USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 877 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 166:sc= -0.159 (180deg=-0.35) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -157:sc= -2.8! (180deg=-3.67) USER MOD Single : A 10 ASN : amide:sc= -4.23! C(o=-4.2!,f=-7.2!) USER MOD Single : A 11 CYS SG : rot -75:sc= -0.893 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -52:sc= 0.797 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -140:sc= -0.613 (180deg=-2.73!) USER MOD Single : A 33 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.77) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.646 USER MOD Single : A 35 LYS NZ :NH3+ 166:sc= -0.0694 (180deg=-0.253) USER MOD Single : A 40 LYS NZ :NH3+ 171:sc= -0.9 (180deg=-1.17) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= -0.399 (180deg=-0.511) USER MOD Single : A 45 ASN : amide:sc= 0.347 K(o=0.35,f=-2.5!) USER MOD Single : A 56 ASN : amide:sc= -0.0426 K(o=-0.043,f=-1.4!) USER MOD Single : A 58 CYS SG : rot -76:sc= -1.63! USER MOD Single : A 63 TYR OH : rot -41:sc= 1.79 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.0139 X(o=0.014,f=0) USER MOD Single : A 75 CYS SG : rot 160:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0835 K(o=-0.083,f=-1.1!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 86:sc= 1.24 USER MOD Single : A 87 TYR OH : rot 113:sc= 0.517 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 130:sc= -0.118 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 144:sc= 0.028 (180deg=-2.97!) USER MOD Single : A 97 LYS NZ :NH3+ -153:sc= -0.805 (180deg=-1.35) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 109 HIS : no HD1:sc= -0.648 K(o=-0.65,f=-1.2) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.930 -0.652 -0.458 1.00 70.22 N ATOM 19 CA ALA A 2 3.273 -1.848 -1.218 1.00 3.02 C ATOM 20 C ALA A 2 2.718 -3.101 -0.549 1.00 62.24 C ATOM 21 O ALA A 2 1.717 -3.662 -0.994 1.00 53.32 O ATOM 22 CB ALA A 2 4.782 -1.957 -1.377 1.00 45.22 C ATOM 0 HA ALA A 2 2.820 -1.764 -2.206 1.00 3.02 H new ATOM 0 HB1 ALA A 2 5.024 -2.854 -1.946 1.00 45.22 H new ATOM 0 HB2 ALA A 2 5.156 -1.080 -1.905 1.00 45.22 H new ATOM 0 HB3 ALA A 2 5.248 -2.015 -0.393 1.00 45.22 H new ATOM 28 N SER A 3 3.376 -3.536 0.521 1.00 72.12 N ATOM 29 CA SER A 3 2.950 -4.726 1.248 1.00 64.31 C ATOM 30 C SER A 3 1.748 -4.420 2.136 1.00 41.43 C ATOM 31 O SER A 3 1.158 -3.343 2.051 1.00 24.24 O ATOM 32 CB SER A 3 4.101 -5.269 2.098 1.00 71.03 C ATOM 33 OG SER A 3 4.080 -6.685 2.139 1.00 24.41 O ATOM 0 H SER A 3 4.206 -3.082 0.903 1.00 72.12 H new ATOM 0 HA SER A 3 2.657 -5.481 0.519 1.00 64.31 H new ATOM 0 HB2 SER A 3 5.052 -4.928 1.689 1.00 71.03 H new ATOM 0 HB3 SER A 3 4.029 -4.872 3.110 1.00 71.03 H new ATOM 0 HG SER A 3 4.826 -7.008 2.687 1.00 24.41 H new ATOM 39 N GLY A 4 1.390 -5.376 2.988 1.00 41.33 N ATOM 40 CA GLY A 4 0.260 -5.190 3.879 1.00 2.12 C ATOM 41 C GLY A 4 -0.962 -4.652 3.162 1.00 42.41 C ATOM 42 O GLY A 4 -1.651 -3.769 3.673 1.00 62.13 O ATOM 0 H GLY A 4 1.862 -6.276 3.077 1.00 41.33 H new ATOM 0 HA2 GLY A 4 0.012 -6.141 4.349 1.00 2.12 H new ATOM 0 HA3 GLY A 4 0.540 -4.503 4.678 1.00 2.12 H new ATOM 46 N MET A 5 -1.230 -5.183 1.974 1.00 55.23 N ATOM 47 CA MET A 5 -2.378 -4.749 1.185 1.00 61.21 C ATOM 48 C MET A 5 -3.656 -4.790 2.016 1.00 30.55 C ATOM 49 O MET A 5 -3.826 -5.662 2.868 1.00 73.23 O ATOM 50 CB MET A 5 -2.534 -5.631 -0.055 1.00 62.14 C ATOM 51 CG MET A 5 -1.233 -5.854 -0.810 1.00 53.21 C ATOM 52 SD MET A 5 -0.663 -7.562 -0.722 1.00 61.12 S ATOM 53 CE MET A 5 0.940 -7.345 0.048 1.00 54.22 C ATOM 0 H MET A 5 -0.669 -5.914 1.536 1.00 55.23 H new ATOM 0 HA MET A 5 -2.203 -3.720 0.871 1.00 61.21 H new ATOM 0 HB2 MET A 5 -2.941 -6.597 0.245 1.00 62.14 H new ATOM 0 HB3 MET A 5 -3.261 -5.174 -0.727 1.00 62.14 H new ATOM 0 HG2 MET A 5 -1.371 -5.575 -1.854 1.00 53.21 H new ATOM 0 HG3 MET A 5 -0.464 -5.197 -0.403 1.00 53.21 H new ATOM 0 HE1 MET A 5 1.576 -8.198 -0.189 1.00 54.22 H new ATOM 0 HE2 MET A 5 1.403 -6.432 -0.326 1.00 54.22 H new ATOM 0 HE3 MET A 5 0.818 -7.273 1.129 1.00 54.22 H new ATOM 63 N GLY A 6 -4.552 -3.841 1.764 1.00 73.21 N ATOM 64 CA GLY A 6 -5.803 -3.788 2.498 1.00 0.31 C ATOM 65 C GLY A 6 -6.989 -4.214 1.655 1.00 4.13 C ATOM 66 O GLY A 6 -7.493 -3.439 0.842 1.00 4.24 O ATOM 0 H GLY A 6 -4.434 -3.108 1.065 1.00 73.21 H new ATOM 0 HA2 GLY A 6 -5.734 -4.433 3.374 1.00 0.31 H new ATOM 0 HA3 GLY A 6 -5.965 -2.773 2.861 1.00 0.31 H new ATOM 70 N VAL A 7 -7.435 -5.451 1.848 1.00 72.25 N ATOM 71 CA VAL A 7 -8.569 -5.980 1.098 1.00 3.13 C ATOM 72 C VAL A 7 -9.880 -5.376 1.588 1.00 74.34 C ATOM 73 O VAL A 7 -10.324 -5.650 2.703 1.00 23.01 O ATOM 74 CB VAL A 7 -8.649 -7.514 1.210 1.00 1.00 C ATOM 75 CG1 VAL A 7 -7.516 -8.166 0.432 1.00 74.13 C ATOM 76 CG2 VAL A 7 -8.621 -7.944 2.669 1.00 1.30 C ATOM 0 H VAL A 7 -7.029 -6.106 2.517 1.00 72.25 H new ATOM 0 HA VAL A 7 -8.414 -5.707 0.054 1.00 3.13 H new ATOM 0 HB VAL A 7 -9.593 -7.844 0.776 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -7.589 -9.250 0.523 1.00 74.13 H new ATOM 0 HG12 VAL A 7 -7.587 -7.884 -0.619 1.00 74.13 H new ATOM 0 HG13 VAL A 7 -6.559 -7.832 0.834 1.00 74.13 H new ATOM 0 HG21 VAL A 7 -8.678 -9.031 2.729 1.00 1.30 H new ATOM 0 HG22 VAL A 7 -7.694 -7.603 3.131 1.00 1.30 H new ATOM 0 HG23 VAL A 7 -9.470 -7.506 3.194 1.00 1.30 H new ATOM 86 N ASP A 8 -10.497 -4.554 0.746 1.00 72.42 N ATOM 87 CA ASP A 8 -11.760 -3.912 1.092 1.00 72.45 C ATOM 88 C ASP A 8 -12.923 -4.566 0.351 1.00 23.42 C ATOM 89 O ASP A 8 -12.719 -5.323 -0.597 1.00 70.15 O ATOM 90 CB ASP A 8 -11.705 -2.420 0.763 1.00 40.23 C ATOM 91 CG ASP A 8 -12.573 -1.590 1.689 1.00 64.42 C ATOM 92 OD1 ASP A 8 -13.237 -2.180 2.566 1.00 33.54 O ATOM 93 OD2 ASP A 8 -12.586 -0.351 1.537 1.00 72.22 O ATOM 0 H ASP A 8 -10.143 -4.317 -0.181 1.00 72.42 H new ATOM 0 HA ASP A 8 -11.920 -4.034 2.163 1.00 72.45 H new ATOM 0 HB2 ASP A 8 -10.674 -2.074 0.830 1.00 40.23 H new ATOM 0 HB3 ASP A 8 -12.027 -2.266 -0.267 1.00 40.23 H new ATOM 98 N GLU A 9 -14.141 -4.270 0.793 1.00 40.53 N ATOM 99 CA GLU A 9 -15.335 -4.831 0.172 1.00 14.34 C ATOM 100 C GLU A 9 -15.480 -4.345 -1.267 1.00 15.31 C ATOM 101 O GLU A 9 -16.256 -4.898 -2.045 1.00 33.33 O ATOM 102 CB GLU A 9 -16.581 -4.453 0.978 1.00 65.54 C ATOM 103 CG GLU A 9 -16.653 -2.977 1.331 1.00 61.43 C ATOM 104 CD GLU A 9 -18.036 -2.394 1.117 1.00 10.34 C ATOM 105 OE1 GLU A 9 -19.024 -3.060 1.491 1.00 54.41 O ATOM 106 OE2 GLU A 9 -18.130 -1.272 0.577 1.00 14.00 O ATOM 0 H GLU A 9 -14.327 -3.646 1.578 1.00 40.53 H new ATOM 0 HA GLU A 9 -15.232 -5.916 0.162 1.00 14.34 H new ATOM 0 HB2 GLU A 9 -17.469 -4.725 0.407 1.00 65.54 H new ATOM 0 HB3 GLU A 9 -16.601 -5.039 1.897 1.00 65.54 H new ATOM 0 HG2 GLU A 9 -16.363 -2.842 2.373 1.00 61.43 H new ATOM 0 HG3 GLU A 9 -15.933 -2.427 0.725 1.00 61.43 H new ATOM 113 N ASN A 10 -14.728 -3.305 -1.613 1.00 20.31 N ATOM 114 CA ASN A 10 -14.773 -2.743 -2.958 1.00 31.11 C ATOM 115 C ASN A 10 -14.075 -3.663 -3.956 1.00 15.35 C ATOM 116 O ASN A 10 -14.577 -3.896 -5.056 1.00 42.21 O ATOM 117 CB ASN A 10 -14.118 -1.360 -2.977 1.00 71.54 C ATOM 118 CG ASN A 10 -15.044 -0.275 -2.463 1.00 42.10 C ATOM 119 OD1 ASN A 10 -15.206 0.769 -3.095 1.00 43.10 O ATOM 120 ND2 ASN A 10 -15.656 -0.517 -1.310 1.00 73.30 N ATOM 0 H ASN A 10 -14.080 -2.835 -0.981 1.00 20.31 H new ATOM 0 HA ASN A 10 -15.819 -2.647 -3.250 1.00 31.11 H new ATOM 0 HB2 ASN A 10 -13.214 -1.381 -2.368 1.00 71.54 H new ATOM 0 HB3 ASN A 10 -13.811 -1.120 -3.995 1.00 71.54 H new ATOM 0 HD21 ASN A 10 -16.290 0.177 -0.914 1.00 73.30 H new ATOM 0 HD22 ASN A 10 -15.492 -1.397 -0.820 1.00 73.30 H new ATOM 127 N CYS A 11 -12.918 -4.182 -3.563 1.00 63.31 N ATOM 128 CA CYS A 11 -12.151 -5.077 -4.423 1.00 5.22 C ATOM 129 C CYS A 11 -13.020 -6.223 -4.928 1.00 70.33 C ATOM 130 O CYS A 11 -12.790 -6.760 -6.012 1.00 52.54 O ATOM 131 CB CYS A 11 -10.942 -5.632 -3.667 1.00 51.23 C ATOM 132 SG CYS A 11 -11.307 -7.089 -2.660 1.00 45.34 S ATOM 0 H CYS A 11 -12.490 -3.999 -2.655 1.00 63.31 H new ATOM 0 HA CYS A 11 -11.802 -4.504 -5.282 1.00 5.22 H new ATOM 0 HB2 CYS A 11 -10.163 -5.886 -4.386 1.00 51.23 H new ATOM 0 HB3 CYS A 11 -10.539 -4.850 -3.023 1.00 51.23 H new ATOM 0 HG CYS A 11 -11.957 -6.728 -1.594 1.00 45.34 H new ATOM 138 N VAL A 12 -14.019 -6.596 -4.135 1.00 12.13 N ATOM 139 CA VAL A 12 -14.923 -7.679 -4.501 1.00 73.51 C ATOM 140 C VAL A 12 -16.108 -7.158 -5.306 1.00 53.00 C ATOM 141 O VAL A 12 -16.452 -7.708 -6.352 1.00 24.21 O ATOM 142 CB VAL A 12 -15.448 -8.418 -3.256 1.00 30.15 C ATOM 143 CG1 VAL A 12 -16.360 -9.566 -3.660 1.00 55.11 C ATOM 144 CG2 VAL A 12 -14.290 -8.921 -2.407 1.00 44.42 C ATOM 0 H VAL A 12 -14.223 -6.163 -3.234 1.00 12.13 H new ATOM 0 HA VAL A 12 -14.350 -8.376 -5.113 1.00 73.51 H new ATOM 0 HB VAL A 12 -16.030 -7.716 -2.658 1.00 30.15 H new ATOM 0 HG11 VAL A 12 -16.721 -10.076 -2.767 1.00 55.11 H new ATOM 0 HG12 VAL A 12 -17.208 -9.176 -4.223 1.00 55.11 H new ATOM 0 HG13 VAL A 12 -15.806 -10.270 -4.281 1.00 55.11 H new ATOM 0 HG21 VAL A 12 -14.680 -9.441 -1.532 1.00 44.42 H new ATOM 0 HG22 VAL A 12 -13.679 -9.607 -2.994 1.00 44.42 H new ATOM 0 HG23 VAL A 12 -13.680 -8.076 -2.086 1.00 44.42 H new ATOM 154 N ALA A 13 -16.730 -6.092 -4.811 1.00 63.52 N ATOM 155 CA ALA A 13 -17.875 -5.494 -5.486 1.00 32.53 C ATOM 156 C ALA A 13 -17.613 -5.340 -6.980 1.00 75.40 C ATOM 157 O ALA A 13 -18.483 -5.623 -7.804 1.00 60.24 O ATOM 158 CB ALA A 13 -18.209 -4.146 -4.865 1.00 24.15 C ATOM 0 H ALA A 13 -16.460 -5.625 -3.945 1.00 63.52 H new ATOM 0 HA ALA A 13 -18.728 -6.161 -5.360 1.00 32.53 H new ATOM 0 HB1 ALA A 13 -19.066 -3.711 -5.379 1.00 24.15 H new ATOM 0 HB2 ALA A 13 -18.448 -4.281 -3.810 1.00 24.15 H new ATOM 0 HB3 ALA A 13 -17.352 -3.479 -4.960 1.00 24.15 H new ATOM 164 N ARG A 14 -16.411 -4.890 -7.322 1.00 41.11 N ATOM 165 CA ARG A 14 -16.036 -4.696 -8.718 1.00 21.54 C ATOM 166 C ARG A 14 -16.023 -6.026 -9.466 1.00 42.03 C ATOM 167 O ARG A 14 -16.520 -6.123 -10.589 1.00 24.44 O ATOM 168 CB ARG A 14 -14.661 -4.033 -8.811 1.00 42.32 C ATOM 169 CG ARG A 14 -13.632 -4.626 -7.863 1.00 32.43 C ATOM 170 CD ARG A 14 -12.460 -5.232 -8.620 1.00 14.43 C ATOM 171 NE ARG A 14 -11.250 -5.285 -7.804 1.00 35.15 N ATOM 172 CZ ARG A 14 -10.282 -6.176 -7.983 1.00 44.12 C ATOM 173 NH1 ARG A 14 -10.380 -7.082 -8.946 1.00 31.43 N ATOM 174 NH2 ARG A 14 -9.211 -6.161 -7.200 1.00 1.44 N ATOM 0 H ARG A 14 -15.680 -4.653 -6.652 1.00 41.11 H new ATOM 0 HA ARG A 14 -16.778 -4.045 -9.181 1.00 21.54 H new ATOM 0 HB2 ARG A 14 -14.293 -4.121 -9.833 1.00 42.32 H new ATOM 0 HB3 ARG A 14 -14.766 -2.969 -8.600 1.00 42.32 H new ATOM 0 HG2 ARG A 14 -13.269 -3.851 -7.188 1.00 32.43 H new ATOM 0 HG3 ARG A 14 -14.103 -5.391 -7.246 1.00 32.43 H new ATOM 0 HD2 ARG A 14 -12.721 -6.239 -8.947 1.00 14.43 H new ATOM 0 HD3 ARG A 14 -12.266 -4.645 -9.518 1.00 14.43 H new ATOM 0 HE ARG A 14 -11.143 -4.600 -7.056 1.00 35.15 H new ATOM 0 HH11 ARG A 14 -11.201 -7.096 -9.552 1.00 31.43 H new ATOM 0 HH12 ARG A 14 -9.635 -7.765 -9.081 1.00 31.43 H new ATOM 0 HH21 ARG A 14 -9.130 -5.464 -6.459 1.00 1.44 H new ATOM 0 HH22 ARG A 14 -8.468 -6.846 -7.339 1.00 1.44 H new ATOM 188 N PHE A 15 -15.451 -7.048 -8.838 1.00 3.53 N ATOM 189 CA PHE A 15 -15.371 -8.371 -9.445 1.00 33.14 C ATOM 190 C PHE A 15 -16.755 -9.004 -9.552 1.00 35.33 C ATOM 191 O PHE A 15 -16.987 -9.879 -10.386 1.00 2.53 O ATOM 192 CB PHE A 15 -14.446 -9.275 -8.628 1.00 32.44 C ATOM 193 CG PHE A 15 -14.698 -10.741 -8.842 1.00 11.45 C ATOM 194 CD1 PHE A 15 -15.615 -11.421 -8.056 1.00 65.45 C ATOM 195 CD2 PHE A 15 -14.018 -11.437 -9.827 1.00 61.24 C ATOM 196 CE1 PHE A 15 -15.849 -12.770 -8.251 1.00 0.31 C ATOM 197 CE2 PHE A 15 -14.249 -12.785 -10.027 1.00 25.22 C ATOM 198 CZ PHE A 15 -15.164 -13.453 -9.237 1.00 12.42 C ATOM 0 H PHE A 15 -15.036 -6.985 -7.908 1.00 3.53 H new ATOM 0 HA PHE A 15 -14.963 -8.259 -10.450 1.00 33.14 H new ATOM 0 HB2 PHE A 15 -13.411 -9.051 -8.886 1.00 32.44 H new ATOM 0 HB3 PHE A 15 -14.567 -9.044 -7.570 1.00 32.44 H new ATOM 0 HD1 PHE A 15 -16.152 -10.892 -7.283 1.00 65.45 H new ATOM 0 HD2 PHE A 15 -13.299 -10.921 -10.446 1.00 61.24 H new ATOM 0 HE1 PHE A 15 -16.567 -13.289 -7.633 1.00 0.31 H new ATOM 0 HE2 PHE A 15 -13.714 -13.316 -10.801 1.00 25.22 H new ATOM 0 HZ PHE A 15 -15.343 -14.507 -9.390 1.00 12.42 H new ATOM 208 N ASN A 16 -17.672 -8.556 -8.700 1.00 52.12 N ATOM 209 CA ASN A 16 -19.034 -9.079 -8.698 1.00 4.25 C ATOM 210 C ASN A 16 -19.843 -8.495 -9.852 1.00 22.22 C ATOM 211 O ASN A 16 -20.913 -9.000 -10.189 1.00 41.05 O ATOM 212 CB ASN A 16 -19.721 -8.763 -7.367 1.00 62.24 C ATOM 213 CG ASN A 16 -20.444 -9.965 -6.791 1.00 55.12 C ATOM 214 OD1 ASN A 16 -19.867 -10.749 -6.039 1.00 24.52 O ATOM 215 ND2 ASN A 16 -21.716 -10.114 -7.143 1.00 73.10 N ATOM 0 H ASN A 16 -17.497 -7.833 -8.003 1.00 52.12 H new ATOM 0 HA ASN A 16 -18.982 -10.160 -8.825 1.00 4.25 H new ATOM 0 HB2 ASN A 16 -18.977 -8.412 -6.651 1.00 62.24 H new ATOM 0 HB3 ASN A 16 -20.432 -7.950 -7.512 1.00 62.24 H new ATOM 0 HD21 ASN A 16 -22.255 -10.904 -6.787 1.00 73.10 H new ATOM 0 HD22 ASN A 16 -22.154 -9.439 -7.770 1.00 73.10 H new ATOM 222 N GLU A 17 -19.323 -7.429 -10.453 1.00 23.53 N ATOM 223 CA GLU A 17 -19.997 -6.778 -11.569 1.00 14.50 C ATOM 224 C GLU A 17 -19.844 -7.594 -12.849 1.00 44.42 C ATOM 225 O GLU A 17 -20.829 -7.929 -13.508 1.00 12.34 O ATOM 226 CB GLU A 17 -19.439 -5.369 -11.779 1.00 4.41 C ATOM 227 CG GLU A 17 -19.241 -4.593 -10.487 1.00 75.32 C ATOM 228 CD GLU A 17 -20.481 -4.591 -9.613 1.00 42.34 C ATOM 229 OE1 GLU A 17 -20.777 -5.639 -9.002 1.00 1.31 O ATOM 230 OE2 GLU A 17 -21.154 -3.542 -9.541 1.00 53.22 O ATOM 0 H GLU A 17 -18.438 -6.999 -10.185 1.00 23.53 H new ATOM 0 HA GLU A 17 -21.058 -6.709 -11.328 1.00 14.50 H new ATOM 0 HB2 GLU A 17 -18.484 -5.440 -12.300 1.00 4.41 H new ATOM 0 HB3 GLU A 17 -20.116 -4.812 -12.427 1.00 4.41 H new ATOM 0 HG2 GLU A 17 -18.410 -5.026 -9.931 1.00 75.32 H new ATOM 0 HG3 GLU A 17 -18.966 -3.565 -10.723 1.00 75.32 H new ATOM 237 N LEU A 18 -18.601 -7.910 -13.197 1.00 1.55 N ATOM 238 CA LEU A 18 -18.316 -8.686 -14.398 1.00 53.03 C ATOM 239 C LEU A 18 -18.885 -10.097 -14.282 1.00 45.24 C ATOM 240 O LEU A 18 -19.161 -10.751 -15.288 1.00 22.31 O ATOM 241 CB LEU A 18 -16.808 -8.750 -14.643 1.00 24.05 C ATOM 242 CG LEU A 18 -15.957 -9.234 -13.467 1.00 54.42 C ATOM 243 CD1 LEU A 18 -15.303 -10.567 -13.795 1.00 3.41 C ATOM 244 CD2 LEU A 18 -14.905 -8.195 -13.107 1.00 52.11 C ATOM 0 H LEU A 18 -17.774 -7.640 -12.664 1.00 1.55 H new ATOM 0 HA LEU A 18 -18.793 -8.190 -15.243 1.00 53.03 H new ATOM 0 HB2 LEU A 18 -16.626 -9.408 -15.493 1.00 24.05 H new ATOM 0 HB3 LEU A 18 -16.464 -7.756 -14.930 1.00 24.05 H new ATOM 0 HG LEU A 18 -16.609 -9.375 -12.605 1.00 54.42 H new ATOM 0 HD11 LEU A 18 -14.702 -10.896 -12.947 1.00 3.41 H new ATOM 0 HD12 LEU A 18 -16.074 -11.309 -14.003 1.00 3.41 H new ATOM 0 HD13 LEU A 18 -14.664 -10.453 -14.671 1.00 3.41 H new ATOM 0 HD21 LEU A 18 -14.309 -8.556 -12.269 1.00 52.11 H new ATOM 0 HD22 LEU A 18 -14.256 -8.022 -13.965 1.00 52.11 H new ATOM 0 HD23 LEU A 18 -15.395 -7.262 -12.829 1.00 52.11 H new ATOM 256 N LYS A 19 -19.059 -10.559 -13.049 1.00 61.31 N ATOM 257 CA LYS A 19 -19.598 -11.891 -12.800 1.00 2.02 C ATOM 258 C LYS A 19 -21.122 -11.878 -12.846 1.00 74.40 C ATOM 259 O LYS A 19 -21.751 -12.883 -13.181 1.00 24.23 O ATOM 260 CB LYS A 19 -19.122 -12.410 -11.441 1.00 14.11 C ATOM 261 CG LYS A 19 -19.008 -13.923 -11.374 1.00 5.12 C ATOM 262 CD LYS A 19 -19.108 -14.427 -9.944 1.00 11.01 C ATOM 263 CE LYS A 19 -19.389 -15.921 -9.898 1.00 62.10 C ATOM 264 NZ LYS A 19 -20.303 -16.280 -8.778 1.00 44.33 N ATOM 0 H LYS A 19 -18.835 -10.031 -12.206 1.00 61.31 H new ATOM 0 HA LYS A 19 -19.234 -12.556 -13.584 1.00 2.02 H new ATOM 0 HB2 LYS A 19 -18.151 -11.970 -11.213 1.00 14.11 H new ATOM 0 HB3 LYS A 19 -19.814 -12.072 -10.670 1.00 14.11 H new ATOM 0 HG2 LYS A 19 -19.796 -14.375 -11.976 1.00 5.12 H new ATOM 0 HG3 LYS A 19 -18.058 -14.237 -11.806 1.00 5.12 H new ATOM 0 HD2 LYS A 19 -18.178 -14.214 -9.416 1.00 11.01 H new ATOM 0 HD3 LYS A 19 -19.901 -13.890 -9.423 1.00 11.01 H new ATOM 0 HE2 LYS A 19 -19.831 -16.236 -10.843 1.00 62.10 H new ATOM 0 HE3 LYS A 19 -18.450 -16.464 -9.789 1.00 62.10 H new ATOM 0 HZ1 LYS A 19 -20.469 -17.307 -8.781 1.00 44.33 H new ATOM 0 HZ2 LYS A 19 -19.870 -16.002 -7.874 1.00 44.33 H new ATOM 0 HZ3 LYS A 19 -21.208 -15.782 -8.896 1.00 44.33 H new ATOM 278 N ILE A 20 -21.711 -10.735 -12.510 1.00 25.54 N ATOM 279 CA ILE A 20 -23.161 -10.593 -12.516 1.00 11.33 C ATOM 280 C ILE A 20 -23.642 -9.920 -13.797 1.00 70.41 C ATOM 281 O ILE A 20 -24.843 -9.761 -14.013 1.00 54.22 O ATOM 282 CB ILE A 20 -23.651 -9.776 -11.306 1.00 14.24 C ATOM 283 CG1 ILE A 20 -25.148 -10.004 -11.081 1.00 44.01 C ATOM 284 CG2 ILE A 20 -23.361 -8.297 -11.512 1.00 43.21 C ATOM 285 CD1 ILE A 20 -25.617 -9.618 -9.696 1.00 3.51 C ATOM 0 H ILE A 20 -21.206 -9.894 -12.230 1.00 25.54 H new ATOM 0 HA ILE A 20 -23.577 -11.599 -12.458 1.00 11.33 H new ATOM 0 HB ILE A 20 -23.114 -10.112 -10.419 1.00 14.24 H new ATOM 0 HG12 ILE A 20 -25.709 -9.431 -11.819 1.00 44.01 H new ATOM 0 HG13 ILE A 20 -25.377 -11.056 -11.253 1.00 44.01 H new ATOM 0 HG21 ILE A 20 -23.713 -7.733 -10.648 1.00 43.21 H new ATOM 0 HG22 ILE A 20 -22.287 -8.149 -11.628 1.00 43.21 H new ATOM 0 HG23 ILE A 20 -23.874 -7.947 -12.408 1.00 43.21 H new ATOM 0 HD11 ILE A 20 -26.687 -9.806 -9.609 1.00 3.51 H new ATOM 0 HD12 ILE A 20 -25.082 -10.210 -8.953 1.00 3.51 H new ATOM 0 HD13 ILE A 20 -25.420 -8.559 -9.527 1.00 3.51 H new ATOM 297 N ARG A 21 -22.696 -9.530 -14.645 1.00 1.11 N ATOM 298 CA ARG A 21 -23.023 -8.875 -15.906 1.00 21.41 C ATOM 299 C ARG A 21 -22.549 -9.711 -17.091 1.00 73.52 C ATOM 300 O ARG A 21 -23.242 -9.823 -18.103 1.00 11.01 O ATOM 301 CB ARG A 21 -22.388 -7.485 -15.963 1.00 1.31 C ATOM 302 CG ARG A 21 -23.032 -6.482 -15.019 1.00 63.13 C ATOM 303 CD ARG A 21 -24.505 -6.284 -15.338 1.00 53.21 C ATOM 304 NE ARG A 21 -25.366 -7.083 -14.470 1.00 65.51 N ATOM 305 CZ ARG A 21 -26.662 -6.848 -14.302 1.00 31.41 C ATOM 306 NH1 ARG A 21 -27.245 -5.843 -14.939 1.00 40.45 N ATOM 307 NH2 ARG A 21 -27.378 -7.621 -13.495 1.00 54.30 N ATOM 0 H ARG A 21 -21.697 -9.656 -14.482 1.00 1.11 H new ATOM 0 HA ARG A 21 -24.107 -8.774 -15.964 1.00 21.41 H new ATOM 0 HB2 ARG A 21 -21.328 -7.569 -15.723 1.00 1.31 H new ATOM 0 HB3 ARG A 21 -22.454 -7.106 -16.983 1.00 1.31 H new ATOM 0 HG2 ARG A 21 -22.924 -6.827 -13.991 1.00 63.13 H new ATOM 0 HG3 ARG A 21 -22.511 -5.527 -15.091 1.00 63.13 H new ATOM 0 HD2 ARG A 21 -24.760 -5.230 -15.231 1.00 53.21 H new ATOM 0 HD3 ARG A 21 -24.690 -6.552 -16.378 1.00 53.21 H new ATOM 0 HE ARG A 21 -24.949 -7.865 -13.965 1.00 65.51 H new ATOM 0 HH11 ARG A 21 -26.698 -5.247 -15.561 1.00 