964 4.670 9.277 1.00 0.00 H new ATOM 50 N THR A 4 8.492 3.852 3.238 1.00 0.00 N ATOM 51 CA THR A 4 7.952 3.767 1.844 1.00 0.00 C ATOM 52 C THR A 4 8.107 2.335 1.331 1.00 0.00 C ATOM 53 O THR A 4 9.201 1.824 1.195 1.00 0.00 O ATOM 54 CB THR A 4 8.727 4.738 0.949 1.00 0.00 C ATOM 55 OG1 THR A 4 10.122 4.590 1.175 1.00 0.00 O ATOM 56 CG2 THR A 4 8.301 6.168 1.286 1.00 0.00 C ATOM 0 H THR A 4 9.485 3.635 3.327 1.00 0.00 H new ATOM 0 HA THR A 4 6.896 4.035 1.832 1.00 0.00 H new ATOM 0 HB THR A 4 8.513 4.524 -0.098 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.337 3.640 1.283 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.847 6.869 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 4 7.231 6.280 1.111 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.521 6.376 2.333 1.00 0.00 H new ATOM 64 N GLY A 5 7.005 1.681 1.061 1.00 0.00 N ATOM 65 CA GLY A 5 7.059 0.273 0.566 1.00 0.00 C ATOM 66 C GLY A 5 7.037 0.260 -0.961 1.00 0.00 C ATOM 67 O GLY A 5 6.160 0.826 -1.583 1.00 0.00 O ATOM 0 H GLY A 5 6.066 2.065 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.963 -0.216 0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 5 6.212 -0.292 0.956 1.00 0.00 H new ATOM 71 N ILE A 6 7.998 -0.378 -1.572 1.00 0.00 N ATOM 72 CA ILE A 6 8.035 -0.421 -3.060 1.00 0.00 C ATOM 73 C ILE A 6 7.079 -1.505 -3.566 1.00 0.00 C ATOM 74 O ILE A 6 7.166 -2.658 -3.190 1.00 0.00 O ATOM 75 CB ILE A 6 9.472 -0.712 -3.509 1.00 0.00 C ATOM 76 CG1 ILE A 6 10.321 0.552 -3.316 1.00 0.00 C ATOM 77 CG2 ILE A 6 9.497 -1.115 -4.988 1.00 0.00 C ATOM 78 CD1 ILE A 6 10.324 0.970 -1.840 1.00 0.00 C ATOM 0 H ILE A 6 8.759 -0.871 -1.104 1.00 0.00 H new ATOM 0 HA ILE A 6 7.718 0.536 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 6 9.873 -1.531 -2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.342 0.368 -3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 6 9.925 1.361 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.524 -1.318 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.892 -2.010 -5.131 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.093 -0.303 -5.593 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.930 1.868 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.303 1.174 -1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 6 10.741 0.165 -1.235 1.00 0.00 H new ATOM 90 N VAL A 7 6.164 -1.137 -4.418 1.00 0.00 N ATOM 91 CA VAL A 7 5.193 -2.128 -4.958 1.00 0.00 C ATOM 92 C VAL A 7 5.859 -2.973 -6.042 1.00 0.00 C ATOM 93 O VAL A 7 6.504 -2.455 -6.932 1.00 0.00 O ATOM 94 CB VAL A 7 4.008 -1.378 -5.556 1.00 0.00 C ATOM 95 CG1 VAL A 7 3.066 -2.365 -6.245 1.00 0.00 C ATOM 96 CG2 VAL A 7 3.262 -0.651 -4.437 1.00 0.00 C ATOM 0 H VAL A 7 6.046 -0.185 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 7 4.855 -2.784 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 7 4.365 -0.656 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.221 -1.824 -6.671 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.601 -2.885 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.703 -3.090 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.413 -0.112 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.906 -1.377 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.935 0.055 -3.950 1.00 0.00 H new ATOM 106 N ASN A 8 5.697 -4.272 -5.978 1.00 0.00 N ATOM 107 CA ASN A 8 6.308 -5.170 -7.009 1.00 0.00 C ATOM 108 C ASN A 8 5.220 -6.075 -7.593 1.00 0.00 C ATOM 109 O ASN A 8 4.870 -7.085 -7.016 1.00 0.00 O ATOM 110 CB ASN A 8 7.393 -6.022 -6.347 1.00 0.00 C ATOM 111 CG ASN A 8 8.262 -6.671 -7.425 1.00 0.00 C ATOM 112 OD1 ASN A 8 8.510 -6.080 -8.456 1.00 0.00 O ATOM 113 ND2 ASN A 8 8.741 -7.868 -7.227 1.00 0.00 N ATOM 0 H ASN A 8 5.165 -4.752 -5.252 1.00 0.00 H new ATOM 0 HA ASN A 8 6.751 -4.577 -7.809 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.008 -5.403 -5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 8 6.936 -6.790 -5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.324 -8.308 -7.939 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.532 -8.364 -6.360 1.00 0.00 H new ATOM 120 N VAL A 9 4.686 -5.717 -8.737 1.00 0.00 N ATOM 121 CA VAL A 9 3.619 -6.553 -9.374 1.00 0.00 C ATOM 122 C VAL A 9 3.883 -6.665 -10.877 1.00 0.00 C ATOM 123 O VAL A 9 4.581 -5.857 -11.458 1.00 0.00 O ATOM 124 CB VAL A 9 2.248 -5.907 -9.146 1.00 0.00 C ATOM 125 CG1 VAL A 9 1.921 -5.927 -7.653 1.00 0.00 C ATOM 126 CG2 VAL A 9 2.266 -4.457 -9.641 1.00 0.00 C ATOM 0 H VAL A 9 4.944 -4.879 -9.258 1.00 0.00 H new ATOM 0 HA VAL A 9 3.630 -7.547 -8.926 1.00 0.00 H new ATOM 0 HB VAL A 9 1.492 -6.466 -9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.946 -5.468 -7.488 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.902 -6.958 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.682 -5.370 -7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.288 -4.004 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.023 -3.895 -9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.499 -4.439 -10.706 1.00 0.00 H new ATOM 136 N SER A 10 3.330 -7.663 -11.504 1.00 0.00 N ATOM 137 CA SER A 10 3.537 -7.846 -12.968 1.00 0.00 C ATOM 138 C SER A 10 2.502 -7.016 -13.735 1.00 0.00 C ATOM 139 O SER A 10 2.607 -6.830 -14.931 1.00 0.00 O ATOM 140 CB SER A 10 3.366 -9.326 -13.309 1.00 0.00 C ATOM 141 OG SER A 10 4.543 -10.033 -12.938 1.00 0.00 O ATOM 0 H SER A 10 2.738 -8.367 -11.062 1.00 0.00 H new ATOM 0 HA SER A 10 4.538 -7.518 -13.248 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.502 -9.734 -12.785 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.177 -9.446 -14.376 1.00 0.00 H new ATOM 0 HG SER A 10 4.436 -10.983 -13.154 1.00 0.00 H new ATOM 147 N SER A 11 1.498 -6.522 -13.051 1.00 0.00 N ATOM 148 CA SER A 11 0.439 -5.706 -13.723 1.00 0.00 C ATOM 149 C SER A 11 0.174 -4.448 -12.897 1.00 0.00 C ATOM 150 O SER A 11 0.655 -3.378 -13.208 1.00 0.00 O ATOM 151 CB SER A 11 -0.848 -6.526 -13.817 1.00 0.00 C ATOM 152 OG SER A 11 -0.628 -7.654 -14.656 1.00 0.00 O ATOM 0 H SER A 11 1.366 -6.651 -12.048 1.00 0.00 H new ATOM 0 HA SER A 11 0.770 -5.427 -14.723 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.158 -6.852 -12.824 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.655 -5.913 -14.218 1.00 0.00 H new ATOM 0 HG SER A 11 -1.451 -8.182 -14.717 1.00 0.00 H new ATOM 158 N SER A 12 -0.585 -4.566 -11.844 1.00 0.00 N ATOM 159 CA SER A 12 -0.875 -3.373 -11.003 1.00 0.00 C ATOM 160 C SER A 12 -1.294 -3.818 -9.605 1.00 0.00 C ATOM 161 O SER A 12 -1.617 -4.969 -9.386 1.00 0.00 O ATOM 162 CB SER A 12 -2.004 -2.561 -11.635 1.00 0.00 C ATOM 163 OG SER A 12 -3.252 -3.145 -11.289 1.00 0.00 O ATOM 0 H SER A 12 -1.016 -5.435 -11.530 1.00 0.00 H new ATOM 0 HA SER