USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.142 (180deg=-0.265) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc=-0.000885 X(o=-0.00088,f=-0.00088) USER MOD Single : A 11 MET CE :methyl 158:sc= -0.217 (180deg=-0.86) USER MOD Single : A 12 SER OG : rot 9:sc= 0.893 USER MOD Single : A 13 THR OG1 : rot 23:sc= 0.139 USER MOD Single : A 16 THR OG1 : rot 46:sc= 0.566 USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0605) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 167:sc= -0.0587 (180deg=-0.381) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -81:sc= 0.613 USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= 1.4 (180deg=1.11) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -2.08 K(o=-2.1,f=-0.66) USER MOD Single : A 62 GLN : amide:sc= -0.0106 K(o=-0.011,f=-0.89) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= -2.06! (180deg=-2.97!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.224 0.423 -53.277 1.00 11.44 N ATOM 2 CA MET A 1 -10.245 -0.203 -52.390 1.00 34.50 C ATOM 3 C MET A 1 -9.644 -1.335 -51.537 1.00 1.31 C ATOM 4 O MET A 1 -10.364 -2.064 -50.852 1.00 3.43 O ATOM 5 CB MET A 1 -11.417 -0.728 -53.236 1.00 44.04 C ATOM 6 CG MET A 1 -11.021 -1.735 -54.314 1.00 1.34 C ATOM 7 SD MET A 1 -10.351 -3.263 -53.630 1.00 33.24 S ATOM 8 CE MET A 1 -9.969 -4.183 -55.118 1.00 45.40 C ATOM 0 H1 MET A 1 -9.692 1.072 -53.941 1.00 11.44 H new ATOM 0 H2 MET A 1 -8.540 0.953 -52.699 1.00 11.44 H new ATOM 0 H3 MET A 1 -8.726 -0.318 -53.810 1.00 11.44 H new ATOM 0 HA MET A 1 -10.609 0.560 -51.703 1.00 34.50 H new ATOM 0 HB2 MET A 1 -12.147 -1.193 -52.573 1.00 44.04 H new ATOM 0 HB3 MET A 1 -11.912 0.118 -53.712 1.00 44.04 H new ATOM 0 HG2 MET A 1 -11.893 -1.968 -54.925 1.00 1.34 H new ATOM 0 HG3 MET A 1 -10.281 -1.282 -54.974 1.00 1.34 H new ATOM 0 HE1 MET A 1 -9.546 -5.151 -54.849 1.00 45.40 H new ATOM 0 HE2 MET A 1 -10.880 -4.333 -55.697 1.00 45.40 H new ATOM 0 HE3 MET A 1 -9.247 -3.626 -55.715 1.00 45.40 H new ATOM 20 N GLY A 2 -8.318 -1.470 -51.570 1.00 23.21 N ATOM 21 CA GLY A 2 -7.648 -2.540 -50.839 1.00 73.44 C ATOM 22 C GLY A 2 -7.187 -3.683 -51.740 1.00 64.23 C ATOM 23 O GLY A 2 -7.259 -3.592 -52.967 1.00 64.32 O ATOM 0 H GLY A 2 -7.693 -0.856 -52.092 1.00 23.21 H new ATOM 0 HA2 GLY A 2 -6.786 -2.129 -50.314 1.00 73.44 H new ATOM 0 HA3 GLY A 2 -8.325 -2.933 -50.081 1.00 73.44 H new ATOM 27 N HIS A 3 -6.700 -4.756 -51.128 1.00 34.02 N ATOM 28 CA HIS A 3 -6.236 -5.936 -51.865 1.00 32.03 C ATOM 29 C HIS A 3 -6.336 -7.195 -50.993 1.00 11.10 C ATOM 30 O HIS A 3 -6.882 -8.216 -51.410 1.00 73.10 O ATOM 31 CB HIS A 3 -4.789 -5.723 -52.335 1.00 35.10 C ATOM 32 CG HIS A 3 -4.172 -6.912 -53.005 1.00 1.31 C ATOM 33 ND1 HIS A 3 -4.392 -7.232 -54.326 1.00 1.52 N ATOM 34 CD2 HIS A 3 -3.328 -7.863 -52.529 1.00 43.34 C ATOM 35 CE1 HIS A 3 -3.718 -8.320 -54.635 1.00 42.25 C ATOM 36 NE2 HIS A 3 -3.065 -8.723 -53.564 1.00 32.52 N ATOM 0 H HIS A 3 -6.614 -4.838 -50.115 1.00 34.02 H new ATOM 0 HA HIS A 3 -6.875 -6.076 -52.737 1.00 32.03 H new ATOM 0 HB2 HIS A 3 -4.765 -4.880 -53.025 1.00 35.10 H new ATOM 0 HB3 HIS A 3 -4.178 -5.449 -51.475 1.00 35.10 H new ATOM 0 HD2 HIS A 3 -2.937 -7.930 -51.524 1.00 43.34 H new ATOM 0 HE1 HIS A 3 -3.703 -8.800 -55.602 1.00 42.25 H new ATOM 0 HE2 HIS A 3 -2.461 -9.543 -53.513 1.00 32.52 H new ATOM 45 N HIS A 4 -5.788 -7.116 -49.787 1.00 44.04 N ATOM 46 CA HIS A 4 -5.854 -8.218 -48.824 1.00 13.30 C ATOM 47 C HIS A 4 -5.940 -7.675 -47.388 1.00 32.51 C ATOM 48 O HIS A 4 -5.001 -7.052 -46.895 1.00 65.45 O ATOM 49 CB HIS A 4 -4.627 -9.128 -48.986 1.00 21.51 C ATOM 50 CG HIS A 4 -4.644 -10.338 -48.099 1.00 24.21 C ATOM 51 ND1 HIS A 4 -5.387 -11.466 -48.376 1.00 74.44 N ATOM 52 CD2 HIS A 4 -3.998 -10.596 -46.935 1.00 12.53 C ATOM 53 CE1 HIS A 4 -5.197 -12.363 -47.429 1.00 13.34 C ATOM 54 NE2 HIS A 4 -4.362 -11.860 -46.546 1.00 32.24 N ATOM 0 H HIS A 4 -5.288 -6.295 -49.447 1.00 44.04 H new ATOM 0 HA HIS A 4 -6.753 -8.803 -49.019 1.00 13.30 H new ATOM 0 HB2 HIS A 4 -4.562 -9.452 -50.025 1.00 21.51 H new ATOM 0 HB3 HIS A 4 -3.728 -8.549 -48.776 1.00 21.51 H new ATOM 0 HD2 HIS A 4 -3.325 -9.932 -46.413 1.00 12.53 H new ATOM 0 HE1 HIS A 4 -5.649 -13.343 -47.386 1.00 13.34 H new ATOM 0 HE2 HIS A 4 -4.036 -12.335 -45.704 1.00 32.24 H new ATOM 63 N HIS A 5 -7.064 -7.926 -46.719 1.00 4.51 N ATOM 64 CA HIS A 5 -7.304 -7.375 -45.379 1.00 34.13 C ATOM 65 C HIS A 5 -6.461 -8.091 -44.311 1.00 70.14 C ATOM 66 O HIS A 5 -6.798 -9.191 -43.867 1.00 24.23 O ATOM 67 CB HIS A 5 -8.796 -7.461 -45.016 1.00 73.01 C ATOM 68 CG HIS A 5 -9.684 -6.646 -45.909 1.00 64.21 C ATOM 69 ND1 HIS A 5 -10.653 -7.198 -46.720 1.00 2.21 N ATOM 70 CD2 HIS A 5 -9.756 -5.307 -46.106 1.00 45.13 C ATOM 71 CE1 HIS A 5 -11.275 -6.240 -47.377 1.00 40.35 C ATOM 72 NE2 HIS A 5 -10.753 -5.087 -47.020 1.00 71.43 N ATOM 0 H HIS A 5 -7.823 -8.505 -47.078 1.00 4.51 H new ATOM 0 HA HIS A 5 -7.002 -6.328 -45.400 1.00 34.13 H new ATOM 0 HB2 HIS A 5 -9.111 -8.503 -45.059 1.00 73.01 H new ATOM 0 HB3 HIS A 5 -8.930 -7.130 -43.986 1.00 73.01 H new ATOM 0 HD2 HIS A 5 -9.143 -4.555 -45.632 1.00 45.13 H new ATOM 0 HE1 HIS A 5 -12.077 -6.378 -48.087 1.00 40.35 H new ATOM 0 HE2 HIS A 5 -11.044 -4.174 -47.368 1.00 71.43 H new ATOM 81 N HIS A 6 -5.355 -7.464 -43.914 1.00 13.23 N ATOM 82 CA HIS A 6 -4.495 -8.001 -42.857 1.00 32.53 C ATOM 83 C HIS A 6 -5.142 -7.786 -41.478 1.00 32.33 C ATOM 84 O HIS A 6 -5.141 -6.675 -40.942 1.00 71.04 O ATOM 85 CB HIS A 6 -3.111 -7.338 -42.917 1.00 61.14 C ATOM 86 CG HIS A 6 -2.131 -7.876 -41.917 1.00 52.51 C ATOM 87 ND1 HIS A 6 -1.517 -9.102 -42.050 1.00 33.41 N ATOM 88 CD2 HIS A 6 -1.657 -7.346 -40.763 1.00 2.20 C ATOM 89 CE1 HIS A 6 -0.711 -9.302 -41.027 1.00 44.51 C ATOM 90 NE2 HIS A 6 -0.777 -8.255 -40.234 1.00 53.31 N ATOM 0 H HIS A 6 -5.031 -6.581 -44.309 1.00 13.23 H new ATOM 0 HA HIS A 6 -4.373 -9.073 -43.012 1.00 32.53 H new ATOM 0 HB2 HIS A 6 -2.701 -7.468 -43.918 1.00 61.14 H new ATOM 0 HB3 HIS A 6 -3.226 -6.266 -42.757 1.00 61.14 H new ATOM 0 HD2 HIS A 6 -1.922 -6.388 -40.340 1.00 2.20 H new ATOM 0 HE1 HIS A 6 -0.100 -10.178 -40.867 1.00 44.51 H new ATOM 0 HE2 HIS A 6 -0.257 -8.138 -39.364 1.00 53.31 H new ATOM 99 N HIS A 7 -5.700 -8.854 -40.918 1.00 13.43 N ATOM 100 CA HIS A 7 -6.415 -8.786 -39.641 1.00 73.11 C ATOM 101 C HIS A 7 -5.468 -8.478 -38.469 1.00 73.13 C ATOM 102 O HIS A 7 -4.347 -8.986 -38.411 1.00 42.41 O ATOM 103 CB HIS A 7 -7.155 -10.105 -39.389 1.00 4.24 C ATOM 104 CG HIS A 7 -8.171 -10.429 -40.444 1.00 51.31 C ATOM 105 ND1 HIS A 7 -7.900 -11.228 -41.537 1.00 42.34 N ATOM 106 CD2 HIS A 7 -9.465 -10.055 -40.574 1.00 12.12 C ATOM 107 CE1 HIS A 7 -8.978 -11.327 -42.287 1.00 24.25 C ATOM 108 NE2 HIS A 7 -9.941 -10.628 -41.726 1.00 31.35 N ATOM 0 H HIS A 7 -5.672 -9.787 -41.330 1.00 13.43 H new ATOM 0 HA HIS A 7 -7.134 -7.969 -39.704 1.00 73.11 H new ATOM 0 HB2 HIS A 7 -6.429 -10.916 -39.334 1.00 4.24 H new ATOM 0 HB3 HIS A 7 -7.652 -10.055 -38.420 1.00 4.24 H new ATOM 0 HD2 HIS A 7 -10.020 -9.423 -39.897 1.00 12.12 H new ATOM 0 HE1 HIS A 7 -9.058 -11.887 -43.207 1.00 24.25 H new ATOM 0 HE2 HIS A 7 -10.889 -10.528 -42.089 1.00 31.35 H new ATOM 117 N HIS A 8 -5.933 -7.641 -37.540 1.00 0.33 N ATOM 118 CA HIS A 8 -5.129 -7.253 -36.371 1.00 3.14 C ATOM 119 C HIS A 8 -4.979 -8.411 -35.369 1.00 44.13 C ATOM 120 O HIS A 8 -5.833 -8.624 -34.502 1.00 64.43 O ATOM 121 CB HIS A 8 -5.737 -6.024 -35.678 1.00 11.20 C ATOM 122 CG HIS A 8 -5.578 -4.749 -36.456 1.00 33.33 C ATOM 123 ND1 HIS A 8 -4.648 -3.785 -36.136 1.00 15.24 N ATOM 124 CD2 HIS A 8 -6.237 -4.280 -37.543 1.00 41.25 C ATOM 125 CE1 HIS A 8 -4.741 -2.782 -36.985 1.00 15.31 C ATOM 126 NE2 HIS A 8 -5.696 -3.056 -37.849 1.00 31.52 N ATOM 0 H HIS A 8 -6.860 -7.217 -37.571 1.00 0.33 H new ATOM 0 HA HIS A 8 -4.133 -6.998 -36.733 1.00 3.14 H new ATOM 0 HB2 HIS A 8 -6.798 -6.204 -35.506 1.00 11.20 H new ATOM 0 HB3 HIS A 8 -5.271 -5.902 -34.700 1.00 11.20 H new ATOM 0 HD2 HIS A 8 -7.038 -4.776 -38.070 1.00 41.25 H new ATOM 0 HE1 HIS A 8 -4.137 -1.887 -36.974 1.00 15.31 H new ATOM 0 HE2 HIS A 8 -5.987 -2.456 -38.621 1.00 31.52 H new ATOM 135 N SER A 9 -3.892 -9.160 -35.508 1.00 23.23 N ATOM 136 CA SER