USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 784 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 106 CUCU :(H bumps) USER MOD NoAdj-H: A 92 HIS HD1 : A 92 HIS ND1 : A 106 CUCU :(H bumps) USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= -0.0441 USER MOD Single : A 1 GLU N :NH3+ 156:sc=-0.00519 (180deg=-0.211) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -70:sc= 1.51! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0371) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -7.39! C(o=-7.4!,f=-17!) USER MOD Single : A 34 ASN : amide:sc= -1.41 K(o=-1.4,f=-2.5!) USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.0066 (180deg=-0.157) USER MOD Single : A 40 ASN :FLIP amide:sc=-0.00974 F(o=-0.73,f=-0.0097) USER MOD Single : A 48 ASN : amide:sc= -3.03 K(o=-3,f=-4.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 19:sc= 0.004 USER MOD Single : A 57 LYS NZ :NH3+ 144:sc= -0.154 (180deg=-1.29) USER MOD Single : A 58 SER OG : rot 71:sc= 1.16 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0895 USER MOD Single : A 61 HIS : no HE2:sc= -7.57! C(o=-7.6!,f=-13!) USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= -0.0443 (180deg=-0.527) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 66 MET CE :methyl -168:sc= -4.48 (180deg=-5.02!) USER MOD Single : A 67 SER OG : rot 160:sc= -1.79! USER MOD Single : A 70 GLN : amide:sc= -1.51! C(o=-1.5!,f=-4.8!) USER MOD Single : A 71 SER OG : rot 130:sc= -1.6 USER MOD Single : A 72 THR OG1 : rot 10:sc= 0.351 USER MOD Single : A 73 SER OG : rot 136:sc= -3.33! USER MOD Single : A 74 THR OG1 : rot -122:sc= 0.635 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -58:sc= -3.18! USER MOD Single : A 86 THR OG1 : rot 126:sc= -0.871! USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 134:sc= -6.77! (180deg=-10.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.928 16.980 3.313 1.00 0.00 N ATOM 2 CA GLU A 1 2.622 16.170 2.272 1.00 0.00 C ATOM 3 C GLU A 1 2.396 14.681 2.548 1.00 0.00 C ATOM 4 O GLU A 1 3.304 13.879 2.456 1.00 0.00 O ATOM 5 CB GLU A 1 4.121 16.474 2.303 1.00 0.00 C ATOM 6 CG GLU A 1 4.738 15.881 3.571 1.00 0.00 C ATOM 7 CD GLU A 1 5.644 16.921 4.232 1.00 0.00 C ATOM 8 OE1 GLU A 1 6.650 17.267 3.634 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.317 17.354 5.324 1.00 0.00 O ATOM 0 H1 GLU A 1 2.383 17.912 3.388 1.00 0.00 H new ATOM 0 H2 GLU A 1 0.930 17.102 3.049 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.986 16.491 4.229 1.00 0.00 H new ATOM 0 HA GLU A 1 2.222 16.422 1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.606 16.056 1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.285 17.551 2.276 1.00 0.00 H new ATOM 0 HG2 GLU A 1 3.952 15.576 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.311 14.987 3.325 1.00 0.00 H new ATOM 18 N THR A 2 1.192 14.306 2.884 1.00 0.00 N ATOM 19 CA THR A 2 0.909 12.870 3.164 1.00 0.00 C ATOM 20 C THR A 2 0.198 12.249 1.959 1.00 0.00 C ATOM 21 O THR A 2 -0.789 12.767 1.475 1.00 0.00 O ATOM 22 CB THR A 2 0.015 12.758 4.401 1.00 0.00 C ATOM 23 OG1 THR A 2 0.194 13.907 5.217 1.00 0.00 O ATOM 24 CG2 THR A 2 0.387 11.503 5.193 1.00 0.00 C ATOM 0 H THR A 2 0.392 14.932 2.977 1.00 0.00 H new ATOM 0 HA THR A 2 1.845 12.342 3.346 1.00 0.00 H new ATOM 0 HB THR A 2 -1.028 12.691 4.091 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.379 13.838 6.009 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.251 11.426 6.073 1.00 0.00 H new ATOM 0 HG22 THR A 2 0.248 10.622 4.566 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.430 11.565 5.505 1.00 0.00 H new ATOM 32 N TYR A 3 0.691 11.145 1.470 1.00 0.00 N ATOM 33 CA TYR A 3 0.042 10.496 0.296 1.00 0.00 C ATOM 34 C TYR A 3 -1.030 9.517 0.778 1.00 0.00 C ATOM 35 O TYR A 3 -0.740 8.543 1.443 1.00 0.00 O ATOM 36 CB TYR A 3 1.094 9.739 -0.517 1.00 0.00 C ATOM 37 CG TYR A 3 2.241 10.664 -0.846 1.00 0.00 C ATOM 38 CD1 TYR A 3 3.268 10.866 0.084 1.00 0.00 C ATOM 39 CD2 TYR A 3 2.279 11.320 -2.083 1.00 0.00 C ATOM 40 CE1 TYR A 3 4.331 11.724 -0.222 1.00 0.00 C ATOM 41 CE2 TYR A 3 3.342 12.178 -2.389 1.00 0.00 C ATOM 42 CZ TYR A 3 4.369 12.379 -1.459 1.00 0.00 C ATOM 43 OH TYR A 3 5.417 13.225 -1.761 1.00 0.00 O ATOM 0 H TYR A 3 1.515 10.664 1.832 1.00 0.00 H new ATOM 0 HA TYR A 3 -0.420 11.261 -0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.457 8.880 0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 3 0.650 9.352 -1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.240 10.360 1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 3 1.488 11.164 -2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.122 11.881 0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.370 12.685 -3.342 1.00 0.00 H new ATOM 0 HH TYR A 3 5.289 13.596 -2.659 1.00 0.00 H new ATOM 53 N THR A 4 -2.266 9.767 0.445 1.00 0.00 N ATOM 54 CA THR A 4 -3.355 8.851 0.880 1.00 0.00 C ATOM 55 C THR A 4 -4.038 8.256 -0.353 1.00 0.00 C ATOM 56 O THR A 4 -4.572 8.965 -1.183 1.00 0.00 O ATOM 57 CB THR A 4 -4.379 9.631 1.710 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.831 9.916 2.989 1.00 0.00 O ATOM 59 CG2 THR A 4 -5.651 8.797 1.873 1.00 0.00 C ATOM 0 H THR A 4 -2.568 10.567 -0.110 1.00 0.00 H new ATOM 0 HA THR A 4 -2.937 8.048 1.487 1.00 0.00 H new ATOM 0 HB THR A 4 -4.623 10.564 1.202 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.485 10.416 3.521 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.378 9.354 2.464 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.072 8.579 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.411 7.863 2.380 1.00 0.00 H new ATOM 67 N VAL A 5 -4.027 6.957 -0.479 1.00 0.00 N ATOM 68 CA VAL A 5 -4.677 6.314 -1.657 1.00 0.00 C ATOM 69 C VAL A 5 -5.963 5.618 -1.210 1.00 0.00 C ATOM 70 O VAL A 5 -5.934 4.548 -0.634 1.00 0.00 O ATOM 71 CB VAL A 5 -3.730 5.284 -2.280 1.00 0.00 C ATOM 72 CG1 VAL A 5 -2.898 5.956 -3.373 1.00 0.00 C ATOM 73 CG2 VAL A 5 -2.796 4.722 -1.204 1.00 0.00 C ATOM 0 H VAL A 5 -3.596 6.312 0.183 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.911 7.078 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.314 4.471 -2.711 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.223 5.225 -3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.560 6.353 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.317 6.770 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.124 3.990 -1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.211 5.533 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.387 4.243 -0.424 1.00 0.00 H new ATOM 83 N LYS A 6 -7.092 6.218 -1.470 1.00 0.00 N ATOM 84 CA LYS A 6 -8.381 5.594 -1.061 1.00 0.00 C ATOM 85 C LYS A 6 -8.776 4.525 -2.081 1.00 0.00 C ATOM 86 O LYS A 6 -9.546 4.772 -2.987 1.00 0.00 O ATOM 87 CB LYS A 6 -9.471 6.666 -0.997 1.00 0.00 C ATOM 88 CG LYS A 6 -10.265 6.510 0.302 1.00 0.00 C ATOM 89 CD LYS A 6 -11.354 7.584 0.371 1.00 0.00 C ATOM 90 CE LYS A 6 -10.829 8.796 1.142 1.00 0.00 C ATOM 91 NZ LYS A 6 -11.689 9.979 0.854 1.00 0.00 N ATOM 0 H LYS A 6 -7.177 7.115 -1.949 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.266 5.135 -0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.023 7.659 -1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.136 6.575 -1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.715 5.518 0.348 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.599 6.598 1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.651 7.881 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.242 7.185 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.826 8.587 2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.798 9.004 0.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.332 10.803 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.670 10.182 -0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.666 9.778 1.148 1.00 0.00 H new ATOM 105 N LEU A 7 -8.253 3.338 -1.939 1.00 0.00 N ATOM 106 CA LEU A 7 -8.592 2.252 -2.893 1.00 0.00 C ATOM 107 C LEU A 7 -10.107 2.200 -3.097 1.00 0.00 C ATOM 108 O LEU A 7 -10.858 2.885 -2.432 1.00 0.00 O ATOM 109 CB LEU A 7 -8.110 0.911 -2.331 1.00 0.00 C ATOM 110 CG LEU A 7 -8.122 0.941 -0.801 1.00 0.00 C ATOM 111 CD1 LEU A 7 -8.753 -0.349 -0.274 1.00 0.00 C ATOM 112 CD2 LEU A 7 -6.686 1.053 -0.283 1.00 0.00 C ATOM 0 H LEU A 7 -7.603 3.075 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.104 2.446 -3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.752 0.107 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.103 0.700 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.701 1.798 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.763 -0.330 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.775 -0.432 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.172 -1.205 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.693 1.075 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.108 0.195 -0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.233 1.970 -0.661 1.00 0.00 H new ATOM 124 N GLY A 8 -10.563 1.387 -4.012 1.00 0.00 N ATOM 125 CA GLY A 8 -12.030 1.287 -4.258 1.00 0.00 C ATOM 126 C GLY A 8 -12.471 2.410 -5.197 1.00 0.00 C ATOM 127 O GLY A 8 -12.757 3.511 -4.772 1.00 0.00 O ATOM 0 H GLY A 8 -9.983 0.788 -4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.270 0.318 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.572 1.354 -3.315 1.00 0.00 H new ATOM 131 N SER A 9 -12.529 2.140 -6.471 1.00 0.00 N ATOM 132 CA SER A 9 -12.952 3.193 -7.436 1.00 0.00 C ATOM 133 C SER A 9 -14.252 3.838 -6.952 1.00 0.00 C ATOM 134 O SER A 9 -14.256 4.940 -6.442 1.00 0.00 O ATOM 135 CB SER A 9 -13.178 2.564 -8.810 1.00 0.00 C ATOM 136 OG SER A 9 -14.269 1.655 -8.737 1.00 0.00 O ATOM 0 H SER A 9 -12.302 1.236 -6.886 1.00 0.00 H new ATOM 0 HA SER A 9 -12.174 3.953 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.384 3.339 -9.548 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.278 2.044 -9.137 1.00 0.00 H new ATOM 0 HG SER A 9 -14.008 0.873 -8.207 1.00 0.00 H new ATOM 142 N ASP A 10 -15.356 3.161 -7.110 1.00 0.00 N ATOM 143 CA ASP A 10 -16.654 3.738 -6.661 1.00 0.00 C ATOM 144 C ASP A 10 -17.758 2.687 -6.801 1.00 0.00 C ATOM 145 O ASP A 10 -18.250 2.157 -5.825 1.00 0.00 O ATOM 146 CB ASP A 10 -16.994 4.953 -7.527 1.00 0.00 C ATOM 147 CG ASP A 10 -18.129 5.744 -6.875 1.00 0.00 C ATOM 148 OD1 ASP A 10 -19.067 5.120 -6.406 1.00 0.00 O ATOM 149 OD2 ASP A 10 -18.041 6.961 -6.855 1.00 0.00 O ATOM 0 H ASP A 10 -15.415 2.234 -7.530 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.575 4.043 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.115 5.587 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.289 4.630 -8.525 1.00 0.00 H new ATOM 154 N LYS A 11 -18.150 2.382 -8.007 1.00 0.00 N ATOM 155 CA LYS A 11 -19.221 1.367 -8.206 1.00 0.00 C ATOM 156 C LYS A 11 -18.825 0.428 -9.347 1.00 0.00 C ATOM 157 O LYS A 11 -19.550 0.261 -10.308 1.00 0.00 O ATOM 158 CB LYS A 11 -20.534 2.071 -8.554 1.00 0.00 C ATOM 159 CG LYS A 11 -21.673 1.459 -7.735 1.00 0.00 C ATOM 160 CD LYS A 11 -22.245 2.513 -6.784 1.00 0.00 C ATOM 161 CE LYS A 11 -23.751 2.646 -7.019 1.00 0.00 C ATOM 162 NZ LYS A 11 -24.444 2.842 -5.714 1.00 0.00 N ATOM 0 H LYS A 11 -17.775 2.792 -8.863 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.352 0.791 -7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -20.454 3.138 -8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.742 1.970 -9.619 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -22.455 1.091 -8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.308 0.603 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -22.051 2.229 -5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -21.754 3.472 -6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -23.953 3.489 -7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -24.132 1.753 -7.