A 12 0.022 -2.758 -10.934 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.964 -1.529 -11.288 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.888 -2.537 -12.719 1.00 0.00 H new ATOM 0 HG SER A 12 -3.979 -2.626 -11.692 1.00 0.00 H new ATOM 169 N LEU A 13 -1.296 -2.911 -8.658 1.00 0.00 N ATOM 170 CA LEU A 13 -1.698 -3.262 -7.258 1.00 0.00 C ATOM 171 C LEU A 13 -3.007 -2.557 -6.910 1.00 0.00 C ATOM 172 O LEU A 13 -3.169 -1.373 -7.129 1.00 0.00 O ATOM 173 CB LEU A 13 -0.596 -2.820 -6.286 1.00 0.00 C ATOM 174 CG LEU A 13 -1.048 -3.040 -4.832 1.00 0.00 C ATOM 175 CD1 LEU A 13 -1.482 -4.501 -4.624 1.00 0.00 C ATOM 176 CD2 LEU A 13 0.117 -2.715 -3.892 1.00 0.00 C ATOM 0 H LEU A 13 -1.034 -1.935 -8.796 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.840 -4.340 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.317 -3.383 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.361 -1.768 -6.446 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.895 -2.388 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.799 -4.643 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.310 -4.733 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.644 -5.164 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.195 -2.868 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.960 -3.369 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.417 -1.676 -4.030 1.00 0.00 H new ATOM 188 N ASN A 14 -3.948 -3.287 -6.371 1.00 0.00 N ATOM 189 CA ASN A 14 -5.261 -2.684 -6.006 1.00 0.00 C ATOM 190 C ASN A 14 -5.234 -2.208 -4.552 1.00 0.00 C ATOM 191 O ASN A 14 -4.638 -2.825 -3.693 1.00 0.00 O ATOM 192 CB ASN A 14 -6.356 -3.731 -6.181 1.00 0.00 C ATOM 193 CG ASN A 14 -6.569 -3.980 -7.674 1.00 0.00 C ATOM 194 OD1 ASN A 14 -6.142 -3.196 -8.498 1.00 0.00 O ATOM 195 ND2 ASN A 14 -7.218 -5.042 -8.062 1.00 0.00 N ATOM 0 H ASN A 14 -3.861 -4.283 -6.167 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.459 -1.829 -6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.075 -4.658 -5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.282 -3.388 -5.720 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.367 -5.214 -9.056 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.577 -5.701 -7.371 1.00 0.00 H new ATOM 202 N VAL A 15 -5.883 -1.109 -4.276 1.00 0.00 N ATOM 203 CA VAL A 15 -5.909 -0.570 -2.886 1.00 0.00 C ATOM 204 C VAL A 15 -7.141 -1.110 -2.163 1.00 0.00 C ATOM 205 O VAL A 15 -8.236 -1.086 -2.686 1.00 0.00 O ATOM 206 CB VAL A 15 -5.978 0.955 -2.955 1.00 0.00 C ATOM 207 CG1 VAL A 15 -6.210 1.533 -1.558 1.00 0.00 C ATOM 208 CG2 VAL A 15 -4.661 1.489 -3.518 1.00 0.00 C ATOM 0 H VAL A 15 -6.401 -0.557 -4.960 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.013 -0.874 -2.345 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.804 1.251 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.258 2.620 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.148 1.150 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.389 1.241 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.702 2.577 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.839 1.188 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.501 1.083 -4.517 1.00 0.00 H new ATOM 218 N ARG A 16 -6.968 -1.610 -0.966 1.00 0.00 N ATOM 219 CA ARG A 16 -8.123 -2.170 -0.205 1.00 0.00 C ATOM 220 C ARG A 16 -8.587 -1.172 0.855 1.00 0.00 C ATOM 221 O ARG A 16 -7.803 -0.645 1.620 1.00 0.00 O ATOM 222 CB ARG A 16 -7.679 -3.468 0.470 1.00 0.00 C ATOM 223 CG ARG A 16 -7.464 -4.540 -0.601 1.00 0.00 C ATOM 224 CD ARG A 16 -6.977 -5.831 0.057 1.00 0.00 C ATOM 225 NE ARG A 16 -6.792 -6.885 -0.983 1.00 0.00 N ATOM 226 CZ ARG A 16 -5.658 -6.995 -1.626 1.00 0.00 C ATOM 227 NH1 ARG A 16 -4.678 -6.170 -1.375 1.00 0.00 N ATOM 228 NH2 ARG A 16 -5.506 -7.931 -2.522 1.00 0.00 N ATOM 0 H ARG A 16 -6.071 -1.654 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.951 -2.365 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.758 -3.305 1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.433 -3.797 1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.394 -4.723 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.734 -4.195 -1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.037 -5.653 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.698 -6.165 0.803 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.557 -7.526 -1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.795 -5.437 -0.676 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.795 -6.259 -1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.271 -8.576 -2.721 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.622 -8.018 -3.024 1.00 0.00 H new ATOM 242 N GLU A 17 -9.863 -0.913 0.896 1.00 0.00 N ATOM 243 CA GLU A 17 -10.411 0.046 1.893 1.00 0.00 C ATOM 244 C GLU A 17 -10.336 -0.563 3.294 1.00 0.00 C ATOM 245 O GLU A 17 -10.011 0.105 4.255 1.00 0.00 O ATOM 246 CB GLU A 17 -11.873 0.325 1.546 1.00 0.00 C ATOM 247 CG GLU A 17 -12.443 1.377 2.498 1.00 0.00 C ATOM 248 CD GLU A 17 -13.886 1.698 2.101 1.00 0.00 C ATOM 249 OE1 GLU A 17 -14.431 0.969 1.288 1.00 0.00 O ATOM 250 OE2 GLU A 17 -14.420 2.665 2.617 1.00 0.00 O ATOM 0 H GLU A 17 -10.557 -1.329 0.275 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.832 0.969 1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.951 0.674 0.516 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.454 -0.594 1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.410 1.010 3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.835 2.281 2.463 1.00 0.00 H new ATOM 257 N GLY A 18 -10.654 -1.828 3.415 1.00 0.00 N ATOM 258 CA GLY A 18 -10.629 -2.504 4.751 1.00 0.00 C ATOM 259 C GLY A 18 -9.414 -3.426 4.855 1.00 0.00 C ATOM 260 O GLY A 18 -8.549 -3.434 4.002 1.00 0.00 O ATOM 0 H GLY A 18 -10.933 -2.428 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.596 -1.757 5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.544 -3.079 4.893 1.00 0.00 H new ATOM 264 N ALA A 19 -9.355 -4.209 5.901 1.00 0.00 N ATOM 265 CA ALA A 19 -8.211 -5.149 6.089 1.00 0.00 C ATOM 266 C ALA A 19 -8.662 -6.568 5.725 1.00 0.00 C ATOM 267 O ALA A 19 -8.594 -7.476 6.527 1.00 0.00 O ATOM 268 CB ALA A 19 -7.772 -5.107 7.553 1.00 0.00 C ATOM 0 H ALA A 19 -10.058 -4.237 6.640 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.377 -4.860 5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.936 -5.791 7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.463 -4.094 7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.604 -5.406 8.191 1.00 0.00 H new ATOM 274 N SER A 20 -9.124 -6.763 4.517 1.00 0.00 N ATOM 275 CA SER A 20 -9.574 -8.124 4.105 1.00 0.00 C ATOM 276 C SER A 20 -9.624 -8.214 2.577 1.00 0.00 C ATOM 277 O SER