40.45 H new ATOM 0 HH12 ARG A 21 -28.241 -5.665 -14.808 1.00 40.45 H new ATOM 0 HH21 ARG A 21 -26.933 -8.396 -13.004 1.00 54.30 H new ATOM 0 HH22 ARG A 21 -28.374 -7.440 -13.366 1.00 54.30 H new ATOM 321 N LYS A 22 -21.364 -10.297 -16.959 1.00 60.24 N ATOM 322 CA LYS A 22 -20.797 -11.124 -18.018 1.00 24.01 C ATOM 323 C LYS A 22 -20.693 -10.342 -19.323 1.00 53.41 C ATOM 324 O LYS A 22 -20.500 -10.920 -20.393 1.00 24.21 O ATOM 325 CB LYS A 22 -21.650 -12.377 -18.228 1.00 15.50 C ATOM 326 CG LYS A 22 -21.306 -13.513 -17.281 1.00 72.33 C ATOM 327 CD LYS A 22 -22.099 -14.768 -17.605 1.00 70.43 C ATOM 328 CE LYS A 22 -23.064 -15.123 -16.484 1.00 63.21 C ATOM 329 NZ LYS A 22 -23.738 -16.429 -16.725 1.00 0.10 N ATOM 0 H LYS A 22 -20.777 -10.215 -16.129 1.00 60.24 H new ATOM 0 HA LYS A 22 -19.794 -11.422 -17.713 1.00 24.01 H new ATOM 0 HB2 LYS A 22 -22.701 -12.116 -18.102 1.00 15.50 H new ATOM 0 HB3 LYS A 22 -21.528 -12.722 -19.255 1.00 15.50 H new ATOM 0 HG2 LYS A 22 -20.239 -13.729 -17.343 1.00 72.33 H new ATOM 0 HG3 LYS A 22 -21.510 -13.207 -16.255 1.00 72.33 H new ATOM 0 HD2 LYS A 22 -22.654 -14.620 -18.531 1.00 70.43 H new ATOM 0 HD3 LYS A 22 -21.414 -15.599 -17.774 1.00 70.43 H new ATOM 0 HE2 LYS A 22 -22.523 -15.162 -15.538 1.00 63.21 H new ATOM 0 HE3 LYS A 22 -23.815 -14.339 -16.389 1.00 63.21 H new ATOM 0 HZ1 LYS A 22 -24.387 -16.635 -15.939 1.00 0.10 H new ATOM 0 HZ2 LYS A 22 -24.275 -16.384 -17.615 1.00 0.10 H new ATOM 0 HZ3 LYS A 22 -23.023 -17.182 -16.790 1.00 0.10 H new ATOM 343 N THR A 23 -20.822 -9.022 -19.229 1.00 12.34 N ATOM 344 CA THR A 23 -20.743 -8.160 -20.401 1.00 60.13 C ATOM 345 C THR A 23 -19.600 -7.160 -20.273 1.00 24.13 C ATOM 346 O THR A 23 -19.589 -6.125 -20.939 1.00 10.24 O ATOM 347 CB THR A 23 -22.059 -7.392 -20.624 1.00 13.42 C ATOM 348 OG1 THR A 23 -22.989 -7.700 -19.580 1.00 32.15 O ATOM 349 CG2 THR A 23 -22.669 -7.742 -21.973 1.00 32.23 C ATOM 0 H THR A 23 -20.982 -8.527 -18.352 1.00 12.34 H new ATOM 0 HA THR A 23 -20.560 -8.809 -21.258 1.00 60.13 H new ATOM 0 HB THR A 23 -21.837 -6.325 -20.610 1.00 13.42 H new ATOM 0 HG1 THR A 23 -23.073 -8.673 -19.493 1.00 32.15 H new ATOM 0 HG21 THR A 23 -23.598 -7.187 -22.107 1.00 32.23 H new ATOM 0 HG22 THR A 23 -21.971 -7.479 -22.767 1.00 32.23 H new ATOM 0 HG23 THR A 23 -22.876 -8.811 -22.012 1.00 32.23 H new ATOM 357 N VAL A 24 -18.637 -7.476 -19.412 1.00 61.44 N ATOM 358 CA VAL A 24 -17.487 -6.606 -19.198 1.00 10.01 C ATOM 359 C VAL A 24 -17.907 -5.289 -18.555 1.00 30.13 C ATOM 360 O VAL A 24 -18.224 -4.321 -19.246 1.00 4.41 O ATOM 361 CB VAL A 24 -16.754 -6.308 -20.519 1.00 70.44 C ATOM 362 CG1 VAL A 24 -15.750 -5.182 -20.331 1.00 42.43 C ATOM 363 CG2 VAL A 24 -16.069 -7.562 -21.042 1.00 73.24 C ATOM 0 H VAL A 24 -18.631 -8.328 -18.852 1.00 61.44 H new ATOM 0 HA VAL A 24 -16.810 -7.136 -18.528 1.00 10.01 H new ATOM 0 HB VAL A 24 -17.489 -5.987 -21.258 1.00 70.44 H new ATOM 0 HG11 VAL A 24 -15.242 -4.986 -21.275 1.00 42.43 H new ATOM 0 HG12 VAL A 24 -16.270 -4.281 -20.005 1.00 42.43 H new ATOM 0 HG13 VAL A 24 -15.017 -5.470 -19.578 1.00 42.43 H new ATOM 0 HG21 VAL A 24 -15.556 -7.334 -21.976 1.00 73.24 H new ATOM 0 HG22 VAL A 24 -15.345 -7.915 -20.307 1.00 73.24 H new ATOM 0 HG23 VAL A 24 -16.815 -8.337 -21.218 1.00 73.24 H new ATOM 373 N LYS A 25 -17.907 -5.259 -17.226 1.00 74.54 N ATOM 374 CA LYS A 25 -18.287 -4.061 -16.487 1.00 64.14 C ATOM 375 C LYS A 25 -17.108 -3.100 -16.368 1.00 31.14 C ATOM 376 O LYS A 25 -17.163 -2.127 -15.616 1.00 22.15 O ATOM 377 CB LYS A 25 -18.796 -4.436 -15.094 1.00 32.10 C ATOM 378 CG LYS A 25 -19.534 -3.309 -14.393 1.00 33.04 C ATOM 379 CD LYS A 25 -21.040 -3.509 -14.448 1.00 44.21 C ATOM 380 CE LYS A 25 -21.777 -2.397 -13.718 1.00 2.32 C ATOM 381 NZ LYS A 25 -22.739 -2.934 -12.716 1.00 4.32 N ATOM 0 H LYS A 25 -17.648 -6.052 -16.639 1.00 74.54 H new ATOM 0 HA LYS A 25 -19.086 -3.563 -17.036 1.00 64.14 H new ATOM 0 HB2 LYS A 25 -19.460 -5.297 -15.178 1.00 32.10 H new ATOM 0 HB3 LYS A 25 -17.951 -4.744 -14.478 1.00 32.10 H new ATOM 0 HG2 LYS A 25 -19.211 -3.253 -13.353 1.00 33.04 H new ATOM 0 HG3 LYS A 25 -19.275 -2.358 -14.859 1.00 33.04 H new ATOM 0 HD2 LYS A 25 -21.366 -3.542 -15.488 1.00 44.21 H new ATOM 0 HD3 LYS A 25 -21.297 -4.470 -14.003 1.00 44.21 H new ATOM 0 HE2 LYS A 25 -21.056 -1.750 -13.219 1.00 2.32 H new ATOM 0 HE3 LYS A 25 -22.312 -1.780 -14.441 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 -23.221 -2.145 -12.240 1.00 4.32 H new ATOM 0 HZ2 LYS A 25 -23.443 -3.531 -13.196 1.00 4.32 H new ATOM 0 HZ3 LYS A 25 -22.226 -3.502 -12.012 1.00 4.32 H new ATOM 395 N TRP A 26 -16.046 -3.379 -17.114 1.00 4.40 N ATOM 396 CA TRP A 26 -14.854 -2.537 -17.092 1.00 34.21 C ATOM 397 C TRP A 26 -14.726 -1.810 -15.758 1.00 14.10 C ATOM 398 O TRP A 26 -14.894 -0.592 -15.686 1.00 61.13 O ATOM 399 CB TRP A 26 -14.899 -1.524 -18.237 1.00 32.11 C ATOM 400 CG TRP A 26 -15.711 -0.305 -17.920 1.00 14.00 C ATOM 401 CD1 TRP A 26 -17.048 -0.260 -17.641 1.00 24.11 C ATOM 402 CD2 TRP A 26 -15.240 1.045 -17.852 1.00 3.13 C ATOM 403 NE1 TRP A 26 -17.435 1.037 -17.403 1.00 61.33 N ATOM 404 CE2 TRP A 26 -16.344 1.856 -17.526 1.00 12.34 C ATOM 405 CE3 TRP A 26 -13.992 1.647 -18.032 1.00 42.42 C ATOM 406 CZ2 TRP A 26 -16.236 3.237 -17.378 1.00 61.53 C ATOM 407 CZ3 TRP A 26 -13.886 3.017 -17.886 1.00 10.41 C ATOM 408 CH2 TRP A 26 -15.002 3.800 -17.561 1.00 32.32 C ATOM 0 H TRP A 26 -15.985 -4.181 -17.741 1.00 4.40 H new ATOM 0 HA TRP A 26 -13.983 -3.180 -17.219 1.00 34.21 H new ATOM 0 HB2 TRP A 26 -13.882 -1.220 -18.484 1.00 32.11 H new ATOM 0 HB3 TRP A 26 -15.312 -2.006 -19.123 1.00 32.11 H new ATOM 0 HD1 TRP A 26 -17.704 -1.117 -17.612 1.00 24.11 H new ATOM 0 HE1 TRP A 26 -18.381 1.340 -17.172 1.00 61.33 H new ATOM 0 HE3 TRP A 26 -13.126 1.052 -18.281 1.00 42.42 H new ATOM 0 HZ2 TRP A 26 -17.095 3.842 -17.128 1.00 61.53 H new ATOM 0 HZ3 TRP A 26 -12.926 3.493 -18.025 1.00 10.41 H new ATOM 0 HH2 TRP A 26 -14.886 4.868 -17.453 1.00 32.32 H new ATOM 419 N ILE A 27 -14.429 -2.563 -14.705 1.00 24.04 N ATOM 420 CA ILE A 27 -14.277 -1.988 -13.374 1.00 31.34 C ATOM 421 C ILE A 27 -12.812 -1.702 -13.062 1.00 31.21 C ATOM 422 O ILE A 27 -11.976 -2.605 -13.074 1.00 23.43 O ATOM 423 CB ILE A 27 -14.848 -2.921 -12.289 1.00 73.13 C ATOM 424 CG1 ILE A 27 -16.028 -3.722 -12.844 1.00 53.52 C ATOM 425 CG2 ILE A 27 -15.273 -2.117 -11.070 1.00 33.35 C ATOM 426 CD1 ILE A 27 -15.645 -5.099 -13.338 1.00 32.24 C ATOM 0 H ILE A 27 -14.289 -3.572 -14.747 1.00 24.04 H new ATOM 0 HA ILE A 27 -14.836 -1.053 -13.369 1.00 31.34 H new ATOM 0 HB ILE A 27 -14.069 -3.621 -11.985 1.00 73.13 H new ATOM 0 HG12 ILE A 27 -16.786 -3.822 -12.067 1.00 53.52 H new ATOM 0 HG13 ILE A 27 -16.482 -3.164 -13.663 1.00 53.52 H new ATOM 0 HG21 ILE A 27 -15.674 -2.790 -10.312 1.00 33.35 H new ATOM 0 HG22 ILE A 27 -14.411 -1.587 -10.665 1.00 33.35 H new ATOM 0 HG23 ILE A 27 -16.039 -1.397 -11.358 1.00 33.35 H new ATOM 0 HD11 ILE A 27 -16.531 -5.609 -13.717 1.00 32.24 H new ATOM 0 HD12 ILE A 27 -14.909 -5.007 -14.137 1.00 32.24 H new ATOM 0 HD13 ILE A 27 -15.219 -5.675 -12.517 1.00 32.24 H new ATOM 438 N VAL A 28 -12.508 -0.439 -12.781 1.00 52.14 N ATOM 439 CA VAL A 28 -11.144 -0.033 -12.463 1.00 74.21 C ATOM 440 C VAL A 28 -10.969 0.175 -10.963 1.00 63.51 C ATOM 441 O VAL A 28 -11.437 1.166 -10.404 1.00 12.24 O ATOM 442 CB VAL A 28 -10.759 1.264 -13.199 1.00 4.05 C ATOM 443 CG1 VAL A 28 -9.349 1.694 -12.820 1.00 73.54 C ATOM 444 CG2 VAL A 28 -10.883 1.080 -14.703 1.00 71.04 C ATOM 0 H VAL A 28 -13.188 0.321 -12.767 1.00 52.14 H new ATOM 0 HA VAL A 28 -10.488 -0.838 -12.794 1.00 74.21 H new ATOM 0 HB VAL A 28 -11.448 2.052 -12.895 1.00 4.05 H new ATOM 0 HG11 VAL A 28 -9.094 2.612 -13.349 1.00 73.54 H new ATOM 0 HG12 VAL A 28 -9.298 1.869 -11.745 1.00 73.54 H new ATOM 0 HG13 VAL A 28 -8.643 0.909 -13.093 1.00 73.54 H new ATOM 0 HG21 VAL A 28 -10.607 2.006 -15.207 1.00 71.04 H new ATOM 0 HG22 VAL A 28 -10.219 0.279 -15.027 1.00 71.04 H new ATOM 0 HG23 VAL A 28 -11.912 0.823 -14.954 1.00 71.04 H new ATOM 454 N PHE A 29 -10.290 -0.767 -10.316 1.00 60.44 N ATOM 455 CA PHE A 29 -10.052 -0.688 -8.880 1.00 32.32 C ATOM 456 C PHE A 29 -8.686 -0.075 -8.588 1.00 10.34 C ATOM 457 O PHE A 29 -7.667 -0.519 -9.116 1.00 63.21 O ATOM 458 CB PHE A 29 -10.145 -2.079 -8.249 1.00 24.21 C ATOM 459 CG PHE A 29 -9.268 -3.100 -8.917 1.00 14.10 C ATOM 460 CD1 PHE A 29 -9.725 -3.813 -10.014 1.00 1.13 C ATOM 461 CD2 PHE A 29 -7.988 -3.347 -8.448 1.00 12.23 C ATOM 462 CE1 PHE A 29 -8.921 -4.753 -10.631 1.00 50.31 C ATOM 463 CE2 PHE A 29 -7.180 -4.285 -9.061 1.00 43.02 C ATOM 464 CZ PHE A 29 -7.647 -4.990 -10.153 1.00 51.44 C ATOM 0 H PHE A 29 -9.895 -1.594 -10.764 1.00 60.44 H new ATOM 0 HA PHE A 29 -10.819 -0.047 -8.445 1.00 32.32 H new ATOM 0 HB2 PHE A 29 -9.872 -2.011 -7.196 1.00 24.21 H new ATOM 0 HB3 PHE A 29 -11.180 -2.419 -8.289 1.00 24.21 H new ATOM 0 HD1 PHE A 29 -10.721 -3.632 -10.391 1.00 1.13 H new ATOM 0 HD2 PHE A 29 -7.618 -2.800 -7.594 1.00 12.23 H new ATOM 0 HE1 PHE A 29 -9.289 -5.301 -11.486 1.00 50.31 H new ATOM 0 HE2 PHE A 29 -6.184 -4.467 -8.686 1.00 43.02 H new ATOM 0 HZ PHE A 29 -7.017 -5.725 -10.632 1.00 51.44 H new ATOM 474 N LYS A 30 -8.673 0.950 -7.742 1.00 52.44 N ATOM 475 CA LYS A 30 -7.434 1.626 -7.378 1.00 1.53 C ATOM 476 C LYS A 30 -7.059 1.332 -5.929 1.00 32.52 C ATOM 477 O LYS A 30 -7.847 1.572 -5.013 