A 9 -3.584 -10.279 -34.608 1.00 73.05 C ATOM 137 C SER A 9 -2.587 -9.851 -33.523 1.00 52.33 C ATOM 138 O SER A 9 -1.739 -8.985 -33.756 1.00 40.42 O ATOM 139 CB SER A 9 -2.997 -11.456 -35.401 1.00 12.30 C ATOM 140 OG SER A 9 -3.852 -11.846 -36.467 1.00 31.52 O ATOM 0 H SER A 9 -3.199 -9.015 -36.242 1.00 23.23 H new ATOM 0 HA SER A 9 -4.514 -10.589 -34.131 1.00 73.05 H new ATOM 0 HB2 SER A 9 -2.022 -11.177 -35.800 1.00 12.30 H new ATOM 0 HB3 SER A 9 -2.838 -12.302 -34.733 1.00 12.30 H new ATOM 0 HG SER A 9 -3.449 -12.596 -36.952 1.00 31.52 H new ATOM 146 N HIS A 10 -2.679 -10.464 -32.345 1.00 53.30 N ATOM 147 CA HIS A 10 -1.772 -10.146 -31.230 1.00 10.25 C ATOM 148 C HIS A 10 -0.816 -11.315 -30.939 1.00 41.24 C ATOM 149 O HIS A 10 -1.208 -12.478 -31.025 1.00 23.31 O ATOM 150 CB HIS A 10 -2.578 -9.791 -29.970 1.00 22.31 C ATOM 151 CG HIS A 10 -3.478 -10.888 -29.483 1.00 45.44 C ATOM 152 ND1 HIS A 10 -4.805 -10.990 -29.840 1.00 71.23 N ATOM 153 CD2 HIS A 10 -3.239 -11.927 -28.649 1.00 62.53 C ATOM 154 CE1 HIS A 10 -5.339 -12.038 -29.247 1.00 21.01 C ATOM 155 NE2 HIS A 10 -4.412 -12.625 -28.519 1.00 52.52 N ATOM 0 H HIS A 10 -3.370 -11.184 -32.132 1.00 53.30 H new ATOM 0 HA HIS A 10 -1.172 -9.284 -31.521 1.00 10.25 H new ATOM 0 HB2 HIS A 10 -1.884 -9.525 -29.172 1.00 22.31 H new ATOM 0 HB3 HIS A 10 -3.181 -8.907 -30.176 1.00 22.31 H new ATOM 0 HD2 HIS A 10 -2.298 -12.163 -28.174 1.00 62.53 H new ATOM 0 HE1 HIS A 10 -6.365 -12.362 -29.342 1.00 21.01 H new ATOM 0 HE2 HIS A 10 -4.545 -13.462 -27.951 1.00 52.52 H new ATOM 164 N MET A 11 0.432 -11.005 -30.583 1.00 32.21 N ATOM 165 CA MET A 11 1.442 -12.046 -30.341 1.00 41.11 C ATOM 166 C MET A 11 2.705 -11.492 -29.657 1.00 71.24 C ATOM 167 O MET A 11 2.865 -10.278 -29.509 1.00 72.43 O ATOM 168 CB MET A 11 1.824 -12.731 -31.666 1.00 14.12 C ATOM 169 CG MET A 11 2.354 -11.773 -32.726 1.00 32.30 C ATOM 170 SD MET A 11 2.756 -12.597 -34.280 1.00 63.40 S ATOM 171 CE MET A 11 1.163 -13.287 -34.725 1.00 73.21 C ATOM 0 H MET A 11 0.769 -10.051 -30.456 1.00 32.21 H new ATOM 0 HA MET A 11 0.996 -12.774 -29.663 1.00 41.11 H new ATOM 0 HB2 MET A 11 2.580 -13.491 -31.466 1.00 14.12 H new ATOM 0 HB3 MET A 11 0.950 -13.248 -32.062 1.00 14.12 H new ATOM 0 HG2 MET A 11 1.610 -10.999 -32.913 1.00 32.30 H new ATOM 0 HG3 MET A 11 3.245 -11.274 -32.344 1.00 32.30 H new ATOM 0 HE1 MET A 11 1.136 -13.477 -35.798 1.00 73.21 H new ATOM 0 HE2 MET A 11 1.008 -14.222 -34.187 1.00 73.21 H new ATOM 0 HE3 MET A 11 0.375 -12.582 -34.461 1.00 73.21 H new ATOM 181 N SER A 12 3.584 -12.408 -29.233 1.00 62.45 N ATOM 182 CA SER A 12 4.889 -12.071 -28.627 1.00 61.12 C ATOM 183 C SER A 12 4.776 -11.121 -27.421 1.00 34.43 C ATOM 184 O SER A 12 5.730 -10.413 -27.089 1.00 41.43 O ATOM 185 CB SER A 12 5.852 -11.487 -29.683 1.00 71.30 C ATOM 186 OG SER A 12 5.379 -10.260 -30.223 1.00 22.33 O ATOM 0 H SER A 12 3.414 -13.412 -29.299 1.00 62.45 H new ATOM 0 HA SER A 12 5.295 -13.008 -28.247 1.00 61.12 H new ATOM 0 HB2 SER A 12 6.831 -11.329 -29.231 1.00 71.30 H new ATOM 0 HB3 SER A 12 5.985 -12.209 -30.489 1.00 71.30 H new ATOM 0 HG SER A 12 4.599 -9.957 -29.713 1.00 22.33 H new ATOM 192 N THR A 13 3.634 -11.140 -26.730 1.00 73.44 N ATOM 193 CA THR A 13 3.431 -10.283 -25.549 1.00 0.12 C ATOM 194 C THR A 13 4.225 -10.803 -24.337 1.00 42.34 C ATOM 195 O THR A 13 4.130 -11.982 -23.995 1.00 12.30 O ATOM 196 CB THR A 13 1.935 -10.180 -25.158 1.00 33.14 C ATOM 197 OG1 THR A 13 1.406 -11.474 -24.819 1.00 61.12 O ATOM 198 CG2 THR A 13 1.118 -9.585 -26.295 1.00 62.41 C ATOM 0 H THR A 13 2.838 -11.734 -26.962 1.00 73.44 H new ATOM 0 HA THR A 13 3.793 -9.293 -25.825 1.00 0.12 H new ATOM 0 HB THR A 13 1.866 -9.526 -24.289 1.00 33.14 H new ATOM 0 HG1 THR A 13 2.139 -12.069 -24.557 1.00 61.12 H new ATOM 0 HG21 THR A 13 0.071 -9.523 -25.997 1.00 62.41 H new ATOM 0 HG22 THR A 13 1.490 -8.587 -26.526 1.00 62.41 H new ATOM 0 HG23 THR A 13 1.207 -10.219 -27.177 1.00 62.41 H new ATOM 206 N PRO A 14 5.005 -9.929 -23.653 1.00 53.45 N ATOM 207 CA PRO A 14 5.905 -10.331 -22.537 1.00 5.12 C ATOM 208 C PRO A 14 5.185 -10.688 -21.213 1.00 54.31 C ATOM 209 O PRO A 14 5.787 -10.611 -20.136 1.00 50.42 O ATOM 210 CB PRO A 14 6.801 -9.089 -22.335 1.00 25.41 C ATOM 211 CG PRO A 14 6.513 -8.183 -23.495 1.00 11.34 C ATOM 212 CD PRO A 14 5.101 -8.485 -23.909 1.00 24.40 C ATOM 0 HA PRO A 14 6.437 -11.247 -22.794 1.00 5.12 H new ATOM 0 HB2 PRO A 14 6.578 -8.596 -21.389 1.00 25.41 H new ATOM 0 HB3 PRO A 14 7.855 -9.367 -22.309 1.00 25.41 H new ATOM 0 HG2 PRO A 14 6.622 -7.136 -23.210 1.00 11.34 H new ATOM 0 HG3 PRO A 14 7.208 -8.364 -24.315 1.00 11.34 H new ATOM 0 HD2 PRO A 14 4.375 -7.919 -23.325 1.00 24.40 H new ATOM 0 HD3 PRO A 14 4.924 -8.245 -24.957 1.00 24.40 H new ATOM 220 N LEU A 15 3.915 -11.091 -21.296 1.00 3.33 N ATOM 221 CA LEU A 15 3.135 -11.514 -20.118 1.00 55.33 C ATOM 222 C LEU A 15 3.014 -10.406 -19.046 1.00 74.21 C ATOM 223 O LEU A 15 3.449 -9.267 -19.240 1.00 51.30 O ATOM 224 CB LEU A 15 3.736 -12.786 -19.479 1.00 13.14 C ATOM 225 CG LEU A 15 3.578 -14.094 -20.282 1.00 61.24 C ATOM 226 CD1 LEU A 15 4.433 -14.084 -21.548 1.00 13.30 C ATOM 227 CD2 LEU A 15 3.923 -15.301 -19.408 1.00 74.30 C ATOM 0 H LEU A 15 3.396 -11.135 -22.173 1.00 3.33 H new ATOM 0 HA LEU A 15 2.132 -11.729 -20.486 1.00 55.33 H new ATOM 0 HB2 LEU A 15 4.799 -12.614 -19.310 1.00 13.14 H new ATOM 0 HB3 LEU A 15 3.276 -12.927 -18.501 1.00 13.14 H new ATOM 0 HG LEU A 15 2.536 -14.171 -20.591 1.00 61.24 H new ATOM 0 HD11 LEU A 15 4.296 -15.021 -22.087 1.00 13.30 H new ATOM 0 HD12 LEU A 15 4.132 -13.252 -22.184 1.00 13.30 H new ATOM 0 HD13 LEU A 15 5.483 -13.972 -21.277 1.00 13.30 H new ATOM 0 HD21 LEU A 15 3.807 -16.216 -19.989 1.00 74.30 H new ATOM 0 HD22 LEU A 15 4.954 -15.218 -19.064 1.00 74.30 H new ATOM 0 HD23 LEU A 15 3.255 -15.330 -18.548 1.00 74.30 H new ATOM 239 N THR A 16 2.397 -10.759 -17.919 1.00 71.31 N ATOM 240 CA THR A 16 2.225 -9.843 -16.779 1.00 64.12 C ATOM 241 C THR A 16 2.748 -10.477 -15.479 1.00 22.34 C ATOM 242 O THR A 16 2.125 -11.387 -14.924 1.00 32.34 O ATOM 243 CB THR A 16 0.734 -9.460 -16.582 1.00 3.11 C ATOM 244 OG1 THR A 16 -0.071 -10.647 -16.450 1.00 53.14 O ATOM 245 CG2 THR A 16 0.220 -8.623 -17.749 1.00 12.12 C ATOM 0 H THR A 16 2.001 -11.686 -17.765 1.00 71.31 H new ATOM 0 HA THR A 16 2.800 -8.945 -17.005 1.00 64.12 H new ATOM 0 HB THR A 16 0.660 -8.866 -15.671 1.00 3.11 H new ATOM 0 HG1 THR A 16 0.361 -11.268 -15.827 1.00 53.14 H new ATOM 0 HG21 THR A 16 -0.827 -8.370 -17.582 1.00 12.12 H new ATOM 0 HG22 THR A 16 0.806 -7.707 -17.826 1.00 12.12 H new ATOM 0 HG23 THR A 16 0.313 -9.192 -18.674 1.00 12.12 H new ATOM 253 N GLY A 17 3.892 -9.997 -14.998 1.00 31.44 N ATOM 254 CA GLY A 17 4.509 -10.569 -13.801 1.00 33.24 C ATOM 255 C GLY A 17 4.353 -9.697 -12.556 1.00 0.02 C ATOM 256 O GLY A 17 3.684 -8.664 -12.590 1.00 12.24 O ATOM 0 H GLY A 17 4.408 -9.221 -15.413 1.00 31.44 H new ATOM 0 HA2 GLY A 17 4.068 -11.547 -13.607 1.00 33.24 H new ATOM 0 HA3 GLY A 17 5.570 -10.730 -13.991 1.00 33.24 H new ATOM 260 N LYS A 18 4.979 -10.115 -11.451 1.00 0.11 N ATOM 261 CA LYS A 18 4.921 -9.367 -10.185 1.00 73.12 C ATOM 262 C LYS A 18 6.325 -9.165 -9.581 1.00 71.31 C ATOM 263 O LYS A 18 7.240 -9.951 -9.842 1.00 74.40 O ATOM 264 CB LYS A 18 4.045 -10.105 -9.157 1.00 71.04 C ATOM 265 CG LYS A 18 4.573 -11.490 -8.772 1.00 53.41 C ATOM 266 CD LYS A 18 3.971 -11.999 -7.461 1.00 41.31 C ATOM 267 CE LYS A 18 2.453 -12.119 -7.521 1.00 31.32 C ATOM 268 NZ LYS A 18 2.011 -13.095 -8.553 1.00 22.42 N ATOM 0 H LYS A 18 5.534 -10.970 -11.405 1.00 0.11 H new ATOM 0 HA LYS A 18 4.488 -8.393 -10.412 1.00 73.12 H new ATOM 0 HB2 LYS A 18 3.965 -9.495 -8.258 1.00 71.04 H new ATOM 0 HB3 LYS A 18 3.038 -10.210 -9.561 1.00 71.04 H new ATOM 0 HG2 LYS A 18 4.348 -12.197 -9.571 1.00 53.41 H new ATOM 0 HG3 LYS A 18 5.658 -11.449 -8.679 1.00 53.41 H new ATOM 0 HD2 LYS A 18 4.400 -12.972 -7.222 1.00 41.31 H new ATOM 0 HD3 LYS A 18 4.247 -11.322 -6.652 1.00 41.31 H new ATOM 0 HE2 LYS A 18 2.075 -12.426 -6.546 1.00 31.32 H new ATOM 0 HE3 LYS A 18 2.020 -11.142 -7.737 1.00 31.32 H new ATOM 0 HZ1 LYS A 18 0.983 -13.235 -8.481 1.00 22.42 H new ATOM 