A 20 -9.770 -7.223 1.891 1.00 0.00 O ATOM 278 CB SER A 20 -10.965 -8.410 4.674 1.00 0.00 C ATOM 279 OG SER A 20 -11.400 -9.680 4.211 1.00 0.00 O ATOM 0 H SER A 20 -9.209 -6.041 3.801 1.00 0.00 H new ATOM 0 HA SER A 20 -8.868 -8.859 4.491 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.937 -8.396 5.764 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.666 -7.635 4.363 1.00 0.00 H new ATOM 0 HG SER A 20 -12.290 -9.873 4.572 1.00 0.00 H new ATOM 285 N THR A 21 -9.500 -9.400 2.048 1.00 0.00 N ATOM 286 CA THR A 21 -9.535 -9.579 0.567 1.00 0.00 C ATOM 287 C THR A 21 -10.928 -9.226 0.034 1.00 0.00 C ATOM 288 O THR A 21 -11.074 -8.727 -1.065 1.00 0.00 O ATOM 289 CB THR A 21 -9.227 -11.040 0.244 1.00 0.00 C ATOM 290 OG1 THR A 21 -10.187 -11.869 0.882 1.00 0.00 O ATOM 291 CG2 THR A 21 -7.830 -11.396 0.755 1.00 0.00 C ATOM 0 H THR A 21 -9.375 -10.260 2.582 1.00 0.00 H new ATOM 0 HA THR A 21 -8.798 -8.926 0.100 1.00 0.00 H new ATOM 0 HB THR A 21 -9.266 -11.192 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.996 -12.808 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.613 -12.439 0.523 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.092 -10.756 0.272 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.789 -11.248 1.834 1.00 0.00 H new ATOM 299 N SER A 22 -11.949 -9.482 0.799 1.00 0.00 N ATOM 300 CA SER A 22 -13.327 -9.162 0.337 1.00 0.00 C ATOM 301 C SER A 22 -13.579 -7.664 0.523 1.00 0.00 C ATOM 302 O SER A 22 -14.686 -7.186 0.387 1.00 0.00 O ATOM 303 CB SER A 22 -14.335 -9.965 1.162 1.00 0.00 C ATOM 304 OG SER A 22 -15.653 -9.666 0.721 1.00 0.00 O ATOM 0 H SER A 22 -11.889 -9.900 1.727 1.00 0.00 H new ATOM 0 HA SER A 22 -13.438 -9.421 -0.716 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.138 -11.032 1.058 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.230 -9.723 2.220 1.00 0.00 H new ATOM 0 HG SER A 22 -15.731 -8.704 0.552 1.00 0.00 H new ATOM 310 N SER A 23 -12.553 -6.926 0.849 1.00 0.00 N ATOM 311 CA SER A 23 -12.717 -5.460 1.064 1.00 0.00 C ATOM 312 C SER A 23 -13.014 -4.755 -0.263 1.00 0.00 C ATOM 313 O SER A 23 -12.751 -5.270 -1.330 1.00 0.00 O ATOM 314 CB SER A 23 -11.435 -4.898 1.668 1.00 0.00 C ATOM 315 OG SER A 23 -10.369 -5.065 0.743 1.00 0.00 O ATOM 0 H SER A 23 -11.604 -7.277 0.976 1.00 0.00 H new ATOM 0 HA SER A 23 -13.553 -5.289 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.564 -3.842 1.906 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.205 -5.410 2.603 1.00 0.00 H new ATOM 0 HG SER A 23 -9.881 -5.889 0.952 1.00 0.00 H new ATOM 321 N LYS A 24 -13.579 -3.578 -0.194 1.00 0.00 N ATOM 322 CA LYS A 24 -13.921 -2.826 -1.435 1.00 0.00 C ATOM 323 C LYS A 24 -12.709 -2.045 -1.950 1.00 0.00 C ATOM 324 O LYS A 24 -11.971 -1.445 -1.194 1.00 0.00 O ATOM 325 CB LYS A 24 -15.062 -1.856 -1.128 1.00 0.00 C ATOM 326 CG LYS A 24 -15.472 -1.118 -2.404 1.00 0.00 C ATOM 327 CD LYS A 24 -16.663 -0.208 -2.104 1.00 0.00 C ATOM 328 CE LYS A 24 -17.083 0.514 -3.384 1.00 0.00 C ATOM 329 NZ LYS A 24 -18.255 1.389 -3.101 1.00 0.00 N ATOM 0 H LYS A 24 -13.819 -3.103 0.676 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.225 -3.534 -2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.915 -2.400 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.749 -1.140 -0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.636 -0.529 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.734 -1.834 -3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -17.495 -0.795 -1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.397 0.517 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.255 1.111 -3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.336 -0.212 -4.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.540 1.880 -3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -19.046 0.809 -2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.998 2.090 -2.377 1.00 0.00 H new ATOM 343 N VAL A 25 -12.510 -2.047 -3.240 1.00 0.00 N ATOM 344 CA VAL A 25 -11.358 -1.307 -3.831 1.00 0.00 C ATOM 345 C VAL A 25 -11.777 0.129 -4.158 1.00 0.00 C ATOM 346 O VAL A 25 -12.793 0.364 -4.783 1.00 0.00 O ATOM 347 CB VAL A 25 -10.917 -2.019 -5.112 1.00 0.00 C ATOM 348 CG1 VAL A 25 -9.873 -1.173 -5.847 1.00 0.00 C ATOM 349 CG2 VAL A 25 -10.311 -3.375 -4.745 1.00 0.00 C ATOM 0 H VAL A 25 -13.100 -2.533 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.533 -1.281 -3.119 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.779 -2.162 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.564 -1.686 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.304 -0.206 -6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.006 -1.024 -5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.994 -3.889 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.450 -3.224 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.057 -3.979 -4.227 1.00 0.00 H new ATOM 359 N ILE A 26 -10.990 1.088 -3.745 1.00 0.00 N ATOM 360 CA ILE A 26 -11.310 2.519 -4.028 1.00 0.00 C ATOM 361 C ILE A 26 -10.427 3.014 -5.174 1.00 0.00 C ATOM 362 O ILE A 26 -10.587 4.112 -5.666 1.00 0.00 O ATOM 363 CB ILE A 26 -11.046 3.349 -2.767 1.00 0.00 C ATOM 364 CG1 ILE A 26 -9.605 3.130 -2.293 1.00 0.00 C ATOM 365 CG2 ILE A 26 -12.015 2.912 -1.667 1.00 0.00 C ATOM 366 CD1 ILE A 26 -9.295 4.092 -1.144 1.00 0.00 C ATOM 0 H ILE A 26 -10.130 0.939 -3.218 1.00 0.00 H new ATOM 0 HA ILE A 26 -12.357 2.620 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.192 4.406 -2.991 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.471 2.099 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.911 3.295 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.832 3.499 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -13.040 3.070 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -11.864 1.855 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.270 3.937 -0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.412 5.120 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.981 3.906 -0.318 1.00 0.00 H new ATOM 378 N GLY A 27 -9.494 2.210 -5.608 1.00 0.00 N ATOM 379 CA GLY A 27 -8.611 2.647 -6.722 1.00 0.00 C ATOM 380 C GLY A 27 -7.443 1.673 -6.878 1.00 0.00 C ATOM 381 O GLY A 27 -7.330 0.704 -6.154 1.00 0.00 O ATOM 0 H GLY A 27 -9.307 1.277 -5.241 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.180 2.696 -7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.234 3.651 -6.526 1.00 0.00 H new ATOM 385 N SER A 28 -6.573 1.930 -7.823 1.00 0.00 N ATOM 386 CA SER A 28 -5.398 1.033 -8.051 1.00 0.00 C ATOM 387 C SER A 28 -4.137 1.878 -8.210 1.00 0.00 C ATOM 388 O SER A 28 -4.204 3.041 -8.553 1.00 0.00 O ATOM 389 CB SER A 28 -5.624 0.212 -9.319 1.00 0.00 C ATOM 390 OG SER A 28 -6.691 -0.704 -9.103 1.00 0.00 O ATOM 0 H SER A 28 -6.627 2.731 -8.452 1.00 0.00 H new ATOM 0 HA SER A 28 -5.281 0.362 -7.200 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.859 0.871 -10.155 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.715 -0.327 -9.584 1.00 0.00 H new ATOM 0 HG SER A 28 -6.325 -1.588 -8.889 1.00 0.00 H new ATOM 396 N LEU A 29 -2.988 1.298 -7.958 1.00 0.00 N ATOM 397 CA LEU A 29 -1.704 2.057 -8.083 1.00 0.00 C ATOM 398 C LEU A 29 -0.782 1.350 -9.076 1.00 0.00 C ATOM 399 O LEU A 29 -0.818 0.146 -9.230 1.00 0.00 O ATOM 400 CB LEU A 29 -1.027 2.122 -6.715 1.00 0.00 C ATOM 401 CG LEU A 29 -1.963 2.802 -5.707 1.00 0.00 C ATOM 402 CD1 LEU A 29 -1.296 2.815 -4.330 1.00 0.00 C ATOM 403 CD2 LEU A 29 -2.264 4.246 -6.152 1.00 0.00 C ATOM 0 H LEU A 29 -2.884 0.325 -7.669 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.909 3.066 -8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.777 1.117 -6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.091 2.676 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.900 2.248 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.957 3.297 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.098 1.791 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.357 3.366 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.929 4.718 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.333 4.810 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.743 4.233 -7.131 1.00 0.00 H new ATOM 415 N SER A 30 0.030 2.104 -9.761 1.00 0.00 N ATOM 416 CA SER A 30 0.952 1.508 -10.765 1.00 0.00 C ATOM 417 C SER A 30 2.067 0.723 -10.070 1.00 0.00 C ATOM 418 O SER A 30 2.466 1.025 -8.963 1.00 0.00 O ATOM 419 CB SER A 30 1.561 2.627 -11.603 1.00 0.00 C ATOM 420 OG SER A 30 0.528 3.278 -12.330 1.00 0.00 O ATOM 0 H SER A 30 0.095 3.118 -9.667 1.00 0.00 H new ATOM 0 HA SER A 30 0.393 0.824 -11.403 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.076 3.341 -10.960 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.305 2.221 -12.288 1.00 0.00 H new ATOM 0 HG SER A 30 0.913 4.000 -12.870 1.00 0.00 H new ATOM 426 N GLY A 31 2.560 -0.294 -10.722 1.00 0.00 N ATOM 427 CA GLY A 31 3.638 -1.133 -10.126 1.00 0.00 C ATOM 428 C GLY A 31 4.917 -0.321 -9.920 1.00 0.00 C ATOM 429 O GLY A 31 5.091 0.744 -10.478 1.00 0.00 O ATOM 0 H GLY A 31 2.258 -0.582 -11.653 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.302 -1.537 -9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.844 -1.983 -10.777 1.00 0.00 H new ATOM 433 N ASN A 32 5.810 -0.833 -9.110 1.00 0.00 N ATOM 434 CA ASN A 32 7.102 -0.134 -8.828 1.00 0.00 C ATOM 435 C ASN A 32 6.842 1.164 -8.058 1.00 0.00 C ATOM 436 O ASN A 32 7.728 1.705 -7.426 1.00 0.00 O ATOM 437 CB ASN A 32 7.828 0.184 -10.143 1.00 0.00 C ATOM 438 CG ASN A 32 9.298 0.497 -9.850 1.00 0.00 C ATOM 439 OD1 ASN A 32 9.639 0.891 -8.753 1.00 0.00 O ATOM 440 ND2 ASN A 32 10.188 0.337 -10.791 1.00 0.00 N ATOM 0 H ASN A 32 5.696 -1.722 -8.624 1.00 0.00 H new ATOM 0 HA ASN A 32 7.728 -0.790 -8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.754 -0.662 -10.826 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.355 1.033 -10.636 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.170 0.543 -10.605 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.902 0.006 -11.712 1.00 0.00 H new ATOM 447 N THR A 33 5.643 1.671 -8.103 1.00 0.00 N ATOM 448 CA THR A 33 5.342 2.933 -7.376 1.00 0.00 C ATOM 449 C THR A 33 5.423 2.705 -5.866 1.00 0.00 C ATOM 450 O THR A 33 4.939 1.718 -5.345 1.00 0.00 O ATOM 451 CB THR A 33 3.941 3.415 -7.751 1.00 0.00 C ATOM 452 OG1 THR A 33 3.839 3.500 -9.165 1.00 0.00 O ATOM 453 CG2 THR A 33 3.696 4.792 -7.134 1.00 0.00 C ATOM 0 H THR A 33 4.858 1.265 -8.612 1.00 0.00 H new ATOM 0 HA THR A 33 6.075 3.689 -7.657 1.00 0.00 H new ATOM 0 HB THR A 33 3.197 2.713 -7.374 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.494 2.654 -9.519 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.697 5.138 -7.400 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.779 4.725 -6.049 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.437 5.497 -7.512 1.00 0.00 H new ATOM 461 N LYS A 34 6.035 3.618 -5.161 1.00 0.00 N ATOM 462 CA LYS A 34 6.160 3.478 -3.683 1.00 0.00 C ATOM 463 C LYS A 34 4.963 4.141 -3.002 1.00 0.00 C ATOM 464 O LYS A 34 4.417 5.108 -3.498 1.00 0.00 O ATOM 465 CB LYS A 34 7.450 4.162 -3.226 1.00 0.00 C ATOM 466 CG LYS A 34 7.411 5.651 -3.588 1.00 0.00 C ATOM 467 CD LYS A 34 8.750 6.293 -3.222 1.00 0.00 C ATOM 468 CE LYS A 34 8.742 7.771 -3.616 1.00 0.00 C ATOM 469 NZ LYS A 34 7.505 8.421 -3.096 1.00 0.00 N ATOM 0 H LYS A 34 6.457 4.461 -5.550 1.00 0.00 H new ATOM 0 HA LYS A 34 6.186 2.422 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.572 4.044 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.310 3.687 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.214 5.773 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.599 6.146 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 34 8.931 6.194 -2.152 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.563 5.776 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.624 8.270 -3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.788 7.869 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.650 9.449 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.711 8.217 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.290 8.050 -2.148 1.00 0.00 H new ATOM 483 N VAL A 35 4.554 3.629 -1.866 1.00 0.00 N ATOM 484 CA VAL A 35 3.391 4.222 -1.133 1.00 0.00 C ATOM 485 C VAL A 35 3.828 4.599 0.280 1.00 0.00 C ATOM 486 O VAL A 35 4.460 3.828 0.979 1.00 0.00 O ATOM 487 CB VAL A 35 2.247 3.206 -1.078 1.00 0.00 C ATOM 488 CG1 VAL A 35 1.726 2.969 -2.495 1.00 0.00 C ATOM 489 CG2 VAL A 35 2.748 1.882 -0.492 1.00 0.00 C ATOM 0 H VAL A 35 4.979 2.820 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 35 3.044 5.115 -1.652 1.00 0.00 H new ATOM 0 HB VAL A 35 1.448 3.593 -0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.910 2.246 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.364 3.909 -2.911 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.532 2.582 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.927 1.166 -0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.548 1.487 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.126 2.050 0.516 1.00 0.00 H new ATOM 499 N THR A 36 3.509 5.795 0.689 1.00 0.00 N ATOM 500 CA THR A 36 3.906 6.262 2.043 1.00 0.00 C ATOM 501 C THR A 36 3.170 5.457 3.110 1.00 0.00 C ATOM 502 O THR A 36 1.964 5.309 3.065 1.00 0.00 O ATOM 503 CB THR A 36 3.545 7.740 2.183 1.00 0.00 C ATOM 504 OG1 THR A 36 4.093 8.464 1.091 1.00 0.00 O ATOM 505 CG2 THR