1.00 44.32 O ATOM 478 CB LYS A 30 -7.573 3.137 -7.582 1.00 75.32 C ATOM 479 CG LYS A 30 -6.716 3.960 -6.637 1.00 15.35 C ATOM 480 CD LYS A 30 -7.528 4.489 -5.466 1.00 52.51 C ATOM 481 CE LYS A 30 -6.665 4.676 -4.228 1.00 44.51 C ATOM 482 NZ LYS A 30 -6.066 6.039 -4.170 1.00 32.12 N ATOM 0 H LYS A 30 -9.507 1.331 -7.296 1.00 52.44 H new ATOM 0 HA LYS A 30 -6.641 1.249 -8.025 1.00 1.53 H new ATOM 0 HB2 LYS A 30 -7.304 3.383 -8.609 1.00 75.32 H new ATOM 0 HB3 LYS A 30 -8.618 3.418 -7.450 1.00 75.32 H new ATOM 0 HG2 LYS A 30 -5.894 3.349 -6.264 1.00 15.35 H new ATOM 0 HG3 LYS A 30 -6.272 4.795 -7.180 1.00 15.35 H new ATOM 0 HD2 LYS A 30 -7.985 5.440 -5.739 1.00 52.51 H new ATOM 0 HD3 LYS A 30 -8.340 3.797 -5.243 1.00 52.51 H new ATOM 0 HE2 LYS A 30 -7.268 4.506 -3.336 1.00 44.51 H new ATOM 0 HE3 LYS A 30 -5.871 3.930 -4.223 1.00 44.51 H new ATOM 0 HZ1 LYS A 30 -5.086 5.973 -3.828 1.00 32.12 H new ATOM 0 HZ2 LYS A 30 -6.074 6.462 -5.120 1.00 32.12 H new ATOM 0 HZ3 LYS A 30 -6.619 6.634 -3.521 1.00 32.12 H new ATOM 496 N ILE A 31 -5.853 0.811 -5.729 1.00 33.24 N ATOM 497 CA ILE A 31 -5.374 0.486 -4.391 1.00 15.13 C ATOM 498 C ILE A 31 -4.767 1.709 -3.713 1.00 4.15 C ATOM 499 O ILE A 31 -3.735 2.221 -4.145 1.00 2.51 O ATOM 500 CB ILE A 31 -4.326 -0.641 -4.426 1.00 60.43 C ATOM 501 CG1 ILE A 31 -3.205 -0.295 -5.409 1.00 15.22 C ATOM 502 CG2 ILE A 31 -4.980 -1.962 -4.805 1.00 55.41 C ATOM 503 CD1 ILE A 31 -1.832 -0.271 -4.775 1.00 71.53 C ATOM 0 H ILE A 31 -5.190 0.605 -6.476 1.00 33.24 H new ATOM 0 HA ILE A 31 -6.239 0.148 -3.820 1.00 15.13 H new ATOM 0 HB ILE A 31 -3.893 -0.744 -3.431 1.00 60.43 H new ATOM 0 HG12 ILE A 31 -3.208 -1.021 -6.222 1.00 15.22 H new ATOM 0 HG13 ILE A 31 -3.409 0.680 -5.852 1.00 15.22 H new ATOM 0 HG21 ILE A 31 -4.226 -2.749 -4.825 1.00 55.41 H new ATOM 0 HG22 ILE A 31 -5.746 -2.213 -4.071 1.00 55.41 H new ATOM 0 HG23 ILE A 31 -5.437 -1.872 -5.790 1.00 55.41 H new ATOM 0 HD11 ILE A 31 -1.087 -0.019 -5.530 1.00 71.53 H new ATOM 0 HD12 ILE A 31 -1.811 0.475 -3.981 1.00 71.53 H new ATOM 0 HD13 ILE A 31 -1.607 -1.252 -4.357 1.00 71.53 H new ATOM 515 N GLU A 32 -5.413 2.170 -2.646 1.00 51.44 N ATOM 516 CA GLU A 32 -4.935 3.333 -1.908 1.00 3.13 C ATOM 517 C GLU A 32 -3.803 2.947 -0.959 1.00 54.31 C ATOM 518 O GLU A 32 -3.270 1.841 -1.030 1.00 0.10 O ATOM 519 CB GLU A 32 -6.081 3.971 -1.120 1.00 4.23 C ATOM 520 CG GLU A 32 -6.063 5.490 -1.142 1.00 41.43 C ATOM 521 CD GLU A 32 -5.968 6.093 0.246 1.00 52.53 C ATOM 522 OE1 GLU A 32 -6.687 5.617 1.149 1.00 12.21 O ATOM 523 OE2 GLU A 32 -5.176 7.041 0.429 1.00 41.13 O ATOM 0 H GLU A 32 -6.268 1.756 -2.274 1.00 51.44 H new ATOM 0 HA GLU A 32 -4.552 4.056 -2.628 1.00 3.13 H new ATOM 0 HB2 GLU A 32 -7.030 3.621 -1.527 1.00 4.23 H new ATOM 0 HB3 GLU A 32 -6.033 3.630 -0.086 1.00 4.23 H new ATOM 0 HG2 GLU A 32 -5.218 5.831 -1.741 1.00 41.43 H new ATOM 0 HG3 GLU A 32 -6.967 5.853 -1.631 1.00 41.43 H new ATOM 530 N ASN A 33 -3.443 3.869 -0.072 1.00 2.00 N ATOM 531 CA ASN A 33 -2.374 3.627 0.891 1.00 72.35 C ATOM 532 C ASN A 33 -2.770 2.534 1.879 1.00 11.33 C ATOM 533 O ASN A 33 -3.363 2.810 2.923 1.00 41.41 O ATOM 534 CB ASN A 33 -2.037 4.915 1.644 1.00 23.43 C ATOM 535 CG ASN A 33 -1.970 6.121 0.727 1.00 30.33 C ATOM 536 OD1 ASN A 33 -1.603 6.006 -0.442 1.00 71.42 O ATOM 537 ND2 ASN A 33 -2.325 7.286 1.256 1.00 73.11 N ATOM 0 H ASN A 33 -3.875 4.790 0.000 1.00 2.00 H new ATOM 0 HA ASN A 33 -1.493 3.294 0.343 1.00 72.35 H new ATOM 0 HB2 ASN A 33 -2.788 5.089 2.414 1.00 23.43 H new ATOM 0 HB3 ASN A 33 -1.080 4.795 2.153 1.00 23.43 H new ATOM 0 HD21 ASN A 33 -2.300 8.133 0.688 1.00 73.11 H new ATOM 0 HD22 ASN A 33 -2.623 7.334 2.230 1.00 73.11 H new ATOM 544 N THR A 34 -2.438 1.291 1.544 1.00 2.42 N ATOM 545 CA THR A 34 -2.758 0.157 2.401 1.00 15.12 C ATOM 546 C THR A 34 -4.257 -0.122 2.406 1.00 11.23 C ATOM 547 O THR A 34 -4.858 -0.327 3.461 1.00 24.13 O ATOM 548 CB THR A 34 -2.287 0.395 3.848 1.00 12.32 C ATOM 549 OG1 THR A 34 -1.238 1.369 3.868 1.00 43.34 O ATOM 550 CG2 THR A 34 -1.796 -0.900 4.477 1.00 2.44 C ATOM 0 H THR A 34 -1.947 1.045 0.684 1.00 2.42 H new ATOM 0 HA THR A 34 -2.231 -0.706 1.993 1.00 15.12 H new ATOM 0 HB THR A 34 -3.134 0.763 4.427 1.00 12.32 H new ATOM 0 HG1 THR A 34 -0.945 1.516 4.792 1.00 43.34 H new ATOM 0 HG21 THR A 34 -1.469 -0.707 5.499 1.00 2.44 H new ATOM 0 HG22 THR A 34 -2.606 -1.629 4.487 1.00 2.44 H new ATOM 0 HG23 THR A 34 -0.961 -1.293 3.897 1.00 2.44 H new ATOM 558 N LYS A 35 -4.857 -0.129 1.221 1.00 41.53 N ATOM 559 CA LYS A 35 -6.286 -0.384 1.087 1.00 32.42 C ATOM 560 C LYS A 35 -6.684 -0.499 -0.381 1.00 3.50 C ATOM 561 O LYS A 35 -5.945 -0.070 -1.268 1.00 72.55 O ATOM 562 CB LYS A 35 -7.090 0.731 1.759 1.00 42.41 C ATOM 563 CG LYS A 35 -8.570 0.418 1.894 1.00 2.05 C ATOM 564 CD LYS A 35 -8.797 -0.891 2.631 1.00 34.31 C ATOM 565 CE LYS A 35 -8.138 -0.882 4.002 1.00 52.42 C ATOM 566 NZ LYS A 35 -8.527 0.317 4.796 1.00 43.04 N ATOM 0 H LYS A 35 -4.375 0.039 0.338 1.00 41.53 H new ATOM 0 HA LYS A 35 -6.508 -1.331 1.580 1.00 32.42 H new ATOM 0 HB2 LYS A 35 -6.676 0.920 2.749 1.00 42.41 H new ATOM 0 HB3 LYS A 35 -6.973 1.649 1.184 1.00 42.41 H new ATOM 0 HG2 LYS A 35 -9.067 1.228 2.427 1.00 2.05 H new ATOM 0 HG3 LYS A 35 -9.023 0.363 0.904 1.00 2.05 H new ATOM 0 HD2 LYS A 35 -9.867 -1.066 2.742 1.00 34.31 H new ATOM 0 HD3 LYS A 35 -8.399 -1.716 2.040 1.00 34.31 H new ATOM 0 HE2 LYS A 35 -8.418 -1.784 4.546 1.00 52.42 H new ATOM 0 HE3 LYS A 35 -7.055 -0.904 3.884 1.00 52.42 H new ATOM 0 HZ1 LYS A 35 -8.259 0.177 5.791 1.00 43.04 H new ATOM 0 HZ2 LYS A 35 -8.039 1.155 4.421 1.00 43.04 H new ATOM 0 HZ3 LYS A 35 -9.555 0.457 4.731 1.00 43.04 H new ATOM 580 N ILE A 36 -7.854 -1.076 -0.629 1.00 71.41 N ATOM 581 CA ILE A 36 -8.350 -1.244 -1.990 1.00 2.34 C ATOM 582 C ILE A 36 -9.721 -0.599 -2.158 1.00 52.22 C ATOM 583 O ILE A 36 -10.548 -0.624 -1.246 1.00 24.01 O ATOM 584 CB ILE A 36 -8.444 -2.732 -2.376 1.00 3.34 C ATOM 585 CG1 ILE A 36 -7.055 -3.374 -2.359 1.00 31.13 C ATOM 586 CG2 ILE A 36 -9.087 -2.884 -3.746 1.00 0.21 C ATOM 587 CD1 ILE A 36 -7.066 -4.826 -1.934 1.00 11.22 C ATOM 0 H ILE A 36 -8.477 -1.435 0.094 1.00 71.41 H new ATOM 0 HA ILE A 36 -7.636 -0.751 -2.649 1.00 2.34 H new ATOM 0 HB ILE A 36 -9.069 -3.244 -1.644 1.00 3.34 H new ATOM 0 HG12 ILE A 36 -6.616 -3.298 -3.354 1.00 31.13 H new ATOM 0 HG13 ILE A 36 -6.411 -2.811 -1.683 1.00 31.13 H new ATOM 0 HG21 ILE A 36 -9.146 -3.941 -4.005 1.00 0.21 H new ATOM 0 HG22 ILE A 36 -10.090 -2.458 -3.726 1.00 0.21 H new ATOM 0 HG23 ILE A 36 -8.486 -2.362 -4.490 1.00 0.21 H new ATOM 0 HD11 ILE A 36 -6.048 -5.216 -1.945 1.00 11.22 H new ATOM 0 HD12 ILE A 36 -7.475 -4.907 -0.927 1.00 11.22 H new ATOM 0 HD13 ILE A 36 -7.683 -5.402 -2.624 1.00 11.22 H new ATOM 599 N VAL A 37 -9.958 -0.022 -3.332 1.00 62.13 N ATOM 600 CA VAL A 37 -11.230 0.627 -3.623 1.00 15.24 C ATOM 601 C VAL A 37 -11.512 0.640 -5.121 1.00 30.42 C ATOM 602 O VAL A 37 -10.635 0.341 -5.931 1.00 24.51 O ATOM 603 CB VAL A 37 -11.256 2.074 -3.095 1.00 23.04 C ATOM 604 CG1 VAL A 37 -11.426 2.088 -1.583 1.00 43.12 C ATOM 605 CG2 VAL A 37 -9.990 2.812 -3.504 1.00 52.20 C ATOM 0 H VAL A 37 -9.285 0.009 -4.097 1.00 62.13 H new ATOM 0 HA VAL A 37 -12.002 0.049 -3.116 1.00 15.24 H new ATOM 0 HB VAL A 37 -12.109 2.589 -3.537 1.00 23.04 H new ATOM 0 HG11 VAL A 37 -11.442 3.119 -1.228 1.00 43.12 H new ATOM 0 HG12 VAL A 37 -12.363 1.598 -1.318 1.00 43.12 H new ATOM 0 HG13 VAL A 37 -10.595 1.557 -1.118 1.00 43.12 H new ATOM 0 HG21 VAL A 37 -10.025 3.833 -3.123 1.00 52.20 H new ATOM 0 HG22 VAL A 37 -9.121 2.300 -3.091 1.00 52.20 H new ATOM 0 HG23 VAL A 37 -9.916 2.833 -4.591 1.00 52.20 H new ATOM 615 N VAL A 38 -12.743 0.988 -5.483 1.00 45.24 N ATOM 616 CA VAL A 38 -13.140 1.041 -6.885 1.00 53.50 C ATOM 617 C VAL A 38 -13.206 2.481 -7.383 1.00 72.23 C ATOM 618 O VAL A 38 -13.603 3.384 -6.648 1.00 52.34 O ATOM 619 CB VAL A 38 -14.509 0.370 -7.106 1.00 1.21 C ATOM 620 CG1 VAL A 38 -15.527 0.890 -6.102 1.00 61.13 C ATOM 621 CG2 VAL A 38 -14.989 0.597 -8.531 1.00 54.43 C ATOM 0 H VAL A 38 -13.482 1.237 -4.825 1.00 45.24 H new ATOM 0 HA VAL A 38 -12.382 0.498 -7.450 1.00 53.50 H new ATOM 0 HB VAL A 38 -14.398 -0.703 -6.951 1.00 1.21 H new ATOM 0 HG11 VAL A 38 -16.488 0.405 -6.274 1.00 61.13 H new ATOM 0 HG12 VAL A 38 -15.185 0.671 -5.090 1.00 61.13 H new ATOM 0 HG13 VAL A 38 -15.638 1.968 -6.222 1.00 61.13 H new ATOM 0 HG21 VAL A 38 -15.957 0.116 -8.670 1.00 54.43 H new ATOM 0 HG22 VAL A 38 -15.085 1.667 -8.717 1.00 54.43 H new ATOM 0 HG23 VAL A 38 -14.269 0.171 -9.230 1.00 54.43 H new ATOM 631 N GLU A 39 -12.814 2.686 -8.637 1.00 35.20 N ATOM 632 CA GLU A 39 -12.829 4.016 -9.233 1.00 50.52 C ATOM 633 C GLU A 39 -13.891 4.112 -10.325 1.00 65.23 C ATOM 634 O GLU A 39 -14.784 4.957 -10.267 1.00 32.42 O ATOM 635 CB GLU A 39 -11.454 4.355 -9.812 1.00 42.14 C ATOM 636 CG GLU A 39 -10.414 4.691 -8.756 1.00 55.22 C ATOM 637 CD GLU A 39 -10.533 6.117 -8.254 1.00 41.11 C ATOM 638 OE1 GLU A 39 -10.415 7.048 -9.077 1.00 45.43 O ATOM 639 OE2 GLU A 39 -10.744 6.301 -7.037 1.00 14.10 O ATOM 0 H GLU A 39 -12.483 1.948 -9.259 1.00 35.20 H new ATOM 0 HA GLU A 39 -13.073 4.734 -8.450 1.00 50.52 H new ATOM 0 HB2 GLU A 39 -11.100 3.510 -10.403 1.00 42.14 H new ATOM 0 HB3 GLU A 39 -11.554 5.200 -10.493 1.00 42.14 H new ATOM 0 HG2 GLU A 39 -10.519 4.004 -7.916 1.00 55.22 H new ATOM 0 