USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.454 K(o=-0.45,f=-3.7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -4.73! K(o=-4.7!,f=-2.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 159:sc= -0.83 (180deg=-2.07!) USER MOD Single : A 31 THR OG1 : rot -29:sc= 0.736 USER MOD Single : A 36 THR OG1 : rot 71:sc= 0.845 USER MOD Single : A 39 MET CE :methyl -176:sc= 0 (180deg=-0.0104) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= -0.439 K(o=-0.44,f=-3.7!) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc= -1.78 X(o=-1.8,f=-1.7) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 31 THR OG1 : rot -27:sc= 0.683 USER MOD Single : B 36 THR OG1 : rot 72:sc= 0.917 USER MOD Single : B 39 MET CE :methyl -176:sc= 0 (180deg=-0.00795) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.210 -7.609 11.682 1.00 11.25 N ATOM 2 CA GLY A 1 19.770 -6.228 11.668 1.00 14.02 C ATOM 3 C GLY A 1 19.822 -5.588 13.042 1.00 75.34 C ATOM 4 O GLY A 1 20.868 -5.576 13.689 1.00 54.04 O ATOM 0 H1 GLY A 1 20.156 -8.000 10.720 1.00 11.25 H new ATOM 0 H2 GLY A 1 21.192 -7.657 12.020 1.00 11.25 H new ATOM 0 H3 GLY A 1 19.598 -8.162 12.316 1.00 11.25 H new ATOM 0 HA2 GLY A 1 20.395 -5.658 10.981 1.00 14.02 H new ATOM 0 HA3 GLY A 1 18.750 -6.179 11.286 1.00 14.02 H new ATOM 8 N SER A 2 18.689 -5.053 13.486 1.00 41.23 N ATOM 9 CA SER A 2 18.611 -4.404 14.790 1.00 62.12 C ATOM 10 C SER A 2 17.370 -4.861 15.551 1.00 34.23 C ATOM 11 O SER A 2 16.456 -5.448 14.972 1.00 74.10 O ATOM 12 CB SER A 2 18.591 -2.883 14.625 1.00 34.41 C ATOM 13 OG SER A 2 18.947 -2.508 13.305 1.00 64.14 O ATOM 0 H SER A 2 17.813 -5.056 12.963 1.00 41.23 H new ATOM 0 HA SER A 2 19.493 -4.689 15.364 1.00 62.12 H new ATOM 0 HB2 SER A 2 17.597 -2.502 14.859 1.00 34.41 H new ATOM 0 HB3 SER A 2 19.282 -2.428 15.335 1.00 34.41 H new ATOM 0 HG SER A 2 18.925 -1.532 13.225 1.00 64.14 H new ATOM 19 N GLN A 3 17.347 -4.586 16.851 1.00 64.11 N ATOM 20 CA GLN A 3 16.219 -4.969 17.692 1.00 25.35 C ATOM 21 C GLN A 3 14.956 -4.218 17.284 1.00 30.11 C ATOM 22 O GLN A 3 13.853 -4.763 17.330 1.00 63.41 O ATOM 23 CB GLN A 3 16.536 -4.696 19.164 1.00 12.24 C ATOM 24 CG GLN A 3 16.185 -5.852 20.086 1.00 43.55 C ATOM 25 CD GLN A 3 17.086 -7.054 19.884 1.00 25.24 C ATOM 26 OE1 GLN A 3 17.722 -7.200 18.839 1.00 75.43 O ATOM 27 NE2 GLN A 3 17.147 -7.923 20.886 1.00 11.53 N ATOM 0 H GLN A 3 18.096 -4.100 17.344 1.00 64.11 H new ATOM 0 HA GLN A 3 16.045 -6.037 17.557 1.00 25.35 H new ATOM 0 HB2 GLN A 3 17.598 -4.473 19.263 1.00 12.24 H new ATOM 0 HB3 GLN A 3 15.992 -3.808 19.485 1.00 12.24 H new ATOM 0 HG2 GLN A 3 16.256 -5.520 21.122 1.00 43.55 H new ATOM 0 HG3 GLN A 3 15.149 -6.146 19.915 1.00 43.55 H new ATOM 0 HE21 GLN A 3 16.603 -7.763 21.734 1.00 11.53 H new ATOM 0 HE22 GLN A 3 17.738 -8.751 20.808 1.00 11.53 H new ATOM 36 N LYS A 4 15.124 -2.962 16.884 1.00 34.01 N ATOM 37 CA LYS A 4 13.998 -2.134 16.466 1.00 71.41 C ATOM 38 C LYS A 4 13.461 -2.589 15.113 1.00 4.12 C ATOM 39 O LYS A 4 12.264 -2.479 14.841 1.00 62.12 O ATOM 40 CB LYS A 4 14.420 -0.664 16.391 1.00 53.43 C ATOM 41 CG LYS A 4 14.401 0.043 17.735 1.00 71.34 C ATOM 42 CD LYS A 4 13.743 1.409 17.637 1.00 70.40 C ATOM 43 CE LYS A 4 14.335 2.386 18.641 1.00 3.43 C ATOM 44 NZ LYS A 4 14.176 3.799 18.199 1.00 50.43 N1+ ATOM 0 H LYS A 4 16.030 -2.495 16.840 1.00 34.01 H new ATOM 0 HA LYS A 4 13.205 -2.241 17.206 1.00 71.41 H new ATOM 0 HB2 LYS A 4 15.425 -0.604 15.972 1.00 53.43 H new ATOM 0 HB3 LYS A 4 13.756 -0.139 15.704 1.00 53.43 H new ATOM 0 HG2 LYS A 4 13.866 -0.569 18.461 1.00 71.34 H new ATOM 0 HG3 LYS A 4 15.421 0.155 18.103 1.00 71.34 H new ATOM 0 HD2 LYS A 4 13.867 1.802 16.628 1.00 70.40 H new ATOM 0 HD3 LYS A 4 12.671 1.311 17.811 1.00 70.40 H new ATOM 0 HE2 LYS A 4 13.851 2.251 19.608 1.00 3.43 H new ATOM 0 HE3 LYS A 4 15.393 2.166 18.781 1.00 3.43 H new ATOM 0 HZ1 LYS A 4 14.592 4.434 18.910 1.00 50.43 H new ATOM 0 HZ2 LYS A 4 14.660 3.934 17.288 1.00 50.43 H new ATOM 0 HZ3 LYS A 4 13.165 4.017 18.090 1.00 50.43 H new ATOM 58 N LEU A 5 14.350 -3.103 14.271 1.00 55.13 N ATOM 59 CA LEU A 5 13.963 -3.577 12.947 1.00 10.52 C ATOM 60 C LEU A 5 12.984 -4.742 13.049 1.00 65.40 C ATOM 61 O LEU A 5 11.909 -4.718 12.451 1.00 20.14 O ATOM 62 CB LEU A 5 15.201 -4.004 12.156 1.00 12.44 C ATOM 63 CG LEU A 5 15.458 -3.249 10.851 1.00 23.50 C ATOM 64 CD1 LEU A 5 14.327 -3.490 9.864 1.00 23.30 C ATOM 65 CD2 LEU A 5 15.625 -1.761 11.120 1.00 0.21 C ATOM 0 H LEU A 5 15.343 -3.202 14.481 1.00 55.13 H new ATOM 0 HA LEU A 5 13.469 -2.758 12.425 1.00 10.52 H new ATOM 0 HB2 LEU A 5 16.075 -3.888 12.797 1.00 12.44 H new ATOM 0 HB3 LEU A 5 15.112 -5.066 11.926 1.00 12.44 H new ATOM 0 HG LEU A 5 16.382 -3.625 10.412 1.00 23.50 H new ATOM 0 HD11 LEU A 5 14.527 -2.945 8.941 1.00 23.30 H new ATOM 0 HD12 LEU A 5 14.254 -4.556 9.647 1.00 23.30 H new ATOM 0 HD13 LEU A 5 13.388 -3.142 10.295 1.00 23.30 H new ATOM 0 HD21 LEU A 5 15.807 -1.240 10.180 1.00 0.21 H new ATOM 0 HD22 LEU A 5 14.718 -1.371 11.582 1.00 0.21 H new ATOM 0 HD23 LEU A 5 16.470 -1.605 11.791 1.00 0.21 H new ATOM 77 N VAL A 6 13.363 -5.761 13.814 1.00 34.42 N ATOM 78 CA VAL A 6 12.517 -6.935 13.998 1.00 12.01 C ATOM 79 C VAL A 6 11.206 -6.564 14.680 1.00 52.44 C ATOM 80 O VAL A 6 10.166 -7.173 14.423 1.00 23.24 O ATOM 81 CB VAL A 6 13.230 -8.015 14.832 1.00 34.54 C ATOM 82 CG1 VAL A 6 14.419 -8.581 14.071 1.00 2.52 C ATOM 83 CG2 VAL A 6 13.669 -7.449 16.174 1.00 33.41 C ATOM 0 H VAL A 6 14.250 -5.797 14.316 1.00 34.42 H new ATOM 0 HA VAL A 6 12.307 -7.334 13.006 1.00 12.01 H new ATOM 0 HB VAL A 6 12.527 -8.827 15.017 1.00 34.54 H new ATOM 0 HG11 VAL A 6 14.910 -9.343 14.677 1.00 2.52 H new ATOM 0 HG12 VAL A 6 14.075 -9.026 13.137 1.00 2.52 H new ATOM 0 HG13 VAL A 6 15.126 -7.780 13.852 1.00 2.52 H new ATOM 0 HG21 VAL A 6 14.171 -8.226 16.750 1.00 33.41 H new ATOM 0 HG22 VAL A 6 14.355 -6.618 16.011 1.00 33.41 H new ATOM 0 HG23 VAL A 6 12.796 -7.097 16.724 1.00 33.41 H new ATOM 93 N PHE A 7 11.261 -5.563 15.553 1.00 61.44 N ATOM 94 CA PHE A 7 10.077 -5.111 16.273 1.00 32.21 C ATOM 95 C PHE A 7 8.979 -4.682 15.304 1.00 61.02 C ATOM 96 O PHE A 7 7.799 -4.954 15.523 1.00 45.44 O ATOM 97 CB PHE A 7 10.433 -3.951 17.205 1.00 73.41 C ATOM 98 CG PHE A 7 9.342 -3.609 18.180 1.00 71.22 C ATOM 99 CD1 PHE A 7 8.928 -4.532 19.128 1.00 4.31 C ATOM 100 CD2 PHE A 7 8.732 -2.365 18.150 1.00 62.31 C ATOM 101 CE1 PHE A 7 7.924 -4.220 20.025 1.00 31.22 C ATOM 102 CE2 PHE A 7 7.728 -2.048 19.046 1.00 73.50 C ATOM 103 CZ PHE A 7 7.325 -2.975 19.985 1.00 75.42 C ATOM 0 H PHE A 7 12.113 -5.050 15.778 1.00 61.44 H new ATOM 0 HA PHE A 7 9.705 -5.945 16.868 1.00 32.21 H new ATOM 0 HB2 PHE A 7 11.337 -4.204 17.758 1.00 73.41 H new ATOM 0 HB3 PHE A 7 10.662 -3.070 16.605 1.00 73.41 H new ATOM 0 HD1 PHE A 7 9.395 -5.505 19.166 1.00 4.31 H new ATOM 0 HD2 PHE A 7 9.045 -1.635 17.418 1.00 62.31 H new ATOM 0 HE1 PHE A 7 7.608 -4.949 20.757 1.00 31.22 H new ATOM 0 HE2 PHE A 7 7.260 -1.076 19.011 1.00 73.50 H new ATOM 0 HZ PHE A 7 6.543 -2.728 20.688 1.00 75.42 H new ATOM 113 N PHE A 8 9.379 -4.008 14.230 1.00 13.13 N ATOM 114 CA PHE A 8 8.431 -3.539 13.225 1.00 30.33 C ATOM 115 C PHE A 8 7.957 -4.692 12.345 1.00 54.30 C ATOM 116 O PHE A 8 6.832 -4.683 11.847 1.00 44.05 O ATOM 117 CB PHE A 8 9.069 -2.450 12.361 1.00 30.20 C ATOM 118 CG PHE A 8 8.943 -1.071 12.944 1.00 54.04 C ATOM 119 CD1 PHE A 8 9.382 -0.806 14.231 1.00 52.31 C ATOM 120 CD2 PHE A 8 8.387 -0.040 12.204 1.00 24.35 C ATOM 121 CE1 PHE A 8 9.268 0.461 14.771 1.00 55.13 C ATOM 122 CE2 PHE A 8 8.272 1.230 12.738 1.00 75.13 C ATOM 123 CZ PHE A 8 8.711 1.480 14.023 1.00 21.42 C ATOM 0 H PHE A 8 10.352 -3.775 14.033 1.00 13.13 H new ATOM 0 HA PHE A 8 7.567 -3.122 13.742 1.00 30.33 H new ATOM 0 HB2 PHE A 8 10.125 -2.681 12.220 1.00 30.20 H new ATOM 0 HB3 PHE A 8 8.606 -2.462 11.374 1.00 30.20 H new ATOM 0 HD1 PHE A 8 9.819 -1.599 14.820 1.00 52.31 H new ATOM 0 HD2 PHE A 8 8.040 -0.231 11.199 1.00 24.35 H new ATOM 0 HE1 PHE A 8 9.614 0.654 15.776 1.00 55.13 H new ATOM 0 HE2 PHE A 8 7.839 2.026 12.150 1.00 75.13 H new ATOM 0 HZ PHE A 8 8.619 2.471 14.443 1.00 21.42 H new ATOM 133 N ALA A 9 8.824 -5.680 12.157 1.00 21.40 N ATOM 134 CA ALA A 9 8.495 -6.841 11.339 1.00 62.33 C ATOM 135 C ALA A 9 7.167 -7.456 11.768 1.00 0.01 C ATOM 136 O ALA A 9 6.415 -7.969 10.940 1.00 3.14 O ATOM 137 CB ALA A 9 9.608 -7.875 11.415 1.00 22.01 C ATOM 0 H ALA A 9 9.761 -5.700 12.560 1.00 21.40 H new ATOM 0 HA ALA A 9 8.395 -6.509 10.306 1.00 62.33 H new ATOM 0 HB1 ALA A 9 9.348 -8.736 10.799 1.00 22.01 H new ATOM 0 HB2 ALA A 9 10.537 -7.437 11.052 1.00 22.01 H new ATOM 0 HB3 ALA A 9 9.738 -8.195 12.449 1.00 22.01 H new ATOM 143 N GLU A 10 6.887 -7.401 13.066 1.00 15.33 N ATOM 144 CA GLU A 10 5.650 -7.956 13.603 1.00 73.03 C ATOM 145 C GLU A 10 4.498 -6.966 13.450 1.00 31.35 C ATOM 146 O GLU A 10 3.371 -7.353 13.144 1.00 53.40 O ATOM 147 CB GLU A 10 5.829 -8.323 15.078 1.00 4.11 C ATOM 148 CG GLU A 10 5.458 -7.201 16.034 1.00 14.13 C ATOM 149 CD GLU A 10 5.843 -7.507 17.468 1.00 72.25 C ATOM 150 OE1 GLU A 10 6.394 -8.600 17.714 1.00 34.34 O ATOM 151 OE2 GLU A 10 5.591 -6.655 18.345 1.00 53.30 O1- ATOM 0 H GLU A 10 7.499 -6.979 13.764 1.00 15.33 H new ATOM 0 HA GLU A 10 5.410 -8.857 13.038 1.00 73.03 H new ATOM 0 HB2 GLU A 10 5.218 -9.197 15.303 1.00 4.11 H new ATOM 0 HB3 GLU A 10 6.867 -8.607 15.250 1.00 4.11 H new ATOM 0 HG2 GLU A 10 5.950 -6.281 15.718 1.00 14.13 H new ATOM 0 HG3 GLU A 10 4.384 -7.023 15.980 1.00 14.13 H new ATOM 158 N ASP A 11 4.791 -5.689 13.667 1.00 31.13 N ATOM 159 CA ASP A 11 3.782 -4.643 13.553 1.00 4.32 C ATOM 160 C ASP A 11 3.040 -4.747 12.224 1.00 44.41 C ATOM 161 O ASP A 11 1.809 -4.764 12.187 1.00 63.24 O ATOM 162 CB ASP A 11 4.428 -3.263 13.684 1.00 22.41 C ATOM 163 CG ASP A 11 4.237 -2.663 15.063 1.00 42.04 C ATOM 164 OD1 ASP A 11 3.109 -2.739 15.591 1.00 31.23 O1- ATOM 165 OD2 ASP A 11 5.217 -2.117 15.614 1.00 35.13 O ATOM 0 H ASP A 11 5.719 -5.353 13.923 1.00 31.13 H new ATOM 0 HA ASP A 11 3.064 -4.776 14.362 1.00 4.32 H new ATOM 0 HB2 ASP A 11 5.494 -3.342 13.470 1.00 22.41 H new ATOM 0 HB3 ASP A 11 4.002 -2.593 12.937 1.00 22.41 H new ATOM 170 N VAL A 12 3.797 -4.812 11.134 1.00 72.41 N ATOM 171 CA VAL A 12 3.212 -4.914 9.802 1.00 13.34 C ATOM 172 C VAL A 12 3.087 -6.369 9.366 1.00 74.41 C ATOM 173 O VAL A 12 2.142 -6.741 8.673 1.00 11.12 O ATOM 174 CB VAL A 12 4.049 -4.147 8.760 1.00 54.10 C ATOM 175 CG1 VAL A 12 4.090 -2.663 9.096 1.00 70.11 C ATOM 176 CG2 VAL A 12 5.455 -4.722 8.680 1.00 40.34 C ATOM 0 H VAL A 12 4.817 -4.796 11.147 1.00 72.41 H new ATOM 0 HA VAL A 12 2.219 -4.468 9.858 1.00 13.34 H new ATOM 0 HB VAL A 12 3.577 -4.262 7.784 1.00 54.10 H new ATOM 0 HG11 VAL A 12 4.685 -2.137 8.350 1.00 70.11 H new ATOM 0 HG12 VAL A 12 3.076 -2.263 9.099 1.00 70.11 H new ATOM 0 HG13 VAL A 12 4.538 -2.525 10.080 1.00 70.11 H new ATOM 0 HG21 VAL A 12 6.033 -4.169 7.939 1.00 40.34 H new ATOM 0 HG22 VAL A 12 5.938 -4.638 9.653 1.00 40.34 H new ATOM 0 HG23 VAL A 12 5.403 -5.771 8.390 1.00 40.34 H new ATOM 186 N GLY A 13 4.050 -7.189 9.776 1.00 32.11 N ATOM 187 CA GLY A 13 4.030 -8.595 9.418 1.00 10.34 C ATOM 188 C GLY A 13 4.820 -8.884 8.157 1.00 31.51 C ATOM 189 O GLY A 13 5.451 -9.934 8.039 1.00 53.01 O ATOM 0 H GLY A 13 4.844 -6.904 10.350 1.00 32.11 H new ATOM 0 HA2 GLY A 13 4.438 -9.182 10.241 1.00 10.34 H new ATOM 0 HA3 GLY A 13 2.998 -8.916 9.278 1.00 10.34 H new ATOM 193 N SER A 14 4.785 -7.950 7.213 1.00 64.01 N ATOM 194 CA SER A 14 5.500 -8.112 5.952 1.00 72.24 C ATOM 195 C SER A 14 6.996 -8.292 6.193 1.00 14.33 C ATOM 196 O SER A 14 7.710 -8.835 5.353 1.00 12.44 O ATOM 197 CB SER A 14 5.260 -6.902 5.046 1.00 33.22 C ATOM 198 OG SER A 14 5.267 -7.279 3.680 1.00 4.23 O ATOM 0 H SER A 14 4.270 -7.074 7.297 1.00 64.01 H new ATOM 0 HA SER A 14 5.119 -9.007 5.460 1.00 72.24 H new ATOM 0 HB2 SER A 14 4.304 -6.441 5.295 1.00 33.22 H new ATOM 0 HB3 SER A 14 6.031 -6.152 5.224 1.00 33.22 H new ATOM 0 HG SER A 14 5.110 -6.489 3.122 1.00 4.23 H new ATOM 204 N ASN A 15 7.461 -7.831 7.349 1.00 13.04 N ATOM 205 CA ASN A 15 8.872 -7.940 7.704 1.00 44.44 C ATOM 206 C ASN A 15 9.738 -7.136 6.740 1.00 23.11 C ATOM 207 O ASN A 15 9.949 -7.535 5.594 1.00 15.45 O ATOM 208 CB ASN A 15 9.308 -9.407 7.698 1.00 40.44 C ATOM 209 CG ASN A 15 8.214 -10.338 8.180 1.00 52.54 C ATOM 210 OD1 ASN A 15 7.698 -11.156 7.419 1.00 71.43 O ATOM 211 ND2 ASN A 15 7.852 -10.217 9.453 1.00 61.13 N ATOM 0 H ASN A 15 6.882 -7.378 8.056 1.00 13.04 H new ATOM 0 HA ASN A 15 9.002 -7.533 8.707 1.00 44.44 H new ATOM 0 HB2 ASN A 15 9.604 -9.691 6.688 1.00 40.44 H new ATOM 0 HB3 ASN A 15 10.187 -9.524 8.332 1.00 40.44 H new ATOM 0 HD21 ASN A 15 7.120 -10.816 9.834 1.00 61.13 H new ATOM 0 HD22 ASN A 15 8.307 -9.525 10.049 1.00 61.13 H new ATOM 218 N LYS A 16 10.239 -5.999 7.212 1.00 61.12 N ATOM 219 CA LYS A 16 11.085 -5.137 6.393 1.00 50.41 C ATOM 220 C LYS A 16 12.545 -5.572 6.476 1.00 20.34 C ATOM 221 O LYS A 16 13.271 -5.533 5.484 1.00 44.32 O ATOM 222 CB LYS A 16 10.948 -3.680 6.841 1.00 21.41 C ATOM 223 CG LYS A 16 10.076 -2.841 5.923 1.00 24.12 C ATOM 224 CD LYS A 16 8.734 -2.527 6.563 1.00 0.21 C ATOM 225 CE LYS A 16 7.690 -2.163 5.519 1.00 50.40 C ATOM 226 NZ LYS A 16 7.875 -0.775 5.012 1.00 35.21 N1+ ATOM 0 H LYS A 16 10.074 -5.653 8.157 1.00 61.12 H new ATOM 0 HA LYS A 16 10.757 -5.224 5.357 1.00 50.41 H new ATOM 0 HB2 LYS A 16 10.530 -3.656 7.847 1.00 21.41 H new ATOM 0 HB3 LYS A 16 11.940 -3.231 6.897 1.00 21.41 H new ATOM 0 HG2 LYS A 16 10.591 -1.911 5.680 1.00 24.12 H new ATOM 0 HG3 LYS A 16 9.917 -3.372 4.985 1.00 24.12 H new ATOM 0 HD2 LYS A 16 8.392 -3.389 7.136 1.00 0.21 H new ATOM 0 HD3 LYS A 16 8.849 -1.703 7.267 1.00 0.21 H new ATOM 0 HE2 LYS A 16 7.748 -2.865 4.687 1.00 50.40 H new ATOM 0 HE3 LYS A 16 6.694 -2.262 5.951 1.00 50.40 H new ATOM 0 HZ1 LYS A 16 7.144 -0.564 4.302 1.00 35.21 H new ATOM 0 HZ2 LYS A 16 7.794 -0.103 5.802 1.00 35.21 H new ATOM 0 HZ3 LYS A 16 8.816 -0.687 4.577 1.00 35.21 H new ATOM 240 N GLY A 17 12.968 -5.986 7.666 1.00 3.15 N ATOM 241 CA GLY A 17 14.339 -6.422 7.856 1.00 12.24 C ATOM 242 C GLY A 17 14.658 -7.685 7.081 1.00 32.33 C ATOM 243 O GLY A 17 15.779 -7.864 6.606 1.00 73.32 O ATOM 0 H GLY A 17 12.386 -6.027 8.502 1.00 3.15 H new ATOM 0 HA2 GLY A 17 15.016 -5.627 7.544 1.00 12.24 H new ATOM 0 HA3 GLY A 17 14.518 -6.595 8.917 1.00 12.24 H new ATOM 247 N ALA A 18 13.669 -8.564 6.954 1.00 53.03 N ATOM 248 CA ALA A 18 13.851 -9.817 6.230 1.00 61.03 C ATOM 249 C ALA A 18 14.062 -9.566 4.741 1.00 74.44 C ATOM 250 O ALA A 18 15.040 -10.032 4.156 1.00 34.51 O ATOM 251 CB ALA A 18 12.652 -10.730 6.448 1.00 63.03 C ATOM 0 H ALA A 18 12.735 -8.432 7.342 1.00 53.03 H new ATOM 0 HA ALA A 18 14.744 -10.306 6.619 1.00 61.03 H new ATOM 0 HB1 ALA A 18 12.800 -11.662 5.902 1.00 63.03 H new ATOM 0 HB2 ALA A 18 12.547 -10.945 7.511 1.00 63.03 H new ATOM 0 HB3 ALA A 18 11.749 -10.238 6.087 1.00 63.03 H new ATOM 257 N ILE A 19 13.139 -8.828 4.133 1.00 42.43 N ATOM 258 CA ILE A 19 13.226 -8.514 2.712 1.00 61.23 C ATOM 259 C ILE A 19 14.547 -7.828 2.381 1.00 4.34 C ATOM 260 O ILE A 19 15.301 -8.291 1.523 1.00 31.10 O ATOM 261 CB ILE A 19 12.064 -7.611 2.263 1.00 5.04 C ATOM 262 CG1 ILE A 19 10.721 -8.286 2.553 1.00 33.14 C ATOM 263 CG2 ILE A 19 12.188 -7.284 0.782 1.00 12.50 C ATOM 264 CD1 ILE A 19 10.506 -9.563 1.770 1.00 34.32 C ATOM 0 H ILE A 19 12.322 -8.436 4.602 1.00 42.43 H new ATOM 0 HA ILE A 19 13.167 -9.461 2.175 1.00 61.23 H new ATOM 0 HB ILE A 19 12.111 -6.679 2.827 1.00 5.04 H new ATOM 0 HG12 ILE A 19 10.657 -8.507 3.618 1.00 33.14 H new ATOM 0 HG13 ILE A 19 9.916 -7.588 2.323 1.00 33.14 H new ATOM 0 HG21 ILE A 19 11.359 -6.645 0.480 1.00 12.50 H new ATOM 0 HG22 ILE A 19 13.130 -6.766 0.601 1.00 12.50 H new ATOM 0 HG23 ILE A 19 12.164 -8.207 0.202 1.00 12.50 H new ATOM 0 HD11 ILE A 19 9.535 -9.987 2.025 1.00 34.32 H new ATOM 0 HD12 ILE A 19 10.538 -9.345 0.703 1.00 34.32 H new ATOM 0 HD13 ILE A 19 11.291 -10.278 2.018 1.00 34.32 H new ATOM 276 N ILE A 20 14.821 -6.723 3.066 1.00 30.40 N ATOM 277 CA ILE A 20 16.052 -5.974 2.846 1.00 44.42 C ATOM 278 C ILE A 20 17.278 -6.848 3.089 1.00 63.42 C ATOM 279 O ILE A 20 18.165 -6.943 2.241 1.00 73.05 O ATOM 280 CB ILE A 20 16.129 -4.736 3.758 1.00 2.11 C ATOM 281 CG1 ILE A 20 14.948 -3.803 3.489 1.00 52.20 C ATOM 282 CG2 ILE A 20 17.447 -4.005 3.550 1.00 31.43 C ATOM 283 CD1 ILE A 20 14.913 -3.265 2.074 1.00 64.21 C ATOM 0 H ILE A 20 14.207 -6.327 3.778 1.00 30.40 H new ATOM 0 HA ILE A 20 16.041 -5.648 1.806 1.00 44.42 H new ATOM 0 HB ILE A 20 16.079 -5.065 4.796 1.00 2.11 H new ATOM 0 HG12 ILE A 20 14.020 -4.338 3.689 1.00 52.20 H new ATOM 0 HG13 ILE A 20 14.990 -2.966 4.186 1.00 52.20 H new ATOM 0 HG21 ILE A 20 17.486 -3.132 4.202 1.00 31.43 H new ATOM 0 HG22 ILE A 20 18.275 -4.673 3.788 1.00 31.43 H new ATOM 0 HG23 ILE A 20 17.526 -3.685 2.511 1.00 31.43 H new ATOM 0 HD11 ILE A 20 14.049 -2.611 1.955 1.00 64.21 H new ATOM 0 HD12 ILE A 20 15.825 -2.702 1.876 1.00 64.21 H new ATOM 0 HD13 ILE A 20 14.839 -4.095 1.371 1.00 64.21 H new ATOM 295 N GLY A 21 17.321 -7.488 4.253 1.00 22.54 N ATOM 296 CA GLY A 21 18.441 -8.348 4.587 1.00 44.04 C ATOM 297 C GLY A 21 18.704 -9.396 3.525 1.00 53.33 C ATOM 298 O GLY A 21 19.843 -9.823 3.332 1.00 64.43 O ATOM 0 H GLY A 21 16.600 -7.426 4.971 1.00 22.54 H new ATOM 0 HA2 GLY A 21 19.335 -7.739 4.721 1.00 44.04 H new ATOM 0 HA3 GLY A 21 18.245 -8.841 5.539 1.00 44.04 H new ATOM 302 N LEU A 22 17.650 -9.813 2.832 1.00 15.25 N ATOM 303 CA LEU A 22 17.772 -10.819 1.784 1.00 52.43 C ATOM 304 C LEU A 22 18.430 -10.232 0.539 1.00 55.44 C ATOM 305 O LEU A 22 19.436 -10.749 0.054 1.00 50.40 O ATOM 306 CB LEU A 22 16.395 -11.383 1.428 1.00 21.11 C ATOM 307 CG LEU A 22 16.103 -12.801 1.920 1.00 70.30 C ATOM 308 CD1 LEU A 22 14.606 -13.008 2.094 1.00 35.13 C ATOM 309 CD2 LEU A 22 16.678 -13.829 0.957 1.00 11.34 C ATOM 0 H LEU A 22 16.701 -9.469 2.978 1.00 15.25 H new ATOM 0 HA LEU A 22 18.402 -11.625 2.160 1.00 52.43 H new ATOM 0 HB2 LEU A 22 15.635 -10.715 1.834 1.00 21.11 H new ATOM 0 HB3 LEU A 22 16.287 -11.367 0.343 1.00 21.11 H new ATOM 0 HG LEU A 22 16.582 -12.934 2.890 1.00 70.30 H new ATOM 0 HD11 LEU A 22 14.417 -14.023 2.445 1.00 35.13 H new ATOM 0 HD12 LEU A 22 14.222 -12.295 2.824 1.00 35.13 H new ATOM 0 HD13 LEU A 22 14.104 -12.855 1.139 1.00 35.13 H new ATOM 0 HD21 LEU A 22 16.461 -14.832 1.323 1.00 11.34 H new ATOM 0 HD22 LEU A 22 16.229 -13.697 -0.027 1.00 11.34 H new ATOM 0 HD23 LEU A 22 17.757 -13.695 0.884 1.00 11.34 H new ATOM 321 N MET A 23 17.856 -9.147 0.029 1.00 71.42 N ATOM 322 CA MET A 23 18.390 -8.487 -1.158 1.00 34.30 C ATOM 323 C MET A 23 19.811 -7.992 -0.911 1.00 73.54 C ATOM 324 O MET A 23 20.679 -8.108 -1.777 1.00 1.21 O ATOM 325 CB MET A 23 17.492 -7.316 -1.563 1.00 74.21 C ATOM 326 CG MET A 23 17.240 -6.326 -0.438 1.00 4.22 C ATOM 327 SD MET A 23 16.135 -4.987 -0.925 1.00 2.32 S ATOM 328 CE MET A 23 17.262 -3.932 -1.834 1.00 22.53 C ATOM 0 H MET A 23 17.022 -8.706 0.418 1.00 71.42 H new ATOM 0 HA MET A 23 18.414 -9.215 -1.969 1.00 34.30 H new ATOM 0 HB2 MET A 23 17.949 -6.791 -2.402 1.00 74.21 H new ATOM 0 HB3 MET A 23 16.536 -7.706 -1.914 1.00 74.21 H new ATOM 0 HG2 MET A 23 16.812 -6.853 0.415 1.00 4.22 H new ATOM 0 HG3 MET A 23 18.191 -5.906 -0.109 1.00 4.22 H new ATOM 0 HE1 MET A 23 16.695 -3.281 -2.499 1.00 22.53 H new ATOM 0 HE2 MET A 23 17.836 -3.324 -1.134 1.00 22.53 H new ATOM 0 HE3 MET A 23 17.942 -4.548 -2.422 1.00 22.53 H new ATOM 338 N VAL A 24 20.043 -7.439 0.276 1.00 51.45 N ATOM 339 CA VAL A 24 21.361 -6.928 0.636 1.00 14.03 C ATOM 340 C VAL A 24 22.388 -8.052 0.699 1.00 22.43 C ATOM 341 O VAL A 24 23.445 -7.977 0.074 1.00 71.34 O ATOM 342 CB VAL A 24 21.327 -6.199 1.992 1.00 53.33 C ATOM 343 CG1 VAL A 24 22.717 -5.708 2.369 1.00 61.54 C ATOM 344 CG2 VAL A 24 20.337 -5.046 1.953 1.00 2.15 C ATOM 0 H VAL A 24 19.336 -7.334 1.004 1.00 51.45 H new ATOM 0 HA VAL A 24 21.651 -6.221 -0.141 1.00 14.03 H new ATOM 0 HB VAL A 24 20.997 -6.904 2.755 1.00 53.33 H new ATOM 0 HG11 VAL A 24 22.674 -5.195 3.330 1.00 61.54 H new ATOM 0 HG12 VAL A 24 23.396 -6.558 2.441 1.00 61.54 H new ATOM 0 HG13 VAL A 24 23.079 -5.019 1.606 1.00 61.54 H new ATOM 0 HG21 VAL A 24 20.327 -4.543 2.920 1.00 2.15 H new ATOM 0 HG22 VAL A 24 20.633 -4.338 1.179 1.00 2.15 H new ATOM 0 HG23 VAL A 24 19.341 -5.429 1.733 1.00 2.15 H new ATOM 354 N GLY A 25 22.070 -9.095 1.461 1.00 44.21 N ATOM 355 CA GLY A 25 22.977 -10.220 1.593 1.00 65.53 C ATOM 356 C GLY A 25 23.280 -10.879 0.262 1.00 70.22 C ATOM 357 O GLY A 25 24.435 -11.167 -0.048 1.00 53.54 O ATOM 0 H GLY A 25 21.201 -9.180 1.989 1.00 44.21 H new ATOM 0 HA2 GLY A 25 23.908 -9.881 2.047 1.00 65.53 H new ATOM 0 HA3 GLY A 25 22.542 -10.956 2.269 1.00 65.53 H new ATOM 361 N GLY A 26 22.238 -11.122 -0.529 1.00 54.21 N ATOM 362 CA GLY A 26 22.420 -11.751 -1.824 1.00 74.34 C ATOM 363 C GLY A 26 23.386 -10.988 -2.709 1.00 71.24 C ATOM 364 O GLY A 26 24.272 -11.579 -3.326 1.00 23.22 O ATOM 0 H GLY A 26 21.272 -10.894 -0.295 1.00 54.21 H new ATOM 0 HA2 GLY A 26 22.787 -12.767 -1.682 1.00 74.34 H new ATOM 0 HA3 GLY A 26 21.455 -11.828 -2.326 1.00 74.34 H new ATOM 368 N VAL A 27 23.216 -9.672 -2.771 1.00 63.41 N ATOM 369 CA VAL A 27 24.080 -8.826 -3.588 1.00 52.04 C ATOM 370 C VAL A 27 25.516 -8.855 -3.078 1.00 11.22 C ATOM 371 O VAL A 27 26.465 -8.798 -3.861 1.00 74.34 O ATOM 372 CB VAL A 27 23.582 -7.369 -3.607 1.00 40.03 C ATOM 373 CG1 VAL A 27 24.513 -6.498 -4.438 1.00 65.31 C ATOM 374 CG2 VAL A 27 22.158 -7.299 -4.139 1.00 61.31 C ATOM 0 H VAL A 27 22.488 -9.167 -2.265 1.00 63.41 H new ATOM 0 HA VAL A 27 24.049 -9.225 -4.602 1.00 52.04 H new ATOM 0 HB VAL A 27 23.583 -6.990 -2.585 1.00 40.03 H new ATOM 0 HG11 VAL A 27 24.146 -5.472 -4.440 1.00 65.31 H new ATOM 0 HG12 VAL A 27 25.515 -6.524 -4.009 1.00 65.31 H new ATOM 0 HG13 VAL A 27 24.546 -6.874 -5.461 1.00 65.31 H new ATOM 0 HG21 VAL A 27 21.823 -6.262 -4.145 1.00 61.31 H new ATOM 0 HG22 VAL A 27 22.129 -7.696 -5.154 1.00 61.31 H new ATOM 0 HG23 VAL A 27 21.501 -7.889 -3.500 1.00 61.31 H new ATOM 384 N VAL A 28 25.670 -8.943 -1.761 1.00 74.11 N ATOM 385 CA VAL A 28 26.991 -8.982 -1.146 1.00 14.13 C ATOM 386 C VAL A 28 27.701 -10.296 -1.450 1.00 43.43 C ATOM 387 O VAL A 28 28.809 -10.305 -1.985 1.00 21.32 O ATOM 388 CB VAL A 28 26.905 -8.796 0.380 1.00 1.13 C ATOM 389 CG1 VAL A 28 28.290 -8.870 1.006 1.00 52.33 C ATOM 390 CG2 VAL A 28 26.228 -7.478 0.721 1.00 14.12 C ATOM 0 H VAL A 28 24.895 -8.989 -1.099 1.00 74.11 H new ATOM 0 HA VAL A 28 27.563 -8.158 -1.572 1.00 14.13 H new ATOM 0 HB VAL A 28 26.301 -9.605 0.792 1.00 1.13 H new ATOM 0 HG11 VAL A 28 28.209 -8.736 2.085 1.00 52.33 H new ATOM 0 HG12 VAL A 28 28.734 -9.842 0.793 1.00 52.33 H new ATOM 0 HG13 VAL A 28 28.920 -8.084 0.589 1.00 52.33 H new ATOM 0 HG21 VAL A 28 26.177 -7.365 1.804 1.00 14.12 H new ATOM 0 HG22 VAL A 28 26.802 -6.654 0.297 1.00 14.12 H new ATOM 0 HG23 VAL A 28 25.220 -7.469 0.307 1.00 14.12 H new ATOM 400 N ILE A 29 27.054 -11.404 -1.103 1.00 31.43 N ATOM 401 CA ILE A 29 27.624 -12.725 -1.340 1.00 40.45 C ATOM 402 C ILE A 29 27.969 -12.919 -2.812 1.00 14.33 C ATOM 403 O ILE A 29 29.067 -13.362 -3.149 1.00 13.41 O ATOM 404 CB ILE A 29 26.658 -13.841 -0.900 1.00 22.32 C ATOM 405 CG1 ILE A 29 26.326 -13.702 0.587 1.00 13.41 C ATOM 406 CG2 ILE A 29 27.261 -15.207 -1.188 1.00 63.04 C ATOM 407 CD1 ILE A 29 27.523 -13.889 1.494 1.00 62.43 C ATOM 0 H ILE A 29 26.136 -11.413 -0.658 1.00 31.43 H new ATOM 0 HA ILE A 29 28.535 -12.787 -0.745 1.00 40.45 H new ATOM 0 HB ILE A 29 25.733 -13.746 -1.469 1.00 22.32 H new ATOM 0 HG12 ILE A 29 25.897 -12.716 0.764 1.00 13.41 H new ATOM 0 HG13 ILE A 29 25.563 -14.434 0.851 1.00 13.41 H new ATOM 0 HG21 ILE A 29 26.567 -15.985 -0.872 1.00 63.04 H new ATOM 0 HG22 ILE A 29 27.451 -15.303 -2.257 1.00 63.04 H new ATOM 0 HG23 ILE A 29 28.198 -15.313 -0.642 1.00 63.04 H new ATOM 0 HD11 ILE A 29 27.213 -13.777 2.533 1.00 62.43 H new ATOM 0 HD12 ILE A 29 27.940 -14.885 1.345 1.00 62.43 H new ATOM 0 HD13 ILE A 29 28.279 -13.140 1.258 1.00 62.43 H new ATOM 419 N ALA A 30 27.026 -12.583 -3.685 1.00 2.53 N ATOM 420 CA ALA A 30 27.232 -12.716 -5.122 1.00 20.44 C ATOM 421 C ALA A 30 28.492 -11.982 -5.566 1.00 61.53 C ATOM 422 O ALA A 30 29.409 -12.584 -6.127 1.00 22.11 O ATOM 423 CB ALA A 30 26.020 -12.194 -5.880 1.00 1.24 C ATOM 0 H ALA A 30 26.111 -12.216 -3.422 1.00 2.53 H new ATOM 0 HA ALA A 30 27.360 -13.774 -5.349 1.00 20.44 H new ATOM 0 HB1 ALA A 30 26.188 -12.300 -6.952 1.00 1.24 H new ATOM 0 HB2 ALA A 30 25.137 -12.766 -5.593 1.00 1.24 H new ATOM 0 HB3 ALA A 30 25.865 -11.142 -5.639 1.00 1.24 H new ATOM 429 N THR A 31 28.533 -10.677 -5.313 1.00 63.13 N ATOM 430 CA THR A 31 29.680 -9.861 -5.688 1.00 61.04 C ATOM 431 C THR A 31 30.980 -10.472 -5.177 1.00 61.13 C ATOM 432 O THR A 31 31.922 -10.680 -5.942 1.00 5.41 O ATOM 433 CB THR A 31 29.552 -8.427 -5.142 1.00 40.33 C ATOM 434 OG1 THR A 31 29.357 -8.458 -3.724 1.00 32.33 O ATOM 435 CG2 THR A 31 28.390 -7.698 -5.803 1.00 65.53 C ATOM 0 H THR A 31 27.784 -10.163 -4.849 1.00 63.13 H new ATOM 0 HA THR A 31 29.701 -9.827 -6.777 1.00 61.04 H new ATOM 0 HB THR A 31 30.474 -7.892 -5.370 1.00 40.33 H new ATOM 0 HG1 THR A 31 28.904 -9.290 -3.474 1.00 32.33 H new ATOM 0 HG21 THR A 31 28.319 -6.687 -5.402 1.00 65.53 H new ATOM 0 HG22 THR A 31 28.555 -7.650 -6.879 1.00 65.53 H new ATOM 0 HG23 THR A 31 27.463 -8.234 -5.602 1.00 65.53 H new ATOM 443 N VAL A 32 31.024 -10.759 -3.881 1.00 63.42 N ATOM 444 CA VAL A 32 32.209 -11.349 -3.269 1.00 5.54 C ATOM 445 C VAL A 32 32.670 -12.582 -4.038 1.00 54.05 C ATOM 446 O VAL A 32 33.839 -12.694 -4.408 1.00 5.41 O ATOM 447 CB VAL A 32 31.947 -11.741 -1.802 1.00 73.24 C ATOM 448 CG1 VAL A 32 33.180 -12.393 -1.195 1.00 21.44 C ATOM 449 CG2 VAL A 32 31.524 -10.524 -0.994 1.00 21.44 C ATOM 0 H VAL A 32 30.253 -10.593 -3.234 1.00 63.42 H new ATOM 0 HA VAL A 32 32.992 -10.591 -3.301 1.00 5.54 H new ATOM 0 HB VAL A 32 31.133 -12.466 -1.777 1.00 73.24 H new ATOM 0 HG11 VAL A 32 32.976 -12.663 -0.159 1.00 21.44 H new ATOM 0 HG12 VAL A 32 33.433 -13.290 -1.761 1.00 21.44 H new ATOM 0 HG13 VAL A 32 34.016 -11.694 -1.230 1.00 21.44 H new ATOM 0 HG21 VAL A 32 31.343 -10.819 0.040 1.00 21.44 H new ATOM 0 HG22 VAL A 32 32.315 -9.774 -1.025 1.00 21.44 H new ATOM 0 HG23 VAL A 32 30.611 -10.106 -1.417 1.00 21.44 H new ATOM 459 N ILE A 33 31.743 -13.504 -4.276 1.00 72.13 N ATOM 460 CA ILE A 33 32.054 -14.728 -5.003 1.00 54.42 C ATOM 461 C ILE A 33 32.620 -14.418 -6.385 1.00 4.00 C ATOM 462 O ILE A 33 33.630 -14.989 -6.797 1.00 21.31 O ATOM 463 CB ILE A 33 30.810 -15.623 -5.158 1.00 52.12 C ATOM 464 CG1 ILE A 33 30.259 -16.011 -3.785 1.00 21.12 C ATOM 465 CG2 ILE A 33 31.147 -16.864 -5.970 1.00 62.10 C ATOM 466 CD1 ILE A 33 28.773 -16.296 -3.788 1.00 11.23 C ATOM 0 H ILE A 33 30.771 -13.426 -3.976 1.00 72.13 H new ATOM 0 HA ILE A 33 32.803 -15.261 -4.418 1.00 54.42 H new ATOM 0 HB ILE A 33 30.042 -15.062 -5.691 1.00 52.12 H new ATOM 0 HG12 ILE A 33 30.789 -16.893 -3.426 1.00 21.12 H new ATOM 0 HG13 ILE A 33 30.465 -15.206 -3.079 1.00 21.12 H new ATOM 0 HG21 ILE A 33 30.257 -17.486 -6.070 1.00 62.10 H new ATOM 0 HG22 ILE A 33 31.496 -16.568 -6.959 1.00 62.10 H new ATOM 0 HG23 ILE A 33 31.929 -17.429 -5.463 1.00 62.10 H new ATOM 0 HD11 ILE A 33 28.452 -16.565 -2.782 1.00 11.23 H new ATOM 0 HD12 ILE A 33 28.233 -15.408 -4.116 1.00 11.23 H new ATOM 0 HD13 ILE A 33 28.562 -17.121 -4.468 1.00 11.23 H new ATOM 478 N VAL A 34 31.962 -13.509 -7.097 1.00 14.21 N ATOM 479 CA VAL A 34 32.400 -13.121 -8.432 1.00 63.22 C ATOM 480 C VAL A 34 33.873 -12.728 -8.434 1.00 1.31 C ATOM 481 O VAL A 34 34.670 -13.272 -9.200 1.00 61.34 O ATOM 482 CB VAL A 34 31.566 -11.947 -8.977 1.00 45.31 C ATOM 483 CG1 VAL A 34 31.998 -11.596 -10.394 1.00 71.33 C ATOM 484 CG2 VAL A 34 30.082 -12.281 -8.931 1.00 44.42 C ATOM 0 H VAL A 34 31.124 -13.028 -6.772 1.00 14.21 H new ATOM 0 HA VAL A 34 32.257 -13.988 -9.077 1.00 63.22 H new ATOM 0 HB VAL A 34 31.739 -11.077 -8.344 1.00 45.31 H new ATOM 0 HG11 VAL A 34 31.397 -10.764 -10.762 1.00 71.33 H new ATOM 0 HG12 VAL A 34 33.050 -11.311 -10.394 1.00 71.33 H new ATOM 0 HG13 VAL A 34 31.856 -12.461 -11.042 1.00 71.33 H new ATOM 0 HG21 VAL A 34 29.508 -11.440 -9.320 1.00 44.42 H new ATOM 0 HG22 VAL A 34 29.889 -13.165 -9.539 1.00 44.42 H new ATOM 0 HG23 VAL A 34 29.785 -12.478 -7.901 1.00 44.42 H new ATOM 494 N ILE A 35 34.228 -11.779 -7.574 1.00 52.04 N ATOM 495 CA ILE A 35 35.606 -11.315 -7.475 1.00 3.11 C ATOM 496 C ILE A 35 36.549 -12.461 -7.126 1.00 22.43 C ATOM 497 