A 36 4.108 8.286 3.494 1.00 0.00 C ATOM 0 H THR A 36 2.985 6.474 0.137 1.00 0.00 H new ATOM 0 HA THR A 36 4.979 6.125 2.174 1.00 0.00 H new ATOM 0 HB THR A 36 2.461 7.850 2.186 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.861 9.412 1.178 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.849 9.340 3.590 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.685 7.730 4.331 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.193 8.178 3.497 1.00 0.00 H new ATOM 513 N ILE A 37 3.893 4.952 4.076 1.00 0.00 N ATOM 514 CA ILE A 37 3.271 4.157 5.177 1.00 0.00 C ATOM 515 C ILE A 37 3.343 4.950 6.478 1.00 0.00 C ATOM 516 O ILE A 37 4.387 5.443 6.860 1.00 0.00 O ATOM 517 CB ILE A 37 4.034 2.841 5.335 1.00 0.00 C ATOM 518 CG1 ILE A 37 3.801 1.974 4.095 1.00 0.00 C ATOM 519 CG2 ILE A 37 3.550 2.101 6.587 1.00 0.00 C ATOM 520 CD1 ILE A 37 4.760 0.784 4.108 1.00 0.00 C ATOM 0 H ILE A 37 4.905 5.059 4.149 1.00 0.00 H new ATOM 0 HA ILE A 37 2.228 3.949 4.939 1.00 0.00 H new ATOM 0 HB ILE A 37 5.099 3.049 5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.770 1.622 4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.953 2.566 3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.099 1.165 6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.722 2.722 7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.485 1.889 6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.590 0.170 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.788 1.145 4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.586 0.187 5.003 1.00 0.00 H new ATOM 532 N VAL A 38 2.234 5.070 7.159 1.00 0.00 N ATOM 533 CA VAL A 38 2.197 5.823 8.449 1.00 0.00 C ATOM 534 C VAL A 38 1.920 4.841 9.588 1.00 0.00 C ATOM 535 O VAL A 38 1.847 5.219 10.739 1.00 0.00 O ATOM 536 CB VAL A 38 1.086 6.875 8.378 1.00 0.00 C ATOM 537 CG1 VAL A 38 1.473 7.946 7.355 1.00 0.00 C ATOM 538 CG2 VAL A 38 -0.226 6.213 7.938 1.00 0.00 C ATOM 0 H VAL A 38 1.339 4.673 6.872 1.00 0.00 H new ATOM 0 HA VAL A 38 3.151 6.320 8.627 1.00 0.00 H new ATOM 0 HB VAL A 38 0.953 7.328 9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.686 8.698 7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.406 8.419 7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.603 7.484 6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.014 6.964 7.889 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.094 5.761 6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.504 5.443 8.657 1.00 0.00 H new ATOM 548 N GLY A 39 1.766 3.580 9.279 1.00 0.00 N ATOM 549 CA GLY A 39 1.496 2.590 10.358 1.00 0.00 C ATOM 550 C GLY A 39 1.362 1.185 9.768 1.00 0.00 C ATOM 551 O GLY A 39 1.485 0.987 8.575 1.00 0.00 O ATOM 0 H GLY A 39 1.815 3.197 8.335 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.304 2.609 11.089 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.581 2.859 10.887 1.00 0.00 H new ATOM 555 N GLU A 40 1.108 0.205 10.602 1.00 0.00 N ATOM 556 CA GLU A 40 0.962 -1.198 10.104 1.00 0.00 C ATOM 557 C GLU A 40 -0.182 -1.892 10.843 1.00 0.00 C ATOM 558 O GLU A 40 -0.509 -1.549 11.962 1.00 0.00 O ATOM 559 CB GLU A 40 2.269 -1.964 10.348 1.00 0.00 C ATOM 560 CG GLU A 40 2.559 -2.049 11.850 1.00 0.00 C ATOM 561 CD GLU A 40 3.912 -2.731 12.065 1.00 0.00 C ATOM 562 OE1 GLU A 40 4.834 -2.416 11.331 1.00 0.00 O ATOM 563 OE2 GLU A 40 4.001 -3.558 12.956 1.00 0.00 O ATOM 0 H GLU A 40 0.995 0.318 11.609 1.00 0.00 H new ATOM 0 HA GLU A 40 0.742 -1.181 9.037 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.196 -2.967 9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.093 -1.464 9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.568 -1.051 12.288 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.772 -2.610 12.353 1.00 0.00 H new ATOM 570 N GLU A 41 -0.786 -2.875 10.230 1.00 0.00 N ATOM 571 CA GLU A 41 -1.898 -3.603 10.906 1.00 0.00 C ATOM 572 C GLU A 41 -1.995 -5.022 10.340 1.00 0.00 C ATOM 573 O GLU A 41 -2.410 -5.227 9.218 1.00 0.00 O ATOM 574 CB GLU A 41 -3.222 -2.866 10.679 1.00 0.00 C ATOM 575 CG GLU A 41 -4.333 -3.580 11.455 1.00 0.00 C ATOM 576 CD GLU A 41 -5.645 -2.806 11.308 1.00 0.00 C ATOM 577 OE1 GLU A 41 -5.981 -2.456 10.189 1.00 0.00 O ATOM 578 OE2 GLU A 41 -6.291 -2.580 12.317 1.00 0.00 O ATOM 0 H GLU A 41 -0.558 -3.205 9.292 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.698 -3.650 11.976 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.138 -1.831 11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.462 -2.842 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.455 -4.596 11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.062 -3.658 12.508 1.00 0.00 H new ATOM 585 N GLY A 42 -1.624 -5.996 11.123 1.00 0.00 N ATOM 586 CA GLY A 42 -1.699 -7.415 10.667 1.00 0.00 C ATOM 587 C GLY A 42 -0.850 -7.637 9.412 1.00 0.00 C ATOM 588 O GLY A 42 0.227 -7.092 9.264 1.00 0.00 O ATOM 0 H GLY A 42 -1.268 -5.869 12.070 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.355 -8.075 11.464 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.736 -7.679 10.460 1.00 0.00 H new ATOM 592 N ALA A 43 -1.333 -8.448 8.511 1.00 0.00 N ATOM 593 CA ALA A 43 -0.575 -8.734 7.263 1.00 0.00 C ATOM 594 C ALA A 43 -0.840 -7.624 6.246 1.00 0.00 C ATOM 595 O ALA A 43 -0.607 -7.787 5.066 1.00 0.00 O ATOM 596 CB ALA A 43 -1.039 -10.076 6.692 1.00 0.00 C ATOM 0 H ALA A 43 -2.229 -8.929 8.588 1.00 0.00 H new ATOM 0 HA ALA A 43 0.492 -8.779 7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.488 -10.292 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.855 -10.865 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.105 -10.028 6.470 1.00 0.00 H new ATOM 602 N PHE A 44 -1.331 -6.497 6.700 1.00 0.00 N ATOM 603 CA PHE A 44 -1.622 -5.361 5.770 1.00 0.00 C ATOM 604 C PHE A 44 -0.994 -4.086 6.313 1.00 0.00 C ATOM 605 O PHE A 44 -0.924 -3.875 7.508 1.00 0.00 O ATOM 606 CB PHE A 44 -3.135 -5.174 5.655 1.00 0.00 C ATOM 607 CG PHE A 44 -3.725 -6.348 4.914 1.00 0.00 C ATOM 608 CD1 PHE A 44 -4.112 -7.494 5.617 1.00 0.00 C ATOM 609 CD2 PHE A 44 -3.886 -6.290 3.525 1.00 0.00 C ATOM 610 CE1 PHE A 44 -4.661 -8.583 4.930 1.00 0.00 C ATOM 611 CE2 PHE A 44 -4.434 -7.378 2.838 1.00 0.00 C ATOM 612 CZ PHE A 44 -4.822 -8.526 3.540 1.00 0.00 C ATOM 0 H PHE A 44 -1.544 -6.314 7.681 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.206 -5.580 4.787 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.580 -5.094 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.360 -4.246 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.987 -7.538 6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.587 -5.405 2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.961 -9.468 5.472 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.558 -7.333 1.766 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.245 -9.367 3.010 1.00 0.00 H new ATOM 622 N TYR A 45 -0.535 -3.232 5.435 1.00 0.00 N ATOM 623 CA TYR A 45 0.101 -1.952 5.870 1.00 0.00 C ATOM 624 C TYR A 45 -0.830 -0.783 5.568 1.00 0.00 C ATOM 625 O TYR A 45 -1.573 -0.793 4.608 1.00 0.00 O ATOM 626 CB TYR A 45 1.419 -1.755 5.120 1.00 0.00 C ATOM 627 CG TYR A 45 2.460 -2.698 5.676 1.00 0.00 C ATOM 628 CD1 TYR A 45 2.911 -2.536 6.991 1.00 0.00 C ATOM 629 CD2 TYR A 45 2.980 -3.727 4.882 1.00 0.00 C ATOM 630 CE1 TYR A 45 3.879 -3.400 7.513 1.00 0.00 C ATOM 631 CE2 TYR A 45 3.949 -4.591 5.403 1.00 0.00 C ATOM 632 CZ TYR A 45 4.399 -4.427 6.719 1.00 0.00 C ATOM 633 OH TYR A 45 5.354 -5.279 7.233 1.00 0.00 O ATOM 0 H TYR A 45 -0.574 -3.368 4.425 1.00 0.00 H new ATOM 0 HA TYR A 45 0.292 -1.994 6.942 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.276 -1.941 4.056 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.756 -0.723 5.221 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.511 -1.742 7.604 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.633 -3.854 3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.225 -3.274 8.528 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.350 -5.385 4.790 1.00 0.00 H new ATOM 0 HH TYR A 45 5.607 -5.936 6.551 1.00 0.00 H new ATOM 643 N LYS A 46 -0.788 0.230 6.387 1.00 0.00 N ATOM 644 CA LYS A 46 -1.659 1.413 6.163 1.00 0.00 C ATOM 645 C LYS A 46 -0.911 2.426 5.301 1.00 0.00 C ATOM 646 O LYS A 46 0.271 2.647 5.480 1.00 0.00 O ATOM 647 CB LYS A 46 -1.996 2.035 7.522 1.00 0.00 C ATOM 648 CG LYS A 46 -3.156 1.267 8.158 1.00 0.00 C ATOM 649 CD LYS A 46 -3.387 1.757 9.592 1.00 0.00 C ATOM 650 CE LYS A 46 -4.051 3.138 9.581 1.00 0.00 C ATOM 651 NZ LYS A 46 -4.532 3.463 10.953 1.00 0.00 N ATOM 0 H LYS A 46 -0.183 0.288 7.206 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.578 1.119 5.656 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.124 2.004 8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.264 3.084 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.062 1.406 7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.938 0.199 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.016 1.047 10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.437 1.807 10.124 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.341 3.893 9.244 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.885 3.148 8.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.983 4.400 10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.222 2.747 11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.727 3.469 11.611 1.00 0.00 H new ATOM 665 N ILE A 47 -1.589 3.043 4.366 1.00 0.00 N ATOM 666 CA ILE A 47 -0.922 4.047 3.482 1.00 0.00 C ATOM 667 C ILE A 47 -1.785 5.296 3.346 1.00 0.00 C ATOM 668 O ILE A 47 -2.981 5.271 3.558 1.00 0.00 O ATOM 669 CB ILE A 47 -0.682 3.429 2.104 1.00 0.00 C ATOM 670 CG1 ILE A 47 -2.009 2.939 1.510 1.00 0.00 C ATOM 671 CG2 ILE A 47 0.284 2.252 2.242 1.00 0.00 C ATOM 672 CD1 ILE A 47 -1.776 2.465 0.074 1.00 0.00 C ATOM 0 H ILE A 47 -2.580 2.894 4.176 1.00 0.00 H new ATOM 0 HA ILE A 47 0.031 4.333 3.927 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.254 4.181 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.412 2.125 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.746 3.742 1.525 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.458 1.808 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.230 2.604 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.146 1.504 2.908 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.717 2.116 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.392 3.291 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.053 1.649 0.073 1.00 0.00 H new ATOM 684 N GLU A 48 -1.177 6.390 2.987 1.00 0.00 N ATOM 685 CA GLU A 48 -1.941 7.655 2.824 1.00 0.00 C ATOM 686 C GLU A 48 -2.561 7.698 1.428 1.00 0.00 C ATOM 687 O GLU A 48 -1.939 8.121 0.475 1.00 0.00 O ATOM 688 CB GLU A 48 -0.980 8.831 3.006 1.00 0.00 C ATOM 689 CG GLU A 48 -0.494 8.875 4.458 1.00 0.00 C ATOM 690 CD GLU A 48 -1.672 9.182 5.384 1.00 0.00 C ATOM 691 OE1 GLU A 48 -2.657 9.714 4.898 1.00 0.00 O ATOM 692 OE2 GLU A 48 -1.572 8.877 6.561 1.00 0.00 O ATOM 0 H GLU A 48 -0.177 6.462 2.798 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.738 7.713 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.131 8.728 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.480 9.765 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.043 7.921 4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.278 9.636 4.571 1.00 0.00 H new ATOM 699 N TYR A 49 -3.787 7.257 1.300 1.00 0.00 N ATOM 700 CA TYR A 49 -4.460 7.263 -0.033 1.00 0.00 C ATOM 701 C TYR A 49 -5.359 8.495 -0.139 1.00 0.00 C ATOM 702 O TYR A 49 -6.076 8.837 0.780 1.00 0.00 O ATOM 703 CB TYR A 49 -5.299 5.995 -0.181 1.00 0.00 C ATOM 704 CG TYR A 49 -5.938 5.979 -1.548 1.00 0.00 C ATOM 705 CD1 TYR A 49 -5.208 5.533 -2.655 1.00 0.00 C ATOM 706 CD2 TYR A 49 -7.258 6.413 -1.707 1.00 0.00 C ATOM 707 CE1 TYR A 49 -5.798 5.521 -3.923 1.00 0.00 C ATOM 708 CE2 TYR A 49 -7.849 6.400 -2.976 1.00 0.00 C ATOM 709 CZ TYR A 49 -7.118 5.955 -4.084 1.00 0.00 C ATOM 710 OH TYR A 49 -7.701 5.944 -5.335 1.00 0.00 O ATOM 0 H TYR A 49 -4.353 6.891 2.066 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.712 7.294 -0.825 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.673 5.113 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.066 5.960 0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.189 5.198 -2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.821 6.758 -0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.235 5.177 -4.778 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.869 6.733 -3.100 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.621 6.276 -5.270 1.00 0.00 H new ATOM 720 N LYS A 50 -5.312 9.172 -1.251 1.00 0.00 N ATOM 721 CA LYS A 50 -6.145 10.395 -1.422 1.00 0.00 C ATOM 722 C LYS A 50 -7.601 10.113 -1.036 1.00 0.00 C ATOM 723 O LYS A 50 -8.331 9.464 -1.757 1.00 0.00 O ATOM 724 CB LYS A 50 -6.076 10.836 -2.889 1.00 0.00 C ATOM 725 CG LYS A 50 -6.455 12.316 -3.012 1.00 0.00 C ATOM 726 CD LYS A 50 -6.214 12.796 -4.449 1.00 0.00 C ATOM 727 CE LYS A 50 -7.237 12.165 -5.402 1.00 0.00 C ATOM 728 NZ LYS A 50 -7.253 12.931 -6.682 1.00 0.00 N ATOM 0 H LYS A 50 -4.730 8.930 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.765 11.184 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.070 10.677 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.751 10.228 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.502 12.456 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.864 12.911 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.288 13.883 -4.493 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.204 12.532 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.981 11.123 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.228 12.172 -4.