HG3 GLU A 39 -9.418 4.538 -9.171 1.00 55.22 H new ATOM 646 N LYS A 40 -13.785 3.239 -11.322 1.00 54.40 N ATOM 647 CA LYS A 40 -14.735 3.223 -12.428 1.00 71.22 C ATOM 648 C LYS A 40 -15.542 1.928 -12.433 1.00 50.41 C ATOM 649 O LYS A 40 -15.041 0.872 -12.047 1.00 11.11 O ATOM 650 CB LYS A 40 -14.000 3.383 -13.761 1.00 30.11 C ATOM 651 CG LYS A 40 -13.773 4.831 -14.160 1.00 60.32 C ATOM 652 CD LYS A 40 -12.873 5.548 -13.168 1.00 43.13 C ATOM 653 CE LYS A 40 -11.534 4.842 -13.019 1.00 21.00 C ATOM 654 NZ LYS A 40 -10.948 4.478 -14.339 1.00 54.20 N ATOM 0 H LYS A 40 -13.051 2.534 -11.386 1.00 54.40 H new ATOM 0 HA LYS A 40 -15.422 4.059 -12.296 1.00 71.22 H new ATOM 0 HB2 LYS A 40 -13.037 2.877 -13.698 1.00 30.11 H new ATOM 0 HB3 LYS A 40 -14.572 2.884 -14.544 1.00 30.11 H new ATOM 0 HG2 LYS A 40 -13.325 4.870 -15.153 1.00 60.32 H new ATOM 0 HG3 LYS A 40 -14.731 5.347 -14.222 1.00 60.32 H new ATOM 0 HD2 LYS A 40 -12.710 6.574 -13.499 1.00 43.13 H new ATOM 0 HD3 LYS A 40 -13.368 5.601 -12.198 1.00 43.13 H new ATOM 0 HE2 LYS A 40 -10.841 5.488 -12.480 1.00 21.00 H new ATOM 0 HE3 LYS A 40 -11.663 3.942 -12.418 1.00 21.00 H new ATOM 0 HZ1 LYS A 40 -9.974 4.139 -14.205 1.00 54.20 H new ATOM 0 HZ2 LYS A 40 -11.519 3.727 -14.777 1.00 54.20 H new ATOM 0 HZ3 LYS A 40 -10.942 5.313 -14.958 1.00 54.20 H new ATOM 668 N ASP A 41 -16.792 2.018 -12.874 1.00 31.34 N ATOM 669 CA ASP A 41 -17.668 0.853 -12.931 1.00 65.21 C ATOM 670 C ASP A 41 -19.044 1.234 -13.467 1.00 32.41 C ATOM 671 O ASP A 41 -19.622 2.242 -13.063 1.00 23.22 O ATOM 672 CB ASP A 41 -17.803 0.221 -11.545 1.00 21.01 C ATOM 673 CG ASP A 41 -19.042 0.695 -10.811 1.00 71.12 C ATOM 674 OD1 ASP A 41 -19.101 1.891 -10.458 1.00 22.02 O ATOM 675 OD2 ASP A 41 -19.953 -0.131 -10.590 1.00 1.45 O ATOM 0 H ASP A 41 -17.221 2.885 -13.197 1.00 31.34 H new ATOM 0 HA ASP A 41 -17.222 0.127 -13.610 1.00 65.21 H new ATOM 0 HB2 ASP A 41 -17.836 -0.864 -11.645 1.00 21.01 H new ATOM 0 HB3 ASP A 41 -16.920 0.459 -10.953 1.00 21.01 H new ATOM 680 N GLY A 42 -19.564 0.419 -14.381 1.00 11.53 N ATOM 681 CA GLY A 42 -20.868 0.689 -14.958 1.00 31.30 C ATOM 682 C GLY A 42 -20.921 0.380 -16.441 1.00 24.50 C ATOM 683 O GLY A 42 -21.662 1.016 -17.190 1.00 11.00 O ATOM 0 H GLY A 42 -19.106 -0.422 -14.731 1.00 11.53 H new ATOM 0 HA2 GLY A 42 -21.621 0.096 -14.439 1.00 31.30 H new ATOM 0 HA3 GLY A 42 -21.122 1.737 -14.799 1.00 31.30 H new ATOM 687 N LYS A 43 -20.131 -0.600 -16.868 1.00 4.31 N ATOM 688 CA LYS A 43 -20.089 -0.993 -18.271 1.00 43.14 C ATOM 689 C LYS A 43 -19.588 0.154 -19.143 1.00 52.41 C ATOM 690 O LYS A 43 -19.769 1.325 -18.810 1.00 33.31 O ATOM 691 CB LYS A 43 -21.477 -1.435 -18.740 1.00 23.41 C ATOM 692 CG LYS A 43 -21.457 -2.683 -19.606 1.00 32.11 C ATOM 693 CD LYS A 43 -21.464 -3.947 -18.763 1.00 22.22 C ATOM 694 CE LYS A 43 -22.874 -4.486 -18.577 1.00 51.11 C ATOM 695 NZ LYS A 43 -23.747 -3.518 -17.856 1.00 60.43 N ATOM 0 H LYS A 43 -19.511 -1.137 -16.261 1.00 4.31 H new ATOM 0 HA LYS A 43 -19.396 -1.829 -18.367 1.00 43.14 H new ATOM 0 HB2 LYS A 43 -22.105 -1.618 -17.868 1.00 23.41 H new ATOM 0 HB3 LYS A 43 -21.938 -0.622 -19.300 1.00 23.41 H new ATOM 0 HG2 LYS A 43 -22.323 -2.681 -20.268 1.00 32.11 H new ATOM 0 HG3 LYS A 43 -20.571 -2.673 -20.240 1.00 32.11 H new ATOM 0 HD2 LYS A 43 -20.843 -4.706 -19.239 1.00 22.22 H new ATOM 0 HD3 LYS A 43 -21.022 -3.738 -17.789 1.00 22.22 H new ATOM 0 HE2 LYS A 43 -23.308 -4.711 -19.551 1.00 51.11 H new ATOM 0 HE3 LYS A 43 -22.834 -5.423 -18.022 1.00 51.11 H new ATOM 0 HZ1 LYS A 43 -24.635 -3.987 -17.585 1.00 60.43 H new ATOM 0 HZ2 LYS A 43 -23.259 -3.180 -17.002 1.00 60.43 H new ATOM 0 HZ3 LYS A 43 -23.957 -2.711 -18.477 1.00 60.43 H new ATOM 709 N GLY A 44 -18.959 -0.190 -20.263 1.00 4.34 N ATOM 710 CA GLY A 44 -18.443 0.823 -21.165 1.00 52.12 C ATOM 711 C GLY A 44 -17.455 0.259 -22.167 1.00 33.53 C ATOM 712 O GLY A 44 -17.215 0.855 -23.215 1.00 52.14 O ATOM 0 H GLY A 44 -18.798 -1.152 -20.562 1.00 4.34 H new ATOM 0 HA2 GLY A 44 -19.273 1.286 -21.699 1.00 52.12 H new ATOM 0 HA3 GLY A 44 -17.959 1.609 -20.585 1.00 52.12 H new ATOM 716 N ASN A 45 -16.880 -0.895 -21.842 1.00 43.42 N ATOM 717 CA ASN A 45 -15.910 -1.539 -22.721 1.00 11.22 C ATOM 718 C ASN A 45 -14.588 -0.778 -22.723 1.00 2.25 C ATOM 719 O ASN A 45 -14.425 0.206 -22.001 1.00 71.21 O ATOM 720 CB ASN A 45 -16.462 -1.628 -24.145 1.00 62.11 C ATOM 721 CG ASN A 45 -16.095 -2.932 -24.827 1.00 24.13 C ATOM 722 OD1 ASN A 45 -15.017 -3.059 -25.409 1.00 74.11 O ATOM 723 ND2 ASN A 45 -16.991 -3.909 -24.757 1.00 33.01 N ATOM 0 H ASN A 45 -17.069 -1.403 -20.978 1.00 43.42 H new ATOM 0 HA ASN A 45 -15.728 -2.546 -22.345 1.00 11.22 H new ATOM 0 HB2 ASN A 45 -17.547 -1.528 -24.118 1.00 62.11 H new ATOM 0 HB3 ASN A 45 -16.080 -0.794 -24.733 1.00 62.11 H new ATOM 0 HD21 ASN A 45 -16.799 -4.809 -25.196 1.00 33.01 H new ATOM 0 HD22 ASN A 45 -17.871 -3.759 -24.264 1.00 33.01 H new ATOM 730 N ALA A 46 -13.646 -1.240 -23.539 1.00 33.13 N ATOM 731 CA ALA A 46 -12.339 -0.602 -23.637 1.00 15.04 C ATOM 732 C ALA A 46 -12.474 0.869 -24.016 1.00 22.12 C ATOM 733 O ALA A 46 -11.578 1.672 -23.754 1.00 30.35 O ATOM 734 CB ALA A 46 -11.470 -1.333 -24.649 1.00 1.31 C ATOM 0 H ALA A 46 -13.764 -2.054 -24.142 1.00 33.13 H new ATOM 0 HA ALA A 46 -11.861 -0.656 -22.659 1.00 15.04 H new ATOM 0 HB1 ALA A 46 -10.497 -0.846 -24.712 1.00 1.31 H new ATOM 0 HB2 ALA A 46 -11.338 -2.368 -24.335 1.00 1.31 H new ATOM 0 HB3 ALA A 46 -11.952 -1.309 -25.627 1.00 1.31 H new ATOM 740 N ASP A 47 -13.597 1.215 -24.635 1.00 12.24 N ATOM 741 CA ASP A 47 -13.849 2.590 -25.050 1.00 3.32 C ATOM 742 C ASP A 47 -13.691 3.550 -23.875 1.00 14.24 C ATOM 743 O ASP A 47 -13.013 4.571 -23.982 1.00 40.11 O ATOM 744 CB ASP A 47 -15.252 2.718 -25.644 1.00 34.41 C ATOM 745 CG ASP A 47 -15.410 3.961 -26.496 1.00 43.43 C ATOM 746 OD1 ASP A 47 -14.904 3.966 -27.638 1.00 22.42 O ATOM 747 OD2 ASP A 47 -16.038 4.931 -26.022 1.00 30.15 O ATOM 0 H ASP A 47 -14.348 0.562 -24.861 1.00 12.24 H new ATOM 0 HA ASP A 47 -13.116 2.853 -25.812 1.00 3.32 H new ATOM 0 HB2 ASP A 47 -15.469 1.837 -26.248 1.00 34.41 H new ATOM 0 HB3 ASP A 47 -15.984 2.739 -24.837 1.00 34.41 H new ATOM 752 N GLU A 48 -14.324 3.215 -22.754 1.00 41.14 N ATOM 753 CA GLU A 48 -14.255 4.049 -21.560 1.00 50.13 C ATOM 754 C GLU A 48 -12.999 3.738 -20.751 1.00 40.33 C ATOM 755 O GLU A 48 -12.391 4.631 -20.161 1.00 5.20 O ATOM 756 CB GLU A 48 -15.498 3.840 -20.693 1.00 12.31 C ATOM 757 CG GLU A 48 -16.795 3.812 -21.484 1.00 41.04 C ATOM 758 CD GLU A 48 -17.026 5.087 -22.272 1.00 2.34 C ATOM 759 OE1 GLU A 48 -17.130 6.162 -21.644 1.00 63.13 O ATOM 760 OE2 GLU A 48 -17.102 5.010 -23.516 1.00 12.11 O ATOM 0 H GLU A 48 -14.890 2.373 -22.648 1.00 41.14 H new ATOM 0 HA GLU A 48 -14.213 5.091 -21.877 1.00 50.13 H new ATOM 0 HB2 GLU A 48 -15.396 2.903 -20.146 1.00 12.31 H new ATOM 0 HB3 GLU A 48 -15.552 4.637 -19.952 1.00 12.31 H new ATOM 0 HG2 GLU A 48 -16.780 2.964 -22.169 1.00 41.04 H new ATOM 0 HG3 GLU A 48 -17.630 3.656 -20.801 1.00 41.04 H new ATOM 767 N PHE A 49 -12.617 2.466 -20.729 1.00 22.24 N ATOM 768 CA PHE A 49 -11.435 2.036 -19.991 1.00 65.43 C ATOM 769 C PHE A 49 -10.177 2.702 -20.543 1.00 14.15 C ATOM 770 O PHE A 49 -9.210 2.925 -19.814 1.00 51.24 O ATOM 771 CB PHE A 49 -11.290 0.514 -20.060 1.00 34.14 C ATOM 772 CG PHE A 49 -10.162 -0.019 -19.225 1.00 25.43 C ATOM 773 CD1 PHE A 49 -10.259 -0.050 -17.843 1.00 23.31 C ATOM 774 CD2 PHE A 49 -9.003 -0.489 -19.822 1.00 22.43 C ATOM 775 CE1 PHE A 49 -9.222 -0.541 -17.072 1.00 1.24 C ATOM 776 CE2 PHE A 49 -7.963 -0.981 -19.056 1.00 20.44 C ATOM 777 CZ PHE A 49 -8.072 -1.006 -17.679 1.00 11.01 C ATOM 0 H PHE A 49 -13.108 1.715 -21.213 1.00 22.24 H new ATOM 0 HA PHE A 49 -11.558 2.336 -18.950 1.00 65.43 H new ATOM 0 HB2 PHE A 49 -12.222 0.053 -19.734 1.00 34.14 H new ATOM 0 HB3 PHE A 49 -11.134 0.219 -21.098 1.00 34.14 H new ATOM 0 HD1 PHE A 49 -11.155 0.314 -17.363 1.00 23.31 H new ATOM 0 HD2 PHE A 49 -8.911 -0.471 -20.898 1.00 22.43 H new ATOM 0 HE1 PHE A 49 -9.311 -0.561 -15.996 1.00 1.24 H new ATOM 0 HE2 PHE A 49 -7.066 -1.346 -19.534 1.00 20.44 H new ATOM 0 HZ PHE A 49 -7.260 -1.388 -17.079 1.00 11.01 H new ATOM 787 N ARG A 50 -10.199 3.017 -21.834 1.00 35.15 N ATOM 788 CA ARG A 50 -9.062 3.656 -22.484 1.00 22.13 C ATOM 789 C ARG A 50 -9.131 5.173 -22.334 1.00 35.22 C ATOM 790 O ARG A 50 -8.135 5.871 -22.516 1.00 53.31 O ATOM 791 CB ARG A 50 -9.017 3.281 -23.966 1.00 74.31 C ATOM 792 CG ARG A 50 -10.084 3.970 -24.801 1.00 34.31 C ATOM 793 CD ARG A 50 -9.469 4.904 -25.831 1.00 62.31 C ATOM 794 NE ARG A 50 -10.485 5.616 -26.601 1.00 33.22 N ATOM 795 CZ ARG A 50 -10.204 6.438 -27.605 1.00 53.43 C ATOM 796 NH1 ARG A 50 -8.945 6.651 -27.960 1.00 4.13 N ATOM 797 NH2 ARG A 50 -11.185 7.050 -28.258 1.00 23.21 N ATOM 0 H ARG A 50 -10.992 2.840 -22.450 1.00 35.15 H new ATOM 0 HA ARG A 50 -8.153 3.301 -21.999 1.00 22.13 H new ATOM 0 HB2 ARG A 50 -8.035 3.533 -24.366 1.00 74.31 H new ATOM 0 HB3 ARG A 50 -9.133 2.201 -24.063 1.00 74.31 H new ATOM 0 HG2 ARG A 50 -10.693 3.220 -25.306 1.00 34.31 H new ATOM 0 HG3 ARG A 50 -10.750 4.534 -24.148 1.00 34.31 H new ATOM 0 HD2 ARG A 50 -8.825 5.625 -25.328 1.00 62.31 H new ATOM 0 HD3 ARG A 50 -8.837 4.330 -26.509 1.00 62.31 H new ATOM 0 HE ARG A 50 -11.464 5.474 -26.354 1.00 33.22 H new ATOM 0 HH11 ARG A 50 -8.188 6.183 -27.461 1.00 4.13 H new