USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 8 THR OG1 : rot 149:sc= 0.22 USER MOD Set 2.2: A 86 ASN : amide:sc= -3.38! C(o=-3.2!,f=-5.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 10:sc= 0.334 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 160:sc= -1.29 (180deg=-2.64!) USER MOD Single : A 33 HIS : no HD1:sc= -1.81! K(o=-1.8!,f=-0.56) USER MOD Single : A 42 TYR OH : rot 30:sc= -1.02 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 CYS SG : rot 64:sc= 0.183 USER MOD Single : A 51 THR OG1 : rot 135:sc= 0.207 USER MOD Single : A 58 ASN : amide:sc= 0.691 K(o=0.69,f=-3.5!) USER MOD Single : A 59 LYS NZ :NH3+ 147:sc= -0.232 (180deg=-1.51!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= -0.0218 (180deg=-0.217) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -164:sc= 0.00386 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -19.690 -2.610 -0.797 1.00 0.00 N ATOM 60 CA GLY A 7 -20.634 -1.662 -0.232 1.00 0.00 C ATOM 61 C GLY A 7 -19.965 -0.382 0.228 1.00 0.00 C ATOM 62 O GLY A 7 -20.602 0.669 0.304 1.00 0.00 O ATOM 0 HA2 GLY A 7 -21.394 -1.424 -0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.147 -2.124 0.612 1.00 0.00 H new ATOM 66 N THR A 8 -18.675 -0.469 0.539 1.00 0.00 N ATOM 67 CA THR A 8 -17.920 0.690 0.997 1.00 0.00 C ATOM 68 C THR A 8 -16.992 1.209 -0.095 1.00 0.00 C ATOM 69 O THR A 8 -16.729 0.518 -1.079 1.00 0.00 O ATOM 70 CB THR A 8 -17.085 0.358 2.249 1.00 0.00 C ATOM 71 OG1 THR A 8 -17.804 -0.551 3.090 1.00 0.00 O ATOM 72 CG2 THR A 8 -16.750 1.621 3.027 1.00 0.00 C ATOM 0 H THR A 8 -18.132 -1.330 0.482 1.00 0.00 H new ATOM 0 HA THR A 8 -18.648 1.461 1.248 1.00 0.00 H new ATOM 0 HB THR A 8 -16.154 -0.107 1.925 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.170 -1.123 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 8 -16.160 1.361 3.906 1.00 0.00 H new ATOM 0 HG22 THR A 8 -16.177 2.298 2.393 1.00 0.00 H new ATOM 0 HG23 THR A 8 -17.672 2.111 3.340 1.00 0.00 H new ATOM 80 N SER A 9 -16.497 2.429 0.085 1.00 0.00 N ATOM 81 CA SER A 9 -15.600 3.042 -0.888 1.00 0.00 C ATOM 82 C SER A 9 -14.154 2.635 -0.625 1.00 0.00 C ATOM 83 O SER A 9 -13.751 2.376 0.509 1.00 0.00 O ATOM 84 CB SER A 9 -15.729 4.566 -0.843 1.00 0.00 C ATOM 85 OG SER A 9 -16.935 4.994 -1.452 1.00 0.00 O ATOM 0 H SER A 9 -16.702 3.013 0.896 1.00 0.00 H new ATOM 0 HA SER A 9 -15.884 2.690 -1.880 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.700 4.906 0.192 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.879 5.021 -1.352 1.00 0.00 H new ATOM 0 HG SER A 9 -16.994 5.971 -1.409 1.00 0.00 H new ATOM 91 N PRO A 10 -13.352 2.576 -1.699 1.00 0.00 N ATOM 92 CA PRO A 10 -11.938 2.201 -1.611 1.00 0.00 C ATOM 93 C PRO A 10 -11.097 3.269 -0.920 1.00 0.00 C ATOM 94 O PRO A 10 -11.536 4.400 -0.710 1.00 0.00 O ATOM 95 CB PRO A 10 -11.518 2.055 -3.076 1.00 0.00 C ATOM 96 CG PRO A 10 -12.462 2.927 -3.829 1.00 0.00 C ATOM 97 CD PRO A 10 -13.765 2.871 -3.081 1.00 0.00 C ATOM 0 HA PRO A 10 -11.792 1.297 -1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.485 2.369 -3.225 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.587 1.019 -3.406 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.088 3.949 -3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.585 2.576 -4.853 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.307 3.815 -3.146 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.423 2.098 -3.478 1.00 0.00 H new ATOM 105 N PRO A 11 -9.858 2.905 -0.557 1.00 0.00 N ATOM 106 CA PRO A 11 -8.929 3.819 0.114 1.00 0.00 C ATOM 107 C PRO A 11 -8.439 4.929 -0.809 1.00 0.00 C ATOM 108 O PRO A 11 -7.954 4.667 -1.910 1.00 0.00 O ATOM 109 CB PRO A 11 -7.767 2.909 0.520 1.00 0.00 C ATOM 110 CG PRO A 11 -7.814 1.779 -0.450 1.00 0.00 C ATOM 111 CD PRO A 11 -9.268 1.574 -0.776 1.00 0.00 C ATOM 0 HA PRO A 11 -9.398 4.334 0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.814 3.436 0.468 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.880 2.556 1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.242 2.011 -1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.379 0.877 -0.020 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.406 1.238 -1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.722 0.822 -0.131 1.00 0.00 H new ATOM 119 N THR A 12 -8.566 6.171 -0.353 1.00 0.00 N ATOM 120 CA THR A 12 -8.137 7.322 -1.138 1.00 0.00 C ATOM 121 C THR A 12 -6.919 7.991 -0.511 1.00 0.00 C ATOM 122 O THR A 12 -6.368 7.502 0.476 1.00 0.00 O ATOM 123 CB THR A 12 -9.265 8.361 -1.276 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.626 8.867 0.015 1.00 0.00 O ATOM 125 CG2 THR A 12 -10.486 7.748 -1.945 1.00 0.00 C ATOM 0 H THR A 12 -8.963 6.406 0.557 1.00 0.00 H new ATOM 0 HA THR A 12 -7.875 6.949 -2.128 1.00 0.00 H new ATOM 0 HB THR A 12 -8.901 9.179 -1.898 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.343 9.528 -0.082 1.00 0.00 H new ATOM 0 HG21 THR A 12 -11.270 8.501 -2.032 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.215 7.390 -2.938 1.00 0.00 H new ATOM 0 HG23 THR A 12 -10.849 6.914 -1.345 1.00 0.00 H new ATOM 133 N LEU A 13 -6.503 9.112 -1.090 1.00 0.00 N ATOM 134 CA LEU A 13 -5.349 9.850 -0.587 1.00 0.00 C ATOM 135 C LEU A 13 -4.131 8.939 -0.465 1.00 0.00 C ATOM 136 O LEU A 13 -3.380 9.017 0.508 1.00 0.00 O ATOM 137 CB LEU A 13 -5.671 10.475 0.771 1.00 0.00 C ATOM 138 CG LEU A 13 -6.588 11.699 0.746 1.00 0.00 C ATOM 139 CD1 LEU A 13 -7.228 11.914 2.109 1.00 0.00 C ATOM 140 CD2 LEU A 13 -5.813 12.937 0.317 1.00 0.00 C ATOM 0 H LEU A 13 -6.947 9.530 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.117 10.642 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.132 9.713 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.734 10.758 1.250 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.381 11.521 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.877 12.789 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.817 11.037 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.450 12.071 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.481 13.798 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.000 13.119 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.403 12.782 -0.681 1.00 0.00 H new ATOM 152 N LEU A 14 -3.941 8.078 -1.458 1.00 0.00 N ATOM 153 CA LEU A 14 -2.812 7.154 -1.463 1.00 0.00 C ATOM 154 C LEU A 14 -1.548 7.841 -1.968 1.00 0.00 C ATOM 155 O LEU A 14 -1.448 8.198 -3.143 1.00 0.00 O ATOM 156 CB LEU A 14 -3.129 5.937 -2.335 1.00 0.00 C ATOM 157 CG LEU A 14 -2.173 4.751 -2.204 1.00 0.00 C ATOM 158 CD1 LEU A 14 -1.029 4.874 -3.198 1.00 0.00 C ATOM 159 CD2 LEU A 14 -1.638 4.652 -0.783 1.00 0.00 C ATOM 0 H LEU A 14 -4.554 8.000 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.639 6.825 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.136 5.595 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.141 6.255 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.725 3.838 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.359 4.021 -3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.429 4.895 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.478 5.795 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.959 3.802 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.103 5.567 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.468 4.515 -0.090 1.00 0.00 H new ATOM 171 N THR A 15 -0.581 8.022 -1.074 1.00 0.00 N ATOM 172 CA THR A 15 0.678 8.665 -1.429 1.00 0.00 C ATOM 173 C THR A 15 1.822 8.147 -0.565 1.00 0.00 C ATOM 174 O THR A 15 1.614 7.730 0.575 1.00 0.00 O ATOM 175 CB THR A 15 0.589 10.195 -1.280 1.00 0.00 C ATOM 176 OG1 THR A 15 -0.149 10.752 -2.373 1.00 0.00 O ATOM 177 CG2 THR A 15 1.977 10.816 -1.230 1.00 0.00 C ATOM 0 H THR A 15 -0.646 7.732 -0.098 1.00 0.00 H new ATOM 0 HA THR A 15 0.875 8.420 -2.473 1.00 0.00 H new ATOM 0 HB THR A 15 0.075 10.417 -0.345 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.565 10.030 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.888 11.897 -1.125 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.526 10.412 -0.379 1.00 0.00 H new ATOM 0 HG23 THR A 15 2.513 10.584 -2.150 1.00 0.00 H new ATOM 185 N VAL A 16 3.033 8.177 -1.113 1.00 0.00 N ATOM 186 CA VAL A 16 4.211 7.713 -0.392 1.00 0.00 C ATOM 187 C VAL A 16 4.632 8.716 0.676 1.00 0.00 C ATOM 188 O VAL A 16 4.948 9.866 0.372 1.00 0.00 O ATOM 189 CB VAL A 16 5.395 7.469 -1.347 1.00 0.00 C ATOM 190 CG1 VAL A 16 6.451 6.602 -0.679 1.00 0.00 C ATOM 191 CG2 VAL A 16 4.912 6.833 -2.642 1.00 0.00 C ATOM 0 H VAL A 16 3.223 8.518 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 16 3.939 6.771 0.085 1.00 0.00 H new ATOM 0 HB VAL A 16 5.849 8.430 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.279 6.441 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.818 7.101 0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.014 5.642 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.761 6.668 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.432 5.879 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.196 7.496 -3.128 1.00 0.00 H new ATOM 201 N ASP A 17 4.634 8.272 1.928 1.00 0.00 N ATOM 202 CA ASP A 17 5.018 9.130 3.043 1.00 0.00 C ATOM 203 C ASP A 17 6.535 9.276 3.119 1.00 0.00 C ATOM 204 O ASP A 17 7.058 10.387 3.211 1.00 0.00 O ATOM 205 CB ASP A 17 4.482 8.564 4.359 1.00 0.00 C ATOM 206 CG ASP A 17 4.566 9.563 5.496 1.00 0.00 C ATOM 207 OD1 ASP A 17 5.335 10.539 5.373 1.00 0.00 O ATOM 208 OD2 ASP A 17 3.861 9.370 6.508 1.00 0.00 O ATOM 0 H ASP A 17 4.374 7.323 2.196 1.00 0.00 H new ATOM 0 HA ASP A 17 4.583 10.116 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.445 8.258 4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.046 7.669 4.623 1.00 0.00 H new ATOM 213 N SER A 18 7.236 8.147 3.081 1.00 0.00 N ATOM 214 CA SER A 18 8.692 8.149 3.151 1.00 0.00 C ATOM 215 C SER A 18 9.275 6.980 2.364 1.00 0.00 C ATOM 216 O SER A 18 8.574 6.019 2.046 1.00 0.00 O ATOM 217 CB SER A 18 9.155 8.079 4.608 1.00 0.00 C ATOM 218 OG SER A 18 10.421 8.694 4.771 1.00 0.00 O ATOM 0 H SER A 18 6.819 7.220 3.002 1.00 0.00 H new ATOM 0 HA SER A 18 9.051 9.078 2.708 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.423 8.570 5.249 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.209 7.038 4.926 1.00 0.00 H new ATOM 0 HG SER A 18 10.694 8.638 5.711 1.00 0.00 H new ATOM 224 N VAL A 19 10.564 7.068 2.052 1.00 0.00 N ATOM 225 CA VAL A 19 11.244 6.018 1.303 1.00 0.00 C ATOM 226 C VAL A 19 12.683 5.849 1.776 1.00 0.00 C ATOM 227 O VAL A 19 13.472 6.795 1.753 1.00 0.00 O ATOM 228 CB VAL A 19 11.243 6.316 -0.208 1.00 0.00 C ATOM 229 CG1 VAL A 19 12.025 5.252 -0.963 1.00 0.00 C ATOM 230 CG2 VAL A 19 9.818 6.413 -0.731 1.00 0.00 C ATOM 0 H VAL A 19 11.159 7.856 2.307 1.00 0.00 H new ATOM 0 HA VAL A 19 10.695 5.094 1.484 1.00 0.00 H new ATOM 0 HB VAL A 19 11.732 7.276 -0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.013 5.479 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.055 5.236 -0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 19 11.568 4.277 -0.795 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.836 