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.945 12.507 -7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.516 13.919 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.308 12.902 -7.116 1.00 0.00 H new ATOM 742 N GLY A 51 -8.023 10.621 0.096 1.00 0.00 N ATOM 743 CA GLY A 51 -9.431 10.418 0.558 1.00 0.00 C ATOM 744 C GLY A 51 -9.416 9.768 1.941 1.00 0.00 C ATOM 745 O GLY A 51 -10.042 10.244 2.866 1.00 0.00 O ATOM 0 H GLY A 51 -7.444 11.175 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.955 11.373 0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.971 9.787 -0.148 1.00 0.00 H new ATOM 749 N SER A 52 -8.702 8.684 2.095 1.00 0.00 N ATOM 750 CA SER A 52 -8.656 8.014 3.427 1.00 0.00 C ATOM 751 C SER A 52 -7.411 7.130 3.529 1.00 0.00 C ATOM 752 O SER A 52 -6.498 7.224 2.731 1.00 0.00 O ATOM 753 CB SER A 52 -9.901 7.150 3.600 1.00 0.00 C ATOM 754 OG SER A 52 -10.051 6.315 2.461 1.00 0.00 O ATOM 0 H SER A 52 -8.152 8.236 1.361 1.00 0.00 H new ATOM 0 HA SER A 52 -8.619 8.774 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.815 6.544 4.502 1.00 0.00 H new ATOM 0 HB3 SER A 52 -10.782 7.780 3.722 1.00 0.00 H new ATOM 0 HG SER A 52 -10.849 5.756 2.568 1.00 0.00 H new ATOM 760 N HIS A 53 -7.369 6.270 4.513 1.00 0.00 N ATOM 761 CA HIS A 53 -6.188 5.375 4.685 1.00 0.00 C ATOM 762 C HIS A 53 -6.408 4.070 3.916 1.00 0.00 C ATOM 763 O HIS A 53 -7.313 3.310 4.201 1.00 0.00 O ATOM 764 CB HIS A 53 -6.007 5.076 6.172 1.00 0.00 C ATOM 765 CG HIS A 53 -5.559 6.330 6.870 1.00 0.00 C ATOM 766 ND1 HIS A 53 -6.457 7.269 7.355 1.00 0.00 N ATOM 767 CD2 HIS A 53 -4.310 6.822 7.159 1.00 0.00 C ATOM 768 CE1 HIS A 53 -5.742 8.267 7.906 1.00 0.00 C ATOM 769 NE2 HIS A 53 -4.428 8.044 7.813 1.00 0.00 N ATOM 0 H HIS A 53 -8.106 6.149 5.208 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.295 5.865 4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.943 4.720 6.601 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.271 4.284 6.310 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.378 6.334 6.916 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.177 9.141 8.367 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.673 8.642 8.149 1.00 0.00 H new ATOM 777 N GLY A 54 -5.582 3.812 2.938 1.00 0.00 N ATOM 778 CA GLY A 54 -5.727 2.564 2.133 1.00 0.00 C ATOM 779 C GLY A 54 -4.985 1.414 2.817 1.00 0.00 C ATOM 780 O GLY A 54 -4.118 1.628 3.641 1.00 0.00 O ATOM 0 H GLY A 54 -4.808 4.416 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.782 2.313 2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.329 2.719 1.130 1.00 0.00 H new ATOM 784 N TYR A 55 -5.320 0.194 2.471 1.00 0.00 N ATOM 785 CA TYR A 55 -4.643 -0.994 3.081 1.00 0.00 C ATOM 786 C TYR A 55 -4.052 -1.865 1.975 1.00 0.00 C ATOM 787 O TYR A 55 -4.682 -2.114 0.967 1.00 0.00 O ATOM 788 CB TYR A 55 -5.667 -1.802 3.875 1.00 0.00 C ATOM 789 CG TYR A 55 -6.115 -0.990 5.064 1.00 0.00 C ATOM 790 CD1 TYR A 55 -7.170 -0.080 4.938 1.00 0.00 C ATOM 791 CD2 TYR A 55 -5.467 -1.146 6.295 1.00 0.00 C ATOM 792 CE1 TYR A 55 -7.578 0.674 6.042 1.00 0.00 C ATOM 793 CE2 TYR A 55 -5.876 -0.392 7.400 1.00 0.00 C ATOM 794 CZ TYR A 55 -6.931 0.519 7.274 1.00 0.00 C ATOM 795 OH TYR A 55 -7.333 1.262 8.365 1.00 0.00 O ATOM 0 H TYR A 55 -6.041 -0.031 1.785 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.845 -0.662 3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.521 -2.051 3.245 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.229 -2.744 4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.669 0.040 3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.652 -1.848 6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.393 1.376 5.945 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.378 -0.513 8.350 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.780 1.031 9.140 1.00 0.00 H new ATOM 805 N VAL A 56 -2.843 -2.334 2.160 1.00 0.00 N ATOM 806 CA VAL A 56 -2.194 -3.197 1.125 1.00 0.00 C ATOM 807 C VAL A 56 -1.494 -4.371 1.811 1.00 0.00 C ATOM 808 O VAL A 56 -0.856 -4.219 2.833 1.00 0.00 O ATOM 809 CB VAL A 56 -1.180 -2.369 0.334 1.00 0.00 C ATOM 810 CG1 VAL A 56 -1.925 -1.359 -0.543 1.00 0.00 C ATOM 811 CG2 VAL A 56 -0.264 -1.619 1.304 1.00 0.00 C ATOM 0 H VAL A 56 -2.275 -2.155 2.988 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.949 -3.582 0.440 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.582 -3.029 -0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.205 -0.767 -1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.580 -1.890 -1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.521 -0.700 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.458 -1.029 0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.862 -0.958 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.265 -2.335 1.933 1.00 0.00 H new ATOM 821 N ALA A 57 -1.629 -5.544 1.258 1.00 0.00 N ATOM 822 CA ALA A 57 -0.996 -6.746 1.868 1.00 0.00 C ATOM 823 C ALA A 57 0.530 -6.618 1.854 1.00 0.00 C ATOM 824 O ALA A 57 1.112 -6.102 0.923 1.00 0.00 O ATOM 825 CB ALA A 57 -1.406 -7.983 1.072 1.00 0.00 C ATOM 0 H ALA A 57 -2.155 -5.723 0.403 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.329 -6.835 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.946 -8.868 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.491 -8.088 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.074 -7.878 0.039 1.00 0.00 H new ATOM 831 N LYS A 58 1.176 -7.102 2.879 1.00 0.00 N ATOM 832 CA LYS A 58 2.664 -7.034 2.944 1.00 0.00 C ATOM 833 C LYS A 58 3.262 -7.832 1.780 1.00 0.00 C ATOM 834 O LYS A 58 4.437 -7.740 1.486 1.00 0.00 O ATOM 835 CB LYS A 58 3.121 -7.641 4.275 1.00 0.00 C ATOM 836 CG LYS A 58 2.594 -9.076 4.393 1.00 0.00 C ATOM 837 CD LYS A 58 3.011 -9.668 5.744 1.00 0.00 C ATOM 838 CE LYS A 58 2.476 -11.098 5.872 1.00 0.00 C ATOM 839 NZ LYS A 58 2.865 -11.659 7.199 1.00 0.00 N ATOM 0 H LYS A 58 0.732 -7.546 3.683 1.00 0.00 H new ATOM 0 HA LYS A 58 2.997 -5.999 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.209 -7.636 4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.754 -7.039 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.508 -9.084 4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.987 -9.686 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.097 -9.667 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.625 -9.052 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.391 -11.102 5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.876 -11.720 5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.502 -12.630 7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.902 -11.669 7.