0 HZ2 LYS A 18 2.245 -12.731 -9.498 1.00 22.42 H new ATOM 0 HZ3 LYS A 18 2.495 -14.003 -8.402 1.00 22.42 H new ATOM 282 N PRO A 19 6.516 -8.100 -8.779 1.00 62.25 N ATOM 283 CA PRO A 19 7.735 -7.909 -7.989 1.00 13.10 C ATOM 284 C PRO A 19 7.618 -8.516 -6.575 1.00 73.24 C ATOM 285 O PRO A 19 6.671 -8.226 -5.838 1.00 74.10 O ATOM 286 CB PRO A 19 7.837 -6.385 -7.928 1.00 11.14 C ATOM 287 CG PRO A 19 6.415 -5.906 -7.916 1.00 14.54 C ATOM 288 CD PRO A 19 5.581 -6.971 -8.604 1.00 33.23 C ATOM 0 HA PRO A 19 8.607 -8.400 -8.421 1.00 13.10 H new ATOM 0 HB2 PRO A 19 8.372 -6.060 -7.036 1.00 11.14 H new ATOM 0 HB3 PRO A 19 8.380 -5.990 -8.787 1.00 11.14 H new ATOM 0 HG2 PRO A 19 6.070 -5.747 -6.894 1.00 14.54 H new ATOM 0 HG3 PRO A 19 6.325 -4.952 -8.435 1.00 14.54 H new ATOM 0 HD2 PRO A 19 4.720 -7.256 -7.999 1.00 33.23 H new ATOM 0 HD3 PRO A 19 5.196 -6.620 -9.561 1.00 33.23 H new ATOM 296 N GLY A 20 8.582 -9.351 -6.190 1.00 75.14 N ATOM 297 CA GLY A 20 8.545 -9.997 -4.875 1.00 60.01 C ATOM 298 C GLY A 20 9.005 -9.095 -3.728 1.00 53.23 C ATOM 299 O GLY A 20 9.808 -9.513 -2.890 1.00 0.53 O ATOM 0 H GLY A 20 9.391 -9.595 -6.761 1.00 75.14 H new ATOM 0 HA2 GLY A 20 7.528 -10.333 -4.675 1.00 60.01 H new ATOM 0 HA3 GLY A 20 9.175 -10.886 -4.900 1.00 60.01 H new ATOM 303 N ALA A 21 8.482 -7.870 -3.681 1.00 25.43 N ATOM 304 CA ALA A 21 8.841 -6.892 -2.645 1.00 32.31 C ATOM 305 C ALA A 21 8.025 -5.599 -2.807 1.00 62.34 C ATOM 306 O ALA A 21 7.288 -5.439 -3.781 1.00 22.24 O ATOM 307 CB ALA A 21 10.337 -6.580 -2.694 1.00 74.43 C ATOM 0 H ALA A 21 7.799 -7.525 -4.356 1.00 25.43 H new ATOM 0 HA ALA A 21 8.607 -7.329 -1.674 1.00 32.31 H new ATOM 0 HB1 ALA A 21 10.583 -5.854 -1.919 1.00 74.43 H new ATOM 0 HB2 ALA A 21 10.905 -7.495 -2.527 1.00 74.43 H new ATOM 0 HB3 ALA A 21 10.591 -6.168 -3.671 1.00 74.43 H new ATOM 313 N LEU A 22 8.154 -4.679 -1.849 1.00 73.45 N ATOM 314 CA LEU A 22 7.454 -3.390 -1.924 1.00 71.04 C ATOM 315 C LEU A 22 8.318 -2.312 -2.598 1.00 63.21 C ATOM 316 O LEU A 22 9.522 -2.217 -2.340 1.00 41.01 O ATOM 317 CB LEU A 22 7.045 -2.910 -0.523 1.00 3.11 C ATOM 318 CG LEU A 22 5.959 -3.741 0.174 1.00 55.14 C ATOM 319 CD1 LEU A 22 5.591 -3.117 1.515 1.00 65.31 C ATOM 320 CD2 LEU A 22 4.718 -3.871 -0.708 1.00 13.35 C ATOM 0 H LEU A 22 8.732 -4.799 -1.017 1.00 73.45 H new ATOM 0 HA LEU A 22 6.562 -3.547 -2.530 1.00 71.04 H new ATOM 0 HB2 LEU A 22 7.932 -2.900 0.111 1.00 3.11 H new ATOM 0 HB3 LEU A 22 6.696 -1.880 -0.599 1.00 3.11 H new ATOM 0 HG LEU A 22 6.358 -4.740 0.349 1.00 55.14 H new ATOM 0 HD11 LEU A 22 4.820 -3.718 1.997 1.00 65.31 H new ATOM 0 HD12 LEU A 22 6.474 -3.080 2.153 1.00 65.31 H new ATOM 0 HD13 LEU A 22 5.216 -2.106 1.355 1.00 65.31 H new ATOM 0 HD21 LEU A 22 3.964 -4.464 -0.190 1.00 13.35 H new ATOM 0 HD22 LEU A 22 4.317 -2.880 -0.920 1.00 13.35 H new ATOM 0 HD23 LEU A 22 4.986 -4.362 -1.644 1.00 13.35 H new ATOM 332 N PRO A 23 7.713 -1.490 -3.479 1.00 72.42 N ATOM 333 CA PRO A 23 8.397 -0.338 -4.091 1.00 24.54 C ATOM 334 C PRO A 23 8.998 0.617 -3.042 1.00 32.33 C ATOM 335 O PRO A 23 8.413 0.844 -1.979 1.00 33.33 O ATOM 336 CB PRO A 23 7.281 0.360 -4.881 1.00 43.42 C ATOM 337 CG PRO A 23 6.295 -0.719 -5.171 1.00 74.23 C ATOM 338 CD PRO A 23 6.327 -1.632 -3.972 1.00 61.34 C ATOM 0 HA PRO A 23 9.243 -0.647 -4.705 1.00 24.54 H new ATOM 0 HB2 PRO A 23 6.829 1.165 -4.302 1.00 43.42 H new ATOM 0 HB3 PRO A 23 7.664 0.805 -5.800 1.00 43.42 H new ATOM 0 HG2 PRO A 23 5.297 -0.307 -5.323 1.00 74.23 H new ATOM 0 HG3 PRO A 23 6.560 -1.258 -6.081 1.00 74.23 H new ATOM 0 HD2 PRO A 23 5.599 -1.333 -3.218 1.00 61.34 H new ATOM 0 HD3 PRO A 23 6.100 -2.663 -4.244 1.00 61.34 H new ATOM 346 N ALA A 24 10.161 1.180 -3.346 1.00 22.44 N ATOM 347 CA ALA A 24 10.861 2.067 -2.407 1.00 63.11 C ATOM 348 C ALA A 24 10.165 3.431 -2.261 1.00 41.31 C ATOM 349 O ALA A 24 10.316 4.114 -1.244 1.00 43.20 O ATOM 350 CB ALA A 24 12.308 2.251 -2.850 1.00 13.45 C ATOM 0 H ALA A 24 10.644 1.042 -4.234 1.00 22.44 H new ATOM 0 HA ALA A 24 10.837 1.593 -1.426 1.00 63.11 H new ATOM 0 HB1 ALA A 24 12.822 2.910 -2.150 1.00 13.45 H new ATOM 0 HB2 ALA A 24 12.808 1.283 -2.871 1.00 13.45 H new ATOM 0 HB3 ALA A 24 12.330 2.692 -3.846 1.00 13.45 H new ATOM 356 N ASN A 25 9.388 3.824 -3.270 1.00 43.02 N ATOM 357 CA ASN A 25 8.742 5.146 -3.281 1.00 33.33 C ATOM 358 C ASN A 25 7.246 5.091 -2.906 1.00 2.31 C ATOM 359 O ASN A 25 6.482 5.970 -3.304 1.00 21.30 O ATOM 360 CB ASN A 25 8.903 5.791 -4.663 1.00 75.15 C ATOM 361 CG ASN A 25 10.354 6.079 -5.000 1.00 60.44 C ATOM 362 OD1 ASN A 25 10.885 7.135 -4.670 1.00 72.11 O ATOM 363 ND2 ASN A 25 11.006 5.145 -5.660 1.00 51.24 N ATOM 0 H ASN A 25 9.188 3.251 -4.090 1.00 43.02 H new ATOM 0 HA ASN A 25 9.240 5.747 -2.520 1.00 33.33 H new ATOM 0 HB2 ASN A 25 8.481 5.131 -5.421 1.00 75.15 H new ATOM 0 HB3 ASN A 25 8.334 6.720 -4.696 1.00 75.15 H new ATOM 0 HD21 ASN A 25 11.984 5.287 -5.913 1.00 51.24 H new ATOM 0 HD22 ASN A 25 10.533 4.279 -5.918 1.00 51.24 H new ATOM 370 N LEU A 26 6.836 4.093 -2.118 1.00 24.41 N ATOM 371 CA LEU A 26 5.431 3.988 -1.667 1.00 65.12 C ATOM 372 C LEU A 26 4.916 5.311 -1.076 1.00 4.13 C ATOM 373 O LEU A 26 3.789 5.728 -1.343 1.00 11.53 O ATOM 374 CB LEU A 26 5.273 2.867 -0.627 1.00 4.11 C ATOM 375 CG LEU A 26 5.422 1.436 -1.168 1.00 1.11 C ATOM 376 CD1 LEU A 26 5.278 0.418 -0.040 1.00 32.10 C ATOM 377 CD2 LEU A 26 4.397 1.167 -2.269 1.00 20.45 C ATOM 0 H LEU A 26 7.445 3.349 -1.778 1.00 24.41 H new ATOM 0 HA LEU A 26 4.834 3.752 -2.548 1.00 65.12 H new ATOM 0 HB2 LEU A 26 6.012 3.018 0.159 1.00 4.11 H new ATOM 0 HB3 LEU A 26 4.291 2.961 -0.164 1.00 4.11 H new ATOM 0 HG LEU A 26 6.419 1.334 -1.597 1.00 1.11 H new ATOM 0 HD11 LEU A 26 5.386 -0.589 -0.443 1.00 32.10 H new ATOM 0 HD12 LEU A 26 6.049 0.594 0.710 1.00 32.10 H new ATOM 0 HD13 LEU A 26 4.295 0.521 0.420 1.00 32.10 H new ATOM 0 HD21 LEU A 26 4.519 0.149 -2.639 1.00 20.45 H new ATOM 0 HD22 LEU A 26 3.391 1.289 -1.867 1.00 20.45 H new ATOM 0 HD23 LEU A 26 4.549 1.871 -3.087 1.00 20.45 H new ATOM 389 N ASP A 27 5.751 5.966 -0.273 1.00 35.53 N ATOM 390 CA ASP A 27 5.400 7.256 0.330 1.00 45.04 C ATOM 391 C ASP A 27 5.274 8.359 -0.741 1.00 64.25 C ATOM 392 O ASP A 27 4.437 9.253 -0.637 1.00 4.01 O ATOM 393 CB ASP A 27 6.462 7.646 1.364 1.00 40.34 C ATOM 394 CG ASP A 27 6.794 6.499 2.304 1.00 75.22 C ATOM 395 OD1 ASP A 27 7.599 5.628 1.916 1.00 21.32 O ATOM 396 OD2 ASP A 27 6.249 6.454 3.428 1.00 2.11 O ATOM 0 H ASP A 27 6.679 5.626 -0.022 1.00 35.53 H new ATOM 0 HA ASP A 27 4.432 7.154 0.820 1.00 45.04 H new ATOM 0 HB2 ASP A 27 7.368 7.966 0.849 1.00 40.34 H new ATOM 0 HB3 ASP A 27 6.107 8.498 1.944 1.00 40.34 H new ATOM 401 N ASP A 28 6.113 8.276 -1.771 1.00 21.44 N ATOM 402 CA ASP A 28 6.117 9.255 -2.865 1.00 24.42 C ATOM 403 C ASP A 28 4.890 9.074 -3.781 1.00 63.14 C ATOM 404 O ASP A 28 4.375 10.042 -4.348 1.00 63.43 O ATOM 405 CB ASP A 28 7.413 9.105 -3.676 1.00 35.41 C ATOM 406 CG ASP A 28 7.565 10.164 -4.755 1.00 22.14 C ATOM 407 OD1 ASP A 28 8.075 11.261 -4.449 1.00 61.35 O ATOM 408 OD2 ASP A 28 7.193 9.900 -5.916 1.00 54.43 O ATOM 0 H ASP A 28 6.806 7.535 -1.874 1.00 21.44 H new ATOM 0 HA ASP A 28 6.066 10.256 -2.437 1.00 24.42 H new ATOM 0 HB2 ASP A 28 8.266 9.158 -3.000 1.00 35.41 H new ATOM 0 HB3 ASP A 28 7.434 8.118 -4.138 1.00 35.41 H new ATOM 413 N MET A 29 4.427 7.832 -3.907 1.00 52.55 N ATOM 414 CA MET A 29 3.299 7.498 -4.786 1.00 10.51 C ATOM 415 C MET A 29 1.989 8.174 -4.338 1.00 42.24 C ATOM 416 O MET A 29 1.820 8.541 -3.171 1.00 42.40 O ATOM 417 CB MET A 29 3.116 5.975 -4.846 1.00 51.33 C ATOM 418 CG MET A 29 4.311 5.246 -5.451 1.00 33.55 C ATOM 419 SD MET A 29 4.175 3.448 -5.346 1.00 51.10 S ATOM 420 CE MET A 29 2.673 3.155 -6.281 1.00 33.30 C ATOM 0 H MET A 29 4.817 7.032 -3.409 1.00 52.55 H new ATOM 0 HA MET A 29 3.534 7.879 -5.780 1.00 10.51 H new ATOM 0 HB2 MET A 29 2.941 5.597 -3.839 1.00 51.33 H new ATOM 0 HB3 MET A 29 2.225 5.746 -5.431 1.00 51.33 H new ATOM 0 HG2 MET A 29 4.414 5.536 -6.497 1.00 33.55 H new ATOM 0 HG3 MET A 29 5.220 5.566 -4.941 1.00 33.55 H new ATOM 0 HE1 MET A 29 2.583 2.091 -6.501 1.00 33.30 H new ATOM 0 HE2 MET A 29 1.812 3.479 -5.697 1.00 33.30 H