O ILE A 35 37.685 -12.512 -7.599 1.00 24.13 O ATOM 498 CB ILE A 35 35.751 -10.204 -6.417 1.00 71.33 C ATOM 499 CG1 ILE A 35 34.760 -9.072 -6.696 1.00 54.20 C ATOM 500 CG2 ILE A 35 37.177 -9.675 -6.398 1.00 4.32 C ATOM 501 CD1 ILE A 35 34.834 -7.943 -5.692 1.00 4.51 C ATOM 0 H ILE A 35 33.580 -11.317 -6.936 1.00 52.04 H new ATOM 0 HA ILE A 35 35.874 -10.913 -8.452 1.00 3.11 H new ATOM 0 HB ILE A 35 35.527 -10.624 -5.436 1.00 71.33 H new ATOM 0 HG12 ILE A 35 34.947 -8.674 -7.693 1.00 54.20 H new ATOM 0 HG13 ILE A 35 33.749 -9.478 -6.700 1.00 54.20 H new ATOM 0 HG21 ILE A 35 37.264 -8.891 -5.646 1.00 4.32 H new ATOM 0 HG22 ILE A 35 37.863 -10.487 -6.157 1.00 4.32 H new ATOM 0 HG23 ILE A 35 37.427 -9.268 -7.378 1.00 4.32 H new ATOM 0 HD11 ILE A 35 34.104 -7.176 -5.952 1.00 4.51 H new ATOM 0 HD12 ILE A 35 34.617 -8.328 -4.695 1.00 4.51 H new ATOM 0 HD13 ILE A 35 35.834 -7.510 -5.704 1.00 4.51 H new ATOM 513 N THR A 36 36.071 -13.381 -6.294 1.00 23.30 N ATOM 514 CA THR A 36 36.871 -14.527 -5.881 1.00 12.33 C ATOM 515 C THR A 36 37.203 -15.422 -7.069 1.00 64.40 C ATOM 516 O THR A 36 38.327 -15.909 -7.197 1.00 3.32 O ATOM 517 CB THR A 36 36.142 -15.364 -4.811 1.00 2.02 C ATOM 518 OG1 THR A 36 35.887 -14.561 -3.653 1.00 42.24 O ATOM 519 CG2 THR A 36 36.971 -16.578 -4.418 1.00 24.42 C ATOM 0 H THR A 36 35.134 -13.355 -5.893 1.00 23.30 H new ATOM 0 HA THR A 36 37.794 -14.132 -5.457 1.00 12.33 H new ATOM 0 HB THR A 36 35.197 -15.708 -5.231 1.00 2.02 H new ATOM 0 HG1 THR A 36 35.192 -13.902 -3.859 1.00 42.24 H new ATOM 0 HG21 THR A 36 36.437 -17.154 -3.662 1.00 24.42 H new ATOM 0 HG22 THR A 36 37.142 -17.202 -5.296 1.00 24.42 H new ATOM 0 HG23 THR A 36 37.929 -16.249 -4.015 1.00 24.42 H new ATOM 527 N LEU A 37 36.220 -15.635 -7.937 1.00 64.30 N ATOM 528 CA LEU A 37 36.409 -16.471 -9.117 1.00 12.02 C ATOM 529 C LEU A 37 37.368 -15.813 -10.104 1.00 42.22 C ATOM 530 O LEU A 37 38.226 -16.474 -10.689 1.00 14.21 O ATOM 531 CB LEU A 37 35.065 -16.741 -9.796 1.00 4.41 C ATOM 532 CG LEU A 37 34.889 -18.132 -10.407 1.00 24.51 C ATOM 533 CD1 LEU A 37 33.457 -18.612 -10.234 1.00 52.32 C ATOM 534 CD2 LEU A 37 35.276 -18.121 -11.879 1.00 32.01 C ATOM 0 H LEU A 37 35.284 -15.240 -7.846 1.00 64.30 H new ATOM 0 HA LEU A 37 36.843 -17.418 -8.795 1.00 12.02 H new ATOM 0 HB2 LEU A 37 34.273 -16.585 -9.064 1.00 4.41 H new ATOM 0 HB3 LEU A 37 34.923 -16.000 -10.583 1.00 4.41 H new ATOM 0 HG LEU A 37 35.549 -18.824 -9.884 1.00 24.51 H new ATOM 0 HD11 LEU A 37 33.350 -19.603 -10.675 1.00 52.32 H new ATOM 0 HD12 LEU A 37 33.215 -18.659 -9.172 1.00 52.32 H new ATOM 0 HD13 LEU A 37 32.778 -17.919 -10.731 1.00 52.32 H new ATOM 0 HD21 LEU A 37 35.145 -19.119 -12.297 1.00 32.01 H new ATOM 0 HD22 LEU A 37 34.642 -17.416 -12.417 1.00 32.01 H new ATOM 0 HD23 LEU A 37 36.319 -17.820 -11.979 1.00 32.01 H new ATOM 546 N VAL A 38 37.216 -14.504 -10.284 1.00 12.50 N ATOM 547 CA VAL A 38 38.070 -13.754 -11.197 1.00 14.13 C ATOM 548 C VAL A 38 39.540 -13.907 -10.826 1.00 43.02 C ATOM 549 O VAL A 38 40.367 -14.276 -11.659 1.00 4.42 O ATOM 550 CB VAL A 38 37.706 -12.257 -11.204 1.00 63.23 C ATOM 551 CG1 VAL A 38 38.484 -11.523 -12.286 1.00 52.42 C ATOM 552 CG2 VAL A 38 36.208 -12.075 -11.398 1.00 72.31 C ATOM 0 H VAL A 38 36.509 -13.942 -9.810 1.00 12.50 H new ATOM 0 HA VAL A 38 37.906 -14.165 -12.193 1.00 14.13 H new ATOM 0 HB VAL A 38 37.980 -11.830 -10.239 1.00 63.23 H new ATOM 0 HG11 VAL A 38 38.214 -10.467 -12.276 1.00 52.42 H new ATOM 0 HG12 VAL A 38 39.553 -11.626 -12.099 1.00 52.42 H new ATOM 0 HG13 VAL A 38 38.244 -11.950 -13.260 1.00 52.42 H new ATOM 0 HG21 VAL A 38 35.968 -11.012 -11.400 1.00 72.31 H new ATOM 0 HG22 VAL A 38 35.908 -12.517 -12.348 1.00 72.31 H new ATOM 0 HG23 VAL A 38 35.674 -12.566 -10.585 1.00 72.31 H new ATOM 562 N MET A 39 39.859 -13.621 -9.568 1.00 61.25 N ATOM 563 CA MET A 39 41.231 -13.728 -9.085 1.00 21.03 C ATOM 564 C MET A 39 41.727 -15.167 -9.173 1.00 45.04 C ATOM 565 O MET A 39 42.903 -15.414 -9.444 1.00 22.32 O ATOM 566 CB MET A 39 41.326 -13.230 -7.641 1.00 2.21 C ATOM 567 CG MET A 39 40.467 -14.021 -6.668 1.00 10.01 C ATOM 568 SD MET A 39 40.662 -13.469 -4.962 1.00 64.42 S ATOM 569 CE MET A 39 40.993 -15.025 -4.138 1.00 13.41 C ATOM 0 H MET A 39 39.187 -13.314 -8.865 1.00 61.25 H new ATOM 0 HA MET A 39 41.863 -13.105 -9.718 1.00 21.03 H new ATOM 0 HB2 MET A 39 42.366 -13.277 -7.317 1.00 2.21 H new ATOM 0 HB3 MET A 39 41.029 -12.182 -7.606 1.00 2.21 H new ATOM 0 HG2 MET A 39 39.420 -13.931 -6.958 1.00 10.01 H new ATOM 0 HG3 MET A 39 40.727 -15.077 -6.736 1.00 10.01 H new ATOM 0 HE1 MET A 39 41.066 -14.859 -3.063 1.00 13.41 H new ATOM 0 HE2 MET A 39 40.183 -15.725 -4.343 1.00 13.41 H new ATOM 0 HE3 MET A 39 41.932 -15.439 -4.506 1.00 13.41 H new ATOM 579 N LEU A 40 40.825 -16.114 -8.941 1.00 32.34 N ATOM 580 CA LEU A 40 41.172 -17.530 -8.993 1.00 63.45 C ATOM 581 C LEU A 40 41.654 -17.922 -10.387 1.00 3.35 C ATOM 582 O LEU A 40 42.592 -18.707 -10.534 1.00 22.51 O ATOM 583 CB LEU A 40 39.967 -18.386 -8.600 1.00 12.50 C ATOM 584 CG LEU A 40 40.176 -19.340 -7.424 1.00 51.42 C ATOM 585 CD1 LEU A 40 38.944 -20.206 -7.212 1.00 44.13 C ATOM 586 CD2 LEU A 40 41.405 -20.208 -7.654 1.00 71.23 C ATOM 0 H LEU A 40 39.848 -15.927 -8.715 1.00 32.34 H new ATOM 0 HA LEU A 40 41.982 -17.706 -8.285 1.00 63.45 H new ATOM 0 HB2 LEU A 40 39.137 -17.721 -8.359 1.00 12.50 H new ATOM 0 HB3 LEU A 40 39.664 -18.972 -9.468 1.00 12.50 H new ATOM 0 HG LEU A 40 40.337 -18.746 -6.524 1.00 51.42 H new ATOM 0 HD11 LEU A 40 39.112 -20.878 -6.371 1.00 44.13 H new ATOM 0 HD12 LEU A 40 38.084 -19.570 -7.002 1.00 44.13 H new ATOM 0 HD13 LEU A 40 38.752 -20.791 -8.111 1.00 44.13 H new ATOM 0 HD21 LEU A 40 41.539 -20.881 -6.807 1.00 71.23 H new ATOM 0 HD22 LEU A 40 41.273 -20.792 -8.565 1.00 71.23 H new ATOM 0 HD23 LEU A 40 42.285 -19.573 -7.755 1.00 71.23 H new ATOM 598 N LYS A 41 41.009 -17.367 -11.407 1.00 21.33 N ATOM 599 CA LYS A 41 41.373 -17.655 -12.790 1.00 43.51 C ATOM 600 C LYS A 41 42.562 -16.806 -13.227 1.00 52.01 C ATOM 601 O LYS A 41 43.359 -17.219 -14.069 1.00 71.12 O ATOM 602 CB LYS A 41 40.182 -17.399 -13.716 1.00 53.23 C ATOM 603 CG LYS A 41 38.955 -18.225 -13.371 1.00 12.31 C ATOM 604 CD LYS A 41 38.866 -19.477 -14.228 1.00 0.25 C ATOM 605 CE LYS A 41 37.796 -19.344 -15.300 1.00 15.01 C ATOM 606 NZ LYS A 41 37.955 -20.364 -16.373 1.00 0.01 N1+ ATOM 0 H LYS A 41 40.231 -16.715 -11.303 1.00 21.33 H new ATOM 0 HA LYS A 41 41.656 -18.706 -12.854 1.00 43.51 H new ATOM 0 HB2 LYS A 41 39.921 -16.341 -13.675 1.00 53.23 H new ATOM 0 HB3 LYS A 41 40.478 -17.614 -14.743 1.00 53.23 H new ATOM 0 HG2 LYS A 41 38.988 -18.505 -12.318 1.00 12.31 H new ATOM 0 HG3 LYS A 41 38.058 -17.622 -13.512 1.00 12.31 H new ATOM 0 HD2 LYS A 41 39.831 -19.667 -14.698 1.00 0.25 H new ATOM 0 HD3 LYS A 41 38.644 -20.337 -13.596 1.00 0.25 H new ATOM 0 HE2 LYS A 41 36.811 -19.447 -14.845 1.00 15.01 H new ATOM 0 HE3 LYS A 41 37.842 -18.347 -15.737 1.00 15.01 H new ATOM 0 HZ1 LYS A 41 37.206 -20.239 -17.084 1.00 0.01 H new ATOM 0 HZ2 LYS A 41 38.885 -20.250 -16.825 1.00 0.01 H new ATOM 0 HZ3 LYS A 41 37.885 -21.316 -15.960 1.00 0.01 H new ATOM 620 N LYS A 42 42.678 -15.615 -12.648 1.00 51.20 N ATOM 621 CA LYS A 42 43.771 -14.708 -12.975 1.00 63.05 C ATOM 622 C LYS A 42 44.951 -14.915 -12.030 1.00 75.13 C ATOM 623 O LYS A 42 44.932 -14.457 -10.887 1.00 11.34 O ATOM 624 CB LYS A 42 43.294 -13.255 -12.903 1.00 73.31 C ATOM 625 CG LYS A 42 44.132 -12.299 -13.734 1.00 3.55 C ATOM 626 CD LYS A 42 43.424 -11.910 -15.021 1.00 52.11 C ATOM 627 CE LYS A 42 44.369 -11.948 -16.211 1.00 52.23 C ATOM 628 NZ LYS A 42 45.095 -10.660 -16.384 1.00 52.20 N1+ ATOM 0 H LYS A 42 42.027 -15.256 -11.949 1.00 51.20 H new ATOM 0 HA LYS A 42 44.100 -14.926 -13.991 1.00 63.05 H new ATOM 0 HB2 LYS A 42 42.258 -13.204 -13.239 1.00 73.31 H new ATOM 0 HB3 LYS A 42 43.308 -12.928 -11.863 1.00 73.31 H new ATOM 0 HG2 LYS A 42 44.348 -11.403 -13.152 1.00 3.55 H new ATOM 0 HG3 LYS A 42 45.089 -12.764 -13.971 1.00 3.55 H new ATOM 0 HD2 LYS A 42 42.589 -12.588 -15.197 1.00 52.11 H new ATOM 0 HD3 LYS A 42 43.006 -10.909 -14.919 1.00 52.11 H new ATOM 0 HE2 LYS A 42 45.089 -12.755 -16.077 1.00 52.23 H new ATOM 0 HE3 LYS A 42 43.804 -12.171 -17.116 1.00 52.23 H new ATOM 0 HZ1 LYS A 42 45.729 -10.727 -17.206 1.00 52.20 H new ATOM 0 HZ2 LYS A 42 44.410 -9.893 -16.537 1.00 52.20 H new ATOM 0 HZ3 LYS A 42 45.654 -10.459 -15.530 1.00 52.20 H new ATOM 642 N LYS A 43 45.977 -15.606 -12.514 1.00 65.22 N ATOM 643 CA LYS A 43 47.167 -15.871 -11.715 1.00 71.00 C ATOM 644 C LYS A 43 46.810 -16.637 -10.445 1.00 0.54 C ATOM 645 O LYS A 43 47.191 -17.799 -10.317 1.00 31.10 O ATOM 646 CB LYS A 43 47.865 -14.557 -11.352 1.00 34.12 C ATOM 647 CG LYS A 43 49.278 -14.449 -11.899 1.00 32.44 C ATOM 648 CD LYS A 43 49.314 -13.649 -13.191 1.00 72.23 C ATOM 649 CE LYS A 43 49.633 -12.185 -12.931 1.00 55.42 C ATOM 650 NZ LYS A 43 49.716 -11.403 -14.196 1.00 35.41 N1+ ATOM 0 H LYS A 43 46.008 -15.993 -13.457 1.00 65.22 H new ATOM 0 HA LYS A 43 47.845 -16.484 -12.309 1.00 71.00 H new ATOM 0 HB2 LYS A 43 47.273 -13.724 -11.731 1.00 34.12 H new ATOM 0 HB3 LYS A 43 47.896 -14.459 -10.267 1.00 34.12 H new ATOM 0 HG2 LYS A 43 49.921 -13.975 -11.158 1.00 32.44 H new ATOM 0 HG3 LYS A 43 49.678 -15.447 -12.076 1.00 32.44 H new ATOM 0 HD2 LYS A 43 50.062 -14.072 -13.861 1.00 72.23 H new ATOM 0 HD3 LYS A 43 48.352 -13.729 -13.696 1.00 72.23 H new ATOM 0 HE2 LYS A 43 48.866 -11.755 -12.288 1.00 55.42 H new ATOM 0 HE3 LYS A 43 50.579 -12.109 -12.394 