USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 684 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 64 HIS HD1 : A 64 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 56 CYS SG : rot -107:sc= -6.09! USER MOD Set 1.2: A 59 CYS SG : rot -106:sc= -3.68! USER MOD Set 1.3: A 82 CYS SG : rot -44:sc= -9.13! USER MOD Set 1.4: A 85 CYS SG : rot 171:sc= -9.36! USER MOD Set 2.1: A 44 CYS SG : rot -63:sc= -4.94! USER MOD Set 2.2: A 67 CYS SG : rot -143:sc= -11.8! USER MOD Single : A 1 SER N :NH3+ 157:sc= 0.00583 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00729 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -162:sc= -0.0737 (180deg=-0.435) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 41:sc= 0.347 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 38:sc= 0.221 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.96 K(o=-0.96,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00309) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0256) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -135:sc= -0.984 (180deg=-4.19!) USER MOD Single : A 62 SER OG : rot -112:sc= 0.106 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -81:sc= 0.504 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -70.613 58.346 43.476 1.00 41.21 N ATOM 2 CA SER A 1 -70.320 58.046 42.056 1.00 70.14 C ATOM 3 C SER A 1 -70.559 59.294 41.179 1.00 11.13 C ATOM 4 O SER A 1 -71.705 59.706 40.983 1.00 35.14 O ATOM 5 CB SER A 1 -71.190 56.845 41.592 1.00 2.43 C ATOM 6 OG SER A 1 -70.963 55.713 42.411 1.00 13.03 O ATOM 0 H1 SER A 1 -70.830 57.462 43.980 1.00 41.21 H new ATOM 0 H2 SER A 1 -69.785 58.800 43.913 1.00 41.21 H new ATOM 0 H3 SER A 1 -71.430 58.987 43.534 1.00 41.21 H new ATOM 0 HA SER A 1 -69.270 57.772 41.950 1.00 70.14 H new ATOM 0 HB2 SER A 1 -72.244 57.119 41.627 1.00 2.43 H new ATOM 0 HB3 SER A 1 -70.958 56.602 40.555 1.00 2.43 H new ATOM 0 HG SER A 1 -71.522 54.969 42.103 1.00 13.03 H new ATOM 14 N HIS A 2 -69.459 59.918 40.699 1.00 52.14 N ATOM 15 CA HIS A 2 -69.498 61.037 39.722 1.00 10.42 C ATOM 16 C HIS A 2 -68.723 60.625 38.448 1.00 4.42 C ATOM 17 O HIS A 2 -67.899 59.699 38.492 1.00 4.33 O ATOM 18 CB HIS A 2 -68.869 62.329 40.319 1.00 31.14 C ATOM 19 CG HIS A 2 -69.593 62.905 41.511 1.00 63.34 C ATOM 20 ND1 HIS A 2 -70.606 63.825 41.360 1.00 62.55 N ATOM 21 CD2 HIS A 2 -69.377 62.709 42.837 1.00 33.02 C ATOM 22 CE1 HIS A 2 -70.977 64.159 42.583 1.00 70.31 C ATOM 23 NE2 HIS A 2 -70.261 63.509 43.507 1.00 52.43 N ATOM 0 H HIS A 2 -68.513 59.660 40.979 1.00 52.14 H new ATOM 0 HA HIS A 2 -70.539 61.248 39.479 1.00 10.42 H new ATOM 0 HB2 HIS A 2 -67.841 62.113 40.608 1.00 31.14 H new ATOM 0 HB3 HIS A 2 -68.827 63.088 39.538 1.00 31.14 H new ATOM 0 HD2 HIS A 2 -68.646 62.047 43.279 1.00 33.02 H new ATOM 0 HE1 HIS A 2 -71.760 64.868 42.808 1.00 70.31 H new ATOM 0 HE2 HIS A 2 -70.356 63.594 44.519 1.00 52.43 H new ATOM 31 N MET A 3 -68.985 61.316 37.316 1.00 3.34 N ATOM 32 CA MET A 3 -68.302 61.041 36.026 1.00 11.43 C ATOM 33 C MET A 3 -66.873 61.627 36.018 1.00 15.32 C ATOM 34 O MET A 3 -66.558 62.547 36.792 1.00 73.13 O ATOM 35 CB MET A 3 -69.116 61.597 34.829 1.00 42.21 C ATOM 36 CG MET A 3 -69.259 63.128 34.776 1.00 73.41 C ATOM 37 SD MET A 3 -70.088 63.700 33.275 1.00 51.04 S ATOM 38 CE MET A 3 -68.910 63.261 31.992 1.00 31.12 C ATOM 0 H MET A 3 -69.668 62.072 37.267 1.00 3.34 H new ATOM 0 HA MET A 3 -68.232 59.959 35.919 1.00 11.43 H new ATOM 0 HB2 MET A 3 -68.644 61.262 33.905 1.00 42.21 H new ATOM 0 HB3 MET A 3 -70.113 61.158 34.855 1.00 42.21 H new ATOM 0 HG2 MET A 3 -69.820 63.467 35.647 1.00 73.41 H new ATOM 0 HG3 MET A 3 -68.271 63.583 34.836 1.00 73.41 H new ATOM 0 HE1 MET A 3 -69.132 63.825 31.086 1.00 31.12 H new ATOM 0 HE2 MET A 3 -67.901 63.497 32.329 1.00 31.12 H new ATOM 0 HE3 MET A 3 -68.982 62.194 31.782 1.00 31.12 H new ATOM 48 N SER A 4 -66.029 61.108 35.112 1.00 55.22 N ATOM 49 CA SER A 4 -64.609 61.468 35.029 1.00 23.13 C ATOM 50 C SER A 4 -64.233 61.700 33.551 1.00 45.41 C ATOM 51 O SER A 4 -63.940 60.745 32.814 1.00 20.51 O ATOM 52 CB SER A 4 -63.757 60.337 35.678 1.00 60.22 C ATOM 53 OG SER A 4 -62.360 60.606 35.630 1.00 21.01 O ATOM 0 H SER A 4 -66.317 60.423 34.413 1.00 55.22 H new ATOM 0 HA SER A 4 -64.410 62.391 35.574 1.00 23.13 H new ATOM 0 HB2 SER A 4 -64.063 60.208 36.716 1.00 60.22 H new ATOM 0 HB3 SER A 4 -63.960 59.396 35.167 1.00 60.22 H new ATOM 0 HG SER A 4 -61.870 59.869 36.051 1.00 21.01 H new ATOM 59 N GLY A 5 -64.279 62.976 33.120 1.00 75.22 N ATOM 60 CA GLY A 5 -63.940 63.368 31.747 1.00 14.24 C ATOM 61 C GLY A 5 -62.435 63.556 31.549 1.00 23.22 C ATOM 62 O GLY A 5 -61.980 64.653 31.220 1.00 62.25 O ATOM 0 H GLY A 5 -64.552 63.758 33.715 1.00 75.22 H new ATOM 0 HA2 GLY A 5 -64.303 62.608 31.055 1.00 14.24 H new ATOM 0 HA3 GLY A 5 -64.455 64.296 31.499 1.00 14.24 H new ATOM 66 N GLY A 6 -61.667 62.466 31.752 1.00 51.05 N ATOM 67 CA GLY A 6 -60.201 62.482 31.632 1.00 11.14 C ATOM 68 C GLY A 6 -59.726 61.968 30.274 1.00 30.52 C ATOM 69 O GLY A 6 -58.864 61.084 30.204 1.00 23.31 O ATOM 0 H GLY A 6 -62.048 61.554 32.003 1.00 51.05 H new ATOM 0 HA2 GLY A 6 -59.837 63.499 31.781 1.00 11.14 H new ATOM 0 HA3 GLY A 6 -59.767 61.869 32.422 1.00 11.14 H new ATOM 73 N SER A 7 -60.300 62.526 29.195 1.00 40.31 N ATOM 74 CA SER A 7 -59.961 62.163 27.809 1.00 70.33 C ATOM 75 C SER A 7 -59.909 63.454 26.953 1.00 44.45 C ATOM 76 O SER A 7 -60.966 64.001 26.604 1.00 54.41 O ATOM 77 CB SER A 7 -60.997 61.143 27.257 1.00 41.33 C ATOM 78 OG SER A 7 -62.322 61.619 27.417 1.00 75.33 O ATOM 0 H SER A 7 -61.018 63.247 29.261 1.00 40.31 H new ATOM 0 HA SER A 7 -58.983 61.683 27.770 1.00 70.33 H new ATOM 0 HB2 SER A 7 -60.800 60.956 26.201 1.00 41.33 H new ATOM 0 HB3 SER A 7 -60.885 60.191 27.775 1.00 41.33 H new ATOM 0 HG SER A 7 -62.353 62.576 27.209 1.00 75.33 H new ATOM 84 N PRO A 8 -58.687 64.003 26.658 1.00 52.03 N ATOM 85 CA PRO A 8 -58.530 65.276 25.906 1.00 33.01 C ATOM 86 C PRO A 8 -58.638 65.081 24.377 1.00 41.13 C ATOM 87 O PRO A 8 -58.843 63.966 23.894 1.00 4.44 O ATOM 88 CB PRO A 8 -57.106 65.721 26.327 1.00 64.34 C ATOM 89 CG PRO A 8 -56.351 64.432 26.469 1.00 12.22 C ATOM 90 CD PRO A 8 -57.351 63.433 27.032 1.00 43.33 C ATOM 0 HA PRO A 8 -59.309 66.005 26.128 1.00 33.01 H new ATOM 0 HB2 PRO A 8 -56.652 66.369 25.577 1.00 64.34 H new ATOM 0 HB3 PRO A 8 -57.122 66.279 27.263 1.00 64.34 H new ATOM 0 HG2 PRO A 8 -55.962 64.098 25.507 1.00 12.22 H new ATOM 0 HG3 PRO A 8 -55.496 64.549 27.135 1.00 12.22 H new ATOM 0 HD2 PRO A 8 -57.207 62.441 26.604 1.00 43.33 H new ATOM 0 HD3 PRO A 8 -57.249 63.332 28.113 1.00 43.33 H new ATOM 98 N LEU A 9 -58.529 66.184 23.625 1.00 13.30 N ATOM 99 CA LEU A 9 -58.375 66.130 22.156 1.00 71.25 C ATOM 100 C LEU A 9 -56.904 65.802 21.808 1.00 73.41 C ATOM 101 O LEU A 9 -55.984 66.204 22.540 1.00 31.14 O ATOM 102 CB LEU A 9 -58.909 67.444 21.489 1.00 23.40 C ATOM 103 CG LEU A 9 -58.584 68.823 22.184 1.00 52.32 C ATOM 104 CD1 LEU A 9 -57.101 69.231 22.069 1.00 43.32 C ATOM 105 CD2 LEU A 9 -59.493 69.950 21.646 1.00 22.35 C ATOM 0 H LEU A 9 -58.544 67.130 24.007 1.00 13.30 H new ATOM 0 HA LEU A 9 -58.987 65.329 21.741 1.00 71.25 H new ATOM 0 HB2 LEU A 9 -58.517 67.484 20.473 1.00 23.40 H new ATOM 0 HB3 LEU A 9 -59.993 67.359 21.409 1.00 23.40 H new ATOM 0 HG LEU A 9 -58.789 68.675 23.244 1.00 52.32 H new ATOM 0 HD11 LEU A 9 -56.947 70.188 22.568 1.00 43.32 H new ATOM 0 HD12 LEU A 9 -56.477 68.472 22.540 1.00 43.32 H new ATOM 0 HD13 LEU A 9 -56.829 69.322 21.017 1.00 43.32 H new ATOM 0 HD21 LEU A 9 -59.244 70.887 22.144 1.00 22.35 H new ATOM 0 HD22 LEU A 9 -59.341 70.059 20.572 1.00 22.35 H new ATOM 0 HD23 LEU A 9 -60.536 69.701 21.841 1.00 22.35 H new ATOM 117 N ALA A 10 -56.692 65.055 20.709 1.00 62.52 N ATOM 118 CA ALA A 10 -55.375 64.498 20.364 1.00 61.34 C ATOM 119 C ALA A 10 -55.153 64.517 18.844 1.00 13.23 C ATOM 120 O ALA A 10 -55.678 63.668 18.114 1.00 11.50 O ATOM 121 CB ALA A 10 -55.248 63.066 20.924 1.00 3.14 C ATOM 0 H ALA A 10 -57.426 64.823 20.040 1.00 62.52 H new ATOM 0 HA ALA A 10 -54.602 65.119 20.817 1.00 61.34 H new ATOM 0 HB1 ALA A 10 -54.270 62.659 20.665 1.00 3.14 H new ATOM 0 HB2 ALA A 10 -55.356 63.088 22.008 1.00 3.14 H new ATOM 0 HB3 ALA A 10 -56.028 62.437 20.495 1.00 3.14 H new ATOM 127 N THR A 11 -54.418 65.535 18.372 1.00 30.30 N ATOM 128 CA THR A 11 -53.916 65.595 16.992 1.00 44.01 C ATOM 129 C THR A 11 -52.394 65.385 17.043 1.00 75.41 C ATOM 130 O THR A 11 -51.607 66.343 16.984 1.00 34.21 O ATOM 131 CB THR A 11 -54.295 66.950 16.293 1.00 13.01 C ATOM 132 OG1 THR A 11 -55.676 67.243 16.548 1.00 61.23 O ATOM 133 CG2 THR A 11 -54.056 66.900 14.766 1.00 31.31 C ATOM 0 H THR A 11 -54.155 66.341 18.938 1.00 30.30 H new ATOM 0 HA THR A 11 -54.381 64.814 16.391 1.00 44.01 H new ATOM 0 HB THR A 11 -53.655 67.730 16.705 1.00 13.01 H new ATOM 0 HG1 THR A 11 -55.916 68.089 16.115 1.00 61.23 H new ATOM 0 HG21 THR A 11 -54.331 67.857 14.323 1.00 31.31 H new ATOM 0 HG22 THR A 11 -53.003 66.698 14.569 1.00 31.31 H new ATOM 0 HG23 THR A 11 -54.665 66.109 14.328 1.00 31.31 H new ATOM 141 N GLY A 12 -52.004 64.114 17.260 1.00 5.23 N ATOM 142 CA GLY A 12 -50.605 63.735 17.407 1.00 1.33 C ATOM 143 C GLY A 12 -49.852 63.837 16.091 1.00 65.45 C ATOM 144 O GLY A 12 -50.336 63.334 15.064 1.00 3.20 O ATOM 0 H GLY A 12 -52.655 63.332 17.336 1.00 5.23 H new ATOM 0 HA2 GLY A 12 -50.130 64.378 18.148 1.00 1.33 H new ATOM 0 HA3 GLY A 12 -50.543 62.714 17.783 1.00 1.33 H new ATOM 148 N THR A 13 -48.694 64.513 16.115 1.00 13.24 N ATOM 149 CA THR A 13 -47.828 64.664 14.942 1.00 11.12 C ATOM 150 C THR A 13 -47.247 63.289 14.558 1.00 75.00 C ATOM 151 O THR A 13 -46.572 62.648 15.377 1.00 75.10 O ATOM 152 CB THR A 13 -46.681 65.690 15.227 1.00 41.34 C ATOM 153 OG1 THR A 13 -45.974 65.324 16.425 1.00 13.43 O ATOM 154 CG2 THR A 13 -47.221 67.125 15.375 1.00 34.33 C ATOM 0 H