new ATOM 0 HE3 MET A 29 2.710 3.717 -7.214 1.00 33.30 H new ATOM 430 N LYS A 30 1.068 8.344 -5.282 1.00 3.40 N ATOM 431 CA LYS A 30 -0.217 8.997 -5.019 1.00 74.14 C ATOM 432 C LYS A 30 -1.226 8.034 -4.370 1.00 22.43 C ATOM 433 O LYS A 30 -1.113 6.813 -4.501 1.00 64.13 O ATOM 434 CB LYS A 30 -0.778 9.556 -6.334 1.00 11.22 C ATOM 435 CG LYS A 30 0.127 10.606 -6.982 1.00 63.11 C ATOM 436 CD LYS A 30 -0.246 10.879 -8.440 1.00 53.34 C ATOM 437 CE LYS A 30 -1.666 11.406 -8.590 1.00 64.53 C ATOM 438 NZ LYS A 30 -2.003 11.669 -10.014 1.00 20.13 N ATOM 0 H LYS A 30 1.187 8.036 -6.247 1.00 3.40 H new ATOM 0 HA LYS A 30 -0.051 9.810 -4.313 1.00 74.14 H new ATOM 0 HB2 LYS A 30 -0.929 8.735 -7.035 1.00 11.22 H new ATOM 0 HB3 LYS A 30 -1.757 9.997 -6.145 1.00 11.22 H new ATOM 0 HG2 LYS A 30 0.066 11.534 -6.414 1.00 63.11 H new ATOM 0 HG3 LYS A 30 1.163 10.270 -6.932 1.00 63.11 H new ATOM 0 HD2 LYS A 30 0.453 11.602 -8.861 1.00 53.34 H new ATOM 0 HD3 LYS A 30 -0.140 9.960 -9.017 1.00 53.34 H new ATOM 0 HE2 LYS A 30 -2.369 10.683 -8.176 1.00 64.53 H new ATOM 0 HE3 LYS A 30 -1.777 12.324 -8.013 1.00 64.53 H new ATOM 0 HZ1 LYS A 30 -2.977 12.027 -10.080 1.00 20.13 H new ATOM 0 HZ2 LYS A 30 -1.347 12.377 -10.401 1.00 20.13 H new ATOM 0 HZ3 LYS A 30 -1.921 10.787 -10.559 1.00 20.13 H new ATOM 452 N VAL A 31 -2.219 8.603 -3.686 1.00 11.34 N ATOM 453 CA VAL A 31 -3.221 7.820 -2.948 1.00 43.22 C ATOM 454 C VAL A 31 -3.876 6.737 -3.827 1.00 33.11 C ATOM 455 O VAL A 31 -3.937 5.563 -3.450 1.00 51.33 O ATOM 456 CB VAL A 31 -4.332 8.734 -2.369 1.00 13.53 C ATOM 457 CG1 VAL A 31 -5.226 7.961 -1.401 1.00 74.14 C ATOM 458 CG2 VAL A 31 -3.730 9.965 -1.693 1.00 62.21 C ATOM 0 H VAL A 31 -2.355 9.612 -3.625 1.00 11.34 H new ATOM 0 HA VAL A 31 -2.685 7.332 -2.134 1.00 43.22 H new ATOM 0 HB VAL A 31 -4.952 9.076 -3.198 1.00 13.53 H new ATOM 0 HG11 VAL A 31 -5.997 8.624 -1.009 1.00 74.14 H new ATOM 0 HG12 VAL A 31 -5.696 7.129 -1.925 1.00 74.14 H new ATOM 0 HG13 VAL A 31 -4.624 7.577 -0.577 1.00 74.14 H new ATOM 0 HG21 VAL A 31 -4.530 10.590 -1.295 1.00 62.21 H new ATOM 0 HG22 VAL A 31 -3.077 9.650 -0.879 1.00 62.21 H new ATOM 0 HG23 VAL A 31 -3.153 10.535 -2.422 1.00 62.21 H new ATOM 468 N ALA A 32 -4.359 7.140 -5.003 1.00 51.20 N ATOM 469 CA ALA A 32 -5.014 6.213 -5.936 1.00 75.42 C ATOM 470 C ALA A 32 -4.054 5.129 -6.458 1.00 73.22 C ATOM 471 O ALA A 32 -4.485 4.026 -6.804 1.00 14.20 O ATOM 472 CB ALA A 32 -5.624 6.983 -7.103 1.00 61.15 C ATOM 0 H ALA A 32 -4.310 8.103 -5.335 1.00 51.20 H new ATOM 0 HA ALA A 32 -5.804 5.704 -5.383 1.00 75.42 H new ATOM 0 HB1 ALA A 32 -6.106 6.285 -7.787 1.00 61.15 H new ATOM 0 HB2 ALA A 32 -6.363 7.690 -6.726 1.00 61.15 H new ATOM 0 HB3 ALA A 32 -4.839 7.525 -7.631 1.00 61.15 H new ATOM 478 N GLU A 33 -2.758 5.443 -6.510 1.00 22.12 N ATOM 479 CA GLU A 33 -1.751 4.480 -6.976 1.00 55.42 C ATOM 480 C GLU A 33 -1.519 3.384 -5.928 1.00 63.12 C ATOM 481 O GLU A 33 -1.421 2.202 -6.260 1.00 74.44 O ATOM 482 CB GLU A 33 -0.430 5.194 -7.301 1.00 21.13 C ATOM 483 CG GLU A 33 -0.564 6.285 -8.362 1.00 25.25 C ATOM 484 CD GLU A 33 0.781 6.818 -8.831 1.00 71.15 C ATOM 485 OE1 GLU A 33 1.411 7.601 -8.093 1.00 63.23 O ATOM 486 OE2 GLU A 33 1.215 6.448 -9.941 1.00 23.25 O ATOM 0 H GLU A 33 -2.380 6.350 -6.238 1.00 22.12 H new ATOM 0 HA GLU A 33 -2.127 4.012 -7.886 1.00 55.42 H new ATOM 0 HB2 GLU A 33 -0.032 5.636 -6.387 1.00 21.13 H new ATOM 0 HB3 GLU A 33 0.297 4.456 -7.641 1.00 21.13 H new ATOM 0 HG2 GLU A 33 -1.111 5.889 -9.217 1.00 25.25 H new ATOM 0 HG3 GLU A 33 -1.155 7.107 -7.959 1.00 25.25 H new ATOM 493 N LEU A 34 -1.445 3.782 -4.659 1.00 61.04 N ATOM 494 CA LEU A 34 -1.336 2.823 -3.551 1.00 2.05 C ATOM 495 C LEU A 34 -2.549 1.880 -3.524 1.00 65.41 C ATOM 496 O LEU A 34 -2.433 0.696 -3.200 1.00 15.44 O ATOM 497 CB LEU A 34 -1.216 3.570 -2.217 1.00 0.22 C ATOM 498 CG LEU A 34 -0.012 4.519 -2.106 1.00 53.35 C ATOM 499 CD1 LEU A 34 -0.054 5.292 -0.791 1.00 50.34 C ATOM 500 CD2 LEU A 34 1.299 3.745 -2.238 1.00 25.23 C ATOM 0 H LEU A 34 -1.458 4.760 -4.369 1.00 61.04 H new ATOM 0 HA LEU A 34 -0.439 2.222 -3.703 1.00 2.05 H new ATOM 0 HB2 LEU A 34 -2.128 4.145 -2.057 1.00 0.22 H new ATOM 0 HB3 LEU A 34 -1.156 2.837 -1.412 1.00 0.22 H new ATOM 0 HG LEU A 34 -0.067 5.237 -2.924 1.00 53.35 H new ATOM 0 HD11 LEU A 34 0.807 5.958 -0.733 1.00 50.34 H new ATOM 0 HD12 LEU A 34 -0.971 5.880 -0.743 1.00 50.34 H new ATOM 0 HD13 LEU A 34 -0.028 4.592 0.044 1.00 50.34 H new ATOM 0 HD21 LEU A 34 2.139 4.435 -2.157 1.00 25.23 H new ATOM 0 HD22 LEU A 34 1.363 3.000 -1.445 1.00 25.23 H new ATOM 0 HD23 LEU A 34 1.331 3.247 -3.207 1.00 25.23 H new ATOM 512 N LYS A 35 -3.714 2.417 -3.882 1.00 22.44 N ATOM 513 CA LYS A 35 -4.941 1.622 -3.982 1.00 12.44 C ATOM 514 C LYS A 35 -4.844 0.566 -5.095 1.00 25.32 C ATOM 515 O LYS A 35 -5.451 -0.504 -5.003 1.00 1.32 O ATOM 516 CB LYS A 35 -6.146 2.547 -4.209 1.00 44.22 C ATOM 517 CG LYS A 35 -6.400 3.485 -3.033 1.00 32.44 C ATOM 518 CD LYS A 35 -7.586 4.415 -3.268 1.00 53.34 C ATOM 519 CE LYS A 35 -7.857 5.275 -2.038 1.00 62.32 C ATOM 520 NZ LYS A 35 -8.970 6.235 -2.245 1.00 3.41 N ATOM 0 H LYS A 35 -3.836 3.404 -4.109 1.00 22.44 H new ATOM 0 HA LYS A 35 -5.076 1.087 -3.042 1.00 12.44 H new ATOM 0 HB2 LYS A 35 -5.980 3.138 -5.110 1.00 44.22 H new ATOM 0 HB3 LYS A 35 -7.035 1.942 -4.384 1.00 44.22 H new ATOM 0 HG2 LYS A 35 -6.579 2.894 -2.134 1.00 32.44 H new ATOM 0 HG3 LYS A 35 -5.506 4.082 -2.850 1.00 32.44 H new ATOM 0 HD2 LYS A 35 -7.386 5.055 -4.127 1.00 53.34 H new ATOM 0 HD3 LYS A 35 -8.472 3.827 -3.508 1.00 53.34 H new ATOM 0 HE2 LYS A 35 -8.092 4.629 -1.192 1.00 62.32 H new ATOM 0 HE3 LYS A 35 -6.952 5.824 -1.777 1.00 62.32 H new ATOM 0 HZ1 LYS A 35 -9.112 6.794 -1.379 1.00 3.41 H new ATOM 0 HZ2 LYS A 35 -8.737 6.872 -3.034 1.00 3.41 H new ATOM 0 HZ3 LYS A 35 -9.842 5.713 -2.467 1.00 3.41 H new ATOM 534 N GLN A 36 -4.075 0.867 -6.142 1.00 63.14 N ATOM 535 CA GLN A 36 -3.802 -0.111 -7.200 1.00 12.41 C ATOM 536 C GLN A 36 -2.955 -1.273 -6.651 1.00 72.40 C ATOM 537 O GLN A 36 -3.228 -2.443 -6.929 1.00 22.23 O ATOM 538 CB GLN A 36 -3.092 0.566 -8.386 1.00 50.10 C ATOM 539 CG GLN A 36 -2.741 -0.383 -9.533 1.00 21.15 C ATOM 540 CD GLN A 36 -3.957 -1.056 -10.155 1.00 32.12 C ATOM 541 OE1 GLN A 36 -5.053 -0.504 -10.180 1.00 13.42 O ATOM 542 NE2 GLN A 36 -3.769 -2.258 -10.665 1.00 34.32 N ATOM 0 H GLN A 36 -3.631 1.775 -6.282 1.00 63.14 H new ATOM 0 HA GLN A 36 -4.751 -0.515 -7.554 1.00 12.41 H new ATOM 0 HB2 GLN A 36 -3.730 1.362 -8.770 1.00 50.10 H new ATOM 0 HB3 GLN A 36 -2.177 1.037 -8.026 1.00 50.10 H new ATOM 0 HG2 GLN A 36 -2.208 0.173 -10.305 1.00 21.15 H new ATOM 0 HG3 GLN A 36 -2.059 -1.150 -9.165 1.00 21.15 H new ATOM 0 HE21 GLN A 36 -2.845 -2.689 -10.628 1.00 34.32 H new ATOM 0 HE22 GLN A 36 -4.547 -2.756 -11.096 1.00 34.32 H new ATOM 551 N GLU A 37 -1.929 -0.936 -5.867 1.00 41.03 N ATOM 552 CA GLU A 37 -1.110 -1.934 -5.163 1.00 42.50 C ATOM 553 C GLU A 37 -1.990 -2.857 -4.301 1.00 63.23 C ATOM 554 O GLU A 37 -1.918 -4.086 -4.394 1.00 24.22 O ATOM 555 CB GLU A 37 -0.083 -1.225 -4.260 1.00 54.32 C ATOM 556 CG GLU A 37 0.945 -0.377 -5.005 1.00 65.31 C ATOM 557 CD GLU A 37 1.972 -1.220 -5.745 1.00 61.14 C ATOM 558 OE1 GLU A 37 2.995 -1.592 -5.127 1.00 3.03 O ATOM 559 OE2 GLU A 37 1.751 -1.531 -6.935 1.00 4.21 O ATOM 0 H GLU A 37 -1.641 0.028 -5.701 1.00 41.03 H new ATOM 0 HA GLU A 37 -0.593 -2.537 -5.910 1.00 42.50 H new ATOM 0 HB2 GLU A 37 -0.618 -0.587 -3.556 1.00 54.32 H new ATOM 0 HB3 GLU A 37 0.444 -1.977 -3.672 1.00 54.32 H new ATOM 0 HG2 GLU A 37 0.431 0.270 -5.716 1.00 65.31 H new ATOM 0 HG3 GLU A 37 1.457 0.273 -4.296 1.00 65.31 H new ATOM 566 N LEU A 38 -2.826 -2.239 -3.472 1.00 33.44 N ATOM 567 CA LEU A 38 -3.690 -2.957 -2.527 1.00 23.54 C ATOM 568 C LEU A 38 -4.649 -3.949 -3.214 1.00 12.12 C ATOM 569 O LEU A 38 -4.700 -5.128 -2.847 1.00 24.13 O ATOM 570 CB LEU A 38 -4.508 -1.944 -1.725 1.00 35.34 C ATOM 571 CG LEU A 38 -3.705 -1.034 -0.777 1.00 21.30 C ATOM 572 CD1 LEU A 38 -4.590 0.076 -0.224 1.00 61.11 C ATOM 573 CD2 LEU A 38 -3.087 -1.840 0.366 1.00 32.43 C ATOM 0 H LEU A 38 -2.927 -1.225 -3.433 1.00 33.44 H new ATOM 0 HA LEU A 38 -3.037 -3.540 -1.878 1.00 23.54 H new ATOM 0 HB2 LEU A 38 -5.057 -1.314 -2.424 1.00 35.34 H new ATOM 0 HB3 LEU A 38 -5.248 -2.487 -1.137 1.00 35.34 H new ATOM 0 HG LEU A 38 -2.896 -0.583 -1.351 1.00 21.30 H new ATOM 0 HD11 LEU A 38 -4.005 0.709 0.444 1.00 61.11 H new ATOM 0 HD12 LEU A 38 -4.977 0.677 -1.047 1.00 61.11 H new ATOM 0 HD13 LEU A 38 -5.422 -0.362 0.327 1.00 61.11 H new ATOM 0 HD21 LEU A 38 -2.526 -1.173 1.020 1.00 32.43 H new ATOM 0 HD22 LEU A 38 -3.878 -2.327 0.937 1.00 32.43 H new ATOM 0 HD23 LEU A 38 -2.416 -2.596 -0.043 1.00 32.43 H new ATOM 585 N LYS A 39 -5.419 -3.468 -4.193 1.00 72.11 N ATOM 586 CA LYS A 39 -6.457 -4.292 -4.839 1.00 44.41 C ATOM 587 C LYS A 39 -5.880 -5.562 -5.492 1.00 24.33 C ATOM 588 O LYS A 39 -6.531 -6.609 -5.516 1.00 14.41 O ATOM 589 CB LYS A 39 -7.231 -3.478 -5.883 1.00 62.11 C ATOM 590 CG LYS A 39 -6.371 -2.956 -7.032 1.00 42.42 C ATOM 591 CD LYS A 39 -7.200 -2.191 -8.057 1.00 31.22 C ATOM 592 CE LYS A 39 -7.922 -1.004 -7.428 1.00 14.11 C ATOM 593 NZ LYS A 39 -8.775 -0.290 -8.413 1.00 31.40 N ATOM 0 H LYS A 39 -5.348 -2.518 -4.558 1.00 72.11 H new ATOM 0 HA LYS A 39 -7.138 -4.607 -4.048 1.00 44.41 H new ATOM 0 HB2 LYS A 39 -8.028 -4.098 -6.293 1.00 62.11 H new ATOM 0 HB3 LYS A 39 -7.708 -2.632 -5.388 1.00 62.11 H new ATOM 0 HG2 LYS A 39 -5.592 -2.305 -6.636 1.00 42.42 H new ATOM 0 HG3 LYS A 39 -5.870 -3.792 -7.520 1.00 42.42 H new ATOM 0 HD2 LYS A 39 -6.552 -1.839 -8.859 1.00 31.22 H new ATOM 0 HD3 LYS A 39 -7.930 -2.863 -8.509 1.00 31.22 H new ATOM 0 HE2 LYS A 39 -8.538 -1.352 -6.599 1.00 14.11 H new ATOM 0 HE3 LYS A 39 -7.189 -0.312 -7.013 1.00 14.11 H new ATOM 0 HZ1 LYS A 39 -9.249 0.510 -7.947 1.00 31.40 H new ATOM 0 HZ2 LYS A 39 -8.184 0.064 -9.192 1.00 31.40 H new ATOM 0 HZ3 LYS A 39 -9.491 -0.943 -8.791 1.00 31.40 H new ATOM 607 N LEU A 40 -4.659 -5.468 -6.015 1.00 51.23 N ATOM 608 CA LEU A 40 -3.987 -6.622 -6.632 1.00 75.22 C ATOM 609 C LEU A 40 -3.632 -7.695 -5.586 1.00 22.34 C ATOM 610 O LEU A 40 -3.246 -8.812 -5.928 1.00 13.23 O ATOM 611 CB LEU A 40 -2.716 -6.159 -7.360 1.00 11.21 C ATOM 612 CG LEU A 40 -2.940 -5.172 -8.523 1.00 15.43 C ATOM 613 CD1 LEU A 40 -1.606 -4.742 -9.133 1.00 55.31 C ATOM 614 CD2 LEU A 40 -3.851 -5.781 -9.587 1.00 54.33 C ATOM 0 H LEU A 40 -4.111 -4.608 -6.026 1.00 51.23 H new ATOM 0 HA LEU A 40 -4.676 -7.068 -7.349 1.00 75.22 H new ATOM 0 HB2 LEU A 40 -2.051 -5.692 -6.633 1.00 11.21 H new ATOM 0 HB3 LEU A 40 -2.199 -7.037 -7.746 1.00 11.21 H new ATOM 0 HG LEU A 40 -3.433 -4.286 -8.124 1.00 15.43 H new ATOM 0 HD11 LEU A 40 -1.788 -4.046 -9.952 1.00 55.31 H new ATOM 0 HD12 LEU A 40 -0.998 -4.255 -8.371 1.00 55.31 H new ATOM 0 HD13 LEU A 40 -1.080 -5.618 -9.512 1.00 55.31 H new ATOM 0 HD21 LEU A 40 -3.994 -5.065 -10.397 1.00 54.33 H new ATOM 0 HD22 LEU A 40 -3.394 -6.689 -9.981 1.00 54.33 H new ATOM 0 HD23 LEU A 40 -4.816 -6.024 -9.143 1.00 54.33 H new ATOM 626 N ARG A 41 -3.767 -7.339 -4.310 1.00 75.54 N ATOM 627 CA ARG A 41 -3.410 -8.224 -3.195 1.00 73.01 C ATOM 628 C ARG A 41 -4.611 -8.448 -2.258 1.00 40.13 C ATOM 629 O ARG A 41 -4.455 -8.927 -1.132 1.00 23.22 O ATOM 630 CB ARG A 41 -2.237 -7.587 -2.434 1.00 40.04 C ATOM 631 CG ARG A 41 -1.100 -7.164 -3.365 1.00 72.02 C ATOM 632 CD ARG A 41 -0.172 -6.125 -2.746 1.00 3.12 C ATOM 633 NE ARG A 41 0.502 -5.359 -3.791 1.00 65.11 N ATOM 634 CZ ARG A 41 1.518 -4.567 -3.610 1.00 61.11 C ATOM 635 NH1 ARG A 41 1.997 -4.353 -2.425 1.00 21.32 N ATOM 636 NH2 ARG A 41 2.040 -3.972 -4.628 1.00 5.45 N ATOM 0 H ARG A 41 -4.126 -6.431 -4.017 1.00 75.54 H new ATOM 0 HA ARG A 41 -3.119 -9.201 -3.581 1.00 73.01 H new ATOM 0 HB2 ARG A 41 -2.594 -6.717 -1.883 1.00 40.04 H new ATOM 0 HB3 ARG A 41 -1.856 -8.296 -1.699 1.00 40.04 H new ATOM 0 HG2 ARG A 41 -0.518 -8.044 -3.640 1.00 72.02 H new ATOM 0 HG3 ARG A 41 -1.523 -6.761 -4.285 1.00 72.02 H new ATOM 0 HD2 ARG A 41 -0.743 -5.454 -2.105 1.00 3.12 H new ATOM 0 HD3 ARG A 41 0.566 -6.618 -2.114 1.00 3.12 H new ATOM 0 HE ARG A 41 0.146 -5.453 -4.742 1.00 65.11 H new ATOM 0 HH11 ARG A 41 1.577 -4.809 -1.615 1.00 21.32 H new ATOM 0 HH12 ARG A 41 2.794 -3.729 -2.302 1.00 21.32 H new ATOM 0 HH21 ARG A 41 1.656 -4.125 -5.560 1.00 5.45 H new ATOM 0 HH22 ARG A 41 2.837 -3.348 -4.501 1.00 5.45 H new ATOM 650 N SER A 42 -5.811 -8.111 -2.745 1.00 41.34 N ATOM 651 CA SER A 42 -7.056 -8.250 -1.964 1.00 1.00 C ATOM 652 C SER A 42 -7.028 -7.397 -0.685 1.00 32.35 C ATOM 653 O SER A 42 -7.634 -7.751 0.328 1.00 13.22 O ATOM 654 CB SER A 42 -7.314 -9.726 -1.607 1.00 45.43 C ATOM 655 OG SER A 42 -7.504 -10.518 -2.771 1.00 3.43 O ATOM 0 H SER A 42 -5.951 -7.737 -3.683 1.00 41.34 H new ATOM 0 HA SER A 42 -7.870 -7.887 -2.591 1.00 1.00 H new ATOM 0 HB2 SER A 42 -6.472 -10.115 -1.034 1.00 45.43 H new ATOM 0 HB3 SER A 42 -8.195 -9.798 -0.969 1.00 45.43 H new ATOM 0 HG SER A 42 -7.664 -11.449 -2.511 1.00 3.43 H new ATOM 661 N LEU A 43 -6.339 -6.264 -0.744 1.00 60.41 N ATOM 662 CA LEU A 43 -6.237 -5.346 0.399 1.00 61.10 C ATOM 663 C LEU A 43 -7.238 -4.179 0.274 1.00 3.45 C ATOM 664 O LEU A 43 -7.406 -3.614 -0.809 1.00 54.53 O ATOM 665 CB LEU A 43 -4.802 -4.809 0.498 1.00 74.42 C ATOM 666 CG LEU A 43 -3.736 -5.848 0.879 1.00 62.32 C ATOM 667 CD1 LEU A 43 -2.327 -5.297 0.649 1.00 1.11 C ATOM 668 CD2 LEU A 43 -3.912 -6.270 2.333 1.00 61.32 C ATOM 0 H LEU A 43 -5.837 -5.951 -1.575 1.00 60.41 H new ATOM 0 HA LEU A 43 -6.484 -5.896 1.307 1.00 61.10 H new ATOM 0 HB2 LEU A 43 -4.530 -4.369 -0.461 1.00 74.42 H new ATOM 0 HB3 LEU A 43 -4.782 -4.006 1.235 1.00 74.42 H new ATOM 0 HG LEU A 43 -3.864 -6.722 0.240 1.00 62.32 H new ATOM 0 HD11 LEU A 43 -1.591 -6.052 0.926 1.00 1.11 H new ATOM 0 HD12 LEU A 43 -2.204 -5.040 -0.403 1.00 1.11 H new ATOM 0 HD13 LEU A 43 -2.181 -4.406 1.260 1.00 1.11 H new ATOM 0 HD21 LEU A 43 -3.152 -7.006 2.593 1.00 61.32 H new ATOM 0 HD22 LEU A 43 -3.809 -5.399 2.980 1.00 61.32 H new ATOM 0 HD23 LEU A 43 -4.901 -6.707 2.468 1.00 61.32 H new ATOM 680 N PRO A 44 -7.918 -3.807 1.383 1.00 72.41 N ATOM 681 CA PRO A 44 -8.921 -2.724 1.384 1.00 50.53 C ATOM 682 C PRO A 44 -8.320 -1.341 1.055 1.00 23.33 C ATOM 683 O PRO A 44 -7.330 -0.914 1.655 1.00 61.23 O ATOM 684 CB PRO A 44 -9.493 -2.756 2.814 1.00 11.51 C ATOM 685 CG PRO A 44 -8.449 -3.436 3.635 1.00 25.52 C ATOM 686 CD PRO A 44 -7.768 -4.420 2.718 1.00 51.11 C ATOM 0 HA PRO A 44 -9.675 -2.877 0.612 1.00 50.53 H new ATOM 0 HB2 PRO A 44 -9.690 -1.749 3.182 1.00 11.51 H new ATOM 0 HB3 PRO A 44 -10.437 -3.299 2.849 1.00 11.51 H new ATOM 0 HG2 PRO A 44 -7.735 -2.715 4.032 1.00 25.52 H new ATOM 0 HG3 PRO A 44 -8.896 -3.945 4.489 1.00 25.52 H new ATOM 0 HD2 PRO A 44 -6.719 -4.555 2.982 1.00 51.11 H new ATOM 0 HD3 PRO A 44 -8.238 -5.403 2.764 1.00 51.11 H new ATOM 694 N VAL A 45 -8.949 -0.641 0.109 1.00 50.00 N ATOM 695 CA VAL A 45 -8.459 0.659 -0.382 1.00 32.31 C ATOM 696 C VAL A 45 -9.252 1.838 0.214 1.00 44.15 C ATOM 697 O VAL A 45 -9.161 2.970 -0.262 1.00 51.51 O ATOM 698 CB VAL A 45 -8.549 0.717 -1.931 1.00 15.02 C ATOM 699 CG1 VAL A 45 -7.757 -0.426 -2.563 1.00 71.20 C ATOM 700 CG2 VAL A 45 -10.007 0.689 -2.398 1.00 63.34 C ATOM 0 H VAL A 45 -9.810 -0.953 -0.340 1.00 50.00 H new ATOM 0 HA VAL A 45 -7.421 0.750 -0.064 1.00 32.31 H new ATOM 0 HB VAL A 45 -8.109 1.659 -2.258 1.00 15.02 H new ATOM 0 HG11 VAL A 45 -7.834 -0.365 -3.649 1.00 71.20 H new ATOM 0 HG12 VAL A 45 -6.710 -0.350 -2.269 1.00 71.20 H new ATOM 0 HG13 VAL A 45 -8.161 -1.380 -2.223 1.00 71.20 H new ATOM 0 HG21 VAL A 45 -10.041 0.731 -3.487 1.00 63.34 H new ATOM 0 HG22 VAL A 45 -10.481 -0.230 -2.055 1.00 63.34 H new ATOM 0 HG23 VAL A 45 -10.538 1.547 -1.985 1.00 63.34 H new ATOM 710 N SER A 46 -10.008 1.561 1.272 1.00 33.33 N ATOM 711 CA SER A 46 -10.922 2.546 1.877 1.00 73.51 C ATOM 712 C SER A 46 -10.194 3.714 2.571 1.00 25.11 C ATOM 713 O SER A 46 -10.588 4.874 2.431 1.00 12.50 O ATOM 714 CB SER A 46 -11.828 1.841 2.894 1.00 32.53 C ATOM 715 OG SER A 46 -12.640 2.763 3.606 1.00 71.22 O ATOM 0 H SER A 46 -10.010 0.654 1.738 1.00 33.33 H new ATOM 0 HA SER A 46 -11.504 2.976 1.062 1.00 73.51 H new ATOM 0 HB2 SER A 46 -12.463 1.121 2.377 1.00 32.53 H new ATOM 0 HB3 SER A 46 -11.215 1.278 3.598 1.00 32.53 H new ATOM 0 HG SER A 46 -13.204 2.278 4.243 1.00 71.22 H new ATOM 721 N GLY A 47 -9.139 3.404 3.317 1.00 14.42 N ATOM 722 CA GLY A 47 -8.496 4.402 4.174 1.00 24.11 C ATOM 723 C GLY A 47 -7.703 5.483 3.440 1.00 11.31 C ATOM 724 O GLY A 47 -7.629 5.505 2.208 1.00 43.14 O ATOM 0 H GLY A 47 -8.711 2.478 3.348 1.00 14.42 H new ATOM 0 HA2 GLY A 47 -9.263 4.886 4.779 1.00 24.11 H new ATOM 0 HA3 GLY A 47 -7.825 3.887 4.862 1.00 24.11 H new ATOM 728 N THR A 48 -7.118 6.392 4.220 1.00 42.01 N ATOM 729 CA THR A 48 -6.287 7.483 3.689 1.00 71.21 C ATOM 730 C THR A 48 -4.891 6.987 3.286 1.00 4.02 C ATOM 731 O THR A 48 -4.516 5.858 3.596 1.00 74.43 O ATOM 732 CB THR A 48 -6.122 8.619 4.727 1.00 22.34 C ATOM 733 OG1 THR A 48 -5.426 8.130 5.886 1.00 35.35 O ATOM 734 CG2 THR A 48 -7.479 9.181 5.143 1.00 0.22 C ATOM 0 H THR A 48 -7.204 6.397 5.236 1.00 42.01 H new ATOM 0 HA THR A 48 -6.804 7.862 2.807 1.00 71.21 H new ATOM 0 HB THR A 48 -5.543 9.419 4.265 1.00 22.34 H new ATOM 0 HG1 THR A 48 -6.054 7.651 6.466 1.00 35.35 H new ATOM 0 HG21 THR A 48 -7.335 9.978 5.873 1.00 0.22 H new ATOM 0 HG22 THR A 48 -7.992 9.579 4.268 1.00 0.22 H new ATOM 0 HG23 THR A 48 -8.081 8.388 5.586 1.00 0.22 H new ATOM 742 N LYS A 49 -4.117 7.843 2.614 1.00 1.05 N ATOM 743 CA LYS A 49 -2.788 7.463 2.113 1.00 24.42 C ATOM 744 C LYS A 49 -1.915 6.816 3.200 1.00 44.11 C ATOM 745 O LYS A 49 -1.365 5.734 2.997 1.00 10.33 O ATOM 746 CB LYS A 49 -2.061 8.678 1.526 1.00 52.51 C ATOM 747 CG LYS A 49 -0.665 8.354 1.002 1.00 75.43 C ATOM 748 CD LYS A 49 -0.007 9.556 0.336 1.00 0.34 C ATOM 749 CE LYS A 49 1.400 9.223 -0.148 1.00 61.02 C ATOM 750 NZ LYS A 49 2.025 10.355 -0.883 1.00 75.13 N ATOM 0 H LYS A 49 -4.385 8.804 2.403 1.00 1.05 H new ATOM 0 HA LYS A 49 -2.951 6.722 1.331 1.00 24.42 H new ATOM 0 HB2 LYS A 49 -2.659 9.092 0.714 1.00 52.51 H new ATOM 0 HB3 LYS A 49 -1.984 9.450 2.291 1.00 52.51 H new ATOM 0 HG2 LYS A 49 -0.040 8.010 1.826 1.00 75.43 H new ATOM 0 HG3 LYS A 49 -0.729 7.534 0.287 1.00 75.43 H new ATOM 0 HD2 LYS A 49 -0.615 9.885 -0.507 1.00 0.34 H new ATOM 0 HD3 LYS A 49 0.036 10.386 1.041 1.00 0.34 H new ATOM 0 HE2 LYS A 49 2.023 8.959 0.706 1.00 61.02 H new ATOM 0 HE3 LYS A 49 1.361 8.348 -0.797 1.00 61.02 H new ATOM 0 HZ1 LYS A 49 3.053 10.345 -0.726 1.00 75.13 H new ATOM 0 HZ2 LYS A 49 1.829 10.259 -1.900 1.00 75.13 H new ATOM 0 HZ3 LYS A 49 1.630 11.253 -0.538 1.00 75.13 H new ATOM 764 N THR A 50 -1.787 7.480 4.350 1.00 54.10 N ATOM 765 CA THR A 50 -1.008 6.934 5.472 1.00 43.03 C ATOM 766 C THR A 50 -1.502 5.531 5.859 1.00 43.32 C ATOM 767 O THR A 50 -0.704 4.613 6.054 1.00 71.13 O ATOM 768 CB THR A 50 -1.068 7.856 6.716 1.00 65.32 C ATOM 769 OG1 THR A 50 -0.548 9.157 6.393 1.00 22.14 O ATOM 770 CG2 THR A 50 -0.274 7.275 7.886 1.00 25.23 C ATOM 0 H THR A 50 -2.208 8.391 4.532 1.00 54.10 H new ATOM 0 HA THR A 50 0.026 6.872 5.133 1.00 43.03 H new ATOM 0 HB THR A 50 -2.113 7.936 7.014 1.00 65.32 H new ATOM 0 HG1 THR A 50 -0.592 9.733 7.185 1.00 22.14 H new ATOM 0 HG21 THR A 50 -0.339 7.949 8.740 1.00 25.23 H new ATOM 0 HG22 THR A 50 -0.686 6.303 8.158 1.00 25.23 H new ATOM 0 HG23 THR A 50 0.770 7.158 7.595 1.00 25.23 H new ATOM 778 N GLU A 51 -2.824 5.369 5.941 1.00 45.30 N ATOM 779 CA GLU A 51 -3.436 4.066 6.239 1.00 54.51 C ATOM 780 C GLU A 51 -3.049 3.012 5.186 1.00 11.45 C ATOM 781 O GLU A 51 -2.743 1.865 5.519 1.00 51.31 O ATOM 782 CB GLU A 51 -4.966 4.200 6.296 1.00 4.32 C ATOM 783 CG GLU A 51 -5.466 5.103 7.419 1.00 4.22 C ATOM 784 CD GLU A 51 -6.972 5.311 7.384 1.00 43.31 C ATOM 785 OE1 GLU A 51 -7.719 4.315 7.485 1.00 63.23 O ATOM 786 OE2 GLU A 51 -7.418 6.474 7.239 1.00 4.13 O ATOM 0 H GLU A 51 -3.496 6.124 5.805 1.00 45.30 H new ATOM 0 HA GLU A 51 -3.062 3.737 7.208 1.00 54.51 H new ATOM 0 HB2 GLU A 51 -5.322 4.591 5.343 1.00 4.32 H new ATOM 0 HB3 GLU A 51 -5.403 3.209 6.418 1.00 4.32 H new ATOM 0 HG2 GLU A 51 -5.186 4.669 8.379 1.00 4.22 H new ATOM 0 HG3 GLU A 51 -4.969 6.070 7.349 1.00 4.22 H new ATOM 793 N LEU A 52 -3.061 3.414 3.916 1.00 64.43 N ATOM 794 CA LEU A 52 -2.721 2.512 2.810 1.00 62.11 C ATOM 795 C LEU A 52 -1.246 2.078 2.881 1.00 12.51 C ATOM 796 O LEU A 52 -0.932 0.893 2.751 1.00 42.44 O ATOM 797 CB LEU A 52 -2.999 3.189 1.458 1.00 51.23 C ATOM 798 CG LEU A 52 -4.388 3.833 1.308 1.00 52.23 C ATOM 799 CD1 LEU A 52 -4.578 4.383 -0.101 1.00 55.11 C ATOM 800 CD2 LEU A 52 -5.495 2.844 1.656 1.00 53.14 C ATOM 0 H LEU A 52 -3.303 4.361 3.624 1.00 64.43 H new ATOM 0 HA LEU A 52 -3.347 1.625 2.901 1.00 62.11 H new ATOM 0 HB2 LEU A 52 -2.243 3.957 1.295 1.00 51.23 H new ATOM 0 HB3 LEU A 52 -2.875 2.447 0.669 1.00 51.23 H new ATOM 0 HG LEU A 52 -4.449 4.663 2.011 1.00 52.23 H new ATOM 0 HD11 LEU A 52 -5.567 4.834 -0.185 1.00 55.11 H new ATOM 0 HD12 LEU A 52 -3.817 5.137 -0.303 1.00 55.11 H new ATOM 0 HD13 LEU A 52 -4.486 3.572 -0.824 1.00 55.11 H new ATOM 0 HD21 LEU A 52 -6.465 3.328 1.541 1.00 53.14 H new ATOM 0 HD22 LEU A 52 -5.437 1.984 0.989 1.00 53.14 H new ATOM 0 HD23 LEU A 52 -5.376 2.512 2.687 1.00 53.14 H new ATOM 812 N ILE A 53 -0.349 3.045 3.090 1.00 52.43 N ATOM 813 CA ILE A 53 1.088 2.763 3.217 1.00 43.10 C ATOM 814 C ILE A 53 1.360 1.783 4.368 1.00 71.51 C ATOM 815 O ILE A 53 2.053 0.777 4.192 1.00 52.45 O ATOM 816 CB ILE A 53 1.908 4.058 3.455 1.00 64.45 C ATOM 817 CG1 ILE A 53 1.696 5.054 2.302 1.00 25.34 C ATOM 818 CG2 ILE A 53 3.396 3.732 3.618 1.00 13.14 C ATOM 819 CD1 ILE A 53 2.429 6.369 2.486 1.00 22.44 C ATOM 0 H ILE A 53 -0.590 4.032 3.175 1.00 52.43 H new ATOM 0 HA ILE A 53 1.402 2.314 2.275 1.00 43.10 H new ATOM 0 HB ILE A 53 1.555 4.521 4.377 1.00 64.45 H new ATOM 0 HG12 ILE A 53 2.025 4.593 1.371 1.00 25.34 H new ATOM 0 HG13 ILE A 53 0.630 5.255 2.199 1.00 25.34 H new ATOM 0 HG21 ILE A 53 3.954 4.653 3.784 1.00 13.14 H new ATOM 0 HG22 ILE A 53 3.531 3.067 4.471 1.00 13.14 H new ATOM 0 HG23 ILE A 53 3.762 3.243 2.715 1.00 13.14 H new ATOM 0 HD11 ILE A 53 2.231 7.018 1.633 1.00 22.44 H new ATOM 0 HD12 ILE A 53 2.083 6.854 3.399 1.00 22.44 H new ATOM 0 HD13 ILE A 53 3.500 6.181 2.558 1.00 22.44 H new ATOM 831 N GLU A 54 0.807 2.083 5.544 1.00 23.12 N ATOM 832 CA GLU A 54 0.948 1.205 6.710 1.00 54.22 C ATOM 833 C GLU A 54 0.399 -0.199 6.417 1.00 23.12 C ATOM 834 O GLU A 54 1.006 -1.199 6.790 1.00 52.13 O ATOM 835 CB GLU A 54 0.227 1.804 7.927 1.00 42.13 C ATOM 836 CG GLU A 54 0.801 3.142 8.393 1.00 5.32 C ATOM 837 CD GLU A 54 0.121 3.665 9.649 1.00 72.42 C ATOM 838 OE1 GLU A 54 -0.953 4.296 9.537 1.00 73.33 O ATOM 839 OE2 GLU A 54 0.652 3.436 10.759 1.00 23.13 O ATOM 0 H GLU A 54 0.258 2.925 5.716 1.00 23.12 H new ATOM 0 HA GLU A 54 2.011 1.119 6.933 1.00 54.22 H new ATOM 0 HB2 GLU A 54 -0.827 1.938 7.683 1.00 42.13 H new ATOM 0 HB3 GLU A 54 0.275 1.093 8.751 1.00 42.13 H new ATOM 0 HG2 GLU A 54 1.868 3.029 8.583 1.00 5.32 H new ATOM 0 HG3 GLU A 54 0.695 3.876 7.594 1.00 5.32 H new ATOM 846 N ARG A 55 -0.746 -0.262 5.737 1.00 44.21 N ATOM 847 CA ARG A 55 -1.368 -1.540 5.362 1.00 21.42 C ATOM 848 C ARG A 55 -0.469 -2.345 4.400 1.00 12.11 C ATOM 849 O ARG A 55 -0.351 -3.564 4.523 1.00 63.42 O ATOM 850 CB ARG A 55 -2.748 -1.278 4.736 1.00 4.22 C ATOM 851 CG ARG A 55 -3.478 -2.532 4.264 1.00 21.41 C ATOM 852 CD ARG A 55 -4.929 -2.228 3.895 1.00 3.55 C ATOM 853 NE ARG A 55 -5.743 -1.927 5.076 1.00 34.01 N ATOM 854 CZ ARG A 55 -6.379 -0.803 5.282 1.00 21.44 C ATOM 855 NH1 ARG A 55 -6.325 0.163 4.419 1.00 3.42 N ATOM 856 NH2 ARG A 55 -7.088 -0.652 6.351 1.00 32.12 N ATOM 0 H ARG A 55 -1.267 0.560 5.431 1.00 44.21 H new ATOM 0 HA ARG A 55 -1.494 -2.142 6.262 1.00 21.42 H new ATOM 0 HB2 ARG A 55 -3.372 -0.763 5.466 1.00 4.22 H new ATOM 0 HB3 ARG A 55 -2.626 -0.603 3.889 1.00 4.22 H new ATOM 0 HG2 ARG A 55 -2.962 -2.952 3.401 1.00 21.41 H new ATOM 0 HG3 ARG A 55 -3.452 -3.287 5.049 1.00 21.41 H new ATOM 0 HD2 ARG A 55 -4.959 -1.382 3.208 1.00 3.55 H new ATOM 0 HD3 ARG A 55 -5.356 -3.081 3.368 1.00 3.55 H new ATOM 0 HE ARG A 55 -5.819 -2.649 5.792 1.00 34.01 H new ATOM 0 HH11 ARG A 55 -5.780 0.053 3.564 1.00 3.42 H new ATOM 0 HH12 ARG A 55 -6.827 1.033 4.595 1.00 3.42 H new ATOM 0 HH21 ARG A 55 -7.151 -1.408 7.032 1.00 32.12 H new ATOM 0 HH22 ARG A 55 -7.585 0.224 6.514 1.00 32.12 H new ATOM 870 N LEU