1.00 55.42 H new ATOM 0 HZ1 LYS A 43 49.935 -10.410 -13.977 1.00 35.41 H new ATOM 0 HZ2 LYS A 43 50.465 -11.798 -14.800 1.00 35.41 H new ATOM 0 HZ3 LYS A 43 48.806 -11.454 -14.696 1.00 35.41 H new TER 664 LYS A 43 ATOM 665 N GLY B 1 17.209 4.030 -15.321 1.00 53.22 N ATOM 666 CA GLY B 1 16.629 2.737 -15.004 1.00 45.42 C ATOM 667 C GLY B 1 15.827 2.164 -16.153 1.00 11.40 C ATOM 668 O GLY B 1 16.338 2.013 -17.264 1.00 20.32 O ATOM 0 H1 GLY B 1 17.748 4.379 -14.503 1.00 53.22 H new ATOM 0 H2 GLY B 1 17.845 3.934 -16.139 1.00 53.22 H new ATOM 0 H3 GLY B 1 16.451 4.704 -15.549 1.00 53.22 H new ATOM 0 HA2 GLY B 1 17.424 2.041 -14.738 1.00 45.42 H new ATOM 0 HA3 GLY B 1 15.986 2.835 -14.130 1.00 45.42 H new ATOM 672 N SER B 2 14.564 1.841 -15.889 1.00 72.12 N ATOM 673 CA SER B 2 13.690 1.275 -16.910 1.00 41.31 C ATOM 674 C SER B 2 12.328 1.962 -16.901 1.00 35.14 C ATOM 675 O SER B 2 11.982 2.664 -15.950 1.00 22.20 O ATOM 676 CB SER B 2 13.516 -0.229 -16.686 1.00 64.41 C ATOM 677 OG SER B 2 14.461 -0.718 -15.750 1.00 51.02 O ATOM 0 H SER B 2 14.124 1.962 -14.977 1.00 72.12 H new ATOM 0 HA SER B 2 14.154 1.439 -17.882 1.00 41.31 H new ATOM 0 HB2 SER B 2 12.507 -0.432 -16.328 1.00 64.41 H new ATOM 0 HB3 SER B 2 13.631 -0.757 -17.633 1.00 64.41 H new ATOM 0 HG SER B 2 14.328 -1.681 -15.623 1.00 51.02 H new ATOM 683 N GLN B 3 11.561 1.756 -17.967 1.00 42.32 N ATOM 684 CA GLN B 3 10.237 2.357 -18.082 1.00 54.12 C ATOM 685 C GLN B 3 9.295 1.806 -17.016 1.00 55.21 C ATOM 686 O GLN B 3 8.458 2.531 -16.477 1.00 15.34 O ATOM 687 CB GLN B 3 9.658 2.100 -19.474 1.00 34.12 C ATOM 688 CG GLN B 3 9.056 3.337 -20.120 1.00 43.54 C ATOM 689 CD GLN B 3 10.104 4.365 -20.501 1.00 71.33 C ATOM 690 OE1 GLN B 3 11.217 4.358 -19.975 1.00 74.31 O ATOM 691 NE2 GLN B 3 9.753 5.256 -21.421 1.00 35.24 N ATOM 0 H GLN B 3 11.833 1.178 -18.762 1.00 42.32 H new ATOM 0 HA GLN B 3 10.338 3.432 -17.931 1.00 54.12 H new ATOM 0 HB2 GLN B 3 10.445 1.710 -20.119 1.00 34.12 H new ATOM 0 HB3 GLN B 3 8.892 1.328 -19.403 1.00 34.12 H new ATOM 0 HG2 GLN B 3 8.500 3.043 -21.010 1.00 43.54 H new ATOM 0 HG3 GLN B 3 8.341 3.790 -19.433 1.00 43.54 H new ATOM 0 HE21 GLN B 3 8.820 5.225 -21.831 1.00 35.24 H new ATOM 0 HE22 GLN B 3 10.417 5.971 -21.718 1.00 35.24 H new ATOM 700 N LYS B 4 9.435 0.519 -16.717 1.00 43.11 N ATOM 701 CA LYS B 4 8.598 -0.130 -15.714 1.00 32.21 C ATOM 702 C LYS B 4 8.984 0.322 -14.309 1.00 53.02 C ATOM 703 O LYS B 4 8.135 0.408 -13.421 1.00 40.43 O ATOM 704 CB LYS B 4 8.721 -1.650 -15.825 1.00 12.53 C ATOM 705 CG LYS B 4 7.844 -2.255 -16.908 1.00 1.55 C ATOM 706 CD LYS B 4 7.114 -3.492 -16.410 1.00 35.44 C ATOM 707 CE LYS B 4 6.875 -4.488 -17.533 1.00 5.21 C ATOM 708 NZ LYS B 4 6.735 -5.879 -17.021 1.00 4.24 N1+ ATOM 0 H LYS B 4 10.121 -0.096 -17.155 1.00 43.11 H new ATOM 0 HA LYS B 4 7.563 0.159 -15.897 1.00 32.21 H new ATOM 0 HB2 LYS B 4 9.761 -1.908 -16.025 1.00 12.53 H new ATOM 0 HB3 LYS B 4 8.460 -2.098 -14.866 1.00 12.53 H new ATOM 0 HG2 LYS B 4 7.119 -1.515 -17.245 1.00 1.55 H new ATOM 0 HG3 LYS B 4 8.457 -2.516 -17.770 1.00 1.55 H new ATOM 0 HD2 LYS B 4 7.696 -3.966 -15.620 1.00 35.44 H new ATOM 0 HD3 LYS B 4 6.160 -3.201 -15.972 1.00 35.44 H new ATOM 0 HE2 LYS B 4 5.974 -4.210 -18.079 1.00 5.21 H new ATOM 0 HE3 LYS B 4 7.703 -4.443 -18.240 1.00 5.21 H new ATOM 0 HZ1 LYS B 4 6.573 -6.528 -17.818 1.00 4.24 H new ATOM 0 HZ2 LYS B 4 7.605 -6.154 -16.522 1.00 4.24 H new ATOM 0 HZ3 LYS B 4 5.929 -5.928 -16.366 1.00 4.24 H new ATOM 722 N LEU B 5 10.266 0.608 -14.116 1.00 34.22 N ATOM 723 CA LEU B 5 10.763 1.052 -12.818 1.00 23.42 C ATOM 724 C LEU B 5 10.135 2.384 -12.421 1.00 41.44 C ATOM 725 O LEU B 5 9.592 2.524 -11.326 1.00 34.33 O ATOM 726 CB LEU B 5 12.286 1.182 -12.851 1.00 43.11 C ATOM 727 CG LEU B 5 13.057 0.304 -11.865 1.00 61.22 C ATOM 728 CD1 LEU B 5 12.717 0.686 -10.432 1.00 31.04 C ATOM 729 CD2 LEU B 5 12.756 -1.167 -12.112 1.00 32.43 C ATOM 0 H LEU B 5 10.980 0.541 -14.841 1.00 34.22 H new ATOM 0 HA LEU B 5 10.485 0.305 -12.075 1.00 23.42 H new ATOM 0 HB2 LEU B 5 12.629 0.948 -13.859 1.00 43.11 H new ATOM 0 HB3 LEU B 5 12.546 2.223 -12.659 1.00 43.11 H new ATOM 0 HG LEU B 5 14.124 0.467 -12.020 1.00 61.22 H new ATOM 0 HD11 LEU B 5 13.275 0.051 -9.744 1.00 31.04 H new ATOM 0 HD12 LEU B 5 12.984 1.729 -10.260 1.00 31.04 H new ATOM 0 HD13 LEU B 5 11.648 0.552 -10.264 1.00 31.04 H new ATOM 0 HD21 LEU B 5 13.313 -1.777 -11.401 1.00 32.43 H new ATOM 0 HD22 LEU B 5 11.688 -1.346 -11.985 1.00 32.43 H new ATOM 0 HD23 LEU B 5 13.050 -1.433 -13.127 1.00 32.43 H new ATOM 741 N VAL B 6 10.213 3.360 -13.320 1.00 61.20 N ATOM 742 CA VAL B 6 9.650 4.681 -13.065 1.00 73.22 C ATOM 743 C VAL B 6 8.141 4.605 -12.865 1.00 65.44 C ATOM 744 O VAL B 6 7.566 5.378 -12.098 1.00 21.42 O ATOM 745 CB VAL B 6 9.955 5.653 -14.220 1.00 23.24 C ATOM 746 CG1 VAL B 6 11.447 5.940 -14.296 1.00 75.25 C ATOM 747 CG2 VAL B 6 9.444 5.092 -15.538 1.00 10.05 C ATOM 0 H VAL B 6 10.660 3.261 -14.231 1.00 61.20 H new ATOM 0 HA VAL B 6 10.117 5.054 -12.153 1.00 73.22 H new ATOM 0 HB VAL B 6 9.438 6.593 -14.027 1.00 23.24 H new ATOM 0 HG11 VAL B 6 11.644 6.628 -15.118 1.00 75.25 H new ATOM 0 HG12 VAL B 6 11.779 6.388 -13.360 1.00 75.25 H new ATOM 0 HG13 VAL B 6 11.988 5.009 -14.465 1.00 75.25 H new ATOM 0 HG21 VAL B 6 9.668 5.792 -16.343 1.00 10.05 H new ATOM 0 HG22 VAL B 6 9.931 4.138 -15.741 1.00 10.05 H new ATOM 0 HG23 VAL B 6 8.366 4.943 -15.477 1.00 10.05 H new ATOM 757 N PHE B 7 7.503 3.667 -13.558 1.00 44.35 N ATOM 758 CA PHE B 7 6.059 3.491 -13.457 1.00 4.41 C ATOM 759 C PHE B 7 5.645 3.208 -12.016 1.00 63.22 C ATOM 760 O PHE B 7 4.641 3.731 -11.533 1.00 2.21 O ATOM 761 CB PHE B 7 5.599 2.349 -14.365 1.00 22.50 C ATOM 762 CG PHE B 7 4.108 2.278 -14.532 1.00 33.23 C ATOM 763 CD1 PHE B 7 3.414 3.322 -15.122 1.00 54.13 C ATOM 764 CD2 PHE B 7 3.401 1.169 -14.098 1.00 35.51 C ATOM 765 CE1 PHE B 7 2.042 3.261 -15.276 1.00 51.43 C ATOM 766 CE2 PHE B 7 2.028 1.101 -14.251 1.00 14.54 C ATOM 767 CZ PHE B 7 1.349 2.148 -14.841 1.00 53.25 C ATOM 0 H PHE B 7 7.963 3.017 -14.195 1.00 44.35 H new ATOM 0 HA PHE B 7 5.582 4.417 -13.778 1.00 4.41 H new ATOM 0 HB2 PHE B 7 6.061 2.467 -15.345 1.00 22.50 H new ATOM 0 HB3 PHE B 7 5.956 1.404 -13.956 1.00 22.50 H new ATOM 0 HD1 PHE B 7 3.951 4.194 -15.466 1.00 54.13 H new ATOM 0 HD2 PHE B 7 3.928 0.348 -13.635 1.00 35.51 H new ATOM 0 HE1 PHE B 7 1.512 4.082 -15.736 1.00 51.43 H new ATOM 0 HE2 PHE B 7 1.488 0.230 -13.909 1.00 14.54 H new ATOM 0 HZ PHE B 7 0.277 2.097 -14.962 1.00 53.25 H new ATOM 777 N PHE B 8 6.426 2.376 -11.335 1.00 14.24 N ATOM 778 CA PHE B 8 6.142 2.022 -9.949 1.00 23.40 C ATOM 779 C PHE B 8 6.618 3.117 -8.999 1.00 21.31 C ATOM 780 O PHE B 8 6.037 3.325 -7.934 1.00 43.03 O ATOM 781 CB PHE B 8 6.813 0.694 -9.593 1.00 62.24 C ATOM 782 CG PHE B 8 5.985 -0.509 -9.942 1.00 44.41 C ATOM 783 CD1 PHE B 8 5.505 -0.687 -11.229 1.00 71.13 C ATOM 784 CD2 PHE B 8 5.686 -1.463 -8.982 1.00 45.44 C ATOM 785 CE1 PHE B 8 4.743 -1.792 -11.554 1.00 35.51 C ATOM 786 CE2 PHE B 8 4.924 -2.571 -9.302 1.00 71.42 C ATOM 787 CZ PHE B 8 4.451 -2.736 -10.589 1.00 61.34 C ATOM 0 H PHE B 8 7.261 1.934 -11.720 1.00 14.24 H new ATOM 0 HA PHE B 8 5.063 1.917 -9.840 1.00 23.40 H new ATOM 0 HB2 PHE B 8 7.770 0.629 -10.111 1.00 62.24 H new ATOM 0 HB3 PHE B 8 7.028 0.680 -8.524 1.00 62.24 H new ATOM 0 HD1 PHE B 8 5.729 0.048 -11.988 1.00 71.13 H new ATOM 0 HD2 PHE B 8 6.052 -1.339 -7.974 1.00 45.44 H new ATOM 0 HE1 PHE B 8 4.376 -1.918 -12.562 1.00 35.51 H new ATOM 0 HE2 PHE B 8 4.698 -3.308 -8.545 1.00 71.42 H new ATOM 0 HZ PHE B 8 3.855 -3.601 -10.840 1.00 61.34 H new ATOM 797 N ALA B 9 7.679 3.814 -9.392 1.00 3.32 N ATOM 798 CA ALA B 9 8.232 4.888 -8.577 1.00 54.53 C ATOM 799 C ALA B 9 7.178 5.948 -8.277 1.00 33.43 C ATOM 800 O ALA B 9 7.288 6.684 -7.297 1.00 63.12 O ATOM 801 CB ALA B 9 9.430 5.516 -9.274 1.00 3.22 C ATOM 0 H ALA B 9 8.173 3.654 -10.270 1.00 3.32 H new ATOM 0 HA ALA B 9 8.559 4.460 -7.630 1.00 54.53 H new ATOM 0 HB1 ALA B 9 9.833 6.317 -8.654 1.00 3.22 H new ATOM 0 HB2 ALA B 9 10.197 4.758 -9.432 1.00 3.22 H new ATOM 0 HB3 ALA B 9 9.119 5.924 -10.236 1.00 3.22 H new ATOM 807 N GLU B 10 6.158 6.018 -9.125 1.00 45.21 N ATOM 808 CA GLU B 10 5.084 6.990 -8.950 1.00 70.42 C ATOM 809 C GLU B 10 3.851 6.333 -8.337 1.00 44.53 C ATOM 810 O GLU B 10 3.257 6.861 -7.395 1.00 32.34 O ATOM 811 CB GLU B 10 4.721 7.630 -10.291 1.00 22.13 C ATOM 812 CG GLU B 10 4.479 6.621 -11.402 1.00 1.50 C ATOM 813 CD GLU B 10 4.180 7.280 -12.734 1.00 64.55 C ATOM 814 OE1 GLU B 10 4.168 8.528 -12.788 1.00 64.21 O ATOM 815 OE2 GLU B 10 3.959 6.550 -13.722 1.00 2.44 O1- ATOM 0 H GLU B 10 6.052 5.414 -9.940 1.00 45.21 H new ATOM 0 HA GLU B 10 5.438 7.765 -8.270 1.00 70.42 H new ATOM 0 HB2 GLU B 10 3.826 8.238 -10.163 1.00 22.13 H new ATOM 0 HB3 GLU B 10 5.524 8.303 -10.592 1.00 22.13 H new ATOM 0 HG2 GLU B 10 5.357 5.983 -11.506 1.00 1.50 H new ATOM 0 HG3 GLU B 10 3.646 5.975 -11.126 1.00 1.50 H new ATOM 822 N ASP B 11 3.472 5.180 -8.877 1.00 22.22 N ATOM 823 CA ASP B 11 2.309 4.451 -8.383 1.00 24.31 C ATOM 824 C ASP B 11 2.381 4.274 -6.869 1.00 71.11 C ATOM 825 O ASP B 11 1.576 4.839 -6.130 1.00 64.32 O ATOM 826 CB ASP B 11 2.211 3.085 -9.064 1.00 44.23 C ATOM 827 CG ASP B 11 1.181 3.065 -10.177 1.00 22.45 C ATOM 828 OD1 ASP B 11 0.074 3.602 -9.969 1.00 74.44 O1- ATOM 829 OD2 ASP B 11 1.484 2.513 -11.255 1.00 53.01 O ATOM 0 H ASP B 11 3.952 4.730 -9.656 1.00 22.22 H new ATOM 0 HA ASP B 11 1.418 5.032 -8.621 1.00 24.31 H new ATOM 0 HB2 ASP B 11 3.186 2.814 -9.470 1.00 44.23 H new ATOM 0 HB3 ASP B 11 1.954 2.330 -8.321 1.00 44.23 H new ATOM 834 N VAL B 12 3.351 3.486 -6.417 1.00 55.21 N ATOM 835 CA VAL B 12 3.528 3.235 -4.991 1.00 52.10 C ATOM 836 C VAL B 12 4.776 3.932 -4.460 1.00 62.40 C ATOM 837 O VAL B 12 4.788 4.439 -3.339 1.00 65.11 O ATOM 838 CB VAL B 12 3.632 1.727 -4.695 1.00 62.05 C ATOM 839 CG1 VAL B 12 2.319 1.028 -5.013 1.00 4.04 C ATOM 840 CG2 VAL B 12 4.778 1.108 -5.482 1.00 52.34 C ATOM 0 H VAL B 12 4.026 3.011 -7.016 1.00 55.21 H new ATOM 0 HA VAL B 12 2.649 3.637 -4.488 1.00 52.10 H new ATOM 0 HB VAL B 12 3.838 1.597 -3.633 1.00 62.05 H new ATOM 0 HG11 VAL B 12 2.412 -0.036 -4.798 1.00 4.04 H new ATOM 0 HG12 VAL B 12 1.523 1.454 -4.402 1.00 4.04 H new ATOM 0 HG13 VAL B 12 2.080 1.165 -6.068 1.00 4.04 H new ATOM 0 HG21 VAL B 12 4.837 0.042 -5.261 1.00 52.34 H new ATOM 0 HG22 VAL B 12 4.604 1.248 -6.549 1.00 52.34 H new ATOM 0 HG23 VAL B 12 5.715 1.589 -5.201 1.00 52.34 H new ATOM 850 N GLY B 13 5.826 3.956 -5.276 1.00 23.54 N ATOM 851 CA GLY B 13 7.064 4.595 -4.872 1.00 64.33 C ATOM 852 C GLY B 13 8.025 3.630 -4.205 1.00 22.53 C ATOM 853 O GLY B 13 9.231 3.679 -4.444 1.00 53.34 O ATOM 0 H GLY B 13 5.841 3.544 -6.209 1.00 23.54 H new ATOM 0 HA2 GLY B 13 7.544 5.035 -5.746 1.00 64.33 H new ATOM 0 HA3 GLY B 13 6.840 5.412 -4.186 1.00 64.33 H new ATOM 857 N SER B 14 7.488 2.749 -3.366 1.00 21.23 N ATOM 858 CA SER B 14 8.306 1.771 -2.659 1.00 62.54 C ATOM 859 C SER B 14 9.013 0.842 -3.642 1.00 73.21 C ATOM 860 O SER B 14 10.038 0.242 -3.317 1.00 41.54 O ATOM 861 CB SER B 14 7.443 0.952 -1.697 1.00 5.22 C ATOM 862 OG SER B 14 8.180 0.570 -0.550 1.00 73.04 O ATOM 0 H SER B 14 6.491 2.693 -3.160 1.00 21.23 H new ATOM 0 HA SER B 14 9.061 2.311 -2.088 1.00 62.54 H new ATOM 0 HB2 SER B 14 6.573 1.536 -1.396 1.00 5.22 H new ATOM 0 HB3 SER B 14 7.069 0.063 -2.206 1.00 5.22 H new ATOM 0 HG SER B 14 7.606 0.049 0.049 1.00 73.04 H new ATOM 868 N ASN B 15 8.459 0.729 -4.844 1.00 71.02 N ATOM 869 CA ASN B 15 9.035 -0.126 -5.874 1.00 74.13 C ATOM 870 C ASN B 15 9.011 -1.590 -5.443 1.00 63.30 C ATOM 871 O ASN B 15 9.813 -2.017 -4.612 1.00 52.43 O ATOM 872 CB ASN B 15 10.472 0.304 -6.179 1.00 43.53 C ATOM 873 CG ASN B 15 10.656 1.806 -6.092 1.00 72.21 C ATOM 874 OD1 ASN B 15 11.348 2.308 -5.206 1.00 20.22 O ATOM 875 ND2 ASN B 15 10.034 2.532 -7.014 1.00 60.13 N ATOM 0 H ASN B 15 7.611 1.219 -5.129 1.00 71.02 H new ATOM 0 HA ASN B 15 8.432 -0.021 -6.776 1.00 74.13 H new ATOM 0 HB2 ASN B 15 11.151 -0.184 -5.479 1.00 43.53 H new ATOM 0 HB3 ASN B 15 10.746 -0.036 -7.178 1.00 43.53 H new ATOM 0 HD21 ASN B 15 10.120 3.548 -7.006 1.00 60.13 H new ATOM 0 HD22 ASN B 15 9.471 2.073 -7.730 1.00 60.13 H new ATOM 882 N LYS B 16 8.085 -2.354 -6.012 1.00 43.20 N ATOM 883 CA LYS B 16 7.957 -3.770 -5.690 1.00 54.43 C ATOM 884 C LYS B 16 8.842 -4.618 -6.597 1.00 15.13 C ATOM 885 O LYS B 16 9.458 -5.585 -6.153 1.00 51.12 O ATOM 886 CB LYS B 16 6.499 -4.214 -5.822 1.00 71.21 C ATOM 887 CG LYS B 16 5.787 -4.370 -4.489 1.00 22.40 C ATOM 888 CD LYS B 16 4.788 -3.250 -4.255 1.00 33.51 C ATOM 889 CE LYS B 16 4.467 -3.089 -2.778 1.00 15.53 C ATOM 890 NZ LYS B 16 3.535 -4.145 -2.294 1.00 24.33 N1+ ATOM 0 H LYS B 16 7.411 -2.016 -6.699 1.00 43.20 H new ATOM 0 HA LYS B 16 8.282 -3.913 -4.660 1.00 54.43 H new ATOM 0 HB2 LYS B 16 5.960 -3.487 -6.429 1.00 71.21 H new ATOM 0 HB3 LYS B 16 6.464 -5.163 -6.356 1.00 71.21 H new ATOM 0 HG2 LYS B 16 5.271 -5.330 -4.461 1.00 22.40 H new ATOM 0 HG3 LYS B 16 6.520 -4.379 -3.683 1.00 22.40 H new ATOM 0 HD2 LYS B 16 5.190 -2.315 -4.645 1.00 33.51 H new ATOM 0 HD3 LYS B 16 3.871 -3.457 -4.807 1.00 33.51 H new ATOM 0 HE2 LYS B 16 5.390 -3.127 -2.200 1.00 15.53 H new ATOM 0 HE3 LYS B 16 4.024 -2.108 -2.608 1.00 15.53 H new ATOM 0 HZ1 LYS B 16 3.341 -4.000 -1.283 1.00 24.33 H new ATOM 0 HZ2 LYS B 16 2.644 -4.093 -2.828 1.00 24.33 H new ATOM 0 HZ3 LYS B 16 3.968 -5.080 -2.433 1.00 24.33 H new ATOM 904 N GLY B 17 8.902 -4.247 -7.873 1.00 4.31 N ATOM 905 CA GLY B 17 9.715 -4.984 -8.823 1.00 33.42 C ATOM 906 C GLY B 17 11.197 -4.860 -8.534 1.00 53.42 C ATOM 907 O GLY B 17 11.960 -5.802 -8.751 1.00 43.40 O ATOM 0 H GLY B 17 8.402 -3.449 -8.265 1.00 4.31 H new ATOM 0 HA2 GLY B 17 9.430 -6.036 -8.801 1.00 33.42 H new ATOM 0 HA3 GLY B 17 9.512 -4.620 -9.830 1.00 33.42 H new ATOM 911 N ALA B 18 11.608 -3.695 -8.044 1.00 32.22 N ATOM 912 CA ALA B 18 13.010 -3.451 -7.726 1.00 63.10 C ATOM 913 C ALA B 18 13.460 -4.303 -6.543 1.00 74.14 C ATOM 914 O ALA B 18 14.439 -5.044 -6.637 1.00 4.35 O ATOM 915 CB ALA B 18 13.237 -1.976 -7.433 1.00 33.43 C ATOM 0 H ALA B 18 10.990 -2.905 -7.859 1.00 32.22 H new ATOM 0 HA ALA B 18 13.608 -3.733 -8.593 1.00 63.10 H new ATOM 0 HB1 ALA B 18 14.288 -1.809 -7.197 1.00 33.43 H new ATOM 0 HB2 ALA B 18 12.963 -1.385 -8.307 1.00 33.43 H new ATOM 0 HB3 ALA B 18 12.623 -1.675 -6.584 1.00 33.43 H new ATOM 921 N ILE B 19 12.740 -4.193 -5.433 1.00 3.21 N ATOM 922 CA ILE B 19 13.065 -4.953 -4.233 1.00 42.52 C ATOM 923 C ILE B 19 13.084 -6.451 -4.520 1.00 45.01 C ATOM 924 O ILE B 19 14.092 -7.123 -4.296 1.00 51.23 O ATOM 925 CB ILE B 19 12.062 -4.671 -3.099 1.00 33.45 C ATOM 926 CG1 ILE B 19 12.044 -3.179 -2.763 1.00 32.21 C ATOM 927 CG2 ILE B 19 12.412 -5.493 -1.866 1.00 64.11 C ATOM 928 CD1 ILE B 19 13.357 -2.668 -2.214 1.00 15.41 C ATOM 0 H ILE B 19 11.927 -3.584 -5.339 1.00 3.21 H new ATOM 0 HA ILE B 19 14.058 -4.634 -3.916 1.00 42.52 H new ATOM 0 HB ILE B 19 11.066 -4.960 -3.435 1.00 33.45 H new ATOM 0 HG12 ILE B 19 11.791 -2.616 -3.661 1.00 32.21 H new ATOM 0 HG13 ILE B 19 11.256 -2.988 -2.035 1.00 32.21 H new ATOM 0 HG21 ILE B 19 11.694 -5.283 -1.073 1.00 64.11 H new ATOM 0 HG22 ILE B 19 12.378 -6.554 -2.114 1.00 64.11 H new ATOM 0 HG23 ILE B 19 13.414 -5.231 -1.527 1.00 64.11 H new ATOM 0 HD11 ILE B 19 13.271 -1.603 -1.998 1.00 15.41 H new ATOM 0 HD12 ILE B 19 13.602 -3.205 -1.298 1.00 15.41 H new ATOM 0 HD13 ILE B 19 14.145 -2.827 -2.950 1.00 15.41 H new ATOM 940 N ILE B 20 11.965 -6.967 -5.016 1.00 43.32 N ATOM 941 CA ILE B 20 11.854 -8.384 -5.336 1.00 64.50 C ATOM 942 C ILE B 20 12.885 -8.793 -6.384 1.00 3.13 C ATOM 943 O ILE B 20 13.638 -9.746 -6.189 1.00 61.12 O ATOM 944 CB ILE B 20 10.447 -8.737 -5.852 1.00 12.10 C ATOM 945 CG1 ILE B 20 9.391 -8.372 -4.806 1.00 4.15 C ATOM 946 CG2 ILE B 20 10.366 -10.215 -6.202 1.00 22.15 C ATOM 947 CD1 ILE B 20 9.547 -9.124 -3.503 1.00 15.43 C ATOM 0 H ILE B 20 11.122 -6.425 -5.205 1.00 43.32 H new ATOM 0 HA ILE B 20 12.041 -8.931 -4.412 1.00 64.50 H new ATOM 0 HB ILE B 20 10.251 -8.160 -6.756 1.00 12.10 H new ATOM 0 HG12 ILE B 20 9.443 -7.302 -4.607 1.00 4.15 H new ATOM 0 HG13 ILE B 20 8.401 -8.572 -5.216 1.00 4.15 H new ATOM 0 HG21 ILE B 20 9.365 -10.449 -6.565 1.00 22.15 H new ATOM 0 HG22 ILE B 20 11.096 -10.446 -6.977 1.00 22.15 H new ATOM 0 HG23 ILE B 20 10.578 -10.811 -5.315 1.00 22.15 H new ATOM 0 HD11 ILE B 20 8.765 -8.815 -2.809 1.00 15.43 H new ATOM 0 HD12 ILE B 20 9.465 -10.195 -3.689 1.00 15.43 H new ATOM 0 HD13 ILE B 20 10.523 -8.904 -3.071 1.00 15.43 H new ATOM 959 N GLY B 21 12.912 -8.065 -7.496 1.00 73.30 N ATOM 960 CA GLY B 21 13.854 -8.366 -8.557 1.00 11.22 C ATOM 961 C GLY B 21 15.286 -8.418 -8.063 1.00 42.32 C ATOM 962 O GLY B 21 16.117 -9.139 -8.619 1.00 43.00 O ATOM 0 H GLY B 21 12.298 -7.272 -7.681 1.00 73.30 H new ATOM 0 HA2 GLY B 21 13.594 -9.323 -9.009 1.00 11.22 H new ATOM 0 HA3 GLY B 21 13.770 -7.611 -9.339 1.00 11.22 H new ATOM 966 N LEU B 22 15.578 -7.653 -7.017 1.00 1.10 N ATOM 967 CA LEU B 22 16.921 -7.613 -6.449 1.00 63.54 C ATOM 968 C LEU B 22 17.212 -8.879 -5.650 1.00 3.34 C ATOM 969 O LEU B 22 18.197 -9.571 -5.903 1.00 3.31 O ATOM 970 CB LEU B 22 17.081 -6.383 -5.553 1.00 2.22 C ATOM 971 CG LEU B 22 17.930 -5.245 -6.120 1.00 43.13 C ATOM 972 CD1 LEU B 22 17.517 -3.916 -5.508 1.00 35.24 C ATOM 973 CD2 LEU B 22 19.409 -5.511 -5.877 1.00 43.24 C ATOM 0 H LEU B 22 14.903 -7.052 -6.545 1.00 1.10 H new ATOM 0 HA LEU B 22 17.635 -7.552 -7.271 1.00 63.54 H new ATOM 0 HB2 LEU B 22 16.089 -5.992 -5.327 1.00 2.22 H new ATOM 0 HB3 LEU B 22 17.521 -6.702 -4.608 1.00 2.22 H new ATOM 0 HG LEU B 22 17.763 -5.193 -7.196 1.00 43.13 H new ATOM 0 HD11 LEU B 22 18.132 -3.117 -5.923 1.00 35.24 H new ATOM 0 HD12 LEU B 22 16.469 -3.722 -5.734 1.00 35.24 H new ATOM 0 HD13 LEU B 22 17.654 -3.955 -4.427 1.00 35.24 H new ATOM 0 HD21 LEU B 22 19.998 -4.691 -6.287 1.00 43.24 H new ATOM 0 HD22 LEU B 22 19.593 -5.590 -4.806 1.00 43.24 H new ATOM 0 HD23 LEU B 22 19.696 -6.443 -6.364 1.00 43.24 H new ATOM 985 N MET B 23 16.346 -9.178 -4.687 1.00 44.40 N ATOM 986 CA MET B 23 16.509 -10.364 -3.854 1.00 71.22 C ATOM 987 C MET B 23 16.469 -11.632 -4.700 1.00 4.21 C ATOM 988 O MET B 23 17.249 -12.559 -4.484 1.00 74.33 O ATOM 989 CB MET B 23 15.416 -10.416 -2.785 1.00 54.41 C ATOM 990 CG MET B 23 14.007 -10.326 -3.351 1.00 32.30 C ATOM 991 SD MET B 23 12.743 -10.306 -2.065 1.00 4.02 S ATOM 992 CE MET B 23 12.653 -12.047 -1.652 1.00 45.11 C ATOM 0 H MET B 23 15.525 -8.616 -4.464 1.00 44.40 H new ATOM 0 HA MET B 23 17.482 -10.304 -3.366 1.00 71.22 H new ATOM 0 HB2 MET B 23 15.514 -11.344 -2.222 1.00 54.41 H new ATOM 0 HB3 MET B 23 15.569 -9.598 -2.081 1.00 54.41 H new ATOM 0 HG2 MET B 23 13.919 -9.423 -3.956 1.00 32.30 H new ATOM 0 HG3 MET B 23 13.831 -11.173 -4.015 1.00 32.30 H new ATOM 0 HE1 MET B 23 11.911 -12.197 -0.868 1.00 45.11 H new ATOM 0 HE2 MET B 23 12.366 -12.616 -2.536 1.00 45.11 H new ATOM 0 HE3 MET B 23 13.627 -12.388 -1.301 1.00 45.11 H new ATOM 1002 N VAL B 24 15.555 -11.667 -5.665 1.00 