6.624 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.301 5.469 -0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.294 7.215 -0.212 1.00 0.00 H new ATOM 240 N THR A 20 13.021 4.637 2.204 1.00 0.00 N ATOM 241 CA THR A 20 14.366 4.343 2.683 1.00 0.00 C ATOM 242 C THR A 20 15.019 3.246 1.850 1.00 0.00 C ATOM 243 O THR A 20 14.352 2.312 1.403 1.00 0.00 O ATOM 244 CB THR A 20 14.353 3.910 4.162 1.00 0.00 C ATOM 245 OG1 THR A 20 13.575 4.830 4.935 1.00 0.00 O ATOM 246 CG2 THR A 20 15.767 3.842 4.718 1.00 0.00 C ATOM 0 H THR A 20 12.382 3.843 2.229 1.00 0.00 H new ATOM 0 HA THR A 20 14.944 5.262 2.586 1.00 0.00 H new ATOM 0 HB THR A 20 13.907 2.917 4.223 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.570 4.547 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 20 15.733 3.534 5.763 1.00 0.00 H new ATOM 0 HG22 THR A 20 16.349 3.119 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 20 16.235 4.824 4.644 1.00 0.00 H new ATOM 254 N ASP A 21 16.326 3.364 1.645 1.00 0.00 N ATOM 255 CA ASP A 21 17.070 2.381 0.866 1.00 0.00 C ATOM 256 C ASP A 21 16.866 0.977 1.427 1.00 0.00 C ATOM 257 O ASP A 21 17.128 -0.018 0.750 1.00 0.00 O ATOM 258 CB ASP A 21 18.559 2.729 0.856 1.00 0.00 C ATOM 259 CG ASP A 21 18.928 3.663 -0.279 1.00 0.00 C ATOM 260 OD1 ASP A 21 18.283 3.583 -1.346 1.00 0.00 O ATOM 261 OD2 ASP A 21 19.863 4.473 -0.102 1.00 0.00 O ATOM 0 H ASP A 21 16.893 4.131 2.008 1.00 0.00 H new ATOM 0 HA ASP A 21 16.693 2.402 -0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.827 3.192 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.143 1.812 0.773 1.00 0.00 H new ATOM 266 N THR A 22 16.399 0.903 2.669 1.00 0.00 N ATOM 267 CA THR A 22 16.162 -0.378 3.322 1.00 0.00 C ATOM 268 C THR A 22 14.699 -0.791 3.210 1.00 0.00 C ATOM 269 O THR A 22 14.388 -1.916 2.819 1.00 0.00 O ATOM 270 CB THR A 22 16.558 -0.333 4.810 1.00 0.00 C ATOM 271 OG1 THR A 22 17.700 0.514 4.987 1.00 0.00 O ATOM 272 CG2 THR A 22 16.869 -1.728 5.330 1.00 0.00 C ATOM 0 H THR A 22 16.177 1.716 3.243 1.00 0.00 H new ATOM 0 HA THR A 22 16.784 -1.112 2.810 1.00 0.00 H new ATOM 0 HB THR A 22 15.717 0.068 5.375 1.00 0.00 H new ATOM 0 HG1 THR A 22 17.945 0.539 5.936 1.00 0.00 H new ATOM 0 HG21 THR A 22 17.146 -1.671 6.383 1.00 0.00 H new ATOM 0 HG22 THR A 22 15.989 -2.362 5.220 1.00 0.00 H new ATOM 0 HG23 THR A 22 17.695 -2.153 4.760 1.00 0.00 H new ATOM 280 N THR A 23 13.802 0.128 3.554 1.00 0.00 N ATOM 281 CA THR A 23 12.370 -0.140 3.493 1.00 0.00 C ATOM 282 C THR A 23 11.599 1.093 3.038 1.00 0.00 C ATOM 283 O THR A 23 12.140 2.199 3.004 1.00 0.00 O ATOM 284 CB THR A 23 11.825 -0.598 4.859 1.00 0.00 C ATOM 285 OG1 THR A 23 11.755 0.515 5.756 1.00 0.00 O ATOM 286 CG2 THR A 23 12.707 -1.684 5.457 1.00 0.00 C ATOM 0 H THR A 23 14.042 1.065 3.878 1.00 0.00 H new ATOM 0 HA THR A 23 12.229 -0.941 2.767 1.00 0.00 H new ATOM 0 HB THR A 23 10.826 -1.006 4.709 1.00 0.00 H new ATOM 0 HG1 THR A 23 11.406 0.216 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.302 -1.991 6.421 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.734 -2.542 4.785 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.717 -1.298 5.594 1.00 0.00 H new ATOM 294 N VAL A 24 10.331 0.898 2.690 1.00 0.00 N ATOM 295 CA VAL A 24 9.484 1.995 2.239 1.00 0.00 C ATOM 296 C VAL A 24 8.311 2.211 3.189 1.00 0.00 C ATOM 297 O VAL A 24 7.976 1.336 3.989 1.00 0.00 O ATOM 298 CB VAL A 24 8.941 1.739 0.820 1.00 0.00 C ATOM 299 CG1 VAL A 24 10.069 1.780 -0.199 1.00 0.00 C ATOM 300 CG2 VAL A 24 8.208 0.407 0.763 1.00 0.00 C ATOM 0 H VAL A 24 9.868 -0.010 2.712 1.00 0.00 H new ATOM 0 HA VAL A 24 10.106 2.890 2.226 1.00 0.00 H new ATOM 0 HB VAL A 24 8.232 2.529 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.666 1.597 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.546 2.760 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.805 1.012 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.831 0.242 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.893 -0.397 1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.374 0.421 1.464 1.00 0.00 H new ATOM 310 N THR A 25 7.688 3.381 3.096 1.00 0.00 N ATOM 311 CA THR A 25 6.553 3.713 3.947 1.00 0.00 C ATOM 312 C THR A 25 5.408 4.304 3.132 1.00 0.00 C ATOM 313 O THR A 25 5.540 5.380 2.549 1.00 0.00 O ATOM 314 CB THR A 25 6.951 4.711 5.051 1.00 0.00 C ATOM 315 OG1 THR A 25 8.158 4.279 5.689 1.00 0.00 O ATOM 316 CG2 THR A 25 5.843 4.843 6.085 1.00 0.00 C ATOM 0 H THR A 25 7.951 4.115 2.439 1.00 0.00 H new ATOM 0 HA THR A 25 6.223 2.783 4.410 1.00 0.00 H new ATOM 0 HB THR A 25 7.113 5.685 4.590 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.406 4.919 6.388 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.146 5.553 6.855 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.934 5.199 5.601 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.654 3.871 6.542 1.00 0.00 H new ATOM 324 N MET A 26 4.285 3.594 3.095 1.00 0.00 N ATOM 325 CA MET A 26 3.117 4.051 2.352 1.00 0.00 C ATOM 326 C MET A 26 1.985 4.434 3.300 1.00 0.00 C ATOM 327 O MET A 26 1.553 3.626 4.124 1.00 0.00 O ATOM 328 CB MET A 26 2.643 2.964 1.386 1.00 0.00 C ATOM 329 CG MET A 26 3.572 2.757 0.201 1.00 0.00 C ATOM 330 SD MET A 26 3.847 4.272 -0.739 1.00 0.00 S ATOM 331 CE MET A 26 2.549 4.149 -1.967 1.00 0.00 C ATOM 0 H MET A 26 4.160 2.700 3.571 1.00 0.00 H new ATOM 0 HA MET A 26 3.404 4.934 1.781 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.545 2.024 1.929 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.650 3.224 1.018 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.529 2.376 0.557 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.151 1.997 -0.457 1.00 0.00 H new ATOM 0 HE1 MET A 26 2.351 5.135 -2.387 1.00 0.00 H new ATOM 0 HE2 MET A 26 2.863 3.472 -2.762 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.642 3.765 -1.500 1.00 0.00 H new ATOM 341 N ARG A 27 1.509 5.668 3.179 1.00 0.00 N ATOM 342 CA ARG A 27 0.428 6.157 4.026 1.00 0.00 C ATOM 343 C ARG A 27 -0.860 6.323 3.224 1.00 0.00 C ATOM 344 O ARG A 27 -0.825 6.525 2.011 1.00 0.00 O ATOM 345 CB ARG A 27 0.817 7.490 4.667 1.00 0.00 C ATOM 346 CG ARG A 27 0.801 8.660 3.697 1.00 0.00 C ATOM 347 CD ARG A 27 0.510 9.971 4.410 1.00 0.00 C ATOM 348 NE ARG A 27 1.450 10.223 5.499 1.00 0.00 N ATOM 349 CZ ARG A 27 1.587 11.403 6.093 1.00 0.00 C ATOM 350 NH1 ARG A 27 0.848 12.434 5.706 1.00 0.00 N ATOM 351 NH2 ARG A 27 2.464 11.554 7.077 1.00 0.00 N ATOM 0 H ARG A 27 1.855 6.348 2.502 1.00 0.00 H new ATOM 0 HA ARG A 27 0.254 5.421 4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.133 7.701 5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.814 7.399 5.097 1.00 0.00 H new ATOM 0 HG2 ARG A 27 1.763 8.726 3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.047 8.487 2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.557 10.791 3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.506 9.951 4.805 1.00 0.00 H new ATOM 0 HE ARG A 27 2.033 9.451 5.821 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.172 12.322 4.950 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.955 13.339 6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.034 10.763 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.568 12.461 7.532 1.00 0.00 H new ATOM 365 N TRP A 28 -1.993 6.235 3.911 1.00 0.00 N ATOM 366 CA TRP A 28 -3.292 6.375 3.262 1.00 0.00 C ATOM 367 C TRP A 28 -4.374 6.719 4.279 1.00 0.00 C ATOM 368 O TRP A 28 -4.139 6.679 5.487 1.00 0.00 O ATOM 369 CB TRP A 28 -3.659 5.085 2.526 1.00 0.00 C ATOM 370 CG TRP A 28 -3.945 3.937 3.445 1.00 0.00 C ATOM 371 CD1 TRP A 28 -5.099 3.712 4.140 1.00 0.00 C ATOM 372 CD2 TRP A 28 -3.062 2.859 3.771 1.00 0.00 C ATOM 373 NE1 TRP A 28 -4.986 2.559 4.879 1.00 0.00 N ATOM 374 CE2 TRP A 28 -3.746 2.016 4.669 1.00 0.00 C ATOM 375 CE3 TRP A 28 -1.760 2.522 3.391 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -3.171 0.861 5.191 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -1.190 1.375 3.910 1.00 0.00 C ATOM 378 CH2 TRP A 28 -1.895 0.555 4.802 1.00 0.00 C ATOM 0 H TRP A 28 -2.039 6.068 4.916 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.224 7.190 2.541 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -4.534 5.268 1.902 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.842 4.811 1.858 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.972 4.347 4.113 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.708 2.171 5.486 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.209 3.147 2.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.713 0.229 5.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.184 1.106 3.623 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.422 -0.335 5.190 1.00 0.00 H new ATOM 389 N ARG A 29 -5.560 7.058 3.783 1.00 0.00 N ATOM 390 CA ARG A 29 -6.678 7.410 4.650 1.00 0.00 C ATOM 391 C ARG A 29 -7.902 6.556 4.334 1.00 0.00 C ATOM 392 O ARG A 29 -8.045 6.015 3.237 1.00 0.00 O ATOM 393 CB ARG A 29 -7.024 8.892 4.495 1.00 0.00 C ATOM 394 CG ARG A 29 -6.172 9.810 5.356 1.00 0.00 C ATOM 395 CD ARG A 29 -6.893 11.114 5.662 1.00 0.00 C ATOM 396 NE ARG A 29 -5.960 12.200 5.952 1.00 0.00 N ATOM 397 CZ ARG A 29 -6.342 13.440 6.238 1.00 0.00 C ATOM 398 NH1 ARG A 29 -7.631 13.749 6.272 1.00 0.00 N ATOM 399 NH2 ARG A 29 -5.434 14.373 6.490 1.00 0.00 N ATOM 0 H ARG A 29 -5.771 7.096 2.786 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.379 7.219 5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.907 9.176 3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.073 9.040 4.750 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.919 9.305 6.288 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.233 10.023 4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.518 11.390 4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.557 10.970 6.514 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.961 11.995 5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.332 13.034 6.078 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.921 14.702 6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.442 14.139 6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.728 15.325 6.709 1.00 0.00 H new ATOM 413 N PRO A 30 -8.805 6.429 5.317 1.00 0.00 N ATOM 414 CA PRO A 30 -10.033 5.641 5.167 1.00 0.00 C ATOM 415 C PRO A 30 -11.024 6.289 4.206 1.00 0.00 C ATOM 416 O PRO A 30 -10.904 7.461 3.849 1.00 0.00 O ATOM 417 CB PRO A 30 -10.607 5.606 6.585 1.00 0.00 C ATOM 418 CG PRO A 30 -10.063 6.827 7.244 1.00 0.00 C ATOM 419 CD PRO A 30 -8.699 7.045 6.650 1.00 0.00 C ATOM 0 HA PRO A 30 -9.836 4.654 4.748 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.697 5.616 6.571 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.303 4.702 7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.708 7.687 7.066 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.002 6.693 8.324 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.454 8.105 6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.920 6.574 7.249 1.00 0.00 H new ATOM 427 N PRO A 31 -12.028 5.510 3.777 1.00 0.00 N ATOM 428 CA PRO A 31 -13.060 5.988 2.852 1.00 0.00 C ATOM 429 C PRO A 31 -13.995 7.003 3.501 1.00 0.00 C ATOM 430 O PRO A 31 -14.354 6.871 4.671 1.00 0.00 O ATOM 431 CB PRO A 31 -13.826 4.714 2.487 1.00 0.00 C ATOM 432 CG PRO A 31 -13.611 3.798 3.641 1.00 0.00 C ATOM 433 CD PRO A 31 -12.233 4.103 4.161 1.00 0.00 C ATOM 0 HA PRO A 31 -12.630 6.505 1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.886 4.919 2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.451 4.278 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -14.364 3.959 4.413 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.690 2.756 3.332 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.172 3.968 5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.482 3.451 3.715 1.00 0.00 H new ATOM 441 N ASP A 32 -14.385 8.015 2.734 1.00 0.00 N ATOM 442 CA ASP A 32 -15.280 9.052 3.234 1.00 0.00 C ATOM 443 C ASP A 32 -16.340 8.458 4.156 1.00 0.00 C ATOM 444 O ASP A 32 -16.596 8.978 5.242 1.00 0.00 O ATOM 445 CB ASP A 32 -15.951 9.782 2.070 1.00 0.00 C ATOM 446 CG ASP A 32 -17.114 10.644 2.519 1.00 0.00 C ATOM 447 OD1 ASP A 32 -16.878 11.622 3.259 1.00 0.00 O ATOM 448 OD2 ASP A 32 -18.261 10.340 2.131 1.00 0.00 O ATOM 0 H ASP A 32 -14.096 8.139 1.764 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.685 9.765 3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.215 10.406 1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.304 9.051 1.342 1.00 0.00 H new ATOM 453 N HIS A 33 -16.954 7.364 3.716 1.00 0.00 N ATOM 454 CA HIS A 33 -17.988 6.699 4.501 1.00 0.00 C ATOM 455 C HIS A 33 -17.684 5.211 4.648 1.00 0.00 C ATOM 456 O HIS A 33 -16.863 4.660 3.915 1.00 0.00 O ATOM 457 CB HIS A 33 -19.357 6.890 3.848 1.00 0.00 C ATOM 458 CG HIS A 33 -19.699 5.825 2.852 1.00 0.00 C ATOM 459 ND1 HIS A 33 -20.984 5.364 2.655 1.00 0.00 N ATOM 460 CD2 HIS A 33 -18.916 5.132 1.993 1.00 0.00 C ATOM 461 CE1 HIS A 33 -20.976 4.432 1.719 1.00 0.00 C ATOM 462 NE2 HIS A 33 -19.733 4.272 1.301 1.00 0.00 N ATOM 0 H HIS A 33 -16.753 6.919 2.820 1.00 0.00 H new ATOM 0 HA HIS A 33 -18.002 7.149 5.493 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -20.122 6.909 4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -19.382 7.861 3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -17.848 5.236 1.874 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -21.839 3.893 1.357 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -19.429 3.616 0.581 1.00 0.00 H new ATOM 471 N ILE A 34 -18.351 4.567 5.600 1.00 0.00 N ATOM 472 CA ILE A 34 -18.153 3.144 5.842 1.00 0.00 C ATOM 473 C ILE A 34 -19.437 2.359 5.594 1.00 0.00 C ATOM 474 O ILE A 34 -20.506 2.730 6.076 1.00 0.00 O ATOM 475 CB ILE A 34 -17.673 2.879 7.282 1.00 0.00 C ATOM 476 CG1 ILE A 34 -16.555 3.853 7.658 1.00 0.00 C ATOM 477 CG2 ILE A 34 -17.201 1.440 7.427 1.00 0.00 C ATOM 478 CD1 ILE A 34 -15.314 3.706 6.806 1.00 0.00 C ATOM 0 H ILE A 34 -19.033 5.009 6.216 1.00 0.00 H new ATOM 0 HA ILE A 34 -17.385 2.810 5.144 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.510 3.036 7.963 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.928 4.873 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -16.288 3.701 8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.865 1.269 8.450 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -18.023 0.762 7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -16.376 1.257 6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.564 4.428 7.129 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.916 2.697 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.566 3.887 5.761 1.00 0.00 H new ATOM 517 N GLY A 38 -19.357 -2.514 7.693 1.00 0.00 N ATOM 518 CA GLY A 38 -18.213 -2.104 8.488 1.00 0.00 C ATOM 519 C GLY A 38 -16.894 -2.489 7.847 1.00 0.00 C ATOM 520 O GLY A 38 -16.721 -3.624 7.400 1.00 0.00 O ATOM 0 HA2 GLY A 38 -18.242 -1.024 8.631 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.280 -2.559 9.476 1.00 0.00 H new ATOM 524 N LEU A 39 -15.963 -1.543 7.801 1.00 0.00 N ATOM 525 CA LEU A 39 -14.652 -1.788 7.209 1.00 0.00 C ATOM 526 C LEU A 39 -13.702 -2.409 8.227 1.00 0.00 C ATOM 527 O LEU A 39 -13.511 -1.873 9.319 1.00 0.00 O ATOM 528 CB LEU A 39 -14.062 -0.484 6.671 1.00 0.00 C ATOM 529 CG LEU A 39 -12.559 -0.493 6.390 1.00 0.00 C ATOM 530 CD1 LEU A 39 -12.282 -1.001 4.984 1.00 0.00 C ATOM 531 CD2 LEU A 39 -11.972 0.898 6.582 1.00 0.00 C ATOM 0 H LEU A 39 -16.091 -0.599 8.166 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.778 -2.489 6.384 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.582 -0.227 5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.273 0.310 7.388 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.080 -1.168 7.099 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.207 -1.000 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.667 -2.016 4.881 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.773 -0.352 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.902 0.873 6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -12.456 1.595 5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.138 1.224 7.609 1.00 0.00 H new ATOM 543 N ASP A 40 -13.107 -3.539 7.862 1.00 0.00 N ATOM 544 CA ASP A 40 -12.173 -4.231 8.743 1.00 0.00 C ATOM 545 C ASP A 40 -10.749 -4.140 8.204 1.00 0.00 C ATOM 546 O ASP A 40 -10.345 -4.932 7.353 1.00 0.00 O ATOM 547 CB ASP A 40 -12.580 -5.697 8.901 1.00 0.00 C ATOM 548 CG ASP A 40 -14.075 -5.901 8.764 1.00 0.00 C ATOM 549 OD1 ASP A 40 -14.840 -5.055 9.273 1.00 0.00 O ATOM 550 OD2 ASP A 40 -14.482 -6.908 8.146 1.00 0.00 O ATOM 0 H ASP A 40 -13.255 -3.996 6.962 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.204 -3.746 9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.064 -6.297 8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.255 -6.058 9.877 1.00 0.00 H new ATOM 555 N GLY A 41 -9.993 -3.168 8.705 1.00 0.00 N ATOM 556 CA GLY A 41 -8.623 -2.991 8.261 1.00 0.00 C ATOM 557 C GLY A 41 -8.516 -2.836 6.757 1.00 0.00 C ATOM 558 O GLY A 41 -9.496 -2.507 6.088 1.00 0.00 O ATOM 0 H GLY A 41 -10.305 -2.500 9.410 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.198 -2.111 8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.028 -3.848 8.578 1.00 0.00 H new ATOM 562 N TYR A 42 -7.323 -3.072 6.223 1.00 0.00 N ATOM 563 CA TYR A 42 -7.090 -2.953 4.788 1.00 0.00 C ATOM 564 C TYR A 42 -6.079 -3.992 4.312 1.00 0.00 C ATOM 565 O TYR A 42 -5.603 -4.815 5.093 1.00 0.00 O ATOM 566 CB TYR A 42 -6.594 -1.548 4.445 1.00 0.00 C ATOM 567 CG TYR A 42 -7.375 -0.447 5.127 1.00 0.00 C ATOM 568 CD1 TYR A 42 -7.112 -0.097 6.446 1.00 0.00 C ATOM 569 CD2 TYR A 42 -8.376 0.242 4.454 1.00 0.00 C ATOM 570 CE1 TYR A 42 -7.823 0.908 7.074 1.00 0.00 C ATOM 571 CE2 TYR A 42 -9.091 1.249 5.073 1.00 0.00 C ATOM 572 CZ TYR A 42 -8.811 1.578 6.383 1.00 0.00 C ATOM 573 OH TYR A 42 -9.522 2.579 7.004 1.00 0.00 O ATOM 0 H TYR A 42 -6.502 -3.347 6.762 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.036 -3.132 4.276 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.544 -1.464 4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.649 -1.406 3.366 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.339 -0.619 6.990 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -8.599 -0.014 3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.606 1.167 8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -9.865 1.776 4.534 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.957 3.012 7.678 1.00 0.00 H new ATOM 583 N VAL A 43 -5.755 -3.946 3.024 1.00 0.00 N ATOM 584 CA VAL A 43 -4.800 -4.880 2.442 1.00 0.00 C ATOM 585 C VAL A 43 -3.814 -4.161 1.528 1.00 0.00 C ATOM 586 O VAL A 43 -4.211 -3.437 0.614 1.00 0.00 O ATOM 587 CB VAL A 43 -5.512 -5.985 1.640 1.00 0.00 C ATOM 588 CG1 VAL A 43 -4.534 -6.685 0.709 1.00 0.00 C ATOM 589 CG2 VAL A 43 -6.174 -6.983 2.579 1.00 0.00 C ATOM 0 H VAL A 43 -6.140 -3.271 2.363 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.258 -5.334 3.271 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.289 -5.523 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.056 -7.462 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.112 -5.960 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.732 -7.135 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.672 -7.757 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.417 -7.440 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.907 -6.468 3.199 1.00 0.00 H new ATOM 599 N LEU A 44 -2.525 -4.364 1.781 1.00 0.00 N ATOM 600 CA LEU A 44 -1.480 -3.735 0.980 1.00 0.00 C ATOM 601 C LEU A 44 -0.550 -4.783 0.378 1.00 0.00 C ATOM 602 O LEU A 44 -0.096 -5.694 1.069 1.00 0.00 O ATOM 603 CB LEU A 44 -0.676 -2.755 1.836 1.00 0.00 C ATOM 604 CG LEU A 44 0.260 -1.813 1.078 1.00 0.00 C ATOM 605 CD1 LEU A 44 0.534 -0.560 1.895 1.00 0.00 C ATOM 606 CD2 LEU A 44 1.562 -2.521 0.731 1.00 0.00 C ATOM 0 H LEU A 44 -2.179 -4.959 2.534 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.958 -3.190 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.375 -2.152 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.083 -3.328 2.549 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.228 -1.516 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.202 0.098 1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.404 -0.042 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.001 -0.837 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.216 -1.836 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.054 -2.847 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.349 -3.388 0.105 1.00 0.00 H new ATOM 618 N GLU A 45 -0.271 -4.646 -0.915 1.00 0.00 N ATOM 619 CA GLU A 45 0.606 -5.581 -1.609 1.00 0.00 C ATOM 620 C GLU A 45 1.511 -4.848 -2.595 1.00 0.00 C ATOM 621 O GLU A 45 1.222 -3.723 -3.002 1.00 0.00 O ATOM 622 CB GLU A 45 -0.219 -6.638 -2.346 1.00 0.00 C ATOM 623 CG GLU A 45 -1.209 -7.368 -1.454 1.00 0.00 C ATOM 624 CD GLU A 45 -2.433 -7.847 -2.210 1.00 0.00 C ATOM 625 OE1 GLU A 45 -2.868 -7.141 -3.144 1.00 0.00 O ATOM 626 OE2 GLU A 45 -2.955 -8.928 -1.868 1.00 0.00 O ATOM 0 H GLU A 45 -0.639 -3.897 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 45 1.232 -6.073 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.762 -6.160 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.457 -7.365 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.714 -8.223 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.521 -6.706 -0.647 1.00 0.00 H new ATOM 633 N TYR A 46 2.608 -5.494 -2.975 1.00 0.00 N ATOM 634 CA TYR A 46 3.558 -4.904 -3.911 1.00 0.00 C ATOM 635 C TYR A 46 4.066 -5.947 -4.902 1.00 0.00 C ATOM 636 O TYR A 46 4.414 -7.065 -4.519 1.00 0.00 O ATOM 637 CB TYR A 46 4.735 -4.286 -3.154 1.00 0.00 C ATOM 638 CG TYR A 46 5.680 -5.309 -2.566 1.00 0.00 C ATOM 639 CD1 TYR A 46 5.259 -6.183 -1.572 1.00 0.00 C ATOM 640 CD2 TYR A 46 6.995 -5.402 -3.007 1.00 0.00 C ATOM 641 CE1 TYR A 46 6.120 -7.119 -1.031 1.00 0.00 C ATOM 642 CE2 TYR A 46 7.863 -6.336 -2.473 1.00 0.00 C ATOM 643 CZ TYR A 46 7.421 -7.191 -1.486 1.00 0.00 C ATOM 644 OH TYR A 46 8.281 -8.123 -0.951 1.00 0.00 O ATOM 0 H