USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 CYS SG : rot -72:sc= 0.123 USER MOD Set 1.2: A 15 ASN : amide:sc= -0.569 K(o=-0.45,f=-2.3!) 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot -50:sc= 0.63 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 175:sc= -0.965 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN :FLIP amide:sc= -0.908 F(o=-2.2!,f=-0.91) USER MOD Single : A 28 LYS NZ :NH3+ 130:sc= -0.247 (180deg=-1.03) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.63) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.873 F(o=-1.9!,f=-0.87) USER MOD Single : A 51 SER OG : rot -8:sc= 0.0422 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.610 -6.583 3.843 1.00 0.00 N ATOM 2 CA GLY A 1 -22.243 -6.810 4.273 1.00 0.00 C ATOM 3 C GLY A 1 -21.637 -8.050 3.646 1.00 0.00 C ATOM 4 O GLY A 1 -21.637 -9.123 4.250 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.979 -5.724 4.299 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.634 -6.464 2.810 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.198 -7.398 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.635 -5.942 4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.218 -6.906 5.358 1.00 0.00 H new ATOM 8 N SER A 2 -21.120 -7.905 2.431 1.00 0.00 N ATOM 9 CA SER A 2 -20.512 -9.024 1.719 1.00 0.00 C ATOM 10 C SER A 2 -19.167 -9.393 2.336 1.00 0.00 C ATOM 11 O SER A 2 -18.917 -10.555 2.656 1.00 0.00 O ATOM 12 CB SER A 2 -20.331 -8.677 0.240 1.00 0.00 C ATOM 13 OG SER A 2 -21.582 -8.502 -0.400 1.00 0.00 O ATOM 0 H SER A 2 -21.110 -7.023 1.918 1.00 0.00 H new ATOM 0 HA SER A 2 -21.178 -9.882 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.741 -7.765 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.773 -9.470 -0.257 1.00 0.00 H new ATOM 0 HG SER A 2 -21.438 -8.279 -1.344 1.00 0.00 H new ATOM 19 N SER A 3 -18.303 -8.396 2.499 1.00 0.00 N ATOM 20 CA SER A 3 -16.981 -8.616 3.073 1.00 0.00 C ATOM 21 C SER A 3 -17.089 -9.220 4.469 1.00 0.00 C ATOM 22 O SER A 3 -18.122 -9.109 5.128 1.00 0.00 O ATOM 23 CB SER A 3 -16.203 -7.299 3.134 1.00 0.00 C ATOM 24 OG SER A 3 -14.828 -7.531 3.387 1.00 0.00 O ATOM 0 H SER A 3 -18.495 -7.428 2.242 1.00 0.00 H new ATOM 0 HA SER A 3 -16.446 -9.317 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.317 -6.761 2.193 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.618 -6.664 3.916 1.00 0.00 H new ATOM 0 HG SER A 3 -14.352 -6.675 3.420 1.00 0.00 H new ATOM 30 N GLY A 4 -16.013 -9.862 4.915 1.00 0.00 N ATOM 31 CA GLY A 4 -16.006 -10.476 6.230 1.00 0.00 C ATOM 32 C GLY A 4 -14.784 -10.094 7.041 1.00 0.00 C ATOM 33 O GLY A 4 -14.188 -10.937 7.712 1.00 0.00 O ATOM 0 H GLY A 4 -15.146 -9.968 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.905 -10.179 6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.042 -11.560 6.122 1.00 0.00 H new ATOM 37 N SER A 5 -14.409 -8.821 6.980 1.00 0.00 N ATOM 38 CA SER A 5 -13.246 -8.330 7.711 1.00 0.00 C ATOM 39 C SER A 5 -11.967 -8.985 7.199 1.00 0.00 C ATOM 40 O SER A 5 -11.081 -9.335 7.979 1.00 0.00 O ATOM 41 CB SER A 5 -13.408 -8.600 9.208 1.00 0.00 C ATOM 42 OG SER A 5 -12.351 -8.014 9.949 1.00 0.00 O ATOM 0 H SER A 5 -14.893 -8.110 6.432 1.00 0.00 H new ATOM 0 HA SER A 5 -13.172 -7.255 7.549 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.362 -8.201 9.552 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.429 -9.675 9.387 1.00 0.00 H new ATOM 0 HG SER A 5 -11.492 -8.268 9.550 1.00 0.00 H new ATOM 48 N SER A 6 -11.878 -9.148 5.883 1.00 0.00 N ATOM 49 CA SER A 6 -10.710 -9.765 5.266 1.00 0.00 C ATOM 50 C SER A 6 -10.323 -9.034 3.984 1.00 0.00 C ATOM 51 O SER A 6 -11.153 -8.380 3.355 1.00 0.00 O ATOM 52 CB SER A 6 -10.985 -11.239 4.963 1.00 0.00 C ATOM 53 OG SER A 6 -9.776 -11.963 4.812 1.00 0.00 O ATOM 0 H SER A 6 -12.601 -8.861 5.223 1.00 0.00 H new ATOM 0 HA SER A 6 -9.880 -9.695 5.968 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.575 -11.675 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.578 -11.322 4.052 1.00 0.00 H new ATOM 0 HG SER A 6 -9.979 -12.902 4.621 1.00 0.00 H new ATOM 59 N GLY A 7 -9.055 -9.152 3.603 1.00 0.00 N ATOM 60 CA GLY A 7 -8.579 -8.498 2.398 1.00 0.00 C ATOM 61 C GLY A 7 -7.067 -8.506 2.292 1.00 0.00 C ATOM 62 O GLY A 7 -6.356 -8.716 3.275 1.00 0.00 O ATOM 0 H GLY A 7 -8.349 -9.689 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.004 -8.996 1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.936 -7.468 2.382 1.00 0.00 H new ATOM 66 N PRO A 8 -6.553 -8.273 1.075 1.00 0.00 N ATOM 67 CA PRO A 8 -5.111 -8.251 0.816 1.00 0.00 C ATOM 68 C PRO A 8 -4.428 -7.040 1.442 1.00 0.00 C ATOM 69 O PRO A 8 -5.045 -5.989 1.617 1.00 0.00 O ATOM 70 CB PRO A 8 -5.026 -8.182 -0.711 1.00 0.00 C ATOM 71 CG PRO A 8 -6.310 -7.555 -1.134 1.00 0.00 C ATOM 72 CD PRO A 8 -7.342 -8.014 -0.141 1.00 0.00 C ATOM 0 HA PRO A 8 -4.607 -9.116 1.246 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.171 -7.588 -1.033 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.908 -9.174 -1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.230 -6.468 -1.140 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.579 -7.860 -2.145 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.103 -7.253 0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.859 -8.911 -0.484 1.00 0.00 H new ATOM 80 N ARG A 9 -3.152 -7.194 1.778 1.00 0.00 N ATOM 81 CA ARG A 9 -2.386 -6.113 2.386 1.00 0.00 C ATOM 82 C ARG A 9 -1.023 -5.967 1.715 1.00 0.00 C ATOM 83 O ARG A 9 -0.620 -6.812 0.916 1.00 0.00 O ATOM 84 CB ARG A 9 -2.203 -6.367 3.884 1.00 0.00 C ATOM 85 CG ARG A 9 -3.512 -6.426 4.655 1.00 0.00 C ATOM 86 CD ARG A 9 -3.272 -6.480 6.156 1.00 0.00 C ATOM 87 NE ARG A 9 -2.790 -7.790 6.587 1.00 0.00 N ATOM 88 CZ ARG A 9 -3.531 -8.892 6.556 1.00 0.00 C ATOM 89 NH1 ARG A 9 -4.781 -8.842 6.118 1.00 0.00 N ATOM 90 NH2 ARG A 9 -3.022 -10.047 6.965 1.00 0.00 N ATOM 0 H ARG A 9 -2.626 -8.057 1.639 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.942 -5.186 2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.667 -7.306 4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.579 -5.579 4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.118 -5.553 4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.079 -7.303 4.344 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.545 -5.717 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.198 -6.244 6.680 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.832 -7.862 6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.176 -7.956 5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.348 -9.690 6.095 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.061 -10.089 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.592 -10.893 6.941 1.00 0.00 H new ATOM 104 N ALA A 10 -0.319 -4.889 2.044 1.00 0.00 N ATOM 105 CA ALA A 10 0.998 -4.634 1.474 1.00 0.00 C ATOM 106 C ALA A 10 1.954 -4.083 2.527 1.00 0.00 C ATOM 107 O ALA A 10 1.531 -3.452 3.496 1.00 0.00 O ATOM 108 CB ALA A 10 0.888 -3.670 0.302 1.00 0.00 C ATOM 0 H ALA A 10 -0.639 -4.178 2.702 1.00 0.00 H new ATOM 0 HA ALA A 10 1.401 -5.581 1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.879 -3.488 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.246 -4.102 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.460 -2.728 0.645 1.00 0.00 H new ATOM 114 N LYS A 11 3.246 -4.325 2.331 1.00 0.00 N ATOM 115 CA LYS A 11 4.263 -3.853 3.262 1.00 0.00 