THR A 13 -48.333 64.971 16.952 1.00 13.24 H new ATOM 0 HA THR A 13 -48.417 65.049 14.110 1.00 11.12 H new ATOM 0 HB THR A 13 -46.004 65.665 14.373 1.00 41.34 H new ATOM 0 HG1 THR A 13 -45.887 64.349 16.469 1.00 13.43 H new ATOM 0 HG21 THR A 13 -46.394 67.807 15.572 1.00 34.33 H new ATOM 0 HG22 THR A 13 -47.724 67.421 14.454 1.00 34.33 H new ATOM 0 HG23 THR A 13 -47.928 67.164 16.203 1.00 34.33 H new ATOM 162 N THR A 14 -47.564 62.828 13.328 1.00 50.43 N ATOM 163 CA THR A 14 -47.120 61.519 12.831 1.00 11.25 C ATOM 164 C THR A 14 -45.590 61.523 12.652 1.00 63.40 C ATOM 165 O THR A 14 -45.033 62.425 12.017 1.00 13.53 O ATOM 166 CB THR A 14 -47.854 61.104 11.489 1.00 51.32 C ATOM 167 OG1 THR A 14 -47.455 59.781 11.076 1.00 61.51 O ATOM 168 CG2 THR A 14 -47.594 62.071 10.317 1.00 54.35 C ATOM 0 H THR A 14 -48.130 63.352 12.661 1.00 50.43 H new ATOM 0 HA THR A 14 -47.391 60.768 13.573 1.00 11.25 H new ATOM 0 HB THR A 14 -48.918 61.137 11.723 1.00 51.32 H new ATOM 0 HG1 THR A 14 -47.920 59.543 10.247 1.00 61.51 H new ATOM 0 HG21 THR A 14 -48.128 61.723 9.433 1.00 54.35 H new ATOM 0 HG22 THR A 14 -47.944 63.068 10.583 1.00 54.35 H new ATOM 0 HG23 THR A 14 -46.525 62.107 10.105 1.00 54.35 H new ATOM 176 N ALA A 15 -44.921 60.553 13.295 1.00 5.03 N ATOM 177 CA ALA A 15 -43.471 60.381 13.183 1.00 53.20 C ATOM 178 C ALA A 15 -43.128 59.882 11.771 1.00 22.44 C ATOM 179 O ALA A 15 -43.348 58.703 11.452 1.00 3.05 O ATOM 180 CB ALA A 15 -42.952 59.412 14.264 1.00 41.02 C ATOM 0 H ALA A 15 -45.372 59.870 13.904 1.00 5.03 H new ATOM 0 HA ALA A 15 -42.978 61.339 13.345 1.00 53.20 H new ATOM 0 HB1 ALA A 15 -41.873 59.298 14.163 1.00 41.02 H new ATOM 0 HB2 ALA A 15 -43.184 59.811 15.252 1.00 41.02 H new ATOM 0 HB3 ALA A 15 -43.432 58.441 14.143 1.00 41.02 H new ATOM 186 N ASN A 16 -42.658 60.809 10.917 1.00 61.30 N ATOM 187 CA ASN A 16 -42.262 60.518 9.524 1.00 40.15 C ATOM 188 C ASN A 16 -40.860 61.093 9.249 1.00 74.23 C ATOM 189 O ASN A 16 -40.547 62.222 9.657 1.00 2.41 O ATOM 190 CB ASN A 16 -43.314 61.077 8.515 1.00 44.31 C ATOM 191 CG ASN A 16 -43.434 62.609 8.506 1.00 73.53 C ATOM 192 OD1 ASN A 16 -42.762 63.305 7.739 1.00 1.21 O ATOM 193 ND2 ASN A 16 -44.291 63.142 9.355 1.00 3.42 N ATOM 0 H ASN A 16 -42.541 61.789 11.175 1.00 61.30 H new ATOM 0 HA ASN A 16 -42.225 59.437 9.386 1.00 40.15 H new ATOM 0 HB2 ASN A 16 -43.053 60.739 7.512 1.00 44.31 H new ATOM 0 HB3 ASN A 16 -44.289 60.650 8.751 1.00 44.31 H new ATOM 0 HD21 ASN A 16 -44.412 64.154 9.390 1.00 3.42 H new ATOM 0 HD22 ASN A 16 -44.833 62.542 9.977 1.00 3.42 H new ATOM 200 N THR A 17 -40.028 60.290 8.572 1.00 4.31 N ATOM 201 CA THR A 17 -38.622 60.596 8.269 1.00 22.14 C ATOM 202 C THR A 17 -38.101 59.573 7.243 1.00 4.34 C ATOM 203 O THR A 17 -38.781 58.575 6.957 1.00 61.41 O ATOM 204 CB THR A 17 -37.730 60.579 9.568 1.00 72.25 C ATOM 205 OG1 THR A 17 -36.366 60.897 9.250 1.00 62.24 O ATOM 206 CG2 THR A 17 -37.787 59.229 10.315 1.00 12.23 C ATOM 0 H THR A 17 -40.322 59.383 8.209 1.00 4.31 H new ATOM 0 HA THR A 17 -38.563 61.602 7.854 1.00 22.14 H new ATOM 0 HB THR A 17 -38.140 61.339 10.233 1.00 72.25 H new ATOM 0 HG1 THR A 17 -35.828 60.883 10.069 1.00 62.24 H new ATOM 0 HG21 THR A 17 -37.154 59.276 11.201 1.00 12.23 H new ATOM 0 HG22 THR A 17 -38.814 59.022 10.614 1.00 12.23 H new ATOM 0 HG23 THR A 17 -37.433 58.434 9.658 1.00 12.23 H new ATOM 214 N ARG A 18 -36.913 59.817 6.676 1.00 52.44 N ATOM 215 CA ARG A 18 -36.267 58.868 5.755 1.00 51.44 C ATOM 216 C ARG A 18 -34.745 58.994 5.824 1.00 61.11 C ATOM 217 O ARG A 18 -34.211 59.939 6.421 1.00 0.21 O ATOM 218 CB ARG A 18 -36.754 59.064 4.297 1.00 2.03 C ATOM 219 CG ARG A 18 -36.454 60.452 3.676 1.00 42.13 C ATOM 220 CD ARG A 18 -36.588 60.442 2.140 1.00 71.21 C ATOM 221 NE ARG A 18 -35.602 59.512 1.531 1.00 1.32 N ATOM 222 CZ ARG A 18 -35.862 58.600 0.581 1.00 53.34 C ATOM 223 NH1 ARG A 18 -37.083 58.460 0.076 1.00 62.43 N ATOM 224 NH2 ARG A 18 -34.881 57.811 0.147 1.00 22.21 N ATOM 0 H ARG A 18 -36.375 60.668 6.839 1.00 52.44 H new ATOM 0 HA ARG A 18 -36.552 57.865 6.072 1.00 51.44 H new ATOM 0 HB2 ARG A 18 -36.294 58.298 3.672 1.00 2.03 H new ATOM 0 HB3 ARG A 18 -37.831 58.896 4.266 1.00 2.03 H new ATOM 0 HG2 ARG A 18 -37.137 61.191 4.094 1.00 42.13 H new ATOM 0 HG3 ARG A 18 -35.445 60.760 3.949 1.00 42.13 H new ATOM 0 HD2 ARG A 18 -37.598 60.143 1.860 1.00 71.21 H new ATOM 0 HD3 ARG A 18 -36.434 61.448 1.750 1.00 71.21 H new ATOM 0 HE ARG A 18 -34.640 59.572 1.865 1.00 1.32 H new ATOM 0 HH11 ARG A 18 -37.844 59.052 0.410 1.00 62.43 H new ATOM 0 HH12 ARG A 18 -37.259 57.761 -0.645 1.00 62.43 H new ATOM 0 HH21 ARG A 18 -33.943 57.903 0.536 1.00 22.21 H new ATOM 0 HH22 ARG A 18 -35.068 57.115 -0.575 1.00 22.21 H new ATOM 238 N GLY A 19 -34.054 58.040 5.181 1.00 44.22 N ATOM 239 CA GLY A 19 -32.599 57.981 5.207 1.00 71.44 C ATOM 240 C GLY A 19 -32.097 57.131 6.367 1.00 72.32 C ATOM 241 O GLY A 19 -32.268 57.506 7.537 1.00 1.40 O ATOM 0 H GLY A 19 -34.491 57.297 4.635 1.00 44.22 H new ATOM 0 HA2 GLY A 19 -32.233 57.568 4.267 1.00 71.44 H new ATOM 0 HA3 GLY A 19 -32.194 58.989 5.291 1.00 71.44 H new ATOM 245 N ALA A 20 -31.493 55.974 6.048 1.00 21.13 N ATOM 246 CA ALA A 20 -30.984 55.017 7.046 1.00 10.23 C ATOM 247 C ALA A 20 -29.628 54.460 6.596 1.00 74.14 C ATOM 248 O ALA A 20 -29.410 54.219 5.400 1.00 23.42 O ATOM 249 CB ALA A 20 -32.008 53.885 7.264 1.00 74.21 C ATOM 0 H ALA A 20 -31.343 55.674 5.085 1.00 21.13 H new ATOM 0 HA ALA A 20 -30.840 55.530 7.997 1.00 10.23 H new ATOM 0 HB1 ALA A 20 -31.622 53.183 8.003 1.00 74.21 H new ATOM 0 HB2 ALA A 20 -32.947 54.308 7.620 1.00 74.21 H new ATOM 0 HB3 ALA A 20 -32.179 53.363 6.323 1.00 74.21 H new ATOM 255 N SER A 21 -28.719 54.273 7.561 1.00 42.14 N ATOM 256 CA SER A 21 -27.375 53.722 7.326 1.00 53.44 C ATOM 257 C SER A 21 -27.028 52.761 8.470 1.00 51.10 C ATOM 258 O SER A 21 -26.268 53.111 9.382 1.00 43.53 O ATOM 259 CB SER A 21 -26.331 54.869 7.194 1.00 12.50 C ATOM 260 OG SER A 21 -26.653 55.738 6.120 1.00 52.42 O ATOM 0 H SER A 21 -28.896 54.502 8.539 1.00 42.14 H new ATOM 0 HA SER A 21 -27.356 53.168 6.388 1.00 53.44 H new ATOM 0 HB2 SER A 21 -26.291 55.436 8.124 1.00 12.50 H new ATOM 0 HB3 SER A 21 -25.339 54.445 7.037 1.00 12.50 H new ATOM 0 HG SER A 21 -25.981 56.449 6.062 1.00 52.42 H new ATOM 266 N GLN A 22 -27.625 51.554 8.441 1.00 25.04 N ATOM 267 CA GLN A 22 -27.495 50.569 9.532 1.00 60.40 C ATOM 268 C GLN A 22 -27.699 49.135 9.004 1.00 2.50 C ATOM 269 O GLN A 22 -28.804 48.764 8.592 1.00 23.21 O ATOM 270 CB GLN A 22 -28.509 50.881 10.677 1.00 3.11 C ATOM 271 CG GLN A 22 -28.404 49.956 11.914 1.00 41.33 C ATOM 272 CD GLN A 22 -29.405 50.313 13.020 1.00 25.52 C ATOM 273 OE1 GLN A 22 -30.534 49.811 13.047 1.00 22.41 O ATOM 274 NE2 GLN A 22 -29.008 51.181 13.939 1.00 21.24 N ATOM 0 H GLN A 22 -28.207 51.236 7.666 1.00 25.04 H new ATOM 0 HA GLN A 22 -26.485 50.642 9.936 1.00 60.40 H new ATOM 0 HB2 GLN A 22 -28.364 51.912 11.000 1.00 3.11 H new ATOM 0 HB3 GLN A 22 -29.520 50.812 10.275 1.00 3.11 H new ATOM 0 HG2 GLN A 22 -28.568 48.924 11.603 1.00 41.33 H new ATOM 0 HG3 GLN A 22 -27.392 50.011 12.316 1.00 41.33 H new ATOM 0 HE21 GLN A 22 -28.070 51.580 13.892 1.00 21.24 H new ATOM 0 HE22 GLN A 22 -29.640 51.450 14.693 1.00 21.24 H new ATOM 283 N LYS A 23 -26.608 48.355 8.987 1.00 64.23 N ATOM 284 CA LYS A 23 -26.624 46.895 8.782 1.00 65.23 C ATOM 285 C LYS A 23 -25.612 46.260 9.741 1.00 13.13 C ATOM 286 O LYS A 23 -24.723 46.956 10.262 1.00 14.14 O ATOM 287 CB LYS A 23 -26.322 46.510 7.302 1.00 21.45 C ATOM 288 CG LYS A 23 -24.920 46.896 6.773 1.00 12.03 C ATOM 289 CD LYS A 23 -24.673 46.367 5.336 1.00 24.22 C ATOM 290 CE LYS A 23 -23.267 46.697 4.808 1.00 0.32 C ATOM 291 NZ LYS A 23 -23.033 48.161 4.675 1.00 23.53 N ATOM 0 H LYS A 23 -25.668 48.728 9.118 1.00 64.23 H new ATOM 0 HA LYS A 23 -27.623 46.515 8.995 1.00 65.23 H new ATOM 0 HB2 LYS A 23 -26.445 45.432 7.196 1.00 21.45 H new ATOM 0 HB3 LYS A 23 -27.071 46.980 6.665 1.00 21.45 H new ATOM 0 HG2 LYS A 23 -24.815 47.981 6.782 1.00 12.03 H new ATOM 0 HG3 LYS A 23 -24.158 46.496 7.442 1.00 12.03 H new ATOM 0 HD2 LYS A 23 -24.816 45.286 5.323 1.00 24.22 H new ATOM 0 HD3 LYS A 23 -25.417 46.795 4.664 1.00 24.22 H new ATOM 0 HE2 LYS A 23 -22.522 46.274 5.481 1.00 0.32 H new ATOM 0 HE3 LYS A 23 -23.127 46.221 3.838 1.00 0.32 H new ATOM 0 HZ1 LYS A 23 -22.077 48.327 4.300 1.00 23.53 H new ATOM 0 HZ2 LYS A 23 -23.736 48.567 4.025 1.00 23.53 H new ATOM 0 HZ3 LYS A 23 -23.122 48.613 5.607 1.00 23.53 H new ATOM 305 N LYS A 24 -25.733 44.949 9.978 1.00 44.31 N ATOM 306 CA LYS A 24 -24.884 44.237 10.950 1.00 35.11 C ATOM 307 C LYS A 24 -24.599 42.828 10.409 1.00 31.34 C ATOM 308 O LYS A 24 -25.518 42.159 9.911 1.00 22.02 O ATOM 309 CB LYS A 24 -25.593 44.196 12.348 1.00 23.25 C ATOM 310 CG LYS A 24 -24.650 44.214 13.583 1.00 74.24 C ATOM 311 CD LYS A 24 -23.824 42.922 13.785 1.00 71.23 C ATOM 312 CE LYS A 24 -22.826 43.039 14.955 1.00 71.41 C ATOM 313 NZ LYS A 24 -23.506 43.282 16.256 1.00 24.41 N ATOM 0 H LYS A 24 -26.414 44.353 9.508 1.00 44.31 H new ATOM 0 HA LYS A 24 -23.935 44.756 11.085 1.00 35.11 H new ATOM 0 HB2 LYS A 24 -26.268 45.049 12.417 1.00 23.25 H new ATOM 0 HB3 LYS A 24 -26.208 43.297 12.397 1.00 23.25 H new ATOM 0 HG2 LYS A 24 -23.964 45.056 13.487 1.00 74.24 H new ATOM 0 HG3 LYS A 24 -25.248 44.390 14.477 1.00 74.24 H new ATOM 0 HD2 LYS A 24 -24.500 42.087 13.970 1.00 71.23 H new ATOM 0 HD3 LYS A 24 -23.280 42.695 12.868 1.00 71.23 H new ATOM 0 HE2 LYS A 24 -22.238 42.124 15.021 1.00 71.41 H new ATOM 0 HE3 LYS A 24 -22.129 43.852 14.755 1.00 71.41 H new ATOM 0 HZ1 LYS A 24 -22.801 43.286 17.021 1.00 24.41 H new ATOM 0 HZ2 LYS A 24 -23.991 44.201 16.228 1.00 24.41 H new ATOM 0 HZ3 LYS A 24 -24.202 42.529 16.430 1.00 24.41 H new ATOM 327 N GLY A 25 -23.331 42.396 10.508 1.00 21.44 N ATOM 328 CA GLY A 25 -22.890 41.104 9.982 1.00 