TYR A 46 2.861 -6.427 -2.649 1.00 0.00 H new ATOM 0 HA TYR A 46 3.042 -4.122 -4.468 1.00 0.00 H new ATOM 0 HB2 TYR A 46 5.291 -3.637 -3.831 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.350 -3.656 -2.352 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.241 -6.130 -1.216 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.344 -4.733 -3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.777 -7.790 -0.257 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.882 -6.396 -2.827 1.00 0.00 H new ATOM 0 HH TYR A 46 9.158 -8.043 -1.381 1.00 0.00 H new ATOM 654 N CYS A 47 4.107 -5.572 -6.175 1.00 0.00 N ATOM 655 CA CYS A 47 4.573 -6.474 -7.223 1.00 0.00 C ATOM 656 C CYS A 47 6.005 -6.141 -7.629 1.00 0.00 C ATOM 657 O CYS A 47 6.278 -5.059 -8.150 1.00 0.00 O ATOM 658 CB CYS A 47 3.652 -6.393 -8.441 1.00 0.00 C ATOM 659 SG CYS A 47 4.253 -7.304 -9.883 1.00 0.00 S ATOM 0 H CYS A 47 3.824 -4.650 -6.507 1.00 0.00 H new ATOM 0 HA CYS A 47 4.553 -7.490 -6.829 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.669 -6.776 -8.166 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.521 -5.346 -8.715 1.00 0.00 H new ATOM 0 HG CYS A 47 4.297 -8.574 -9.607 1.00 0.00 H new ATOM 665 N PHE A 48 6.916 -7.078 -7.387 1.00 0.00 N ATOM 666 CA PHE A 48 8.321 -6.883 -7.725 1.00 0.00 C ATOM 667 C PHE A 48 8.523 -6.894 -9.238 1.00 0.00 C ATOM 668 O PHE A 48 7.962 -7.733 -9.943 1.00 0.00 O ATOM 669 CB PHE A 48 9.179 -7.972 -7.077 1.00 0.00 C ATOM 670 CG PHE A 48 10.573 -7.520 -6.749 1.00 0.00 C ATOM 671 CD1 PHE A 48 10.790 -6.522 -5.813 1.00 0.00 C ATOM 672 CD2 PHE A 48 11.667 -8.093 -7.378 1.00 0.00 C ATOM 673 CE1 PHE A 48 12.072 -6.104 -5.509 1.00 0.00 C ATOM 674 CE2 PHE A 48 12.951 -7.680 -7.078 1.00 0.00 C ATOM 675 CZ PHE A 48 13.154 -6.683 -6.143 1.00 0.00 C ATOM 0 H PHE A 48 6.706 -7.979 -6.958 1.00 0.00 H new ATOM 0 HA PHE A 48 8.630 -5.910 -7.342 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.691 -8.312 -6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.232 -8.829 -7.748 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.948 -6.065 -5.315 1.00 0.00 H new ATOM 0 HD2 PHE A 48 11.514 -8.871 -8.111 1.00 0.00 H new ATOM 0 HE1 PHE A 48 12.227 -5.326 -4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 48 13.795 -8.136 -7.574 1.00 0.00 H new ATOM 0 HZ PHE A 48 14.157 -6.357 -5.908 1.00 0.00 H new ATOM 685 N GLU A 49 9.327 -5.956 -9.728 1.00 0.00 N ATOM 686 CA GLU A 49 9.602 -5.857 -11.157 1.00 0.00 C ATOM 687 C GLU A 49 10.278 -7.125 -11.670 1.00 0.00 C ATOM 688 O GLU A 49 10.128 -7.494 -12.834 1.00 0.00 O ATOM 689 CB GLU A 49 10.485 -4.642 -11.446 1.00 0.00 C ATOM 690 CG GLU A 49 11.891 -4.763 -10.881 1.00 0.00 C ATOM 691 CD GLU A 49 12.897 -3.913 -11.632 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.460 -4.404 -12.632 1.00 0.00 O ATOM 693 OE2 GLU A 49 13.120 -2.756 -11.218 1.00 0.00 O ATOM 0 H GLU A 49 9.799 -5.254 -9.158 1.00 0.00 H new ATOM 0 HA GLU A 49 8.651 -5.737 -11.677 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.547 -4.497 -12.525 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.011 -3.752 -11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.883 -4.468 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.204 -5.806 -10.917 1.00 0.00 H new ATOM 700 N GLY A 50 11.024 -7.788 -10.792 1.00 0.00 N ATOM 701 CA GLY A 50 11.713 -9.007 -11.174 1.00 0.00 C ATOM 702 C GLY A 50 10.757 -10.149 -11.457 1.00 0.00 C ATOM 703 O GLY A 50 11.147 -11.170 -12.024 1.00 0.00 O ATOM 0 H GLY A 50 11.164 -7.503 -9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 50 12.318 -8.816 -12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.397 -9.299 -10.377 1.00 0.00 H new ATOM 707 N THR A 51 9.500 -9.979 -11.059 1.00 0.00 N ATOM 708 CA THR A 51 8.486 -11.004 -11.270 1.00 0.00 C ATOM 709 C THR A 51 7.250 -10.424 -11.948 1.00 0.00 C ATOM 710 O THR A 51 7.220 -9.245 -12.299 1.00 0.00 O ATOM 711 CB THR A 51 8.068 -11.663 -9.942 1.00 0.00 C ATOM 712 OG1 THR A 51 7.409 -10.704 -9.107 1.00 0.00 O ATOM 713 CG2 THR A 51 9.278 -12.230 -9.215 1.00 0.00 C ATOM 0 H THR A 51 9.160 -9.140 -10.588 1.00 0.00 H new ATOM 0 HA THR A 51 8.931 -11.760 -11.917 1.00 0.00 H new ATOM 0 HB THR A 51 7.383 -12.481 -10.166 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.605 -11.107 -8.717 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.958 -12.690 -8.280 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.761 -12.980 -9.842 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.983 -11.427 -9.001 1.00 0.00 H new ATOM 721 N GLU A 52 6.233 -11.260 -12.129 1.00 0.00 N ATOM 722 CA GLU A 52 4.994 -10.829 -12.766 1.00 0.00 C ATOM 723 C GLU A 52 3.785 -11.205 -11.914 1.00 0.00 C ATOM 724 O GLU A 52 2.700 -11.464 -12.437 1.00 0.00 O ATOM 725 CB GLU A 52 4.865 -11.452 -14.158 1.00 0.00 C ATOM 726 CG GLU A 52 4.890 -12.971 -14.149 1.00 0.00 C ATOM 727 CD GLU A 52 4.262 -13.571 -15.392 1.00 0.00 C ATOM 728 OE1 GLU A 52 4.947 -13.628 -16.434 1.00 0.00 O ATOM 729 OE2 GLU A 52 3.086 -13.985 -15.321 1.00 0.00 O ATOM 0 H GLU A 52 6.242 -12.239 -11.844 1.00 0.00 H new ATOM 0 HA GLU A 52 5.025 -9.744 -12.864 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.934 -11.115 -14.613 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.677 -11.087 -14.787 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.921 -13.313 -14.066 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.362 -13.334 -13.268 1.00 0.00 H new ATOM 736 N ASP A 53 3.980 -11.234 -10.601 1.00 0.00 N ATOM 737 CA ASP A 53 2.906 -11.579 -9.676 1.00 0.00 C ATOM 738 C ASP A 53 2.901 -10.638 -8.475 1.00 0.00 C ATOM 739 O ASP A 53 3.935 -10.083 -8.105 1.00 0.00 O ATOM 740 CB ASP A 53 3.055 -13.026 -9.205 1.00 0.00 C ATOM 741 CG ASP A 53 4.175 -13.195 -8.197 1.00 0.00 C ATOM 742 OD1 ASP A 53 5.324 -12.827 -8.519 1.00 0.00 O ATOM 743 OD2 ASP A 53 3.902 -13.694 -7.085 1.00 0.00 O ATOM 0 H ASP A 53 4.871 -11.023 -10.152 1.00 0.00 H new ATOM 0 HA ASP A 53 1.958 -11.473 -10.203 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.117 -13.359 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.245 -13.667 -10.066 1.00 0.00 H new ATOM 748 N TRP A 54 1.730 -10.462 -7.873 1.00 0.00 N ATOM 749 CA TRP A 54 1.590 -9.587 -6.715 1.00 0.00 C ATOM 750 C TRP A 54 1.957 -10.322 -5.430 1.00 0.00 C ATOM 751 O TRP A 54 1.336 -11.325 -5.079 1.00 0.00 O ATOM 752 CB TRP A 54 0.159 -9.055 -6.621 1.00 0.00 C ATOM 753 CG TRP A 54 -0.162 -8.030 -7.666 1.00 0.00 C ATOM 754 CD1 TRP A 54 -0.844 -8.233 -8.832 1.00 0.00 C ATOM 755 CD2 TRP A 54 0.187 -6.642 -7.640 1.00 0.00 C ATOM 756 NE1 TRP A 54 -0.940 -7.054 -9.532 1.00 0.00 N ATOM 757 CE2 TRP A 54 -0.316 -6.063 -8.822 1.00 0.00 C ATOM 758 CE3 TRP A 54 0.874 -5.830 -6.732 1.00 0.00 C ATOM 759 CZ2 TRP A 54 -0.152 -4.713 -9.117 1.00 0.00 C ATOM 760 CZ3 TRP A 54 1.036 -4.490 -7.028 1.00 0.00 C ATOM 761 CH2 TRP A 54 0.524 -3.942 -8.211 1.00 0.00 C ATOM 0 H TRP A 54 0.864 -10.914 -8.168 1.00 0.00 H new ATOM 0 HA TRP A 54 2.274 -8.748 -6.841 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.538 -9.888 -6.713 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.005 -8.618 -5.634 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.248 -9.181 -9.156 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.401 -6.936 -10.434 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.271 -6.243 -5.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.545 -4.289 -10.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.567 -3.854 -6.335 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.666 -2.890 -8.412 1.00 0.00 H new ATOM 772 N ILE A 55 2.969 -9.816 -4.733 1.00 0.00 N ATOM 773 CA ILE A 55 3.417 -10.425 -3.486 1.00 0.00 C ATOM 774 C ILE A 55 2.736 -9.779 -2.284 1.00 0.00 C ATOM 775 O ILE A 55 2.632 -8.556 -2.198 1.00 0.00 O ATOM 776 CB ILE A 55 4.944 -10.309 -3.320 1.00 0.00 C ATOM 777 CG1 ILE A 55 5.658 -10.932 -4.522 1.00 0.00 C ATOM 778 CG2 ILE A 55 5.388 -10.978 -2.028 1.00 0.00 C ATOM 779 CD1 ILE A 55 7.078 -10.442 -4.701 1.00 0.00 C ATOM 0 H ILE A 55 3.494 -8.987 -5.010 1.00 0.00 H new ATOM 0 HA ILE A 55 3.144 -11.479 -3.533 1.00 0.00 H new ATOM 0 HB ILE A 55 5.211 -9.253 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.668 -12.016 -4.407 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.090 -10.713 -5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.469 -10.888 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.901 -10.494 -1.182 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.112 -12.032 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.523 -10.925 -5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.074 -9.362 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.662 -10.685 -3.813 1.00 0.00 H new ATOM 791 N VAL A 56 2.274 -10.611 -1.356 1.00 0.00 N ATOM 792 CA VAL A 56 1.606 -10.122 -0.156 1.00 0.00 C ATOM 793 C VAL A 56 2.607 -9.527 0.827 1.00 0.00 C ATOM 794 O VAL A 56 3.555 -10.192 1.243 1.00 0.00 O ATOM 795 CB VAL A 56 0.820 -11.246 0.546 1.00 0.00 C ATOM 796 CG1 VAL A 56 0.194 -10.735 1.835 1.00 0.00 C ATOM 797 CG2 VAL A 56 -0.242 -11.814 -0.383 1.00 0.00 C ATOM 0 H VAL A 56 2.350 -11.627 -1.412 1.00 0.00 H new ATOM 0 HA VAL A 56 0.910 -9.346 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 56 1.514 -12.047 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.357 -11.543 2.317 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.978 -10.380 2.504 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.488 -9.915 1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.787 -12.607 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.935 -11.023 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.235 -12.220 -1.275 1.00 0.00 H new ATOM 807 N ALA A 57 2.389 -8.269 1.196 1.00 0.00 N ATOM 808 CA ALA A 57 3.270 -7.583 2.133 1.00 0.00 C ATOM 809 C ALA A 57 2.774 -7.737 3.567 1.00 0.00 C ATOM 810 O ALA A 57 3.563 -7.942 4.488 1.00 0.00 O ATOM 811 CB ALA A 57 3.387 -6.111 1.767 1.00 0.00 C ATOM 0 H ALA A 57 1.609 -7.704 0.860 1.00 0.00 H new ATOM 0 HA ALA A 57 4.257 -8.041 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.048 -5.611 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.796 -6.018 0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.401 -5.648 1.802 1.00 0.00 H new ATOM 817 N ASN A 58 1.461 -7.635 3.748 1.00 0.00 N ATOM 818 CA ASN A 58 0.860 -7.761 5.070 1.00 0.00 C ATOM 819 C ASN A 58 0.207 -9.129 5.243 1.00 0.00 C ATOM 820 O ASN A 58 -0.674 -9.511 4.471 1.00 0.00 O ATOM 821 CB ASN A 58 -0.177 -6.657 5.289 1.00 0.00 C ATOM 822 CG ASN A 58 -1.379 -6.803 4.376 1.00 0.00 C ATOM 823 OD1 ASN A 58 -1.291 -6.559 3.173 1.00 0.00 O ATOM 824 ND2 ASN A 58 -2.510 -7.203 4.947 1.00 0.00 N ATOM 0 H ASN A 58 0.793 -7.465 2.996 1.00 0.00 H new ATOM 0 HA ASN A 58 1.651 -7.660 5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.509 -6.675 6.327 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.289 -5.686 5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.352 -7.319 4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.536 -7.394 5.949 1.00 0.00 H new ATOM 831 N LYS A 59 0.644 -9.863 6.260 1.00 0.00 N ATOM 832 CA LYS A 59 0.102 -11.188 6.537 1.00 0.00 C ATOM 833 C LYS A 59 -1.415 -11.134 6.690 1.00 0.00 C ATOM 834 O LYS A 59 -2.142 -11.871 6.024 1.00 0.00 O ATOM 835 CB LYS A 59 0.733 -11.765 7.806 1.00 0.00 C ATOM 836 CG LYS A 59 0.344 -13.208 8.077 1.00 0.00 C ATOM 837 CD LYS A 59 1.114 -13.781 9.255 1.00 0.00 C ATOM 838 CE LYS A 59 2.438 -14.386 8.813 1.00 0.00 C ATOM 839 NZ LYS A 59 3.509 -13.357 8.706 1.00 0.00 N ATOM 0 H LYS A 59 1.373 -9.562 6.907 1.00 0.00 H new ATOM 0 HA LYS A 59 0.342 -11.835 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.818 -11.699 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.440 -11.152 8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.726 -13.266 8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.535 -13.810 7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.298 -12.995 9.988 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.511 -14.543 9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.742 -15.154 9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.309 -14.878 7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.424 -13.781 8.