C ATOM 116 C LYS A 11 5.190 -2.845 2.591 1.00 0.00 C ATOM 117 O LYS A 11 5.675 -3.076 1.483 1.00 0.00 O ATOM 118 CB LYS A 11 5.077 -5.031 3.801 1.00 0.00 C ATOM 119 CG LYS A 11 6.171 -4.622 4.772 1.00 0.00 C ATOM 120 CD LYS A 11 6.748 -5.824 5.501 1.00 0.00 C ATOM 121 CE LYS A 11 7.899 -5.424 6.411 1.00 0.00 C ATOM 122 NZ LYS A 11 8.175 -6.461 7.444 1.00 0.00 N ATOM 0 H LYS A 11 3.613 -4.846 1.535 1.00 0.00 H new ATOM 0 HA LYS A 11 3.758 -3.359 4.092 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.404 -5.729 4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.527 -5.564 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.965 -4.108 4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.769 -3.914 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.966 -6.303 6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.095 -6.559 4.775 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.795 -5.260 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.664 -4.478 6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.966 -6.151 8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.328 -6.600 8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.424 -7.357 6.979 1.00 0.00 H new ATOM 136 N ALA A 12 5.434 -1.728 3.269 1.00 0.00 N ATOM 137 CA ALA A 12 6.306 -0.687 2.738 1.00 0.00 C ATOM 138 C ALA A 12 7.745 -1.181 2.627 1.00 0.00 C ATOM 139 O ALA A 12 8.244 -1.876 3.513 1.00 0.00 O ATOM 140 CB ALA A 12 6.239 0.555 3.615 1.00 0.00 C ATOM 0 H ALA A 12 5.040 -1.521 4.187 1.00 0.00 H new ATOM 0 HA ALA A 12 5.958 -0.431 1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.895 1.324 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.215 0.927 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.559 0.304 4.626 1.00 0.00 H new ATOM 146 N LEU A 13 8.406 -0.819 1.533 1.00 0.00 N ATOM 147 CA LEU A 13 9.788 -1.226 1.305 1.00 0.00 C ATOM 148 C LEU A 13 10.729 -0.028 1.389 1.00 0.00 C ATOM 149 O LEU A 13 11.951 -0.183 1.360 1.00 0.00 O ATOM 150 CB LEU A 13 9.923 -1.900 -0.062 1.00 0.00 C ATOM 151 CG LEU A 13 8.951 -3.046 -0.344 1.00 0.00 C ATOM 152 CD1 LEU A 13 8.947 -3.391 -1.825 1.00 0.00 C ATOM 153 CD2 LEU A 13 9.312 -4.268 0.489 1.00 0.00 C ATOM 0 H LEU A 13 8.007 -0.245 0.790 1.00 0.00 H new ATOM 0 HA LEU A 13 10.065 -1.938 2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.792 -1.141 -0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.940 -2.281 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 13 7.948 -2.723 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.249 -4.209 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.640 -2.518 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.948 -3.694 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.610 -5.074 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.323 -4.592 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.262 -4.014 1.548 1.00 0.00 H new ATOM 165 N CYS A 14 10.153 1.164 1.495 1.00 0.00 N ATOM 166 CA CYS A 14 10.940 2.388 1.585 1.00 0.00 C ATOM 167 C CYS A 14 10.095 3.541 2.117 1.00 0.00 C ATOM 168 O CYS A 14 8.877 3.424 2.241 1.00 0.00 O ATOM 169 CB CYS A 14 11.515 2.752 0.215 1.00 0.00 C ATOM 170 SG CYS A 14 13.077 3.658 0.286 1.00 0.00 S ATOM 0 H CYS A 14 9.144 1.309 1.521 1.00 0.00 H new ATOM 0 HA CYS A 14 11.761 2.212 2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.664 1.837 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.784 3.352 -0.326 1.00 0.00 H new ATOM 0 HG CYS A 14 12.858 4.869 0.706 1.00 0.00 H new ATOM 176 N ASN A 15 10.751 4.653 2.433 1.00 0.00 N ATOM 177 CA ASN A 15 10.060 5.826 2.955 1.00 0.00 C ATOM 178 C ASN A 15 9.245 6.509 1.860 1.00 0.00 C ATOM 179 O ASN A 15 9.798 7.000 0.876 1.00 0.00 O ATOM 180 CB ASN A 15 11.065 6.814 3.550 1.00 0.00 C ATOM 181 CG ASN A 15 11.893 7.508 2.485 1.00 0.00 C ATOM 182 OD1 ASN A 15 12.581 6.860 1.697 1.00 0.00 O ATOM 183 ND2 ASN A 15 11.828 8.834 2.458 1.00 0.00 N ATOM 0 H ASN A 15 11.760 4.766 2.337 1.00 0.00 H new ATOM 0 HA ASN A 15 9.378 5.496 3.739 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.531 7.562 4.136 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.728 6.286 4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.362 9.357 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.244 9.330 3.131 1.00 0.00 H new ATOM 190 N TYR A 16 7.930 6.538 2.040 1.00 0.00 N ATOM 191 CA TYR A 16 7.038 7.159 1.068 1.00 0.00 C ATOM 192 C TYR A 16 6.339 8.375 1.669 1.00 0.00 C ATOM 193 O TYR A 16 5.421 8.935 1.070 1.00 0.00 O ATOM 194 CB TYR A 16 5.999 6.149 0.579 1.00 0.00 C ATOM 195 CG TYR A 16 5.554 6.381 -0.847 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.227 5.792 -1.911 1.00 0.00 C ATOM 197 CD2 TYR A 16 4.459 7.188 -1.131 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.823 6.002 -3.215 1.00 0.00 C ATOM 199 CE2 TYR A 16 4.047 7.403 -2.432 1.00 0.00 C ATOM 200 CZ TYR A 16 4.733 6.808 -3.471 1.00 0.00 C ATOM 201 OH TYR A 16 4.327 7.019 -4.769 1.00 0.00 O ATOM 0 H TYR A 16 7.457 6.138 2.851 1.00 0.00 H new ATOM 0 HA TYR A 16 7.639 7.490 0.221 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.414 5.144 0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.128 6.190 1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.080 5.160 -1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.920 7.656 -0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.358 5.537 -4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.193 8.033 -2.635 1.00 0.00 H new ATOM 0 HH TYR A 16 3.495 7.536 -4.771 1.00 0.00 H new ATOM 211 N ARG A 17 6.781 8.777 2.856 1.00 0.00 N ATOM 212 CA ARG A 17 6.198 9.925 3.539 1.00 0.00 C ATOM 213 C ARG A 17 6.759 11.231 2.982 1.00 0.00 C ATOM 214 O ARG A 17 6.886 12.220 3.702 1.00 0.00 O ATOM 215 CB ARG A 17 6.468 9.842 5.042 1.00 0.00 C ATOM 216 CG ARG A 17 5.381 10.479 5.892 1.00 0.00 C ATOM 217 CD ARG A 17 5.647 11.959 6.119 1.00 0.00 C ATOM 218 NE ARG A 17 4.915 12.477 7.271 1.00 0.00 N ATOM 219 CZ ARG A 17 5.292 13.548 7.960 1.00 0.00 C ATOM 220 NH1 ARG A 17 6.386 14.212 7.615 1.00 0.00 N ATOM 221 NH2 ARG A 17 4.573 13.958 8.998 1.00 0.00 N ATOM 0 H ARG A 17 7.541 8.325 3.364 1.00 0.00 H new ATOM 0 HA ARG A 17 5.121 9.910 3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.573 8.795 5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.419 10.328 5.259 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.415 10.353 5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.322 9.967 6.853 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.715 12.116 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.363 12.519 5.228 1.00 0.00 H new ATOM 0 HE ARG A 17 4.068 11.990 7.563 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.941 13.901 6.818 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.672 15.034 8.146 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.730 13.450 9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.863 14.781 9.527 1.00 0.00 H new ATOM 235 N GLY A 18 7.094 11.224 1.695 1.00 0.00 N ATOM 236 CA GLY A 18 7.637 12.413 1.064 1.00 0.00 C ATOM 237 C GLY A 18 6.557 13.323 0.514 1.00 0.00 C ATOM 238 O GLY A 18 5.474 13.434 1.091 1.00 0.00 O ATOM 0 H GLY A 18 6.999 10.417 1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.237 12.963 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.306 12.118 0.255 1.00 0.00 H new ATOM 242 N LYS A 19 6.850 13.978 -0.604 1.00 0.00 N ATOM 243 CA LYS A 19 5.896 14.884 -1.233 1.00 0.00 C ATOM 244 C LYS A 19 5.529 14.401 -2.633 1.00 0.00 C ATOM 245 O LYS A 19 6.344 14.459 -3.552 1.00 0.00 O ATOM 246 CB LYS A 19 6.476 16.298 -1.305 1.00 0.00 C ATOM 247 CG LYS A 19 7.744 16.394 -2.136 1.00 0.00 C ATOM 248 CD LYS A 19 8.644 17.519 -1.652 1.00 0.00 C ATOM 249 CE LYS A 19 9.355 17.147 -0.360 1.00 0.00 C ATOM 250 NZ LYS A 19 10.269 18.229 0.101 1.00 0.00 N ATOM 0 H LYS A 19 7.741 13.898 -1.094 1.00 0.00 H new ATOM 0 HA LYS A 19 4.992 14.900 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.726 16.969 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.687 16.647 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.284 15.448 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.483 16.559 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.381 17.753 -2.420 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.050 18.420 -1.496 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.616 16.941 0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.924 16.230 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.735 17.937 0.