51.51 C ATOM 329 C GLY A 25 -23.328 39.916 10.838 1.00 1.25 C ATOM 330 O GLY A 25 -23.021 39.862 12.037 1.00 52.03 O ATOM 0 H GLY A 25 -22.589 42.935 10.954 1.00 21.44 H new ATOM 0 HA2 GLY A 25 -23.282 40.979 8.973 1.00 51.51 H new ATOM 0 HA3 GLY A 25 -21.803 41.104 9.904 1.00 51.51 H new ATOM 334 N GLY A 26 -24.059 38.973 10.218 1.00 44.00 N ATOM 335 CA GLY A 26 -24.460 37.722 10.872 1.00 34.32 C ATOM 336 C GLY A 26 -23.423 36.618 10.683 1.00 45.44 C ATOM 337 O GLY A 26 -22.337 36.859 10.137 1.00 11.14 O ATOM 0 H GLY A 26 -24.385 39.059 9.255 1.00 44.00 H new ATOM 0 HA2 GLY A 26 -24.608 37.901 11.937 1.00 34.32 H new ATOM 0 HA3 GLY A 26 -25.417 37.393 10.468 1.00 34.32 H new ATOM 341 N GLU A 27 -23.771 35.395 11.109 1.00 41.15 N ATOM 342 CA GLU A 27 -22.865 34.225 11.050 1.00 13.14 C ATOM 343 C GLU A 27 -23.620 32.968 10.537 1.00 0.33 C ATOM 344 O GLU A 27 -24.787 32.770 10.897 1.00 11.45 O ATOM 345 CB GLU A 27 -22.246 33.960 12.459 1.00 60.51 C ATOM 346 CG GLU A 27 -23.267 33.607 13.572 1.00 40.12 C ATOM 347 CD GLU A 27 -22.627 33.394 14.954 1.00 10.34 C ATOM 348 OE1 GLU A 27 -22.102 32.294 15.213 1.00 74.12 O ATOM 349 OE2 GLU A 27 -22.644 34.325 15.787 1.00 73.03 O ATOM 0 H GLU A 27 -24.687 35.183 11.505 1.00 41.15 H new ATOM 0 HA GLU A 27 -22.060 34.442 10.348 1.00 13.14 H new ATOM 0 HB2 GLU A 27 -21.527 33.145 12.375 1.00 60.51 H new ATOM 0 HB3 GLU A 27 -21.689 34.845 12.766 1.00 60.51 H new ATOM 0 HG2 GLU A 27 -24.005 34.406 13.643 1.00 40.12 H new ATOM 0 HG3 GLU A 27 -23.804 32.702 13.287 1.00 40.12 H new ATOM 356 N PRO A 28 -22.986 32.116 9.659 1.00 12.43 N ATOM 357 CA PRO A 28 -23.564 30.817 9.248 1.00 72.04 C ATOM 358 C PRO A 28 -23.217 29.669 10.245 1.00 62.23 C ATOM 359 O PRO A 28 -22.051 29.525 10.648 1.00 51.41 O ATOM 360 CB PRO A 28 -22.924 30.604 7.854 1.00 62.12 C ATOM 361 CG PRO A 28 -21.570 31.256 7.935 1.00 21.44 C ATOM 362 CD PRO A 28 -21.687 32.380 8.964 1.00 41.24 C ATOM 0 HA PRO A 28 -24.654 30.813 9.230 1.00 72.04 H new ATOM 0 HB2 PRO A 28 -22.836 29.543 7.619 1.00 62.12 H new ATOM 0 HB3 PRO A 28 -23.531 31.055 7.069 1.00 62.12 H new ATOM 0 HG2 PRO A 28 -20.810 30.534 8.234 1.00 21.44 H new ATOM 0 HG3 PRO A 28 -21.271 31.650 6.964 1.00 21.44 H new ATOM 0 HD2 PRO A 28 -20.852 32.366 9.664 1.00 41.24 H new ATOM 0 HD3 PRO A 28 -21.685 33.359 8.485 1.00 41.24 H new ATOM 370 N PRO A 29 -24.230 28.848 10.688 1.00 54.23 N ATOM 371 CA PRO A 29 -23.989 27.705 11.585 1.00 3.22 C ATOM 372 C PRO A 29 -23.489 26.461 10.807 1.00 60.14 C ATOM 373 O PRO A 29 -24.252 25.821 10.075 1.00 24.43 O ATOM 374 CB PRO A 29 -25.378 27.486 12.240 1.00 31.22 C ATOM 375 CG PRO A 29 -26.378 27.926 11.206 1.00 10.10 C ATOM 376 CD PRO A 29 -25.687 28.995 10.367 1.00 62.11 C ATOM 0 HA PRO A 29 -23.204 27.884 12.319 1.00 3.22 H new ATOM 0 HB2 PRO A 29 -25.525 26.440 12.510 1.00 31.22 H new ATOM 0 HB3 PRO A 29 -25.477 28.068 13.156 1.00 31.22 H new ATOM 0 HG2 PRO A 29 -26.690 27.086 10.585 1.00 10.10 H new ATOM 0 HG3 PRO A 29 -27.276 28.324 11.679 1.00 10.10 H new ATOM 0 HD2 PRO A 29 -25.875 28.847 9.304 1.00 62.11 H new ATOM 0 HD3 PRO A 29 -26.049 29.992 10.619 1.00 62.11 H new ATOM 384 N ALA A 30 -22.187 26.155 10.934 1.00 43.33 N ATOM 385 CA ALA A 30 -21.583 24.970 10.299 1.00 33.13 C ATOM 386 C ALA A 30 -21.972 23.701 11.080 1.00 12.23 C ATOM 387 O ALA A 30 -21.401 23.408 12.139 1.00 33.21 O ATOM 388 CB ALA A 30 -20.059 25.123 10.208 1.00 64.01 C ATOM 0 H ALA A 30 -21.528 26.716 11.474 1.00 43.33 H new ATOM 0 HA ALA A 30 -21.966 24.878 9.283 1.00 33.13 H new ATOM 0 HB1 ALA A 30 -19.632 24.238 9.736 1.00 64.01 H new ATOM 0 HB2 ALA A 30 -19.817 26.004 9.613 1.00 64.01 H new ATOM 0 HB3 ALA A 30 -19.644 25.236 11.210 1.00 64.01 H new ATOM 394 N LEU A 31 -22.977 22.976 10.556 1.00 14.42 N ATOM 395 CA LEU A 31 -23.545 21.769 11.191 1.00 73.10 C ATOM 396 C LEU A 31 -23.219 20.523 10.341 1.00 11.13 C ATOM 397 O LEU A 31 -23.889 20.261 9.327 1.00 53.55 O ATOM 398 CB LEU A 31 -25.081 21.949 11.355 1.00 53.15 C ATOM 399 CG LEU A 31 -25.541 23.199 12.169 1.00 52.24 C ATOM 400 CD1 LEU A 31 -27.074 23.358 12.116 1.00 71.12 C ATOM 401 CD2 LEU A 31 -25.028 23.142 13.628 1.00 64.33 C ATOM 0 H LEU A 31 -23.424 23.213 9.670 1.00 14.42 H new ATOM 0 HA LEU A 31 -23.103 21.628 12.177 1.00 73.10 H new ATOM 0 HB2 LEU A 31 -25.529 22.002 10.363 1.00 53.15 H new ATOM 0 HB3 LEU A 31 -25.482 21.058 11.838 1.00 53.15 H new ATOM 0 HG LEU A 31 -25.099 24.081 11.705 1.00 52.24 H new ATOM 0 HD11 LEU A 31 -27.369 24.236 12.691 1.00 71.12 H new ATOM 0 HD12 LEU A 31 -27.392 23.479 11.080 1.00 71.12 H new ATOM 0 HD13 LEU A 31 -27.547 22.472 12.539 1.00 71.12 H new ATOM 0 HD21 LEU A 31 -25.366 24.027 14.167 1.00 64.33 H new ATOM 0 HD22 LEU A 31 -25.418 22.249 14.116 1.00 64.33 H new ATOM 0 HD23 LEU A 31 -23.938 23.110 13.630 1.00 64.33 H new ATOM 413 N ILE A 32 -22.163 19.789 10.764 1.00 73.11 N ATOM 414 CA ILE A 32 -21.656 18.568 10.101 1.00 31.34 C ATOM 415 C ILE A 32 -21.366 18.838 8.599 1.00 23.33 C ATOM 416 O ILE A 32 -22.105 18.394 7.711 1.00 64.34 O ATOM 417 CB ILE A 32 -22.628 17.325 10.294 1.00 20.03 C ATOM 418 CG1 ILE A 32 -23.063 17.181 11.790 1.00 33.04 C ATOM 419 CG2 ILE A 32 -21.960 16.015 9.796 1.00 65.54 C ATOM 420 CD1 ILE A 32 -24.095 16.089 12.059 1.00 31.42 C ATOM 0 H ILE A 32 -21.628 20.037 11.596 1.00 73.11 H new ATOM 0 HA ILE A 32 -20.717 18.302 10.587 1.00 31.34 H new ATOM 0 HB ILE A 32 -23.520 17.505 9.694 1.00 20.03 H new ATOM 0 HG12 ILE A 32 -22.177 16.979 12.393 1.00 33.04 H new ATOM 0 HG13 ILE A 32 -23.468 18.135 12.128 1.00 33.04 H new ATOM 0 HG21 ILE A 32 -22.646 15.180 9.939 1.00 65.54 H new ATOM 0 HG22 ILE A 32 -21.719 16.109 8.737 1.00 65.54 H new ATOM 0 HG23 ILE A 32 -21.046 15.835 10.362 1.00 65.54 H new ATOM 0 HD11 ILE A 32 -24.332 16.067 13.123 1.00 31.42 H new ATOM 0 HD12 ILE A 32 -25.001 16.296 11.489 1.00 31.42 H new ATOM 0 HD13 ILE A 32 -23.690 15.123 11.758 1.00 31.42 H new ATOM 432 N VAL A 33 -20.334 19.661 8.338 1.00 44.44 N ATOM 433 CA VAL A 33 -19.896 19.985 6.966 1.00 12.11 C ATOM 434 C VAL A 33 -18.786 19.003 6.557 1.00 3.35 C ATOM 435 O VAL A 33 -17.605 19.230 6.860 1.00 50.21 O ATOM 436 CB VAL A 33 -19.392 21.477 6.851 1.00 44.44 C ATOM 437 CG1 VAL A 33 -19.007 21.844 5.394 1.00 30.25 C ATOM 438 CG2 VAL A 33 -20.437 22.463 7.422 1.00 20.44 C ATOM 0 H VAL A 33 -19.783 20.117 9.065 1.00 44.44 H new ATOM 0 HA VAL A 33 -20.746 19.886 6.291 1.00 12.11 H new ATOM 0 HB VAL A 33 -18.487 21.562 7.453 1.00 44.44 H new ATOM 0 HG11 VAL A 33 -18.665 22.878 5.357 1.00 30.25 H new ATOM 0 HG12 VAL A 33 -18.208 21.186 5.052 1.00 30.25 H new ATOM 0 HG13 VAL A 33 -19.876 21.726 4.747 1.00 30.25 H new ATOM 0 HG21 VAL A 33 -20.063 23.483 7.330 1.00 20.44 H new ATOM 0 HG22 VAL A 33 -21.370 22.367 6.866 1.00 20.44 H new ATOM 0 HG23 VAL A 33 -20.616 22.236 8.473 1.00 20.44 H new ATOM 448 N ASP A 34 -19.215 17.883 5.929 1.00 11.03 N ATOM 449 CA ASP A 34 -18.349 16.740 5.517 1.00 74.50 C ATOM 450 C ASP A 34 -17.790 15.963 6.740 1.00 74.41 C ATOM 451 O ASP A 34 -17.327 16.582 7.708 1.00 43.41 O ATOM 452 CB ASP A 34 -17.187 17.179 4.576 1.00 32.22 C ATOM 453 CG ASP A 34 -17.640 17.520 3.152 1.00 60.53 C ATOM 454 OD1 ASP A 34 -18.022 18.682 2.899 1.00 42.21 O ATOM 455 OD2 ASP A 34 -17.618 16.621 2.278 1.00 74.23 O ATOM 0 H ASP A 34 -20.195 17.740 5.686 1.00 11.03 H new ATOM 0 HA ASP A 34 -18.994 16.067 4.952 1.00 74.50 H new ATOM 0 HB2 ASP A 34 -16.691 18.048 5.008 1.00 32.22 H new ATOM 0 HB3 ASP A 34 -16.447 16.380 4.530 1.00 32.22 H new ATOM 460 N PRO A 35 -17.814 14.581 6.717 1.00 73.15 N ATOM 461 CA PRO A 35 -17.217 13.752 7.797 1.00 52.05 C ATOM 462 C PRO A 35 -15.677 13.853 7.828 1.00 64.52 C ATOM 463 O PRO A 35 -15.063 13.726 8.893 1.00 15.34 O ATOM 464 CB PRO A 35 -17.695 12.315 7.452 1.00 54.13 C ATOM 465 CG PRO A 35 -17.928 12.338 5.972 1.00 14.43 C ATOM 466 CD PRO A 35 -18.446 13.728 5.664 1.00 21.20 C ATOM 0 HA PRO A 35 -17.526 14.075 8.791 1.00 52.05 H new ATOM 0 HB2 PRO A 35 -16.945 11.572 7.724 1.00 54.13 H new ATOM 0 HB3 PRO A 35 -18.606 12.060 7.993 1.00 54.13 H new ATOM 0 HG2 PRO A 35 -17.007 12.133 5.427 1.00 14.43 H new ATOM 0 HG3 PRO A 35 -18.649 11.576 5.677 1.00 14.43 H new ATOM 0 HD2 PRO A 35 -18.160 14.050 4.663 1.00 21.20 H new ATOM 0 HD3 PRO A 35 -19.534 13.770 5.714 1.00 21.20 H new ATOM 474 N LEU A 36 -15.085 14.079 6.628 1.00 4.11 N ATOM 475 CA LEU A 36 -13.624 14.163 6.405 1.00 51.52 C ATOM 476 C LEU A 36 -12.907 12.834 6.748 1.00 65.50 C ATOM 477 O LEU A 36 -11.680 12.793 6.888 1.00 61.14 O ATOM 478 CB LEU A 36 -13.003 15.376 7.167 1.00 3.42 C ATOM 479 CG LEU A 36 -13.591 16.783 6.810 1.00 70.44 C ATOM 480 CD1 LEU A 36 -12.893 17.899 7.611 1.00 52.03 C ATOM 481 CD2 LEU A 36 -13.519 17.058 5.294 1.00 41.23 C ATOM 0 H LEU A 36 -15.624 14.210 5.772 1.00 4.11 H new ATOM 0 HA LEU A 36 -13.468 14.334 5.340 1.00 51.52 H new ATOM 0 HB2 LEU A 36 -13.130 15.212 8.237 1.00 3.42 H new ATOM 0 HB3 LEU A 36 -11.931 15.392 6.972 1.00 3.42 H new ATOM 0 HG LEU A 36 -14.644 16.778 7.093 1.00 70.44 H new ATOM 0 HD11 LEU A 36 -13.323 18.864 7.341 1.00 52.03 H new ATOM 0 HD12 LEU A 36 -13.034 17.724 8.678 1.00 52.03 H new ATOM 0 HD13 LEU A 36 -11.827 17.900 7.381 1.00 52.03 H new ATOM 0 HD21 LEU A 36 -13.936 18.043 5.083 1.00 41.23 H new ATOM 0 HD22 LEU A 36 -12.480 17.026 4.967 1.00 41.23 H new ATOM 0 HD23 LEU A 36 -14.091 16.300 4.759 1.00 41.23 H new ATOM 493 N MET A 37 -13.694 11.745 6.847 1.00 62.44 N ATOM 494 CA MET A 37 -13.192 10.388 7.091 1.00 10.24 C ATOM 495 C MET A 37 -13.156 9.626 5.758 1.00 33.22 C ATOM 496 O MET A 37 -14.197 9.163 5.260 1.00 51.10 O ATOM 497 CB MET A 37 -14.073 9.641 8.136 1.00 65.41 C ATOM 498 CG MET A 37 -13.668 8.176 8.371 1.00 30.43 C ATOM 499 SD MET A 37 -14.729 7.327 9.556 1.00 1.12 S ATOM 500 CE MET A 37 -14.145 5.637 9.392 1.00 52.42 C ATOM 0 H MET A 37 -14.709 11.789 6.758 1.00 62.44 H new ATOM 0 HA MET A 37 -12.185 