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.550 -12.999 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.301 -12.571 9.355 1.00 0.00 H new ATOM 853 N ASP A 60 -1.886 -10.257 7.570 1.00 0.00 N ATOM 854 CA ASP A 60 -3.316 -10.105 7.808 1.00 0.00 C ATOM 855 C ASP A 60 -3.731 -8.640 7.711 1.00 0.00 C ATOM 856 O ASP A 60 -2.887 -7.743 7.721 1.00 0.00 O ATOM 857 CB ASP A 60 -3.688 -10.663 9.183 1.00 0.00 C ATOM 858 CG ASP A 60 -2.951 -11.949 9.504 1.00 0.00 C ATOM 859 OD1 ASP A 60 -3.338 -13.005 8.962 1.00 0.00 O ATOM 860 OD2 ASP A 60 -1.989 -11.899 10.299 1.00 0.00 O ATOM 0 H ASP A 60 -1.298 -9.640 8.130 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.848 -10.666 7.040 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.464 -9.919 9.947 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.762 -10.844 9.220 1.00 0.00 H new ATOM 865 N LEU A 61 -5.035 -8.405 7.616 1.00 0.00 N ATOM 866 CA LEU A 61 -5.562 -7.049 7.515 1.00 0.00 C ATOM 867 C LEU A 61 -4.720 -6.075 8.333 1.00 0.00 C ATOM 868 O LEU A 61 -4.357 -6.360 9.475 1.00 0.00 O ATOM 869 CB LEU A 61 -7.015 -7.009 7.992 1.00 0.00 C ATOM 870 CG LEU A 61 -7.224 -6.944 9.506 1.00 0.00 C ATOM 871 CD1 LEU A 61 -7.083 -5.514 10.003 1.00 0.00 C ATOM 872 CD2 LEU A 61 -8.585 -7.510 9.881 1.00 0.00 C ATOM 0 H LEU A 61 -5.747 -9.136 7.607 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.520 -6.747 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.501 -6.144 7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.525 -7.894 7.613 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.456 -7.551 9.986 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.235 -5.487 11.082 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.085 -5.144 9.768 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.828 -4.884 9.516 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.716 -7.456 10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.368 -6.931 9.391 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.648 -8.550 9.560 1.00 0.00 H new ATOM 884 N ILE A 62 -4.415 -4.924 7.743 1.00 0.00 N ATOM 885 CA ILE A 62 -3.619 -3.907 8.418 1.00 0.00 C ATOM 886 C ILE A 62 -4.497 -2.996 9.268 1.00 0.00 C ATOM 887 O ILE A 62 -5.209 -2.138 8.745 1.00 0.00 O ATOM 888 CB ILE A 62 -2.831 -3.049 7.412 1.00 0.00 C ATOM 889 CG1 ILE A 62 -2.051 -3.943 6.446 1.00 0.00 C ATOM 890 CG2 ILE A 62 -1.889 -2.104 8.144 1.00 0.00 C ATOM 891 CD1 ILE A 62 -1.669 -3.251 5.156 1.00 0.00 C ATOM 0 H ILE A 62 -4.707 -4.673 6.799 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.915 -4.434 9.063 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.538 -2.452 6.835 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.146 -4.296 6.941 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.651 -4.823 6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.339 -1.504 7.419 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.466 -1.447 8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.186 -2.683 8.743 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.119 -3.945 4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.570 -2.922 4.639 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.042 -2.387 5.378 1.00 0.00 H new ATOM 903 N ASP A 63 -4.442 -3.186 10.582 1.00 0.00 N ATOM 904 CA ASP A 63 -5.230 -2.379 11.506 1.00 0.00 C ATOM 905 C ASP A 63 -4.924 -0.896 11.329 1.00 0.00 C ATOM 906 O ASP A 63 -5.827 -0.083 11.129 1.00 0.00 O ATOM 907 CB ASP A 63 -4.954 -2.802 12.949 1.00 0.00 C ATOM 908 CG ASP A 63 -5.704 -4.061 13.338 1.00 0.00 C ATOM 909 OD1 ASP A 63 -6.938 -4.099 13.149 1.00 0.00 O ATOM 910 OD2 ASP A 63 -5.056 -5.009 13.830 1.00 0.00 O ATOM 0 H ASP A 63 -3.859 -3.893 11.031 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.285 -2.542 11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.884 -2.966 13.078 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.236 -1.992 13.622 1.00 0.00 H new ATOM 915 N LYS A 64 -3.643 -0.548 11.406 1.00 0.00 N ATOM 916 CA LYS A 64 -3.216 0.837 11.255 1.00 0.00 C ATOM 917 C LYS A 64 -3.483 1.338 9.839 1.00 0.00 C ATOM 918 O LYS A 64 -3.989 0.600 8.993 1.00 0.00 O ATOM 919 CB LYS A 64 -1.727 0.972 11.581 1.00 0.00 C ATOM 920 CG LYS A 64 -1.445 1.183 13.059 1.00 0.00 C ATOM 921 CD LYS A 64 -1.429 -0.134 13.817 1.00 0.00 C ATOM 922 CE LYS A 64 -0.046 -0.767 13.806 1.00 0.00 C ATOM 923 NZ LYS A 64 -0.019 -2.053 14.555 1.00 0.00 N ATOM 0 H LYS A 64 -2.883 -1.207 11.572 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.792 1.446 11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.207 0.075 11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.315 1.809 11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.485 1.685 13.179 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.203 1.840 13.485 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.745 0.034 14.847 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.148 -0.821 13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.266 -0.940 12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.673 -0.076 14.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.941 -2.453 14.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.292 -1.884 15.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.687 -2.722 14.121 1.00 0.00 H new ATOM 937 N THR A 65 -3.140 2.597 9.586 1.00 0.00 N ATOM 938 CA THR A 65 -3.343 3.196 8.273 1.00 0.00 C ATOM 939 C THR A 65 -2.014 3.431 7.564 1.00 0.00 C ATOM 940 O THR A 65 -1.926 4.235 6.636 1.00 0.00 O ATOM 941 CB THR A 65 -4.099 4.534 8.377 1.00 0.00 C ATOM 942 OG1 THR A 65 -3.574 5.311 9.458 1.00 0.00 O ATOM 943 CG2 THR A 65 -5.587 4.299 8.590 1.00 0.00 C ATOM 0 H THR A 65 -2.720 3.222 10.274 1.00 0.00 H new ATOM 0 HA THR A 65 -3.941 2.492 7.694 1.00 0.00 H new ATOM 0 HB THR A 65 -3.963 5.077 7.441 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.059 6.161 9.516 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.100 5.258 8.661 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.990 3.733 7.750 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.738 3.738 9.512 1.00 0.00 H new ATOM 951 N LYS A 66 -0.980 2.723 8.007 1.00 0.00 N ATOM 952 CA LYS A 66 0.346 2.852 7.414 1.00 0.00 C ATOM 953 C LYS A 66 1.092 1.522 7.454 1.00 0.00 C ATOM 954 O LYS A 66 1.017 0.786 8.438 1.00 0.00 O ATOM 955 CB LYS A 66 1.154 3.924 8.150 1.00 0.00 C ATOM 956 CG LYS A 66 2.205 4.596 7.282 1.00 0.00 C ATOM 957 CD LYS A 66 2.572 5.971 7.815 1.00 0.00 C ATOM 958 CE LYS A 66 3.037 5.902 9.262 1.00 0.00 C ATOM 959 NZ LYS A 66 4.450 5.442 9.369 1.00 0.00 N ATOM 0 H LYS A 66 -1.035 2.054 8.775 1.00 0.00 H new ATOM 0 HA LYS A 66 0.223 3.149 6.372 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.471 4.683 8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.643 3.471 9.012 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.097 3.971 7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.831 4.688 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.360 6.403 7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.710 6.634 7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.939 6.885 9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.391 5.224 9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.729 5.408 10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.539 4.493 8.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.070 6.103 8.859 1.00 0.00 H new ATOM 973 N PHE A 67 1.812 1.221 6.379 1.00 0.00 N ATOM 974 CA PHE A 67 2.572 -0.021 6.291 1.00 0.00 C ATOM 975 C PHE A 67 3.970 0.235 5.736 1.00 0.00 C ATOM 976 O PHE A 67 4.196 1.207 5.014 1.00 0.00 O ATOM 977 CB PHE A 67 1.837 -1.032 5.408 1.00 0.00 C ATOM 978 CG PHE A 67 2.315 -2.444 5.589 1.00 0.00 C ATOM 979 CD1 PHE A 67 3.403 -2.919 4.875 1.00 0.00 C ATOM 980 CD2 PHE A 67 1.676 -3.298 6.474 1.00 0.00 C ATOM 981 CE1 PHE A 67 3.846 -4.218 5.039 1.00 0.00 C ATOM 982 CE2 PHE A 67 2.114 -4.598 6.643 1.00 0.00 C ATOM 983 CZ PHE A 67 3.199 -5.059 5.924 1.00 0.00 C ATOM 0 H PHE A 67 1.886 1.820 5.556 1.00 0.00 H new ATOM 0 HA PHE A 67 2.669 -0.431 7.296 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.770 -0.987 5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.959 -0.746 4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.912 -2.266 4.181 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.826 -2.944 7.038 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.696 -4.575 4.477 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.608 -5.253 7.337 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.541 -6.075 6.053 1.00 0.00 H new ATOM 993 N THR A 68 4.906 -0.645 6.078 1.00 0.00 N ATOM 994 CA THR A 68 6.282 -0.514 5.616 1.00 0.00 C ATOM 995 C THR A 68 6.858 -1.867 5.213 1.00 0.00 C ATOM 996 O THR A 68 7.022 -2.756 6.050 1.00 0.00 O ATOM 997 CB THR A 68 7.181 0.111 6.699 1.00 0.00 C ATOM 998 OG1 THR A 68 6.739 1.440 6.996 1.00 0.00 O ATOM 999 CG2 THR A 68 8.633 0.143 6.245 1.00 0.00 C ATOM 0 H THR A 68 4.736 -1.456 6.673 1.00 0.00 H new ATOM 0 HA THR A 68 6.262 0.143 4.747 1.00 0.00 H new ATOM 0 HB THR A 68 7.111 -0.503 7.597 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.315 1.830 7.686 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.249 0.589 7.026 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.975 -0.873 6.049 1.00 0.00 H new ATOM 0 HG23 THR A 68 8.717 0.736 5.335 1.00 0.00 H new ATOM 1007 N ILE A 69 7.163 -2.016 3.929 1.00 0.00 N ATOM 1008 CA ILE A 69 7.722 -3.261 3.417 1.00 0.00 C ATOM 1009 C ILE A 69 9.168 -3.441 3.866 1.00 0.00 C ATOM 1010 O ILE A 69 10.070 -2.756 3.384 1.00 0.00 O ATOM 1011 CB ILE A 69 7.664 -3.313 1.878 1.00 0.00 C ATOM 1012 CG1 ILE A 69 6.232 -3.082 1.392 1.00 0.00 C ATOM 1013 CG2 ILE A 69 8.191 -4.648 1.374 1.00 0.00 C ATOM 1014 CD1 ILE A 69 6.153 -2.559 -0.025 1.00 0.00 C ATOM 0 H ILE A 69 7.033 -1.290 3.224 1.00 0.00 H new ATOM 0 HA ILE A 69 7.115 -4.070 3.824 1.00 0.00 H new ATOM 0 HB ILE A 69 8.296 -2.520 