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -25.468 2.932 -5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -24.261 2.025 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -24.088 3.706 -5.258 1.00 0.00 H new ATOM 176 N GLY A 12 -17.678 -0.186 -9.248 1.00 0.00 N ATOM 177 CA GLY A 12 -17.234 -1.114 -10.326 1.00 0.00 C ATOM 178 C GLY A 12 -16.129 -2.026 -9.789 1.00 0.00 C ATOM 179 O GLY A 12 -16.392 -3.047 -9.185 1.00 0.00 O ATOM 0 H GLY A 12 -17.029 -0.085 -8.467 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.076 -1.712 -10.676 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.868 -0.546 -11.182 1.00 0.00 H new ATOM 183 N LEU A 13 -14.893 -1.665 -10.005 1.00 0.00 N ATOM 184 CA LEU A 13 -13.771 -2.510 -9.506 1.00 0.00 C ATOM 185 C LEU A 13 -13.008 -1.753 -8.417 1.00 0.00 C ATOM 186 O LEU A 13 -13.172 -0.561 -8.245 1.00 0.00 O ATOM 187 CB LEU A 13 -12.823 -2.829 -10.664 1.00 0.00 C ATOM 188 CG LEU A 13 -12.936 -4.311 -11.024 1.00 0.00 C ATOM 189 CD1 LEU A 13 -12.299 -5.155 -9.920 1.00 0.00 C ATOM 190 CD2 LEU A 13 -14.412 -4.690 -11.166 1.00 0.00 C ATOM 0 H LEU A 13 -14.612 -0.822 -10.505 1.00 0.00 H new ATOM 0 HA LEU A 13 -14.168 -3.437 -9.093 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -13.070 -2.214 -11.529 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.797 -2.589 -10.384 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.420 -4.495 -11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.380 -6.211 -10.177 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.248 -4.886 -9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -12.815 -4.970 -8.978 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.493 -5.746 -11.423 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -14.927 -4.505 -10.224 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -14.868 -4.089 -11.953 1.00 0.00 H new ATOM 202 N LEU A 14 -12.173 -2.435 -7.679 1.00 0.00 N ATOM 203 CA LEU A 14 -11.401 -1.752 -6.601 1.00 0.00 C ATOM 204 C LEU A 14 -9.971 -1.496 -7.084 1.00 0.00 C ATOM 205 O LEU A 14 -9.266 -2.404 -7.475 1.00 0.00 O ATOM 206 CB LEU A 14 -11.368 -2.641 -5.355 1.00 0.00 C ATOM 207 CG LEU A 14 -12.789 -3.092 -5.012 1.00 0.00 C ATOM 208 CD1 LEU A 14 -12.732 -4.267 -4.035 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.549 -1.930 -4.368 1.00 0.00 C ATOM 0 H LEU A 14 -11.992 -3.434 -7.776 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.878 -0.803 -6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.732 -3.509 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.936 -2.094 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.301 -3.403 -5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.745 -4.587 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.190 -5.095 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.220 -3.958 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -14.562 -2.249 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.036 -1.620 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.591 -1.092 -5.064 1.00 0.00 H new ATOM 221 N VAL A 15 -9.538 -0.265 -7.060 1.00 0.00 N ATOM 222 CA VAL A 15 -8.154 0.047 -7.518 1.00 0.00 C ATOM 223 C VAL A 15 -7.568 1.166 -6.656 1.00 0.00 C ATOM 224 O VAL A 15 -8.285 1.917 -6.026 1.00 0.00 O ATOM 225 CB VAL A 15 -8.188 0.498 -8.979 1.00 0.00 C ATOM 226 CG1 VAL A 15 -8.605 -0.675 -9.868 1.00 0.00 C ATOM 227 CG2 VAL A 15 -9.194 1.641 -9.136 1.00 0.00 C ATOM 0 H VAL A 15 -10.082 0.538 -6.743 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.535 -0.845 -7.426 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.197 0.842 -9.276 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.629 -0.352 -10.909 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.888 -1.489 -9.757 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.596 -1.021 -9.573 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.219 1.963 -10.177 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.185 1.297 -8.839 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.896 2.478 -8.504 1.00 0.00 H new ATOM 237 N PHE A 16 -6.269 1.283 -6.624 1.00 0.00 N ATOM 238 CA PHE A 16 -5.638 2.355 -5.803 1.00 0.00 C ATOM 239 C PHE A 16 -5.879 3.712 -6.468 1.00 0.00 C ATOM 240 O PHE A 16 -6.246 3.790 -7.624 1.00 0.00 O ATOM 241 CB PHE A 16 -4.133 2.097 -5.698 1.00 0.00 C ATOM 242 CG PHE A 16 -3.861 1.151 -4.552 1.00 0.00 C ATOM 243 CD1 PHE A 16 -4.707 0.056 -4.330 1.00 0.00 C ATOM 244 CD2 PHE A 16 -2.762 1.367 -3.711 1.00 0.00 C ATOM 245 CE1 PHE A 16 -4.453 -0.821 -3.269 1.00 0.00 C ATOM 246 CE2 PHE A 16 -2.509 0.490 -2.650 1.00 0.00 C ATOM 247 CZ PHE A 16 -3.354 -0.604 -2.428 1.00 0.00 C ATOM 0 H PHE A 16 -5.618 0.683 -7.130 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.076 2.356 -4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.761 1.672 -6.630 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.603 3.036 -5.541 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.555 -0.111 -4.978 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.110 2.211 -3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.105 -1.665 -3.099 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.661 0.657 -2.002 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.159 -1.280 -1.609 1.00 0.00 H new ATOM 257 N GLU A 17 -5.678 4.782 -5.748 1.00 0.00 N ATOM 258 CA GLU A 17 -5.899 6.132 -6.341 1.00 0.00 C ATOM 259 C GLU A 17 -5.032 7.161 -5.604 1.00 0.00 C ATOM 260 O GLU A 17 -5.347 7.541 -4.494 1.00 0.00 O ATOM 261 CB GLU A 17 -7.373 6.514 -6.191 1.00 0.00 C ATOM 262 CG GLU A 17 -8.209 5.731 -7.204 1.00 0.00 C ATOM 263 CD GLU A 17 -9.368 6.602 -7.691 1.00 0.00 C ATOM 264 OE1 GLU A 17 -9.457 7.736 -7.250 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.147 6.121 -8.497 1.00 0.00 O ATOM 0 H GLU A 17 -5.371 4.780 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.629 6.116 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.714 6.299 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.500 7.585 -6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.588 5.428 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.593 4.819 -6.747 1.00 0.00 H new ATOM 272 N PRO A 18 -3.963 7.580 -6.236 1.00 0.00 N ATOM 273 CA PRO A 18 -3.578 7.123 -7.583 1.00 0.00 C ATOM 274 C PRO A 18 -2.954 5.726 -7.516 1.00 0.00 C ATOM 275 O PRO A 18 -2.656 5.219 -6.453 1.00 0.00 O ATOM 276 CB PRO A 18 -2.548 8.163 -8.032 1.00 0.00 C ATOM 277 CG PRO A 18 -1.993 8.817 -6.749 1.00 0.00 C ATOM 278 CD PRO A 18 -3.030 8.559 -5.645 1.00 0.00 C ATOM 0 HA PRO A 18 -4.422 7.043 -8.268 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.748 7.694 -8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.008 8.909 -8.679 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.027 8.389 -6.482 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -1.838 9.886 -6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.560 8.166 -4.743 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.545 9.477 -5.362 1.00 0.00 H new ATOM 286 N ALA A 19 -2.760 5.098 -8.643 1.00 0.00 N ATOM 287 CA ALA A 19 -2.161 3.735 -8.644 1.00 0.00 C ATOM 288 C ALA A 19 -0.675 3.823 -8.286 1.00 0.00 C ATOM 289 O ALA A 19 -0.091 2.880 -7.791 1.00 0.00 O ATOM 290 CB ALA A 19 -2.315 3.111 -10.032 1.00 0.00 C ATOM 0 H ALA A 19 -2.991 5.471 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.673 3.116 -7.907 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.876 2.113 -10.033 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.373 3.043 -10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.805 3.732 -10.769 1.00 0.00 H new ATOM 296 N LYS A 20 -0.055 4.945 -8.536 1.00 0.00 N ATOM 297 CA LYS A 20 1.394 5.079 -8.212 1.00 0.00 C ATOM 298 C LYS A 20 1.581 6.088 -7.077 1.00 0.00 C ATOM 299 O LYS A 20 0.722 6.904 -6.806 1.00 0.00 O ATOM 300 CB LYS A 20 2.152 5.563 -9.450 1.00 0.00 C ATOM 301 CG LYS A 20 2.397 4.383 -10.390 1.00 0.00 C ATOM 302 CD LYS A 20 3.728 3.716 -10.038 1.00 0.00 C ATOM 303 CE LYS A 20 4.451 3.310 -11.323 1.00 0.00 C ATOM 304 NZ LYS A 20 3.695 2.216 -11.995 1.00 0.00 N ATOM 0 H LYS A 20 -0.487 5.771 -8.949 1.00 0.00 H new ATOM 0 HA LYS A 20 1.782 4.109 -7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.579 6.336 -9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.101 6.011 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.584 3.662 -10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.413 4.726 -11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.348 4.401 -9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.554 2.840 -9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.539 4.168 -11.990 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.464 2.979 -11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.252 1.848 -12.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.515 1.450 -11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.789 2.586 -12.348 1.00 0.00 H new ATOM 318 N LEU A 21 2.704 6.039 -6.413 1.00 0.00 N ATOM 319 CA LEU A 21 2.959 6.992 -5.297 1.00 0.00 C ATOM 320 C LEU A 21 4.437 7.381 -5.293 1.00 0.00 C ATOM 321 O LEU A 21 5.297 6.589 -4.962 1.00 0.00 O ATOM 322 CB LEU A 21 2.602 6.329 -3.967 1.00 0.00 C ATOM 323 CG LEU A 21 1.082 6.290 -3.810 1.00 0.00 C ATOM 324 CD1 LEU A 21 0.684 5.041 -3.024 1.00 0.00 C ATOM 325 CD2 LEU A 21 0.616 7.538 -3.056 1.00 0.00 C ATOM 0 H LEU A 21 3.458 5.377 -6.597 1.00 0.00 H new ATOM 0 HA LEU A 21 2.347 7.884 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.008 5.318 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.050 6.882 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 21 0.614 6.264 -4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.400 5.012 -2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.017 4.152 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.151 5.067 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.468 7.512 -2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.083 7.564 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.901 8.429 -3.616 1.00 0.00 H new ATOM 337 N THR A 22 4.740 8.593 -5.664 1.00 0.00 N ATOM 338 CA THR A 22 6.164 9.027 -5.686 1.00 0.00 C ATOM 339 C THR A 22 6.550 9.602 -4.323 1.00 0.00 C ATOM 340 O THR A 22 6.416 10.784 -4.077 1.00 0.00 O ATOM 341 CB THR A 22 6.352 10.097 -6.765 1.00 0.00 C ATOM 342 OG1 THR A 22 5.656 9.708 -7.940 1.00 0.00 O ATOM 343 CG2 THR A 22 7.841 10.254 -7.079 1.00 0.00 C ATOM 0 H THR A 22 4.065 9.301 -5.952 1.00 0.00 H new ATOM 0 HA THR A 22 6.800 8.170 -5.907 1.00 0.00 H new ATOM 0 HB THR A 22 5.958 11.048 -6.406 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.774 10.392 -8.632 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.972 11.016 -7.847 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.374 10.553 -6.176 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.239 9.305 -7.438 1.00 0.00 H new ATOM 351 N ILE A 23 7.035 8.776 -3.435 1.00 0.00 N ATOM 352 CA ILE A 23 7.433 9.280 -2.095 1.00 0.00 C ATOM 353 C ILE A 23 8.948 9.441 -2.036 1.00 0.00 C ATOM 354 O ILE A 23 9.667 9.017 -2.919 1.00 0.00 O ATOM 355 CB ILE A 23 6.997 8.291 -1.011 1.00 0.00 C ATOM 356 CG1 ILE A 23 7.294 6.859 -1.468 1.00 0.00 C ATOM 357 CG2 ILE A 23 5.500 8.444 -0.757 1.00 0.00 C ATOM 358 CD1 ILE A 23 7.803 6.036 -0.281 1.00 0.00 C ATOM 0 H ILE A 23 7.172 7.776 -3.582 1.00 0.00 H new ATOM 0 HA ILE A 23 6.950 10.243 -1.925 1.00 0.00 H new ATOM 0 HB ILE A 23 7.546 8.497 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.393 6.404 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.039 6.868 -2.264 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.188 7.740 0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.289 9.461 -0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.952 8.240 -1.677 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.014 5.018 -0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.715 6.487 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.043 6.016 0.500 1.00 0.00 H new ATOM 370 N LYS A 24 9.438 10.031 -0.986 1.00 0.00 N ATOM 371 CA LYS A 24 10.906 10.201 -0.842 1.00 0.00 C ATOM 372 C LYS A 24 11.447 8.920 -0.180 1.00 0.00 C ATOM 373 O LYS A 24 10.743 7.930 -0.153 1.00 0.00 O ATOM 374 CB LYS A 24 11.176 11.439 0.021 1.00 0.00 C ATOM 375 CG LYS A 24 10.110 12.503 -0.247 1.00 0.00 C ATOM 376 CD LYS A 24 10.444 13.765 0.550 1.00 0.00 C ATOM 377 CE LYS A 24 10.333 14.986 -0.364 1.00 0.00 C ATOM 378 NZ LYS A 24 10.583 16.224 0.426 1.00 0.00 N ATOM 0 H LYS A 24 8.882 10.405 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 24 11.400 10.350 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.172 11.165 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.165 11.839 -0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.068 12.732 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.127 12.129 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.763 13.866 1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.452 13.694 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.053 14.910 -1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.342 15.025 -0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.507 17.054 -0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.879 16.297 1.