10.446 7.505 1.00 10.24 H new ATOM 0 HB2 MET A 37 -14.024 10.176 9.084 1.00 65.41 H new ATOM 0 HB3 MET A 37 -15.112 9.671 7.806 1.00 65.41 H new ATOM 0 HG2 MET A 37 -13.695 7.642 7.421 1.00 30.43 H new ATOM 0 HG3 MET A 37 -12.638 8.143 8.727 1.00 30.43 H new ATOM 0 HE1 MET A 37 -14.708 4.991 10.065 1.00 52.42 H new ATOM 0 HE2 MET A 37 -14.286 5.301 8.365 1.00 52.42 H new ATOM 0 HE3 MET A 37 -13.086 5.592 9.647 1.00 52.42 H new ATOM 510 N LYS A 38 -11.960 9.561 5.162 1.00 5.43 N ATOM 511 CA LYS A 38 -11.709 8.819 3.923 1.00 64.24 C ATOM 512 C LYS A 38 -10.213 8.526 3.786 1.00 64.50 C ATOM 513 O LYS A 38 -9.373 9.151 4.451 1.00 75.45 O ATOM 514 CB LYS A 38 -12.229 9.604 2.682 1.00 14.21 C ATOM 515 CG LYS A 38 -11.565 10.982 2.440 1.00 15.21 C ATOM 516 CD LYS A 38 -12.061 11.664 1.141 1.00 2.32 C ATOM 517 CE LYS A 38 -11.372 13.013 0.876 1.00 61.42 C ATOM 518 NZ LYS A 38 -11.791 13.600 -0.426 1.00 52.51 N ATOM 0 H LYS A 38 -11.131 10.027 5.531 1.00 5.43 H new ATOM 0 HA LYS A 38 -12.253 7.876 3.970 1.00 64.24 H new ATOM 0 HB2 LYS A 38 -12.080 8.988 1.795 1.00 14.21 H new ATOM 0 HB3 LYS A 38 -13.303 9.752 2.791 1.00 14.21 H new ATOM 0 HG2 LYS A 38 -11.770 11.634 3.289 1.00 15.21 H new ATOM 0 HG3 LYS A 38 -10.484 10.856 2.389 1.00 15.21 H new ATOM 0 HD2 LYS A 38 -11.884 10.998 0.296 1.00 2.32 H new ATOM 0 HD3 LYS A 38 -13.138 11.818 1.205 1.00 2.32 H new ATOM 0 HE2 LYS A 38 -11.610 13.708 1.682 1.00 61.42 H new ATOM 0 HE3 LYS A 38 -10.291 12.877 0.882 1.00 61.42 H new ATOM 0 HZ1 LYS A 38 -11.306 14.509 -0.569 1.00 52.51 H new ATOM 0 HZ2 LYS A 38 -11.541 12.948 -1.197 1.00 52.51 H new ATOM 0 HZ3 LYS A 38 -12.820 13.754 -0.423 1.00 52.51 H new ATOM 532 N TYR A 39 -9.883 7.546 2.945 1.00 20.41 N ATOM 533 CA TYR A 39 -8.506 7.263 2.532 1.00 52.34 C ATOM 534 C TYR A 39 -8.407 7.440 1.020 1.00 1.41 C ATOM 535 O TYR A 39 -7.654 8.301 0.536 1.00 62.32 O ATOM 536 CB TYR A 39 -8.078 5.833 2.938 1.00 2.23 C ATOM 537 CG TYR A 39 -8.001 5.589 4.449 1.00 41.11 C ATOM 538 CD1 TYR A 39 -7.130 6.338 5.243 1.00 1.41 C ATOM 539 CD2 TYR A 39 -8.775 4.608 5.075 1.00 2.44 C ATOM 540 CE1 TYR A 39 -7.043 6.120 6.601 1.00 24.15 C ATOM 541 CE2 TYR A 39 -8.684 4.385 6.436 1.00 65.15 C ATOM 542 CZ TYR A 39 -7.816 5.141 7.192 1.00 5.34 C ATOM 543 OH TYR A 39 -7.719 4.925 8.547 1.00 60.41 O ATOM 0 H TYR A 39 -10.570 6.919 2.526 1.00 20.41 H new ATOM 0 HA TYR A 39 -7.832 7.956 3.035 1.00 52.34 H new ATOM 0 HB2 TYR A 39 -8.781 5.122 2.505 1.00 2.23 H new ATOM 0 HB3 TYR A 39 -7.102 5.623 2.500 1.00 2.23 H new ATOM 0 HD1 TYR A 39 -6.515 7.099 4.786 1.00 1.41 H new ATOM 0 HD2 TYR A 39 -9.456 4.013 4.485 1.00 2.44 H new ATOM 0 HE1 TYR A 39 -6.371 6.714 7.202 1.00 24.15 H new ATOM 0 HE2 TYR A 39 -9.290 3.623 6.904 1.00 65.15 H new ATOM 0 HH TYR A 39 -8.329 4.203 8.808 1.00 60.41 H new ATOM 553 N ILE A 40 -9.211 6.623 0.300 1.00 12.34 N ATOM 554 CA ILE A 40 -9.217 6.535 -1.182 1.00 61.33 C ATOM 555 C ILE A 40 -7.870 5.978 -1.696 1.00 23.22 C ATOM 556 O ILE A 40 -6.802 6.354 -1.208 1.00 15.11 O ATOM 557 CB ILE A 40 -9.621 7.919 -1.852 1.00 65.22 C ATOM 558 CG1 ILE A 40 -11.158 8.163 -1.661 1.00 71.35 C ATOM 559 CG2 ILE A 40 -9.205 8.028 -3.340 1.00 31.24 C ATOM 560 CD1 ILE A 40 -11.712 9.431 -2.294 1.00 51.33 C ATOM 0 H ILE A 40 -9.885 5.996 0.738 1.00 12.34 H new ATOM 0 HA ILE A 40 -9.989 5.828 -1.485 1.00 61.33 H new ATOM 0 HB ILE A 40 -9.063 8.705 -1.343 1.00 65.22 H new ATOM 0 HG12 ILE A 40 -11.696 7.309 -2.073 1.00 71.35 H new ATOM 0 HG13 ILE A 40 -11.372 8.190 -0.593 1.00 71.35 H new ATOM 0 HG21 ILE A 40 -9.512 8.997 -3.733 1.00 31.24 H new ATOM 0 HG22 ILE A 40 -8.123 7.928 -3.423 1.00 31.24 H new ATOM 0 HG23 ILE A 40 -9.688 7.235 -3.912 1.00 31.24 H new ATOM 0 HD11 ILE A 40 -12.782 9.497 -2.099 1.00 51.33 H new ATOM 0 HD12 ILE A 40 -11.211 10.300 -1.867 1.00 51.33 H new ATOM 0 HD13 ILE A 40 -11.540 9.406 -3.370 1.00 51.33 H new ATOM 572 N CYS A 41 -7.920 5.056 -2.673 1.00 52.01 N ATOM 573 CA CYS A 41 -6.707 4.456 -3.211 1.00 44.20 C ATOM 574 C CYS A 41 -6.022 5.462 -4.138 1.00 63.44 C ATOM 575 O CYS A 41 -6.639 5.938 -5.100 1.00 4.24 O ATOM 576 CB CYS A 41 -7.027 3.166 -3.970 1.00 52.32 C ATOM 577 SG CYS A 41 -5.555 2.290 -4.564 1.00 1.02 S ATOM 0 H CYS A 41 -8.784 4.718 -3.097 1.00 52.01 H new ATOM 0 HA CYS A 41 -6.039 4.201 -2.388 1.00 44.20 H new ATOM 0 HB2 CYS A 41 -7.596 2.503 -3.319 1.00 52.32 H new ATOM 0 HB3 CYS A 41 -7.666 3.404 -4.820 1.00 52.32 H new ATOM 582 N HIS A 42 -4.763 5.783 -3.818 1.00 52.43 N ATOM 583 CA HIS A 42 -3.924 6.723 -4.584 1.00 0.25 C ATOM 584 C HIS A 42 -3.737 6.271 -6.055 1.00 12.35 C ATOM 585 O HIS A 42 -3.497 7.093 -6.938 1.00 34.54 O ATOM 586 CB HIS A 42 -2.565 6.849 -3.836 1.00 43.43 C ATOM 587 CG HIS A 42 -1.527 7.736 -4.481 1.00 13.33 C ATOM 588 ND1 HIS A 42 -1.404 9.077 -4.202 1.00 52.41 N ATOM 589 CD2 HIS A 42 -0.526 7.442 -5.335 1.00 2.24 C ATOM 590 CE1 HIS A 42 -0.387 9.571 -4.870 1.00 73.22 C ATOM 591 NE2 HIS A 42 0.169 8.598 -5.557 1.00 5.12 N ATOM 0 H HIS A 42 -4.287 5.392 -3.005 1.00 52.43 H new ATOM 0 HA HIS A 42 -4.411 7.696 -4.643 1.00 0.25 H new ATOM 0 HB2 HIS A 42 -2.761 7.225 -2.832 1.00 43.43 H new ATOM 0 HB3 HIS A 42 -2.141 5.851 -3.725 1.00 43.43 H new ATOM 0 HD2 HIS A 42 -0.313 6.474 -5.764 1.00 2.24 H new ATOM 0 HE1 HIS A 42 -0.063 10.601 -4.857 1.00 73.22 H new ATOM 0 HE2 HIS A 42 0.987 8.691 -6.159 1.00 5.12 H new ATOM 600 N ILE A 43 -3.898 4.959 -6.312 1.00 32.55 N ATOM 601 CA ILE A 43 -3.581 4.342 -7.614 1.00 11.23 C ATOM 602 C ILE A 43 -4.877 3.959 -8.355 1.00 71.41 C ATOM 603 O ILE A 43 -5.072 4.336 -9.517 1.00 73.04 O ATOM 604 CB ILE A 43 -2.657 3.053 -7.463 1.00 71.33 C ATOM 605 CG1 ILE A 43 -1.307 3.371 -6.722 1.00 23.11 C ATOM 606 CG2 ILE A 43 -2.371 2.397 -8.834 1.00 11.43 C ATOM 607 CD1 ILE A 43 -1.439 3.589 -5.228 1.00 11.45 C ATOM 0 H ILE A 43 -4.252 4.296 -5.622 1.00 32.55 H new ATOM 0 HA ILE A 43 -3.029 5.084 -8.190 1.00 11.23 H new ATOM 0 HB ILE A 43 -3.215 2.346 -6.849 1.00 71.33 H new ATOM 0 HG12 ILE A 43 -0.611 2.550 -6.895 1.00 23.11 H new ATOM 0 HG13 ILE A 43 -0.865 4.262 -7.168 1.00 23.11 H new ATOM 0 HG21 ILE A 43 -1.738 1.521 -8.693 1.00 11.43 H new ATOM 0 HG22 ILE A 43 -3.311 2.095 -9.296 1.00 11.43 H new ATOM 0 HG23 ILE A 43 -1.862 3.112 -9.480 1.00 11.43 H new ATOM 0 HD11 ILE A 43 -0.458 3.802 -4.803 1.00 11.45 H new ATOM 0 HD12 ILE A 43 -2.106 4.430 -5.041 1.00 11.45 H new ATOM 0 HD13 ILE A 43 -1.848 2.691 -4.764 1.00 11.45 H new ATOM 619 N CYS A 44 -5.786 3.226 -7.668 1.00 71.10 N ATOM 620 CA CYS A 44 -6.927 2.555 -8.326 1.00 20.43 C ATOM 621 C CYS A 44 -8.282 3.079 -7.808 1.00 45.44 C ATOM 622 O CYS A 44 -9.302 2.390 -7.925 1.00 12.41 O ATOM 623 CB CYS A 44 -6.793 1.020 -8.152 1.00 21.23 C ATOM 624 SG CYS A 44 -6.727 0.440 -6.425 1.00 40.34 S ATOM 0 H CYS A 44 -5.749 3.086 -6.658 1.00 71.10 H new ATOM 0 HA CYS A 44 -6.903 2.789 -9.390 1.00 20.43 H new ATOM 0 HB2 CYS A 44 -7.636 0.539 -8.649 1.00 21.23 H new ATOM 0 HB3 CYS A 44 -5.890 0.689 -8.665 1.00 21.23 H new ATOM 0 HG CYS A 44 -5.665 0.917 -5.847 1.00 40.34 H new ATOM 629 N ASN A 45 -8.264 4.313 -7.266 1.00 4.53 N ATOM 630 CA ASN A 45 -9.461 5.142 -6.940 1.00 42.41 C ATOM 631 C ASN A 45 -10.194 4.666 -5.676 1.00 33.21 C ATOM 632 O ASN A 45 -10.215 5.360 -4.660 1.00 31.34 O ATOM 633 CB ASN A 45 -10.462 5.256 -8.130 1.00 71.22 C ATOM 634 CG ASN A 45 -9.832 5.844 -9.399 1.00 72.33 C ATOM 635 OD1 ASN A 45 -9.765 7.062 -9.568 1.00 60.44 O ATOM 636 ND2 ASN A 45 -9.389 4.982 -10.306 1.00 11.43 N ATOM 0 H ASN A 45 -7.390 4.784 -7.032 1.00 4.53 H new ATOM 0 HA ASN A 45 -9.063 6.137 -6.740 1.00 42.41 H new ATOM 0 HB2 ASN A 45 -10.861 4.267 -8.356 1.00 71.22 H new ATOM 0 HB3 ASN A 45 -11.304 5.879 -7.829 1.00 71.22 H new ATOM 0 HD21 ASN A 45 -8.978 5.322 -11.175 1.00 11.43 H new ATOM 0 HD22 ASN A 45 -9.460 3.979 -10.134 1.00 11.43 H new ATOM 643 N ARG A 46 -10.767 3.461 -5.750 1.00 41.42 N ATOM 644 CA ARG A 46 -11.754 2.959 -4.777 1.00 14.34 C ATOM 645 C ARG A 46 -11.197 2.894 -3.338 1.00 12.22 C ATOM 646 O ARG A 46 -10.168 2.265 -3.074 1.00 41.43 O ATOM 647 CB ARG A 46 -12.282 1.572 -5.234 1.00 62.11 C ATOM 648 CG ARG A 46 -13.097 1.615 -6.546 1.00 4.42 C ATOM 649 CD ARG A 46 -13.516 0.224 -7.052 1.00 41.55 C ATOM 650 NE ARG A 46 -14.296 -0.547 -6.054 1.00 2.44 N ATOM 651 CZ ARG A 46 -15.474 -1.148 -6.285 1.00 54.25 C ATOM 652 NH1 ARG A 46 -16.066 -1.085 -7.478 1.00 32.20 N ATOM 653 NH2 ARG A 46 -16.053 -1.848 -5.313 1.00 11.33 N ATOM 0 H ARG A 46 -10.559 2.795 -6.494 1.00 41.42 H new ATOM 0 HA ARG A 46 -12.579 3.670 -4.750 1.00 14.34 H new ATOM 0 HB2 ARG A 46 -11.436 0.897 -5.365 1.00 62.11 H new ATOM 0 HB3 ARG A 46 -12.905 1.153 -4.444 1.00 62.11 H new ATOM 0 HG2 ARG A 46 -13.990 2.221 -6.391 1.00 4.42 H new ATOM 0 HG3 ARG A 46 -12.506 2.110 -7.316 1.00 4.42 H new ATOM 0 HD2 ARG A 46 -14.109 0.337 -7.959 1.00 41.55 H new ATOM 0 HD3 ARG A 46 -12.624 -0.341 -7.323 1.00 41.55 H new ATOM 0 HE ARG A 46 -13.906 -0.627 -5.115 1.00 2.44 H new ATOM 0 HH11 ARG A 46 -15.624 -0.572 -8.240 1.00 32.20 H new ATOM 0 HH12 ARG A 46 -16.961 -1.550 -7.628 1.00 32.20 H new ATOM 0 HH21 ARG A 46 -15.602 -1.925 -4.401 1.00 11.33 H new ATOM 0 HH22 ARG A 46 -16.948 -2.308 -5.479 1.00 11.33 H new ATOM 667 N GLY A 47 -11.918 3.569 -2.419 1.00 71.22 N ATOM 668 CA GLY A 47 -11.681 3.468 -0.979 1.00 42.31 C ATOM 669 C GLY A 47 -12.714 2.540 -0.372 1.00 51.22 C ATOM 670 O GLY A 47 -13.261 2.791 0.706 1.00 23.31 O ATOM 0 H GLY A 47 -12.682 4.199 -2.664 1.00 71.22 H new ATOM 0 HA2 GLY A 47 -10.677 3.089 -0.789 1.00 42.31 H new ATOM 0 HA3 GLY A 47 -11.743 4.453 -0.517 1.00 42.31 H new ATOM 674 N ASP A 48 -12.976 1.465 -1.125 1.00 62.04 N ATOM 675 CA ASP A 48 -14.030 0.477 -0.875 1.00 32.24 C ATOM 676 C ASP A 48 -13.425 -0.728 -0.147 1.00 25.55 C ATOM 677 O ASP A 48 -13.920 -1.159 0.901 1.00 64.12 O ATOM 678 CB ASP A 48 -14.634 0.065 -2.250 1.00 11.53 C ATOM 679 CG ASP A 48 -15.668 -1.069 -2.176 1.00 33.04 C ATOM 680 OD1 ASP A 48 -16.859 -0.789 -1.949 1.00 42.45 O ATOM 681 OD2 ASP A 48 -15.298 -2.244 -2.378 1.00 65.42 O ATOM 0 H ASP A 48 -12.434 1.251 -1.962 1.00 62.04 H new ATOM 0 HA ASP A 48 -14.820 0.887 -0.246 1.00 32.24 H new ATOM 0 HB2 ASP A 48 -15.103 0.938 -2.703 1.00 11.53 H new ATOM 0 HB3 ASP A 48 -13.824 -0.241 -2.912 1.00 11.53 H new ATOM 686 N VAL A 49 -12.326 -1.247 -0.721 1.00 33.41 N ATOM 687 CA VAL A 49 -11.562 -2.367 -0.163 1.00 71.31 C ATOM 688 C VAL A 49 -10.540 -1.812 0.855 1.00 51.02 C ATOM 689 O VAL A 49 -9.333 -1.760 0.609 1.00 62.21 O ATOM 690 CB VAL A 49 -10.871 -3.189 -1.318 1.00 5.40 C ATOM 691 CG1 VAL A 49 -10.098 -4.413 -0.791 1.00 23.32 C ATOM 692 CG2 VAL A 49 -11.901 -3.625 -2.383 1.00 31.40 C ATOM 0 H VAL A 49 -11.942 -0.893 -1.597 1.00 33.41 H new ATOM 0 HA VAL A 49 -12.225 -3.057 0.358 1.00 71.31 H new ATOM 0 HB VAL A 49 -10.145 -2.521 -1.781 1.00 5.40 H new ATOM 0 HG11 VAL A 49 -9.642 -4.943 -1.627 1.00 23.32 H new ATOM 0 HG12 VAL A 49 -9.320 -4.083 -0.103 1.00 23.32 H new ATOM 0 HG13 VAL A 49 -10.785 -5.080 -0.270 1.00 23.32 H new ATOM 0 HG21 VAL A 49 -11.397 -4.190 -3.167 1.00 31.40 H new ATOM 0 HG22 VAL A 49 -12.663 -4.251 -1.918 1.00 31.40 H new ATOM 0 HG23 VAL A 49 -12.371 -2.743 -2.817 1.00 31.40 H new ATOM 702 N GLU A 50 -11.060 -1.343 1.991 1.00 0.14 N ATOM 703 CA GLU A 50 -10.246 -0.724 3.050 1.00 73.43 C ATOM 704 C GLU A 50 -9.531 -1.793 3.894 1.00 21.53 C ATOM 705 O GLU A 50 -8.525 -1.500 4.548 1.00 1.11 O ATOM 706 CB GLU A 50 -11.119 0.193 3.934 1.00 73.32 C ATOM 707 CG GLU A 50 -11.826 1.311 3.145 1.00 1.20 C ATOM 708 CD GLU A 50 -12.560 2.338 4.020 1.00 72.13 C ATOM 709 OE1 GLU A 50 -13.716 2.080 4.417 1.00 75.42 O ATOM 710 OE2 GLU A 50 -11.988 3.417 4.308 1.00 51.33 O ATOM 0 H GLU A 50 -12.056 -1.379 2.207 1.00 0.14 H new ATOM 0 HA GLU A 50 -9.478 -0.111 2.578 1.00 73.43 H new ATOM 0 HB2 GLU A 50 -11.869 -0.412 4.443 1.00 73.32 H new ATOM 0 HB3 GLU A 50 -10.495 0.642 4.706 1.00 73.32 H new ATOM 0 HG2 GLU A 50 -11.087 1.832 2.536 1.00 1.20 H new ATOM 0 HG3 GLU A 50 -12.542 0.858 2.459 1.00 1.20 H new ATOM 717 N GLU A 51 -10.057 -3.034 3.855 1.00 12.30 N ATOM 718 CA GLU A 51 -9.468 -4.186 4.566 1.00 44.31 C ATOM 719 C GLU A 51 -8.063 -4.540 4.023 1.00 22.43 C ATOM 720 O GLU A 51 -7.172 -4.911 4.791 1.00 51.22 O ATOM 721 CB GLU A 51 -10.431 -5.402 4.483 1.00 64.40 C ATOM 722 CG GLU A 51 -10.766 -5.868 3.054 1.00 51.34 C ATOM 723 CD GLU A 51 -11.818 -6.983 3.012 1.00 23.04 C ATOM 724 OE1 GLU A 51 -11.464 -8.153 3.261 1.00 54.21 O ATOM 725 OE2 GLU A 51 -13.004 -6.697 2.727 1.00 31.54 O ATOM 0 H GLU A 51 -10.901 -3.265 3.330 1.00 12.30 H new ATOM 0 HA GLU A 51 -9.337 -3.913 5.613 1.00 44.31 H new ATOM 0 HB2 GLU A 51 -9.987 -6.236 5.027 1.00 64.40 H new ATOM 0 HB3 GLU A 51 -11.360 -5.147 4.993 1.00 64.40 H new ATOM 0 HG2 GLU A 51 -11.126 -5.016 2.476 1.00 51.34 H new ATOM 0 HG3 GLU A 51 -9.854 -6.219 2.570 1.00 51.34 H new ATOM 732 N SER A 52 -7.865 -4.361 2.704 1.00 21.04 N ATOM 733 CA SER A 52 -6.579 -4.640 2.032 1.00 70.54 C ATOM 734 C SER A 52 -5.819 -3.333 1.768 1.00 14.14 C ATOM 735 O SER A 52 -4.757 -3.346 1.144 1.00 62.01 O ATOM 736 CB SER A 52 -6.833 -5.393 0.709 1.00 43.52 C ATOM 737 OG SER A 52 -7.559 -6.581 0.938 1.00 41.51 O ATOM 0 H SER A 52 -8.590 -4.019 2.073 1.00 21.04 H new ATOM 0 HA SER A 52 -5.968 -5.266 2.682 1.00 70.54 H new ATOM 0 HB2 SER A 52 -7.384 -4.752 0.021 1.00 43.52 H new ATOM 0 HB3 SER A 52 -5.882 -5.629 0.232 1.00 43.52 H new ATOM 0 HG SER A 52 -7.710 -7.041 0.086 1.00 41.51 H new ATOM 743 N MET A 53 -6.389 -2.203 2.222 1.00 72.33 N ATOM 744 CA MET A 53 -5.760 -0.881 2.093 1.00 64.01 C ATOM 745 C MET A 53 -4.816 -0.623 3.280 1.00 3.32 C ATOM 746 O MET A 53 -5.268 -0.502 4.428 1.00 63.32 O ATOM 747 CB MET A 53 -6.837 0.235 1.993 1.00 42.53 C ATOM 748 CG MET A 53 -6.285 1.660 1.859 1.00 44.22 C ATOM 749 SD MET A 53 -7.595 2.881 1.648 1.00 42.22 S ATOM 750 CE MET A 53 -8.327 2.378 0.092 1.00 12.04 C ATOM 0 H MET A 53 -7.296 -2.183 2.687 1.00 72.33 H new ATOM 0 HA MET A 53 -5.174 -0.865 1.174 1.00 64.01 H new ATOM 0 HB2 MET A 53 -7.475 0.027 1.134 1.00 42.53 H new ATOM 0 HB3 MET A 53 -7.470 0.189 2.879 1.00 42.53 H new ATOM 0 HG2 MET A 53 -5.701 1.906 2.746 1.00 44.22 H new ATOM 0 HG3 MET A 53 -5.607 1.706 1.007 1.00 44.22 H new ATOM 0 HE1 MET A 53 -8.491 3.255 -0.534 1.00 12.04 H new ATOM 0 HE2 MET A 53 -7.656 1.688 -0.419 1.00 12.04 H new ATOM 0 HE3 MET A 53 -9.280 1.884 0.281 1.00 12.04 H new ATOM 760 N LEU A 54 -3.509 -0.549 2.992 1.00 20.44 N ATOM 761 CA LEU A 54 -2.479 -0.211 3.975 1.00 24.33 C ATOM 762 C LEU A 54 -2.348 1.315 4.017 1.00 34.24 C ATOM 763 O LEU A 54 -2.169 1.957 2.973 1.00 11.24 O ATOM 764 CB LEU A 54 -1.105 -0.860 3.621 1.00 51.42 C ATOM 765 CG LEU A 54 -1.057 -2.434 3.567 1.00 44.53 C ATOM 766 CD1 LEU A 54 -1.720 -2.996 2.293 1.00 41.42 C ATOM 767 CD2 LEU A 54 0.386 -2.950 3.701 1.00 13.31 C ATOM 0 H LEU A 54 -3.137 -0.725 2.059 1.00 20.44 H new ATOM 0 HA LEU A 54 -2.772 -0.601 4.949 1.00 24.33 H new ATOM 0 HB2 LEU A 54 -0.788 -0.477 2.651 1.00 51.42 H new ATOM 0 HB3 LEU A 54 -0.371 -0.522 4.353 1.00 51.42 H new ATOM 0 HG LEU A 54 -1.634 -2.795 4.418 1.00 44.53 H new ATOM 0 HD11 LEU A 54 -1.662 -4.084 2.302 1.00 41.42 H new ATOM 0 HD12 LEU A 54 -2.765 -2.689 2.261 1.00 41.42 H new ATOM 0 HD13 LEU A 54 -1.202 -2.612 1.414 1.00 41.42 H new ATOM 0 HD21 LEU A 54 0.388 -4.039 3.660 1.00 13.31 H new ATOM 0 HD22 LEU A 54 0.991 -2.555 2.885 1.00 13.31 H new ATOM 0 HD23 LEU A 54 0.803 -2.622 4.653 1.00 13.31 H new ATOM 779 N LEU A 55 -2.433 1.885 5.216 1.00 14.41 N ATOM 780 CA LEU A 55 -2.303 3.328 5.436 1.00 4.43 C ATOM 781 C LEU A 55 -0.876 3.571 5.919 1.00 61.54 C ATOM 782 O LEU A 55 -0.433 2.947 6.887 1.00 33.14 O ATOM 783 CB LEU A 55 -3.378 3.819 6.458 1.00 2.43 C ATOM 784 CG LEU A 55 -3.433 5.359 6.817 1.00 10.31 C ATOM 785 CD1 LEU A 55 -2.402 5.770 7.905 1.00 61.34 C ATOM 786 CD2 LEU A 55 -3.296 6.243 5.547 1.00 24.32 C ATOM 0 H LEU A 55 -2.596 1.356 6.072 1.00 14.41 H new ATOM 0 HA LEU A 55 -2.479 3.897 4.523 1.00 4.43 H new ATOM 0 HB2 LEU A 55 -4.357 3.534 6.072 1.00 2.43 H new ATOM 0 HB3 LEU A 55 -3.229 3.268 7.386 1.00 2.43 H new ATOM 0 HG LEU A 55 -4.418 5.534 7.249 1.00 10.31 H new ATOM 0 HD11 LEU A 55 -2.491 6.838 8.106 1.00 61.34 H new ATOM 0 HD12 LEU A 55 -2.597 5.211 8.820 1.00 61.34 H new ATOM 0 HD13 LEU A 55 -1.394 5.550 7.553 1.00 61.34 H new ATOM 0 HD21 LEU A 55 -3.338 7.295 5.830 1.00 24.32 H new ATOM 0 HD22 LEU A 55 -2.343 6.036 5.060 1.00 24.32 H new ATOM 0 HD23 LEU A 55 -4.111 6.020 4.859 1.00 24.32 H new ATOM 798 N CYS A 56 -0.155 4.460 5.235 1.00 2.11 N ATOM 799 CA CYS A 56 1.260 4.704 5.494 1.00 61.41 C ATOM 800 C CYS A 56 1.444 5.673 6.676 1.00 62.14 C ATOM 801 O CYS A 56 1.004 6.826 6.616 1.00 0.11 O ATOM 802 CB CYS A 56 1.937 5.252 4.232 1.00 61.31 C ATOM 803 SG CYS A 56 3.737 5.261 4.369 1.00 72.31 S ATOM 0 H CYS A 56 -0.540 5.032 4.483 1.00 2.11 H new ATOM 0 HA CYS A 56 1.732 3.759 5.762 1.00 61.41 H new ATOM 0 HB2 CYS A 56 1.643 4.648 3.373 1.00 61.31 H new ATOM 0 HB3 CYS A 56 1.584 6.266 4.044 1.00 61.31 H new ATOM 0 HG CYS A 56 4.155 6.484 4.511 1.00 72.31 H new ATOM 808 N ASP A 57 2.115 5.182 7.728 1.00 1.32 N ATOM 809 CA ASP A 57 2.351 5.920 8.983 1.00 55.11 C ATOM 810 C ASP A 57 3.432 7.005 8.803 1.00 62.22 C ATOM 811 O ASP A 57 3.343 8.088 9.393 1.00 34.03 O ATOM 812 CB ASP A 57 2.756 4.908 10.087 1.00 1.54 C ATOM 813 CG ASP A 57 3.131 5.557 11.433 1.00 21.42 C ATOM 814 OD1 ASP A 57 2.268 6.229 12.041 1.00 42.54 O ATOM 815 OD2 ASP A 57 4.280 5.382 11.898 1.00 54.20 O ATOM 0 H ASP A 57 2.517 4.245 7.733 1.00 1.32 H new ATOM 0 HA ASP A 57 1.435 6.433 9.275 1.00 55.11 H new ATOM 0 HB2 ASP A 57 1.931 4.214 10.248 1.00 1.54 H new ATOM 0 HB3 ASP A 57 3.602 4.320 9.732 1.00 1.54 H new ATOM 820 N GLY A 58 4.443 6.704 7.964 1.00 71.33 N ATOM 821 CA GLY A 58 5.567 7.623 7.720 1.00 22.12 C ATOM 822 C GLY A 58 5.285 8.742 6.712 1.00 24.23 C ATOM 823 O GLY A 58 6.201 9.487 6.352 1.00 70.44 O ATOM 0 H GLY A 58 4.502 5.829 7.444 1.00 71.33 H new ATOM 0 HA2 GLY A 58 5.859 8.074 8.668 1.00 22.12 H new ATOM 0 HA3 GLY A 58 6.420 7.043 7.367 1.00 22.12 H new ATOM 827 N CYS A 59 4.020 8.871 6.279 1.00 34.25 N ATOM 828 CA CYS A 59 3.569 9.936 5.354 1.00 50.12 C ATOM 829 C CYS A 59 2.045 10.082 5.488 1.00 71.35 C ATOM 830 O CYS A 59 1.476 9.703 6.520 1.00 73.11 O ATOM 831 CB CYS A 59 3.989 9.627 3.886 1.00 52.35 C ATOM 832 SG CYS A 59 3.125 8.207 3.147 1.00 3.15 S ATOM 0 H CYS A 59 3.272 8.237 6.560 1.00 34.25 H new ATOM 0 HA CYS A 59 4.048 10.879 5.618 1.00 50.12 H new ATOM 0 HB2 CYS A 59 3.804 10.509 3.274 1.00 52.35 H new ATOM 0 HB3 CYS A 59 5.062 9.439 3.859 1.00 52.35 H new ATOM 0 HG CYS A 59 3.936 7.193 3.079 1.00 3.15 H new ATOM 837 N ASP A 60 1.392 10.642 4.458 1.00 33.05 N ATOM 838 CA ASP A 60 -0.074 10.804 4.398 1.00 43.24 C ATOM 839 C ASP A 60 -0.687 9.704 3.504 1.00 74.41 C ATOM 840 O ASP A 60 -1.845 9.329 3.683 1.00 51.53 O ATOM 841 CB ASP A 60 -0.423 12.213 3.824 1.00 41.44 C ATOM 842 CG ASP A 60 -1.935 12.533 3.840 1.00 2.45 C ATOM 843 OD1 ASP A 60 -2.446 12.993 4.887 1.00 31.34 O ATOM 844 OD2 ASP A 60 -2.620 12.328 2.812 1.00 64.15 O ATOM 0 H ASP A 60 1.871 11.000 3.632 1.00 33.05 H new ATOM 0 HA ASP A 60 -0.487 10.715 5.403 1.00 43.24 H new ATOM 0 HB2 ASP A 60 0.106 12.972 4.401 1.00 41.44 H new ATOM 0 HB3 ASP A 60 -0.057 12.279 2.799 1.00 41.44 H new ATOM 849 N ASP A 61 0.138 9.176 2.570 1.00 52.22 N ATOM 850 CA ASP A 61 -0.323 8.350 1.424 1.00 51.01 C ATOM 851 C ASP A 61 -1.027 7.044 1.869 1.00 71.51 C ATOM 852 O ASP A 61 -0.810 6.548 2.984 1.00 73.43 O ATOM 853 CB ASP A 61 0.885 8.032 0.468 1.00 53.34 C ATOM 854 CG ASP A 61 0.513 8.138 -1.022 1.00 62.50 C ATOM 855 OD1 ASP A 61 -0.369 7.389 -1.467 1.00 63.35 O ATOM 856 OD2 ASP A 61 1.065 9.004 -1.734 1.00 74.12 O ATOM 0 H ASP A 61 1.149 