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.679 -4.019 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.740 -2.375 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 69 8.144 -4.670 0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 69 9.225 -4.776 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.582 -5.456 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.109 -2.419 -0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.677 -1.606 -0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.616 -3.275 -0.704 1.00 0.00 H new ATOM 1026 N THR A 70 9.382 -4.369 4.794 1.00 0.00 N ATOM 1027 CA THR A 70 10.718 -4.640 5.309 1.00 0.00 C ATOM 1028 C THR A 70 11.472 -5.606 4.401 1.00 0.00 C ATOM 1029 O THR A 70 10.908 -6.586 3.917 1.00 0.00 O ATOM 1030 CB THR A 70 10.664 -5.227 6.732 1.00 0.00 C ATOM 1031 OG1 THR A 70 10.316 -6.615 6.676 1.00 0.00 O ATOM 1032 CG2 THR A 70 9.652 -4.480 7.587 1.00 0.00 C ATOM 0 H THR A 70 8.647 -4.945 5.204 1.00 0.00 H new ATOM 0 HA THR A 70 11.245 -3.686 5.338 1.00 0.00 H new ATOM 0 HB THR A 70 11.650 -5.118 7.184 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.285 -6.981 7.584 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.631 -4.912 8.587 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.935 -3.429 7.651 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.663 -4.562 7.136 1.00 0.00 H new ATOM 1040 N GLY A 71 12.751 -5.322 4.175 1.00 0.00 N ATOM 1041 CA GLY A 71 13.562 -6.176 3.326 1.00 0.00 C ATOM 1042 C GLY A 71 13.403 -5.848 1.855 1.00 0.00 C ATOM 1043 O GLY A 71 12.800 -6.614 1.102 1.00 0.00 O ATOM 0 H GLY A 71 13.240 -4.516 4.564 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.610 -6.073 3.607 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.288 -7.217 3.495 1.00 0.00 H new ATOM 1047 N LEU A 72 13.945 -4.707 1.443 1.00 0.00 N ATOM 1048 CA LEU A 72 13.860 -4.278 0.051 1.00 0.00 C ATOM 1049 C LEU A 72 15.239 -3.923 -0.494 1.00 0.00 C ATOM 1050 O LEU A 72 16.005 -3.182 0.122 1.00 0.00 O ATOM 1051 CB LEU A 72 12.923 -3.076 -0.076 1.00 0.00 C ATOM 1052 CG LEU A 72 11.445 -3.397 -0.301 1.00 0.00 C ATOM 1053 CD1 LEU A 72 10.600 -2.138 -0.181 1.00 0.00 C ATOM 1054 CD2 LEU A 72 11.242 -4.051 -1.660 1.00 0.00 C ATOM 0 H LEU A 72 14.448 -4.062 2.053 1.00 0.00 H new ATOM 0 HA LEU A 72 13.460 -5.105 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.010 -2.476 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.270 -2.457 -0.903 1.00 0.00 H new ATOM 0 HG LEU A 72 11.124 -4.099 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.551 -2.387 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.721 -1.712 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.921 -1.412 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.184 -4.272 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.580 -3.373 -2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.816 -4.976 -1.708 1.00 0.00 H new ATOM 1066 N PRO A 73 15.564 -4.461 -1.679 1.00 0.00 N ATOM 1067 CA PRO A 73 16.851 -4.212 -2.335 1.00 0.00 C ATOM 1068 C PRO A 73 16.976 -2.779 -2.842 1.00 0.00 C ATOM 1069 O PRO A 73 16.060 -2.249 -3.471 1.00 0.00 O ATOM 1070 CB PRO A 73 16.846 -5.196 -3.509 1.00 0.00 C ATOM 1071 CG PRO A 73 15.404 -5.437 -3.795 1.00 0.00 C ATOM 1072 CD PRO A 73 14.699 -5.353 -2.470 1.00 0.00 C ATOM 0 HA PRO A 73 17.690 -4.346 -1.652 1.00 0.00 H new ATOM 0 HB2 PRO A 73 17.357 -4.780 -4.377 1.00 0.00 H new ATOM 0 HB3 PRO A 73 17.359 -6.123 -3.251 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.015 -4.694 -4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.255 -6.414 -4.255 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.693 -4.947 -2.575 1.00 0.00 H new ATOM 0 HD3 PRO A 73 14.600 -6.334 -2.004 1.00 0.00 H new ATOM 1080 N THR A 74 18.117 -2.156 -2.564 1.00 0.00 N ATOM 1081 CA THR A 74 18.362 -0.784 -2.990 1.00 0.00 C ATOM 1082 C THR A 74 18.314 -0.664 -4.509 1.00 0.00 C ATOM 1083 O THR A 74 18.645 -1.608 -5.227 1.00 0.00 O ATOM 1084 CB THR A 74 19.727 -0.276 -2.489 1.00 0.00 C ATOM 1085 OG1 THR A 74 19.884 -0.581 -1.099 1.00 0.00 O ATOM 1086 CG2 THR A 74 19.856 1.225 -2.701 1.00 0.00 C ATOM 0 H THR A 74 18.886 -2.580 -2.045 1.00 0.00 H new ATOM 0 HA THR A 74 17.573 -0.171 -2.555 1.00 0.00 H new ATOM 0 HB THR A 74 20.508 -0.777 -3.061 1.00 0.00 H new ATOM 0 HG1 THR A 74 20.755 -0.256 -0.789 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.828 1.561 -2.340 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.766 1.452 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.067 1.739 -2.152 1.00 0.00 H new ATOM 1094 N ASP A 75 17.901 0.503 -4.992 1.00 0.00 N ATOM 1095 CA ASP A 75 17.811 0.747 -6.427 1.00 0.00 C ATOM 1096 C ASP A 75 16.866 -0.250 -7.090 1.00 0.00 C ATOM 1097 O ASP A 75 17.105 -0.695 -8.212 1.00 0.00 O ATOM 1098 CB ASP A 75 19.197 0.659 -7.069 1.00 0.00 C ATOM 1099 CG ASP A 75 19.318 1.525 -8.307 1.00 0.00 C ATOM 1100 OD1 ASP A 75 19.136 2.754 -8.191 1.00 0.00 O ATOM 1101 OD2 ASP A 75 19.594 0.972 -9.393 1.00 0.00 O ATOM 0 H ASP A 75 17.623 1.294 -4.411 1.00 0.00 H new ATOM 0 HA ASP A 75 17.413 1.751 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.951 0.962 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 75 19.407 -0.378 -7.332 1.00 0.00 H new ATOM 1106 N ALA A 76 15.792 -0.595 -6.388 1.00 0.00 N ATOM 1107 CA ALA A 76 14.810 -1.538 -6.909 1.00 0.00 C ATOM 1108 C ALA A 76 13.457 -0.864 -7.116 1.00 0.00 C ATOM 1109 O ALA A 76 13.010 -0.076 -6.282 1.00 0.00 O ATOM 1110 CB ALA A 76 14.671 -2.728 -5.971 1.00 0.00 C ATOM 0 H ALA A 76 15.580 -0.236 -5.457 1.00 0.00 H new ATOM 0 HA ALA A 76 15.162 -1.892 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.934 -3.424 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 76 15.633 -3.232 -5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.346 -2.382 -4.990 1.00 0.00 H new ATOM 1116 N LYS A 77 12.810 -1.178 -8.233 1.00 0.00 N ATOM 1117 CA LYS A 77 11.507 -0.604 -8.550 1.00 0.00 C ATOM 1118 C LYS A 77 10.384 -1.574 -8.196 1.00 0.00 C ATOM 1119 O LYS A 77 10.423 -2.746 -8.570 1.00 0.00 O ATOM 1120 CB LYS A 77 11.434 -0.243 -10.035 1.00 0.00 C ATOM 1121 CG LYS A 77 12.288 0.954 -10.413 1.00 0.00 C ATOM 1122 CD LYS A 77 11.921 1.490 -11.786 1.00 0.00 C ATOM 1123 CE LYS A 77 12.781 2.686 -12.166 1.00 0.00 C ATOM 1124 NZ LYS A 77 14.223 2.326 -12.255 1.00 0.00 N ATOM 0 H LYS A 77 13.167 -1.827 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 77 11.382 0.301 -7.955 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.748 -1.104 -10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.397 -0.037 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.163 1.741 -9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.340 0.669 -10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.042 0.702 -12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.870 1.778 -11.796 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.446 3.084 -13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.649 3.477 -11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 14.744 3.094 -12.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 14.604 2.182 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.329 1.450 -12.806 1.00 0.00 H new ATOM 1138 N ILE A 78 9.386 -1.077 -7.474 1.00 0.00 N ATOM 1139 CA ILE A 78 8.251 -1.899 -7.072 1.00 0.00 C ATOM 1140 C ILE A 78 6.950 -1.107 -7.130 1.00 0.00 C ATOM 1141 O ILE A 78 6.959 0.124 -7.131 1.00 0.00 O ATOM 1142 CB ILE A 78 8.436 -2.457 -5.648 1.00 0.00 C ATOM 1143 CG1 ILE A 78 8.446 -1.317 -4.628 1.00 0.00 C ATOM 1144 CG2 ILE A 78 9.722 -3.266 -5.559 1.00 0.00 C ATOM 1145 CD1 ILE A 78 7.074 -0.978 -4.088 1.00 0.00 C ATOM 0 H ILE A 78 9.340 -0.109 -7.155 1.00 0.00 H new ATOM 0 HA ILE A 78 8.199 -2.730 -7.775 1.00 0.00 H new ATOM 0 HB ILE A 78 7.599 -3.116 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.098 -1.589 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.875 -0.429 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.839 -3.654 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.679 -4.097 -6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.571 -2.628 -5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.157 -0.162 -3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.424 -0.675 -4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.651 -1.853 -3.595 1.00 0.00 H new ATOM 1157 N PHE A 79 5.830 -1.821 -7.178 1.00 0.00 N ATOM 1158 CA PHE A 79 4.519 -1.185 -7.236 1.00 0.00 C ATOM 1159 C PHE A 79 3.857 -1.178 -5.861 1.00 0.00 C ATOM 1160 O PHE A 79 4.390 -1.732 -4.900 1.00 0.00 O ATOM 1161 CB PHE A 79 3.622 -1.907 -8.243 1.00 0.00 C ATOM 1162 CG PHE A 79 4.100 -1.791 -9.662 1.00 0.00 C ATOM 1163 CD1 PHE A 79 3.940 -0.608 -10.366 1.00 0.00 C ATOM 1164 CD2 PHE A 79 4.708 -2.864 -10.292 1.00 0.00 C ATOM 1165 CE1 PHE A 79 4.379 -0.498 -11.673 1.00 0.00 C ATOM 1166 CE2 PHE A 79 5.150 -2.760 -11.598 1.00 0.00 C ATOM 1167 CZ PHE A 79 4.983 -1.576 -12.289 1.00 0.00 C ATOM 0 H PHE A 79 5.804 -2.841 -7.178 1.00 0.00 H new ATOM 0 HA PHE A 79 4.657 -0.153 -7.559 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.562 -2.961 -7.973 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.612 -1.502 -8.174 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.467 0.238 -9.889 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.838 -3.793 -9.757 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.250 0.430 -12.211 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.625 -3.603 -12.077 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.325 -1.493 -13.310 1.00 0.00 H new ATOM 1177 N VAL A 80 2.691 -0.546 -5.776 1.00 0.00 N ATOM 1178 CA VAL A 80 1.954 -0.467 -4.520 1.00 0.00 C ATOM 1179 C VAL A 80 0.463 -0.272 -4.769 1.00 0.00 C ATOM 1180 O VAL A 80 0.043 0.744 -5.324 1.00 0.00 O ATOM 1181 CB VAL A 80 2.471 0.685 -3.638 1.00 0.00 C ATOM 1182 CG1 VAL A 80 1.627 0.814 -2.379 1.00 0.00 C ATOM 1183 CG2 VAL A 80 3.936 0.471 -3.288 1.00 0.00 C ATOM 0 H VAL A 80 2.236 -0.081 -6.562 1.00 0.00 H new ATOM 0 HA VAL A 80 2.112 -1.412 -4.000 1.00 0.00 H new ATOM 0 HB VAL A 80 2.387 1.615 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.007 1.633 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.592 1.017 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.676 -0.115 -1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.285 1.294 -2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.047 -0.468 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.527 0.433 -4.203 1.00 0.00 H new ATOM 1193 N ARG A 81 -0.334 -1.252 -4.354 1.00 0.00 N ATOM 1194 CA ARG A 81 -1.779 -1.188 -4.532 1.00 0.00 C ATOM 1195 C ARG A 81 -2.502 -1.470 -3.218 1.00 0.00 C ATOM 1196 O ARG A 81 -2.320 -2.526 -2.611 1.00 0.00 O ATOM 1197 CB ARG A 81 -2.227 -2.190 -5.598 1.00 0.00 C ATOM 1198 CG ARG A 81 -1.400 -2.134 -6.872 1.00 0.00 C ATOM 1199 CD ARG A 81 -1.817 -0.971 -7.758 1.00 0.00 C ATOM 1200 NE ARG A 81 -1.077 0.248 -7.445 1.00 0.00 N ATOM 1201 CZ ARG A 81 0.116 0.534 -7.955 1.00 0.00 C ATOM 1202 NH1 ARG A 81 0.700 -0.307 -8.797 1.00 0.00 N ATOM 1203 NH2 ARG A 81 0.728 1.664 -7.623 1.00 0.00 N