USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 509 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 59:sc= 0.559 USER MOD Single : A 5 SER OG : rot 59:sc= 1.17 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.165 K(o=-0.16,f=-0.89) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= -0.173 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 45 SER OG : rot -85:sc= 0.0265 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0592 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= -1.78 (180deg=-3.54!) USER MOD Single : A 58 MET CE :methyl -122:sc= -2.46 (180deg=-6.42!) USER MOD Single : A 59 GLN : amide:sc= -0.0094 X(o=-0.0094,f=-0.1) USER MOD Single : A 61 SER OG : rot 85:sc= 0.187 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.050 -15.327 25.322 1.00 0.00 N ATOM 2 CA GLY A 1 -8.417 -15.208 24.853 1.00 0.00 C ATOM 3 C GLY A 1 -8.497 -14.806 23.394 1.00 0.00 C ATOM 4 O GLY A 1 -8.119 -13.692 23.028 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.050 -15.604 26.325 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.553 -16.050 24.763 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.565 -14.413 25.215 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.930 -16.160 24.993 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.943 -14.470 25.459 1.00 0.00 H new ATOM 8 N SER A 2 -8.988 -15.714 22.556 1.00 0.00 N ATOM 9 CA SER A 2 -9.109 -15.450 21.128 1.00 0.00 C ATOM 10 C SER A 2 -10.255 -14.481 20.850 1.00 0.00 C ATOM 11 O SER A 2 -11.103 -14.243 21.709 1.00 0.00 O ATOM 12 CB SER A 2 -9.336 -16.756 20.363 1.00 0.00 C ATOM 13 OG SER A 2 -8.111 -17.429 20.129 1.00 0.00 O ATOM 0 H SER A 2 -9.308 -16.639 22.842 1.00 0.00 H new ATOM 0 HA SER A 2 -8.179 -14.995 20.788 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.007 -17.402 20.930 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.826 -16.544 19.412 1.00 0.00 H new ATOM 0 HG SER A 2 -8.283 -18.261 19.640 1.00 0.00 H new ATOM 19 N SER A 3 -10.271 -13.923 19.643 1.00 0.00 N ATOM 20 CA SER A 3 -11.309 -12.977 19.253 1.00 0.00 C ATOM 21 C SER A 3 -11.086 -12.485 17.826 1.00 0.00 C ATOM 22 O SER A 3 -9.966 -12.502 17.319 1.00 0.00 O ATOM 23 CB SER A 3 -11.334 -11.788 20.217 1.00 0.00 C ATOM 24 OG SER A 3 -12.431 -11.880 21.110 1.00 0.00 O ATOM 0 H SER A 3 -9.577 -14.110 18.919 1.00 0.00 H new ATOM 0 HA SER A 3 -12.270 -13.490 19.296 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.403 -11.754 20.782 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.398 -10.858 19.652 1.00 0.00 H new ATOM 0 HG SER A 3 -12.366 -12.712 21.623 1.00 0.00 H new ATOM 30 N GLY A 4 -12.163 -12.045 17.183 1.00 0.00 N ATOM 31 CA GLY A 4 -12.066 -11.554 15.821 1.00 0.00 C ATOM 32 C GLY A 4 -13.059 -12.223 14.891 1.00 0.00 C ATOM 33 O GLY A 4 -13.468 -13.360 15.123 1.00 0.00 O ATOM 0 H GLY A 4 -13.102 -12.020 17.581 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.235 -10.477 15.813 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.055 -11.721 15.449 1.00 0.00 H new ATOM 37 N SER A 5 -13.450 -11.514 13.837 1.00 0.00 N ATOM 38 CA SER A 5 -14.406 -12.044 12.872 1.00 0.00 C ATOM 39 C SER A 5 -14.749 -10.997 11.816 1.00 0.00 C ATOM 40 O SER A 5 -14.593 -11.233 10.618 1.00 0.00 O ATOM 41 CB SER A 5 -15.680 -12.504 13.583 1.00 0.00 C ATOM 42 OG SER A 5 -15.664 -13.904 13.804 1.00 0.00 O ATOM 0 H SER A 5 -13.120 -10.572 13.630 1.00 0.00 H new ATOM 0 HA SER A 5 -13.947 -12.899 12.376 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.777 -11.983 14.536 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.551 -12.237 12.984 1.00 0.00 H new ATOM 0 HG SER A 5 -14.887 -14.140 14.352 1.00 0.00 H new ATOM 48 N SER A 6 -15.217 -9.839 12.270 1.00 0.00 N ATOM 49 CA SER A 6 -15.587 -8.756 11.367 1.00 0.00 C ATOM 50 C SER A 6 -14.572 -8.623 10.235 1.00 0.00 C ATOM 51 O SER A 6 -13.397 -8.343 10.470 1.00 0.00 O ATOM 52 CB SER A 6 -15.689 -7.436 12.133 1.00 0.00 C ATOM 53 OG SER A 6 -17.011 -7.217 12.598 1.00 0.00 O ATOM 0 H SER A 6 -15.349 -9.627 13.259 1.00 0.00 H new ATOM 0 HA SER A 6 -16.559 -8.992 10.935 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.000 -7.448 12.978 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.386 -6.612 11.486 1.00 0.00 H new ATOM 0 HG SER A 6 -17.050 -6.368 13.086 1.00 0.00 H new ATOM 59 N GLY A 7 -15.036 -8.826 9.006 1.00 0.00 N ATOM 60 CA GLY A 7 -14.157 -8.724 7.856 1.00 0.00 C ATOM 61 C GLY A 7 -13.637 -7.316 7.646 1.00 0.00 C ATOM 62 O GLY A 7 -13.662 -6.494 8.561 1.00 0.00 O ATOM 0 H GLY A 7 -16.004 -9.059 8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.315 -9.403 7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.693 -9.047 6.963 1.00 0.00 H new ATOM 66 N VAL A 8 -13.163 -7.036 6.435 1.00 0.00 N ATOM 67 CA VAL A 8 -12.634 -5.718 6.108 1.00 0.00 C ATOM 68 C VAL A 8 -11.861 -5.128 7.282 1.00 0.00 C ATOM 69 O VAL A 8 -11.870 -3.917 7.501 1.00 0.00 O ATOM 70 CB VAL A 8 -13.759 -4.744 5.709 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.346 -5.132 4.360 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.839 -4.711 6.779 1.00 0.00 C ATOM 0 H VAL A 8 -13.135 -7.705 5.665 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.960 -5.850 5.262 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.336 -3.743 5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.139 -4.433 4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.565 -5.100 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.755 -6.141 4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.626 -4.018 6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.261 -5.709 6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.405 -4.383 7.724 1.00 0.00 H new ATOM 82 N GLY A 9 -11.190 -5.994 8.037 1.00 0.00 N ATOM 83 CA GLY A 9 -10.420 -5.541 9.180 1.00 0.00 C ATOM 84 C GLY A 9 -9.044 -5.038 8.791 1.00 0.00 C ATOM 85 O GLY A 9 -8.577 -4.023 9.307 1.00 0.00 O ATOM 0 H GLY A 9 -11.167 -7.001 7.877 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.964 -4.745 9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.316 -6.360 9.892 1.00 0.00 H new ATOM 89 N THR A 10 -8.392 -5.751 7.877 1.00 0.00 N ATOM 90 CA THR A 10 -7.061 -5.373 7.420 1.00 0.00 C ATOM 91 C THR A 10 -7.096 -4.059 6.650 1.00 0.00 C ATOM 92 O THR A 10 -6.259 -3.181 6.863 1.00 0.00 O ATOM 93 CB THR A 10 -6.444 -6.464 6.525 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.393 -7.708 7.231 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.043 -6.070 6.079 1.00 0.00 C ATOM 0 H THR A 10 -8.765 -6.593 7.439 1.00 0.00 H new ATOM 0 HA THR A 10 -6.444 -5.252 8.310 1.00 0.00 H new ATOM 0 HB THR A 10 -7.072 -6.575 5.641 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.001 -8.396 6.654 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.628 -6.856 5.448 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.089 -5.138 5.515 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.408 -5.933 6.954 1.00 0.00 H new ATOM 103 N ILE A 11 -8.069 -3.929 5.755 1.00 0.00 N ATOM 104 CA ILE A 11 -8.214 -2.720 4.955 1.00 0.00 C ATOM 105 C ILE A 11 -8.341 -1.485 5.841 1.00 0.00 C ATOM 106 O ILE A 11 -7.528 -0.564 5.760 1.00 0.00 O ATOM 107 CB ILE A 11 -9.443 -2.800 4.029 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.378 -4.064 3.169 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.528 -1.560 3.152 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.576 -4.973 3.338 1.00 0.00 C ATOM 0 H ILE A 11 -8.769 -4.647 5.566 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.314 -2.637 4.346 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.341 -2.847 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.295 -3.777 2.121 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.474 -4.618 3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.401 -1.632 2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.615 -0.674 3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.628 -1.484 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.462 -5.848 2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.648 -5.290 4.378 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.483 -4.436 3.059 1.00 0.00 H new ATOM 122 N ASP A 12 -9.364 -1.474 6.689 1.00 0.00 N ATOM 123 CA ASP A 12 -9.596 -0.354 7.593 1.00 0.00 C ATOM 124 C ASP A 12 -8.276 0.199 8.121 1.00 0.00 C ATOM 125 O ASP A 12 -8.137 1.404 8.327 1.00 0.00 O ATOM 126 CB ASP A 12 -10.484 -0.789 8.760 1.00 0.00 C ATOM 127 CG ASP A 12 -11.082 0.390 9.503 1.00 0.00 C ATOM 128 OD1 ASP A 12 -10.425 1.451 9.558 1.00 0.00 O ATOM 129 OD2 ASP A 12 -12.206 0.252 10.028 1.00 0.00 O ATOM 0 H ASP A 12 -10.046 -2.228 6.769 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.103 0.433 7.035 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.287 -1.424 8.385 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.898 -1.392 9.453 1.00 0.00 H new ATOM 134 N GLN A 13 -7.312 -0.689 8.338 1.00 0.00 N ATOM 135 CA GLN A 13 -6.004 -0.289 8.844 1.00 0.00 C ATOM 136 C GLN A 13 -5.106 0.192 7.710 1.00 0.00 C ATOM 137 O GLN A 13 -4.521 1.274 7.782 1.00 0.00 O ATOM 138 CB GLN A 13 -5.340 -1.453 9.579 1.00 0.00 C ATOM 139 CG GLN A 13 -5.928 -1.720 10.956 1.00 0.00 C ATOM 140 CD GLN A 13 -5.848 -3.181 11.352 1.00 0.00 C ATOM 141 OE1 GLN A 13 -6.200 -4.068 10.574 1.00 0.00 O ATOM 142 NE2 GLN A 13 -5.381 -3.440 12.568 1.00 0.00 N ATOM 0 H GLN A 13 -7.412 -1.690 8.171 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.149 0.535 9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.432 -2.354 8.973 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.275 -1.246 9.682 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.400 -1.118 11.695 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.970 -1.400 10.970 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.100 -2.674 13.180 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.303 -4.405 12.889 1.00 0.00 H new ATOM 151 N LEU A 14 -4.998 -0.620 6.664 1.00 0.00 N ATOM 152 CA LEU A 14 -4.170 -0.277 5.512 1.00 0.00 C ATOM 153 C LEU A 14 -4.402 1.168 5.085 1.00 0.00 C ATOM 154 O LEU A 14 -3.494 1.997 5.143 1.00 0.00 O ATOM 155 CB LEU A 14 -4.468 -1.221 4.346 1.00 0.00 C ATOM 156 CG LEU A 14 -3.803 -0.873 3.014 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.289 -0.881 3.155 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.246 -1.842 1.928 1.00 0.00 C ATOM 0 H LEU A 14 -5.473 -1.520 6.589 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.125 -0.386 5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.160 -2.227 4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.547 -1.249 4.194 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.114 0.131 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.833 -0.631 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.989 -0.146 3.902 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.958 -1.871 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.763 -1.579 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.965 -2.857 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.328 -1.785 1.809 1.00 0.00 H new ATOM 170 N VAL A 15 -5.625 1.463 4.656 1.00 0.00 N ATOM 171 CA VAL A 15 -5.978 2.810 4.221 1.00 0.00 C ATOM 172 C VAL A 15 -5.353 3.863 5.129 1.00 0.00 C ATOM 173 O VAL A 15 -4.572 4.702 4.679 1.00 0.00 O ATOM 174 CB VAL A 15 -7.505 3.009 4.199 1.00 0.00 C ATOM 175 CG1 VAL A 15 -7.850 4.489 4.114 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.126 2.242 3.040 1.00 0.00 C ATOM 0 H VAL A 15 -6.388 0.788 4.600 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.588 2.929 3.210 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.918 2.616 5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.933 4.610 4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.438 5.009 4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.426 4.910 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.205 2.394 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.709 2.603 2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.909 1.179 3.149 1.00 0.00 H new ATOM 186 N LYS A 16 -5.698 3.811 6.410 1.00 0.00 N ATOM 187 CA LYS A 16 -5.169 4.759 7.384 1.00 0.00 C ATOM 188 C LYS A 16 -3.682 5.006 7.151 1.00 0.00 C ATOM 189 O LYS A 16 -3.199 6.128 7.303 1.00 0.00 O ATOM 190 CB LYS A 16 -5.394 4.240 8.806 1.00 0.00 C ATOM 191 CG LYS A 16 -4.133 3.708 9.466 1.00 0.00 C ATOM 192 CD LYS A 16 -4.447 2.980 10.762 1.00 0.00 C ATOM 193 CE LYS A 16 -3.178 2.606 11.512 1.00 0.00 C ATOM 194 NZ LYS A 16 -2.554 1.369 10.963 1.00 0.00 N ATOM 0 H LYS A 16 -6.342 3.122 6.799 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.700 5.703 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.802 5.045 9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.143 3.448 8.781 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.621 3.031 8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.451 4.534 9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.071 3.612 11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.022 2.079 10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.466 3.429 11.454 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.409 2.459 12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.692 1.147 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.224 0.578 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.310 1.518 9.963 1.00 0.00 H new ATOM 208 N ARG A 17 -2.963 3.952 6.780 1.00 0.00 N ATOM 209 CA ARG A 17 -1.532 4.055 6.525 1.00 0.00 C ATOM 210 C ARG A 17 -1.250 5.045 5.398 1.00 0.00 C ATOM 211 O ARG A 17 -0.710 6.127 5.628 1.00 0.00 O ATOM 212 CB ARG A 17 -0.955 2.684 6.170 1.00 0.00 C ATOM 213 CG ARG A 17 -1.339 1.589 7.152 1.00 0.00 C ATOM 214 CD ARG A 17 -0.538 0.318 6.912 1.00 0.00 C ATOM 215 NE ARG A 17 -0.421 -0.491 8.122 1.00 0.00 N ATOM 216 CZ ARG A 17 0.254 -0.108 9.200 1.00 0.00 C ATOM 217 NH1 ARG A 17 0.868 1.068 9.218 1.00 0.00 N ATOM 218 NH2 ARG A 17 0.316 -0.900 10.262 1.00 0.00 N ATOM 0 H ARG A 17 -3.348 3.017 6.649 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.052 4.419 7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.296 2.403 5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.132 2.757 6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.172 1.938 8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.403 1.372 7.059 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.016 -0.269 6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.457 0.579 6.553 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.883 -1.400 8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.822 1.680 8.403 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.386 1.360 10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.155 -1.805 10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.835 -0.604 11.089 1.00 0.00 H new ATOM 232 N VAL A 18 -1.618 4.665 4.179 1.00 0.00 N ATOM 233 CA VAL A 18 -1.405 5.518 3.015 1.00 0.00 C ATOM 234 C VAL A 18 -1.902 6.936 3.276 1.00 0.00 C ATOM 235 O VAL A 18 -1.441 7.891 2.650 1.00 0.00 O ATOM 236 CB VAL A 18 -2.117 4.956 1.770 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.714 3.509 1.531 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.626 5.081 1.918 1.00 0.00 C ATOM 0 H VAL A 18 -2.065 3.772 3.971 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.331 5.541 2.830 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.810 5.541 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.227 3.130 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.636 3.452 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.989 2.907 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.113 4.679 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.953 