A 56 0.166 -1.652 3.450 1.00 33.21 N ATOM 871 CA LEU A 56 1.132 -2.281 2.538 1.00 2.42 C ATOM 872 C LEU A 56 2.335 -2.852 3.304 1.00 22.03 C ATOM 873 O LEU A 56 2.705 -4.017 3.133 1.00 14.31 O ATOM 874 CB LEU A 56 1.623 -1.265 1.488 1.00 31.31 C ATOM 875 CG LEU A 56 0.601 -0.884 0.405 1.00 53.33 C ATOM 876 CD1 LEU A 56 1.120 0.273 -0.448 1.00 13.50 C ATOM 877 CD2 LEU A 56 0.274 -2.096 -0.472 1.00 12.22 C ATOM 0 H LEU A 56 0.030 -0.654 3.291 1.00 33.21 H new ATOM 0 HA LEU A 56 0.622 -3.102 2.035 1.00 2.42 H new ATOM 0 HB2 LEU A 56 1.934 -0.357 2.005 1.00 31.31 H new ATOM 0 HB3 LEU A 56 2.508 -1.673 1.000 1.00 31.31 H new ATOM 0 HG LEU A 56 -0.314 -0.557 0.898 1.00 53.33 H new ATOM 0 HD11 LEU A 56 0.380 0.525 -1.208 1.00 13.50 H new ATOM 0 HD12 LEU A 56 1.299 1.141 0.186 1.00 13.50 H new ATOM 0 HD13 LEU A 56 2.051 -0.021 -0.932 1.00 13.50 H new ATOM 0 HD21 LEU A 56 -0.451 -1.809 -1.234 1.00 12.22 H new ATOM 0 HD22 LEU A 56 1.184 -2.453 -0.954 1.00 12.22 H new ATOM 0 HD23 LEU A 56 -0.144 -2.890 0.146 1.00 12.22 H new ATOM 889 N ARG A 57 2.942 -2.023 4.150 1.00 50.31 N ATOM 890 CA ARG A 57 4.125 -2.424 4.918 1.00 21.23 C ATOM 891 C ARG A 57 3.766 -3.375 6.077 1.00 32.41 C ATOM 892 O ARG A 57 4.629 -4.085 6.597 1.00 34.03 O ATOM 893 CB ARG A 57 4.871 -1.173 5.407 1.00 52.30 C ATOM 894 CG ARG A 57 5.464 -0.368 4.250 1.00 55.35 C ATOM 895 CD ARG A 57 6.264 0.850 4.703 1.00 70.24 C ATOM 896 NE ARG A 57 7.085 1.374 3.605 1.00 35.04 N ATOM 897 CZ ARG A 57 7.179 2.634 3.268 1.00 15.10 C ATOM 898 NH1 ARG A 57 6.563 3.557 3.935 1.00 24.51 N ATOM 899 NH2 ARG A 57 7.907 2.969 2.258 1.00 32.21 N ATOM 0 H ARG A 57 2.635 -1.066 4.323 1.00 50.31 H new ATOM 0 HA ARG A 57 4.789 -2.988 4.263 1.00 21.23 H new ATOM 0 HB2 ARG A 57 4.187 -0.542 5.974 1.00 52.30 H new ATOM 0 HB3 ARG A 57 5.669 -1.470 6.088 1.00 52.30 H new ATOM 0 HG2 ARG A 57 6.110 -1.018 3.659 1.00 55.35 H new ATOM 0 HG3 ARG A 57 4.657 -0.040 3.595 1.00 55.35 H new ATOM 0 HD2 ARG A 57 5.585 1.625 5.057 1.00 70.24 H new ATOM 0 HD3 ARG A 57 6.903 0.579 5.543 1.00 70.24 H new ATOM 0 HE ARG A 57 7.626 0.701 3.061 1.00 35.04 H new ATOM 0 HH11 ARG A 57 5.990 3.307 4.741 1.00 24.51 H new ATOM 0 HH12 ARG A 57 6.651 4.534 3.654 1.00 24.51 H new ATOM 0 HH21 ARG A 57 8.404 2.253 1.728 1.00 32.21 H new ATOM 0 HH22 ARG A 57 7.985 3.950 1.989 1.00 32.21 H new ATOM 913 N ALA A 58 2.490 -3.400 6.463 1.00 3.35 N ATOM 914 CA ALA A 58 1.987 -4.403 7.410 1.00 13.52 C ATOM 915 C ALA A 58 1.817 -5.756 6.712 1.00 74.34 C ATOM 916 O ALA A 58 2.168 -6.804 7.258 1.00 2.53 O ATOM 917 CB ALA A 58 0.663 -3.955 8.022 1.00 22.04 C ATOM 0 H ALA A 58 1.785 -2.739 6.137 1.00 3.35 H new ATOM 0 HA ALA A 58 2.717 -4.510 8.213 1.00 13.52 H new ATOM 0 HB1 ALA A 58 0.310 -4.714 8.720 1.00 22.04 H new ATOM 0 HB2 ALA A 58 0.807 -3.013 8.552 1.00 22.04 H new ATOM 0 HB3 ALA A 58 -0.075 -3.817 7.232 1.00 22.04 H new ATOM 923 N TYR A 59 1.275 -5.720 5.496 1.00 11.12 N ATOM 924 CA TYR A 59 1.139 -6.918 4.660 1.00 31.52 C ATOM 925 C TYR A 59 2.525 -7.495 4.317 1.00 64.13 C ATOM 926 O TYR A 59 2.678 -8.694 4.091 1.00 23.13 O ATOM 927 CB TYR A 59 0.368 -6.568 3.377 1.00 23.52 C ATOM 928 CG TYR A 59 -0.079 -7.771 2.564 1.00 13.24 C ATOM 929 CD1 TYR A 59 -1.141 -8.564 2.993 1.00 21.33 C ATOM 930 CD2 TYR A 59 0.552 -8.113 1.370 1.00 54.40 C ATOM 931 CE1 TYR A 59 -1.562 -9.652 2.256 1.00 32.14 C ATOM 932 CE2 TYR A 59 0.133 -9.201 0.628 1.00 70.41 C ATOM 933 CZ TYR A 59 -0.922 -9.968 1.079 1.00 41.41 C ATOM 934 OH TYR A 59 -1.343 -11.051 0.341 1.00 70.20 O ATOM 0 H TYR A 59 0.919 -4.868 5.062 1.00 11.12 H new ATOM 0 HA TYR A 59 0.583 -7.676 5.212 1.00 31.52 H new ATOM 0 HB2 TYR A 59 -0.510 -5.979 3.644 1.00 23.52 H new ATOM 0 HB3 TYR A 59 0.997 -5.935 2.751 1.00 23.52 H new ATOM 0 HD1 TYR A 59 -1.643 -8.323 3.918 1.00 21.33 H new ATOM 0 HD2 TYR A 59 1.382 -7.518 1.019 1.00 54.40 H new ATOM 0 HE1 TYR A 59 -2.390 -10.253 2.601 1.00 32.14 H new ATOM 0 HE2 TYR A 59 0.628 -9.450 -0.299 1.00 70.41 H new ATOM 0 HH TYR A 59 -0.787 -11.136 -0.462 1.00 70.20 H new ATOM 944 N GLN A 60 3.529 -6.622 4.294 1.00 4.21 N ATOM 945 CA GLN A 60 4.916 -7.030 4.047 1.00 13.12 C ATOM 946 C GLN A 60 5.545 -7.690 5.290 1.00 2.51 C ATOM 947 O GLN A 60 6.260 -8.682 5.178 1.00 51.43 O ATOM 948 CB GLN A 60 5.751 -5.813 3.630 1.00 65.52 C ATOM 949 CG GLN A 60 7.203 -6.137 3.274 1.00 0.44 C ATOM 950 CD GLN A 60 7.342 -7.054 2.065 1.00 61.12 C ATOM 951 OE1 GLN A 60 8.278 -7.835 1.971 1.00 32.01 O ATOM 952 NE2 GLN A 60 6.420 -6.960 1.123 1.00 61.21 N ATOM 0 H GLN A 60 3.410 -5.620 4.444 1.00 4.21 H new ATOM 0 HA GLN A 60 4.908 -7.766 3.243 1.00 13.12 H new ATOM 0 HB2 GLN A 60 5.276 -5.338 2.771 1.00 65.52 H new ATOM 0 HB3 GLN A 60 5.742 -5.086 4.442 1.00 65.52 H new ATOM 0 HG2 GLN A 60 7.737 -5.207 3.078 1.00 0.44 H new ATOM 0 HG3 GLN A 60 7.683 -6.606 4.133 1.00 0.44 H new ATOM 0 HE21 GLN A 60 5.650 -6.300 1.227 1.00 61.21 H new ATOM 0 HE22 GLN A 60 6.479 -7.548 0.292 1.00 61.21 H new ATOM 961 N ASP A 61 5.263 -7.142 6.472 1.00 24.15 N ATOM 962 CA ASP A 61 5.853 -7.635 7.727 1.00 11.50 C ATOM 963 C ASP A 61 5.572 -9.139 7.954 1.00 63.32 C ATOM 964 O ASP A 61 6.343 -9.833 8.619 1.00 4.20 O ATOM 965 CB ASP A 61 5.316 -6.805 8.905 1.00 55.31 C ATOM 966 CG ASP A 61 5.924 -7.208 10.239 1.00 10.13 C ATOM 967 OD1 ASP A 61 7.047 -6.762 10.549 1.00 51.42 O ATOM 968 OD2 ASP A 61 5.282 -7.980 10.979 1.00 24.31 O ATOM 0 H ASP A 61 4.628 -6.353 6.592 1.00 24.15 H new ATOM 0 HA ASP A 61 6.935 -7.522 7.657 1.00 11.50 H new ATOM 0 HB2 ASP A 61 5.520 -5.750 8.722 1.00 55.31 H new ATOM 0 HB3 ASP A 61 4.233 -6.916 8.957 1.00 55.31 H new ATOM 973 N GLN A 62 4.475 -9.637 7.387 1.00 60.33 N ATOM 974 CA GLN A 62 4.082 -11.047 7.549 1.00 60.21 C ATOM 975 C GLN A 62 4.646 -11.947 6.426 1.00 3.11 C ATOM 976 O GLN A 62 4.404 -13.156 6.411 1.00 74.22 O ATOM 977 CB GLN A 62 2.551 -11.152 7.594 1.00 64.13 C ATOM 978 CG GLN A 62 1.866 -10.617 6.341 1.00 34.00 C ATOM 979 CD GLN A 62 0.354 -10.540 6.470 1.00 2.55 C ATOM 980 OE1 GLN A 62 -0.183 -10.354 7.559 1.00 71.33 O ATOM 981 NE2 GLN A 62 -0.349 -10.669 5.366 1.00 24.24 N ATOM 0 H GLN A 62 3.838 -9.089 6.809 1.00 60.33 H new ATOM 0 HA GLN A 62 4.507 -11.404 8.487 1.00 60.21 H new ATOM 0 HB2 GLN A 62 2.271 -12.196 7.734 1.00 64.13 H new ATOM 0 HB3 GLN A 62 2.183 -10.604 8.461 1.00 64.13 H new ATOM 0 HG2 GLN A 62 2.256 -9.624 6.118 1.00 34.00 H new ATOM 0 HG3 GLN A 62 2.120 -11.256 5.495 1.00 34.00 H new ATOM 0 HE21 GLN A 62 0.124 -10.823 4.475 1.00 24.24 H new ATOM 0 HE22 GLN A 62 -1.367 -10.615 5.400 1.00 24.24 H new ATOM 990 N ILE A 63 5.385 -11.354 5.483 1.00 53.21 N ATOM 991 CA ILE A 63 6.003 -12.110 4.376 1.00 24.51 C ATOM 992 C ILE A 63 7.462 -11.682 4.116 1.00 52.32 C ATOM 993 O ILE A 63 8.128 -12.225 3.233 1.00 13.41 O ATOM 994 CB ILE A 63 5.198 -11.950 3.056 1.00 1.53 C ATOM 995 CG1 ILE A 63 5.104 -10.465 2.654 1.00 34.21 C ATOM 996 CG2 ILE A 63 3.805 -12.567 3.190 1.00 30.34 C ATOM 997 CD1 ILE A 63 4.366 -10.223 1.349 1.00 75.44 C ATOM 0 H ILE A 63 5.573 -10.352 5.460 1.00 53.21 H new ATOM 0 HA ILE A 63 5.992 -13.154 4.689 1.00 24.51 H new ATOM 0 HB ILE A 63 5.728 -12.484 2.267 1.00 1.53 H new ATOM 0 HG12 ILE A 63 4.603 -9.915 3.450 1.00 34.21 H new ATOM 0 HG13 ILE A 63 6.112 -10.057 2.571 1.00 34.21 H new ATOM 0 HG21 ILE A 63 3.260 -12.443 2.254 1.00 30.34 H new ATOM 0 HG22 ILE A 63 3.898 -13.629 3.418 1.00 30.34 H new ATOM 0 HG23 ILE A 63 3.263 -12.070 3.994 1.00 30.34 H new ATOM 0 HD11 ILE A 63 4.343 -9.154 1.137 1.00 75.44 H new ATOM 0 HD12 ILE A 63 4.878 -10.743 0.539 1.00 75.44 H new ATOM 0 HD13 ILE A 63 3.346 -10.598 1.433 1.00 75.44 H new ATOM 1009 N SER A 64 7.953 -10.720 4.894 1.00 34.21 N ATOM 1010 CA SER A 64 9.301 -10.160 4.690 1.00 13.44 C ATOM 1011 C SER A 64 10.385 -10.988 5.394 1.00 22.10 C ATOM 1012 O SER A 64 10.200 -11.438 6.531 1.00 74.43 O ATOM 1013 CB SER A 64 9.355 -8.709 5.202 1.00 60.43 C ATOM 1014 OG SER A 64 10.644 -8.133 5.025 1.00 51.35 O ATOM 0 H SER A 64 7.442 -10.307 5.674 1.00 34.21 H new ATOM 0 HA SER A 64 9.501 -10.187 3.619 1.00 13.44 H new ATOM 0 HB2 SER A 64 8.614 -8.110 4.674 1.00 60.43 H new ATOM 0 HB3 SER A 64 9.089 -8.686 6.259 1.00 60.43 H