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.537 16.186 0.838 1.00 0.00 H new ATOM 392 N PRO A 25 12.655 8.938 0.341 1.00 0.00 N ATOM 393 CA PRO A 25 13.212 7.741 0.988 1.00 0.00 C ATOM 394 C PRO A 25 12.556 7.554 2.355 1.00 0.00 C ATOM 395 O PRO A 25 13.199 7.602 3.385 1.00 0.00 O ATOM 396 CB PRO A 25 14.710 8.040 1.094 1.00 0.00 C ATOM 397 CG PRO A 25 14.856 9.575 1.009 1.00 0.00 C ATOM 398 CD PRO A 25 13.566 10.106 0.356 1.00 0.00 C ATOM 0 HA PRO A 25 13.034 6.815 0.441 1.00 0.00 H new ATOM 0 HB2 PRO A 25 15.116 7.663 2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 25 15.261 7.552 0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 25 14.994 10.006 2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 25 15.730 9.849 0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 25 13.143 10.933 0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.754 10.477 -0.652 1.00 0.00 H new ATOM 406 N GLY A 26 11.265 7.348 2.358 1.00 0.00 N ATOM 407 CA GLY A 26 10.531 7.164 3.637 1.00 0.00 C ATOM 408 C GLY A 26 9.165 7.844 3.530 1.00 0.00 C ATOM 409 O GLY A 26 8.203 7.262 3.075 1.00 0.00 O ATOM 0 H GLY A 26 10.686 7.300 1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.407 6.102 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.100 7.591 4.463 1.00 0.00 H new ATOM 413 N ASP A 27 9.076 9.078 3.932 1.00 0.00 N ATOM 414 CA ASP A 27 7.779 9.796 3.848 1.00 0.00 C ATOM 415 C ASP A 27 6.676 8.934 4.464 1.00 0.00 C ATOM 416 O ASP A 27 6.929 7.871 4.994 1.00 0.00 O ATOM 417 CB ASP A 27 7.463 10.074 2.382 1.00 0.00 C ATOM 418 CG ASP A 27 8.038 11.434 1.986 1.00 0.00 C ATOM 419 OD1 ASP A 27 9.139 11.737 2.415 1.00 0.00 O ATOM 420 OD2 ASP A 27 7.368 12.150 1.261 1.00 0.00 O ATOM 0 H ASP A 27 9.849 9.622 4.316 1.00 0.00 H new ATOM 0 HA ASP A 27 7.839 10.737 4.394 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.886 9.291 1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.385 10.063 2.223 1.00 0.00 H new ATOM 425 N THR A 28 5.455 9.387 4.403 1.00 0.00 N ATOM 426 CA THR A 28 4.339 8.600 4.988 1.00 0.00 C ATOM 427 C THR A 28 3.294 8.314 3.908 1.00 0.00 C ATOM 428 O THR A 28 3.020 9.141 3.062 1.00 0.00 O ATOM 429 CB THR A 28 3.694 9.398 6.124 1.00 0.00 C ATOM 430 OG1 THR A 28 4.684 9.731 7.087 1.00 0.00 O ATOM 431 CG2 THR A 28 2.599 8.560 6.784 1.00 0.00 C ATOM 0 H THR A 28 5.183 10.271 3.972 1.00 0.00 H new ATOM 0 HA THR A 28 4.724 7.658 5.378 1.00 0.00 H new ATOM 0 HB THR A 28 3.255 10.311 5.722 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.273 10.244 7.814 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.142 9.131 7.592 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.840 8.306 6.044 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.034 7.645 7.187 1.00 0.00 H new ATOM 439 N VAL A 29 2.708 7.148 3.931 1.00 0.00 N ATOM 440 CA VAL A 29 1.683 6.810 2.911 1.00 0.00 C ATOM 441 C VAL A 29 0.392 6.384 3.613 1.00 0.00 C ATOM 442 O VAL A 29 0.418 5.829 4.693 1.00 0.00 O ATOM 443 CB VAL A 29 2.191 5.666 2.032 1.00 0.00 C ATOM 444 CG1 VAL A 29 1.433 5.666 0.704 1.00 0.00 C ATOM 445 CG2 VAL A 29 3.686 5.857 1.765 1.00 0.00 C ATOM 0 H VAL A 29 2.897 6.415 4.615 1.00 0.00 H new ATOM 0 HA VAL A 29 1.488 7.682 2.287 1.00 0.00 H new ATOM 0 HB VAL A 29 2.029 4.716 2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.796 4.851 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.368 5.532 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.595 6.615 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.051 5.043 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.846 6.807 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.227 5.857 2.711 1.00 0.00 H new ATOM 455 N GLU A 30 -0.737 6.642 3.013 1.00 0.00 N ATOM 456 CA GLU A 30 -2.021 6.253 3.652 1.00 0.00 C ATOM 457 C GLU A 30 -2.859 5.430 2.670 1.00 0.00 C ATOM 458 O GLU A 30 -3.025 5.793 1.523 1.00 0.00 O ATOM 459 CB GLU A 30 -2.794 7.510 4.056 1.00 0.00 C ATOM 460 CG GLU A 30 -2.905 7.573 5.581 1.00 0.00 C ATOM 461 CD GLU A 30 -4.030 8.532 5.972 1.00 0.00 C ATOM 462 OE1 GLU A 30 -5.156 8.078 6.089 1.00 0.00 O ATOM 463 OE2 GLU A 30 -3.746 9.706 6.149 1.00 0.00 O ATOM 0 H GLU A 30 -0.824 7.105 2.108 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.814 5.654 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.286 8.398 3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.788 7.498 3.609 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.104 6.580 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.961 7.908 6.011 1.00 0.00 H new ATOM 470 N PHE A 31 -3.391 4.325 3.118 1.00 0.00 N ATOM 471 CA PHE A 31 -4.226 3.472 2.219 1.00 0.00 C ATOM 472 C PHE A 31 -5.446 2.987 3.007 1.00 0.00 C ATOM 473 O PHE A 31 -5.340 2.125 3.856 1.00 0.00 O ATOM 474 CB PHE A 31 -3.410 2.262 1.728 1.00 0.00 C ATOM 475 CG PHE A 31 -1.948 2.436 2.082 1.00 0.00 C ATOM 476 CD1 PHE A 31 -1.541 2.379 3.421 1.00 0.00 C ATOM 477 CD2 PHE A 31 -1.001 2.659 1.074 1.00 0.00 C ATOM 478 CE1 PHE A 31 -0.191 2.543 3.751 1.00 0.00 C ATOM 479 CE2 PHE A 31 0.349 2.824 1.405 1.00 0.00 C ATOM 480 CZ PHE A 31 0.754 2.766 2.744 1.00 0.00 C ATOM 0 H PHE A 31 -3.284 3.974 4.070 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.544 4.050 1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.794 1.348 2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.520 2.154 0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.270 2.208 4.200 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.313 2.704 0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.121 2.497 4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.078 2.996 0.627 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.796 2.893 2.999 1.00 0.00 H new ATOM 490 N LEU A 32 -6.601 3.547 2.754 1.00 0.00 N ATOM 491 CA LEU A 32 -7.811 3.128 3.518 1.00 0.00 C ATOM 492 C LEU A 32 -8.664 2.156 2.704 1.00 0.00 C ATOM 493 O LEU A 32 -8.268 1.682 1.657 1.00 0.00 O ATOM 494 CB LEU A 32 -8.669 4.350 3.893 1.00 0.00 C ATOM 495 CG LEU A 32 -7.930 5.654 3.574 1.00 0.00 C ATOM 496 CD1 LEU A 32 -8.808 6.844 3.965 1.00 0.00 C ATOM 497 CD2 LEU A 32 -6.622 5.706 4.366 1.00 0.00 C ATOM 0 H LEU A 32 -6.757 4.273 2.055 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.467 2.631 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.612 4.319 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.914 4.316 4.955 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.711 5.696 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.284 7.773 3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.741 6.808 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.025 6.801 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.096 6.633 4.139 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.841 5.664 5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.996 4.857 4.091 1.00 0.00 H new ATOM 509 N ASN A 33 -9.838 1.851 3.197 1.00 0.00 N ATOM 510 CA ASN A 33 -10.736 0.902 2.483 1.00 0.00 C ATOM 511 C ASN A 33 -11.882 1.675 1.817 1.00 0.00 C ATOM 512 O ASN A 33 -12.089 2.844 2.079 1.00 0.00 O ATOM 513 CB ASN A 33 -11.285 -0.123 3.494 1.00 0.00 C ATOM 514 CG ASN A 33 -12.596 0.349 4.122 1.00 0.00 C ATOM 515 OD1 ASN A 33 -12.904 1.525 4.132 1.00 0.00 O ATOM 516 ND2 ASN A 33 -13.379 -0.535 4.666 1.00 0.00 N ATOM 0 H ASN A 33 -10.213 2.223 4.070 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.182 0.375 1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.444 -1.078 2.994 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.547 -0.293 4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.253 -0.242 5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.119 -1.521 4.657 1.00 0.00 H new ATOM 523 N ASN A 34 -12.626 1.032 0.961 1.00 0.00 N ATOM 524 CA ASN A 34 -13.755 1.730 0.284 1.00 0.00 C ATOM 525 C ASN A 34 -15.080 1.099 0.728 1.00 0.00 C ATOM 526 O ASN A 34 -15.244 0.728 1.873 1.00 0.00 O ATOM 527 CB ASN A 34 -13.596 1.592 -1.231 1.00 0.00 C ATOM 528 CG ASN A 34 -14.223 2.804 -1.924 1.00 0.00 C ATOM 529 OD1 ASN A 34 -14.178 3.904 -1.409 1.00 0.00 O ATOM 530 ND2 ASN A 34 -14.810 2.649 -3.079 1.00 0.00 N ATOM 0 H ASN A 34 -12.501 0.054 0.701 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.752 2.786 0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.540 1.517 -1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.075 0.675 -1.575 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.231 3.451 -3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -14.848 1.726 -3.512 1.00 0.00 H new ATOM 537 N LYS A 35 -16.028 0.969 -0.165 1.00 0.00 N ATOM 538 CA LYS A 35 -17.332 0.355 0.223 1.00 0.00 C ATOM 539 C LYS A 35 -17.348 -1.111 -0.212 1.00 0.00 C ATOM 540 O LYS A 35 -18.364 -1.642 -0.614 1.00 0.00 O ATOM 541 CB LYS A 35 -18.490 1.105 -0.446 1.00 0.00 C ATOM 542 CG LYS A 35 -18.040 1.665 -1.797 1.00 0.00 C ATOM 543 CD LYS A 35 -19.257 2.189 -2.563 1.00 0.00 C ATOM 544 CE LYS A 35 -19.776 1.103 -3.507 1.00 0.00 C ATOM 545 NZ LYS A 35 -20.987 0.467 -2.916 1.00 0.00 N ATOM 0 H LYS A 35 -15.956 1.260 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 35 -17.451 0.419 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.337 0.433 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.829 1.916 0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.318 2.468 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -17.539 0.889 -2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.040 2.482 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.986 3.079 -3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.017 1.535 -4.478 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.003 0.353 -3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.475 -0.094 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.705 -0.154 -2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.628 1.205 -2.560 1.00 0.00 H new ATOM 559 N VAL A 36 -16.224 -1.766 -0.128 1.00 0.00 N ATOM 560 CA VAL A 36 -16.151 -3.201 -0.527 1.00 0.00 C ATOM 561 C VAL A 36 -15.047 -3.882 0.285 1.00 0.00 C ATOM 562 O VAL A 36 -14.076 -4.352 -0.270 1.00 0.00 O ATOM 563 CB VAL A 36 -15.820 -3.301 -2.018 1.00 0.00 C ATOM 564 CG1 VAL A 36 -16.310 -4.644 -2.563 1.00 0.00 C ATOM 565 CG2 VAL A 36 -16.511 -2.163 -2.770 1.00 0.00 C ATOM 0 H VAL A 36 -15.346 -1.366 0.202 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.108 -3.688 -0.338 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.741 -3.227 -2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -16.074 -4.714 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -15.817 -5.456 -2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -17.389 -4.721 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.276 -2.233 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.590 -2.237 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.161 -1.206 -2.383 1.00 0.00 H new ATOM 575 N PRO A 37 -15.223 -3.895 1.579 1.00 0.00 N ATOM 576 CA PRO A 37 -14.245 -4.491 2.511 1.00 0.00 C ATOM 577 C PRO A 37 -14.353 -6.021 2.515 1.00 0.00 C ATOM 578 O PRO A 37 -15.235 -6.580 1.893 1.00 0.00 O ATOM 579 CB PRO A 37 -14.658 -3.914 3.870 1.00 0.00 C ATOM 580 CG PRO A 37 -16.142 -3.501 3.739 1.00 0.00 C ATOM 581 CD PRO A 37 -16.416 -3.321 2.236 1.00 0.00 C ATOM 0 HA PRO A 37 -13.212 -4.267 2.245 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.529 -4.653 4.661 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.038 -3.056 4.132 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -16.795 -4.263 4.164 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -16.336 -2.576 4.282 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -17.326 -3.839 1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.546 -2.270 1.978 1.00 0.00 H new ATOM 589 N PRO A 38 -13.464 -6.652 3.246 1.00 0.00 N ATOM 590 CA PRO A 38 -12.394 -5.970 3.998 1.00 0.00 C ATOM 591 C PRO A 38 -11.155 -5.773 3.120 1.00 0.00 C ATOM 592 O PRO A 38 -10.956 -6.471 2.148 1.00 0.00 O ATOM 593 CB PRO A 38 -12.076 -6.955 5.121 1.00 0.00 C ATOM 594 CG PRO A 38 -12.520 -8.352 4.614 1.00 0.00 C ATOM 595 CD PRO A 38 -13.472 -8.114 3.424 1.00 0.00 C ATOM 0 HA PRO A 38 -12.689 -4.981 4.349 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.012 -6.947 5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.606 -6.687 6.035 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.658 -8.943 4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.022 -8.908 5.405 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.125 -8.627 2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -14.475 -8.485 3.635 1.00 0.00 H new ATOM 603 N HIS A 39 -10.313 -4.839 3.470 1.00 0.00 N ATOM 604 CA HIS A 39 -9.082 -4.605 2.662 1.00 0.00 C ATOM 605 C HIS A 39 -7.843 -4.767 3.544 1.00 0.00 C ATOM 606 O HIS A 39 -7.913 -4.697 4.755 1.00 0.00 O ATOM 607 CB HIS A 39 -9.108 -3.187 2.088 1.00 0.00 C ATOM 608 CG HIS A 39 -10.223 -3.071 1.092 1.00 0.00 C ATOM 609 ND1 HIS A 39 -10.014 -3.221 -0.276 1.00 0.00 N ATOM 610 CD2 HIS A 39 -11.562 -2.823 1.249 1.00 0.00 C ATOM 611 CE1 HIS A 39 -11.209 -3.059 -0.875 1.00 0.00 C ATOM 612 NE2 HIS A 39 -12.172 -2.823 0.008 1.00 0.00 N ATOM 0 H HIS A 39 -10.424 -4.228 4.280 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.046 -5.331 1.849 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.245 -2.461 2.890 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.155 -2.959 1.611 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -12.061 -2.654 2.192 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.365 -3.114 -1.942 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.161 -2.672 -0.189 1.00 0.00 H new ATOM 620 N ASN A 40 -6.706 -4.975 2.940 1.00 0.00 N ATOM 621 CA ASN A 40 -5.454 -5.135 3.727 1.00 0.00 C ATOM 622 C ASN A 40 -4.322 -4.400 3.009 1.00 0.00 C ATOM 623 O ASN A 40 -4.444 -4.028 1.859 1.00 0.00 O ATOM 624 CB ASN A 40 -5.109 -6.622 3.844 1.00 0.00 C ATOM 625 CG ASN A 40 -4.665 -6.933 5.274 1.00 0.00 C ATOM 626 OD1 ASN A 40 -5.501 -6.747 6.259 1.00 0.00 O flip ATOM 627 ND2 ASN A 40 -3.546 -7.350 5.498 1.00 0.00 N flip ATOM 0 H ASN A 40 -6.591 -5.041 1.929 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.588 -4.720 4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.975 -7.229 3.581 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -4.316 -6.878 3.142 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.892 -7.495 4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.260 -7.555 6.456 1.00 0.00 H new ATOM 634 N VAL A 41 -3.223 -4.184 3.673 1.00 0.00 N ATOM 635 CA VAL A 41 -2.090 -3.470 3.020 1.00 0.00 C ATOM 636 C VAL A 41 -0.781 -4.172 3.380 1.00 0.00 C ATOM 637 O VAL A 41 -0.377 -4.205 4.525 1.00 0.00 O ATOM 638 CB VAL A 41 -2.058 -2.021 3.509 1.00 0.00 C ATOM 639 CG1 VAL A 41 -0.738 -1.368 3.098 1.00 0.00 C ATOM 640 CG2 VAL A 41 -3.224 -1.249 2.886 1.00 0.00 C ATOM 0 H VAL A 41 -3.059 -4.470 4.638 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.217 -3.480 1.938 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.146 -2.004 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.718 -0.336 3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.093 -1.917 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.646 -1.385 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.203 -0.216 3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.134 -1.269 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.166 -1.712 3.181 1.00 0.00 H new ATOM 650 N VAL A 42 -0.119 -4.744 2.412 1.00 0.00 N ATOM 651 CA VAL A 42 1.159 -5.455 2.706 1.00 0.00 C ATOM 652 C VAL A 42 2.134 -5.258 1.541 1.00 0.00 C ATOM 653 O VAL A 42 1.795 -4.687 0.524 1.00 0.00 O ATOM 654 CB VAL A 42 0.897 -6.961 2.899 1.00 0.00 C ATOM 655 CG1 VAL A 42 1.398 -7.400 4.275 1.00 0.00 C ATOM 656 CG2 VAL A 42 -0.604 -7.260 2.798 1.00 0.00 C ATOM 0 H VAL A 42 -0.406 -4.750 1.433 1.00 0.00 H new ATOM 0 HA VAL A 42 1.588 -5.046 3.621 1.00 0.00 H new ATOM 0 HB VAL A 42 1.427 -7.507 2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.211 -8.466 4.407 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.468 -7.207 4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.873 -6.840 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.772 -8.328 2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.138 -6.705 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.970 -6.959 1.816 1.00 0.00 H new ATOM 666 N PHE A 43 3.344 -5.730 1.684 1.00 0.00 N ATOM 667 CA PHE A 43 4.342 -5.574 0.588 1.00 0.00 C ATOM 668 C PHE A 43 5.014 -6.922 0.317 1.00 0.00 C ATOM 669 O PHE A 43 5.751 -7.434 1.137 1.00 0.00 O ATOM 670 CB PHE A 43 5.403 -4.551 1.002 1.00 0.00 C ATOM 671 CG PHE A 43 4.731 -3.343 1.593 1.00 0.00 C ATOM 672 CD1 PHE A 43 4.144 -3.428 2.858 1.00 0.00 C ATOM 673 CD2 PHE A 43 4.699 -2.138 0.883 1.00 0.00 C ATOM 674 CE1 PHE A 43 3.527 -2.308 3.419 1.00 0.00 C ATOM 675 CE2 PHE A 43 4.078 -1.016 1.444 1.00 0.00 C ATOM 676 CZ PHE A 43 3.494 -1.103 2.713 1.00 0.00 C ATOM 0 H PHE A 43 3.684 -6.217 2.513 1.00 0.00 H new ATOM 0 HA PHE A 43 3.838 -5.228 -0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.085 -4.993 1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.001 -4.261 0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.167 -4.361 3.402 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.152 -2.074 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.076 -2.373 4.398 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.050 -0.084 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.017 -0.237 3.147 1.00 0.00 H new ATOM 686 N ASP A 44 4.766 -7.501 -0.825 1.00 0.00 N ATOM 687 CA ASP A 44 5.391 -8.815 -1.146 1.00 0.00 C ATOM 688 C ASP A 44 6.909 -8.716 -0.982 1.00 0.00 C ATOM 689 O ASP A 44 7.528 -7.757 -1.399 1.00 0.00 O ATOM 690 CB ASP A 44 5.058 -9.198 -2.590 1.00 0.00 C ATOM 691 CG ASP A 44 5.293 -10.696 -2.788 1.00 0.00 C ATOM 692 OD1 ASP A 44 6.431 -11.119 -2.663 1.00 0.00 O ATOM 693 OD2 ASP A 44 4.331 -11.396 -3.061 1.00 0.00 O ATOM 0 H ASP A 44 4.157 -7.121 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 44 5.003 -9.575 -0.468 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.021 -8.949 -2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.678 -8.627 -3.281 1.00 0.00 H new ATOM 698 N ALA A 45 7.514 -9.702 -0.378 1.00 0.00 N ATOM 699 CA ALA A 45 8.988 -9.670 -0.185 1.00 0.00 C ATOM 700 C ALA A 45 9.680 -10.299 -1.398 1.00 0.00 C ATOM 701 O ALA A 45 10.892 -10.341 -1.479 1.00 0.00 O ATOM 702 CB ALA A 45 9.351 -10.458 1.075 1.00 0.00 C ATOM 0 H ALA A 45 7.047 -10.531 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 45 9.318 -8.637 -0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.431 -10.436 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.861 -10.009 1.939 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.020 -11.491 0.966 1.00 0.00 H new ATOM 708 N ALA A 46 8.922 -10.792 -2.340 1.00 0.00 N ATOM 709 CA ALA A 46 9.542 -11.420 -3.543 1.00 0.00 C ATOM 710 C ALA A 46 9.355 -10.505 -4.755 1.00 0.00 C ATOM 711 O ALA A 46 9.552 -10.909 -5.884 1.00 0.00 O ATOM 712 CB ALA A 46 8.871 -12.767 -3.816 1.00 0.00 C ATOM 0 H ALA A 46 7.902 -10.787 -2.329 1.00 0.00 H new ATOM 0 HA ALA A 46 10.607 -11.571 -3.364 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.323 -13.227 -4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.005 -13.421 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.807 -12.614 -3.994 1.00 0.00 H new ATOM 718 N LEU A 47 8.976 -9.277 -4.533 1.00 0.00 N ATOM 719 CA LEU A 47 8.778 -8.341 -5.675 1.00 0.00 C ATOM 720 C LEU A 47 9.304 -6.957 -5.295 1.00 0.00 C ATOM 721 O LEU A 47 8.654 -5.952 -5.508 1.00 0.00 O ATOM 722 CB LEU A 47 7.287 -8.250 -6.005 1.00 0.00 C ATOM 723 CG LEU A 47 6.810 -9.580 -6.589 1.00 0.00 C ATOM 724 CD1 LEU A 47 5.545 -10.031 -5.861 1.00 0.00 C ATOM 725 CD2 LEU A 47 6.502 -9.403 -8.078 1.00 0.00 C ATOM 0 H LEU A 47 8.795 -8.881 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 47 9.320 -8.708 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.719 -8.011 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.110 -7.444 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 47 7.590 -10.331 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.204 -10.979 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.761 -10.157 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.766 -9.279 -5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.162 -10.351 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.722 -8.652 -8.201 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.403 -9.080 -8.600 1.00 0.00 H new ATOM 737 N ASN A 48 10.478 -6.898 -4.731 1.00 0.00 N ATOM 738 CA ASN A 48 11.053 -5.583 -4.333 1.00 0.00 C ATOM 739 C ASN A 48 12.420 -5.406 -5.000 1.00 0.00 C ATOM 740 O ASN A 48 12.990 -6.356 -5.499 1.00 0.00 O ATOM 741 CB ASN A 48 11.219 -5.545 -2.810 1.00 0.00 C ATOM 742 CG ASN A 48 11.538 -6.948 -2.293 1.00 0.00 C ATOM 743 OD1 ASN A 48 12.382 -7.632 -2.837 1.00 0.00 O ATOM 744 ND2 ASN A 48 10.895 -7.410 -1.256 1.00 0.00 N ATOM 0 H ASN A 48 11.066 -7.706 -4.528 1.00 0.00 H new ATOM 0 HA ASN A 48 10.387 -4.779 -4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 48 12.019 -4.856 -2.538 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.306 -5.174 -2.344 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.101 -8.344 -0.903 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.186 -6.837 -0.798 1.00 0.00 H new ATOM 751 N PRO A 49 12.911 -4.193 -4.979 1.00 0.00 N ATOM 752 CA PRO A 49 14.219 -3.860 -5.568 1.00 0.00 C ATOM 753 C PRO A 49 15.339 -4.348 -4.646 1.00 0.00 C ATOM 754 O PRO A 49 16.450 -4.594 -5.070 1.00 0.00 O ATOM 755 CB PRO A 49 14.195 -2.332 -5.662 1.00 0.00 C ATOM 756 CG PRO A 49 13.145 -1.849 -4.633 1.00 0.00 C ATOM 757 CD PRO A 49 12.211 -3.045 -4.366 1.00 0.00 C ATOM 0 HA PRO A 49 14.396 -4.327 -6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.177 -1.914 -5.441 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.930 -2.009 -6.669 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.627 -1.520 -3.712 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.585 -0.998 -5.021 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.054 -3.198 -3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.229 -2.892 -4.814 1.00 0.00 H new ATOM 765 N ALA A 50 15.040 -4.502 -3.386 1.00 0.00 N ATOM 766 CA ALA A 50 16.064 -4.988 -2.421 1.00 0.00 C ATOM 767 C ALA A 50 15.397 -5.962 -1.449 1.00 0.00 C ATOM 768 O ALA A 50 14.984 -5.588 -0.369 1.00 0.00 O ATOM 769 CB ALA A 50 16.643 -3.804 -1.644 1.00 0.00 C ATOM 0 H ALA A 50 14.124 -4.310 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 50 16.870 -5.489 -2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 50 17.392 -4.163 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 50 17.106 -3.104 -2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.844 -3.300 -1.100 1.00 0.00 H new ATOM 775 N LYS A 51 15.277 -7.207 -1.832 1.00 0.00 N ATOM 776 CA LYS A 51 14.624 -8.211 -0.942 1.00 0.00 C ATOM 777 C LYS A 51 15.050 -7.979 0.509 1.00 0.00 C ATOM 778 O LYS A 51 16.080 -8.450 0.949 1.00 0.00 O ATOM 779 CB LYS A 51 15.035 -9.620 -1.376 1.00 0.00 C ATOM 780 CG LYS A 51 13.855 -10.577 -1.188 1.00 0.00 C ATOM 781 CD LYS A 51 13.586 -11.321 -2.498 1.00 0.00 C ATOM 782 CE LYS A 51 14.568 -12.486 -2.635 1.00 0.00 C ATOM 783 NZ LYS A 51 13.833 -13.712 -3.056 1.00 0.00 N ATOM 0 H LYS A 51 15.605 -7.572 -2.726 1.00 0.00 H new ATOM 0 HA LYS A 51 13.542 -8.105 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.349 -9.613 -2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.889 -9.958 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.074 -11.289 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.968 -10.022 -0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.561 -11.692 -2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.692 -10.641 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.338 -12.242 -3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.075 -12.661 -1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.502 -14.503 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.114 -13.948 -2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.369 -13.542 -3.971 1.00 0.00 H new ATOM 797 N SER A 52 14.260 -7.256 1.255 1.00 0.00 N ATOM 798 CA SER A 52 14.609 -6.992 2.678 1.00 0.00 C ATOM 799 C SER A 52 13.347 -7.115 3.536 1.00 0.00 C ATOM 800 O SER A 52 12.476 -6.269 3.499 1.00 0.00 O ATOM 801 CB SER A 52 15.179 -5.579 2.811 1.00 0.00 C ATOM 802 OG SER A 52 16.553 -5.592 2.444 1.00 0.00 O ATOM 0 H SER A 52 13.386 -6.836 0.939 1.00 0.00 H new ATOM 0 HA SER A 52 15.353 -7.715 3.013 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.626 -4.890 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.067 -5.224 3.835 1.00 0.00 H new ATOM 0 HG SER A 52 16.744 -6.398 1.920 1.00 0.00 H new ATOM 808 N ALA A 53 13.239 -8.165 4.304 1.00 0.00 N ATOM 809 CA ALA A 53 12.029 -8.340 5.158 1.00 0.00 C ATOM 810 C ALA A 53 12.087 -7.369 6.342 1.00 0.00 C ATOM 811 O ALA A 53 11.195 -7.329 7.166 1.00 0.00 O ATOM 812 CB ALA A 53 11.980 -9.778 5.681 1.00 0.00 C ATOM 0 H ALA A 53 13.934 -8.908 4.377 1.00 0.00 H new ATOM 0 HA ALA A 53 11.137 -8.134 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.096 -9.908 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.935 -10.470 4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.874 -9.981 6.271 1.00 0.00 H new ATOM 818 N ASP A 54 13.130 -6.590 6.437 1.00 0.00 N ATOM 819 CA ASP A 54 13.242 -5.630 7.571 1.00 0.00 C ATOM 820 C ASP A 54 12.314 -4.435 7.336 1.00 0.00 C ATOM 821 O ASP A 54 11.504 -4.094 8.174 1.00 0.00 O ATOM 822 CB ASP A 54 14.687 -5.137 7.681 1.00 0.00 C ATOM 823 CG ASP A 54 15.545 -6.214 8.346 1.00 0.00 C ATOM 824 OD1 ASP A 54 15.165 -7.372 8.278 1.00 0.00 O ATOM 825 OD2 ASP A 54 16.567 -5.864 8.912 1.00 0.00 O ATOM 0 H ASP A 54 13.909 -6.577 5.779 1.00 0.00 H new ATOM 0 HA ASP A 54 12.954 -6.132 8.495 1.00 0.00 H new ATOM 0 HB2 ASP A 54 15.079 -4.905 6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.725 -4.216 8.263 1.00 0.00 H new ATOM 830 N LEU A 55 12.428 -3.792 6.206 1.00 0.00 N ATOM 831 CA LEU A 55 11.555 -2.617 5.928 1.00 0.00 C ATOM 832 C LEU A 55 10.091 -3.065 5.879 1.00 0.00 C ATOM 833 O LEU A 55 9.192 -2.313 6.198 1.00 0.00 O ATOM 834 CB LEU A 55 11.951 -1.993 4.587 1.00 0.00 C ATOM 835 CG LEU A 55 11.462 -2.880 3.442 1.00 0.00 C ATOM 836 CD1 LEU A 55 10.155 -2.316 2.884 1.00 0.00 C ATOM 837 CD2 LEU A 55 12.518 -2.908 2.334 1.00 0.00 C ATOM 0 H LEU A 55 13.087 -4.029 5.464 1.00 0.00 H new ATOM 0 HA LEU A 55 11.677 -1.878 6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.520 -0.996 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 55 13.034 -1.878 4.534 1.00 0.00 H new ATOM 0 HG LEU A 55 11.294 -3.892 3.811 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.805 -2.948 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.403 -2.293 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.324 -1.305 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.171 -3.540 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.685 -1.896 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.451 -3.308 2.731 1.00 0.00 H new ATOM 849 N ALA A 56 9.844 -4.283 5.482 1.00 0.00 N ATOM 850 CA ALA A 56 8.438 -4.774 5.414 1.00 0.00 C ATOM 851 C ALA A 56 7.911 -5.023 6.830 1.00 0.00 C ATOM 852 O ALA A 56 6.762 -4.765 7.128 1.00 0.00 O ATOM 853 CB ALA A 56 8.393 -6.078 4.616 1.00 0.00 C ATOM 0 H ALA A 56 10.554 -4.959 5.202 1.00 0.00 H new ATOM 0 HA ALA A 56 7.816 -4.025 4.924 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.366 -6.438 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.765 -5.900 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 56 9.016 -6.826 5.106 1.00 0.00 H new ATOM 859 N LYS A 57 8.739 -5.526 7.704 1.00 0.00 N ATOM 860 CA LYS A 57 8.281 -5.793 9.097 1.00 0.00 C ATOM 861 C LYS A 57 7.639 -4.532 9.680 1.00 0.00 C ATOM 862 O LYS A 57 6.751 -4.602 10.506 1.00 0.00 O ATOM 863 CB LYS A 57 9.479 -6.198 9.957 1.00 0.00 C ATOM 864 CG LYS A 57 9.668 -7.714 9.884 1.00 0.00 C ATOM 865 CD LYS A 57 10.931 -8.110 10.650 1.00 0.00 C ATOM 866 CE LYS A 57 10.611 -9.265 11.599 1.00 0.00 C ATOM 867 NZ LYS A 57 9.892 -10.336 10.853 1.00 0.00 N ATOM 0 H LYS A 57 9.713 -5.764 7.514 1.00 0.00 H new ATOM 0 HA LYS A 57 7.548 -6.600 9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.379 -5.691 9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.320 -5.890 10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.800 -8.220 10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.746 -8.031 8.844 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.715 -8.405 9.952 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.310 -7.257 11.213 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.531 -9.661 12.030 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.998 -8.910 12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.188 -11.267 11.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.867 -10.223 10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.119 -10.266 9.841 1.00 0.00 H new ATOM 881 N SER A 58 8.082 -3.380 9.259 1.00 0.00 N ATOM 882 CA SER A 58 7.496 -2.117 9.790 1.00 0.00 C ATOM 883 C SER A 58 6.797 -1.362 8.657 1.00 0.00 C ATOM 884 O SER A 58 6.851 -0.151 8.578 1.00 0.00 O ATOM 885 CB SER A 58 8.610 -1.245 10.372 1.00 0.00 C ATOM 886 OG SER A 58 9.116 -0.389 9.356 1.00 0.00 O ATOM 0 H SER A 58 8.824 -3.258 8.570 1.00 0.00 H new ATOM 0 HA SER A 58 6.772 -2.352 10.570 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.228 -0.654 11.204 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.409 -1.872 10.767 1.00 0.00 H new ATOM 0 HG SER A 58 8.445 0.291 9.138 1.00 0.00 H new ATOM 892 N LEU A 59 6.142 -2.070 7.778 1.00 0.00 N ATOM 893 CA LEU A 59 5.440 -1.397 6.647 1.00 0.00 C ATOM 894 C LEU A 59 4.052 -2.012 6.477 1.00 0.00 C ATOM 895 O LEU A 59 3.061 -1.319 6.365 1.00 0.00 O ATOM 896 CB LEU A 59 6.241 -1.603 5.360 1.00 0.00 C ATOM 897 CG LEU A 59 5.996 -0.441 4.401 1.00 0.00 C ATOM 898 CD1 LEU A 59 6.724 0.804 4.909 1.00 0.00 C ATOM 899 CD2 LEU A 59 6.531 -0.811 3.018 1.00 0.00 C ATOM 0 H LEU A 59 6.062 -3.087 7.794 1.00 0.00 H new ATOM 0 HA LEU A 59 5.348 -0.331 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.304 -1.677 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.952 -2.542 4.888 1.00 0.00 H new ATOM 0 HG LEU A 59 4.927 -0.236 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.548 1.633 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.350 1.066 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.793 0.602 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.359 0.015 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.600 -1.012 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.016 -1.700 2.655 1.00 0.00 H new ATOM 911 N SER A 60 3.980 -3.313 6.444 1.00 0.00 N ATOM 912 CA SER A 60 2.666 -3.989 6.265 1.00 0.00 C ATOM 913 C SER A 60 1.895 -4.009 7.587 1.00 0.00 C ATOM 914 O SER A 60 2.357 -4.534 8.580 1.00 0.00 O ATOM 915 CB SER A 60 2.912 -5.424 5.810 1.00 0.00 C ATOM 916 OG SER A 60 4.131 -5.890 6.375 1.00 0.00 O ATOM 0 H SER A 60 4.779 -3.940 6.534 1.00 0.00 H new ATOM 0 HA SER A 60 2.081 -3.448 5.522 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.085 -6.063 6.120 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.960 -5.470 4.722 1.00 0.00 H new ATOM 0 HG SER A 60 4.293 -6.813 6.087 1.00 0.00 H new ATOM 922 N HIS A 61 0.713 -3.450 7.600 1.00 0.00 N ATOM 923 CA HIS A 61 -0.098 -3.449 8.850 1.00 0.00 C ATOM 924 C HIS A 61 -0.981 -4.698 8.871 1.00 0.00 C ATOM 925 O HIS A 61 -1.242 -5.299 7.848 1.00 0.00 O ATOM 926 CB HIS A 61 -0.970 -2.184 8.903 1.00 0.00 C ATOM 927 CG HIS A 61 -2.163 -2.323 7.988 1.00 0.00 C ATOM 928 ND1 HIS A 61 -3.141 -3.295 8.183 1.00 0.00 N ATOM 929 CD2 HIS A 61 -2.555 -1.613 6.877 1.00 0.00 C ATOM 930 CE1 HIS A 61 -4.058 -3.140 7.207 1.00 0.00 C ATOM 931 NE2 HIS A 61 -3.747 -2.134 6.391 1.00 0.00 N ATOM 0 H HIS A 61 0.276 -2.995 6.799 1.00 0.00 H new ATOM 0 HA HIS A 61 0.561 -3.455 9.718 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.307 -2.010 9.925 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.379 -1.316 8.610 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -3.160 -3.994 8.926 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -2.019 -0.779 6.449 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.938 -3.757 7.100 1.00 0.00 H new ATOM 939 N LYS A 62 -1.444 -5.096 10.024 1.00 0.00 N ATOM 940 CA LYS A 62 -2.309 -6.308 10.095 1.00 0.00 C ATOM 941 C LYS A 62 -3.739 -5.899 10.445 1.00 0.00 C ATOM 942 O LYS A 62 -4.122 -4.754 10.309 1.00 0.00 O ATOM 943 CB LYS A 62 -1.783 -7.251 11.178 1.00 0.00 C ATOM 944 CG LYS A 62 -1.294 -8.549 10.532 1.00 0.00 C ATOM 945 CD LYS A 62 -0.970 -9.570 11.623 1.00 0.00 C ATOM 946 CE LYS A 62 0.086 -8.989 12.565 1.00 0.00 C ATOM 947 NZ LYS A 62 1.316 -8.664 11.788 1.00 0.00 N ATOM 0 H LYS A 62 -1.262 -4.637 10.917 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.296 -6.812 9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.969 -6.775 11.725 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.570 -7.466 11.901 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.058 -8.945 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.409 -8.355 9.926 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.872 -9.821 12.181 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.605 -10.494 11.175 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.298 -8.092 13.051 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.319 -9.704 13.