4.523 2.795 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.894 6.131 2.035 1.00 0.00 H new ATOM 248 N ILE A 19 -2.845 7.065 4.203 1.00 0.00 N ATOM 249 CA ILE A 19 -3.403 8.366 4.547 1.00 0.00 C ATOM 250 C ILE A 19 -2.420 9.183 5.379 1.00 0.00 C ATOM 251 O ILE A 19 -2.013 10.275 4.982 1.00 0.00 O ATOM 252 CB ILE A 19 -4.724 8.225 5.327 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.809 7.623 4.429 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.167 9.575 5.869 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.430 8.622 3.480 1.00 0.00 C ATOM 0 H ILE A 19 -3.238 6.285 4.729 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.599 8.883 3.608 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.561 7.554 6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.379 6.805 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.591 7.194 5.055 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.102 9.458 6.417 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.401 9.968 6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.316 10.268 5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.189 8.126 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.890 9.429 4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.659 9.033 2.828 1.00 0.00 H new ATOM 267 N GLU A 20 -2.042 8.646 6.535 1.00 0.00 N ATOM 268 CA GLU A 20 -1.105 9.326 7.422 1.00 0.00 C ATOM 269 C GLU A 20 0.321 9.217 6.894 1.00 0.00 C ATOM 270 O GLU A 20 1.228 9.893 7.378 1.00 0.00 O ATOM 271 CB GLU A 20 -1.186 8.737 8.832 1.00 0.00 C ATOM 272 CG GLU A 20 -2.540 8.133 9.163 1.00 0.00 C ATOM 273 CD GLU A 20 -3.054 8.562 10.524 1.00 0.00 C ATOM 274 OE1 GLU A 20 -3.164 9.784 10.757 1.00 0.00 O ATOM 275 OE2 GLU A 20 -3.346 7.678 11.355 1.00 0.00 O ATOM 0 H GLU A 20 -2.370 7.743 6.879 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.379 10.380 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.419 7.970 8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.960 9.519 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.260 8.424 8.399 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.466 7.046 9.133 1.00 0.00 H new ATOM 282 N GLY A 21 0.513 8.358 5.897 1.00 0.00 N ATOM 283 CA GLY A 21 1.832 8.174 5.320 1.00 0.00 C ATOM 284 C GLY A 21 2.710 7.265 6.156 1.00 0.00 C ATOM 285 O GLY A 21 3.857 6.997 5.798 1.00 0.00 O ATOM 0 H GLY A 21 -0.221 7.787 5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.732 7.756 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.317 9.144 5.213 1.00 0.00 H new ATOM 289 N SER A 22 2.171 6.790 7.275 1.00 0.00 N ATOM 290 CA SER A 22 2.915 5.910 8.168 1.00 0.00 C ATOM 291 C SER A 22 3.695 4.866 7.375 1.00 0.00 C ATOM 292 O SER A 22 4.691 4.321 7.855 1.00 0.00 O ATOM 293 CB SER A 22 1.964 5.218 9.147 1.00 0.00 C ATOM 294 OG SER A 22 2.634 4.209 9.882 1.00 0.00 O ATOM 0 H SER A 22 1.222 7.000 7.584 1.00 0.00 H new ATOM 0 HA SER A 22 3.623 6.518 8.730 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.544 5.954 9.833 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.129 4.780 8.600 1.00 0.00 H new ATOM 0 HG SER A 22 2.005 3.783 10.501 1.00 0.00 H new ATOM 300 N LEU A 23 3.236 4.590 6.160 1.00 0.00 N ATOM 301 CA LEU A 23 3.890 3.611 5.298 1.00 0.00 C ATOM 302 C LEU A 23 4.546 4.290 4.100 1.00 0.00 C ATOM 303 O LEU A 23 3.982 5.213 3.513 1.00 0.00 O ATOM 304 CB LEU A 23 2.877 2.570 4.818 1.00 0.00 C ATOM 305 CG LEU A 23 2.313 2.781 3.412 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.693 1.496 2.887 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.292 3.908 3.410 1.00 0.00 C ATOM 0 H LEU A 23 2.413 5.030 5.749 1.00 0.00 H new ATOM 0 HA LEU A 23 4.667 3.114 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.350 1.588 4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.045 2.550 5.522 1.00 0.00 H new ATOM 0 HG LEU A 23 3.133 3.061 2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.297 1.666 1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.452 0.715 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.885 1.185 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.902 4.044 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.474 3.659 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.768 4.831 3.742 1.00 0.00 H new ATOM 319 N SER A 24 5.739 3.826 3.743 1.00 0.00 N ATOM 320 CA SER A 24 6.472 4.391 2.617 1.00 0.00 C ATOM 321 C SER A 24 5.644 4.317 1.338 1.00 0.00 C ATOM 322 O SER A 24 4.644 3.603 1.256 1.00 0.00 O ATOM 323 CB SER A 24 7.798 3.651 2.423 1.00 0.00 C ATOM 324 OG SER A 24 8.897 4.475 2.773 1.00 0.00 O ATOM 0 H SER A 24 6.218 3.061 4.217 1.00 0.00 H new ATOM 0 HA SER A 24 6.677 5.439 2.837 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.807 2.748 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.893 3.334 1.384 1.00 0.00 H new ATOM 0 HG SER A 24 9.732 3.979 2.642 1.00 0.00 H new ATOM 330 N PRO A 25 6.068 5.073 0.315 1.00 0.00 N ATOM 331 CA PRO A 25 5.382 5.111 -0.979 1.00 0.00 C ATOM 332 C PRO A 25 5.531 3.807 -1.754 1.00 0.00 C ATOM 333 O PRO A 25 4.635 3.408 -2.499 1.00 0.00 O ATOM 334 CB PRO A 25 6.082 6.255 -1.719 1.00 0.00 C ATOM 335 CG PRO A 25 7.434 6.335 -1.099 1.00 0.00 C ATOM 336 CD PRO A 25 7.253 5.948 0.342 1.00 0.00 C ATOM 0 HA PRO A 25 4.307 5.252 -0.865 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.148 6.053 -2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.538 7.192 -1.604 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.133 5.664 -1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.843 7.342 -1.184 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.128 5.427 0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.094 6.821 0.975 1.00 0.00 H new ATOM 344 N LYS A 26 6.669 3.144 -1.574 1.00 0.00 N ATOM 345 CA LYS A 26 6.937 1.883 -2.255 1.00 0.00 C ATOM 346 C LYS A 26 6.105 0.754 -1.655 1.00 0.00 C ATOM 347 O LYS A 26 5.556 -0.076 -2.378 1.00 0.00 O ATOM 348 CB LYS A 26 8.425 1.537 -2.166 1.00 0.00 C ATOM 349 CG LYS A 26 8.869 0.494 -3.177 1.00 0.00 C ATOM 350 CD LYS A 26 9.260 1.131 -4.500 1.00 0.00 C ATOM 351 CE LYS A 26 10.327 0.318 -5.216 1.00 0.00 C ATOM 352 NZ LYS A 26 11.534 1.134 -5.525 1.00 0.00 N ATOM 0 H LYS A 26 7.421 3.460 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 26 6.660 1.999 -3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.010 2.445 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.646 1.175 -1.162 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.715 -0.065 -2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.063 -0.222 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.380 1.219 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.628 2.142 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.613 -0.532 -4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.916 -0.086 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.237 0.543 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.267 1.931 -6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.942 1.499 -4.641 1.00 0.00 H new ATOM 366 N GLU A 27 6.015 0.732 -0.329 1.00 0.00 N ATOM 367 CA GLU A 27 5.248 -0.295 0.368 1.00 0.00 C ATOM 368 C GLU A 27 3.850 -0.430 -0.231 1.00 0.00 C ATOM 369 O GLU A 27 3.324 -1.535 -0.362 1.00 0.00 O ATOM 370 CB GLU A 27 5.148 0.034 1.857 1.00 0.00 C ATOM 371 CG GLU A 27 6.127 -0.746 2.720 1.00 0.00 C ATOM 372 CD GLU A 27 5.549 -2.059 3.216 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.933 -2.065 4.301 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.716 -3.079 2.515 1.00 0.00 O ATOM 0 H GLU A 27 6.463 1.413 0.284 1.00 0.00 H new ATOM 0 HA GLU A 27 5.769 -1.245 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.323 1.101 1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.133 -0.170 2.198 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.032 -0.945 