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.989 18.409 -0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.722 19.098 0.269 1.00 0.00 H new ATOM 264 N ASN A 20 4.297 13.927 -2.786 1.00 0.00 N ATOM 265 CA ASN A 20 3.823 13.435 -4.074 1.00 0.00 C ATOM 266 C ASN A 20 2.458 14.028 -4.413 1.00 0.00 C ATOM 267 O ASN A 20 1.672 14.382 -3.535 1.00 0.00 O ATOM 268 CB ASN A 20 3.739 11.908 -4.061 1.00 0.00 C ATOM 269 CG ASN A 20 5.040 11.253 -4.484 1.00 0.00 C ATOM 270 OD1 ASN A 20 6.084 11.442 -3.684 1.00 0.00 O flip ATOM 271 ND2 ASN A 20 5.106 10.587 -5.516 1.00 0.00 N flip ATOM 0 H ASN A 20 3.609 13.873 -2.035 1.00 0.00 H new ATOM 0 HA ASN A 20 4.535 13.746 -4.838 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.474 11.570 -3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.939 11.585 -4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.278 10.468 -6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.988 10.153 -5.788 1.00 0.00 H new ATOM 278 N PRO A 21 2.169 14.138 -5.719 1.00 0.00 N ATOM 279 CA PRO A 21 0.899 14.686 -6.204 1.00 0.00 C ATOM 280 C PRO A 21 -0.278 13.759 -5.921 1.00 0.00 C ATOM 281 O PRO A 21 -0.387 12.682 -6.505 1.00 0.00 O ATOM 282 CB PRO A 21 1.124 14.820 -7.712 1.00 0.00 C ATOM 283 CG PRO A 21 2.169 13.807 -8.031 1.00 0.00 C ATOM 284 CD PRO A 21 3.059 13.736 -6.820 1.00 0.00 C ATOM 0 HA PRO A 21 0.645 15.625 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.206 14.630 -8.268 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.454 15.825 -7.975 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.720 12.837 -8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.736 14.096 -8.916 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.455 12.731 -6.670 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.914 14.405 -6.910 1.00 0.00 H new ATOM 292 N GLY A 22 -1.159 14.186 -5.022 1.00 0.00 N ATOM 293 CA GLY A 22 -2.317 13.382 -4.678 1.00 0.00 C ATOM 294 C GLY A 22 -1.969 11.921 -4.476 1.00 0.00 C ATOM 295 O GLY A 22 -2.587 11.040 -5.075 1.00 0.00 O ATOM 0 H GLY A 22 -1.092 15.075 -4.526 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.770 13.774 -3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.063 13.469 -5.468 1.00 0.00 H new ATOM 299 N ASP A 23 -0.977 11.662 -3.632 1.00 0.00 N ATOM 300 CA ASP A 23 -0.547 10.297 -3.353 1.00 0.00 C ATOM 301 C ASP A 23 -0.740 9.956 -1.879 1.00 0.00 C ATOM 302 O ASP A 23 -1.215 10.781 -1.097 1.00 0.00 O ATOM 303 CB ASP A 23 0.920 10.111 -3.744 1.00 0.00 C ATOM 304 CG ASP A 23 1.089 9.765 -5.210 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.682 10.580 -6.063 1.00 0.00 O ATOM 306 OD2 ASP A 23 1.628 8.677 -5.505 1.00 0.00 O ATOM 0 H ASP A 23 -0.455 12.380 -3.129 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.162 9.621 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.470 11.026 -3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.358 9.321 -3.134 1.00 0.00 H new ATOM 311 N LEU A 24 -0.370 8.736 -1.505 1.00 0.00 N ATOM 312 CA LEU A 24 -0.503 8.286 -0.124 1.00 0.00 C ATOM 313 C LEU A 24 0.856 8.238 0.567 1.00 0.00 C ATOM 314 O LEU A 24 1.775 7.558 0.109 1.00 0.00 O ATOM 315 CB LEU A 24 -1.159 6.905 -0.078 1.00 0.00 C ATOM 316 CG LEU A 24 -1.783 6.502 1.259 1.00 0.00 C ATOM 317 CD1 LEU A 24 -2.807 5.396 1.058 1.00 0.00 C ATOM 318 CD2 LEU A 24 -0.705 6.063 2.239 1.00 0.00 C ATOM 0 H LEU A 24 0.024 8.041 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.134 9.000 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.934 6.867 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.410 6.160 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.294 7.370 1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.240 5.122 2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.595 5.747 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.321 4.525 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.167 5.780 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.166 5.209 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.009 6.885 2.407 1.00 0.00 H new ATOM 330 N LYS A 25 0.978 8.964 1.673 1.00 0.00 N ATOM 331 CA LYS A 25 2.223 9.003 2.431 1.00 0.00 C ATOM 332 C LYS A 25 2.289 7.851 3.428 1.00 0.00 C ATOM 333 O LYS A 25 1.406 7.696 4.272 1.00 0.00 O ATOM 334 CB LYS A 25 2.354 10.338 3.167 1.00 0.00 C ATOM 335 CG LYS A 25 2.499 11.532 2.241 1.00 0.00 C ATOM 336 CD LYS A 25 2.196 12.836 2.960 1.00 0.00 C ATOM 337 CE LYS A 25 2.030 13.988 1.980 1.00 0.00 C ATOM 338 NZ LYS A 25 1.932 15.300 2.678 1.00 0.00 N ATOM 0 H LYS A 25 0.229 9.534 2.065 1.00 0.00 H new ATOM 0 HA LYS A 25 3.050 8.900 1.729 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.477 10.483 3.798 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.219 10.295 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.513 11.563 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.825 11.419 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.286 12.725 3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.002 13.064 3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.876 14.005 1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.134 13.828 1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.820 16.059 1.