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.118 -8.546 12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.521 -9.437 11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.169 -7.781 11.258 1.00 0.00 H new ATOM 961 N GLN A 63 -4.529 -6.830 10.902 1.00 0.00 N ATOM 962 CA GLN A 63 -5.931 -6.506 11.269 1.00 0.00 C ATOM 963 C GLN A 63 -6.718 -6.133 10.011 1.00 0.00 C ATOM 964 O GLN A 63 -6.542 -5.071 9.447 1.00 0.00 O ATOM 965 CB GLN A 63 -5.938 -5.332 12.247 1.00 0.00 C ATOM 966 CG GLN A 63 -6.688 -5.735 13.518 1.00 0.00 C ATOM 967 CD GLN A 63 -6.476 -4.671 14.596 1.00 0.00 C ATOM 968 OE1 GLN A 63 -6.236 -3.519 14.293 1.00 0.00 O ATOM 969 NE2 GLN A 63 -6.554 -5.012 15.853 1.00 0.00 N ATOM 0 H GLN A 63 -4.261 -7.805 11.037 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.396 -7.373 11.738 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.916 -5.041 12.491 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.415 -4.466 11.789 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.751 -5.846 13.306 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.331 -6.702 13.872 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.755 -5.979 16.108 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.414 -4.312 16.581 1.00 0.00 H new ATOM 978 N LEU A 64 -7.585 -7.001 9.566 1.00 0.00 N ATOM 979 CA LEU A 64 -8.384 -6.700 8.344 1.00 0.00 C ATOM 980 C LEU A 64 -9.106 -5.361 8.519 1.00 0.00 C ATOM 981 O LEU A 64 -9.558 -5.024 9.595 1.00 0.00 O ATOM 982 CB LEU A 64 -9.414 -7.810 8.126 1.00 0.00 C ATOM 983 CG LEU A 64 -8.802 -8.915 7.262 1.00 0.00 C ATOM 984 CD1 LEU A 64 -8.326 -10.059 8.158 1.00 0.00 C ATOM 985 CD2 LEU A 64 -9.855 -9.440 6.284 1.00 0.00 C ATOM 0 H LEU A 64 -7.775 -7.906 9.996 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.720 -6.642 7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.732 -8.218 9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.303 -7.405 7.641 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.956 -8.513 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.890 -10.846 7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.576 -9.687 8.856 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.172 -10.461 8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.419 -10.227 5.668 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.701 -9.842 6.841 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.196 -8.626 5.644 1.00 0.00 H new ATOM 997 N LEU A 65 -9.218 -4.597 7.465 1.00 0.00 N ATOM 998 CA LEU A 65 -9.911 -3.280 7.565 1.00 0.00 C ATOM 999 C LEU A 65 -11.406 -3.477 7.295 1.00 0.00 C ATOM 1000 O LEU A 65 -11.866 -3.352 6.176 1.00 0.00 O ATOM 1001 CB LEU A 65 -9.331 -2.309 6.528 1.00 0.00 C ATOM 1002 CG LEU A 65 -7.809 -2.467 6.449 1.00 0.00 C ATOM 1003 CD1 LEU A 65 -7.341 -2.183 5.021 1.00 0.00 C ATOM 1004 CD2 LEU A 65 -7.141 -1.476 7.404 1.00 0.00 C ATOM 0 H LEU A 65 -8.859 -4.828 6.539 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.766 -2.868 8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.775 -2.501 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.584 -1.284 6.798 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.537 -3.485 6.729 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.258 -2.295 4.964 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.815 -2.886 4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.615 -1.165 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.058 -1.589 7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.415 -0.459 7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.473 -1.673 8.423 1.00 0.00 H new ATOM 1016 N MET A 66 -12.170 -3.790 8.308 1.00 0.00 N ATOM 1017 CA MET A 66 -13.632 -4.002 8.103 1.00 0.00 C ATOM 1018 C MET A 66 -14.368 -2.663 8.170 1.00 0.00 C ATOM 1019 O MET A 66 -15.440 -2.505 7.622 1.00 0.00 O ATOM 1020 CB MET A 66 -14.170 -4.930 9.193 1.00 0.00 C ATOM 1021 CG MET A 66 -14.115 -4.224 10.550 1.00 0.00 C ATOM 1022 SD MET A 66 -15.766 -4.219 11.296 1.00 0.00 S ATOM 1023 CE MET A 66 -16.380 -2.720 10.488 1.00 0.00 C ATOM 0 H MET A 66 -11.845 -3.908 9.268 1.00 0.00 H new ATOM 0 HA MET A 66 -13.793 -4.452 7.123 1.00 0.00 H new ATOM 0 HB2 MET A 66 -15.196 -5.218 8.964 1.00 0.00 H new ATOM 0 HB3 MET A 66 -13.581 -5.847 9.226 1.00 0.00 H new ATOM 0 HG2 MET A 66 -13.409 -4.731 11.207 1.00 0.00 H new ATOM 0 HG3 MET A 66 -13.757 -3.202 10.426 1.00 0.00 H new ATOM 0 HE1 MET A 66 -17.309 -2.405 10.963 1.00 0.00 H new ATOM 0 HE2 MET A 66 -15.638 -1.927 10.581 1.00 0.00 H new ATOM 0 HE3 MET A 66 -16.563 -2.924 9.433 1.00 0.00 H new ATOM 1033 N SER A 67 -13.804 -1.702 8.840 1.00 0.00 N ATOM 1034 CA SER A 67 -14.476 -0.376 8.944 1.00 0.00 C ATOM 1035 C SER A 67 -14.229 0.422 7.661 1.00 0.00 C ATOM 1036 O SER A 67 -13.190 0.293 7.043 1.00 0.00 O ATOM 1037 CB SER A 67 -13.911 0.393 10.139 1.00 0.00 C ATOM 1038 OG SER A 67 -14.062 1.788 9.913 1.00 0.00 O ATOM 0 H SER A 67 -12.907 -1.774 9.321 1.00 0.00 H new ATOM 0 HA SER A 67 -15.547 -0.523 9.082 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.431 0.102 11.052 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.858 0.147 10.280 1.00 0.00 H new ATOM 0 HG SER A 67 -14.010 2.265 10.767 1.00 0.00 H new ATOM 1044 N PRO A 68 -15.195 1.229 7.302 1.00 0.00 N ATOM 1045 CA PRO A 68 -15.118 2.070 6.097 1.00 0.00 C ATOM 1046 C PRO A 68 -14.236 3.291 6.362 1.00 0.00 C ATOM 1047 O PRO A 68 -14.662 4.258 6.963 1.00 0.00 O ATOM 1048 CB PRO A 68 -16.571 2.486 5.854 1.00 0.00 C ATOM 1049 CG PRO A 68 -17.299 2.342 7.212 1.00 0.00 C ATOM 1050 CD PRO A 68 -16.452 1.377 8.065 1.00 0.00 C ATOM 0 HA PRO A 68 -14.681 1.557 5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.626 3.512 5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.034 1.854 5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -17.397 3.310 7.704 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -18.307 1.952 7.072 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -16.269 1.781 9.060 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -16.953 0.418 8.198 1.00 0.00 H new ATOM 1058 N GLY A 69 -13.007 3.256 5.923 1.00 0.00 N ATOM 1059 CA GLY A 69 -12.108 4.419 6.158 1.00 0.00 C ATOM 1060 C GLY A 69 -11.051 4.047 7.199 1.00 0.00 C ATOM 1061 O GLY A 69 -9.971 4.601 7.223 1.00 0.00 O ATOM 0 H GLY A 69 -12.589 2.476 5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.627 4.714 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.687 5.276 6.503 1.00 0.00 H new ATOM 1065 N GLN A 70 -11.348 3.107 8.058 1.00 0.00 N ATOM 1066 CA GLN A 70 -10.349 2.701 9.086 1.00 0.00 C ATOM 1067 C GLN A 70 -9.123 2.134 8.374 1.00 0.00 C ATOM 1068 O GLN A 70 -9.180 1.082 7.770 1.00 0.00 O ATOM 1069 CB GLN A 70 -10.951 1.633 10.002 1.00 0.00 C ATOM 1070 CG GLN A 70 -10.110 1.523 11.274 1.00 0.00 C ATOM 1071 CD GLN A 70 -10.708 0.456 12.193 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -11.395 -0.437 11.739 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -10.473 0.509 13.476 1.00 0.00 N ATOM 0 H GLN A 70 -12.236 2.606 8.091 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.066 3.563 9.690 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.979 1.892 10.254 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.981 0.672 9.488 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.082 1.265 11.021 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.080 2.484 11.787 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.896 1.258 13.858 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.866 -0.199 14.096 1.00 0.00 H new ATOM 1082 N SER A 71 -8.020 2.827 8.418 1.00 0.00 N ATOM 1083 CA SER A 71 -6.810 2.321 7.714 1.00 0.00 C ATOM 1084 C SER A 71 -5.582 2.399 8.616 1.00 0.00 C ATOM 1085 O SER A 71 -5.674 2.392 9.828 1.00 0.00 O ATOM 1086 CB SER A 71 -6.557 3.178 6.480 1.00 0.00 C ATOM 1087 OG SER A 71 -5.851 4.351 6.862 1.00 0.00 O ATOM 0 H SER A 71 -7.904 3.715 8.907 1.00 0.00 H new ATOM 0 HA SER A 71 -6.982 1.281 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.982 2.616 5.744 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.503 3.446 6.008 1.00 0.00 H new ATOM 0 HG SER A 71 -5.072 4.468 6.279 1.00 0.00 H new ATOM 1093 N THR A 72 -4.429 2.477 8.011 1.00 0.00 N ATOM 1094 CA THR A 72 -3.166 2.560 8.787 1.00 0.00 C ATOM 1095 C THR A 72 -2.128 3.312 7.951 1.00 0.00 C ATOM 1096 O THR A 72 -1.733 2.867 6.892 1.00 0.00 O ATOM 1097 CB THR A 72 -2.660 1.145 9.083 1.00 0.00 C ATOM 1098 OG1 THR A 72 -3.448 0.571 10.115 1.00 0.00 O ATOM 1099 CG2 THR A 72 -1.196 1.201 9.523 1.00 0.00 C ATOM 0 H THR A 72 -4.310 2.487 6.998 1.00 0.00 H new ATOM 0 HA THR A 72 -3.336 3.084 9.727 1.00 0.00 H new ATOM 0 HB THR A 72 -2.738 0.535 8.183 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.223 1.144 10.292 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.840 0.192 9.733 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.594 1.640 8.728 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.110 1.810 10.423 1.00 0.00 H new ATOM 1107 N SER A 73 -1.683 4.446 8.414 1.00 0.00 N ATOM 1108 CA SER A 73 -0.673 5.214 7.635 1.00 0.00 C ATOM 1109 C SER A 73 0.702 4.592 7.857 1.00 0.00 C ATOM 1110 O SER A 73 1.311 4.756 8.896 1.00 0.00 O ATOM 1111 CB SER A 73 -0.663 6.668 8.108 1.00 0.00 C ATOM 1112 OG SER A 73 0.483 7.325 7.583 1.00 0.00 O ATOM 0 H SER A 73 -1.973 4.873 9.294 1.00 0.00 H new ATOM 0 HA SER A 73 -0.922 5.184 6.574 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.570 7.176 7.779 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.652 6.708 9.197 1.00 0.00 H new ATOM 0 HG SER A 73 0.227 8.209 7.245 1.00 0.00 H new ATOM 1118 N THR A 74 1.191 3.867 6.890 1.00 0.00 N ATOM 1119 CA THR A 74 2.521 3.220 7.044 1.00 0.00 C ATOM 1120 C THR A 74 3.626 4.270 6.946 1.00 0.00 C ATOM 1121 O THR A 74 3.905 4.795 5.886 1.00 0.00 O ATOM 1122 CB THR A 74 2.718 2.180 5.939 1.00 0.00 C ATOM 1123 OG1 THR A 74 1.669 1.224 5.993 1.00 0.00 O ATOM 1124 CG2 THR A 74 4.062 1.481 6.142 1.00 0.00 C ATOM 0 H THR A 74 0.725 3.695 5.999 1.00 0.00 H new ATOM 0 HA THR A 74 2.567 2.735 8.019 1.00 0.00 H new ATOM 0 HB THR A 74 2.705 2.671 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.048 0.329 6.116 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.208 0.739 5.357 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.865 2.217 6.099 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.073 0.988 7.114 1.00 0.00 H new ATOM 1132 N THR A 75 4.270 4.567 8.039 1.00 0.00 N ATOM 1133 CA THR A 75 5.369 5.566 8.000 1.00 0.00 C ATOM 1134 C THR A 75 6.624 4.886 7.457 1.00 0.00 C ATOM 1135 O THR A 75 7.495 4.481 8.202 1.00 0.00 O ATOM 1136 CB THR A 75 5.640 6.092 9.411 1.00 0.00 C ATOM 1137 OG1 THR A 75 6.795 6.918 9.391 1.00 0.00 O ATOM 1138 CG2 THR A 75 5.868 4.917 10.363 1.00 0.00 C ATOM 0 H THR A 75 4.082 4.161 8.956 1.00 0.00 H new ATOM 0 HA THR A 75 5.089 6.402 7.359 1.00 0.00 H new ATOM 0 HB THR A 75 4.783 6.671 9.754 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.970 7.258 10.293 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.061 5.294 11.367 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.981 4.283 10.378 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.725 4.335 10.024 1.00 0.00 H new ATOM 1146 N PHE A 76 6.708 4.749 6.160 1.00 0.00 N ATOM 1147 CA PHE A 76 7.891 4.089 5.534 1.00 0.00 C ATOM 1148 C PHE A 76 9.165 4.443 6.309 1.00 0.00 C ATOM 1149 O PHE A 76 9.245 5.487 6.926 1.00 0.00 O ATOM 1150 CB PHE A 76 8.015 4.576 4.093 1.00 0.00 C ATOM 1151 CG PHE A 76 7.235 3.663 3.178 1.00 0.00 C ATOM 1152 CD1 PHE A 76 5.836 3.736 3.141 1.00 0.00 C ATOM 1153 CD2 PHE A 76 7.909 2.745 2.362 1.00 0.00 C ATOM 1154 CE1 PHE A 76 5.114 2.892 2.290 1.00 0.00 C ATOM 1155 CE2 PHE A 76 7.184 1.902 1.511 1.00 0.00 C ATOM 1156 CZ PHE A 76 5.787 1.977 1.476 1.00 0.00 C ATOM 0 H PHE A 76 5.999 5.070 5.501 1.00 0.00 H new ATOM 0 HA PHE A 76 7.760 3.007 5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.640 5.596 4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.063 4.596 3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.315 4.444 3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.987 2.688 2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.036 2.948 2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.703 1.194 0.882 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.228 1.327 0.819 1.00 0.00 H new ATOM 1166 N PRO A 77 10.121 3.550 6.260 1.00 0.00 N ATOM 1167 CA PRO A 77 11.410 3.721 6.955 1.00 0.00 C ATOM 1168 C PRO A 77 12.329 4.666 6.181 1.00 0.00 C ATOM 1169 O PRO A 77 12.057 5.033 5.055 1.00 0.00 O ATOM 1170 CB PRO A 77 11.998 2.309 6.968 1.00 0.00 C ATOM 1171 CG PRO A 77 