new ATOM 0 HG SER A 64 10.639 -7.212 5.360 1.00 51.35 H new ATOM 1020 N PRO A 65 11.534 -11.216 4.722 1.00 31.11 N ATOM 1021 CA PRO A 65 12.694 -11.867 5.348 1.00 61.14 C ATOM 1022 C PRO A 65 13.421 -10.932 6.332 1.00 42.13 C ATOM 1023 O PRO A 65 14.316 -10.173 5.948 1.00 44.41 O ATOM 1024 CB PRO A 65 13.590 -12.222 4.151 1.00 1.33 C ATOM 1025 CG PRO A 65 13.248 -11.209 3.108 1.00 51.33 C ATOM 1026 CD PRO A 65 11.786 -10.880 3.302 1.00 33.34 C ATOM 0 HA PRO A 65 12.412 -12.733 5.946 1.00 61.14 H new ATOM 0 HB2 PRO A 65 14.646 -12.174 4.419 1.00 1.33 H new ATOM 0 HB3 PRO A 65 13.396 -13.235 3.798 1.00 1.33 H new ATOM 0 HG2 PRO A 65 13.865 -10.317 3.215 1.00 51.33 H new ATOM 0 HG3 PRO A 65 13.429 -11.604 2.108 1.00 51.33 H new ATOM 0 HD2 PRO A 65 11.582 -9.829 3.097 1.00 33.34 H new ATOM 0 HD3 PRO A 65 11.152 -11.464 2.634 1.00 33.34 H new ATOM 1034 N VAL A 66 13.013 -10.977 7.600 1.00 71.54 N ATOM 1035 CA VAL A 66 13.575 -10.096 8.632 1.00 73.31 C ATOM 1036 C VAL A 66 15.018 -10.490 9.017 1.00 12.14 C ATOM 1037 O VAL A 66 15.375 -11.670 9.007 1.00 23.33 O ATOM 1038 CB VAL A 66 12.691 -10.091 9.906 1.00 23.15 C ATOM 1039 CG1 VAL A 66 11.287 -9.573 9.592 1.00 2.53 C ATOM 1040 CG2 VAL A 66 12.630 -11.484 10.539 1.00 53.43 C ATOM 0 H VAL A 66 12.294 -11.615 7.941 1.00 71.54 H new ATOM 0 HA VAL A 66 13.597 -9.096 8.200 1.00 73.31 H new ATOM 0 HB VAL A 66 13.148 -9.415 10.629 1.00 23.15 H new ATOM 0 HG11 VAL A 66 10.685 -9.579 10.501 1.00 2.53 H new ATOM 0 HG12 VAL A 66 11.352 -8.556 9.206 1.00 2.53 H new ATOM 0 HG13 VAL A 66 10.821 -10.215 8.844 1.00 2.53 H new ATOM 0 HG21 VAL A 66 12.004 -11.451 11.430 1.00 53.43 H new ATOM 0 HG22 VAL A 66 12.208 -12.190 9.824 1.00 53.43 H new ATOM 0 HG23 VAL A 66 13.635 -11.803 10.814 1.00 53.43 H new ATOM 1050 N PRO A 67 15.875 -9.500 9.340 1.00 21.32 N ATOM 1051 CA PRO A 67 17.243 -9.757 9.831 1.00 5.13 C ATOM 1052 C PRO A 67 17.268 -10.569 11.141 1.00 51.24 C ATOM 1053 O PRO A 67 17.862 -11.647 11.202 1.00 62.53 O ATOM 1054 CB PRO A 67 17.817 -8.347 10.056 1.00 73.42 C ATOM 1055 CG PRO A 67 16.979 -7.456 9.200 1.00 74.35 C ATOM 1056 CD PRO A 67 15.602 -8.056 9.220 1.00 70.11 C ATOM 0 HA PRO A 67 17.816 -10.357 9.124 1.00 5.13 H new ATOM 0 HB2 PRO A 67 17.758 -8.058 11.105 1.00 73.42 H new ATOM 0 HB3 PRO A 67 18.868 -8.297 9.770 1.00 73.42 H new ATOM 0 HG2 PRO A 67 16.968 -6.437 9.587 1.00 74.35 H new ATOM 0 HG3 PRO A 67 17.371 -7.407 8.184 1.00 74.35 H new ATOM 0 HD2 PRO A 67 15.012 -7.685 10.058 1.00 70.11 H new ATOM 0 HD3 PRO A 67 15.047 -7.824 8.311 1.00 70.11 H new ATOM 1064 N GLY A 68 16.615 -10.048 12.182 1.00 40.11 N ATOM 1065 CA GLY A 68 16.595 -10.727 13.480 1.00 70.22 C ATOM 1066 C GLY A 68 15.230 -10.701 14.162 1.00 21.22 C ATOM 1067 O GLY A 68 14.804 -11.701 14.746 1.00 25.54 O ATOM 0 H GLY A 68 16.099 -9.169 12.154 1.00 40.11 H new ATOM 0 HA2 GLY A 68 16.904 -11.763 13.343 1.00 70.22 H new ATOM 0 HA3 GLY A 68 17.329 -10.260 14.137 1.00 70.22 H new ATOM 1071 N ALA A 69 14.546 -9.556 14.092 1.00 25.43 N ATOM 1072 CA ALA A 69 13.235 -9.370 14.738 1.00 32.11 C ATOM 1073 C ALA A 69 13.349 -9.367 16.278 1.00 13.35 C ATOM 1074 O ALA A 69 14.254 -9.988 16.844 1.00 52.42 O ATOM 1075 CB ALA A 69 12.244 -10.437 14.265 1.00 51.45 C ATOM 0 H ALA A 69 14.879 -8.733 13.590 1.00 25.43 H new ATOM 0 HA ALA A 69 12.858 -8.392 14.440 1.00 32.11 H new ATOM 0 HB1 ALA A 69 11.282 -10.282 14.754 1.00 51.45 H new ATOM 0 HB2 ALA A 69 12.118 -10.364 13.185 1.00 51.45 H new ATOM 0 HB3 ALA A 69 12.625 -11.426 14.519 1.00 51.45 H new ATOM 1081 N PRO A 70 12.433 -8.661 16.980 1.00 51.10 N ATOM 1082 CA PRO A 70 12.441 -8.587 18.457 1.00 74.31 C ATOM 1083 C PRO A 70 12.580 -9.961 19.144 1.00 25.15 C ATOM 1084 O PRO A 70 11.675 -10.797 19.080 1.00 54.43 O ATOM 1085 CB PRO A 70 11.081 -7.951 18.777 1.00 53.23 C ATOM 1086 CG PRO A 70 10.775 -7.112 17.582 1.00 22.25 C ATOM 1087 CD PRO A 70 11.329 -7.864 16.398 1.00 20.13 C ATOM 0 HA PRO A 70 13.298 -8.024 18.826 1.00 74.31 H new ATOM 0 HB2 PRO A 70 10.315 -8.710 18.937 1.00 53.23 H new ATOM 0 HB3 PRO A 70 11.127 -7.349 19.684 1.00 53.23 H new ATOM 0 HG2 PRO A 70 9.701 -6.956 17.478 1.00 22.25 H new ATOM 0 HG3 PRO A 70 11.233 -6.127 17.668 1.00 22.25 H new ATOM 0 HD2 PRO A 70 10.574 -8.501 15.938 1.00 20.13 H new ATOM 0 HD3 PRO A 70 11.688 -7.186 15.624 1.00 20.13 H new ATOM 1095 N LYS A 71 13.731 -10.194 19.775 1.00 31.43 N ATOM 1096 CA LYS A 71 13.975 -11.434 20.522 1.00 12.22 C ATOM 1097 C LYS A 71 13.168 -11.445 21.830 1.00 65.11 C ATOM 1098 O LYS A 71 13.510 -10.746 22.785 1.00 42.12 O ATOM 1099 CB LYS A 71 15.479 -11.586 20.805 1.00 34.54 C ATOM 1100 CG LYS A 71 15.842 -12.804 21.655 1.00 3.24 C ATOM 1101 CD LYS A 71 17.355 -13.028 21.722 1.00 64.51 C ATOM 1102 CE LYS A 71 17.892 -13.781 20.499 1.00 5.02 C ATOM 1103 NZ LYS A 71 17.596 -13.094 19.211 1.00 44.42 N ATOM 0 H LYS A 71 14.513 -9.539 19.785 1.00 31.43 H new ATOM 0 HA LYS A 71 13.646 -12.280 19.919 1.00 12.22 H new ATOM 0 HB2 LYS A 71 16.010 -11.650 19.855 1.00 34.54 H new ATOM 0 HB3 LYS A 71 15.834 -10.687 21.309 1.00 34.54 H new ATOM 0 HG2 LYS A 71 15.450 -12.672 22.664 1.00 3.24 H new ATOM 0 HG3 LYS A 71 15.362 -13.691 21.241 1.00 3.24 H new ATOM 0 HD2 LYS A 71 17.858 -12.065 21.801 1.00 64.51 H new ATOM 0 HD3 LYS A 71 17.596 -13.589 22.625 1.00 64.51 H new ATOM 0 HE2 LYS A 71 18.971 -13.902 20.599 1.00 5.02 H new ATOM 0 HE3 LYS A 71 17.460 -14.781 20.478 1.00 5.02 H new ATOM 0 HZ1 LYS A 71 18.234 -13.452 18.472 1.00 44.42 H new ATOM 0 HZ2 LYS A 71 16.610 -13.280 18.937 1.00 44.42 H new ATOM 0 HZ3 LYS A 71 17.737 -12.070 19.324 1.00 44.42 H new ATOM 1117 N ALA A 72 12.092 -12.242 21.853 1.00 65.12 N ATOM 1118 CA ALA A 72 11.146 -12.267 22.981 1.00 41.40 C ATOM 1119 C ALA A 72 10.580 -10.860 23.267 1.00 4.12 C ATOM 1120 O ALA A 72 10.987 -10.203 24.225 1.00 73.23 O ATOM 1121 CB ALA A 72 11.800 -12.861 24.230 1.00 25.50 C ATOM 0 H ALA A 72 11.852 -12.884 21.097 1.00 65.12 H new ATOM 0 HA ALA A 72 10.311 -12.909 22.701 1.00 41.40 H new ATOM 0 HB1 ALA A 72 11.081 -12.868 25.049 1.00 25.50 H new ATOM 0 HB2 ALA A 72 12.123 -13.881 24.022 1.00 25.50 H new ATOM 0 HB3 ALA A 72 12.663 -12.257 24.511 1.00 25.50 H new ATOM 1127 N PRO A 73 9.629 -10.387 22.427 1.00 42.11 N ATOM 1128 CA PRO A 73 9.104 -9.003 22.486 1.00 24.15 C ATOM 1129 C PRO A 73 8.567 -8.587 23.871 1.00 31.24 C ATOM 1130 O PRO A 73 7.356 -8.620 24.120 1.00 61.34 O ATOM 1131 CB PRO A 73 7.974 -9.005 21.444 1.00 64.35 C ATOM 1132 CG PRO A 73 8.324 -10.111 20.505 1.00 63.14 C ATOM 1133 CD PRO A 73 8.988 -11.167 21.347 1.00 34.40 C ATOM 0 HA PRO A 73 9.896 -8.280 22.290 1.00 24.15 H new ATOM 0 HB2 PRO A 73 7.004 -9.175 21.912 1.00 64.35 H new ATOM 0 HB3 PRO A 73 7.913 -8.049 20.924 1.00 64.35 H new ATOM 0 HG2 PRO A 73 7.434 -10.504 20.014 1.00 63.14 H new ATOM 0 HG3 PRO A 73 8.992 -9.760 19.719 1.00 63.14 H new ATOM 0 HD2 PRO A 73 8.265 -11.881 21.741 1.00 34.40 H new ATOM 0 HD3 PRO A 73 9.719 -11.737 20.774 1.00 34.40 H new ATOM 1141 N ALA A 74 9.484 -8.214 24.768 1.00 11.24 N ATOM 1142 CA ALA A 74 9.144 -7.734 26.116 1.00 62.10 C ATOM 1143 C ALA A 74 8.181 -8.682 26.856 1.00 30.12 C ATOM 1144 O ALA A 74 7.431 -8.261 27.737 1.00 13.13 O ATOM 1145 CB ALA A 74 8.560 -6.329 26.033 1.00 72.43 C ATOM 0 H ALA A 74 10.487 -8.235 24.582 1.00 11.24 H new ATOM 0 HA ALA A 74 10.065 -7.711 26.698 1.00 62.10 H new ATOM 0 HB1 ALA A 74 8.310 -5.979 27.035 1.00 72.43 H new ATOM 0 HB2 ALA A 74 9.292 -5.657 25.586 1.00 72.43 H new ATOM 0 HB3 ALA A 74 7.659 -6.345 25.419 1.00 72.43 H new ATOM 1151 N ALA A 75 8.231 -9.965 26.510 1.00 35.44 N ATOM 1152 CA ALA A 75 7.348 -10.977 27.108 1.00 22.55 C ATOM 1153 C ALA A 75 7.735 -11.303 28.566 1.00 11.40 C ATOM 1154 O ALA A 75 8.796 -11.931 28.785 1.00 38.25 O ATOM 1155 CB ALA A 75 7.351 -12.243 26.256 1.00 52.14 C ATOM 1156 OXT ALA A 75 6.967 -10.942 29.487 1.00 38.25 O ATOM 0 H ALA A 75 8.877 -10.336 25.814 1.00 35.44 H new ATOM 0 HA ALA A 75 6.341 -10.561 27.132 1.00 22.55 H new ATOM 0 HB1 ALA A 75 6.694 -12.987 26.707 1.00 52.14 H new ATOM 0 HB2 ALA A 75 6.997 -12.007 25.252 1.00 52.14 H new ATOM 0 HB3 ALA A 75 8.364 -12.641 26.199 1.00 52.14 H new TER 1162 ALA A 75