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.110 15.294 3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.797 15.465 3.231 1.00 0.00 H new ATOM 352 N PHE A 26 3.341 7.046 3.327 1.00 0.00 N ATOM 353 CA PHE A 26 3.523 5.908 4.221 1.00 0.00 C ATOM 354 C PHE A 26 4.998 5.711 4.558 1.00 0.00 C ATOM 355 O PHE A 26 5.878 6.166 3.829 1.00 0.00 O ATOM 356 CB PHE A 26 2.960 4.636 3.583 1.00 0.00 C ATOM 357 CG PHE A 26 3.596 4.294 2.265 1.00 0.00 C ATOM 358 CD1 PHE A 26 3.096 4.818 1.084 1.00 0.00 C ATOM 359 CD2 PHE A 26 4.693 3.451 2.209 1.00 0.00 C ATOM 360 CE1 PHE A 26 3.679 4.504 -0.130 1.00 0.00 C ATOM 361 CE2 PHE A 26 5.280 3.134 0.999 1.00 0.00 C ATOM 362 CZ PHE A 26 4.773 3.662 -0.172 1.00 0.00 C ATOM 0 H PHE A 26 4.081 7.160 2.635 1.00 0.00 H new ATOM 0 HA PHE A 26 2.982 6.114 5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.098 3.802 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.886 4.756 3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.242 5.479 1.112 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.095 3.036 3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.279 4.917 -1.044 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.134 2.474 0.969 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.231 3.417 -1.119 1.00 0.00 H new ATOM 372 N ASN A 27 5.258 5.031 5.670 1.00 0.00 N ATOM 373 CA ASN A 27 6.626 4.774 6.106 1.00 0.00 C ATOM 374 C ASN A 27 6.993 3.306 5.911 1.00 0.00 C ATOM 375 O ASN A 27 6.128 2.467 5.659 1.00 0.00 O ATOM 376 CB ASN A 27 6.797 5.164 7.575 1.00 0.00 C ATOM 377 CG ASN A 27 7.223 6.610 7.744 1.00 0.00 C ATOM 378 OD1 ASN A 27 6.446 7.525 7.177 1.00 0.00 O flip ATOM 379 ND2 ASN A 27 8.238 6.899 8.378 1.00 0.00 N flip ATOM 0 H ASN A 27 4.540 4.648 6.285 1.00 0.00 H new ATOM 0 HA ASN A 27 7.295 5.381 5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.858 5.001 8.103 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.539 4.513 8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.805 6.162 8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.512 7.876 8.485 1.00 0.00 H new ATOM 386 N LYS A 28 8.281 3.003 6.031 1.00 0.00 N ATOM 387 CA LYS A 28 8.764 1.636 5.871 1.00 0.00 C ATOM 388 C LYS A 28 8.061 0.694 6.843 1.00 0.00 C ATOM 389 O LYS A 28 7.750 1.069 7.972 1.00 0.00 O ATOM 390 CB LYS A 28 10.277 1.579 6.093 1.00 0.00 C ATOM 391 CG LYS A 28 10.905 0.264 5.666 1.00 0.00 C ATOM 392 CD LYS A 28 11.352 0.305 4.214 1.00 0.00 C ATOM 393 CE LYS A 28 12.786 0.793 4.086 1.00 0.00 C ATOM 394 NZ LYS A 28 13.737 -0.078 4.830 1.00 0.00 N ATOM 0 H LYS A 28 9.010 3.686 6.239 1.00 0.00 H new ATOM 0 HA LYS A 28 8.540 1.314 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.748 2.393 5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.487 1.746 7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.760 0.044 6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.187 -0.545 5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.265 -0.690 3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.691 0.961 3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.067 0.821 3.033 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.857 1.813 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.528 -0.340 4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.103 0.435 5.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.245 -0.938 5.146 1.00 0.00 H new ATOM 408 N GLY A 29 7.814 -0.534 6.395 1.00 0.00 N ATOM 409 CA GLY A 29 7.151 -1.511 7.238 1.00 0.00 C ATOM 410 C GLY A 29 5.650 -1.306 7.294 1.00 0.00 C ATOM 411 O GLY A 29 4.882 -2.263 7.202 1.00 0.00 O ATOM 0 H GLY A 29 8.061 -0.869 5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.364 -2.513 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.560 -1.453 8.247 1.00 0.00 H new ATOM 415 N ASP A 30 5.232 -0.054 7.447 1.00 0.00 N ATOM 416 CA ASP A 30 3.813 0.274 7.516 1.00 0.00 C ATOM 417 C ASP A 30 3.003 -0.613 6.576 1.00 0.00 C ATOM 418 O ASP A 30 3.255 -0.653 5.372 1.00 0.00 O ATOM 419 CB ASP A 30 3.590 1.746 7.165 1.00 0.00 C ATOM 420 CG ASP A 30 4.467 2.675 7.982 1.00 0.00 C ATOM 421 OD1 ASP A 30 5.692 2.440 8.037 1.00 0.00 O ATOM 422 OD2 ASP A 30 3.928 3.638 8.566 1.00 0.00 O ATOM 0 H ASP A 30 5.855 0.750 7.526 1.00 0.00 H new ATOM 0 HA ASP A 30 3.474 0.096 8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.793 1.899 6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.543 2.001 7.329 1.00 0.00 H new ATOM 427 N VAL A 31 2.029 -1.325 7.135 1.00 0.00 N ATOM 428 CA VAL A 31 1.182 -2.213 6.347 1.00 0.00 C ATOM 429 C VAL A 31 -0.086 -1.500 5.890 1.00 0.00 C ATOM 430 O VAL A 31 -0.971 -1.210 6.695 1.00 0.00 O ATOM 431 CB VAL A 31 0.792 -3.471 7.145 1.00 0.00 C ATOM 432 CG1 VAL A 31 -0.168 -4.336 6.343 1.00 0.00 C ATOM 433 CG2 VAL A 31 2.033 -4.259 7.537 1.00 0.00 C ATOM 0 H VAL A 31 1.807 -1.304 8.130 1.00 0.00 H new ATOM 0 HA VAL A 31 1.762 -2.512 5.474 1.00 0.00 H new ATOM 0 HB VAL A 31 0.285 -3.158 8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.432 -5.220 6.923 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.070 -3.767 6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.309 -4.642 5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.739 -5.145 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.570 -4.562 6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.680 -3.635 8.154 1.00 0.00 H new ATOM 443 N ILE A 32 -0.166 -1.221 4.594 1.00 0.00 N ATOM 444 CA ILE A 32 -1.327 -0.544 4.029 1.00 0.00 C ATOM 445 C ILE A 32 -2.395 -1.546 3.603 1.00 0.00 C ATOM 446 O ILE A 32 -2.085 -2.601 3.048 1.00 0.00 O ATOM 447 CB ILE A 32 -0.939 0.323 2.817 1.00 0.00 C ATOM 448 CG1 ILE A 32 0.178 1.298 3.196 1.00 0.00 C ATOM 449 CG2 ILE A 32 -2.153 1.077 2.295 1.00 0.00 C ATOM 450 CD1 ILE A 32 1.071 1.675 2.035 1.00 0.00 C ATOM 0 H ILE A 32 0.559 -1.453 3.915 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.728 0.100 4.812 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.572 -0.330 2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.266 2.203 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.787 0.852 3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.863 1.685 1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.920 0.365 1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.547 1.721 3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.839 2.368 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.544 0.779 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.474 2.150 1.256 1.00 0.00 H new ATOM 462 N LEU A 33 -3.653 -1.208 3.864 1.00 0.00 N ATOM 463 CA LEU A 33 -4.768 -2.077 3.506 1.00 0.00 C ATOM 464 C LEU A 33 -5.309 -1.727 2.123 1.00 0.00 C ATOM 465 O LEU A 33 -5.808 -0.623 1.902 1.00 0.00 O ATOM 466 CB LEU A 33 -5.884 -1.964 4.546 1.00 0.00 C ATOM 467 CG LEU A 33 -5.776 -2.899 5.751 1.00 0.00 C ATOM 468 CD1 LEU A 33 -4.986 -2.238 6.870 1.00 0.00 C ATOM 469 CD2 LEU A 33 -7.159 -3.303 6.239 1.00 0.00 C ATOM 0 H LEU A 33 -3.926 -0.339 4.322 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.403 -3.104 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.912 -0.937 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.836 -2.152 4.050 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.245 -3.799 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.919 -2.918 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.983 -2.000 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.489 -1.321 7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.062 -3.968 7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.716 -2.413 6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.691 -3.818 5.439 1.00 0.00 H new ATOM 481 N LEU A 34 -5.209 -2.674 1.197 1.00 0.00 N ATOM 482 CA LEU A 34 -5.690 -2.466 -0.164 1.00 0.00 C ATOM 483 C LEU A 34 -7.198 -2.237 -0.180 1.00 0.00 C ATOM 484 O LEU A 34 -7.969 -3.082 0.275 1.00 0.00 O ATOM 485 CB LEU A 34 -5.337 -3.670 -1.040 1.00 0.00 C ATOM 486 CG LEU A 34 -3.869 -3.792 -1.452 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.644 -5.067 -2.249 1.00 0.00 C ATOM 488 CD2 LEU A 34 -3.438 -2.575 -2.257 1.00 0.00 C ATOM 0 H LEU A 34 -4.799 -3.593 1.364 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.202 -1.577 -0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.621 -4.578 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.945 -3.627 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.260 -3.839 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.594 -5.138 -2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.913 -5.929 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.263 -5.049 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.391 -2.679 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.052 -2.496 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.562 -1.676 -1.653 1.00 0.00 H new ATOM 500 N ARG A 35 -7.612 -1.090 -0.708 1.00 0.00 N ATOM 501 CA ARG A 35 -9.027 -0.750 -0.784 1.00 0.00 C ATOM 502 C ARG A 35 -9.518 -0.782 -2.229 1.00 0.00 C ATOM 503 O ARG A 35 -10.669 -1.127 -2.496 1.00 0.00 O ATOM 504 CB ARG A 35 -9.275 0.634 -0.181 1.00 0.00 C ATOM 505 CG ARG A 35 -10.717 1.100 -0.296 1.00 0.00 C ATOM 506 CD ARG A 35 -11.602 0.435 0.747 1.00 0.00 C ATOM 507 NE ARG A 35 -11.428 1.029 2.070 1.00 0.00 N ATOM 508 CZ ARG A 35 -11.998 0.551 3.171 1.00 0.00 C ATOM 509 NH1 ARG A 35 -12.774 -0.523 3.107 1.00 0.00 N ATOM 510 NH2 ARG A 35 -11.793 1.146 4.338 1.00 0.00 N ATOM 0 H ARG A 35 -6.987 -0.380 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.584 -1.493 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.990 0.619 0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.628 1.358 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.761 2.182 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.095 0.874 -1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.646 0.521 0.445 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.371 -0.629 0.794 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.837 1.856 2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.934 -0.984 2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.210 -0.888 3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.197 1.972 4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.231 0.778 5.182 1.00 0.00 H new ATOM 524 N ARG A 36 -8.636 -0.420 -3.155 1.00 0.00 N ATOM 525 CA ARG A 36 -8.980 -0.405 -4.572 1.00 0.00 C ATOM 526 C ARG A 36 -7.737 -0.606 -5.434 1.00 0.00 C ATOM 527 O ARG A 36 -6.794 0.183 -5.374 1.00 0.00 O ATOM 528 CB ARG A 36 -9.661 0.914 -4.940 1.00 0.00 C ATOM 529 CG ARG A 36 -11.060 1.059 -4.362 1.00 0.00 C ATOM 530 CD ARG A 36 -11.841 2.159 -5.064 1.00 0.00 C ATOM 531 NE ARG A 36 -13.105 2.447 -4.391 1.00 0.00 N ATOM 532 CZ ARG A 36 -13.211 3.259 -3.345 1.00 0.00 C ATOM 533 NH1 ARG A 36 -12.135 3.860 -2.856 1.00 0.00 N ATOM 534 NH2 ARG A 36 -14.396 3.472 -2.786 1.00 0.00 N ATOM 0 H ARG A 36 -7.679 -0.133 -2.950 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.670 -1.227 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.045 1.742 -4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.715 0.995 -6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.594 0.114 -4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.994 1.281 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.236 3.065 -5.103 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.038 1.863 -6.094 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.952 2.001 -4.743 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.223 3.699 -3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.220 4.483 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.226 3.012 -3.160 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.476 4.096 -1.983 1.00 0.00 H new ATOM 548 N GLN A 37 -7.744 -1.666 -6.236 1.00 0.00 N ATOM 549 CA GLN A 37 -6.617 -1.971 -7.109 1.00 0.00 C ATOM 550 C GLN A 37 -6.826 -1.372 -8.496 1.00 0.00 C ATOM 551 O GLN A 37 -7.609 -1.887 -9.295 1.00 0.00 O ATOM 552 CB GLN A 37 -6.424 -3.484 -7.218 1.00 0.00 C ATOM 553 CG GLN A 37 -5.440 -3.895 -8.302 1.00 0.00 C ATOM 554 CD GLN A 37 -5.191 -5.390 -8.327 1.00 0.00 C ATOM 555 OE1 GLN A 37 -5.710 -6.132 -7.493 1.00 0.00 O ATOM 556 NE2 GLN A 37 -4.392 -5.841 -9.287 1.00 0.00 N ATOM 0 H GLN A 37 -8.518 -2.328 -6.299 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.722 -1.528 -6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.076 -3.868 -6.259 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.388 -3.952 -7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.821 -3.578 -9.273 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.495 -3.376 -8.145 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.983 -5.190 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.187 -6.838 -9.354 1.00 0.00 H new ATOM 565 N LEU A 38 -6.122 -0.281 -8.776 1.00 0.00 N ATOM 566 CA LEU A 38 -6.231 0.390 -10.067 1.00 0.00 C ATOM 567 C LEU A 38 -5.451 -0.365 -11.140 1.00 0.00 C ATOM 568 O LEU A 38 -5.865 -0.421 -12.298 1.00 0.00 O ATOM 569 CB LEU A 38 -5.716 1.826 -9.963 1.00 0.00 C ATOM 570 CG LEU A 38 -6.260 2.651 -8.796 1.00 0.00 C ATOM 571 CD1 LEU A 38 -5.313 3.793 -8.462 1.00 0.00 C ATOM 572 CD2 LEU A 38 -7.648 3.184 -9.121 1.00 0.00 C ATOM 0 H LEU A 38 -5.469 0.158 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.283 0.408 -10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.629 1.796 -9.885 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.955 2.345 -10.891 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.337 2.003 -7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.717 4.369 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.339 3.389 -8.185 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.203 4.441 -9.332 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.020 3.769 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.597 3.816 -10.007 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.323 2.349 -9.309 1.00 0.00 H new ATOM 584 N ASP A 39 -4.324 -0.946 -10.745 1.00 0.00 N ATOM 585 CA ASP A 39 -3.488 -1.701 -11.672 1.00 0.00 C ATOM 586 C ASP A 39 -2.413 -2.482 -10.922 1.00 0.00 C ATOM 587 O ASP A 39 -2.276 -2.355 -9.705 1.00 0.00 O ATOM 588 CB ASP A 39 -2.837 -0.760 -12.687 1.00 0.00 C ATOM 589 CG ASP A 39 -2.555 -1.443 -14.011 1.00 0.00 C ATOM 590 OD1 ASP A 39 -3.273 -2.409 -14.346 1.00 0.00 O ATOM 591 OD2 ASP A 39 -1.618 -1.011 -14.713 1.00 0.00 O ATOM 0 H ASP A 39 -3.968 -0.909 -9.790 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.124 -2.410 -12.201 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.490 0.096 -12.855 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.905 -0.374 -12.275 1.00 0.00 H new ATOM 596 N GLU A 40 -1.655 -3.290 -11.656 1.00 0.00 N ATOM 597 CA GLU A 40 -0.594 -4.092 -11.058 1.00 0.00 C ATOM 598 C GLU A 40 0.614 -3.226 -10.713 1.00 0.00 C ATOM 599 O GLU A 40 1.577 -3.698 -10.110 1.00 0.00 O ATOM 600 CB GLU A 40 -0.175 -5.214 -12.011 1.00 0.00 C ATOM 601 CG GLU A 40 0.507 -4.718 -13.274 1.00 0.00 C ATOM 602 CD GLU A 40 0.699 -5.815 -14.303 1.00 0.00 C ATOM 603 OE1 GLU A 40 -0.260 -6.577 -14.545 1.00 0.00 O ATOM 604 OE2 GLU A 40 1.809 -5.911 -14.867 1.00 0.00 O ATOM 0 H GLU A 40 -1.755 -3.407 -12.664 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.980 -4.531 -10.138 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.499 -5.892 -11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.057 -5.792 -12.288 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.086 -3.915 -13.711 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.477 -4.293 -13.016 1.00 0.00 H new ATOM 611 N ASN A 41 0.555 -1.956 -11.101 1.00 0.00 N ATOM 612 CA ASN A 41 1.645 -1.024 -10.833 1.00 0.00 C ATOM 613 C ASN A 41 1.261 -0.041 -9.731 1.00 0.00 C ATOM 614 O ASN A 41 2.119 0.447 -8.995 1.00 0.00 O ATOM 615 CB ASN A 41 2.014 -0.261 -12.107 1.00 0.00 C ATOM 616 CG ASN A 41 1.973 -1.141 -13.341 1.00 0.00 C ATOM 617 OD1 