11.315 1.540 5.813 1.00 0.00 C ATOM 1172 CD PRO A 77 10.005 2.287 5.502 1.00 0.00 C ATOM 0 HA PRO A 77 11.296 4.153 7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.079 2.337 6.830 1.00 0.00 H new ATOM 0 HB3 PRO A 77 11.812 1.820 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 77 11.960 1.507 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.114 0.508 6.100 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.896 2.472 4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.134 1.712 5.816 1.00 0.00 H new ATOM 1180 N ALA A 78 13.428 5.045 6.774 1.00 0.00 N ATOM 1181 CA ALA A 78 14.381 5.945 6.070 1.00 0.00 C ATOM 1182 C ALA A 78 15.329 5.091 5.224 1.00 0.00 C ATOM 1183 O ALA A 78 16.306 5.574 4.687 1.00 0.00 O ATOM 1184 CB ALA A 78 15.189 6.742 7.097 1.00 0.00 C ATOM 0 H ALA A 78 13.706 4.769 7.716 1.00 0.00 H new ATOM 0 HA ALA A 78 13.834 6.638 5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 78 15.886 7.401 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.512 7.339 7.709 1.00 0.00 H new ATOM 0 HB3 ALA A 78 15.744 6.055 7.735 1.00 0.00 H new ATOM 1190 N ASP A 79 15.043 3.820 5.105 1.00 0.00 N ATOM 1191 CA ASP A 79 15.919 2.926 4.299 1.00 0.00 C ATOM 1192 C ASP A 79 15.276 2.678 2.933 1.00 0.00 C ATOM 1193 O ASP A 79 15.884 2.104 2.051 1.00 0.00 O ATOM 1194 CB ASP A 79 16.092 1.593 5.029 1.00 0.00 C ATOM 1195 CG ASP A 79 17.455 1.560 5.723 1.00 0.00 C ATOM 1196 OD1 ASP A 79 18.425 1.957 5.098 1.00 0.00 O ATOM 1197 OD2 ASP A 79 17.505 1.140 6.867 1.00 0.00 O ATOM 0 H ASP A 79 14.238 3.364 5.534 1.00 0.00 H new ATOM 0 HA ASP A 79 16.893 3.397 4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.296 1.463 5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.013 0.767 4.322 1.00 0.00 H new ATOM 1202 N ALA A 80 14.050 3.105 2.755 1.00 0.00 N ATOM 1203 CA ALA A 80 13.358 2.900 1.445 1.00 0.00 C ATOM 1204 C ALA A 80 14.359 3.093 0.296 1.00 0.00 C ATOM 1205 O ALA A 80 14.738 4.206 -0.008 1.00 0.00 O ATOM 1206 CB ALA A 80 12.230 3.924 1.304 1.00 0.00 C ATOM 0 H ALA A 80 13.497 3.588 3.463 1.00 0.00 H new ATOM 0 HA ALA A 80 12.949 1.890 1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 80 11.723 3.778 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.517 3.794 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 80 12.646 4.931 1.343 1.00 0.00 H new ATOM 1212 N PRO A 81 14.766 1.999 -0.303 1.00 0.00 N ATOM 1213 CA PRO A 81 15.733 2.018 -1.416 1.00 0.00 C ATOM 1214 C PRO A 81 15.052 2.446 -2.719 1.00 0.00 C ATOM 1215 O PRO A 81 13.896 2.155 -2.953 1.00 0.00 O ATOM 1216 CB PRO A 81 16.214 0.567 -1.499 1.00 0.00 C ATOM 1217 CG PRO A 81 15.114 -0.297 -0.838 1.00 0.00 C ATOM 1218 CD PRO A 81 14.299 0.647 0.067 1.00 0.00 C ATOM 0 HA PRO A 81 16.548 2.724 -1.260 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.371 0.269 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.167 0.444 -0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.476 -0.757 -1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.554 -1.107 -0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.228 0.535 -0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.477 0.439 1.122 1.00 0.00 H new ATOM 1226 N ALA A 82 15.763 3.136 -3.569 1.00 0.00 N ATOM 1227 CA ALA A 82 15.161 3.584 -4.856 1.00 0.00 C ATOM 1228 C ALA A 82 14.632 2.371 -5.622 1.00 0.00 C ATOM 1229 O ALA A 82 15.310 1.373 -5.772 1.00 0.00 O ATOM 1230 CB ALA A 82 16.223 4.293 -5.699 1.00 0.00 C ATOM 0 H ALA A 82 16.736 3.409 -3.427 1.00 0.00 H new ATOM 0 HA ALA A 82 14.341 4.272 -4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 82 15.782 4.620 -6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.601 5.159 -5.155 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.044 3.606 -5.903 1.00 0.00 H new ATOM 1236 N GLY A 83 13.426 2.448 -6.109 1.00 0.00 N ATOM 1237 CA GLY A 83 12.852 1.300 -6.864 1.00 0.00 C ATOM 1238 C GLY A 83 11.350 1.222 -6.597 1.00 0.00 C ATOM 1239 O GLY A 83 10.850 1.787 -5.645 1.00 0.00 O ATOM 0 H GLY A 83 12.812 3.257 -6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.038 1.422 -7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.336 0.372 -6.561 1.00 0.00 H new ATOM 1243 N GLU A 84 10.625 0.530 -7.428 1.00 0.00 N ATOM 1244 CA GLU A 84 9.157 0.424 -7.215 1.00 0.00 C ATOM 1245 C GLU A 84 8.862 -0.718 -6.242 1.00 0.00 C ATOM 1246 O GLU A 84 9.360 -1.817 -6.387 1.00 0.00 O ATOM 1247 CB GLU A 84 8.463 0.146 -8.551 1.00 0.00 C ATOM 1248 CG GLU A 84 9.174 0.915 -9.666 1.00 0.00 C ATOM 1249 CD GLU A 84 8.198 1.170 -10.816 1.00 0.00 C ATOM 1250 OE1 GLU A 84 7.984 0.258 -11.598 1.00 0.00 O ATOM 1251 OE2 GLU A 84 7.683 2.273 -10.897 1.00 0.00 O ATOM 0 H GLU A 84 10.984 0.034 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 84 8.785 1.361 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.478 -0.923 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.416 0.446 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.556 1.861 -9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.033 0.346 -10.023 1.00 0.00 H new ATOM 1258 N TYR A 85 8.045 -0.469 -5.256 1.00 0.00 N ATOM 1259 CA TYR A 85 7.704 -1.540 -4.281 1.00 0.00 C ATOM 1260 C TYR A 85 6.561 -2.372 -4.859 1.00 0.00 C ATOM 1261 O TYR A 85 6.370 -2.416 -6.058 1.00 0.00 O ATOM 1262 CB TYR A 85 7.282 -0.905 -2.954 1.00 0.00 C ATOM 1263 CG TYR A 85 8.456 -0.156 -2.367 1.00 0.00 C ATOM 1264 CD1 TYR A 85 8.884 1.046 -2.948 1.00 0.00 C ATOM 1265 CD2 TYR A 85 9.122 -0.666 -1.247 1.00 0.00 C ATOM 1266 CE1 TYR A 85 9.976 1.735 -2.407 1.00 0.00 C ATOM 1267 CE2 TYR A 85 10.214 0.025 -0.705 1.00 0.00 C ATOM 1268 CZ TYR A 85 10.641 1.225 -1.285 1.00 0.00 C ATOM 1269 OH TYR A 85 11.718 1.904 -0.752 1.00 0.00 O ATOM 0 H TYR A 85 7.599 0.432 -5.084 1.00 0.00 H new ATOM 0 HA TYR A 85 8.567 -2.181 -4.100 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.444 -0.226 -3.112 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.942 -1.674 -2.261 1.00 0.00 H new ATOM 0 HD1 TYR A 85 8.371 1.440 -3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.794 -1.593 -0.800 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.306 2.661 -2.855 1.00 0.00 H new ATOM 0 HE2 TYR A 85 10.726 -0.369 0.161 1.00 0.00 H new ATOM 0 HH TYR A 85 12.411 2.007 -1.437 1.00 0.00 H new ATOM 1279 N THR A 86 5.795 -3.034 -4.039 1.00 0.00 N ATOM 1280 CA THR A 86 4.681 -3.849 -4.593 1.00 0.00 C ATOM 1281 C THR A 86 3.682 -4.211 -3.493 1.00 0.00 C ATOM 1282 O THR A 86 3.759 -5.264 -2.893 1.00 0.00 O ATOM 1283 CB THR A 86 5.248 -5.131 -5.207 1.00 0.00 C ATOM 1284 OG1 THR A 86 6.574 -4.890 -5.658 1.00 0.00 O ATOM 1285 CG2 THR A 86 4.376 -5.563 -6.387 1.00 0.00 C ATOM 0 H THR A 86 5.890 -3.047 -3.023 1.00 0.00 H new ATOM 0 HA THR A 86 4.165 -3.267 -5.357 1.00 0.00 H new ATOM 0 HB THR A 86 5.256 -5.922 -4.457 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.178 -5.555 -5.267 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.781 -6.476 -6.823 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.359 -5.746 -6.040 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.366 -4.775 -7.140 1.00 0.00 H new ATOM 1293 N PHE A 87 2.726 -3.358 -3.243 1.00 0.00 N ATOM 1294 CA PHE A 87 1.708 -3.673 -2.207 1.00 0.00 C ATOM 1295 C PHE A 87 0.452 -4.180 -2.912 1.00 0.00 C ATOM 1296 O PHE A 87 0.271 -3.966 -4.093 1.00 0.00 O ATOM 1297 CB PHE A 87 1.371 -2.432 -1.380 1.00 0.00 C ATOM 1298 CG PHE A 87 1.529 -1.207 -2.232 1.00 0.00 C ATOM 1299 CD1 PHE A 87 0.501 -0.824 -3.094 1.00 0.00 C ATOM 1300 CD2 PHE A 87 2.709 -0.464 -2.167 1.00 0.00 C ATOM 1301 CE1 PHE A 87 0.649 0.309 -3.894 1.00 0.00 C ATOM 1302 CE2 PHE A 87 2.862 0.669 -2.965 1.00 0.00 C ATOM 1303 CZ PHE A 87 1.832 1.060 -3.832 1.00 0.00 C ATOM 0 H PHE A 87 2.608 -2.460 -3.711 1.00 0.00 H new ATOM 0 HA PHE A 87 2.101 -4.431 -1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.350 -2.498 -1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.027 -2.371 -0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.409 -1.404 -3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.502 -0.766 -1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.147 0.608 -4.561 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.774 1.245 -2.915 1.00 0.00 H new ATOM 0 HZ PHE A 87 1.949 1.937 -4.451 1.00 0.00 H new ATOM 1313 N TYR A 88 -0.413 -4.858 -2.215 1.00 0.00 N ATOM 1314 CA TYR A 88 -1.636 -5.373 -2.882 1.00 0.00 C ATOM 1315 C TYR A 88 -2.722 -5.667 -1.849 1.00 0.00 C ATOM 1316 O TYR A 88 -2.671 -5.206 -0.726 1.00 0.00 O ATOM 1317 CB TYR A 88 -1.291 -6.656 -3.636 1.00 0.00 C ATOM 1318 CG TYR A 88 -0.773 -7.675 -2.655 1.00 0.00 C ATOM 1319 CD1 TYR A 88 0.479 -7.492 -2.059 1.00 0.00 C ATOM 1320 CD2 TYR A 88 -1.544 -8.798 -2.337 1.00 0.00 C ATOM 1321 CE1 TYR A 88 0.962 -8.432 -1.143 1.00 0.00 C ATOM 1322 CE2 TYR A 88 -1.062 -9.739 -1.420 1.00 0.00 C ATOM 1323 CZ TYR A 88 0.192 -9.557 -0.824 1.00 0.00 C ATOM 1324 OH TYR A 88 0.669 -10.484 0.080 1.00 0.00 O ATOM 0 H TYR A 88 -0.328 -5.076 -1.222 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.008 -4.620 -3.576 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.173 -7.041 -4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.541 -6.454 -4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.073 -6.625 -2.306 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.510 -8.939 -2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.928 -8.290 -0.682 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.657 -10.605 -1.172 1.00 0.00 H new ATOM 0 HH TYR A 88 0.011 -11.202 0.190 1.00 0.00 H new ATOM 1334 N CYS A 89 -3.710 -6.428 -2.229 1.00 0.00 N ATOM 1335 CA CYS A 89 -4.810 -6.753 -1.284 1.00 0.00 C ATOM 1336 C CYS A 89 -4.943 -8.270 -1.147 1.00 0.00 C ATOM 1337 O CYS A 89 -4.952 -8.995 -2.122 1.00 0.00 O ATOM 1338 CB CYS A 89 -6.118 -6.181 -1.826 1.00 0.00 C ATOM 1339 SG CYS A 89 -7.040 -5.403 -0.483 1.00 0.00 S ATOM 0 H CYS A 89 -3.802 -6.840 -3.158 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.590 -6.321 -0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.911 -5.452 -2.609 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.714 -6.974 -2.278 1.00 0.00 H new ATOM 1344 N GLU A 90 -5.054 -8.753 0.057 1.00 0.00 N ATOM 1345 CA GLU A 90 -5.194 -10.219 0.264 1.00 0.00 C ATOM 1346 C GLU A 90 -6.607 -10.691 -0.128 1.00 0.00 C ATOM 1347 O GLU A 90 -6.746 -11.721 -0.757 1.00 0.00 O ATOM 1348 CB GLU A 90 -4.926 -10.558 1.733 1.00 0.00 C ATOM 1349 CG GLU A 90 -5.334 -12.007 2.003 1.00 0.00 C ATOM 1350 CD GLU A 90 -6.602 -12.029 2.858 1.00 0.00 C ATOM 1351 OE1 GLU A 90 -6.778 -11.114 3.644 1.00 0.00 O ATOM 1352 OE2 GLU A 90 -7.376 -12.961 2.710 1.00 0.00 O ATOM 0 H GLU A 90 -5.054 -8.193 0.910 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.469 -10.731 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.870 -10.417 1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.486 -9.884 2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.508 -12.528 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.528 -12.534 2.515 1.00 0.00 H new ATOM 1359 N PRO A 91 -7.620 -9.942 0.257 1.00 0.00 N ATOM 1360 CA PRO A 91 -9.016 -10.301 -0.052 1.00 0.00 C ATOM 1361 C PRO A 91 -9.356 -9.964 -1.508 1.00 0.00 C ATOM 1362 O PRO A 91 -9.802 -10.809 -2.259 1.00 0.00 O ATOM 1363 CB PRO A 91 -9.834 -9.447 0.919 1.00 0.00 C ATOM 1364 CG PRO A 91 -8.932 -8.259 1.324 1.00 0.00 C ATOM 1365 CD PRO A 91 -7.482 -8.683 1.023 1.00 0.00 C ATOM 0 HA PRO A 91 -9.215 -11.367 0.058 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.752 -9.095 0.448 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.128 -10.027 1.794 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.198 -7.363 0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.055 -8.022 2.381 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.957 -7.922 0.446 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.914 -8.836 1.941 1.00 0.00 H new ATOM 