ATOM 0 H ARG A 81 -0.003 -2.099 -3.892 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.036 -0.180 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.173 -3.197 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.272 -2.002 -5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.344 -2.038 -6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.512 -3.069 -7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.655 -1.235 -8.803 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.885 -0.788 -7.637 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.499 0.916 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.233 -1.177 -9.055 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.616 -0.085 -9.187 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.282 2.314 -6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.644 1.882 -8.015 1.00 0.00 H new ATOM 1217 N VAL A 82 -3.323 -0.519 -2.784 1.00 0.00 N ATOM 1218 CA VAL A 82 -4.074 -0.665 -1.543 1.00 0.00 C ATOM 1219 C VAL A 82 -5.573 -0.727 -1.812 1.00 0.00 C ATOM 1220 O VAL A 82 -6.127 0.125 -2.508 1.00 0.00 O ATOM 1221 CB VAL A 82 -3.785 0.496 -0.573 1.00 0.00 C ATOM 1222 CG1 VAL A 82 -2.339 0.451 -0.102 1.00 0.00 C ATOM 1223 CG2 VAL A 82 -4.100 1.831 -1.231 1.00 0.00 C ATOM 0 H VAL A 82 -3.485 0.361 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.751 -1.600 -1.085 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.429 0.387 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.153 1.279 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.153 -0.493 0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.674 0.535 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.890 2.640 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.483 1.952 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.153 1.859 -1.512 1.00 0.00 H new ATOM 1233 N LYS A 83 -6.227 -1.741 -1.255 1.00 0.00 N ATOM 1234 CA LYS A 83 -7.664 -1.915 -1.433 1.00 0.00 C ATOM 1235 C LYS A 83 -8.389 -1.851 -0.092 1.00 0.00 C ATOM 1236 O LYS A 83 -7.759 -1.778 0.962 1.00 0.00 O ATOM 1237 CB LYS A 83 -7.956 -3.251 -2.120 1.00 0.00 C ATOM 1238 CG LYS A 83 -7.569 -4.460 -1.287 1.00 0.00 C ATOM 1239 CD LYS A 83 -7.709 -5.750 -2.078 1.00 0.00 C ATOM 1240 CE LYS A 83 -6.501 -5.990 -2.970 1.00 0.00 C ATOM 1241 NZ LYS A 83 -6.818 -6.910 -4.098 1.00 0.00 N ATOM 0 H LYS A 83 -5.785 -2.455 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.028 -1.103 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.020 -3.306 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.420 -3.287 -3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.540 -4.352 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.198 -4.507 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.828 -6.588 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.611 -5.708 -2.689 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.147 -5.038 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.689 -6.410 -2.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.969 -7.048 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.131 -7.827 -3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.575 -6.498 -4.680 1.00 0.00 H new ATOM 1255 N ALA A 84 -9.717 -1.882 -0.141 1.00 0.00 N ATOM 1256 CA ALA A 84 -10.527 -1.831 1.070 1.00 0.00 C ATOM 1257 C ALA A 84 -11.146 -3.191 1.374 1.00 0.00 C ATOM 1258 O ALA A 84 -11.763 -3.811 0.507 1.00 0.00 O ATOM 1259 CB ALA A 84 -11.613 -0.774 0.935 1.00 0.00 C ATOM 0 H ALA A 84 -10.254 -1.942 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 84 -9.875 -1.563 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -12.210 -0.747 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.154 0.201 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -12.255 -1.018 0.088 1.00 0.00 H new ATOM 1265 N VAL A 85 -10.976 -3.651 2.609 1.00 0.00 N ATOM 1266 CA VAL A 85 -11.519 -4.938 3.027 1.00 0.00 C ATOM 1267 C VAL A 85 -12.570 -4.764 4.117 1.00 0.00 C ATOM 1268 O VAL A 85 -12.323 -4.117 5.134 1.00 0.00 O ATOM 1269 CB VAL A 85 -10.409 -5.874 3.544 1.00 0.00 C ATOM 1270 CG1 VAL A 85 -10.990 -7.222 3.941 1.00 0.00 C ATOM 1271 CG2 VAL A 85 -9.322 -6.041 2.494 1.00 0.00 C ATOM 0 H VAL A 85 -10.466 -3.152 3.338 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.983 -5.386 2.148 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.961 -5.424 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.192 -7.870 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.730 -7.082 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.466 -7.682 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.546 -6.705 2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -9.753 -6.469 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -8.886 -5.069 2.264 1.00 0.00 H new ATOM 1281 N ASN A 86 -13.745 -5.346 3.897 1.00 0.00 N ATOM 1282 CA ASN A 86 -14.835 -5.255 4.861 1.00 0.00 C ATOM 1283 C ASN A 86 -15.491 -6.617 5.071 1.00 0.00 C ATOM 1284 O ASN A 86 -15.201 -7.574 4.354 1.00 0.00 O ATOM 1285 CB ASN A 86 -15.879 -4.241 4.388 1.00 0.00 C ATOM 1286 CG ASN A 86 -15.249 -3.024 3.739 1.00 0.00 C ATOM 1287 OD1 ASN A 86 -15.306 -1.919 4.279 1.00 0.00 O ATOM 1288 ND2 ASN A 86 -14.645 -3.222 2.573 1.00 0.00 N ATOM 0 H ASN A 86 -13.966 -5.885 3.060 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.419 -4.921 5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -16.552 -4.721 3.678 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.485 -3.924 5.237 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.204 -2.441 2.088 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.622 -4.155 2.162 1.00 0.00 H new ATOM 1295 N ALA A 87 -16.377 -6.695 6.059 1.00 0.00 N ATOM 1296 CA ALA A 87 -17.076 -7.937 6.361 1.00 0.00 C ATOM 1297 C ALA A 87 -17.768 -8.494 5.121 1.00 0.00 C ATOM 1298 O ALA A 87 -17.760 -9.701 4.884 1.00 0.00 O ATOM 1299 CB ALA A 87 -18.086 -7.716 7.477 1.00 0.00 C ATOM 0 H ALA A 87 -16.627 -5.912 6.663 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.339 -8.668 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.601 -8.652 7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.569 -7.372 8.373 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -18.813 -6.965 7.167 1.00 0.00 H new ATOM 1305 N ALA A 88 -18.366 -7.606 4.334 1.00 0.00 N ATOM 1306 CA ALA A 88 -19.062 -8.009 3.118 1.00 0.00 C ATOM 1307 C ALA A 88 -18.096 -8.624 2.112 1.00 0.00 C ATOM 1308 O ALA A 88 -18.350 -9.699 1.570 1.00 0.00 O ATOM 1309 CB ALA A 88 -19.781 -6.818 2.502 1.00 0.00 C ATOM 0 H ALA A 88 -18.383 -6.603 4.517 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.799 -8.766 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.296 -7.134 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -20.507 -6.424 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.056 -6.042 2.256 1.00 0.00 H new ATOM 1315 N GLY A 89 -16.986 -7.935 1.866 1.00 0.00 N ATOM 1316 CA GLY A 89 -15.999 -8.429 0.924 1.00 0.00 C ATOM 1317 C GLY A 89 -14.800 -7.509 0.803 1.00 0.00 C ATOM 1318 O GLY A 89 -14.125 -7.226 1.792 1.00 0.00 O ATOM 0 H GLY A 89 -16.753 -7.043 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.664 -9.417 1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -16.463 -8.546 -0.055 1.00 0.00 H new ATOM 1322 N ALA A 90 -14.534 -7.043 -0.413 1.00 0.00 N ATOM 1323 CA ALA A 90 -13.409 -6.150 -0.659 1.00 0.00 C ATOM 1324 C ALA A 90 -13.637 -5.312 -1.912 1.00 0.00 C ATOM 1325 O ALA A 90 -14.365 -5.718 -2.817 1.00 0.00 O ATOM 1326 CB ALA A 90 -12.119 -6.947 -0.782 1.00 0.00 C ATOM 0 H ALA A 90 -15.082 -7.269 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 90 -13.324 -5.471 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.287 -6.267 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -11.941 -7.496 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -12.203 -7.650 -1.611 1.00 0.00 H new ATOM 1332 N SER A 91 -13.010 -4.141 -1.958 1.00 0.00 N ATOM 1333 CA SER A 91 -13.149 -3.243 -3.099 1.00 0.00 C ATOM 1334 C SER A 91 -11.900 -3.281 -3.974 1.00 0.00 C ATOM 1335 O SER A 91 -10.879 -3.853 -3.593 1.00 0.00 O ATOM 1336 CB SER A 91 -13.408 -1.813 -2.621 1.00 0.00 C ATOM 1337 OG SER A 91 -14.652 -1.718 -1.949 1.00 0.00 O ATOM 0 H SER A 91 -12.401 -3.792 -1.218 1.00 0.00 H new ATOM 0 HA SER A 91 -13.999 -3.579 -3.694 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.606 -1.498 -1.954 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.399 -1.134 -3.473 1.00 0.00 H new ATOM 0 HG SER A 91 -14.915 -0.777 -1.880 1.00 0.00 H new ATOM 1343 N GLU A 92 -11.990 -2.666 -5.149 1.00 0.00 N ATOM 1344 CA GLU A 92 -10.867 -2.629 -6.079 1.00 0.00 C ATOM 1345 C GLU A 92 -9.683 -1.880 -5.474 1.00 0.00 C ATOM 1346 O GLU A 92 -9.842 -0.885 -4.766 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.286 -1.966 -7.393 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.096 -0.459 -7.403 1.00 0.00 C ATOM 1349 CD GLU A 92 -11.546 0.178 -8.703 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.993 -0.184 -9.763 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -12.450 1.038 -8.661 1.00 0.00 O ATOM 0 H GLU A 92 -12.828 -2.187 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.561 -3.656 -6.279 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.710 -2.402 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.335 -2.193 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.655 -0.021 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.044 -0.228 -7.235 1.00 0.00 H new ATOM 1358 N PRO A 93 -8.467 -2.368 -5.758 1.00 0.00 N ATOM 1359 CA PRO A 93 -7.232 -1.761 -5.253 1.00 0.00 C ATOM 1360 C PRO A 93 -6.946 -0.408 -5.895 1.00 0.00 C ATOM 1361 O PRO A 93 -7.395 -0.129 -7.007 1.00 0.00 O ATOM 1362 CB PRO A 93 -6.153 -2.776 -5.640 1.00 0.00 C ATOM 1363 CG PRO A 93 -6.717 -3.497 -6.816 1.00 0.00 C ATOM 1364 CD PRO A 93 -8.203 -3.551 -6.596 1.00 0.00 C ATOM 0 HA PRO A 93 -7.284 -1.562 -4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.215 -2.281 -5.892 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.941 -3.461 -4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.479 -2.977 -7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.298 -4.500 -6.896 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.751 -3.507 -7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.502 -4.472 -6.096 1.00 0.00 H new ATOM 1372 N LYS A 94 -6.196 0.430 -5.188 1.00 0.00 N ATOM 1373 CA LYS A 94 -5.848 1.755 -5.688 1.00 0.00 C ATOM 1374 C LYS A 94 -4.576 1.702 -6.529 1.00 0.00 C ATOM 1375 O LYS A 94 -3.500 1.382 -6.024 1.00 0.00 O ATOM 1376 CB LYS A 94 -5.662 2.730 -4.524 1.00 0.00 C ATOM 1377 CG LYS A 94 -5.939 4.177 -4.893 1.00 0.00 C ATOM 1378 CD LYS A 94 -4.778 4.789 -5.660 1.00 0.00 C ATOM 1379 CE LYS A 94 -4.881 6.306 -5.710 1.00 0.00 C ATOM 1380 NZ LYS A 94 -3.898 6.898 -6.658 1.00 0.00 N ATOM 0 H LYS A 94 -5.817 0.215 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.666 2.104 -6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.323 2.439 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.641 2.648 -4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.845 4.232 -5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.123 4.755 -3.988 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.838 4.502 -5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.760 4.391 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.890 6.592 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.715 6.714 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.000 7.933 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.934 6.647 -6.