ASN A 41 2.999 -1.660 -13.782 1.00 0.00 O ATOM 618 ND2 ASN A 41 0.783 -1.312 -13.906 1.00 0.00 N ATOM 0 H ASN A 41 -0.235 -1.549 -11.601 1.00 0.00 H new ATOM 0 HA ASN A 41 2.509 -1.599 -10.498 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.327 0.575 -12.238 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.013 0.161 -11.998 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.693 -1.893 -14.740 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.041 -0.862 -13.506 1.00 0.00 H new ATOM 625 N TRP A 42 -0.031 0.243 -9.624 1.00 0.00 N ATOM 626 CA TRP A 42 -0.529 1.168 -8.611 1.00 0.00 C ATOM 627 C TRP A 42 -1.567 0.493 -7.721 1.00 0.00 C ATOM 628 O TRP A 42 -2.289 -0.401 -8.162 1.00 0.00 O ATOM 629 CB TRP A 42 -1.134 2.406 -9.274 1.00 0.00 C ATOM 630 CG TRP A 42 -0.106 3.351 -9.817 1.00 0.00 C ATOM 631 CD1 TRP A 42 0.545 3.255 -11.015 1.00 0.00 C ATOM 632 CD2 TRP A 42 0.392 4.534 -9.182 1.00 0.00 C ATOM 633 NE1 TRP A 42 1.416 4.307 -11.162 1.00 0.00 N ATOM 634 CE2 TRP A 42 1.340 5.106 -10.052 1.00 0.00 C ATOM 635 CE3 TRP A 42 0.126 5.167 -7.965 1.00 0.00 C ATOM 636 CZ2 TRP A 42 2.023 6.279 -9.741 1.00 0.00 C ATOM 637 CZ3 TRP A 42 0.805 6.330 -7.657 1.00 0.00 C ATOM 638 CH2 TRP A 42 1.744 6.877 -8.542 1.00 0.00 C ATOM 0 H TRP A 42 -0.753 -0.153 -10.225 1.00 0.00 H new ATOM 0 HA TRP A 42 0.312 1.473 -7.989 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -1.791 2.091 -10.084 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.753 2.932 -8.548 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.396 2.468 -11.739 1.00 0.00 H new ATOM 0 HE1 TRP A 42 2.021 4.467 -11.967 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.597 4.754 -7.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.747 6.702 -10.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.609 6.826 -6.718 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.257 7.788 -8.273 1.00 0.00 H new ATOM 649 N TYR A 43 -1.637 0.927 -6.468 1.00 0.00 N ATOM 650 CA TYR A 43 -2.587 0.363 -5.516 1.00 0.00 C ATOM 651 C TYR A 43 -3.162 1.449 -4.612 1.00 0.00 C ATOM 652 O TYR A 43 -2.429 2.284 -4.084 1.00 0.00 O ATOM 653 CB TYR A 43 -1.911 -0.716 -4.668 1.00 0.00 C ATOM 654 CG TYR A 43 -1.485 -1.931 -5.462 1.00 0.00 C ATOM 655 CD1 TYR A 43 -2.330 -2.499 -6.407 1.00 0.00 C ATOM 656 CD2 TYR A 43 -0.237 -2.510 -5.267 1.00 0.00 C ATOM 657 CE1 TYR A 43 -1.945 -3.609 -7.134 1.00 0.00 C ATOM 658 CE2 TYR A 43 0.157 -3.619 -5.990 1.00 0.00 C ATOM 659 CZ TYR A 43 -0.701 -4.165 -6.922 1.00 0.00 C ATOM 660 OH TYR A 43 -0.313 -5.270 -7.645 1.00 0.00 O ATOM 0 H TYR A 43 -1.048 1.667 -6.087 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.405 -0.086 -6.080 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.037 -0.287 -4.179 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.596 -1.029 -3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.305 -2.066 -6.576 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.437 -2.085 -4.537 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.615 -4.039 -7.864 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.131 -4.056 -5.827 1.00 0.00 H new ATOM 0 HH TYR A 43 0.591 -5.536 -7.376 1.00 0.00 H new ATOM 670 N GLN A 44 -4.480 1.429 -4.439 1.00 0.00 N ATOM 671 CA GLN A 44 -5.155 2.411 -3.599 1.00 0.00 C ATOM 672 C GLN A 44 -5.564 1.797 -2.264 1.00 0.00 C ATOM 673 O GLN A 44 -6.386 0.882 -2.217 1.00 0.00 O ATOM 674 CB GLN A 44 -6.386 2.967 -4.317 1.00 0.00 C ATOM 675 CG GLN A 44 -7.061 4.107 -3.572 1.00 0.00 C ATOM 676 CD GLN A 44 -8.258 4.664 -4.318 1.00 0.00 C ATOM 677 OE1 GLN A 44 -8.569 4.231 -5.428 1.00 0.00 O ATOM 678 NE2 GLN A 44 -8.936 5.631 -3.712 1.00 0.00 N ATOM 0 H GLN A 44 -5.101 0.744 -4.869 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.458 3.226 -3.404 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.093 3.315 -5.308 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.106 2.162 -4.462 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.380 3.756 -2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.338 4.905 -3.405 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.643 5.960 -2.792 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.750 6.045 -4.166 1.00 0.00 H new ATOM 687 N GLY A 45 -4.985 2.306 -1.181 1.00 0.00 N ATOM 688 CA GLY A 45 -5.302 1.795 0.139 1.00 0.00 C ATOM 689 C GLY A 45 -5.526 2.902 1.151 1.00 0.00 C ATOM 690 O GLY A 45 -5.639 4.071 0.785 1.00 0.00 O ATOM 0 H GLY A 45 -4.302 3.063 -1.195 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.196 1.175 0.080 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.490 1.153 0.481 1.00 0.00 H new ATOM 694 N GLU A 46 -5.590 2.532 2.426 1.00 0.00 N ATOM 695 CA GLU A 46 -5.804 3.503 3.493 1.00 0.00 C ATOM 696 C GLU A 46 -5.033 3.109 4.750 1.00 0.00 C ATOM 697 O GLU A 46 -5.137 1.978 5.226 1.00 0.00 O ATOM 698 CB GLU A 46 -7.296 3.622 3.813 1.00 0.00 C ATOM 699 CG GLU A 46 -7.578 4.166 5.203 1.00 0.00 C ATOM 700 CD GLU A 46 -9.048 4.470 5.423 1.00 0.00 C ATOM 701 OE1 GLU A 46 -9.490 5.571 5.033 1.00 0.00 O ATOM 702 OE2 GLU A 46 -9.755 3.608 5.984 1.00 0.00 O ATOM 0 H GLU A 46 -5.497 1.568 2.745 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.435 4.469 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.767 4.272 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.760 2.640 3.715 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.245 3.442 5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.996 5.074 5.359 1.00 0.00 H new ATOM 709 N ILE A 47 -4.259 4.050 5.281 1.00 0.00 N ATOM 710 CA ILE A 47 -3.471 3.802 6.482 1.00 0.00 C ATOM 711 C ILE A 47 -3.713 4.882 7.530 1.00 0.00 C ATOM 712 O ILE A 47 -3.568 6.072 7.255 1.00 0.00 O ATOM 713 CB ILE A 47 -1.966 3.739 6.164 1.00 0.00 C ATOM 714 CG1 ILE A 47 -1.168 3.421 7.430 1.00 0.00 C ATOM 715 CG2 ILE A 47 -1.498 5.051 5.552 1.00 0.00 C ATOM 716 CD1 ILE A 47 0.244 2.954 7.154 1.00 0.00 C ATOM 0 H ILE A 47 -4.161 4.990 4.899 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.791 2.838 6.877 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.796 2.942 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.131 4.310 8.059 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.692 2.651 7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.432 4.990 5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.048 5.239 4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.678 5.865 6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.750 2.747 8.097 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.216 2.047 6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.785 3.731 6.615 1.00 0.00 H new ATOM 728 N ASN A 48 -4.082 4.458 8.735 1.00 0.00 N ATOM 729 CA ASN A 48 -4.343 5.389 9.827 1.00 0.00 C ATOM 730 C ASN A 48 -5.389 6.422 9.422 1.00 0.00 C ATOM 731 O ASN A 48 -5.213 7.620 9.644 1.00 0.00 O ATOM 732 CB ASN A 48 -3.050 6.092 10.245 1.00 0.00 C ATOM 733 CG ASN A 48 -1.995 5.119 10.735 1.00 0.00 C ATOM 734 OD1 ASN A 48 -0.818 5.163 10.121 1.00 0.00 O flip ATOM 735 ND2 ASN A 48 -2.235 4.338 11.656 1.00 0.00 N flip ATOM 0 H ASN A 48 -4.207 3.476 8.980 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.729 4.820 10.673 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.656 6.655 9.399 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.270 6.812 11.033 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.154 4.339 12.099 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.515 