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.419 -0.136 3.575 1.00 0.00 H new ATOM 381 N ARG A 28 3.256 0.703 -0.589 1.00 0.00 N ATOM 382 CA ARG A 28 1.918 0.714 -1.170 1.00 0.00 C ATOM 383 C ARG A 28 1.853 -0.189 -2.400 1.00 0.00 C ATOM 384 O ARG A 28 1.104 -1.165 -2.428 1.00 0.00 O ATOM 385 CB ARG A 28 1.514 2.139 -1.549 1.00 0.00 C ATOM 386 CG ARG A 28 1.485 3.097 -0.369 1.00 0.00 C ATOM 387 CD ARG A 28 1.102 4.504 -0.803 1.00 0.00 C ATOM 388 NE ARG A 28 1.509 5.509 0.175 1.00 0.00 N ATOM 389 CZ ARG A 28 1.228 6.802 0.060 1.00 0.00 C ATOM 390 NH1 ARG A 28 0.542 7.245 -0.984 1.00 0.00 N ATOM 391 NH2 ARG A 28 1.633 7.655 0.992 1.00 0.00 N ATOM 0 H ARG A 28 3.679 1.625 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 28 1.222 0.334 -0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.210 2.518 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.528 2.117 -2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.774 2.738 0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.464 3.116 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.565 4.725 -1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.023 4.557 -0.949 1.00 0.00 H new ATOM 0 HE ARG A 28 2.038 5.201 0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.228 6.592 -1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.328 8.239 -1.069 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.160 7.318 1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.417 8.648 0.903 1.00 0.00 H new ATOM 405 N THR A 29 2.643 0.146 -3.415 1.00 0.00 N ATOM 406 CA THR A 29 2.676 -0.632 -4.647 1.00 0.00 C ATOM 407 C THR A 29 2.923 -2.108 -4.360 1.00 0.00 C ATOM 408 O THR A 29 2.394 -2.982 -5.047 1.00 0.00 O ATOM 409 CB THR A 29 3.765 -0.118 -5.608 1.00 0.00 C ATOM 410 OG1 THR A 29 3.319 1.077 -6.260 1.00 0.00 O ATOM 411 CG2 THR A 29 4.107 -1.172 -6.650 1.00 0.00 C ATOM 0 H THR A 29 3.269 0.951 -3.408 1.00 0.00 H new ATOM 0 HA THR A 29 1.701 -0.515 -5.119 1.00 0.00 H new ATOM 0 HB THR A 29 4.660 0.099 -5.025 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.017 1.398 -6.868 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.878 -0.787 -7.318 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.473 -2.070 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.215 -1.415 -7.228 1.00 0.00 H new ATOM 419 N LEU A 30 3.730 -2.380 -3.339 1.00 0.00 N ATOM 420 CA LEU A 30 4.047 -3.752 -2.959 1.00 0.00 C ATOM 421 C LEU A 30 2.812 -4.468 -2.422 1.00 0.00 C ATOM 422 O LEU A 30 2.665 -5.680 -2.580 1.00 0.00 O ATOM 423 CB LEU A 30 5.159 -3.767 -1.909 1.00 0.00 C ATOM 424 CG LEU A 30 6.482 -3.122 -2.323 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.414 -3.004 -1.127 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.139 -3.922 -3.438 1.00 0.00 C ATOM 0 H LEU A 30 4.176 -1.668 -2.760 1.00 0.00 H new ATOM 0 HA LEU A 30 4.390 -4.280 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.795 -3.260 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.354 -4.803 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 30 6.275 -2.119 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.351 -2.543 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.945 -2.388 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.615 -3.996 -0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.079 -3.449 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.333 -4.937 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.476 -3.954 -4.302 1.00 0.00 H new ATOM 438 N LEU A 31 1.926 -3.710 -1.785 1.00 0.00 N ATOM 439 CA LEU A 31 0.702 -4.270 -1.224 1.00 0.00 C ATOM 440 C LEU A 31 0.043 -5.232 -2.208 1.00 0.00 C ATOM 441 O LEU A 31 -0.383 -6.325 -1.834 1.00 0.00 O ATOM 442 CB LEU A 31 -0.274 -3.151 -0.856 1.00 0.00 C ATOM 443 CG LEU A 31 0.184 -2.197 0.248 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.749 -1.000 0.340 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.256 -2.924 1.583 1.00 0.00 C ATOM 0 H LEU A 31 2.033 -2.705 -1.644 1.00 0.00 H new ATOM 0 HA LEU A 31 0.965 -4.824 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.479 -2.566 -1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.216 -3.605 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 31 1.182 -1.835 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.407 -0.332 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.751 -0.466 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.759 -1.342 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.584 -2.231 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.729 -3.314 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.965 -3.748 1.511 1.00 0.00 H new ATOM 457 N LYS A 32 -0.037 -4.818 -3.469 1.00 0.00 N ATOM 458 CA LYS A 32 -0.640 -5.643 -4.508 1.00 0.00 C ATOM 459 C LYS A 32 0.136 -6.944 -4.689 1.00 0.00 C ATOM 460 O LYS A 32 -0.448 -7.992 -4.962 1.00 0.00 O ATOM 461 CB LYS A 32 -0.687 -4.877 -5.832 1.00 0.00 C ATOM 462 CG LYS A 32 -1.026 -3.405 -5.672 1.00 0.00 C ATOM 463 CD LYS A 32 -2.173 -2.994 -6.580 1.00 0.00 C ATOM 464 CE LYS A 32 -1.668 -2.525 -7.936 1.00 0.00 C ATOM 465 NZ LYS A 32 -2.246 -1.207 -8.316 1.00 0.00 N ATOM 0 H LYS A 32 0.309 -3.915 -3.795 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.657 -5.887 -4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.279 -4.967 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.425 -5.342 -6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.292 -3.203 -4.634 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.147 -2.802 -5.899 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.852 -3.836 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.745 -2.196 -6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.581 -2.452 -7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.922 -3.266 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.878 -0.922 -9.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.282 -1.283 -8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.982 -0.495 -7.606 1.00 0.00 H new ATOM 479 N GLU A 33 1.454 -6.869 -4.533 1.00 0.00 N ATOM 480 CA GLU A 33 2.307 -8.042 -4.678 1.00 0.00 C ATOM 481 C GLU A 33 2.062 -9.038 -3.548 1.00 0.00 C ATOM 482 O GLU A 33 2.502 -10.186 -3.611 1.00 0.00 O ATOM 483 CB GLU A 33 3.781 -7.629 -4.697 1.00 0.00 C ATOM 484 CG GLU A 33 4.113 -6.612 -5.776 1.00 0.00 C ATOM 485 CD GLU A 33 5.556 -6.701 -6.237 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.008 -7.819 -6.559 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.230 -5.651 -6.277 1.00 0.00 O ATOM 0 H GLU A 33 1.954 -6.009 -4.306 1.00 0.00 H new ATOM 0 HA GLU A 33 2.059 -8.524 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.046 -7.214 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.397 -8.516 -4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.453 -6.765 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.918 -5.609 -5.397 1.00 0.00 H new ATOM 494 N ASP A 34 1.358 -8.588 -2.515 1.00 0.00 N ATOM 495 CA ASP A 34 1.053 -9.439 -1.370 1.00 0.00 C ATOM 496 C ASP A 34 -0.304 -10.114 -1.541 1.00 0.00 C ATOM 497 O ASP A 34 -1.235 -9.553 -2.118 1.00 0.00 O ATOM 498 CB ASP A 34 1.069 -8.618 -0.079 1.00 0.00 C ATOM 499 CG ASP A 34 1.851 -9.297 1.028 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.845 -9.985 0.717 1.00 0.00 O ATOM 501 OD2 ASP A 34 1.467 -9.141 2.207 1.00 0.00 O ATOM 0 H ASP A 34 0.988 -7.640 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 34 1.818 -10.213 -1.309 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.504 -7.639 -0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.045 -8.450 0.254 1.00 0.00 H new ATOM 506 N PRO A 35 -0.419 -11.349 -1.029 1.00 0.00 N ATOM 507 CA PRO A 35 -1.659 -12.128 -1.114 1.00 0.00 C ATOM 508 C PRO A 35 -2.765 -11.554 -0.235 1.00 0.00 C ATOM 509 O PRO A 35 -3.946 -11.649 -0.568 1.00 0.00 O ATOM 510 CB PRO A 35 -1.242 -13.513 -0.612 1.00 0.00 C ATOM 511 CG PRO A 35 -0.066 -13.259 0.268 1.00 0.00 C ATOM 512 CD PRO A 35 0.650 -12.079 -0.329 1.00 0.00 C ATOM 0 HA PRO A 35 -2.071 -12.131 -2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.051 -13.995 -0.063 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.982 -14.172 -1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.381 -13.048 1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.586 -14.131 0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.120 -11.464 0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.438 -12.392 -1.014 1.00 0.00 H new ATOM 520 N ALA A 36 -2.374 -10.959 0.887 1.00 0.00 N ATOM 521 CA ALA A 36 -3.334 -10.367 1.812 1.00 0.00 C ATOM 522 C ALA A 36 -4.145 -9.270 1.133 1.00 0.00 C ATOM 523 O ALA A 36 -5.317 -9.064 1.450 1.00 0.00 O ATOM 524 CB ALA A 36 -2.617 -9.817 3.036 1.00 0.00 C ATOM 0 H ALA A 36 -1.400 -10.874 1.178 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.024 -11.148 2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.345 -9.378 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.088 -10.625 3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.903 -9.053 2.727 1.00 0.00 H new ATOM 530 N TYR A 37 -3.515 -8.566 0.200 1.00 0.00 N ATOM 531 CA TYR A 37 -4.177 -7.485 -0.521 1.00 0.00 C ATOM 532 C TYR A 37 -4.432 -7.876 -1.974 1.00 0.00 C ATOM 533 O TYR A 37 -4.022 -7.176 -2.898 1.00 0.00 O ATOM 534 CB TYR A 37 -3.331 -6.212 -0.465 1.00 0.00 C ATOM 535 CG TYR A 37 -2.897 -5.835 0.932 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.788 -5.251 1.823 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.595 -6.062 1.362 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.394 -4.904 3.102 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.193 -5.720 2.638 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.096 -5.140 3.504 1.00 0.00 C ATOM 541 OH TYR A 37 -1.702 -4.796 4.777 1.00 0.00 O ATOM 0 H TYR A 37 -2.546 -8.724 -0.075 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.137 -7.296 -0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.446 -6.346 -1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.901 -5.388 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.805 -5.065 1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.885 -6.514 0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.099 -4.450 3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.178 -5.906 2.956 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.758 -5.029 4.902 1.00 0.00 H new ATOM 551 N TRP A 38 -5.114 -9.001 -2.166 1.00 0.00 N ATOM 552 CA TRP A 38 -5.426 -9.486 -3.505 1.00 0.00 C ATOM 553 C TRP A 38 -6.634 -8.754 -4.082 1.00 0.00 C ATOM 554 O TRP A 38 -6.747 -8.583 -5.295 1.00 0.00 O ATOM 555 CB TRP A 38 -5.693 -10.992 -3.474 1.00 0.00 C ATOM 556 CG TRP A 38 -6.911 -11.363 -2.683 1.00 0.00 C ATOM 557 CD1 TRP A 38 -6.940 -11.921 -1.437 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.275 -11.205 -3.086 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.241 -12.119 -1.041 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.079 -11.687 -2.034 1.00 0.00 C ATOM 561 CE3 TRP A 38 -8.898 -10.702 -4.232 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.470 -11.681 -2.098 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.278 -10.696 -4.293 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.052 -11.182 -3.231 1.00 0.00 C ATOM 0 H TRP A 38 -5.461 -9.593 -1.411 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.566 -9.289 -4.146 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.808 -11.355 -4.496 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.826 -11.499 -3.051 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.069 -12.170 -0.849 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.535 -12.522 -0.151 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.310 -10.324 -5.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.069 -12.057 -1.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.769 -10.310 -5.174 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.129 -11.162 -3.308 1.00 0.00 H new ATOM 575 N PHE A 39 -7.534 -8.324 -3.204 1.00 0.00 N ATOM 576 CA PHE A 39 -8.734 -7.612 -3.626 1.00 0.00 C ATOM 577 C PHE A 39 -8.371 -6.325 -4.363 1.00 0.00 C ATOM 578 O PHE A 39 -9.108 -5.868 -5.239 1.00 0.00 O ATOM 579 CB PHE A 39 -9.615 -7.290 -2.418 1.00 0.00 C ATOM 580 CG PHE A 39 -8.877 -6.599 -1.306 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.698 -5.225 -1.324 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.362 -7.324 -0.242 1.00 0.00 C ATOM 583 CE1 PHE A 39 -8.020 -4.587 -0.303 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.685 -6.691 0.781 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.512 -5.321 0.751 1.00 0.00 C ATOM 0 H PHE A 39 -7.455 -8.456 -2.196 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.288 -8.257 -4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.444 -6.660 -2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.048 -8.215 -2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.093 -4.646 -2.146 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.492 -8.396 -0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.887 -3.515 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.291 -7.267 1.605 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.981 -4.825 1.550 1.00 0.00 H new ATOM 595 N LEU A 40 -7.232 -5.745 -4.001 1.00 0.00 N ATOM 596 CA LEU A 40 -6.770 -4.510 -4.627 1.00 0.00 C ATOM 597 C LEU A 40 -7.072 -4.511 -6.122 1.00 0.00 C ATOM 598 O LEU A 40 -7.653 -3.562 -6.648 1.00 0.00 O ATOM 599 CB LEU A 40 -5.269 -4.331 -4.398 1.00 0.00 C ATOM 600 CG LEU A 40 -4.866 -3.636 -3.096 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.371 -3.779 -2.855 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.265 -2.168 -3.129 1.00 0.00 C ATOM 0 H LEU A 40 -6.612 -6.109 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.303 -3.677 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.798 -5.314 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.860 -3.761 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.393 -4.116 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.103 -3.278 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.113 -4.836 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.824 -3.325 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.971 -1.690 -2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.766 -1.674 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.345 -2.087 -3.253 1.00 0.00 H new ATOM 614 N SER A 41 -6.675 -5.583 -6.800 1.00 0.00 N ATOM 615 CA SER A 41 -6.901 -5.707 -8.235 1.00 0.00 C ATOM 616 C SER A 41 -8.390 -5.836 -8.541 1.00 0.00 C ATOM 617 O SER A 41 -8.891 -5.253 -9.503 1.00 0.00 O ATOM 618 CB SER A 41 -6.148 -6.918 -8.789 1.00 0.00 C ATOM 619 OG SER A 41 -4.775 -6.622 -8.977 1.00 0.00 O ATOM 0 H SER A 41 -6.195 -6.378 -6.378 1.00 0.00 H new ATOM 0 HA SER A 41 -6.526 -4.804 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.251 -7.759 -8.104 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.591 -7.223 -9.737 1.00 0.00 H new ATOM 0 HG SER A 41 -4.315 -7.412 -9.330 1.00 0.00 H new ATOM 625 N ASP A 42 -9.093 -6.605 -7.716 1.00 0.00 N ATOM 626 CA ASP A 42 -10.525 -6.811 -7.896 1.00 0.00 C ATOM 627 C ASP A 42 -11.316 -5.617 -7.370 1.00 0.00 C ATOM 628 O ASP A 42 -11.229 -5.274 -6.191 1.00 0.00 O ATOM 629 CB ASP A 42 -10.971 -8.089 -7.183 1.00 0.00 C ATOM 630 CG ASP A 42 -12.086 -8.803 -7.921 1.00 0.00 C ATOM 631 OD1 ASP A 42 -12.248 -8.558 -9.134 1.00 0.00 O ATOM 632 OD2 ASP A 42 -12.799 -9.608 -7.284 1.00 0.00 O ATOM 0 H ASP A 42 -8.694 -7.096 -6.916 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.722 -6.912 -8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.119 -8.761 -7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.306 -7.842 -6.176 1.00 0.00 H new ATOM 637 N GLU A 43 -12.086 -4.989 -8.252 1.00 0.00 N ATOM 638 CA GLU A 43 -12.891 -3.833 -7.876 1.00 0.00 C ATOM 639 C GLU A 43 -14.332 -4.244 -7.587 1.00 0.00 C ATOM 640 O GLU A 43 -15.042 -3.572 -6.839 1.00 0.00 O ATOM 641 CB GLU A 43 -12.864 -2.781 -8.987 1.00 0.00 C ATOM 642 CG GLU A 43 -14.079 -2.825 -9.898 1.00 0.00 C ATOM 643 CD GLU A 43 -13.830 -2.154 -11.234 1.00 0.00 C ATOM 644 OE1 GLU A 43 -12.771 -2.412 -11.843 1.00 0.00 O ATOM 645 OE2 GLU A 43 -14.698 -1.368 -11.673 1.00 0.00 O ATOM 0 H GLU A 43 -12.170 -5.261 -9.232 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.464 -3.405 -6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.794 -1.791 -8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.965 -2.922 -9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.366 -3.863 -10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.918 -2.338 -9.402 1.00 0.00 H new ATOM 652 N ASN A 44 -14.757 -5.353 -8.184 1.00 0.00 N ATOM 653 CA ASN A 44 -16.113 -5.854 -7.991 1.00 0.00 C ATOM 654 C ASN A 44 -16.200 -6.720 -6.738 1.00 0.00 C ATOM 655 O ASN A 44 -16.897 -7.734 -6.721 1.00 0.00 O ATOM 656 CB ASN A 44 -16.560 -6.658 -9.214 1.00 0.00 C ATOM 657 CG ASN A 44 -17.884 -6.174 -9.773 1.00 0.00 C ATOM 658 OD1 ASN A 44 -18.870 -6.052 -9.045 1.00 0.00 O ATOM 659 ND2 ASN A 44 -17.911 -5.895 -11.071 1.00 0.00 N ATOM 0 H ASN A 44 -14.182 -5.922 -8.805 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.776 -4.998 -7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -15.796 -6.591 -9.988 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -16.647 -7.710 -8.942 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -18.773 -5.565 -11.504 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -17.069 -6.011 -11.635 1.00 0.00 H new ATOM 666 N SER A 45 -15.488 -6.312 -5.693 1.00 0.00 N ATOM 667 CA SER A 45 -15.482 -7.052 -4.436 1.00 0.00 C ATOM 668 C SER A 45 -15.803 -6.131 -3.262 1.00 0.00 C ATOM 669 O SER A 45 -16.101 -4.951 -3.447 1.00 0.00 O ATOM 670 CB SER A 45 -14.123 -7.720 -4.220 1.00 0.00 C ATOM 671 OG SER A 45 -13.086 -6.756 -4.156 1.00 0.00 O ATOM 0 H SER A 45 -14.908 -5.473 -5.691 1.00 0.00 H new ATOM 0 HA SER A 45 -16.252 -7.822 -4.492 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.142 -8.300 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.924 -8.419 -5.032 1.00 0.00 H new ATOM 0 HG SER A 45 -12.785 -6.539 -5.063 1.00 0.00 H new ATOM 677 N LEU A 46 -15.740 -6.681 -2.055 1.00 0.00 N ATOM 678 CA LEU A 46 -16.023 -5.911 -0.849 1.00 0.00 C ATOM 679 C LEU A 46 -14.738 -5.353 -0.244 1.00 0.00 C ATOM 680 O LEU A 46 -14.662 -4.173 0.093 1.00 0.00 O ATOM 681 CB LEU A 46 -16.746 -6.783 0.179 1.00 0.00 C ATOM 682 CG LEU A 46 -16.506 -6.430 1.647 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.184 -7.008 2.126 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.533 -4.921 1.844 1.00 0.00 C ATOM 0 H LEU A 46 -15.496 -7.657 -1.885 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.666 -5.075 -1.125 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.817 -6.728 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.446 -7.819 0.022 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.307 -6.869 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.031 -6.746 3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.202 -8.093 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.370 -6.600 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.360 -4.688 2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.753 -4.461 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.505 -4.532 1.541 1.00 0.00 H new ATOM 696 N GLU A 47 -13.731 -6.211 -0.112 1.00 0.00 N ATOM 697 CA GLU A 47 -12.449 -5.802 0.450 1.00 0.00 C ATOM 698 C GLU A 47 -11.881 -4.604 -0.306 1.00 0.00 C ATOM 699 O GLU A 47 -11.136 -3.800 0.254 1.00 0.00 O ATOM 700 CB GLU A 47 -11.455 -6.965 0.408 1.00 0.00 C ATOM 701 CG GLU A 47 -11.903 -8.178 1.205 1.00 0.00 C ATOM 702 CD GLU A 47 -10.778 -8.794 2.012 1.00 0.00 C ATOM 703 OE1 GLU A 47 -9.755 -9.180 1.406 1.00 0.00 O ATOM 704 OE2 GLU A 47 -10.918 -8.891 3.249 1.00 0.00 O ATOM 0 H GLU A 47 -13.778 -7.192 -0.386 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.612 -5.510 1.488 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.298 -7.260 -0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.493 -6.624 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.711 -7.888 1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.308 -8.926 0.524 1.00 0.00 H new ATOM 711 N TYR A 48 -12.238 -4.493 -1.581 1.00 0.00 N ATOM 712 CA TYR A 48 -11.761 -3.396 -2.415 1.00 0.00 C ATOM 713 C TYR A 48 -12.644 -2.163 -2.248 1.00 0.00 C ATOM 714 O TYR A 48 -12.199 -1.034 -2.459 1.00 0.00 O ATOM 715 CB TYR A 48 -11.731 -3.821 -3.884 1.00 0.00 C ATOM 716 CG TYR A 48 -11.411 -2.690 -4.835 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.400 -1.812 -5.259 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.119 -2.499 -5.308 1.00 0.00 C ATOM 719 CE1 TYR A 48 -12.112 -0.777 -6.128 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.821 -1.468 -6.177 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.821 -0.609 -6.584 1.00 0.00 C ATOM 722 OH TYR A 48 -10.530 0.421 -7.449 1.00 0.00 O ATOM 0 H TYR A 48 -12.856 -5.149 -2.059 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.750 -3.143 -2.097 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.991 -4.611 -4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.699 -4.246 -4.150 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.412 -1.940 -4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.334 -3.169 -4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.893 -0.103 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.811 -1.335 -6.536 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.576 0.400 -7.673 1.00 0.00 H new ATOM 732 N LYS A 49 -13.897 -2.387 -1.869 1.00 0.00 N ATOM 733 CA LYS A 49 -14.844 -1.296 -1.672 1.00 0.00 C ATOM 734 C LYS A 49 -14.406 -0.398 -0.520 1.00 0.00 C ATOM 735 O LYS A 49 -14.812 0.762 -0.435 1.00 0.00 O ATOM 736 CB LYS A 49 -16.243 -1.852 -1.396 1.00 0.00 C ATOM 737 CG LYS A 49 -17.202 -1.692 -2.564 1.00 0.00 C ATOM 738 CD LYS A 49 -18.122 -2.893 -2.697 1.00 0.00 C ATOM 739 CE LYS A 49 -18.349 -3.262 -4.156 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.368 -2.386 -4.797 1.00 0.00 N ATOM 0 H LYS A 49 -14.281 -3.315 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.870 -0.700 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.162 -2.910 -1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.659 -1.349 -0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.798 -0.790 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.636 -1.562 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.691 -3.743 -2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.079 -2.674 -2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.408 -3.184 -4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.670 -4.301 -4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.494 -2.669 -5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.273 -2.479 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.050 -1.397 -4.757 1.00 0.00 H new ATOM 754 N TYR A 50 -13.575 -0.939 0.365 1.00 0.00 N ATOM 755 CA TYR A 50 -13.083 -0.186 1.513 1.00 0.00 C ATOM 756 C TYR A 50 -11.825 0.598 1.150 1.00 0.00 C ATOM 757 O TYR A 50 -11.791 1.824 1.262 1.00 0.00 O ATOM 758 CB TYR A 50 -12.791 -1.130 2.680 1.00 0.00 C ATOM 759 CG TYR A 50 -14.026 -1.542 3.450 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.166 -1.980 2.787 1.00 0.00 C ATOM 761 CD2 TYR A 50 -14.052 -1.492 4.837 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.297 -2.357 3.486 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.178 -1.869 5.544 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.298 -2.300 4.863 1.00 0.00 C ATOM 765 OH TYR A 50 -17.422 -2.675 5.564 1.00 0.00 O ATOM 0 H TYR A 50 -13.228 -1.897 0.309 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.857 0.521 1.812 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.296 -2.023 2.299 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.093 -0.645 3.362 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.168 -2.027 1.708 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.178 -1.153 5.373 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.175 -2.694 2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.181 -1.827 6.623 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.256 -2.577 6.525 1.00 0.00 H new ATOM 775 N TYR A 51 -10.794 -0.118 0.717 1.00 0.00 N ATOM 776 CA TYR A 51 -9.533 0.510 0.339 1.00 0.00 C ATOM 777 C TYR A 51 -9.777 1.780 -0.469 1.00 0.00 C ATOM 778 O TYR A 51 -9.017 2.745 -0.376 1.00 0.00 O ATOM 779 CB TYR A 51 -8.677 -0.466 -0.470 1.00 0.00 C ATOM 780 CG TYR A 51 -7.430 0.162 -1.052 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.343 0.473 -0.244 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.339 0.445 -2.408 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.203 1.048 -0.770 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.203 1.018 -2.944 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.137 1.318 -2.121 1.00 0.00 C ATOM 786 OH TYR A 51 -4.003 1.890 -2.651 1.00 0.00 O ATOM 0 H TYR A 51 -10.806 -1.133 0.619 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.002 0.779 1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.389 -1.300 0.170 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.278 -0.878 -1.280 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.391 0.261 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.172 0.213 -3.055 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.368 1.285 -0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.149 1.230 -4.002 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.119 2.013 -3.616 1.00 0.00 H new ATOM 796 N LYS A 52 -10.844 1.775 -1.260 1.00 0.00 N ATOM 797 CA LYS A 52 -11.192 2.927 -2.084 1.00 0.00 C ATOM 798 C LYS A 52 -12.107 3.882 -1.325 1.00 0.00 C ATOM 799 O LYS A 52 -11.961 5.101 -1.415 1.00 0.00 O ATOM 800 CB LYS A 52 -11.874 2.468 -3.376 1.00 0.00 C ATOM 801 CG LYS A 52 -10.911 1.896 -4.401 1.00 0.00 C ATOM 802 CD LYS A 52 -9.972 2.962 -4.941 1.00 0.00 C ATOM 803 CE LYS A 52 -10.387 3.419 -6.331 1.00 0.00 C ATOM 804 NZ LYS A 52 -10.185 4.882 -6.518 1.00 0.00 N ATOM 0 H LYS A 52 -11.484 0.985 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.272 3.455 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.623 1.714 -3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.403 3.313 -3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.329 1.094 -3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.474 1.455 -5.224 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.962 3.816 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.956 2.570 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.811 2.874 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.436 3.173 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.480 5.153 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.754 5.403 -5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.180 5.113 -6.386 1.00 0.00 H new ATOM 818 N LEU A 53 -13.050 3.321 -0.576 1.00 0.00 N ATOM 819 CA LEU A 53 -13.989 4.123 0.201 1.00 0.00 C ATOM 820 C LEU A 53 -13.286 4.801 1.372 1.00 0.00 C ATOM 821 O LEU A 53 -13.079 6.015 1.369 1.00 0.00 O ATOM 822 CB LEU A 53 -15.134 3.249 0.715 1.00 0.00 C ATOM 823 CG LEU A 53 -16.000 3.858 1.818 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.522 3.399 3.187 1.00 0.00 C ATOM 825 CD2 LEU A 53 -15.988 5.377 1.729 1.00 0.00 C ATOM 0 H LEU A 53 -13.185 2.314 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.396 4.896 -0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.778 2.997 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.713 2.314 1.086 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.025 3.514 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.150 3.843 3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.584 2.313 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.489 3.712 3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.610 5.793 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.966 5.740 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.379 5.688 0.760 1.00 0.00 H new ATOM 837 N LYS A 54 -12.918 4.009 2.374 1.00 0.00 N ATOM 838 CA LYS A 54 -12.235 4.530 3.551 1.00 0.00 C ATOM 839 C LYS A 54 -11.210 5.591 3.161 1.00 0.00 C ATOM 840 O LYS A 54 -11.046 6.596 3.855 1.00 0.00 O ATOM 841 CB LYS A 54 -11.544 3.394 4.310 1.00 0.00 C ATOM 842 CG LYS A 54 -11.448 3.634 5.807 1.00 0.00 C ATOM 843 CD LYS A 54 -12.738 3.256 6.517 1.00 0.00 C ATOM 844 CE LYS A 54 -12.668 3.570 8.003 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.128 2.422 8.834 1.00 0.00 N ATOM 0 H LYS A 54 -13.082 3.002 2.394 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.981 4.991 4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.088 2.466 4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.540 3.257 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.622 3.053 6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.223 4.684 5.994 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.573 3.795 6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.933 2.193 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.643 3.826 8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.282 4.444 8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.593 2.403 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.142 2.527 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.970 1.534 8.317 1.00 0.00 H new ATOM 859 N LEU A 55 -10.525 5.362 2.047 1.00 0.00 N ATOM 860 CA LEU A 55 -9.517 6.300 1.562 1.00 0.00 C ATOM 861 C LEU A 55 -10.150 7.637 1.194 1.00 0.00 C ATOM 862 O LEU A 55 -9.598 8.698 1.486 1.00 0.00 O ATOM 863 CB LEU A 55 -8.789 5.716 0.350 1.00 0.00 C ATOM 864 CG LEU A 55 -7.487 6.410 -0.050 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.423 6.204 1.017 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.001 5.897 -1.398 1.00 0.00 C ATOM 0 H LEU A 55 -10.648 4.536 1.462 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.798 6.468 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.571 4.668 0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.467 5.741 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.680 7.479 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.503 6.705 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.770 6.621 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.232 5.138 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.073 6.402 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.825 4.823 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.756 6.098 -2.158 1.00 0.00 H new ATOM 878 N ALA A 56 -11.312 7.579 0.552 1.00 0.00 N ATOM 879 CA ALA A 56 -12.023 8.786 0.147 1.00 0.00 C ATOM 880 C ALA A 56 -12.441 9.609 1.362 1.00 0.00 C ATOM 881 O ALA A 56 -12.187 10.811 1.424 1.00 0.00 O ATOM 882 CB ALA A 56 -13.239 8.425 -0.693 1.00 0.00 C ATOM 0 H ALA A 56 -11.781 6.709 0.301 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.347 9.393 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.760 9.335 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.918 7.885 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.911 7.795 -0.109 1.00 0.00 H new ATOM 888 N GLU A 57 -13.085 8.954 2.323 1.00 0.00 N ATOM 889 CA GLU A 57 -13.540 9.627 3.533 1.00 0.00 C ATOM 890 C GLU A 57 -12.355 10.109 4.365 1.00 0.00 