14.24 N ATOM 1003 CA VAL B 24 15.415 -12.821 -6.544 1.00 33.43 C ATOM 1004 C VAL B 24 16.659 -13.012 -7.403 1.00 12.43 C ATOM 1005 O VAL B 24 17.251 -14.091 -7.425 1.00 51.14 O ATOM 1006 CB VAL B 24 14.187 -12.681 -7.463 1.00 32.42 C ATOM 1007 CG1 VAL B 24 14.077 -13.878 -8.396 1.00 73.50 C ATOM 1008 CG2 VAL B 24 12.920 -12.519 -6.639 1.00 15.54 C ATOM 0 H VAL B 24 14.900 -10.909 -5.857 1.00 14.24 H new ATOM 0 HA VAL B 24 15.283 -13.692 -5.903 1.00 33.43 H new ATOM 0 HB VAL B 24 14.313 -11.786 -8.073 1.00 32.42 H new ATOM 0 HG11 VAL B 24 13.203 -13.760 -9.037 1.00 73.50 H new ATOM 0 HG12 VAL B 24 14.974 -13.942 -9.013 1.00 73.50 H new ATOM 0 HG13 VAL B 24 13.975 -14.790 -7.808 1.00 73.50 H new ATOM 0 HG21 VAL B 24 12.063 -12.421 -7.305 1.00 15.54 H new ATOM 0 HG22 VAL B 24 12.786 -13.393 -6.001 1.00 15.54 H new ATOM 0 HG23 VAL B 24 13.001 -11.626 -6.019 1.00 15.54 H new ATOM 1018 N GLY B 25 17.052 -11.957 -8.110 1.00 45.24 N ATOM 1019 CA GLY B 25 18.226 -12.030 -8.961 1.00 52.24 C ATOM 1020 C GLY B 25 19.480 -12.388 -8.190 1.00 12.45 C ATOM 1021 O GLY B 25 20.255 -13.244 -8.614 1.00 44.51 O ATOM 0 H GLY B 25 16.579 -11.053 -8.109 1.00 45.24 H new ATOM 0 HA2 GLY B 25 18.059 -12.772 -9.742 1.00 52.24 H new ATOM 0 HA3 GLY B 25 18.371 -11.071 -9.458 1.00 52.24 H new ATOM 1025 N GLY B 26 19.683 -11.730 -7.052 1.00 12.45 N ATOM 1026 CA GLY B 26 20.854 -11.996 -6.239 1.00 62.31 C ATOM 1027 C GLY B 26 20.971 -13.458 -5.851 1.00 71.30 C ATOM 1028 O GLY B 26 22.044 -14.052 -5.957 1.00 64.44 O ATOM 0 H GLY B 26 19.056 -11.017 -6.679 1.00 12.45 H new ATOM 0 HA2 GLY B 26 21.748 -11.696 -6.786 1.00 62.31 H new ATOM 0 HA3 GLY B 26 20.812 -11.386 -5.337 1.00 62.31 H new ATOM 1032 N VAL B 27 19.864 -14.039 -5.399 1.00 24.11 N ATOM 1033 CA VAL B 27 19.846 -15.438 -4.994 1.00 31.31 C ATOM 1034 C VAL B 27 20.109 -16.358 -6.181 1.00 64.42 C ATOM 1035 O VAL B 27 20.757 -17.397 -6.045 1.00 52.42 O ATOM 1036 CB VAL B 27 18.499 -15.820 -4.352 1.00 22.42 C ATOM 1037 CG1 VAL B 27 18.489 -17.292 -3.967 1.00 14.40 C ATOM 1038 CG2 VAL B 27 18.217 -14.941 -3.142 1.00 24.04 C ATOM 0 H VAL B 27 18.968 -13.561 -5.304 1.00 24.11 H new ATOM 0 HA VAL B 27 20.640 -15.564 -4.258 1.00 31.31 H new ATOM 0 HB VAL B 27 17.708 -15.656 -5.084 1.00 22.42 H new ATOM 0 HG11 VAL B 27 17.530 -17.543 -3.515 1.00 14.40 H new ATOM 0 HG12 VAL B 27 18.642 -17.902 -4.857 1.00 14.40 H new ATOM 0 HG13 VAL B 27 19.289 -17.487 -3.252 1.00 14.40 H new ATOM 0 HG21 VAL B 27 17.261 -15.225 -2.701 1.00 24.04 H new ATOM 0 HG22 VAL B 27 19.010 -15.071 -2.405 1.00 24.04 H new ATOM 0 HG23 VAL B 27 18.178 -13.897 -3.452 1.00 24.04 H new ATOM 1048 N VAL B 28 19.604 -15.969 -7.348 1.00 44.32 N ATOM 1049 CA VAL B 28 19.786 -16.758 -8.561 1.00 72.25 C ATOM 1050 C VAL B 28 21.235 -16.711 -9.033 1.00 61.12 C ATOM 1051 O VAL B 28 21.882 -17.748 -9.182 1.00 4.12 O ATOM 1052 CB VAL B 28 18.871 -16.259 -9.695 1.00 30.43 C ATOM 1053 CG1 VAL B 28 19.101 -17.071 -10.962 1.00 14.03 C ATOM 1054 CG2 VAL B 28 17.412 -16.323 -9.269 1.00 41.34 C ATOM 0 H VAL B 28 19.066 -15.112 -7.479 1.00 44.32 H new ATOM 0 HA VAL B 28 19.520 -17.786 -8.315 1.00 72.25 H new ATOM 0 HB VAL B 28 19.118 -15.219 -9.908 1.00 30.43 H new ATOM 0 HG11 VAL B 28 18.446 -16.705 -11.753 1.00 14.03 H new ATOM 0 HG12 VAL B 28 20.140 -16.970 -11.275 1.00 14.03 H new ATOM 0 HG13 VAL B 28 18.882 -18.121 -10.766 1.00 14.03 H new ATOM 0 HG21 VAL B 28 16.780 -15.967 -10.082 1.00 41.34 H new ATOM 0 HG22 VAL B 28 17.148 -17.353 -9.028 1.00 41.34 H new ATOM 0 HG23 VAL B 28 17.262 -15.695 -8.391 1.00 41.34 H new ATOM 1064 N ILE B 29 21.736 -15.504 -9.269 1.00 43.52 N ATOM 1065 CA ILE B 29 23.109 -15.323 -9.724 1.00 61.14 C ATOM 1066 C ILE B 29 24.097 -15.968 -8.758 1.00 31.13 C ATOM 1067 O ILE B 29 24.998 -16.700 -9.171 1.00 42.31 O ATOM 1068 CB ILE B 29 23.460 -13.831 -9.879 1.00 72.21 C ATOM 1069 CG1 ILE B 29 22.511 -13.163 -10.876 1.00 65.04 C ATOM 1070 CG2 ILE B 29 24.904 -13.671 -10.325 1.00 30.35 C ATOM 1071 CD1 ILE B 29 22.633 -13.705 -12.283 1.00 25.13 C ATOM 0 H ILE B 29 21.212 -14.637 -9.153 1.00 43.52 H new ATOM 0 HA ILE B 29 23.185 -15.808 -10.697 1.00 61.14 H new ATOM 0 HB ILE B 29 23.343 -13.342 -8.912 1.00 72.21 H new ATOM 0 HG12 ILE B 29 21.485 -13.294 -10.532 1.00 65.04 H new ATOM 0 HG13 ILE B 29 22.708 -12.091 -10.890 1.00 65.04 H new ATOM 0 HG21 ILE B 29 25.137 -12.611 -10.430 1.00 30.35 H new ATOM 0 HG22 ILE B 29 25.566 -14.116 -9.582 1.00 30.35 H new ATOM 0 HG23 ILE B 29 25.046 -14.171 -11.283 1.00 30.35 H new ATOM 0 HD11 ILE B 29 21.931 -13.185 -12.935 1.00 25.13 H new ATOM 0 HD12 ILE B 29 23.649 -13.549 -12.646 1.00 25.13 H new ATOM 0 HD13 ILE B 29 22.407 -14.771 -12.283 1.00 25.13 H new ATOM 1083 N ALA B 30 23.922 -15.693 -7.469 1.00 61.53 N ATOM 1084 CA ALA B 30 24.796 -16.250 -6.444 1.00 41.51 C ATOM 1085 C ALA B 30 24.861 -17.770 -6.545 1.00 3.30 C ATOM 1086 O ALA B 30 25.935 -18.346 -6.723 1.00 12.12 O ATOM 1087 CB ALA B 30 24.321 -15.830 -5.061 1.00 34.43 C ATOM 0 H ALA B 30 23.183 -15.088 -7.110 1.00 61.53 H new ATOM 0 HA ALA B 30 25.800 -15.859 -6.605 1.00 41.51 H new ATOM 0 HB1 ALA B 30 24.983 -16.253 -4.305 1.00 34.43 H new ATOM 0 HB2 ALA B 30 24.333 -14.743 -4.987 1.00 34.43 H new ATOM 0 HB3 ALA B 30 23.306 -16.193 -4.899 1.00 34.43 H new ATOM 1093 N THR B 31 23.705 -18.417 -6.427 1.00 55.34 N ATOM 1094 CA THR B 31 23.632 -19.870 -6.504 1.00 44.34 C ATOM 1095 C THR B 31 24.329 -20.392 -7.754 1.00 64.05 C ATOM 1096 O THR B 31 25.194 -21.265 -7.676 1.00 32.31 O ATOM 1097 CB THR B 31 22.171 -20.359 -6.502 1.00 71.41 C ATOM 1098 OG1 THR B 31 21.442 -19.730 -7.562 1.00 55.31 O ATOM 1099 CG2 THR B 31 21.501 -20.058 -5.170 1.00 41.44 C ATOM 0 H THR B 31 22.807 -17.957 -6.278 1.00 55.34 H new ATOM 0 HA THR B 31 24.140 -20.259 -5.621 1.00 44.34 H new ATOM 0 HB THR B 31 22.172 -21.438 -6.654 1.00 71.41 H new ATOM 0 HG1 THR B 31 21.850 -18.863 -7.770 1.00 55.31 H new ATOM 0 HG21 THR B 31 20.470 -20.412 -5.193 1.00 41.44 H new ATOM 0 HG22 THR B 31 22.041 -20.563 -4.369 1.00 41.44 H new ATOM 0 HG23 THR B 31 21.511 -18.983 -4.993 1.00 41.44 H new ATOM 1107 N VAL B 32 23.950 -19.851 -8.907 1.00 33.22 N ATOM 1108 CA VAL B 32 24.540 -20.261 -10.175 1.00 10.51 C ATOM 1109 C VAL B 32 26.063 -20.211 -10.113 1.00 44.22 C ATOM 1110 O VAL B 32 26.740 -21.185 -10.445 1.00 21.24 O ATOM 1111 CB VAL B 32 24.055 -19.370 -11.335 1.00 72.41 C ATOM 1112 CG1 VAL B 32 24.715 -19.788 -12.640 1.00 30.13 C ATOM 1113 CG2 VAL B 32 22.540 -19.427 -11.451 1.00 1.22 C ATOM 0 H VAL B 32 23.236 -19.127 -8.989 1.00 33.22 H new ATOM 0 HA VAL B 32 24.219 -21.287 -10.357 1.00 10.51 H new ATOM 0 HB VAL B 32 24.342 -18.340 -11.125 1.00 72.41 H new ATOM 0 HG11 VAL B 32 24.361 -19.148 -13.448 1.00 30.13 H new ATOM 0 HG12 VAL B 32 25.797 -19.691 -12.548 1.00 30.13 H new ATOM 0 HG13 VAL B 32 24.461 -20.825 -12.860 1.00 30.13 H new ATOM 0 HG21 VAL B 32 22.214 -18.792 -12.275 1.00 1.22 H new ATOM 0 HG22 VAL B 32 22.228 -20.454 -11.639 1.00 1.22 H new ATOM 0 HG23 VAL B 32 22.090 -19.075 -10.522 1.00 1.22 H new ATOM 1123 N ILE B 33 26.596 -19.072 -9.686 1.00 33.21 N ATOM 1124 CA ILE B 33 28.039 -18.896 -9.580 1.00 4.21 C ATOM 1125 C ILE B 33 28.656 -19.953 -8.670 1.00 15.44 C ATOM 1126 O ILE B 33 29.669 -20.563 -9.009 1.00 54.11 O ATOM 1127 CB ILE B 33 28.397 -17.498 -9.041 1.00 4.41 C ATOM 1128 CG1 ILE B 33 27.852 -16.413 -9.972 1.00 74.01 C ATOM 1129 CG2 ILE B 33 29.904 -17.361 -8.886 1.00 44.25 C ATOM 1130 CD1 ILE B 33 27.566 -15.103 -9.270 1.00 63.23 C ATOM 0 H ILE B 33 26.050 -18.257 -9.408 1.00 33.21 H new ATOM 0 HA ILE B 33 28.445 -19.004 -10.586 1.00 4.21 H new ATOM 0 HB ILE B 33 27.937 -17.374 -8.061 1.00 4.41 H new ATOM 0 HG12 ILE B 33 28.571 -16.238 -10.773 1.00 74.01 H new ATOM 0 HG13 ILE B 33 26.936 -16.773 -10.440 1.00 74.01 H new ATOM 0 HG21 ILE B 33 30.142 -16.368 -8.504 1.00 44.25 H new ATOM 0 HG22 ILE B 33 30.268 -18.115 -8.188 1.00 44.25 H new ATOM 0 HG23 ILE B 33 30.384 -17.502 -9.855 1.00 44.25 H new ATOM 0 HD11 ILE B 33 27.183 -14.380 -9.990 1.00 63.23 H new ATOM 0 HD12 ILE B 33 26.824 -15.264 -8.488 1.00 63.23 H new ATOM 0 HD13 ILE B 33 28.485 -14.720 -8.826 1.00 63.23 H new ATOM 1142 N VAL B 34 28.036 -20.164 -7.513 1.00 65.04 N ATOM 1143 CA VAL B 34 28.521 -21.150 -6.555 1.00 34.20 C ATOM 1144 C VAL B 34 28.736 -22.504 -7.221 1.00 44.13 C ATOM 1145 O VAL B 34 29.834 -23.059 -7.184 1.00 72.22 O ATOM 1146 CB VAL B 34 27.543 -21.318 -5.378 1.00 24.51 C ATOM 1147 CG1 VAL B 34 28.093 -22.310 -4.364 1.00 24.53 C ATOM 1148 CG2 VAL B 34 27.264 -19.974 -4.722 1.00 24.41 C ATOM 0 H VAL B 34 27.197 -19.665 -7.217 1.00 65.04 H new ATOM 0 HA VAL B 34 29.473 -20.780 -6.175 1.00 34.20 H new ATOM 0 HB VAL B 34 26.602 -21.712 -5.763 1.00 24.51 H new ATOM 0 HG11 VAL B 34 27.388 -22.416 -3.539 1.00 24.53 H new ATOM 0 HG12 VAL B 34 28.238 -23.278 -4.844 1.00 24.53 H new ATOM 0 HG13 VAL B 34 29.047 -21.948 -3.981 1.00 24.53 H new ATOM 0 HG21 VAL B 34 26.571 -20.111 -3.892 1.00 24.41 H new ATOM 0 HG22 VAL B 34 28.197 -19.550 -4.350 1.00 24.41 H new ATOM 0 HG23 VAL B 34 26.824 -19.296 -5.454 1.00 24.41 H new ATOM 1158 N ILE B 35 27.679 -23.031 -7.830 1.00 3.34 N ATOM 1159 CA ILE B 35 27.751 -24.321 -8.505 1.00 33.00 C ATOM 1160 C ILE B 35 28.825 -24.314 -9.589 1.00 44.55 C ATOM 1161 O ILE B 35 29.504 -25.318 -9.813 1.00 3.43 O ATOM 1162 CB ILE B 35 26.400 -24.701 -9.140 1.00 62.11 C ATOM 1163 CG1 ILE B 35 25.287 -24.644 -8.092 1.00 20.03 C ATOM 1164 CG2 ILE B 35 26.479 -26.087 -9.762 1.00 51.44 C ATOM 1165 CD1 ILE B 35 23.922 -24.997 -8.641 1.00 