9.311 2.588 1.00 52.22 H new ATOM 0 HA ASP A 61 -1.068 8.935 0.885 1.00 51.01 H new ATOM 0 HB2 ASP A 61 1.703 8.720 0.683 1.00 53.34 H new ATOM 0 HB3 ASP A 61 1.251 7.026 0.675 1.00 53.34 H new ATOM 861 N SER A 62 -1.852 6.485 0.967 1.00 12.24 N ATOM 862 CA SER A 62 -2.681 5.301 1.234 1.00 61.02 C ATOM 863 C SER A 62 -2.712 4.401 -0.023 1.00 10.14 C ATOM 864 O SER A 62 -3.097 4.846 -1.115 1.00 72.12 O ATOM 865 CB SER A 62 -4.109 5.740 1.647 1.00 51.34 C ATOM 866 OG SER A 62 -4.895 4.640 2.070 1.00 25.45 O ATOM 0 H SER A 62 -1.962 6.849 0.020 1.00 12.24 H new ATOM 0 HA SER A 62 -2.254 4.728 2.057 1.00 61.02 H new ATOM 0 HB2 SER A 62 -4.046 6.473 2.452 1.00 51.34 H new ATOM 0 HB3 SER A 62 -4.596 6.232 0.805 1.00 51.34 H new ATOM 0 HG SER A 62 -5.613 4.482 1.422 1.00 25.45 H new ATOM 872 N TYR A 63 -2.297 3.137 0.156 1.00 63.31 N ATOM 873 CA TYR A 63 -2.162 2.125 -0.919 1.00 21.12 C ATOM 874 C TYR A 63 -3.017 0.895 -0.588 1.00 12.01 C ATOM 875 O TYR A 63 -3.476 0.738 0.536 1.00 71.11 O ATOM 876 CB TYR A 63 -0.673 1.680 -1.045 1.00 31.32 C ATOM 877 CG TYR A 63 0.283 2.731 -1.632 1.00 64.52 C ATOM 878 CD1 TYR A 63 0.679 3.856 -0.903 1.00 32.22 C ATOM 879 CD2 TYR A 63 0.780 2.596 -2.927 1.00 54.04 C ATOM 880 CE1 TYR A 63 1.523 4.799 -1.454 1.00 53.41 C ATOM 881 CE2 TYR A 63 1.623 3.533 -3.473 1.00 64.45 C ATOM 882 CZ TYR A 63 1.986 4.631 -2.741 1.00 61.42 C ATOM 883 OH TYR A 63 2.805 5.574 -3.304 1.00 72.35 O ATOM 0 H TYR A 63 -2.038 2.775 1.074 1.00 63.31 H new ATOM 0 HA TYR A 63 -2.497 2.567 -1.858 1.00 21.12 H new ATOM 0 HB2 TYR A 63 -0.311 1.397 -0.056 1.00 31.32 H new ATOM 0 HB3 TYR A 63 -0.630 0.787 -1.668 1.00 31.32 H new ATOM 0 HD1 TYR A 63 0.319 3.989 0.107 1.00 32.22 H new ATOM 0 HD2 TYR A 63 0.496 1.735 -3.514 1.00 54.04 H new ATOM 0 HE1 TYR A 63 1.819 5.664 -0.879 1.00 53.41 H new ATOM 0 HE2 TYR A 63 1.998 3.404 -4.477 1.00 64.45 H new ATOM 0 HH TYR A 63 3.041 5.301 -4.215 1.00 72.35 H new ATOM 893 N HIS A 64 -3.226 0.024 -1.588 1.00 32.22 N ATOM 894 CA HIS A 64 -3.724 -1.353 -1.358 1.00 43.34 C ATOM 895 C HIS A 64 -2.545 -2.317 -1.383 1.00 53.24 C ATOM 896 O HIS A 64 -1.393 -1.918 -1.586 1.00 34.23 O ATOM 897 CB HIS A 64 -4.761 -1.799 -2.439 1.00 61.35 C ATOM 898 CG HIS A 64 -6.123 -1.194 -2.322 1.00 32.33 C ATOM 899 ND1 HIS A 64 -6.629 -0.316 -3.261 1.00 13.24 N ATOM 900 CD2 HIS A 64 -7.059 -1.413 -1.374 1.00 41.42 C ATOM 901 CE1 HIS A 64 -7.864 -0.055 -2.860 1.00 63.43 C ATOM 902 NE2 HIS A 64 -8.160 -0.699 -1.729 1.00 70.13 N ATOM 0 H HIS A 64 -3.059 0.245 -2.570 1.00 32.22 H new ATOM 0 HA HIS A 64 -4.225 -1.365 -0.390 1.00 43.34 H new ATOM 0 HB2 HIS A 64 -4.359 -1.556 -3.423 1.00 61.35 H new ATOM 0 HB3 HIS A 64 -4.861 -2.884 -2.394 1.00 61.35 H new ATOM 0 HD2 HIS A 64 -6.953 -2.037 -0.499 1.00 41.42 H new ATOM 0 HE1 HIS A 64 -8.547 0.598 -3.383 1.00 63.43 H new ATOM 0 HE2 HIS A 64 -9.046 -0.662 -1.225 1.00 70.13 H new ATOM 910 N THR A 65 -2.863 -3.589 -1.150 1.00 22.13 N ATOM 911 CA THR A 65 -2.003 -4.715 -1.499 1.00 63.41 C ATOM 912 C THR A 65 -1.768 -4.708 -3.029 1.00 43.13 C ATOM 913 O THR A 65 -0.629 -4.646 -3.505 1.00 0.43 O ATOM 914 CB THR A 65 -2.693 -6.042 -1.037 1.00 50.42 C ATOM 915 OG1 THR A 65 -4.078 -6.034 -1.430 1.00 24.03 O ATOM 916 CG2 THR A 65 -2.601 -6.245 0.487 1.00 42.04 C ATOM 0 H THR A 65 -3.738 -3.869 -0.707 1.00 22.13 H new ATOM 0 HA THR A 65 -1.037 -4.636 -1.000 1.00 63.41 H new ATOM 0 HB THR A 65 -2.166 -6.866 -1.518 1.00 50.42 H new ATOM 0 HG1 THR A 65 -4.505 -6.867 -1.140 1.00 24.03 H new ATOM 0 HG21 THR A 65 -3.093 -7.178 0.760 1.00 42.04 H new ATOM 0 HG22 THR A 65 -1.554 -6.286 0.786 1.00 42.04 H new ATOM 0 HG23 THR A 65 -3.091 -5.414 0.995 1.00 42.04 H new ATOM 924 N PHE A 66 -2.893 -4.659 -3.781 1.00 2.25 N ATOM 925 CA PHE A 66 -2.905 -4.624 -5.256 1.00 23.24 C ATOM 926 C PHE A 66 -3.003 -3.156 -5.744 1.00 65.43 C ATOM 927 O PHE A 66 -4.066 -2.669 -6.146 1.00 63.05 O ATOM 928 CB PHE A 66 -4.060 -5.526 -5.836 1.00 2.24 C ATOM 929 CG PHE A 66 -5.473 -5.262 -5.274 1.00 64.23 C ATOM 930 CD1 PHE A 66 -5.847 -5.759 -4.025 1.00 44.43 C ATOM 931 CD2 PHE A 66 -6.427 -4.539 -6.001 1.00 43.40 C ATOM 932 CE1 PHE A 66 -7.113 -5.534 -3.519 1.00 73.21 C ATOM 933 CE2 PHE A 66 -7.690 -4.314 -5.490 1.00 3.31 C ATOM 934 CZ PHE A 66 -8.034 -4.816 -4.251 1.00 41.41 C ATOM 0 H PHE A 66 -3.827 -4.643 -3.372 1.00 2.25 H new ATOM 0 HA PHE A 66 -1.970 -5.040 -5.632 1.00 23.24 H new ATOM 0 HB2 PHE A 66 -4.090 -5.392 -6.917 1.00 2.24 H new ATOM 0 HB3 PHE A 66 -3.806 -6.570 -5.651 1.00 2.24 H new ATOM 0 HD1 PHE A 66 -5.136 -6.328 -3.445 1.00 44.43 H new ATOM 0 HD2 PHE A 66 -6.171 -4.152 -6.976 1.00 43.40 H new ATOM 0 HE1 PHE A 66 -7.381 -5.922 -2.547 1.00 73.21 H new ATOM 0 HE2 PHE A 66 -8.409 -3.745 -6.060 1.00 3.31 H new ATOM 0 HZ PHE A 66 -9.024 -4.646 -3.855 1.00 41.41 H new ATOM 944 N CYS A 67 -1.883 -2.437 -5.604 1.00 72.34 N ATOM 945 CA CYS A 67 -1.726 -1.042 -6.091 1.00 62.42 C ATOM 946 C CYS A 67 -0.281 -0.739 -6.502 1.00 64.54 C ATOM 947 O CYS A 67 -0.023 0.259 -7.186 1.00 14.23 O ATOM 948 CB CYS A 67 -2.205 -0.037 -5.030 1.00 21.34 C ATOM 949 SG CYS A 67 -4.008 0.058 -4.912 1.00 42.53 S ATOM 0 H CYS A 67 -1.047 -2.801 -5.147 1.00 72.34 H new ATOM 0 HA CYS A 67 -2.349 -0.938 -6.979 1.00 62.42 H new ATOM 0 HB2 CYS A 67 -1.797 -0.319 -4.059 1.00 21.34 H new ATOM 0 HB3 CYS A 67 -1.809 0.950 -5.267 1.00 21.34 H new ATOM 0 HG CYS A 67 -4.364 1.288 -4.685 1.00 42.53 H new ATOM 954 N LEU A 68 0.652 -1.614 -6.110 1.00 3.32 N ATOM 955 CA LEU A 68 2.088 -1.435 -6.387 1.00 61.23 C ATOM 956 C LEU A 68 2.569 -2.475 -7.409 1.00 50.21 C ATOM 957 O LEU A 68 1.779 -3.299 -7.884 1.00 22.43 O ATOM 958 CB LEU A 68 2.924 -1.530 -5.076 1.00 21.03 C ATOM 959 CG LEU A 68 2.468 -0.580 -3.902 1.00 10.43 C ATOM 960 CD1 LEU A 68 1.533 -1.294 -2.907 1.00 12.22 C ATOM 961 CD2 LEU A 68 3.675 0.067 -3.193 1.00 42.25 C ATOM 0 H LEU A 68 0.437 -2.466 -5.592 1.00 3.32 H new ATOM 0 HA LEU A 68 2.232 -0.440 -6.808 1.00 61.23 H new ATOM 0 HB2 LEU A 68 2.890 -2.559 -4.719 1.00 21.03 H new ATOM 0 HB3 LEU A 68 3.965 -1.309 -5.314 1.00 21.03 H new ATOM 0 HG LEU A 68 1.888 0.226 -4.353 1.00 10.43 H new ATOM 0 HD11 LEU A 68 1.245 -0.601 -2.117 1.00 12.22 H new ATOM 0 HD12 LEU A 68 0.641 -1.639 -3.430 1.00 12.22 H new ATOM 0 HD13 LEU A 68 2.051 -2.148 -2.470 1.00 12.22 H new ATOM 0 HD21 LEU A 68 3.321 0.714 -2.390 1.00 42.25 H new ATOM 0 HD22 LEU A 68 4.313 -0.712 -2.776 1.00 42.25 H new ATOM 0 HD23 LEU A 68 4.245 0.657 -3.911 1.00 42.25 H new ATOM 973 N LEU A 69 3.863 -2.413 -7.746 1.00 10.13 N ATOM 974 CA LEU A 69 4.525 -3.407 -8.591 1.00 43.11 C ATOM 975 C LEU A 69 5.865 -3.813 -7.917 1.00 43.33 C ATOM 976 O LEU A 69 6.756 -2.975 -7.757 1.00 14.04 O ATOM 977 CB LEU A 69 4.722 -2.905 -10.060 1.00 65.21 C ATOM 978 CG LEU A 69 5.535 -1.588 -10.285 1.00 63.21 C ATOM 979 CD1 LEU A 69 5.983 -1.471 -11.756 1.00 30.20 C ATOM 980 CD2 LEU A 69 4.727 -0.345 -9.854 1.00 32.11 C ATOM 0 H LEU A 69 4.483 -1.664 -7.436 1.00 10.13 H new ATOM 0 HA LEU A 69 3.887 -4.287 -8.677 1.00 43.11 H new ATOM 0 HB2 LEU A 69 5.213 -3.700 -10.621 1.00 65.21 H new ATOM 0 HB3 LEU A 69 3.735 -2.767 -10.501 1.00 65.21 H new ATOM 0 HG LEU A 69 6.425 -1.634 -9.657 1.00 63.21 H new ATOM 0 HD11 LEU A 69 6.547 -0.548 -11.892 1.00 30.20 H new ATOM 0 HD12 LEU A 69 6.613 -2.323 -12.013 1.00 30.20 H new ATOM 0 HD13 LEU A 69 5.106 -1.459 -12.404 1.00 30.20 H new ATOM 0 HD21 LEU A 69 5.322 0.552 -10.024 1.00 32.11 H new ATOM 0 HD22 LEU A 69 3.808 -0.288 -10.438 1.00 32.11 H new ATOM 0 HD23 LEU A 69 4.479 -0.421 -8.795 1.00 32.11 H new ATOM 992 N PRO A 70 6.018 -5.093 -7.440 1.00 51.04 N ATOM 993 CA PRO A 70 4.948 -6.117 -7.490 1.00 30.22 C ATOM 994 C PRO A 70 3.872 -5.927 -6.374 1.00 71.22 C ATOM 995 O PRO A 70 4.208 -5.487 -5.264 1.00 32.22 O ATOM 996 CB PRO A 70 5.734 -7.441 -7.339 1.00 41.33 C ATOM 997 CG PRO A 70 6.932 -7.087 -6.504 1.00 35.20 C ATOM 998 CD PRO A 70 7.267 -5.637 -6.833 1.00 40.24 C ATOM 0 HA PRO A 70 4.361 -6.070 -8.407 1.00 30.22 H new ATOM 0 HB2 PRO A 70 5.128 -8.207 -6.855 1.00 41.33 H new ATOM 0 HB3 PRO A 70 6.032 -7.836 -8.310 1.00 41.33 H new ATOM 0 HG2 PRO A 70 6.715 -7.205 -5.442 1.00 35.20 H new ATOM 0 HG3 PRO A 70 7.773 -7.742 -6.732 1.00 35.20 H new ATOM 0 HD2 PRO A 70 7.548 -5.082 -5.938 1.00 40.24 H new ATOM 0 HD3 PRO A 70 8.106 -5.571 -7.525 1.00 40.24 H new ATOM 1006 N PRO A 71 2.552 -6.193 -6.689 1.00 74.44 N ATOM 1007 CA PRO A 71 1.452 -6.072 -5.700 1.00 34.02 C ATOM 1008 C PRO A 71 1.675 -6.995 -4.479 1.00 3.30 C ATOM 1009 O PRO A 71 1.905 -8.201 -4.646 1.00 3.33 O ATOM 1010 CB PRO A 71 0.181 -6.474 -6.513 1.00 3.14 C ATOM 1011 CG PRO A 71 0.691 -7.212 -7.719 1.00 11.21 C ATOM 1012 CD PRO A 71 2.032 -6.590 -8.032 1.00 71.40 C ATOM 0 HA PRO A 71 1.376 -5.071 -5.275 1.00 34.02 H new ATOM 0 HB2 PRO A 71 -0.482 -7.104 -5.919 1.00 3.14 H new ATOM 0 HB3 PRO A 71 -0.392 -5.594 -6.805 1.00 3.14 H new ATOM 0 HG2 PRO A 71 0.790 -8.278 -7.514 1.00 11.21 H new ATOM 0 HG3 PRO A 71 0.005 -7.112 -8.560 1.00 11.21 H new ATOM 0 HD2 PRO A 71 2.697 -7.297 -8.527 1.00 71.40 H new ATOM 0 HD3 PRO A 71 1.931 -5.730 -8.694 1.00 71.40 H new ATOM 1020 N LEU A 72 1.614 -6.405 -3.266 1.00 51.54 N ATOM 1021 CA LEU A 72 1.906 -7.104 -2.004 1.00 50.15 C ATOM 1022 C LEU A 72 0.890 -8.237 -1.753 1.00 41.13 C ATOM 1023 O LEU A 72 -0.293 -7.986 -1.528 1.00 34.53 O ATOM 1024 CB LEU A 72 1.911 -6.087 -0.826 1.00 13.12 C ATOM 1025 CG LEU A 72 2.905 -4.888 -0.967 1.00 24.44 C ATOM 1026 CD1 LEU A 72 2.764 -3.899 0.214 1.00 31.13 C ATOM 1027 CD2 LEU A 72 4.363 -5.383 -1.119 1.00 64.32 C ATOM 0 H LEU A 72 1.359 -5.426 -3.138 1.00 51.54 H new ATOM 0 HA LEU A 72 2.894 -7.559 -2.076 1.00 50.15 H new ATOM 0 HB2 LEU A 72 0.903 -5.688 -0.711 1.00 13.12 H new ATOM 0 HB3 LEU A 72 2.147 -6.624 0.092 1.00 13.12 H new ATOM 0 HG LEU A 72 2.645 -4.349 -1.878 1.00 24.44 H new ATOM 0 HD11 LEU A 72 3.468 -3.077 0.086 1.00 