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.463 -11.070 7.956 1.00 0.00 H new ATOM 853 N GLU A 59 2.459 -8.622 1.128 1.00 0.00 N ATOM 854 CA GLU A 59 2.964 -9.445 -0.009 1.00 0.00 C ATOM 855 C GLU A 59 3.348 -8.558 -1.200 1.00 0.00 C ATOM 856 O GLU A 59 4.227 -8.898 -1.966 1.00 0.00 O ATOM 857 CB GLU A 59 1.872 -10.425 -0.438 1.00 0.00 C ATOM 858 CG GLU A 59 2.406 -11.336 -1.546 1.00 0.00 C ATOM 859 CD GLU A 59 1.353 -12.388 -1.897 1.00 0.00 C ATOM 860 OE1 GLU A 59 0.216 -12.220 -1.484 1.00 0.00 O ATOM 861 OE2 GLU A 59 1.699 -13.342 -2.573 1.00 0.00 O ATOM 0 H GLU A 59 1.466 -8.735 1.334 1.00 0.00 H new ATOM 0 HA GLU A 59 3.852 -9.986 0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.550 -11.023 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.998 -9.879 -0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.653 -10.746 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.325 -11.822 -1.220 1.00 0.00 H new ATOM 868 N TYR A 60 2.691 -7.441 -1.387 1.00 0.00 N ATOM 869 CA TYR A 60 3.030 -6.570 -2.555 1.00 0.00 C ATOM 870 C TYR A 60 4.057 -5.516 -2.134 1.00 0.00 C ATOM 871 O TYR A 60 4.631 -4.833 -2.958 1.00 0.00 O ATOM 872 CB TYR A 60 1.764 -5.862 -3.039 1.00 0.00 C ATOM 873 CG TYR A 60 0.689 -6.886 -3.337 1.00 0.00 C ATOM 874 CD1 TYR A 60 0.816 -7.734 -4.443 1.00 0.00 C ATOM 875 CD2 TYR A 60 -0.434 -6.988 -2.505 1.00 0.00 C ATOM 876 CE1 TYR A 60 -0.177 -8.683 -4.717 1.00 0.00 C ATOM 877 CE2 TYR A 60 -1.427 -7.937 -2.778 1.00 0.00 C ATOM 878 CZ TYR A 60 -1.298 -8.784 -3.886 1.00 0.00 C ATOM 879 OH TYR A 60 -2.277 -9.721 -4.157 1.00 0.00 O ATOM 0 H TYR A 60 1.941 -7.096 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 60 3.444 -7.185 -3.354 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.414 -5.163 -2.279 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.982 -5.278 -3.933 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.680 -7.657 -5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.534 -6.334 -1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.077 -9.337 -5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.291 -8.016 -2.135 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.985 -9.659 -3.482 1.00 0.00 H new ATOM 889 N ILE A 61 4.297 -5.385 -0.855 1.00 0.00 N ATOM 890 CA ILE A 61 5.289 -4.376 -0.369 1.00 0.00 C ATOM 891 C ILE A 61 6.648 -5.053 -0.189 1.00 0.00 C ATOM 892 O ILE A 61 6.755 -6.102 0.413 1.00 0.00 O ATOM 893 CB ILE A 61 4.811 -3.785 0.974 1.00 0.00 C ATOM 894 CG1 ILE A 61 3.715 -2.740 0.717 1.00 0.00 C ATOM 895 CG2 ILE A 61 5.981 -3.114 1.709 1.00 0.00 C ATOM 896 CD1 ILE A 61 2.628 -3.326 -0.185 1.00 0.00 C ATOM 0 H ILE A 61 3.848 -5.935 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 61 5.381 -3.570 -1.097 1.00 0.00 H new ATOM 0 HB ILE A 61 4.417 -4.594 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.279 -2.419 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.148 -1.856 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.628 -2.702 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.760 -3.851 1.903 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.386 -2.312 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.857 -2.576 -0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.067 -3.624 -1.137 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.184 -4.197 0.298 1.00 0.00 H new ATOM 908 N LYS A 62 7.687 -4.450 -0.708 1.00 0.00 N ATOM 909 CA LYS A 62 9.054 -5.038 -0.577 1.00 0.00 C ATOM 910 C LYS A 62 10.053 -3.947 -0.196 1.00 0.00 C ATOM 911 O LYS A 62 9.844 -2.782 -0.464 1.00 0.00 O ATOM 912 CB LYS A 62 9.465 -5.660 -1.911 1.00 0.00 C ATOM 913 CG LYS A 62 10.835 -6.323 -1.757 1.00 0.00 C ATOM 914 CD LYS A 62 11.194 -7.062 -3.045 1.00 0.00 C ATOM 915 CE LYS A 62 12.549 -7.752 -2.873 1.00 0.00 C ATOM 916 NZ LYS A 62 13.620 -6.723 -2.743 1.00 0.00 N ATOM 0 H LYS A 62 7.646 -3.569 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 62 9.045 -5.803 0.199 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.725 -6.396 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.503 -4.895 -2.686 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.592 -5.570 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.821 -7.019 -0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.426 -7.798 -3.281 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.233 -6.363 -3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.534 -8.390 -1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.752 -8.397 -3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 14.545 -7.159 -2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.452 -5.959 -3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.611 -6.332 -1.779 1.00 0.00 H new ATOM 930 N ASP A 63 11.137 -4.335 0.425 1.00 0.00 N ATOM 931 CA ASP A 63 12.188 -3.357 0.842 1.00 0.00 C ATOM 932 C ASP A 63 11.751 -2.654 2.128 1.00 0.00 C ATOM 933 O ASP A 63 12.352 -2.816 3.170 1.00 0.00 O ATOM 934 CB ASP A 63 12.422 -2.313 -0.270 1.00 0.00 C ATOM 935 CG ASP A 63 13.851 -1.766 -0.177 1.00 0.00 C ATOM 936 OD1 ASP A 63 14.453 -1.910 0.875 1.00 0.00 O ATOM 937 OD2 ASP A 63 14.317 -1.209 -1.158 1.00 0.00 O ATOM 0 H ASP A 63 11.342 -5.305 0.665 1.00 0.00 H new ATOM 0 HA ASP A 63 13.120 -3.894 1.019 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.260 -2.767 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.704 -1.498 -0.174 1.00 0.00 H new ATOM 942 N ILE A 64 10.715 -1.864 2.051 1.00 0.00 N ATOM 943 CA ILE A 64 10.230 -1.131 3.252 1.00 0.00 C ATOM 944 C ILE A 64 11.367 -0.287 3.828 1.00 0.00 C ATOM 945 O ILE A 64 12.053 -0.695 4.743 1.00 0.00 O ATOM 946 CB ILE A 64 9.726 -2.124 4.304 1.00 0.00 C ATOM 947 CG1 ILE A 64 8.563 -2.924 3.713 1.00 0.00 C ATOM 948 CG2 ILE A 64 9.239 -1.356 5.534 1.00 0.00 C ATOM 949 CD1 ILE A 64 8.185 -4.062 4.663 1.00 0.00 C ATOM 0 H ILE A 64 10.180 -1.694 1.199 1.00 0.00 H new ATOM 0 HA ILE A 64 9.406 -0.476 2.967 1.00 0.00 H new ATOM 0 HB ILE A 64 10.532 -2.799 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.705 -2.272 3.552 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.844 -3.328 2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.880 -2.061 6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.062 -0.773 5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.428 -0.686 5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.357 -4.630 4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.043 -4.720 4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.886 -3.648 5.626 1.00 0.00 H new