1373 N HIS A 92 -9.154 -8.741 -1.915 1.00 0.00 N ATOM 1374 CA HIS A 92 -9.474 -8.370 -3.324 1.00 0.00 C ATOM 1375 C HIS A 92 -8.283 -8.704 -4.224 1.00 0.00 C ATOM 1376 O HIS A 92 -7.715 -7.841 -4.862 1.00 0.00 O ATOM 1377 CB HIS A 92 -9.773 -6.872 -3.414 1.00 0.00 C ATOM 1378 CG HIS A 92 -10.799 -6.497 -2.380 1.00 0.00 C ATOM 1379 ND1 HIS A 92 -10.438 -6.022 -1.124 1.00 0.00 N ATOM 1380 CD2 HIS A 92 -12.173 -6.520 -2.397 1.00 0.00 C ATOM 1381 CE1 HIS A 92 -11.582 -5.786 -0.450 1.00 0.00 C ATOM 1382 NE2 HIS A 92 -12.653 -6.075 -1.181 1.00 0.00 N ATOM 0 H HIS A 92 -8.784 -7.986 -1.338 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.349 -8.932 -3.650 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.859 -6.299 -3.258 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -10.139 -6.624 -4.410 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.782 -6.837 -3.231 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -11.623 -5.408 0.561 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -13.630 -5.986 -0.901 1.00 0.00 H new ATOM 1390 N ARG A 93 -7.902 -9.951 -4.283 1.00 0.00 N ATOM 1391 CA ARG A 93 -6.750 -10.337 -5.147 1.00 0.00 C ATOM 1392 C ARG A 93 -7.221 -10.461 -6.598 1.00 0.00 C ATOM 1393 O ARG A 93 -6.438 -10.694 -7.497 1.00 0.00 O ATOM 1394 CB ARG A 93 -6.186 -11.680 -4.679 1.00 0.00 C ATOM 1395 CG ARG A 93 -4.800 -11.893 -5.293 1.00 0.00 C ATOM 1396 CD ARG A 93 -3.758 -12.005 -4.179 1.00 0.00 C ATOM 1397 NE ARG A 93 -2.740 -10.930 -4.342 1.00 0.00 N ATOM 1398 CZ ARG A 93 -1.469 -11.229 -4.353 1.00 0.00 C ATOM 1399 NH1 ARG A 93 -1.000 -12.114 -3.516 1.00 0.00 N ATOM 1400 NH2 ARG A 93 -0.668 -10.646 -5.202 1.00 0.00 N ATOM 0 H ARG A 93 -8.338 -10.718 -3.771 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.974 -9.574 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.121 -11.700 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.854 -12.489 -4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -4.796 -12.797 -5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.552 -11.063 -5.954 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -4.240 -11.919 -3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.278 -12.983 -4.212 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.036 -9.959 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.626 -12.572 -2.854 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -0.007 -12.348 -3.524 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.035 -9.956 -5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.325 -10.880 -5.210 1.00 0.00 H new ATOM 1414 N GLY A 94 -8.496 -10.309 -6.833 1.00 0.00 N ATOM 1415 CA GLY A 94 -9.015 -10.420 -8.225 1.00 0.00 C ATOM 1416 C GLY A 94 -9.590 -9.072 -8.667 1.00 0.00 C ATOM 1417 O GLY A 94 -10.297 -8.981 -9.651 1.00 0.00 O ATOM 0 H GLY A 94 -9.200 -10.113 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.214 -10.724 -8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.785 -11.190 -8.277 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.290 -8.024 -7.949 1.00 0.00 N ATOM 1422 CA ALA A 95 -9.817 -6.684 -8.332 1.00 0.00 C ATOM 1423 C ALA A 95 -8.648 -5.736 -8.596 1.00 0.00 C ATOM 1424 O ALA A 95 -8.725 -4.550 -8.347 1.00 0.00 O ATOM 1425 CB ALA A 95 -10.683 -6.129 -7.199 1.00 0.00 C ATOM 0 H ALA A 95 -8.703 -8.038 -7.115 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.422 -6.776 -9.234 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.067 -5.149 -7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.517 -6.806 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.083 -6.036 -6.294 1.00 0.00 H new ATOM 1431 N GLY A 96 -7.566 -6.257 -9.103 1.00 0.00 N ATOM 1432 CA GLY A 96 -6.381 -5.399 -9.393 1.00 0.00 C ATOM 1433 C GLY A 96 -6.165 -4.403 -8.250 1.00 0.00 C ATOM 1434 O GLY A 96 -6.208 -3.205 -8.444 1.00 0.00 O ATOM 0 H GLY A 96 -7.450 -7.245 -9.330 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.494 -6.020 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -6.530 -4.863 -10.330 1.00 0.00 H new ATOM 1438 N MET A 97 -5.932 -4.887 -7.060 1.00 0.00 N ATOM 1439 CA MET A 97 -5.711 -3.963 -5.911 1.00 0.00 C ATOM 1440 C MET A 97 -4.231 -3.982 -5.520 1.00 0.00 C ATOM 1441 O MET A 97 -3.886 -4.214 -4.379 1.00 0.00 O ATOM 1442 CB MET A 97 -6.560 -4.415 -4.718 1.00 0.00 C ATOM 1443 CG MET A 97 -8.042 -4.373 -5.098 1.00 0.00 C ATOM 1444 SD MET A 97 -9.008 -3.710 -3.716 1.00 0.00 S ATOM 1445 CE MET A 97 -8.685 -1.955 -4.016 1.00 0.00 C ATOM 0 H MET A 97 -5.885 -5.881 -6.834 1.00 0.00 H new ATOM 0 HA MET A 97 -5.999 -2.952 -6.198 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.279 -5.425 -4.421 1.00 0.00 H new ATOM 0 HB3 MET A 97 -6.375 -3.767 -3.861 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.183 -3.753 -5.983 1.00 0.00 H new ATOM 0 HG3 MET A 97 -8.391 -5.374 -5.351 1.00 0.00 H new ATOM 0 HE1 MET A 97 -9.618 -1.396 -3.945 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.981 -1.582 -3.272 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.261 -1.828 -5.012 1.00 0.00 H new ATOM 1455 N VAL A 98 -3.352 -3.741 -6.457 1.00 0.00 N ATOM 1456 CA VAL A 98 -1.897 -3.748 -6.132 1.00 0.00 C ATOM 1457 C VAL A 98 -1.199 -2.599 -6.865 1.00 0.00 C ATOM 1458 O VAL A 98 -1.533 -2.266 -7.984 1.00 0.00 O ATOM 1459 CB VAL A 98 -1.284 -5.090 -6.557 1.00 0.00 C ATOM 1460 CG1 VAL A 98 -1.839 -5.498 -7.923 1.00 0.00 C ATOM 1461 CG2 VAL A 98 0.241 -4.962 -6.648 1.00 0.00 C ATOM 0 H VAL A 98 -3.579 -3.540 -7.431 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.764 -3.617 -5.058 1.00 0.00 H new ATOM 0 HB VAL A 98 -1.539 -5.848 -5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -1.403 -6.451 -8.223 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.923 -5.599 -7.860 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.588 -4.736 -8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.669 -5.918 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.499 -4.200 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.641 -4.677 -5.675 1.00 0.00 H new ATOM 1471 N GLY A 99 -0.226 -1.996 -6.237 1.00 0.00 N ATOM 1472 CA GLY A 99 0.505 -0.875 -6.884 1.00 0.00 C ATOM 1473 C GLY A 99 1.938 -0.830 -6.349 1.00 0.00 C ATOM 1474 O GLY A 99 2.307 -1.589 -5.474 1.00 0.00 O ATOM 0 H GLY A 99 0.094 -2.235 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.513 -1.007 -7.966 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -0.001 0.069 -6.682 1.00 0.00 H new ATOM 1478 N LYS A 100 2.751 0.049 -6.868 1.00 0.00 N ATOM 1479 CA LYS A 100 4.159 0.133 -6.387 1.00 0.00 C ATOM 1480 C LYS A 100 4.483 1.574 -5.988 1.00 0.00 C ATOM 1481 O LYS A 100 4.059 2.516 -6.628 1.00 0.00 O ATOM 1482 CB LYS A 100 5.107 -0.308 -7.504 1.00 0.00 C ATOM 1483 CG LYS A 100 4.492 -1.486 -8.263 1.00 0.00 C ATOM 1484 CD LYS A 100 3.939 -0.995 -9.602 1.00 0.00 C ATOM 1485 CE LYS A 100 3.582 -2.197 -10.479 1.00 0.00 C ATOM 1486 NZ LYS A 100 3.940 -1.900 -11.894 1.00 0.00 N ATOM 0 H LYS A 100 2.502 0.711 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 100 4.283 -0.519 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 100 5.292 0.521 -8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.071 -0.596 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.243 -2.258 -8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.695 -1.938 -7.672 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.057 -0.376 -9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.677 -0.371 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.116 -3.083 -10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.517 -2.416 -10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.698 -2.716 -12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.412 -1.065 -12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.961 -1.712 -11.962 1.00 0.00 H new ATOM 1500 N ILE A 101 5.237 1.753 -4.936 1.00 0.00 N ATOM 1501 CA ILE A 101 5.594 3.132 -4.498 1.00 0.00 C ATOM 1502 C ILE A 101 6.834 3.598 -5.274 1.00 0.00 C ATOM 1503 O ILE A 101 7.628 2.802 -5.732 1.00 0.00 O ATOM 1504 CB ILE A 101 5.857 3.129 -2.972 1.00 0.00 C ATOM 1505 CG1 ILE A 101 4.818 4.018 -2.282 1.00 0.00 C ATOM 1506 CG2 ILE A 101 7.264 3.655 -2.641 1.00 0.00 C ATOM 1507 CD1 ILE A 101 5.219 4.248 -0.821 1.00 0.00 C ATOM 0 H ILE A 101 5.621 1.003 -4.361 1.00 0.00 H new ATOM 0 HA ILE A 101 4.777 3.823 -4.704 1.00 0.00 H new ATOM 0 HB ILE A 101 5.783 2.101 -2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 101 4.740 4.973 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 101 3.835 3.548 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.414 3.639 -1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.011 3.023 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.366 4.677 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 101 4.476 4.881 -0.335 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.274 3.290 -0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.193 4.737 -0.784 1.00 0.00 H new ATOM 1519 N THR A 102 7.010 4.883 -5.407 1.00 0.00 N ATOM 1520 CA THR A 102 8.202 5.402 -6.132 1.00 0.00 C ATOM 1521 C THR A 102 9.071 6.179 -5.144 1.00 0.00 C ATOM 1522 O THR A 102 8.811 7.327 -4.845 1.00 0.00 O ATOM 1523 CB THR A 102 7.756 6.330 -7.265 1.00 0.00 C ATOM 1524 OG1 THR A 102 6.354 6.206 -7.455 1.00 0.00 O ATOM 1525 CG2 THR A 102 8.482 5.950 -8.555 1.00 0.00 C ATOM 0 H THR A 102 6.378 5.597 -5.044 1.00 0.00 H new ATOM 0 HA THR A 102 8.768 4.573 -6.558 1.00 0.00 H new ATOM 0 HB THR A 102 7.998 7.361 -7.005 1.00 0.00 H new ATOM 0 HG1 THR A 102 6.068 6.801 -8.179 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.163 6.612 -9.360 1.00 0.00 H new ATOM 0 HG22 THR A 102 9.558 6.048 -8.409 1.00 0.00 H new ATOM 0 HG23 THR A 102 8.244 4.919 -8.817 1.00 0.00 H new ATOM 1533 N VAL A 103 10.094 5.560 -4.625 1.00 0.00 N ATOM 1534 CA VAL A 103 10.969 6.262 -3.647 1.00 0.00 C ATOM 1535 C VAL A 103 12.221 6.776 -4.357 1.00 0.00 C ATOM 1536 O VAL A 103 13.282 6.190 -4.269 1.00 0.00 O ATOM 1537 CB VAL A 103 11.372 5.290 -2.536 1.00 0.00 C ATOM 1538 CG1 VAL A 103 12.476 5.916 -1.684 1.00 0.00 C ATOM 1539 CG2 VAL A 103 10.158 4.994 -1.652 1.00 0.00 C ATOM 0 H VAL A 103 10.362 4.599 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 103 10.429 7.104 -3.215 1.00 0.00 H new ATOM 0 HB VAL A 103 11.736 4.364 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 103 12.762 5.223 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 103 13.342 6.130 -2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 103 12.112 6.843 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.444 4.302 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.796 5.922 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.368 4.548 -2.256 1.00 0.00 H new ATOM 1549 N ALA A 104 12.106 7.870 -5.059 1.00 0.00 N ATOM 1550 CA ALA A 104 13.289 8.425 -5.774 1.00 0.00 C ATOM 1551 C ALA A 104 14.359 8.823 -4.754 1.00 0.00 C ATOM 1552 O ALA A 104 14.066 9.411 -3.732 1.00 0.00 O ATOM 1553 CB ALA A 104 12.866 9.656 -6.577 1.00 0.00 C ATOM 0 H ALA A 104 11.243 8.403 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 104 13.694 7.672 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.731 10.063 -7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 104 12.103 9.373 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 104 12.463 10.410 -5.901 1.00 0.00 H new ATOM 1559 N GLY A 105 15.596 8.505 -5.022 1.00 0.00 N ATOM 1560 CA GLY A 105 16.682 8.864 -4.067 1.00 0.00 C ATOM 1561 C GLY A 105 17.338 7.589 -3.535 1.00 0.00 C ATOM 1562 O GLY A 105 17.511 7.493 -2.331 1.00 0.00 O ATOM 1563 OXT GLY A 105 17.656 6.729 -4.340 1.00 0.00 O ATOM 0 H GLY A 105 15.901 8.012 -5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.425 9.488 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 105 16.276 9.448 -3.241 1.00 0.00 H new TER 1567 GLY A 105 HETATM 1568 CU CU A 106 -8.907 -4.705 -1.015 1.00 0.00 CU