31.13 H new ATOM 0 HD12 LEU A 72 1.748 -3.505 0.240 1.00 31.13 H new ATOM 0 HD13 LEU A 72 2.976 -4.417 1.149 1.00 31.13 H new ATOM 0 HD21 LEU A 72 5.030 -4.526 -1.215 1.00 64.32 H new ATOM 0 HD22 LEU A 72 4.643 -5.965 -0.241 1.00 64.32 H new ATOM 0 HD23 LEU A 72 4.444 -6.007 -2.009 1.00 64.32 H new ATOM 1039 N THR A 73 1.371 -9.487 -1.839 1.00 3.12 N ATOM 1040 CA THR A 73 0.531 -10.678 -1.609 1.00 63.45 C ATOM 1041 C THR A 73 0.233 -10.871 -0.106 1.00 42.32 C ATOM 1042 O THR A 73 -0.769 -11.499 0.260 1.00 21.44 O ATOM 1043 CB THR A 73 1.177 -11.970 -2.218 1.00 61.12 C ATOM 1044 OG1 THR A 73 0.253 -13.079 -2.145 1.00 4.21 O ATOM 1045 CG2 THR A 73 2.501 -12.348 -1.532 1.00 25.22 C ATOM 0 H THR A 73 2.342 -9.702 -2.067 1.00 3.12 H new ATOM 0 HA THR A 73 -0.415 -10.508 -2.123 1.00 63.45 H new ATOM 0 HB THR A 73 1.402 -11.747 -3.261 1.00 61.12 H new ATOM 0 HG1 THR A 73 0.670 -13.878 -2.530 1.00 4.21 H new ATOM 0 HG21 THR A 73 2.905 -13.250 -1.993 1.00 25.22 H new ATOM 0 HG22 THR A 73 3.215 -11.532 -1.644 1.00 25.22 H new ATOM 0 HG23 THR A 73 2.323 -12.531 -0.472 1.00 25.22 H new ATOM 1053 N SER A 74 1.104 -10.310 0.758 1.00 1.42 N ATOM 1054 CA SER A 74 0.977 -10.398 2.223 1.00 71.43 C ATOM 1055 C SER A 74 1.078 -9.005 2.857 1.00 4.23 C ATOM 1056 O SER A 74 1.702 -8.098 2.285 1.00 74.12 O ATOM 1057 CB SER A 74 2.081 -11.326 2.786 1.00 42.32 C ATOM 1058 OG SER A 74 1.991 -12.623 2.218 1.00 61.14 O ATOM 0 H SER A 74 1.921 -9.780 0.454 1.00 1.42 H new ATOM 0 HA SER A 74 -0.000 -10.814 2.469 1.00 71.43 H new ATOM 0 HB2 SER A 74 3.062 -10.900 2.576 1.00 42.32 H new ATOM 0 HB3 SER A 74 1.988 -11.392 3.870 1.00 42.32 H new ATOM 0 HG SER A 74 2.699 -13.191 2.587 1.00 61.14 H new ATOM 1064 N ILE A 75 0.437 -8.840 4.023 1.00 72.14 N ATOM 1065 CA ILE A 75 0.567 -7.631 4.847 1.00 35.12 C ATOM 1066 C ILE A 75 1.904 -7.676 5.619 1.00 3.43 C ATOM 1067 O ILE A 75 2.093 -8.570 6.454 1.00 23.54 O ATOM 1068 CB ILE A 75 -0.627 -7.503 5.867 1.00 61.12 C ATOM 1069 CG1 ILE A 75 -2.001 -7.501 5.127 1.00 13.14 C ATOM 1070 CG2 ILE A 75 -0.481 -6.247 6.761 1.00 4.10 C ATOM 1071 CD1 ILE A 75 -2.221 -6.339 4.166 1.00 53.32 C ATOM 0 H ILE A 75 -0.187 -9.542 4.421 1.00 72.14 H new ATOM 0 HA ILE A 75 0.545 -6.764 4.187 1.00 35.12 H new ATOM 0 HB ILE A 75 -0.593 -8.377 6.518 1.00 61.12 H new ATOM 0 HG12 ILE A 75 -2.097 -8.434 4.571 1.00 13.14 H new ATOM 0 HG13 ILE A 75 -2.796 -7.490 5.872 1.00 13.14 H new ATOM 0 HG21 ILE A 75 -1.323 -6.192 7.452 1.00 4.10 H new ATOM 0 HG22 ILE A 75 0.449 -6.309 7.326 1.00 4.10 H new ATOM 0 HG23 ILE A 75 -0.466 -5.355 6.135 1.00 4.10 H new ATOM 0 HD11 ILE A 75 -3.204 -6.430 3.704 1.00 53.32 H new ATOM 0 HD12 ILE A 75 -2.163 -5.398 4.713 1.00 53.32 H new ATOM 0 HD13 ILE A 75 -1.453 -6.356 3.392 1.00 53.32 H new ATOM 1083 N PRO A 76 2.863 -6.730 5.353 1.00 41.22 N ATOM 1084 CA PRO A 76 4.118 -6.649 6.107 1.00 54.51 C ATOM 1085 C PRO A 76 3.903 -5.926 7.457 1.00 40.12 C ATOM 1086 O PRO A 76 4.030 -4.695 7.531 1.00 3.02 O ATOM 1087 CB PRO A 76 5.080 -5.879 5.152 1.00 64.32 C ATOM 1088 CG PRO A 76 4.232 -5.321 4.028 1.00 72.25 C ATOM 1089 CD PRO A 76 2.781 -5.651 4.339 1.00 32.12 C ATOM 0 HA PRO A 76 4.524 -7.623 6.380 1.00 54.51 H new ATOM 0 HB2 PRO A 76 5.592 -5.077 5.684 1.00 64.32 H new ATOM 0 HB3 PRO A 76 5.850 -6.544 4.761 1.00 64.32 H new ATOM 0 HG2 PRO A 76 4.370 -4.243 3.943 1.00 72.25 H new ATOM 0 HG3 PRO A 76 4.527 -5.756 3.073 1.00 72.25 H new ATOM 0 HD2 PRO A 76 2.249 -4.782 4.725 1.00 32.12 H new ATOM 0 HD3 PRO A 76 2.248 -5.982 3.448 1.00 32.12 H new ATOM 1097 N LYS A 77 3.505 -6.730 8.483 1.00 24.24 N ATOM 1098 CA LYS A 77 3.234 -6.297 9.881 1.00 35.42 C ATOM 1099 C LYS A 77 1.906 -5.515 9.976 1.00 51.45 C ATOM 1100 O LYS A 77 0.922 -5.972 10.569 1.00 11.35 O ATOM 1101 CB LYS A 77 4.402 -5.444 10.475 1.00 45.33 C ATOM 1102 CG LYS A 77 5.785 -6.132 10.473 1.00 41.50 C ATOM 1103 CD LYS A 77 6.918 -5.151 10.852 1.00 3.31 C ATOM 1104 CE LYS A 77 8.304 -5.797 10.799 1.00 33.33 C ATOM 1105 NZ LYS A 77 9.372 -4.810 11.089 1.00 51.10 N ATOM 0 H LYS A 77 3.360 -7.731 8.353 1.00 24.24 H new ATOM 0 HA LYS A 77 3.152 -7.207 10.476 1.00 35.42 H new ATOM 0 HB2 LYS A 77 4.475 -4.514 9.910 1.00 45.33 H new ATOM 0 HB3 LYS A 77 4.149 -5.175 11.501 1.00 45.33 H new ATOM 0 HG2 LYS A 77 5.777 -6.966 11.175 1.00 41.50 H new ATOM 0 HG3 LYS A 77 5.981 -6.549 9.485 1.00 41.50 H new ATOM 0 HD2 LYS A 77 6.894 -4.297 10.175 1.00 3.31 H new ATOM 0 HD3 LYS A 77 6.739 -4.767 11.856 1.00 3.31 H new ATOM 0 HE2 LYS A 77 8.355 -6.613 11.520 1.00 33.33 H new ATOM 0 HE3 LYS A 77 8.467 -6.232 9.813 1.00 33.33 H new ATOM 0 HZ1 LYS A 77 10.299 -5.279 11.045 1.00 51.10 H new ATOM 0 HZ2 LYS A 77 9.338 -4.045 10.386 1.00 51.10 H new ATOM 0 HZ3 LYS A 77 9.229 -4.413 12.040 1.00 51.10 H new ATOM 1119 N GLY A 78 1.925 -4.331 9.377 1.00 32.15 N ATOM 1120 CA GLY A 78 0.838 -3.371 9.428 1.00 30.12 C ATOM 1121 C GLY A 78 1.433 -1.991 9.275 1.00 10.11 C ATOM 1122 O GLY A 78 0.949 -1.169 8.489 1.00 75.45 O ATOM 0 H GLY A 78 2.721 -4.006 8.828 1.00 32.15 H new ATOM 0 HA2 GLY A 78 0.118 -3.567 8.633 1.00 30.12 H new ATOM 0 HA3 GLY A 78 0.300 -3.453 10.373 1.00 30.12 H new ATOM 1126 N GLU A 79 2.531 -1.765 10.030 1.00 43.30 N ATOM 1127 CA GLU A 79 3.397 -0.594 9.869 1.00 33.34 C ATOM 1128 C GLU A 79 4.257 -0.763 8.592 1.00 2.23 C ATOM 1129 O GLU A 79 5.409 -1.199 8.636 1.00 44.12 O ATOM 1130 CB GLU A 79 4.281 -0.364 11.146 1.00 2.32 C ATOM 1131 CG GLU A 79 5.124 -1.584 11.597 1.00 14.03 C ATOM 1132 CD GLU A 79 6.010 -1.317 12.827 1.00 32.20 C ATOM 1133 OE1 GLU A 79 5.457 -1.077 13.926 1.00 20.00 O ATOM 1134 OE2 GLU A 79 7.256 -1.341 12.705 1.00 32.30 O ATOM 0 H GLU A 79 2.836 -2.398 10.770 1.00 43.30 H new ATOM 0 HA GLU A 79 2.780 0.297 9.753 1.00 33.34 H new ATOM 0 HB2 GLU A 79 4.954 0.472 10.956 1.00 2.32 H new ATOM 0 HB3 GLU A 79 3.631 -0.068 11.969 1.00 2.32 H new ATOM 0 HG2 GLU A 79 4.453 -2.413 11.820 1.00 14.03 H new ATOM 0 HG3 GLU A 79 5.757 -1.900 10.768 1.00 14.03 H new ATOM 1141 N TRP A 80 3.652 -0.460 7.439 1.00 44.00 N ATOM 1142 CA TRP A 80 4.319 -0.518 6.144 1.00 4.21 C ATOM 1143 C TRP A 80 4.585 0.917 5.683 1.00 61.42 C ATOM 1144 O TRP A 80 3.659 1.745 5.633 1.00 42.00 O ATOM 1145 CB TRP A 80 3.440 -1.291 5.134 1.00 13.15 C ATOM 1146 CG TRP A 80 3.908 -1.186 3.701 1.00 25.15 C ATOM 1147 CD1 TRP A 80 4.929 -1.873 3.105 1.00 1.41 C ATOM 1148 CD2 TRP A 80 3.371 -0.316 2.700 1.00 44.22 C ATOM 1149 NE1 TRP A 80 5.048 -1.483 1.796 1.00 12.30 N ATOM 1150 CE2 TRP A 80 4.106 -0.527 1.526 1.00 74.14 C ATOM 1151 CE3 TRP A 80 2.339 0.625 2.696 1.00 44.42 C ATOM 1152 CZ2 TRP A 80 3.839 0.164 0.353 1.00 14.34 C ATOM 1153 CZ3 TRP A 80 2.071 1.309 1.532 1.00 21.25 C ATOM 1154 CH2 TRP A 80 2.822 1.076 0.374 1.00 15.04 C ATOM 0 H TRP A 80 2.677 -0.166 7.383 1.00 44.00 H new ATOM 0 HA TRP A 80 5.268 -1.049 6.218 1.00 4.21 H new ATOM 0 HB2 TRP A 80 3.415 -2.342 5.421 1.00 13.15 H new ATOM 0 HB3 TRP A 80 2.418 -0.919 5.199 1.00 13.15 H new ATOM 0 HD1 TRP A 80 5.548 -2.612 3.592 1.00 1.41 H new ATOM 0 HE1 TRP A 80 5.729 -1.847 1.130 1.00 12.30 H new ATOM 0 HE3 TRP A 80 1.762 0.812 3.590 1.00 44.42 H new ATOM 0 HZ2 TRP A 80 4.414 -0.013 -0.544 1.00 14.34 H new ATOM 0 HZ3 TRP A 80 1.271 2.035 1.512 1.00 21.25 H new ATOM 0 HH2 TRP A 80 2.592 1.630 -0.524 1.00 15.04 H new ATOM 1165 N LEU A 81 5.849 1.214 5.382 1.00 3.55 N ATOM 1166 CA LEU A 81 6.269 2.509 4.853 1.00 42.35 C ATOM 1167 C LEU A 81 6.309 2.429 3.321 1.00 20.11 C ATOM 1168 O LEU A 81 6.985 1.556 2.761 1.00 42.10 O ATOM 1169 CB LEU A 81 7.667 2.883 5.420 1.00 10.30 C ATOM 1170 CG LEU A 81 7.785 2.919 6.978 1.00 24.24 C ATOM 1171 CD1 LEU A 81 9.237 3.204 7.422 1.00 51.04 C ATOM 1172 CD2 LEU A 81 6.798 3.934 7.593 1.00 63.42 C ATOM 0 H LEU A 81 6.618 0.554 5.500 1.00 3.55 H new ATOM 0 HA LEU A 81 5.562 3.282 5.154 1.00 42.35 H new ATOM 0 HB2 LEU A 81 8.396 2.169 5.036 1.00 10.30 H new ATOM 0 HB3 LEU A 81 7.945 3.863 5.031 1.00 10.30 H new ATOM 0 HG LEU A 81 7.514 1.932 7.353 1.00 24.24 H new ATOM 0 HD11 LEU A 81 9.287 3.223 8.511 1.00 51.04 H new ATOM 0 HD12 LEU A 81 9.894 2.422 7.042 1.00 51.04 H new ATOM 0 HD13 LEU A 81 9.555 4.169 7.027 1.00 51.04 H new ATOM 0 HD21 LEU A 81 6.905 3.935 8.678 1.00 63.42 H new ATOM 0 HD22 LEU A 81 7.013 4.930 7.207 1.00 63.42 H new ATOM 0 HD23 LEU A 81 5.778 3.655 7.330 1.00 63.42 H new ATOM 1184 N CYS A 82 5.541 3.308 2.662 1.00 63.04 N ATOM 1185 CA CYS A 82 5.611 3.507 1.207 1.00 64.20 C ATOM 1186 C CYS A 82 6.981 4.118 0.816 1.00 40.14 C ATOM 1187 O CYS A 82 7.646 4.708 1.680 1.00 34.23 O ATOM 1188 CB CYS A 82 4.448 4.433 0.766 1.00 33.41 C ATOM 1189 SG CYS A 82 4.466 6.096 1.540 1.00 1.41 S ATOM 0 H CYS A 82 4.852 3.902 3.124 1.00 63.04 H new ATOM 0 HA CYS A 82 5.514 2.547 0.699 1.00 64.20 H new ATOM 0 HB2 CYS A 82 4.484 4.550 -0.317 1.00 33.41 H new ATOM 0 HB3 CYS A 82 3.502 3.946 1.003 1.00 33.41 H new ATOM 0 HG CYS A 82 4.719 5.981 2.810 1.00 1.41 H new ATOM 1194 N PRO A 83 7.437 3.990 -0.473 1.00 5.10 N ATOM 1195 CA PRO A 83 8.723 4.584 -0.924 1.00 42.00 C ATOM 1196 C PRO A 83 8.775 6.118 -0.763 1.00 15.14 C ATOM 1197 O PRO A 83 9.842 6.699 -0.718 1.00 74.24 O ATOM 1198 CB PRO A 83 8.855 4.129 -2.404 1.00 51.22 C ATOM 1199 CG PRO A 83 7.473 3.725 -2.827 1.00 35.33 C ATOM 1200 CD PRO A 83 6.781 3.225 -1.576 1.00 74.41 C ATOM 0 HA PRO A 83 9.560 4.246 -0.313 1.00 42.00 H new ATOM 0 HB2 PRO A 83 9.236 4.936 -3.030 1.00 51.22 H new ATOM 0 HB3 PRO A 83 9.553 3.297 -2.497 1.00 51.22 H new ATOM 0 HG2 PRO A 83 6.935 4.569 -3.259 1.00 35.33 H new ATOM 0 HG3 PRO A 83 7.510 2.947 -3.589 1.00 35.33 H new ATOM 0 HD2 PRO A 83 5.708 3.414 -1.610 1.00 74.41 H new ATOM 0 HD3 PRO A 83 6.912 2.150 -1.450 1.00 74.41 H new ATOM 1208 N ARG A 84 7.595 6.753 -0.625 1.00 72.22 N ATOM 1209 CA ARG A 84 7.473 8.198 -0.335 1.00 74.42 C ATOM 1210 C ARG A 84 8.086 8.549 1.040 1.00 21.12 C ATOM 1211 O ARG A 84 8.690 9.606 1.200 