3.690 11.976 1.00 0.00 H new ATOM 742 N GLY A 49 -6.480 5.950 8.826 1.00 0.00 N ATOM 743 CA GLY A 49 -7.539 6.846 8.400 1.00 0.00 C ATOM 744 C GLY A 49 -7.081 7.817 7.330 1.00 0.00 C ATOM 745 O GLY A 49 -7.595 8.932 7.231 1.00 0.00 O ATOM 0 H GLY A 49 -6.649 4.963 8.631 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.376 6.260 8.020 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.906 7.405 9.261 1.00 0.00 H new ATOM 749 N VAL A 50 -6.111 7.395 6.526 1.00 0.00 N ATOM 750 CA VAL A 50 -5.583 8.236 5.458 1.00 0.00 C ATOM 751 C VAL A 50 -5.687 7.538 4.106 1.00 0.00 C ATOM 752 O VAL A 50 -4.949 6.594 3.825 1.00 0.00 O ATOM 753 CB VAL A 50 -4.112 8.614 5.716 1.00 0.00 C ATOM 754 CG1 VAL A 50 -3.584 9.499 4.597 1.00 0.00 C ATOM 755 CG2 VAL A 50 -3.968 9.302 7.064 1.00 0.00 C ATOM 0 H VAL A 50 -5.674 6.476 6.594 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.186 9.144 5.443 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.518 7.700 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.544 9.756 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.651 8.965 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.179 10.411 4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.923 9.562 7.230 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.574 10.208 7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.304 8.630 7.853 1.00 0.00 H new ATOM 765 N SER A 51 -6.610 8.008 3.273 1.00 0.00 N ATOM 766 CA SER A 51 -6.814 7.427 1.951 1.00 0.00 C ATOM 767 C SER A 51 -5.886 8.071 0.926 1.00 0.00 C ATOM 768 O SER A 51 -5.717 9.289 0.903 1.00 0.00 O ATOM 769 CB SER A 51 -8.270 7.597 1.515 1.00 0.00 C ATOM 770 OG SER A 51 -9.157 7.043 2.472 1.00 0.00 O ATOM 0 H SER A 51 -7.228 8.790 3.490 1.00 0.00 H new ATOM 0 HA SER A 51 -6.581 6.364 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.491 8.656 1.380 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.423 7.114 0.550 1.00 0.00 H new ATOM 0 HG SER A 51 -8.644 6.560 3.153 1.00 0.00 H new ATOM 776 N GLY A 52 -5.286 7.242 0.077 1.00 0.00 N ATOM 777 CA GLY A 52 -4.382 7.747 -0.940 1.00 0.00 C ATOM 778 C GLY A 52 -3.990 6.685 -1.947 1.00 0.00 C ATOM 779 O GLY A 52 -4.559 5.592 -1.960 1.00 0.00 O ATOM 0 H GLY A 52 -5.410 6.230 0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.855 8.580 -1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.484 8.138 -0.462 1.00 0.00 H new ATOM 783 N ILE A 53 -3.018 7.005 -2.795 1.00 0.00 N ATOM 784 CA ILE A 53 -2.552 6.069 -3.810 1.00 0.00 C ATOM 785 C ILE A 53 -1.049 5.837 -3.696 1.00 0.00 C ATOM 786 O ILE A 53 -0.274 6.781 -3.541 1.00 0.00 O ATOM 787 CB ILE A 53 -2.875 6.571 -5.230 1.00 0.00 C ATOM 788 CG1 ILE A 53 -2.289 7.968 -5.446 1.00 0.00 C ATOM 789 CG2 ILE A 53 -4.380 6.582 -5.457 1.00 0.00 C ATOM 790 CD1 ILE A 53 -2.290 8.406 -6.894 1.00 0.00 C ATOM 0 H ILE A 53 -2.538 7.905 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.077 5.130 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.422 5.892 -5.952 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.858 8.687 -4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.266 7.986 -5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.593 6.939 -6.465 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.773 5.572 -5.339 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.853 7.243 -4.730 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.861 9.405 -6.972 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.697 7.709 -7.485 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.313 8.420 -7.269 1.00 0.00 H new ATOM 802 N PHE A 54 -0.643 4.574 -3.775 1.00 0.00 N ATOM 803 CA PHE A 54 0.768 4.218 -3.681 1.00 0.00 C ATOM 804 C PHE A 54 1.127 3.145 -4.705 1.00 0.00 C ATOM 805 O PHE A 54 0.295 2.333 -5.109 1.00 0.00 O ATOM 806 CB PHE A 54 1.098 3.723 -2.271 1.00 0.00 C ATOM 807 CG PHE A 54 0.182 2.636 -1.787 1.00 0.00 C ATOM 808 CD1 PHE A 54 -1.007 2.947 -1.148 1.00 0.00 C ATOM 809 CD2 PHE A 54 0.509 1.302 -1.973 1.00 0.00 C ATOM 810 CE1 PHE A 54 -1.852 1.949 -0.701 1.00 0.00 C ATOM 811 CE2 PHE A 54 -0.332 0.299 -1.528 1.00 0.00 C ATOM 812 CZ PHE A 54 -1.515 0.623 -0.893 1.00 0.00 C ATOM 0 H PHE A 54 -1.271 3.780 -3.904 1.00 0.00 H new ATOM 0 HA PHE A 54 1.357 5.110 -3.893 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.124 3.356 -2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.049 4.564 -1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.277 3.982 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.431 1.043 -2.471 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.775 2.205 -0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.064 -0.737 -1.677 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.175 -0.159 -0.547 1.00 0.00 H new ATOM 822 N PRO A 55 2.397 3.142 -5.137 1.00 0.00 N ATOM 823 CA PRO A 55 2.897 2.175 -6.120 1.00 0.00 C ATOM 824 C PRO A 55 2.983 0.763 -5.552 1.00 0.00 C ATOM 825 O PRO A 55 2.719 0.542 -4.370 1.00 0.00 O ATOM 826 CB PRO A 55 4.294 2.702 -6.456 1.00 0.00 C ATOM 827 CG PRO A 55 4.705 3.481 -5.255 1.00 0.00 C ATOM 828 CD PRO A 55 3.444 4.080 -4.698 1.00 0.00 C ATOM 0 HA PRO A 55 2.238 2.094 -6.984 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.988 1.885 -6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.277 3.329 -7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.189 2.838 -4.520 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.422 4.258 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.483 4.159 -3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.271 5.084 -5.085 1.00 0.00 H new ATOM 836 N ALA A 56 3.354 -0.190 -6.401 1.00 0.00 N ATOM 837 CA ALA A 56 3.477 -1.581 -5.982 1.00 0.00 C ATOM 838 C ALA A 56 4.940 -1.979 -5.826 1.00 0.00 C ATOM 839 O ALA A 56 5.258 -2.956 -5.147 1.00 0.00 O ATOM 840 CB ALA A 56 2.782 -2.495 -6.980 1.00 0.00 C ATOM 0 H ALA A 56 3.575 -0.024 -7.383 1.00 0.00 H new ATOM 0 HA ALA A 56 2.994 -1.687 -5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.881 -3.531 -6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.726 -2.233 -7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.240 -2.377 -7.962 1.00 0.00 H new ATOM 846 N SER A 57 5.827 -1.218 -6.459 1.00 0.00 N ATOM 847 CA SER A 57 7.257 -1.495 -6.393 1.00 0.00 C ATOM 848 C SER A 57 7.824 -1.108 -5.030 1.00 0.00 C ATOM 849 O SER A 57 8.740 -1.753 -4.521 1.00 0.00 O ATOM 850 CB SER A 57 7.996 -0.739 -7.499 1.00 0.00 C ATOM 851 OG SER A 57 9.323 -1.215 -7.643 1.00 0.00 O ATOM 0 H SER A 57 5.581 -0.405 -7.023 1.00 0.00 H new ATOM 0 HA SER A 57 7.401 -2.566 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.461 -0.853 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.011 0.326 -7.268 1.00 0.00 H new ATOM 0 HG SER A 57 9.773 -0.717 -8.357 1.00 0.00 H new ATOM 857 N SER A 58 7.271 -0.050 -4.445 1.00 0.00 N ATOM 858 CA SER A 58 7.722 0.426 -3.143 1.00 0.00 C ATOM 859 C SER A 58 7.172 -0.451 -2.023 1.00 0.00 C ATOM 860 O SER A 58 7.688 -0.447 -0.905 1.00 0.00 O ATOM 861 CB SER A 58 7.289 1.878 -2.930 1.00 0.00 C ATOM 862 OG SER A 58 7.943 2.744 -3.841 1.00 0.00 O ATOM 0 H SER A 58 6.510 0.494 -4.852 1.00 0.00 H new ATOM 0 HA SER A 58 8.810 0.372 -3.121 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.209 1.961 -3.056 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.515 2.182 -1.908 1.00 0.00 H new ATOM 0 HG SER A 58 7.648 3.666 -3.686 1.00 0.00 H new ATOM 868 N VAL A 59 