ATOM 0 HH12 ARG A 50 -8.733 7.283 -28.732 1.00 4.13 H new ATOM 0 HH21 ARG A 50 -12.155 6.889 -27.988 1.00 23.21 H new ATOM 0 HH22 ARG A 50 -10.968 7.681 -29.029 1.00 23.21 H new ATOM 811 N GLY A 51 -10.316 5.676 -22.001 1.00 35.23 N ATOM 812 CA GLY A 51 -10.495 7.106 -21.833 1.00 5.23 C ATOM 813 C GLY A 51 -10.792 7.489 -20.397 1.00 34.35 C ATOM 814 O GLY A 51 -11.162 8.628 -20.115 1.00 13.05 O ATOM 0 H GLY A 51 -11.155 5.118 -21.845 1.00 35.23 H new ATOM 0 HA2 GLY A 51 -9.595 7.623 -22.165 1.00 5.23 H new ATOM 0 HA3 GLY A 51 -11.311 7.444 -22.472 1.00 5.23 H new ATOM 818 N ALA A 52 -10.633 6.534 -19.486 1.00 64.32 N ATOM 819 CA ALA A 52 -10.887 6.777 -18.072 1.00 22.44 C ATOM 820 C ALA A 52 -9.631 6.540 -17.240 1.00 2.33 C ATOM 821 O ALA A 52 -9.466 7.122 -16.167 1.00 3.33 O ATOM 822 CB ALA A 52 -12.022 5.891 -17.580 1.00 12.23 C ATOM 0 H ALA A 52 -10.329 5.585 -19.703 1.00 64.32 H new ATOM 0 HA ALA A 52 -11.178 7.821 -17.955 1.00 22.44 H new ATOM 0 HB1 ALA A 52 -12.201 6.083 -16.522 1.00 12.23 H new ATOM 0 HB2 ALA A 52 -12.927 6.110 -18.147 1.00 12.23 H new ATOM 0 HB3 ALA A 52 -11.752 4.844 -17.718 1.00 12.23 H new ATOM 828 N LEU A 53 -8.748 5.683 -17.740 1.00 50.02 N ATOM 829 CA LEU A 53 -7.506 5.369 -17.042 1.00 40.05 C ATOM 830 C LEU A 53 -6.775 6.643 -16.632 1.00 0.22 C ATOM 831 O LEU A 53 -6.964 7.711 -17.214 1.00 45.51 O ATOM 832 CB LEU A 53 -6.602 4.512 -17.930 1.00 43.33 C ATOM 833 CG LEU A 53 -6.898 3.012 -17.941 1.00 40.30 C ATOM 834 CD1 LEU A 53 -6.422 2.384 -19.242 1.00 35.54 C ATOM 835 CD2 LEU A 53 -6.245 2.331 -16.747 1.00 41.12 C ATOM 0 H LEU A 53 -8.869 5.193 -18.626 1.00 50.02 H new ATOM 0 HA LEU A 53 -7.756 4.809 -16.141 1.00 40.05 H new ATOM 0 HB2 LEU A 53 -6.673 4.883 -18.952 1.00 43.33 H new ATOM 0 HB3 LEU A 53 -5.570 4.656 -17.610 1.00 43.33 H new ATOM 0 HG LEU A 53 -7.977 2.873 -17.868 1.00 40.30 H new ATOM 0 HD11 LEU A 53 -6.641 1.316 -19.232 1.00 35.54 H new ATOM 0 HD12 LEU A 53 -6.936 2.852 -20.081 1.00 35.54 H new ATOM 0 HD13 LEU A 53 -5.347 2.533 -19.346 1.00 35.54 H new ATOM 0 HD21 LEU A 53 -6.466 1.264 -16.771 1.00 41.12 H new ATOM 0 HD22 LEU A 53 -5.166 2.479 -16.789 1.00 41.12 H new ATOM 0 HD23 LEU A 53 -6.635 2.762 -15.825 1.00 41.12 H new ATOM 847 N PRO A 54 -5.918 6.530 -15.606 1.00 33.21 N ATOM 848 CA PRO A 54 -5.139 7.662 -15.096 1.00 53.22 C ATOM 849 C PRO A 54 -4.060 8.111 -16.075 1.00 71.15 C ATOM 850 O PRO A 54 -3.333 7.289 -16.632 1.00 30.30 O ATOM 851 CB PRO A 54 -4.505 7.109 -13.818 1.00 2.34 C ATOM 852 CG PRO A 54 -4.441 5.636 -14.032 1.00 53.54 C ATOM 853 CD PRO A 54 -5.644 5.287 -14.865 1.00 2.20 C ATOM 0 HA PRO A 54 -5.759 8.543 -14.933 1.00 53.22 H new ATOM 0 HB2 PRO A 54 -3.512 7.529 -13.655 1.00 2.34 H new ATOM 0 HB3 PRO A 54 -5.103 7.356 -12.941 1.00 2.34 H new ATOM 0 HG2 PRO A 54 -3.519 5.355 -14.541 1.00 53.54 H new ATOM 0 HG3 PRO A 54 -4.456 5.102 -13.082 1.00 53.54 H new ATOM 0 HD2 PRO A 54 -5.439 4.455 -15.538 1.00 2.20 H new ATOM 0 HD3 PRO A 54 -6.491 4.994 -14.245 1.00 2.20 H new ATOM 861 N ALA A 55 -3.961 9.420 -16.281 1.00 13.22 N ATOM 862 CA ALA A 55 -2.969 9.978 -17.191 1.00 61.01 C ATOM 863 C ALA A 55 -1.611 10.108 -16.510 1.00 63.40 C ATOM 864 O ALA A 55 -0.573 9.864 -17.123 1.00 44.35 O ATOM 865 CB ALA A 55 -3.432 11.331 -17.712 1.00 24.41 C ATOM 0 H ALA A 55 -4.556 10.114 -15.829 1.00 13.22 H new ATOM 0 HA ALA A 55 -2.860 9.295 -18.033 1.00 61.01 H new ATOM 0 HB1 ALA A 55 -2.681 11.736 -18.391 1.00 24.41 H new ATOM 0 HB2 ALA A 55 -4.376 11.212 -18.244 1.00 24.41 H new ATOM 0 HB3 ALA A 55 -3.571 12.015 -16.875 1.00 24.41 H new ATOM 871 N ASN A 56 -1.626 10.493 -15.238 1.00 51.32 N ATOM 872 CA ASN A 56 -0.395 10.657 -14.474 1.00 63.41 C ATOM 873 C ASN A 56 -0.323 9.644 -13.335 1.00 12.53 C ATOM 874 O ASN A 56 0.510 9.764 -12.436 1.00 33.10 O ATOM 875 CB ASN A 56 -0.301 12.078 -13.915 1.00 73.12 C ATOM 876 CG ASN A 56 -0.020 13.106 -14.994 1.00 22.11 C ATOM 877 OD1 ASN A 56 0.395 12.763 -16.101 1.00 61.30 O ATOM 878 ND2 ASN A 56 -0.245 14.375 -14.675 1.00 4.15 N ATOM 0 H ASN A 56 -2.477 10.697 -14.715 1.00 51.32 H new ATOM 0 HA ASN A 56 0.446 10.483 -15.146 1.00 63.41 H new ATOM 0 HB2 ASN A 56 -1.234 12.330 -13.411 1.00 73.12 H new ATOM 0 HB3 ASN A 56 0.488 12.119 -13.164 1.00 73.12 H new ATOM 0 HD21 ASN A 56 -0.074 15.111 -15.360 1.00 4.15 H new ATOM 0 HD22 ASN A 56 -0.589 14.614 -13.745 1.00 4.15 H new ATOM 885 N ASP A 57 -1.201 8.649 -13.380 1.00 33.35 N ATOM 886 CA ASP A 57 -1.237 7.614 -12.352 1.00 53.23 C ATOM 887 C ASP A 57 -1.411 6.234 -12.977 1.00 72.54 C ATOM 888 O ASP A 57 -1.422 6.092 -14.201 1.00 0.11 O ATOM 889 CB ASP A 57 -2.372 7.887 -11.364 1.00 21.45 C ATOM 890 CG ASP A 57 -1.910 7.825 -9.921 1.00 20.31 C ATOM 891 OD1 ASP A 57 -1.347 6.784 -9.523 1.00 20.22 O ATOM 892 OD2 ASP A 57 -2.112 8.817 -9.190 1.00 12.03 O ATOM 0 H ASP A 57 -1.897 8.536 -14.117 1.00 33.35 H new ATOM 0 HA ASP A 57 -0.287 7.634 -11.817 1.00 53.23 H new ATOM 0 HB2 ASP A 57 -2.796 8.871 -11.565 1.00 21.45 H new ATOM 0 HB3 ASP A 57 -3.168 7.159 -11.519 1.00 21.45 H new ATOM 897 N CYS A 58 -1.546 5.219 -12.130 1.00 43.25 N ATOM 898 CA CYS A 58 -1.717 3.849 -12.600 1.00 31.21 C ATOM 899 C CYS A 58 -2.922 3.193 -11.934 1.00 74.21 C ATOM 900 O CYS A 58 -3.176 3.398 -10.747 1.00 55.12 O ATOM 901 CB CYS A 58 -0.456 3.030 -12.320 1.00 11.24 C ATOM 902 SG CYS A 58 -0.769 1.277 -12.005 1.00 44.23 S ATOM 0 H CYS A 58 -1.540 5.319 -11.115 1.00 43.25 H new ATOM 0 HA CYS A 58 -1.890 3.879 -13.676 1.00 31.21 H new ATOM 0 HB2 CYS A 58 0.219 3.120 -13.171 1.00 11.24 H new ATOM 0 HB3 CYS A 58 0.058 3.457 -11.459 1.00 11.24 H new ATOM 0 HG CYS A 58 -1.246 1.130 -10.804 1.00 44.23 H new ATOM 908 N ARG A 59 -3.662 2.404 -12.707 1.00 13.41 N ATOM 909 CA ARG A 59 -4.843 1.721 -12.193 1.00 21.42 C ATOM 910 C ARG A 59 -5.025 0.366 -12.870 1.00 65.54 C ATOM 911 O ARG A 59 -4.419 0.092 -13.907 1.00 24.33 O ATOM 912 CB ARG A 59 -6.090 2.581 -12.406 1.00 61.30 C ATOM 913 CG ARG A 59 -6.737 3.047 -11.112 1.00 62.10 C ATOM 914 CD ARG A 59 -6.848 4.563 -11.060 1.00 33.44 C ATOM 915 NE ARG A 59 -7.710 5.085 -12.116 1.00 75.13 N ATOM 916 CZ ARG A 59 -7.927 6.380 -12.315 1.00 45.34 C ATOM 917 NH1 ARG A 59 -7.346 7.280 -11.534 1.00 0.40 N ATOM 918 NH2 ARG A 59 -8.724 6.778 -13.298 1.00 74.34 N ATOM 0 H ARG A 59 -3.464 2.222 -13.691 1.00 13.41 H new ATOM 0 HA ARG A 59 -4.701 1.558 -11.125 1.00 21.42 H new ATOM 0 HB2 ARG A 59 -5.822 3.453 -13.003 1.00 61.30 H new ATOM 0 HB3 ARG A 59 -6.819 2.012 -12.983 1.00 61.30 H new ATOM 0 HG2 ARG A 59 -7.729 2.605 -11.020 1.00 62.10 H new ATOM 0 HG3 ARG A 59 -6.151 2.694 -10.263 1.00 62.10 H new ATOM 0 HD2 ARG A 59 -7.241 4.865 -10.089 1.00 33.44 H new ATOM 0 HD3 ARG A 59 -5.855 5.003 -11.152 1.00 33.44 H new ATOM 0 HE ARG A 59 -8.171 4.418 -12.735 1.00 75.13 H new ATOM 0 HH11 ARG A 59 -6.731 6.978 -10.778 1.00 0.40 H new ATOM 0 HH12 ARG A 59 -7.514 8.274 -11.689 1.00 0.40 H new ATOM 0 HH21 ARG A 59 -9.171 6.089 -13.903 1.00 74.34 H new ATOM 0 HH22 ARG A 59 -8.889 7.773 -13.449 1.00 74.34 H new ATOM 932 N PHE A 60 -5.862 -0.479 -12.278 1.00 12.01 N ATOM 933 CA PHE A 60 -6.123 -1.806 -12.823 1.00 64.21 C ATOM 934 C PHE A 60 -7.527 -1.885 -13.414 1.00 33.53 C ATOM 935 O PHE A 60 -8.311 -0.943 -13.308 1.00 32.21 O ATOM 936 CB PHE A 60 -5.953 -2.870 -11.736 1.00 14.51 C ATOM 937 CG PHE A 60 -4.520 -3.139 -11.379 1.00 4.12 C ATOM 938 CD1 PHE A 60 -3.564 -3.300 -12.369 1.00 22.02 C ATOM 939 CD2 PHE A 60 -4.128 -3.232 -10.053 1.00 2.50 C ATOM 940 CE1 PHE A 60 -2.243 -3.548 -12.044 1.00 13.34 C ATOM 941 CE2 PHE A 60 -2.809 -3.479 -9.722 1.00 1.52 C ATOM 942 CZ PHE A 60 -1.866 -3.638 -10.718 1.00 62.03 C ATOM 0 H PHE A 60 -6.372 -0.268 -11.420 1.00 12.01 H new ATOM 0 HA PHE A 60 -5.402 -1.992 -13.619 1.00 64.21 H new ATOM 0 HB2 PHE A 60 -6.488 -2.552 -10.841 1.00 14.51 H new ATOM 0 HB3 PHE A 60 -6.416 -3.798 -12.072 1.00 14.51 H new ATOM 0 HD1 PHE A 60 -3.854 -3.231 -13.407 1.00 22.02 H new ATOM 0 HD2 PHE A 60 -4.861 -3.110 -9.270 1.00 2.50 H new ATOM 0 HE1 PHE A 60 -1.507 -3.671 -12.825 1.00 13.34 H new ATOM 0 HE2 PHE A 60 -2.516 -3.548 -8.685 1.00 1.52 H new ATOM 0 HZ PHE A 60 -0.835 -3.832 -10.461 1.00 62.03 H new ATOM 952 N GLY A 61 -7.838 -3.018 -14.037 1.00 62.21 N ATOM 953 CA GLY A 61 -9.147 -3.200 -14.636 1.00 61.43 C ATOM 954 C GLY A 61 -9.488 -4.662 -14.852 1.00 45.41 C ATOM 955 O GLY A 61 -8.734 -5.394 -15.493 1.00 23.32 O ATOM 0 H GLY A 61 -7.207 -3.813 -14.137 1.00 62.21 H new ATOM 0 HA2 GLY A 61 -9.903 -2.745 -13.996 1.00 61.43 H new ATOM 0 HA3 GLY A 61 -9.182 -2.677 -15.592 1.00 61.43 H new ATOM 959 N VAL A 62 -10.626 -5.088 -14.315 1.00 11.13 N ATOM 960 CA VAL A 62 -11.065 -6.472 -14.451 1.00 41.42 C ATOM 961 C VAL A 62 -12.289 -6.574 -15.355 1.00 4.51 C ATOM 962 O VAL A 62 -13.280 -5.872 -15.156 1.00 15.23 O ATOM 963 CB VAL A 62 -11.399 -7.092 -13.082 1.00 23.34 C ATOM 964 CG1 VAL A 62 -10.131 -7.564 -12.386 1.00 10.23 C ATOM 965 CG2 VAL A 62 -12.153 -6.095 -12.215 1.00 72.41 C ATOM 0 H VAL A 62 -11.261 -4.495 -13.781 1.00 11.13 H new ATOM 0 HA VAL A 62 -10.239 -7.023 -14.899 1.00 41.42 H new ATOM 0 HB VAL A 62 -12.041 -7.958 -13.242 1.00 23.34 H new ATOM 0 HG11 VAL A 62 -10.387 -7.999 -11.420 1.00 10.23 H new ATOM 0 HG12 VAL A 62 -9.635 -8.314 -13.002 1.00 10.23 H new ATOM 0 HG13 VAL A 62 -9.461 -6.717 -12.236 1.00 10.23 H new ATOM 0 HG21 VAL A 62 -12.381 -6.550 -11.251 1.00 