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.072 6.528 -7.614 1.00 0.00 H new ATOM 1394 N TYR A 95 -4.708 2.017 -7.813 1.00 0.00 N ATOM 1395 CA TYR A 95 -3.569 2.004 -8.724 1.00 0.00 C ATOM 1396 C TYR A 95 -2.897 3.373 -8.774 1.00 0.00 C ATOM 1397 O TYR A 95 -3.416 4.310 -9.381 1.00 0.00 O ATOM 1398 CB TYR A 95 -4.017 1.591 -10.127 1.00 0.00 C ATOM 1399 CG TYR A 95 -4.169 0.096 -10.298 1.00 0.00 C ATOM 1400 CD1 TYR A 95 -3.076 -0.702 -10.611 1.00 0.00 C ATOM 1401 CD2 TYR A 95 -5.407 -0.517 -10.148 1.00 0.00 C ATOM 1402 CE1 TYR A 95 -3.211 -2.068 -10.769 1.00 0.00 C ATOM 1403 CE2 TYR A 95 -5.551 -1.882 -10.302 1.00 0.00 C ATOM 1404 CZ TYR A 95 -4.450 -2.653 -10.613 1.00 0.00 C ATOM 1405 OH TYR A 95 -4.589 -4.013 -10.769 1.00 0.00 O ATOM 0 H TYR A 95 -5.592 2.284 -8.246 1.00 0.00 H new ATOM 0 HA TYR A 95 -2.846 1.278 -8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.969 2.073 -10.352 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.293 1.960 -10.854 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.104 -0.247 -10.733 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.271 0.084 -9.907 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.351 -2.674 -11.013 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.520 -2.343 -10.180 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.525 -4.265 -10.625 1.00 0.00 H new ATOM 1415 N TYR A 96 -1.738 3.479 -8.134 1.00 0.00 N ATOM 1416 CA TYR A 96 -0.994 4.732 -8.104 1.00 0.00 C ATOM 1417 C TYR A 96 -0.596 5.164 -9.512 1.00 0.00 C ATOM 1418 O TYR A 96 -0.722 4.398 -10.467 1.00 0.00 O ATOM 1419 CB TYR A 96 0.254 4.588 -7.232 1.00 0.00 C ATOM 1420 CG TYR A 96 0.898 5.908 -6.872 1.00 0.00 C ATOM 1421 CD1 TYR A 96 1.857 6.483 -7.697 1.00 0.00 C ATOM 1422 CD2 TYR A 96 0.547 6.580 -5.708 1.00 0.00 C ATOM 1423 CE1 TYR A 96 2.448 7.689 -7.372 1.00 0.00 C ATOM 1424 CE2 TYR A 96 1.132 7.786 -5.375 1.00 0.00 C ATOM 1425 CZ TYR A 96 2.082 8.337 -6.210 1.00 0.00 C ATOM 1426 OH TYR A 96 2.668 9.538 -5.884 1.00 0.00 O ATOM 0 H TYR A 96 -1.294 2.712 -7.629 1.00 0.00 H new ATOM 0 HA TYR A 96 -1.641 5.498 -7.677 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -0.012 4.062 -6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 96 0.983 3.969 -7.755 1.00 0.00 H new ATOM 0 HD1 TYR A 96 2.145 5.979 -8.608 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -0.196 6.152 -5.052 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.192 8.122 -8.024 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.847 8.295 -4.466 1.00 0.00 H new ATOM 0 HH TYR A 96 2.299 9.863 -5.036 1.00 0.00 H new ATOM 1436 N SER A 97 -0.115 6.397 -9.632 1.00 0.00 N ATOM 1437 CA SER A 97 0.298 6.934 -10.923 1.00 0.00 C ATOM 1438 C SER A 97 1.516 6.187 -11.458 1.00 0.00 C ATOM 1439 O SER A 97 1.409 5.392 -12.391 1.00 0.00 O ATOM 1440 CB SER A 97 0.614 8.426 -10.802 1.00 0.00 C ATOM 1441 OG SER A 97 1.111 8.944 -12.024 1.00 0.00 O ATOM 0 H SER A 97 -0.002 7.043 -8.851 1.00 0.00 H new ATOM 0 HA SER A 97 -0.526 6.800 -11.624 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.286 8.969 -10.513 1.00 0.00 H new ATOM 0 HB3 SER A 97 1.348 8.582 -10.012 1.00 0.00 H new ATOM 0 HG SER A 97 1.303 9.899 -11.920 1.00 0.00 H new ATOM 1447 N GLN A 98 2.673 6.449 -10.858 1.00 0.00 N ATOM 1448 CA GLN A 98 3.912 5.802 -11.274 1.00 0.00 C ATOM 1449 C GLN A 98 4.447 4.893 -10.172 1.00 0.00 C ATOM 1450 O GLN A 98 4.078 5.009 -9.004 1.00 0.00 O ATOM 1451 CB GLN A 98 4.962 6.852 -11.640 1.00 0.00 C ATOM 1452 CG GLN A 98 4.931 7.258 -13.104 1.00 0.00 C ATOM 1453 CD GLN A 98 6.211 7.939 -13.549 1.00 0.00 C ATOM 1454 OE1 GLN A 98 6.493 9.072 -13.157 1.00 0.00 O ATOM 1455 NE2 GLN A 98 6.994 7.251 -14.371 1.00 0.00 N ATOM 0 H GLN A 98 2.778 7.104 -10.083 1.00 0.00 H new ATOM 0 HA GLN A 98 3.698 5.192 -12.151 1.00 0.00 H new ATOM 0 HB2 GLN A 98 4.809 7.737 -11.023 1.00 0.00 H new ATOM 0 HB3 GLN A 98 5.952 6.463 -11.400 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.762 6.374 -13.719 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.089 7.929 -13.273 1.00 0.00 H new ATOM 0 HE21 GLN A 98 6.721 6.315 -14.671 1.00 0.00 H new ATOM 0 HE22 GLN A 98 7.868 7.658 -14.703 1.00 0.00 H new ATOM 1464 N PRO A 99 5.339 3.965 -10.552 1.00 0.00 N ATOM 1465 CA PRO A 99 5.944 3.018 -9.611 1.00 0.00 C ATOM 1466 C PRO A 99 6.913 3.696 -8.648 1.00 0.00 C ATOM 1467 O PRO A 99 7.603 4.647 -9.015 1.00 0.00 O ATOM 1468 CB PRO A 99 6.692 2.041 -10.522 1.00 0.00 C ATOM 1469 CG PRO A 99 6.979 2.821 -11.758 1.00 0.00 C ATOM 1470 CD PRO A 99 5.824 3.769 -11.928 1.00 0.00 C ATOM 0 HA PRO A 99 5.197 2.543 -8.975 1.00 0.00 H new ATOM 0 HB2 PRO A 99 7.611 1.688 -10.054 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.087 1.161 -10.741 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.919 3.364 -11.667 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.074 2.163 -12.622 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.139 4.709 -12.381 1.00 0.00 H new ATOM 0 HD3 PRO A 99 5.050 3.349 -12.571 1.00 0.00 H new ATOM 1478 N ILE A 100 6.959 3.200 -7.416 1.00 0.00 N ATOM 1479 CA ILE A 100 7.845 3.758 -6.402 1.00 0.00 C ATOM 1480 C ILE A 100 9.232 3.127 -6.475 1.00 0.00 C ATOM 1481 O ILE A 100 9.374 1.952 -6.818 1.00 0.00 O ATOM 1482 CB ILE A 100 7.276 3.556 -4.985 1.00 0.00 C ATOM 1483 CG1 ILE A 100 5.840 4.077 -4.910 1.00 0.00 C ATOM 1484 CG2 ILE A 100 8.153 4.256 -3.958 1.00 0.00 C ATOM 1485 CD1 ILE A 100 4.814 3.099 -5.441 1.00 0.00 C ATOM 0 H ILE A 100 6.394 2.414 -7.096 1.00 0.00 H new ATOM 0 HA ILE A 100 7.923 4.826 -6.605 1.00 0.00 H new ATOM 0 HB ILE A 100 7.268 2.489 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.602 4.314 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.770 5.007 -5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.738 4.104 -2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.161 3.843 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.189 5.323 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.818 3.535 -5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.027 2.880 -6.487 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.857 2.177 -4.862 1.00 0.00 H new ATOM 1497 N LEU A 101 10.251 3.913 -6.150 1.00 0.00 N ATOM 1498 CA LEU A 101 11.628 3.431 -6.177 1.00 0.00 C ATOM 1499 C LEU A 101 12.261 3.514 -4.792 1.00 0.00 C ATOM 1500 O LEU A 101 12.436 4.601 -4.241 1.00 0.00 O ATOM 1501 CB LEU A 101 12.454 4.243 -7.177 1.00 0.00 C ATOM 1502 CG LEU A 101 13.968 4.043 -7.115 1.00 0.00 C ATOM 1503 CD1 LEU A 101 14.363 2.741 -7.796 1.00 0.00 C ATOM 1504 CD2 LEU A 101 14.689 5.221 -7.755 1.00 0.00 C ATOM 0 H LEU A 101 10.151 4.887 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 101 11.615 2.387 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 101 12.116 3.995 -8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 101 12.241 5.300 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 101 14.265 3.987 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.444 2.616 -7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.875 1.905 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.053 2.768 -8.841 1.00 0.00 H new ATOM 0 HD21 LEU A 101 15.766 5.061 -7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.387 5.309 -8.798 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.432 6.137 -7.224 1.00 0.00 H new ATOM 1516 N VAL A 102 12.604 2.357 -4.234 1.00 0.00 N ATOM 1517 CA VAL A 102 13.221 2.298 -2.914 1.00 0.00 C ATOM 1518 C VAL A 102 14.570 3.008 -2.906 1.00 0.00 C ATOM 1519 O VAL A 102 15.619 2.375 -3.035 1.00 0.00 O ATOM 1520 CB VAL A 102 13.417 0.842 -2.451 1.00 0.00 C ATOM 1521 CG1 VAL A 102 14.331 0.094 -3.409 1.00 0.00 C ATOM 1522 CG2 VAL A 102 13.970 0.804 -1.034 1.00 0.00 C ATOM 0 H VAL A 102 12.465 1.448 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 102 12.544 2.803 -2.225 1.00 0.00 H new ATOM 0 HB VAL A 102 12.447 0.345 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 102 14.457 -0.933 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 102 13.889 0.091 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 102 15.303 0.587 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 102 14.102 -0.232 -0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 102 14.931 1.317 -1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 102 13.273 1.300 -0.358 1.00 0.00 H new ATOM 1532 N LYS A 103 14.537 4.327 -2.752 1.00 0.00 N ATOM 1533 CA LYS A 103 15.757 5.125 -2.725 1.00 0.00 C ATOM 1534 C LYS A 103 15.659 6.233 -1.681 1.00 0.00 C ATOM 1535 O LYS A 103 14.662 6.952 -1.618 1.00 0.00 O ATOM 1536 CB LYS A 103 16.025 5.732 -4.104 1.00 0.00 C ATOM 1537 CG LYS A 103 17.403 6.358 -4.236 1.00 0.00 C ATOM 1538 CD LYS A 103 18.445 5.330 -4.644 1.00 0.00 C ATOM 1539 CE LYS A 103 19.575 5.968 -5.438 1.00 0.00 C ATOM 1540 NZ LYS A 103 20.794 5.112 -5.454 1.00 0.00 N ATOM 0 H LYS A 103 13.678 4.866 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 103 16.585 4.469 -2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 103 15.914 4.956 -4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 103 15.270 6.490 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 103 17.371 7.158 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 103 17.690 6.812 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 103 18.851 4.848 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 103 17.974 4.550 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 103 19.244 6.147 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 103 19.819 6.939 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 21.541 5.582 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 21.125 4.961 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 20.568 4.195 -5.889 1.00 0.00 H new ATOM 1554 N GLU A 104 16.700 6.365 -0.865 1.00 0.00 N ATOM 1555 CA GLU A 104 16.730 7.387 0.175 1.00 0.00 C ATOM 1556 C GLU A 104 16.738 8.785 -0.436 1.00 0.00 C ATOM 1557 O GLU A 104 17.105 8.965 -1.597 1.00 0.00 O ATOM 1558 CB GLU A 104 17.959 7.202 1.068 1.00 0.00 C ATOM 1559 CG GLU A 104 17.886 7.976 2.373 1.00 0.00 C ATOM 1560 CD GLU A 104 19.138 7.823 3.213 1.00 0.00 C ATOM 1561 OE1 GLU A 104 20.099 8.590 2.989 1.00 0.00 O ATOM 1562 OE2 GLU A 104 19.159 6.938 4.094 1.00 0.00 O ATOM 0 H GLU A 104 17.533 5.778 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 104 15.830 7.279 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 104 18.079 6.142 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.847 7.515 0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.725 9.032 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.024 7.634 2.946 1.00 0.00 H new