C ATOM 891 O GLU A 57 -12.389 11.198 4.939 1.00 0.00 O ATOM 892 CB GLU A 57 -14.414 8.689 4.367 1.00 0.00 C ATOM 893 CG GLU A 57 -13.765 7.345 4.653 1.00 0.00 C ATOM 894 CD GLU A 57 -14.544 6.523 5.662 1.00 0.00 C ATOM 895 OE1 GLU A 57 -15.684 6.123 5.346 1.00 0.00 O ATOM 896 OE2 GLU A 57 -14.013 6.281 6.766 1.00 0.00 O ATOM 0 H GLU A 57 -13.303 7.958 2.287 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.131 10.494 3.236 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.655 9.175 5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.356 8.524 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.677 6.783 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.753 7.506 5.025 1.00 0.00 H new ATOM 903 N MET A 58 -11.310 9.291 4.425 1.00 0.00 N ATOM 904 CA MET A 58 -10.114 9.635 5.186 1.00 0.00 C ATOM 905 C MET A 58 -9.356 10.779 4.520 1.00 0.00 C ATOM 906 O MET A 58 -8.840 11.668 5.195 1.00 0.00 O ATOM 907 CB MET A 58 -9.202 8.414 5.323 1.00 0.00 C ATOM 908 CG MET A 58 -9.661 7.428 6.384 1.00 0.00 C ATOM 909 SD MET A 58 -8.325 6.371 6.975 1.00 0.00 S ATOM 910 CE MET A 58 -7.324 7.559 7.867 1.00 0.00 C ATOM 0 H MET A 58 -11.267 8.386 3.956 1.00 0.00 H new ATOM 0 HA MET A 58 -10.426 9.959 6.179 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.148 7.902 4.362 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.193 8.750 5.563 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.084 7.977 7.225 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.458 6.806 5.976 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.316 7.571 7.451 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.767 8.551 7.774 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.279 7.279 8.920 1.00 0.00 H new ATOM 920 N GLN A 59 -9.291 10.747 3.193 1.00 0.00 N ATOM 921 CA GLN A 59 -8.595 11.781 2.437 1.00 0.00 C ATOM 922 C GLN A 59 -9.357 13.101 2.490 1.00 0.00 C ATOM 923 O GLN A 59 -8.765 14.164 2.676 1.00 0.00 O ATOM 924 CB GLN A 59 -8.411 11.343 0.983 1.00 0.00 C ATOM 925 CG GLN A 59 -7.139 10.545 0.744 1.00 0.00 C ATOM 926 CD GLN A 59 -6.254 11.162 -0.320 1.00 0.00 C ATOM 927 OE1 GLN A 59 -5.976 12.362 -0.293 1.00 0.00 O ATOM 928 NE2 GLN A 59 -5.804 10.344 -1.264 1.00 0.00 N ATOM 0 H GLN A 59 -9.712 10.016 2.619 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.615 11.930 2.891 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.269 10.742 0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.401 12.226 0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.581 10.471 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.402 9.529 0.448 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.059 9.357 -1.247 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.203 10.703 -2.006 1.00 0.00 H new ATOM 937 N ARG A 60 -10.674 13.026 2.325 1.00 0.00 N ATOM 938 CA ARG A 60 -11.516 14.215 2.353 1.00 0.00 C ATOM 939 C ARG A 60 -11.661 14.745 3.776 1.00 0.00 C ATOM 940 O ARG A 60 -11.767 15.952 3.992 1.00 0.00 O ATOM 941 CB ARG A 60 -12.896 13.903 1.770 1.00 0.00 C ATOM 942 CG ARG A 60 -13.927 13.515 2.818 1.00 0.00 C ATOM 943 CD ARG A 60 -15.303 13.322 2.202 1.00 0.00 C ATOM 944 NE ARG A 60 -16.369 13.448 3.192 1.00 0.00 N ATOM 945 CZ ARG A 60 -17.660 13.496 2.880 1.00 0.00 C ATOM 946 NH1 ARG A 60 -18.042 13.429 1.612 1.00 0.00 N ATOM 947 NH2 ARG A 60 -18.570 13.612 3.838 1.00 0.00 N ATOM 0 H ARG A 60 -11.180 12.154 2.171 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.038 14.983 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.256 14.775 1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.801 13.092 1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.616 12.594 3.312 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.976 14.288 3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.453 14.058 1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.356 12.338 1.735 1.00 0.00 H new ATOM 0 HE ARG A 60 -16.109 13.502 4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -17.344 13.340 0.873 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -19.033 13.466 1.375 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.279 13.664 4.814 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.561 13.649 3.598 1.00 0.00 H new ATOM 961 N SER A 61 -11.667 13.833 4.744 1.00 0.00 N ATOM 962 CA SER A 61 -11.805 14.208 6.146 1.00 0.00 C ATOM 963 C SER A 61 -10.878 15.370 6.492 1.00 0.00 C ATOM 964 O SER A 61 -9.691 15.349 6.165 1.00 0.00 O ATOM 965 CB SER A 61 -11.500 13.012 7.049 1.00 0.00 C ATOM 966 OG SER A 61 -12.692 12.440 7.559 1.00 0.00 O ATOM 0 H SER A 61 -11.578 12.830 4.582 1.00 0.00 H new ATOM 0 HA SER A 61 -12.835 14.525 6.311 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.944 12.261 6.488 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.863 13.329 7.875 1.00 0.00 H new ATOM 0 HG SER A 61 -13.052 11.800 6.910 1.00 0.00 H new ATOM 972 N GLY A 62 -11.429 16.382 7.154 1.00 0.00 N ATOM 973 CA GLY A 62 -10.638 17.539 7.532 1.00 0.00 C ATOM 974 C GLY A 62 -11.358 18.435 8.520 1.00 0.00 C ATOM 975 O GLY A 62 -11.663 19.593 8.231 1.00 0.00 O ATOM 0 H GLY A 62 -12.409 16.422 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.697 17.205 7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.390 18.113 6.639 1.00 0.00 H new ATOM 979 N PRO A 63 -11.642 17.898 9.716 1.00 0.00 N ATOM 980 CA PRO A 63 -12.335 18.640 10.772 1.00 0.00 C ATOM 981 C PRO A 63 -11.471 19.748 11.366 1.00 0.00 C ATOM 982 O PRO A 63 -10.285 19.857 11.055 1.00 0.00 O ATOM 983 CB PRO A 63 -12.629 17.568 11.825 1.00 0.00 C ATOM 984 CG PRO A 63 -11.585 16.528 11.605 1.00 0.00 C ATOM 985 CD PRO A 63 -11.307 16.524 10.128 1.00 0.00 C ATOM 0 HA PRO A 63 -13.226 19.145 10.398 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.574 17.978 12.834 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.631 17.156 11.702 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.682 16.756 12.171 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.932 15.550 11.939 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.265 16.283 9.915 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.918 15.787 9.606 1.00 0.00 H new ATOM 993 N SER A 64 -12.073 20.567 12.222 1.00 0.00 N ATOM 994 CA SER A 64 -11.358 21.669 12.857 1.00 0.00 C ATOM 995 C SER A 64 -10.501 22.417 11.841 1.00 0.00 C ATOM 996 O SER A 64 -9.349 22.755 12.114 1.00 0.00 O ATOM 997 CB SER A 64 -10.481 21.146 13.996 1.00 0.00 C ATOM 998 OG SER A 64 -10.726 21.858 15.196 1.00 0.00 O ATOM 0 H SER A 64 -13.053 20.489 12.492 1.00 0.00 H new ATOM 0 HA SER A 64 -12.095 22.362 13.264 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.677 20.085 14.152 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.430 21.239 13.722 1.00 0.00 H new ATOM 0 HG SER A 64 -10.155 21.504 15.909 1.00 0.00 H new ATOM 1004 N SER A 65 -11.072 22.671 10.667 1.00 0.00 N ATOM 1005 CA SER A 65 -10.359 23.377 9.609 1.00 0.00 C ATOM 1006 C SER A 65 -11.047 24.698 9.277 1.00 0.00 C ATOM 1007 O SER A 65 -12.131 24.989 9.780 1.00 0.00 O ATOM 1008 CB SER A 65 -10.275 22.504 8.354 1.00 0.00 C ATOM 1009 OG SER A 65 -9.016 21.860 8.266 1.00 0.00 O ATOM 0 H SER A 65 -12.025 22.399 10.425 1.00 0.00 H new ATOM 0 HA SER A 65 -9.351 23.592 9.964 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.069 21.757 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.436 23.118 7.468 1.00 0.00 H new ATOM 0 HG SER A 65 -8.987 21.307 7.457 1.00 0.00 H new ATOM 1015 N GLY A 66 -10.407 25.495 8.428 1.00 0.00 N ATOM 1016 CA GLY A 66 -10.970 26.775 8.043 1.00 0.00 C ATOM 1017 C GLY A 66 -10.496 27.231 6.677 1.00 0.00 C ATOM 1018 O GLY A 66 -10.463 28.428 6.391 1.00 0.00 O ATOM 0 H GLY A 66 -9.508 25.277 7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.058 26.704 8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.701 27.525 8.787 1.00 0.00 H new TER 1022 GLY A 66