6.119 -1.201 -2.331 1.00 0.00 N ATOM 869 CA VAL A 59 5.497 -2.085 -1.351 1.00 0.00 C ATOM 870 C VAL A 59 5.500 -3.530 -1.836 1.00 0.00 C ATOM 871 O VAL A 59 5.840 -3.809 -2.985 1.00 0.00 O ATOM 872 CB VAL A 59 4.048 -1.658 -1.051 1.00 0.00 C ATOM 873 CG1 VAL A 59 4.007 -0.222 -0.553 1.00 0.00 C ATOM 874 CG2 VAL A 59 3.176 -1.828 -2.285 1.00 0.00 C ATOM 0 H VAL A 59 5.678 -1.215 -3.251 1.00 0.00 H new ATOM 0 HA VAL A 59 6.086 -2.010 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 59 3.654 -2.301 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.975 0.062 -0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.597 -0.136 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.420 0.439 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.156 -1.522 -2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.566 -1.211 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.180 -2.874 -2.592 1.00 0.00 H new ATOM 884 N GLU A 60 5.117 -4.446 -0.951 1.00 0.00 N ATOM 885 CA GLU A 60 5.076 -5.864 -1.289 1.00 0.00 C ATOM 886 C GLU A 60 3.777 -6.501 -0.804 1.00 0.00 C ATOM 887 O GLU A 60 3.375 -6.321 0.346 1.00 0.00 O ATOM 888 CB GLU A 60 6.274 -6.592 -0.676 1.00 0.00 C ATOM 889 CG GLU A 60 7.505 -6.596 -1.567 1.00 0.00 C ATOM 890 CD GLU A 60 8.480 -7.701 -1.211 1.00 0.00 C ATOM 891 OE1 GLU A 60 8.745 -7.891 -0.005 1.00 0.00 O ATOM 892 OE2 GLU A 60 8.977 -8.375 -2.137 1.00 0.00 O ATOM 0 H GLU A 60 4.831 -4.231 0.004 1.00 0.00 H new ATOM 0 HA GLU A 60 5.122 -5.954 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.526 -6.123 0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.990 -7.622 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.196 -6.710 -2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.009 -5.633 -1.488 1.00 0.00 H new ATOM 899 N VAL A 61 3.124 -7.247 -1.689 1.00 0.00 N ATOM 900 CA VAL A 61 1.871 -7.912 -1.353 1.00 0.00 C ATOM 901 C VAL A 61 2.125 -9.221 -0.613 1.00 0.00 C ATOM 902 O VAL A 61 1.220 -10.041 -0.454 1.00 0.00 O ATOM 903 CB VAL A 61 1.033 -8.202 -2.612 1.00 0.00 C ATOM 904 CG1 VAL A 61 -0.438 -8.350 -2.253 1.00 0.00 C ATOM 905 CG2 VAL A 61 1.230 -7.103 -3.647 1.00 0.00 C ATOM 0 H VAL A 61 3.442 -7.406 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 61 1.317 -7.233 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 61 1.373 -9.143 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.014 -8.555 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.560 -9.174 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.796 -7.427 -1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.631 -7.324 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.918 -6.147 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.282 -7.051 -3.926 1.00 0.00 H new ATOM 915 N ILE A 62 3.360 -9.409 -0.163 1.00 0.00 N ATOM 916 CA ILE A 62 3.733 -10.618 0.562 1.00 0.00 C ATOM 917 C ILE A 62 3.168 -10.606 1.979 1.00 0.00 C ATOM 918 O ILE A 62 2.900 -11.657 2.560 1.00 0.00 O ATOM 919 CB ILE A 62 5.262 -10.783 0.633 1.00 0.00 C ATOM 920 CG1 ILE A 62 5.891 -9.602 1.373 1.00 0.00 C ATOM 921 CG2 ILE A 62 5.846 -10.911 -0.766 1.00 0.00 C ATOM 922 CD1 ILE A 62 6.012 -9.818 2.866 1.00 0.00 C ATOM 0 H ILE A 62 4.120 -8.740 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 62 3.310 -11.459 0.012 1.00 0.00 H new ATOM 0 HB ILE A 62 5.489 -11.695 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.882 -9.411 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.293 -8.709 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.928 -11.027 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.417 -11.782 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.612 -10.015 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.466 -8.940 3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.022 -9.978 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.635 -10.691 3.058 1.00 0.00 H new ATOM 934 N SER A 63 2.988 -9.409 2.528 1.00 0.00 N ATOM 935 CA SER A 63 2.457 -9.259 3.877 1.00 0.00 C ATOM 936 C SER A 63 0.948 -9.489 3.896 1.00 0.00 C ATOM 937 O SER A 63 0.180 -8.688 3.364 1.00 0.00 O ATOM 938 CB SER A 63 2.778 -7.866 4.423 1.00 0.00 C ATOM 939 OG SER A 63 2.073 -7.614 5.626 1.00 0.00 O ATOM 0 H SER A 63 3.202 -8.529 2.059 1.00 0.00 H new ATOM 0 HA SER A 63 2.930 -10.008 4.512 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.850 -7.780 4.601 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.517 -7.112 3.680 1.00 0.00 H new ATOM 0 HG SER A 63 2.297 -6.718 5.955 1.00 0.00 H new ATOM 945 N GLY A 64 0.532 -10.590 4.513 1.00 0.00 N ATOM 946 CA GLY A 64 -0.882 -10.908 4.590 1.00 0.00 C ATOM 947 C GLY A 64 -1.137 -12.398 4.698 1.00 0.00 C ATOM 948 O GLY A 64 -1.320 -12.941 5.788 1.00 0.00 O ATOM 0 H GLY A 64 1.149 -11.268 4.961 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.318 -10.405 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.387 -10.519 3.706 1.00 0.00 H new ATOM 952 N PRO A 65 -1.153 -13.084 3.546 1.00 0.00 N ATOM 953 CA PRO A 65 -1.388 -14.530 3.489 1.00 0.00 C ATOM 954 C PRO A 65 -0.223 -15.330 4.063 1.00 0.00 C ATOM 955 O PRO A 65 0.796 -15.522 3.400 1.00 0.00 O ATOM 956 CB PRO A 65 -1.540 -14.806 1.991 1.00 0.00 C ATOM 957 CG PRO A 65 -0.786 -13.708 1.325 1.00 0.00 C ATOM 958 CD PRO A 65 -0.943 -12.502 2.210 1.00 0.00 C ATOM 0 HA PRO A 65 -2.254 -14.826 4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.135 -15.782 1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.588 -14.804 1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.265 -13.972 1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.179 -13.514 0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.058 -11.866 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.788 -11.886 1.903 1.00 0.00 H new ATOM 966 N SER A 66 -0.381 -15.793 5.298 1.00 0.00 N ATOM 967 CA SER A 66 0.659 -16.569 5.963 1.00 0.00 C ATOM 968 C SER A 66 1.156 -17.696 5.061 1.00 0.00 C ATOM 969 O SER A 66 2.361 -17.887 4.895 1.00 0.00 O ATOM 970 CB SER A 66 0.133 -17.148 7.277 1.00 0.00 C ATOM 971 OG SER A 66 -1.037 -17.918 7.063 1.00 0.00 O ATOM 0 H SER A 66 -1.220 -15.644 5.859 1.00 0.00 H new ATOM 0 HA SER A 66 1.494 -15.902 6.177 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.901 -17.769 7.738 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.083 -16.338 7.974 1.00 0.00 H new ATOM 0 HG SER A 66 -1.352 -18.278 7.918 1.00 0.00 H new ATOM 977 N SER A 67 0.218 -18.438 4.481 1.00 0.00 N ATOM 978 CA SER A 67 0.559 -19.548 3.599 1.00 0.00 C ATOM 979 C SER A 67 1.492 -20.531 4.299 1.00 0.00 C ATOM 980 O SER A 67 2.442 -21.036 3.702 1.00 0.00 O ATOM 981 CB SER A 67 1.216 -19.027 2.319 1.00 0.00 C ATOM 982 OG SER A 67 0.241 -18.675 1.353 1.00 0.00 O ATOM 0 H SER A 67 -0.784 -18.291 4.606 1.00 0.00 H new ATOM 0 HA SER A 67 -0.362 -20.070 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.833 -18.159 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.879 -19.790 1.910 1.00 0.00 H new ATOM 0 HG SER A 67 0.686 -18.343 0.545 1.00 0.00 H new ATOM 988 N GLY A 68 1.214 -20.798 5.572 1.00 0.00 N ATOM 989 CA GLY A 68 2.037 -21.719 6.334 1.00 0.00 C ATOM 990 C GLY A 68 3.490 -21.291 6.387 1.00 0.00 C ATOM 991 O GLY A 68 4.391 -22.129 6.396 1.00 0.00 O ATOM 0 H GLY A 68 0.434 -20.393 6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.647 -21.795 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.970 -22.713 5.891 1.00 0.00 H new TER 995 GLY A 68