34.21 C ATOM 0 H ILE B 35 26.763 -22.585 -7.870 1.00 3.34 H new ATOM 0 HA ILE B 35 28.007 -25.061 -7.746 1.00 33.00 H new ATOM 0 HB ILE B 35 26.170 -23.984 -9.928 1.00 62.11 H new ATOM 0 HG12 ILE B 35 25.530 -25.327 -7.278 1.00 20.03 H new ATOM 0 HG13 ILE B 35 25.250 -23.641 -7.667 1.00 20.03 H new ATOM 0 HG21 ILE B 35 25.517 -26.342 -10.207 1.00 51.44 H new ATOM 0 HG22 ILE B 35 27.249 -26.096 -10.533 1.00 51.44 H new ATOM 0 HG23 ILE B 35 26.728 -26.818 -8.992 1.00 51.44 H new ATOM 0 HD11 ILE B 35 23.182 -24.936 -7.843 1.00 34.21 H new ATOM 0 HD12 ILE B 35 23.658 -24.299 -9.435 1.00 34.21 H new ATOM 0 HD13 ILE B 35 23.942 -26.011 -9.041 1.00 34.21 H new ATOM 1177 N THR B 36 28.974 -23.176 -10.258 1.00 75.45 N ATOM 1178 CA THR B 36 29.965 -23.037 -11.319 1.00 63.13 C ATOM 1179 C THR B 36 31.381 -23.182 -10.770 1.00 60.44 C ATOM 1180 O THR B 36 32.231 -23.829 -11.382 1.00 74.33 O ATOM 1181 CB THR B 36 29.840 -21.677 -12.030 1.00 71.44 C ATOM 1182 OG1 THR B 36 28.541 -21.551 -12.619 1.00 5.23 O ATOM 1183 CG2 THR B 36 30.905 -21.529 -13.107 1.00 0.52 C ATOM 0 H THR B 36 28.421 -22.336 -10.085 1.00 75.45 H new ATOM 0 HA THR B 36 29.773 -23.833 -12.038 1.00 63.13 H new ATOM 0 HB THR B 36 29.982 -20.890 -11.289 1.00 71.44 H new ATOM 0 HG1 THR B 36 27.873 -21.423 -11.913 1.00 5.23 H new ATOM 0 HG21 THR B 36 30.797 -20.561 -13.595 1.00 0.52 H new ATOM 0 HG22 THR B 36 31.894 -21.598 -12.653 1.00 0.52 H new ATOM 0 HG23 THR B 36 30.789 -22.323 -13.845 1.00 0.52 H new ATOM 1191 N LEU B 37 31.627 -22.577 -9.613 1.00 70.42 N ATOM 1192 CA LEU B 37 32.940 -22.639 -8.982 1.00 13.33 C ATOM 1193 C LEU B 37 33.249 -24.056 -8.505 1.00 71.54 C ATOM 1194 O LEU B 37 34.369 -24.542 -8.657 1.00 74.21 O ATOM 1195 CB LEU B 37 33.007 -21.667 -7.804 1.00 42.54 C ATOM 1196 CG LEU B 37 34.349 -20.965 -7.587 1.00 54.52 C ATOM 1197 CD1 LEU B 37 34.136 -19.538 -7.109 1.00 30.11 C ATOM 1198 CD2 LEU B 37 35.202 -21.742 -6.594 1.00 43.10 C ATOM 0 H LEU B 37 30.934 -22.038 -9.093 1.00 70.42 H new ATOM 0 HA LEU B 37 33.686 -22.354 -9.724 1.00 13.33 H new ATOM 0 HB2 LEU B 37 32.240 -20.905 -7.943 1.00 42.54 H new ATOM 0 HB3 LEU B 37 32.754 -22.212 -6.895 1.00 42.54 H new ATOM 0 HG LEU B 37 34.877 -20.930 -8.540 1.00 54.52 H new ATOM 0 HD11 LEU B 37 35.102 -19.056 -6.961 1.00 30.11 H new ATOM 0 HD12 LEU B 37 33.566 -18.985 -7.856 1.00 30.11 H new ATOM 0 HD13 LEU B 37 33.587 -19.548 -6.167 1.00 30.11 H new ATOM 0 HD21 LEU B 37 36.153 -21.229 -6.451 1.00 43.10 H new ATOM 0 HD22 LEU B 37 34.679 -21.809 -5.640 1.00 43.10 H new ATOM 0 HD23 LEU B 37 35.385 -22.745 -6.979 1.00 43.10 H new ATOM 1210 N VAL B 38 32.246 -24.712 -7.930 1.00 74.15 N ATOM 1211 CA VAL B 38 32.408 -26.073 -7.434 1.00 2.23 C ATOM 1212 C VAL B 38 32.869 -27.012 -8.544 1.00 45.44 C ATOM 1213 O VAL B 38 33.866 -27.718 -8.400 1.00 14.02 O ATOM 1214 CB VAL B 38 31.097 -26.612 -6.833 1.00 11.23 C ATOM 1215 CG1 VAL B 38 31.328 -27.961 -6.169 1.00 20.41 C ATOM 1216 CG2 VAL B 38 30.515 -25.614 -5.844 1.00 31.42 C ATOM 0 H VAL B 38 31.313 -24.323 -7.796 1.00 74.15 H new ATOM 0 HA VAL B 38 33.168 -26.036 -6.654 1.00 2.23 H new ATOM 0 HB VAL B 38 30.378 -26.751 -7.640 1.00 11.23 H new ATOM 0 HG11 VAL B 38 30.390 -28.326 -5.750 1.00 20.41 H new ATOM 0 HG12 VAL B 38 31.696 -28.672 -6.908 1.00 20.41 H new ATOM 0 HG13 VAL B 38 32.064 -27.853 -5.372 1.00 20.41 H new ATOM 0 HG21 VAL B 38 29.589 -26.011 -5.429 1.00 31.42 H new ATOM 0 HG22 VAL B 38 31.229 -25.441 -5.039 1.00 31.42 H new ATOM 0 HG23 VAL B 38 30.310 -24.673 -6.355 1.00 31.42 H new ATOM 1226 N MET B 39 32.135 -27.012 -9.653 1.00 64.54 N ATOM 1227 CA MET B 39 32.470 -27.863 -10.790 1.00 75.40 C ATOM 1228 C MET B 39 33.828 -27.484 -11.370 1.00 62.05 C ATOM 1229 O MET B 39 34.571 -28.342 -11.849 1.00 45.22 O ATOM 1230 CB MET B 39 31.392 -27.754 -11.870 1.00 30.12 C ATOM 1231 CG MET B 39 31.229 -26.349 -12.426 1.00 4.42 C ATOM 1232 SD MET B 39 30.021 -26.267 -13.763 1.00 62.03 S ATOM 1233 CE MET B 39 30.967 -25.410 -15.020 1.00 5.11 C ATOM 0 H MET B 39 31.306 -26.433 -9.788 1.00 64.54 H new ATOM 0 HA MET B 39 32.520 -28.894 -10.439 1.00 75.40 H new ATOM 0 HB2 MET B 39 31.637 -28.433 -12.687 1.00 30.12 H new ATOM 0 HB3 MET B 39 30.440 -28.085 -11.456 1.00 30.12 H new ATOM 0 HG2 MET B 39 30.923 -25.678 -11.623 1.00 4.42 H new ATOM 0 HG3 MET B 39 32.193 -25.992 -12.790 1.00 4.42 H new ATOM 0 HE1 MET B 39 30.333 -25.220 -15.886 1.00 5.11 H new ATOM 0 HE2 MET B 39 31.329 -24.463 -14.620 1.00 5.11 H new ATOM 0 HE3 MET B 39 31.815 -26.025 -15.320 1.00 5.11 H new ATOM 1243 N LEU B 40 34.148 -26.195 -11.325 1.00 73.54 N ATOM 1244 CA LEU B 40 35.418 -25.702 -11.848 1.00 15.22 C ATOM 1245 C LEU B 40 36.592 -26.313 -11.089 1.00 21.40 C ATOM 1246 O LEU B 40 37.618 -26.653 -11.680 1.00 31.53 O ATOM 1247 CB LEU B 40 35.473 -24.176 -11.754 1.00 21.30 C ATOM 1248 CG LEU B 40 35.719 -23.432 -13.067 1.00 24.04 C ATOM 1249 CD1 LEU B 40 35.863 -21.940 -12.815 1.00 34.54 C ATOM 1250 CD2 LEU B 40 36.955 -23.979 -13.766 1.00 61.34 C ATOM 0 H LEU B 40 33.545 -25.472 -10.932 1.00 73.54 H new ATOM 0 HA LEU B 40 35.492 -25.998 -12.895 1.00 15.22 H new ATOM 0 HB2 LEU B 40 34.532 -23.824 -11.331 1.00 21.30 H new ATOM 0 HB3 LEU B 40 36.261 -23.903 -11.052 1.00 21.30 H new ATOM 0 HG LEU B 40 34.859 -23.588 -13.718 1.00 24.04 H new ATOM 0 HD11 LEU B 40 36.038 -21.426 -13.760 1.00 34.54 H new ATOM 0 HD12 LEU B 40 34.950 -21.558 -12.358 1.00 34.54 H new ATOM 0 HD13 LEU B 40 36.705 -21.764 -12.146 1.00 34.54 H new ATOM 0 HD21 LEU B 40 37.115 -23.438 -14.699 1.00 61.34 H new ATOM 0 HD22 LEU B 40 37.824 -23.853 -13.120 1.00 61.34 H new ATOM 0 HD23 LEU B 40 36.813 -25.038 -13.981 1.00 61.34 H new ATOM 1262 N LYS B 41 36.434 -26.452 -9.777 1.00 1.44 N ATOM 1263 CA LYS B 41 37.479 -27.024 -8.937 1.00 5.03 C ATOM 1264 C LYS B 41 37.446 -28.548 -8.990 1.00 34.12 C ATOM 1265 O LYS B 41 38.475 -29.208 -8.841 1.00 50.41 O ATOM 1266 CB LYS B 41 37.316 -26.550 -7.491 1.00 51.44 C ATOM 1267 CG LYS B 41 37.362 -25.039 -7.338 1.00 43.13 C ATOM 1268 CD LYS B 41 38.748 -24.562 -6.936 1.00 25.43 C ATOM 1269 CE LYS B 41 38.795 -24.160 -5.470 1.00 71.12 C ATOM 1270 NZ LYS B 41 40.194 -24.070 -4.964 1.00 71.01 N1+ ATOM 0 H LYS B 41 35.592 -26.176 -9.272 1.00 1.44 H new ATOM 0 HA LYS B 41 38.443 -26.685 -9.318 1.00 5.03 H new ATOM 0 HB2 LYS B 41 36.367 -26.918 -7.102 1.00 51.44 H new ATOM 0 HB3 LYS B 41 38.103 -26.993 -6.881 1.00 51.44 H new ATOM 0 HG2 LYS B 41 37.072 -24.568 -8.277 1.00 43.13 H new ATOM 0 HG3 LYS B 41 36.636 -24.726 -6.587 1.00 43.13 H new ATOM 0 HD2 LYS B 41 39.474 -25.353 -7.121 1.00 25.43 H new ATOM 0 HD3 LYS B 41 39.036 -23.714 -7.557 1.00 25.43 H new ATOM 0 HE2 LYS B 41 38.300 -23.198 -5.341 1.00 71.12 H new ATOM 0 HE3 LYS B 41 38.240 -24.886 -4.876 1.00 71.12 H new ATOM 0 HZ1 LYS B 41 40.183 -23.794 -3.961 1.00 71.01 H new ATOM 0 HZ2 LYS B 41 40.659 -24.995 -5.063 1.00 71.01 H new ATOM 0 HZ3 LYS B 41 40.717 -23.359 -5.514 1.00 71.01 H new ATOM 1284 N LYS B 42 36.257 -29.102 -9.204 1.00 21.54 N ATOM 1285 CA LYS B 42 36.089 -30.549 -9.280 1.00 4.10 C ATOM 1286 C LYS B 42 36.211 -31.035 -10.721 1.00 72.03 C ATOM 1287 O LYS B 42 35.279 -30.902 -11.513 1.00 14.21 O ATOM 1288 CB LYS B 42 34.731 -30.955 -8.706 1.00 31.40 C ATOM 1289 CG LYS B 42 34.679 -32.395 -8.226 1.00 25.41 C ATOM 1290 CD LYS B 42 34.748 -32.482 -6.711 1.00 31.35 C ATOM 1291 CE LYS B 42 35.703 -33.575 -6.258 1.00 35.24 C ATOM 1292 NZ LYS B 42 35.026 -34.898 -6.163 1.00 52.23 N1+ ATOM 0 H LYS B 42 35.395 -28.571 -9.328 1.00 21.54 H new ATOM 0 HA LYS B 42 36.879 -31.014 -8.690 1.00 4.10 H new ATOM 0 HB2 LYS B 42 34.486 -30.295 -7.874 1.00 31.40 H new ATOM 0 HB3 LYS B 42 33.965 -30.807 -9.467 1.00 31.40 H new ATOM 0 HG2 LYS B 42 33.759 -32.863 -8.576 1.00 25.41 H new ATOM 0 HG3 LYS B 42 35.507 -32.954 -8.661 1.00 25.41 H new ATOM 0 HD2 LYS B 42 35.072 -31.524 -6.305 1.00 31.35 H new ATOM 0 HD3 LYS B 42 33.753 -32.678 -6.311 1.00 31.35 H new ATOM 0 HE2 LYS B 42 36.536 -33.643 -6.958 1.00 35.24 H new ATOM 0 HE3 LYS B 42 36.123 -33.311 -5.287 1.00 35.24 H new ATOM 0 HZ1 LYS B 42 35.710 -35.617 -5.851 1.00 52.23 H new ATOM 0 HZ2 LYS B 42 34.247 -34.841 -5.476 1.00 52.23 H new ATOM 0 HZ3 LYS B 42 34.647 -35.162 -7.095 1.00 52.23 H new ATOM 1306 N LYS B 43 37.366 -31.603 -11.052 1.00 0.51 N ATOM 1307 CA LYS B 43 37.610 -32.113 -12.396 1.00 0.04 C ATOM 1308 C LYS B 43 37.464 -31.005 -13.433 1.00 33.40 C ATOM 1309 O LYS B 43 38.441 -30.594 -14.060 1.00 23.41 O ATOM 1310 CB LYS B 43 36.642 -33.255 -12.714 1.00 2.50 C ATOM 1311 CG LYS B 43 37.334 -34.579 -12.988 1.00 4.20 C ATOM 1312 CD LYS B 43 37.351 -35.466 -11.754 1.00 35.43 C ATOM 1313 CE LYS B 43 36.177 -36.434 -11.748 1.00 12.12 C ATOM 1314 NZ LYS B 43 36.210 -37.338 -10.566 1.00 4.51 N1+ ATOM 0 H LYS B 43 38.148 -31.722 -10.408 1.00 0.51 H new ATOM 0 HA LYS B 43 38.632 -32.490 -12.435 1.00 0.04 H new ATOM 0 HB2 LYS B 43 35.954 -33.380 -11.878 1.00 2.50 H new ATOM 0 HB3 LYS B 43 36.043 -32.981 -13.582 1.00 2.50 H new ATOM 0 HG2 LYS B 43 36.824 -35.095 -13.801 1.00 4.20 H new ATOM 0 HG3 LYS B 43 38.356 -34.395 -13.319 1.00 4.20 H new ATOM 0 HD2 LYS B 43 38.286 -36.026 -11.720 1.00 35.43 H new ATOM 0 HD3 LYS B 43 37.317 -34.846 -10.858 1.00 35.43 H new ATOM 0 HE2 LYS B 43 35.243 -35.872 -11.749 1.00 12.12 H new ATOM 0 HE3 LYS B 43 36.192 -37.029 -12.661 1.00 12.12 H new ATOM 0 HZ1 LYS B 43 35.394 -37.982 -10.599 1.00 4.51 H new ATOM 0 HZ2 LYS B 43 37.090 -37.893 -10.578 1.00 4.51 H new ATOM 0 HZ3 LYS B 43 36.170 -36.772 -9.695 1.00 4.51 H new TER 1328 LYS B 43