1.00 13.13 O ATOM 1212 CB ARG A 84 5.969 8.593 -0.386 1.00 71.44 C ATOM 1213 CG ARG A 84 5.627 10.052 -0.022 1.00 21.00 C ATOM 1214 CD ARG A 84 4.116 10.338 -0.150 1.00 54.21 C ATOM 1215 NE ARG A 84 3.734 11.654 0.389 1.00 62.12 N ATOM 1216 CZ ARG A 84 2.501 12.185 0.312 1.00 25.22 C ATOM 1217 NH1 ARG A 84 1.504 11.537 -0.299 1.00 62.51 N ATOM 1218 NH2 ARG A 84 2.261 13.366 0.865 1.00 10.12 N ATOM 0 H ARG A 84 6.696 6.278 -0.711 1.00 72.22 H new ATOM 0 HA ARG A 84 8.027 8.762 -1.086 1.00 74.42 H new ATOM 0 HB2 ARG A 84 5.599 8.397 -1.392 1.00 71.44 H new ATOM 0 HB3 ARG A 84 5.421 7.936 0.289 1.00 71.44 H new ATOM 0 HG2 ARG A 84 5.950 10.257 0.999 1.00 21.00 H new ATOM 0 HG3 ARG A 84 6.181 10.728 -0.673 1.00 21.00 H new ATOM 0 HD2 ARG A 84 3.829 10.284 -1.200 1.00 54.21 H new ATOM 0 HD3 ARG A 84 3.559 9.561 0.373 1.00 54.21 H new ATOM 0 HE ARG A 84 4.457 12.203 0.854 1.00 62.12 H new ATOM 0 HH11 ARG A 84 1.671 10.622 -0.718 1.00 62.51 H new ATOM 0 HH12 ARG A 84 0.576 11.957 -0.346 1.00 62.51 H new ATOM 0 HH21 ARG A 84 3.009 13.866 1.345 1.00 10.12 H new ATOM 0 HH22 ARG A 84 1.328 13.775 0.810 1.00 10.12 H new ATOM 1232 N CYS A 85 7.930 7.636 2.012 1.00 31.34 N ATOM 1233 CA CYS A 85 8.381 7.844 3.408 1.00 35.30 C ATOM 1234 C CYS A 85 9.897 7.657 3.551 1.00 73.22 C ATOM 1235 O CYS A 85 10.553 8.343 4.335 1.00 23.31 O ATOM 1236 CB CYS A 85 7.658 6.835 4.315 1.00 4.13 C ATOM 1237 SG CYS A 85 5.859 6.890 4.101 1.00 44.42 S ATOM 0 H CYS A 85 7.488 6.730 1.857 1.00 31.34 H new ATOM 0 HA CYS A 85 8.143 8.868 3.697 1.00 35.30 H new ATOM 0 HB2 CYS A 85 8.018 5.830 4.096 1.00 4.13 H new ATOM 0 HB3 CYS A 85 7.905 7.043 5.356 1.00 4.13 H new ATOM 0 HG CYS A 85 5.315 5.899 4.743 1.00 44.42 H new ATOM 1242 N VAL A 86 10.425 6.683 2.806 1.00 62.51 N ATOM 1243 CA VAL A 86 11.835 6.293 2.897 1.00 1.00 C ATOM 1244 C VAL A 86 12.707 7.219 2.025 1.00 34.32 C ATOM 1245 O VAL A 86 13.804 7.607 2.425 1.00 41.44 O ATOM 1246 CB VAL A 86 12.022 4.796 2.479 1.00 62.11 C ATOM 1247 CG1 VAL A 86 13.479 4.313 2.691 1.00 52.23 C ATOM 1248 CG2 VAL A 86 11.016 3.891 3.233 1.00 55.45 C ATOM 0 H VAL A 86 9.890 6.144 2.125 1.00 62.51 H new ATOM 0 HA VAL A 86 12.156 6.397 3.933 1.00 1.00 H new ATOM 0 HB VAL A 86 11.816 4.724 1.411 1.00 62.11 H new ATOM 0 HG11 VAL A 86 13.564 3.269 2.388 1.00 52.23 H new ATOM 0 HG12 VAL A 86 14.155 4.921 2.090 1.00 52.23 H new ATOM 0 HG13 VAL A 86 13.744 4.408 3.744 1.00 52.23 H new ATOM 0 HG21 VAL A 86 11.161 2.854 2.930 1.00 55.45 H new ATOM 0 HG22 VAL A 86 11.180 3.981 4.307 1.00 55.45 H new ATOM 0 HG23 VAL A 86 9.998 4.200 2.994 1.00 55.45 H new ATOM 1258 N VAL A 87 12.184 7.586 0.831 1.00 30.51 N ATOM 1259 CA VAL A 87 12.909 8.434 -0.146 1.00 5.22 C ATOM 1260 C VAL A 87 12.421 9.908 -0.059 1.00 0.33 C ATOM 1261 O VAL A 87 12.602 10.697 -1.007 1.00 2.24 O ATOM 1262 CB VAL A 87 12.763 7.874 -1.636 1.00 33.13 C ATOM 1263 CG1 VAL A 87 13.869 8.426 -2.569 1.00 24.42 C ATOM 1264 CG2 VAL A 87 12.746 6.323 -1.681 1.00 43.13 C ATOM 0 H VAL A 87 11.254 7.305 0.519 1.00 30.51 H new ATOM 0 HA VAL A 87 13.968 8.404 0.111 1.00 5.22 H new ATOM 0 HB VAL A 87 11.799 8.229 -2.001 1.00 33.13 H new ATOM 0 HG11 VAL A 87 13.734 8.021 -3.572 1.00 24.42 H new ATOM 0 HG12 VAL A 87 13.805 9.514 -2.605 1.00 24.42 H new ATOM 0 HG13 VAL A 87 14.847 8.132 -2.188 1.00 24.42 H new ATOM 0 HG21 VAL A 87 12.645 5.990 -2.714 1.00 43.13 H new ATOM 0 HG22 VAL A 87 13.676 5.937 -1.264 1.00 43.13 H new ATOM 0 HG23 VAL A 87 11.905 5.951 -1.096 1.00 43.13 H new ATOM 1274 N GLU A 88 11.805 10.308 1.078 1.00 2.10 N ATOM 1275 CA GLU A 88 11.484 11.738 1.313 1.00 15.10 C ATOM 1276 C GLU A 88 12.784 12.520 1.575 1.00 3.32 C ATOM 1277 O GLU A 88 13.765 11.949 2.061 1.00 1.44 O ATOM 1278 CB GLU A 88 10.414 11.927 2.432 1.00 15.03 C ATOM 1279 CG GLU A 88 10.788 11.474 3.861 1.00 52.43 C ATOM 1280 CD GLU A 88 11.651 12.482 4.643 1.00 35.30 C ATOM 1281 OE1 GLU A 88 11.194 13.625 4.845 1.00 62.24 O ATOM 1282 OE2 GLU A 88 12.783 12.142 5.053 1.00 22.25 O ATOM 0 H GLU A 88 11.525 9.679 1.831 1.00 2.10 H new ATOM 0 HA GLU A 88 11.023 12.150 0.415 1.00 15.10 H new ATOM 0 HB2 GLU A 88 10.153 12.984 2.472 1.00 15.03 H new ATOM 0 HB3 GLU A 88 9.515 11.388 2.133 1.00 15.03 H new ATOM 0 HG2 GLU A 88 9.872 11.287 4.421 1.00 52.43 H new ATOM 0 HG3 GLU A 88 11.323 10.526 3.800 1.00 52.43 H new ATOM 1289 N GLU A 89 12.778 13.817 1.260 1.00 72.35 N ATOM 1290 CA GLU A 89 14.010 14.641 1.164 1.00 41.41 C ATOM 1291 C GLU A 89 14.457 15.219 2.526 1.00 34.00 C ATOM 1292 O GLU A 89 14.725 16.424 2.633 1.00 15.21 O ATOM 1293 CB GLU A 89 13.741 15.762 0.128 1.00 31.10 C ATOM 1294 CG GLU A 89 13.422 15.246 -1.293 1.00 63.41 C ATOM 1295 CD GLU A 89 12.880 16.345 -2.213 1.00 61.52 C ATOM 1296 OE1 GLU A 89 13.653 17.253 -2.590 1.00 14.02 O ATOM 1297 OE2 GLU A 89 11.669 16.324 -2.539 1.00 53.13 O ATOM 0 H GLU A 89 11.923 14.337 1.062 1.00 72.35 H new ATOM 0 HA GLU A 89 14.839 14.011 0.842 1.00 41.41 H new ATOM 0 HB2 GLU A 89 12.908 16.372 0.477 1.00 31.10 H new ATOM 0 HB3 GLU A 89 14.614 16.413 0.079 1.00 31.10 H new ATOM 0 HG2 GLU A 89 14.325 14.822 -1.733 1.00 63.41 H new ATOM 0 HG3 GLU A 89 12.691 14.440 -1.227 1.00 63.41 H new ATOM 1304 N VAL A 90 14.562 14.324 3.540 1.00 15.21 N ATOM 1305 CA VAL A 90 15.029 14.618 4.914 1.00 34.11 C ATOM 1306 C VAL A 90 14.449 15.951 5.463 1.00 14.14 C ATOM 1307 O VAL A 90 15.163 16.939 5.711 1.00 74.31 O ATOM 1308 CB VAL A 90 16.609 14.483 5.065 1.00 53.23 C ATOM 1309 CG1 VAL A 90 17.415 15.528 4.264 1.00 52.21 C ATOM 1310 CG2 VAL A 90 17.030 14.457 6.548 1.00 75.32 C ATOM 0 H VAL A 90 14.314 13.342 3.416 1.00 15.21 H new ATOM 0 HA VAL A 90 14.620 13.843 5.562 1.00 34.11 H new ATOM 0 HB VAL A 90 16.863 13.523 4.616 1.00 53.23 H new ATOM 0 HG11 VAL A 90 18.481 15.365 4.423 1.00 52.21 H new ATOM 0 HG12 VAL A 90 17.187 15.428 3.203 1.00 52.21 H new ATOM 0 HG13 VAL A 90 17.147 16.530 4.600 1.00 52.21 H new ATOM 0 HG21 VAL A 90 18.114 14.364 6.617 1.00 75.32 H new ATOM 0 HG22 VAL A 90 16.713 15.381 7.032 1.00 75.32 H new ATOM 0 HG23 VAL A 90 16.561 13.608 7.045 1.00 75.32 H new ATOM 1320 N SER A 91 13.106 15.965 5.605 1.00 60.13 N ATOM 1321 CA SER A 91 12.347 17.152 6.051 1.00 23.43 C ATOM 1322 C SER A 91 12.678 17.511 7.513 1.00 45.23 C ATOM 1323 O SER A 91 12.430 18.638 7.961 1.00 2.35 O ATOM 1324 CB SER A 91 10.824 16.914 5.875 1.00 1.12 C ATOM 1325 OG SER A 91 10.373 15.819 6.654 1.00 15.34 O ATOM 0 H SER A 91 12.518 15.154 5.414 1.00 60.13 H new ATOM 0 HA SER A 91 12.643 17.997 5.429 1.00 23.43 H new ATOM 0 HB2 SER A 91 10.279 17.814 6.161 1.00 1.12 H new ATOM 0 HB3 SER A 91 10.603 16.729 4.824 1.00 1.12 H new ATOM 0 HG SER A 91 10.571 14.981 6.186 1.00 15.34 H new ATOM 1331 N LYS A 92 13.250 16.536 8.244 1.00 42.15 N ATOM 1332 CA LYS A 92 13.717 16.692 9.620 1.00 61.11 C ATOM 1333 C LYS A 92 15.031 15.891 9.793 1.00 64.20 C ATOM 1334 O LYS A 92 14.994 14.670 10.003 1.00 73.32 O ATOM 1335 CB LYS A 92 12.618 16.217 10.609 1.00 65.35 C ATOM 1336 CG LYS A 92 12.989 16.337 12.106 1.00 41.12 C ATOM 1337 CD LYS A 92 11.884 15.765 13.026 1.00 74.22 C ATOM 1338 CE LYS A 92 11.584 14.287 12.727 1.00 41.05 C ATOM 1339 NZ LYS A 92 10.469 13.756 13.547 1.00 0.53 N ATOM 0 H LYS A 92 13.401 15.596 7.877 1.00 42.15 H new ATOM 0 HA LYS A 92 13.919 17.741 9.838 1.00 61.11 H new ATOM 0 HB2 LYS A 92 11.712 16.796 10.427 1.00 65.35 H new ATOM 0 HB3 LYS A 92 12.380 15.176 10.391 1.00 65.35 H new ATOM 0 HG2 LYS A 92 13.924 15.808 12.291 1.00 41.12 H new ATOM 0 HG3 LYS A 92 13.161 17.384 12.354 1.00 41.12 H new ATOM 0 HD2 LYS A 92 12.191 15.868 14.067 1.00 74.22 H new ATOM 0 HD3 LYS A 92 10.973 16.351 12.903 1.00 74.22 H new ATOM 0 HE2 LYS A 92 11.339 14.176 11.671 1.00 41.05 H new ATOM 0 HE3 LYS A 92 12.480 13.694 12.910 1.00 41.05 H new ATOM 0 HZ1 LYS A 92 10.307 12.757 13.307 1.00 0.53 H new ATOM 0 HZ2 LYS A 92 10.711 13.835 14.555 1.00 0.53 H new ATOM 0 HZ3 LYS A 92 9.605 14.303 13.354 1.00 0.53 H new ATOM 1353 N PRO A 93 16.224 16.548 9.598 1.00 13.41 N ATOM 1354 CA PRO A 93 17.528 15.934 9.924 1.00 21.50 C ATOM 1355 C PRO A 93 17.704 15.802 11.457 1.00 34.13 C ATOM 1356 O PRO A 93 18.169 16.735 12.120 1.00 53.20 O ATOM 1357 CB PRO A 93 18.573 16.903 9.273 1.00 10.03 C ATOM 1358 CG PRO A 93 17.770 17.798 8.361 1.00 13.34 C ATOM 1359 CD PRO A 93 16.396 17.893 8.990 1.00 32.11 C ATOM 0 HA PRO A 93 17.637 14.918 9.545 1.00 21.50 H new ATOM 0 HB2 PRO A 93 19.098 17.483 10.032 1.00 10.03 H new ATOM 0 HB3 PRO A 93 19.329 16.350 8.716 1.00 10.03 H new ATOM 0 HG2 PRO A 93 18.230 18.782 8.273 1.00 13.34 H new ATOM 0 HG3 PRO A 93 17.713 17.382 7.355 1.00 13.34 H new ATOM 0 HD2 PRO A 93 16.346 18.685 9.737 1.00 32.11 H new ATOM 0 HD3 PRO A 93 15.625 18.105 8.249 1.00 32.11 H new ATOM 1367 N GLN A 94 17.254 14.660 12.006 1.00 35.33 N ATOM 1368 CA GLN A 94 17.316 14.379 13.447 1.00 52.41 C ATOM 1369 C GLN A 94 17.274 12.845 13.660 1.00 22.13 C ATOM 1370 O GLN A 94 18.348 12.223 13.745 1.00 55.34 O ATOM 1371 CB GLN A 94 16.155 15.107 14.204 1.00 70.11 C ATOM 1372 CG GLN A 94 16.155 14.894 15.732 1.00 65.41 C ATOM 1373 CD GLN A 94 14.954 15.529 16.429 1.00 41.25 C ATOM 1374 OE1 GLN A 94 13.904 14.900 16.576 1.00 2.34 O ATOM 1375 NE2 GLN A 94 15.094 16.777 16.861 1.00 41.13 N ATOM 1376 OXT GLN A 94 16.171 12.260 13.690 1.00 37.18 O ATOM 0 H GLN A 94 16.837 13.906 11.460 1.00 35.33 H new ATOM 0 HA GLN A 94 18.249 14.763 13.861 1.00 52.41 H new ATOM 0 HB2 GLN A 94 16.218 16.176 13.999 1.00 70.11 H new ATOM 0 HB3 GLN A 94 15.203 14.761 13.802 1.00 70.11 H new ATOM 0 HG2 GLN A 94 16.166 13.825 15.943 1.00 65.41 H new ATOM 0 HG3 GLN A 94 17.071 15.310 16.150 1.00 65.41 H new ATOM 0 HE21 GLN A 94 15.977 17.268 16.723 1.00 41.13 H new ATOM 0 HE22 GLN A 94 14.318 17.244 17.331 1.00 41.13 H new TER 1385 GLN A 94 HETATM 1386 ZN ZN A 101 -5.833 0.334 -4.765 1.00 32.10 ZN HETATM 1387 ZN ZN A 102 4.227 6.729 3.294 1.00 41.25 ZN