72.41 H new ATOM 0 HG22 VAL A 62 -11.538 -5.208 -12.061 1.00 72.41 H new ATOM 0 HG23 VAL A 62 -13.081 -5.811 -12.711 1.00 72.41 H new ATOM 975 N TYR A 63 -12.212 -7.452 -16.348 1.00 42.13 N ATOM 976 CA TYR A 63 -13.313 -7.645 -17.285 1.00 4.23 C ATOM 977 C TYR A 63 -13.495 -9.123 -17.614 1.00 31.32 C ATOM 978 O TYR A 63 -12.598 -9.764 -18.162 1.00 73.12 O ATOM 979 CB TYR A 63 -13.062 -6.852 -18.569 1.00 34.22 C ATOM 980 CG TYR A 63 -11.789 -6.038 -18.539 1.00 65.35 C ATOM 981 CD1 TYR A 63 -11.709 -4.862 -17.805 1.00 51.41 C ATOM 982 CD2 TYR A 63 -10.664 -6.447 -19.246 1.00 3.23 C ATOM 983 CE1 TYR A 63 -10.548 -4.115 -17.776 1.00 45.42 C ATOM 984 CE2 TYR A 63 -9.497 -5.707 -19.221 1.00 53.14 C ATOM 985 CZ TYR A 63 -9.444 -4.541 -18.486 1.00 33.43 C ATOM 986 OH TYR A 63 -8.285 -3.801 -18.458 1.00 41.24 O ATOM 0 H TYR A 63 -11.399 -8.042 -16.525 1.00 42.13 H new ATOM 0 HA TYR A 63 -14.226 -7.281 -16.814 1.00 4.23 H new ATOM 0 HB2 TYR A 63 -13.021 -7.543 -19.411 1.00 34.22 H new ATOM 0 HB3 TYR A 63 -13.906 -6.185 -18.745 1.00 34.22 H new ATOM 0 HD1 TYR A 63 -12.570 -4.526 -17.247 1.00 51.41 H new ATOM 0 HD2 TYR A 63 -10.703 -7.358 -19.824 1.00 3.23 H new ATOM 0 HE1 TYR A 63 -10.504 -3.202 -17.201 1.00 45.42 H new ATOM 0 HE2 TYR A 63 -8.631 -6.040 -19.774 1.00 53.14 H new ATOM 0 HH TYR A 63 -8.504 -2.848 -18.517 1.00 41.24 H new ATOM 996 N ASP A 64 -14.663 -9.658 -17.275 1.00 51.03 N ATOM 997 CA ASP A 64 -14.966 -11.061 -17.536 1.00 11.54 C ATOM 998 C ASP A 64 -14.736 -11.403 -19.004 1.00 45.22 C ATOM 999 O ASP A 64 -15.559 -11.084 -19.863 1.00 1.22 O ATOM 1000 CB ASP A 64 -16.412 -11.373 -17.147 1.00 52.53 C ATOM 1001 CG ASP A 64 -16.911 -12.665 -17.764 1.00 13.44 C ATOM 1002 OD1 ASP A 64 -16.723 -13.730 -17.141 1.00 23.24 O ATOM 1003 OD2 ASP A 64 -17.490 -12.610 -18.869 1.00 64.44 O ATOM 0 H ASP A 64 -15.415 -9.142 -16.819 1.00 51.03 H new ATOM 0 HA ASP A 64 -14.295 -11.671 -16.931 1.00 11.54 H new ATOM 0 HB2 ASP A 64 -16.487 -11.439 -16.062 1.00 52.53 H new ATOM 0 HB3 ASP A 64 -17.055 -10.551 -17.461 1.00 52.53 H new ATOM 1008 N CYS A 65 -13.611 -12.052 -19.285 1.00 74.24 N ATOM 1009 CA CYS A 65 -13.271 -12.436 -20.651 1.00 33.21 C ATOM 1010 C CYS A 65 -13.914 -13.770 -21.017 1.00 15.12 C ATOM 1011 O CYS A 65 -13.851 -14.207 -22.165 1.00 20.11 O ATOM 1012 CB CYS A 65 -11.753 -12.526 -20.814 1.00 74.24 C ATOM 1013 SG CYS A 65 -11.177 -12.266 -22.508 1.00 43.31 S ATOM 0 H CYS A 65 -12.919 -12.323 -18.586 1.00 74.24 H new ATOM 0 HA CYS A 65 -13.657 -11.671 -21.324 1.00 33.21 H new ATOM 0 HB2 CYS A 65 -11.284 -11.787 -20.164 1.00 74.24 H new ATOM 0 HB3 CYS A 65 -11.419 -13.506 -20.474 1.00 74.24 H new ATOM 0 HG CYS A 65 -9.881 -12.359 -22.545 1.00 43.31 H new ATOM 1019 N GLY A 66 -14.533 -14.413 -20.031 1.00 22.20 N ATOM 1020 CA GLY A 66 -15.177 -15.692 -20.269 1.00 10.32 C ATOM 1021 C GLY A 66 -14.280 -16.865 -19.928 1.00 32.22 C ATOM 1022 O GLY A 66 -14.758 -17.919 -19.511 1.00 20.30 O ATOM 0 H GLY A 66 -14.600 -14.071 -19.072 1.00 22.20 H new ATOM 0 HA2 GLY A 66 -16.089 -15.752 -19.676 1.00 10.32 H new ATOM 0 HA3 GLY A 66 -15.473 -15.757 -21.316 1.00 10.32 H new ATOM 1026 N ASN A 67 -12.976 -16.683 -20.107 1.00 1.21 N ATOM 1027 CA ASN A 67 -12.010 -17.736 -19.817 1.00 60.32 C ATOM 1028 C ASN A 67 -11.052 -17.307 -18.710 1.00 13.11 C ATOM 1029 O ASN A 67 -10.443 -18.143 -18.042 1.00 13.55 O ATOM 1030 CB ASN A 67 -11.221 -18.095 -21.078 1.00 53.44 C ATOM 1031 CG ASN A 67 -11.976 -19.053 -21.979 1.00 63.32 C ATOM 1032 OD1 ASN A 67 -12.823 -18.641 -22.772 1.00 65.21 O ATOM 1033 ND2 ASN A 67 -11.671 -20.340 -21.861 1.00 21.35 N ATOM 0 H ASN A 67 -12.564 -15.816 -20.452 1.00 1.21 H new ATOM 0 HA ASN A 67 -12.559 -18.614 -19.477 1.00 60.32 H new ATOM 0 HB2 ASN A 67 -10.992 -17.184 -21.631 1.00 53.44 H new ATOM 0 HB3 ASN A 67 -10.269 -18.543 -20.793 1.00 53.44 H new ATOM 0 HD21 ASN A 67 -12.146 -21.032 -22.441 1.00 21.35 H new ATOM 0 HD22 ASN A 67 -10.962 -20.637 -21.190 1.00 21.35 H new ATOM 1040 N LYS A 68 -10.924 -15.998 -18.521 1.00 34.05 N ATOM 1041 CA LYS A 68 -10.043 -15.456 -17.493 1.00 51.55 C ATOM 1042 C LYS A 68 -10.230 -13.948 -17.357 1.00 12.13 C ATOM 1043 O LYS A 68 -10.970 -13.333 -18.125 1.00 53.11 O ATOM 1044 CB LYS A 68 -8.583 -15.771 -17.827 1.00 11.33 C ATOM 1045 CG LYS A 68 -8.098 -15.120 -19.111 1.00 31.13 C ATOM 1046 CD LYS A 68 -8.478 -15.942 -20.331 1.00 35.24 C ATOM 1047 CE LYS A 68 -9.422 -15.177 -21.246 1.00 35.51 C ATOM 1048 NZ LYS A 68 -9.264 -15.583 -22.670 1.00 31.21 N ATOM 0 H LYS A 68 -11.419 -15.293 -19.066 1.00 34.05 H new ATOM 0 HA LYS A 68 -10.302 -15.924 -16.543 1.00 51.55 H new ATOM 0 HB2 LYS A 68 -7.951 -15.442 -17.002 1.00 11.33 H new ATOM 0 HB3 LYS A 68 -8.463 -16.851 -17.909 1.00 11.33 H new ATOM 0 HG2 LYS A 68 -8.525 -14.121 -19.197 1.00 31.13 H new ATOM 0 HG3 LYS A 68 -7.015 -15.002 -19.074 1.00 31.13 H new ATOM 0 HD2 LYS A 68 -7.578 -16.216 -20.882 1.00 35.24 H new ATOM 0 HD3 LYS A 68 -8.951 -16.871 -20.012 1.00 35.24 H new ATOM 0 HE2 LYS A 68 -10.451 -15.349 -20.931 1.00 35.51 H new ATOM 0 HE3 LYS A 68 -9.234 -14.108 -21.150 1.00 35.51 H new ATOM 0 HZ1 LYS A 68 -10.069 -15.226 -23.224 1.00 31.21 H new ATOM 0 HZ2 LYS A 68 -8.380 -15.186 -23.048 1.00 31.21 H new ATOM 0 HZ3 LYS A 68 -9.233 -16.621 -22.734 1.00 31.21 H new ATOM 1062 N ILE A 69 -9.555 -13.359 -16.376 1.00 4.02 N ATOM 1063 CA ILE A 69 -9.645 -11.923 -16.141 1.00 72.24 C ATOM 1064 C ILE A 69 -8.336 -11.225 -16.494 1.00 54.14 C ATOM 1065 O ILE A 69 -7.446 -11.093 -15.655 1.00 14.13 O ATOM 1066 CB ILE A 69 -10.000 -11.614 -14.675 1.00 1.40 C ATOM 1067 CG1 ILE A 69 -11.200 -12.452 -14.230 1.00 10.32 C ATOM 1068 CG2 ILE A 69 -10.290 -10.130 -14.502 1.00 64.11 C ATOM 1069 CD1 ILE A 69 -12.350 -12.430 -15.212 1.00 61.25 C ATOM 0 H ILE A 69 -8.939 -13.854 -15.731 1.00 4.02 H new ATOM 0 HA ILE A 69 -10.439 -11.547 -16.786 1.00 72.24 H new ATOM 0 HB ILE A 69 -9.147 -11.874 -14.048 1.00 1.40 H new ATOM 0 HG12 ILE A 69 -10.878 -13.483 -14.083 1.00 10.32 H new ATOM 0 HG13 ILE A 69 -11.550 -12.086 -13.265 1.00 10.32 H new ATOM 0 HG21 ILE A 69 -10.539 -9.927 -13.461 1.00 64.11 H new ATOM 0 HG22 ILE A 69 -9.410 -9.552 -14.784 1.00 64.11 H new ATOM 0 HG23 ILE A 69 -11.129 -9.847 -15.138 1.00 64.11 H new ATOM 0 HD11 ILE A 69 -13.165 -13.045 -14.831 1.00 61.25 H new ATOM 0 HD12 ILE A 69 -12.698 -11.405 -15.341 1.00 61.25 H new ATOM 0 HD13 ILE A 69 -12.016 -12.824 -16.172 1.00 61.25 H new ATOM 1081 N GLN A 70 -8.228 -10.778 -17.742 1.00 20.44 N ATOM 1082 CA GLN A 70 -7.028 -10.092 -18.205 1.00 61.11 C ATOM 1083 C GLN A 70 -7.038 -8.628 -17.777 1.00 73.32 C ATOM 1084 O GLN A 70 -7.766 -7.811 -18.342 1.00 3.13 O ATOM 1085 CB GLN A 70 -6.915 -10.190 -19.727 1.00 43.15 C ATOM 1086 CG GLN A 70 -5.550 -9.789 -20.263 1.00 42.01 C ATOM 1087 CD GLN A 70 -5.629 -8.675 -21.289 1.00 34.34 C ATOM 1088 OE1 GLN A 70 -5.174 -8.826 -22.423 1.00 30.34 O ATOM 1089 NE2 GLN A 70 -6.210 -7.548 -20.895 1.00 12.02 N ATOM 0 H GLN A 70 -8.956 -10.879 -18.449 1.00 20.44 H new ATOM 0 HA GLN A 70 -6.164 -10.578 -17.751 1.00 61.11 H new ATOM 0 HB2 GLN A 70 -7.130 -11.214 -20.034 1.00 43.15 H new ATOM 0 HB3 GLN A 70 -7.675 -9.555 -20.181 1.00 43.15 H new ATOM 0 HG2 GLN A 70 -4.918 -9.470 -19.434 1.00 42.01 H new ATOM 0 HG3 GLN A 70 -5.071 -10.659 -20.713 1.00 42.01 H new ATOM 0 HE21 GLN A 70 -6.573 -7.466 -19.945 1.00 12.02 H new ATOM 0 HE22 GLN A 70 -6.293 -6.764 -21.542 1.00 12.02 H new ATOM 1098 N PHE A 71 -6.227 -8.304 -16.776 1.00 0.10 N ATOM 1099 CA PHE A 71 -6.144 -6.938 -16.271 1.00 62.32 C ATOM 1100 C PHE A 71 -4.776 -6.331 -16.568 1.00 41.03 C ATOM 1101 O PHE A 71 -3.741 -6.931 -16.277 1.00 11.11 O ATOM 1102 CB PHE A 71 -6.410 -6.912 -14.765 1.00 4.14 C ATOM 1103 CG PHE A 71 -5.224 -7.323 -13.939 1.00 41.13 C ATOM 1104 CD1 PHE A 71 -4.784 -8.637 -13.941 1.00 13.13 C ATOM 1105 CD2 PHE A 71 -4.549 -6.395 -13.163 1.00 24.33 C ATOM 1106 CE1 PHE A 71 -3.694 -9.018 -13.182 1.00 0.24 C ATOM 1107 CE2 PHE A 71 -3.457 -6.770 -12.402 1.00 33.32 C ATOM 1108 CZ PHE A 71 -3.029 -8.083 -12.412 1.00 61.22 C ATOM 0 H PHE A 71 -5.618 -8.968 -16.298 1.00 0.10 H new ATOM 0 HA PHE A 71 -6.904 -6.343 -16.777 1.00 62.32 H new ATOM 0 HB2 PHE A 71 -6.713 -5.906 -14.475 1.00 4.14 H new ATOM 0 HB3 PHE A 71 -7.246 -7.574 -14.540 1.00 4.14 H new ATOM 0 HD1 PHE A 71 -5.299 -9.372 -14.543 1.00 13.13 H new ATOM 0 HD2 PHE A 71 -4.879 -5.367 -13.152 1.00 24.33 H new ATOM 0 HE1 PHE A 71 -3.362 -10.046 -13.191 1.00 0.24 H new ATOM 0 HE2 PHE A 71 -2.940 -6.037 -11.801 1.00 33.32 H new ATOM 0 HZ PHE A 71 -2.176 -8.378 -11.819 1.00 61.22 H new ATOM 1118 N VAL A 72 -4.779 -5.136 -17.151 1.00 74.32 N ATOM 1119 CA VAL A 72 -3.540 -4.446 -17.488 1.00 61.30 C ATOM 1120 C VAL A 72 -3.542 -3.019 -16.951 1.00 62.51 C ATOM 1121 O VAL A 72 -4.599 -2.417 -16.761 1.00 74.21 O ATOM 1122 CB VAL A 72 -3.314 -4.410 -19.011 1.00 51.42 C ATOM 1123 CG1 VAL A 72 -3.566 -5.780 -19.622 1.00 10.23 C ATOM 1124 CG2 VAL A 72 -4.204 -3.358 -19.656 1.00 42.31 C ATOM 0 H VAL A 72 -5.627 -4.626 -17.400 1.00 74.32 H new ATOM 0 HA VAL A 72 -2.729 -5.005 -17.021 1.00 61.30 H new ATOM 0 HB VAL A 72 -2.275 -4.141 -19.200 1.00 51.42 H new ATOM 0 HG11 VAL A 72 -3.401 -5.734 -20.699 1.00 10.23 H new ATOM 0 HG12 VAL A 72 -2.883 -6.506 -19.181 1.00 10.23 H new ATOM 0 HG13 VAL A 72 -4.594 -6.083 -19.425 1.00 10.23 H new ATOM 0 HG21 VAL A 72 -4.032 -3.346 -20.732 1.00 42.31 H new ATOM 0 HG22 VAL A 72 -5.249 -3.595 -19.459 1.00 42.31 H new ATOM 0 HG23 VAL A 72 -3.969 -2.378 -19.240 1.00 42.31 H new ATOM 1134 N LEU A 73 -2.351 -2.483 -16.708 1.00 60.14 N ATOM 1135 CA LEU A 73 -2.214 -1.125 -16.193 1.00 71.23 C ATOM 1136 C LEU A 73 -1.085 -0.385 -16.903 1.00 25.15 C ATOM 1137 O LEU A 73 -0.098 -0.992 -17.321 1.00 15.21 O ATOM 1138 CB LEU A 73 -1.953 -1.154 -14.686 1.00 70.14 C ATOM 1139 CG LEU A 73 -0.554 -1.597 -14.256 1.00 11.21 C ATOM 1140 CD1 LEU A 73 -0.173 -2.901 -14.939 1.00 72.10 C ATOM 1141 CD2 LEU A 73 0.467 -0.512 -14.566 1.00 24.24 C ATOM 0 H LEU A 73 -1.466 -2.968 -16.859 1.00 60.14 H new ATOM 0 HA LEU A 73 -3.147 -0.594 -16.383 1.00 71.23 H new ATOM 0 HB2 LEU A 73 -2.135 -0.156 -14.287 1.00 70.14 H new ATOM 0 HB3 LEU A 73 -2.681 -1.820 -14.224 1.00 70.14 H new ATOM 0 HG LEU A 73 -0.562 -1.764 -13.179 1.00 11.21 H new ATOM 0 HD11 LEU A 73 0.826 -3.200 -14.621 1.00 72.10 H new ATOM 0 HD12 LEU A 73 -0.888 -3.677 -14.667 1.00 72.10 H new ATOM 0 HD13 LEU A 73 -0.183 -2.762 -16.020 1.00 72.10 H new ATOM 0 HD21 LEU A 73 1.457 -0.844 -14.253 1.00 24.24 H new ATOM 0 HD22 LEU A 73 0.473 -0.313 -15.638 1.00 24.24 H new ATOM 0 HD23 LEU A 73 0.204 0.399 -14.029 1.00 24.24 H new ATOM 1153 N TRP A 74 -1.235 0.928 -17.032 1.00 3.10 N ATOM 1154 CA TRP A 74 -0.226 1.751 -17.689 1.00 4.53 C ATOM 1155 C TRP A 74 0.629 2.487 -16.662 1.00 55.54 C ATOM 1156 O TRP A 74 0.124 2.951 -15.639 1.00 53.32 O ATOM 1157 CB TRP A 74 -0.892 2.756 -18.631 1.00 25.23 C ATOM 1158 CG TRP A 74 -0.633 4.184 -18.256 1.00 30.34 C ATOM 1159 CD1 TRP A 74 -1.224 4.885 -17.244 1.00 0.13 C ATOM 1160 CD2 TRP A 74 0.282 5.084 -18.889 1.00 62.04 C ATOM 1161 NE1 TRP A 74 -0.731 6.167 -17.210 1.00 52.33 N ATOM 1162 CE2 TRP A 74 0.195 6.314 -18.209 1.00 13.31 C ATOM 1163 CE3 TRP A 74 1.168 4.970 -19.964 1.00 5.23 C ATOM 1164 CZ2 TRP A 74 0.959 7.420 -18.570 1.00 42.44 C ATOM 1165 CZ3 TRP A 74 1.926 6.069 -20.321 1.00 62.04 C ATOM 1166 CH2 TRP A 74 1.819 7.281 -19.626 1.00 75.21 C ATOM 0 H TRP A 74 -2.045 1.446 -16.691 1.00 3.10 H new ATOM 0 HA TRP A 74 0.422 1.094 -18.269 1.00 4.53 H new ATOM 0 HB2 TRP A 74 -0.534 2.584 -19.646 1.00 25.23 H new ATOM 0 HB3 TRP A 74 -1.968 2.579 -18.638 1.00 25.23 H new ATOM 0 HD1 TRP A 74 -1.969 4.490 -16.570 1.00 0.13 H new ATOM 0 HE1 TRP A 74 -1.009 6.892 -16.548 1.00 52.33 H new ATOM 0 HE3 TRP A 74 1.259 4.040 -20.506 1.00 5.23 H new ATOM 0 HZ2 TRP A 74 0.876 8.355 -18.036 1.00 42.44 H new ATOM 0 HZ3 TRP A 74 2.613 5.992 -21.151 1.00 62.04 H new ATOM 0 HH2 TRP A 74 2.426 8.121 -19.929 1.00 75.21 H new ATOM 1177 N CYS A 75 1.923 2.591 -16.942 1.00 10.22 N ATOM 1178 CA CYS A 75 2.847 3.271 -16.041 1.00 44.24 C ATOM 1179 C CYS A 75 2.833 4.777 -16.283 1.00 14.14 C ATOM 1180 O CYS A 75 3.096 5.257 -17.386 1.00 21.44 O ATOM 1181 CB CYS A 75 4.265 2.727 -16.226 1.00 33.23 C ATOM 1182 SG CYS A 75 4.892 1.805 -14.802 1.00 43.14 S ATOM 0 H CYS A 75 2.356 2.214 -17.785 1.00 10.22 H new ATOM 0 HA CYS A 75 2.523 3.082 -15.018 1.00 44.24 H new ATOM 0 HB2 CYS A 75 4.283 2.078 -17.102 1.00 33.23 H new ATOM 0 HB3 CYS A 75 4.938 3.559 -16.432 1.00 33.23 H new ATOM 0 HG CYS A 75 5.875 1.041 -15.178 1.00 43.14 H new ATOM 1188 N PRO A 76 2.516 5.543 -15.228 1.00 34.52 N ATOM 1189 CA PRO A 76 2.457 7.005 -15.300 1.00 44.52 C ATOM 1190 C PRO A 76 3.837 7.633 -15.465 1.00 3.11 C ATOM 1191 O PRO A 76 4.808 7.192 -14.849 1.00 52.00 O ATOM 1192 CB PRO A 76 1.846 7.403 -13.954 1.00 43.23 C ATOM 1193 CG PRO A 76 2.189 6.281 -13.036 1.00 43.31 C ATOM 1194 CD PRO A 76 2.190 5.039 -13.883 1.00 21.31 C ATOM 0 HA PRO A 76 1.884 7.348 -16.161 1.00 44.52 H new ATOM 0 HB2 PRO A 76 2.257 8.347 -13.596 1.00 43.23 H new ATOM 0 HB3 PRO A 76 0.767 7.535 -14.032 1.00 43.23 H new ATOM 0 HG2 PRO A 76 3.163 6.439 -12.574 1.00 43.31 H new ATOM 0 HG3 PRO A 76 1.462 6.202 -12.228 1.00 43.31 H new ATOM 0 HD2 PRO A 76 2.928 4.316 -13.535 1.00 21.31 H new ATOM 0 HD3 PRO A 76 1.221 4.540 -13.865 1.00 21.31 H new ATOM 1202 N ASP A 77 3.917 8.664 -16.299 1.00 4.13 N ATOM 1203 CA ASP A 77 5.179 9.354 -16.543 1.00 70.41 C ATOM 1204 C ASP A 77 5.380 10.490 -15.545 1.00 34.41 C ATOM 1205 O ASP A 77 6.374 11.212 -15.604 1.00 34.14 O ATOM 1206 CB ASP A 77 5.218 9.900 -17.971 1.00 52.01 C ATOM 1207 CG ASP A 77 5.186 8.799 -19.013 1.00 44.42 C ATOM 1208 OD1 ASP A 77 5.392 7.625 -18.642 1.00 12.23 O ATOM 1209 OD2 ASP A 77 4.957 9.112 -20.201 1.00 1.35 O ATOM 0 H ASP A 77 3.123 9.040 -16.817 1.00 4.13 H new ATOM 0 HA ASP A 77 5.988 8.635 -16.415 1.00 70.41 H new ATOM 0 HB2 ASP A 77 4.370 10.567 -18.125 1.00 52.01 H new ATOM 0 HB3 ASP A 77 6.121 10.496 -18.104 1.00 52.01 H new ATOM 1214 N ASN A 78 4.428 10.642 -14.630 1.00 33.41 N ATOM 1215 CA ASN A 78 4.499 11.691 -13.620 1.00 22.03 C ATOM 1216 C ASN A 78 5.268 11.213 -12.392 1.00 30.42 C ATOM 1217 O ASN A 78 5.931 11.999 -11.717 1.00 12.35 O ATOM 1218 CB ASN A 78 3.092 12.134 -13.214 1.00 30.43 C ATOM 1219 CG ASN A 78 3.060 13.560 -12.700 1.00 2.01 C ATOM 1220 OD1 ASN A 78 3.786 14.425 -13.191 1.00 22.32 O ATOM 1221 ND2 ASN A 78 2.216 13.812 -11.706 1.00 43.11 N ATOM 0 H ASN A 78 3.598 10.052 -14.567 1.00 33.41 H new ATOM 0 HA ASN A 78 5.029 12.540 -14.051 1.00 22.03 H new ATOM 0 HB2 ASN A 78 2.425 12.045 -14.071 1.00 30.43 H new ATOM 0 HB3 ASN A 78 2.712 11.464 -12.443 1.00 30.43 H new ATOM 0 HD21 ASN A 78 2.151 14.753 -11.319 1.00 43.11 H new ATOM 0 HD22 ASN A 78 1.633 13.064 -11.330 1.00 43.11 H new ATOM 1228 N ALA A 79 5.174 9.917 -12.110 1.00 5.25 N ATOM 1229 CA ALA A 79 5.863 9.333 -10.965 1.00 51.22 C ATOM 1230 C ALA A 79 5.491 7.865 -10.792 1.00 33.44 C ATOM 1231 O ALA A 79 4.724 7.495 -9.902 1.00 74.45 O ATOM 1232 CB ALA A 79 5.540 10.114 -9.700 1.00 43.51 C ATOM 0 H ALA A 79 4.628 9.252 -12.658 1.00 5.25 H new ATOM 0 HA ALA A 79 6.936 9.390 -11.150 1.00 51.22 H new ATOM 0 HB1 ALA A 79 6.061 9.667 -8.853 1.00 43.51 H new ATOM 0 HB2 ALA A 79 5.862 11.149 -9.819 1.00 43.51 H new ATOM 0 HB3 ALA A 79 4.465 10.087 -9.520 1.00 43.51 H new ATOM 1238 N PRO A 80 6.045 7.006 -11.660 1.00 50.14 N ATOM 1239 CA PRO A 80 5.785 5.564 -11.623 1.00 62.12 C ATOM 1240 C PRO A 80 6.415 4.893 -10.408 1.00 20.45 C ATOM 1241 O PRO A 80 5.962 3.837 -9.964 1.00 50.23 O ATOM 1242 CB PRO A 80 6.434 5.053 -12.912 1.00 42.21 C ATOM 1243 CG PRO A 80 7.494 6.052 -13.224 1.00 4.20 C ATOM 1244 CD PRO A 80 6.968 7.377 -12.746 1.00 5.33 C ATOM 0 HA PRO A 80 4.720 5.344 -11.549 1.00 62.12 H new ATOM 0 HB2 PRO A 80 6.856 4.057 -12.775 1.00 42.21 H new ATOM 0 HB3 PRO A 80 5.706 4.982 -13.721 1.00 42.21 H new ATOM 0 HG2 PRO A 80 8.428 5.799 -12.723 1.00 4.20 H new ATOM 0 HG3 PRO A 80 7.703 6.078 -14.293 1.00 4.20 H new ATOM 0 HD2 PRO A 80 7.770 8.023 -12.389 1.00 5.33 H new ATOM 0 HD3 PRO A 80 6.455 7.917 -13.542 1.00 5.33 H new ATOM 1252 N VAL A 81 7.462 5.512 -9.872 1.00 23.43 N ATOM 1253 CA VAL A 81 8.153 4.975 -8.706 1.00 25.53 C ATOM 1254 C VAL A 81 7.176 4.687 -7.572 1.00 21.24 C ATOM 1255 O VAL A 81 7.435 3.843 -6.713 1.00 15.10 O ATOM 1256 CB VAL A 81 9.238 5.944 -8.200 1.00 42.22 C ATOM 1257 CG1 VAL A 81 8.638 7.311 -7.908 1.00 44.21 C ATOM 1258 CG2 VAL A 81 9.924 5.379 -6.966 1.00 21.04 C ATOM 0 H VAL A 81 7.850 6.386 -10.227 1.00 23.43 H new ATOM 0 HA VAL A 81 8.626 4.044 -9.020 1.00 25.53 H new ATOM 0 HB VAL A 81 9.988 6.062 -8.982 1.00 42.22 H new ATOM 0 HG11 VAL A 81 9.419 7.983 -7.552 1.00 44.21 H new ATOM 0 HG12 VAL A 81 8.198 7.717 -8.819 1.00 44.21 H new ATOM 0 HG13 VAL A 81 7.866 7.214 -7.144 1.00 44.21 H new ATOM 0 HG21 VAL A 81 10.687 6.077 -6.622 1.00 21.04 H new ATOM 0 HG22 VAL A 81 9.187 5.230 -6.177 1.00 21.04 H new ATOM 0 HG23 VAL A 81 10.390 4.425 -7.213 1.00 21.04 H new ATOM 1268 N LYS A 82 6.051 5.393 -7.574 1.00 52.42 N ATOM 1269 CA LYS A 82 5.032 5.214 -6.547 1.00 73.01 C ATOM 1270 C LYS A 82 4.172 3.988 -6.841 1.00 45.53 C ATOM 1271 O LYS A 82 4.140 3.025 -6.075 1.00 53.14 O ATOM 1272 CB LYS A 82 4.147 6.459 -6.454 1.00 4.52 C ATOM 1273 CG LYS A 82 2.737 6.169 -5.970 1.00 2.40 C ATOM 1274 CD LYS A 82 2.009 7.444 -5.577 1.00 23.15 C ATOM 1275 CE LYS A 82 1.028 7.197 -4.441 1.00 10.41 C ATOM 1276 NZ LYS A 82 1.570 7.652 -3.131 1.00 2.43 N ATOM 0 H LYS A 82 5.821 6.096 -8.277 1.00 52.42 H new ATOM 0 HA LYS A 82 5.537 5.062 -5.593 1.00 73.01 H new ATOM 0 HB2 LYS A 82 4.613 7.176 -5.779 1.00 4.52 H new ATOM 0 HB3 LYS A 82 4.095 6.932 -7.435 1.00 4.52 H new ATOM 0 HG2 LYS A 82 2.180 5.658 -6.755 1.00 2.40 H new ATOM 0 HG3 LYS A 82 2.776 5.493 -5.116 1.00 2.40 H new ATOM 0 HD2 LYS A 82 2.734 8.200 -5.275 1.00 23.15 H new ATOM 0 HD3 LYS A 82 1.475 7.841 -6.441 1.00 23.15 H new ATOM 0 HE2 LYS A 82 0.094 7.719 -4.648 1.00 10.41 H new ATOM 0 HE3 LYS A 82 0.794 6.134 -4.388 1.00 10.41 H new ATOM 0 HZ1 LYS A 82 0.872 7.466 -2.383 1.00 2.43 H new ATOM 0 HZ2 LYS A 82 2.448 7.136 -2.921 1.00 2.43 H new ATOM 0 HZ3 LYS A 82 1.769 8.672 -3.173 1.00 2.43 H new ATOM 1290 N PRO A 83 3.461 4.023 -7.978 1.00 32.42 N ATOM 1291 CA PRO A 83 2.590 2.921 -8.400 1.00 1.51 C ATOM 1292 C PRO A 83 3.380 1.685 -8.816 1.00 54.23 C ATOM 1293 O PRO A 83 3.161 0.592 -8.294 1.00 12.24 O ATOM 1294 CB PRO A 83 1.837 3.504 -9.599 1.00 4.13 C ATOM 1295 CG PRO A 83 2.736 4.566 -10.131 1.00 3.33 C ATOM 1296 CD PRO A 83 3.452 5.139 -8.938 1.00 72.33 C ATOM 0 HA PRO A 83 1.939 2.584 -7.594 1.00 1.51 H new ATOM 0 HB2 PRO A 83 1.638 2.740 -10.351 1.00 4.13 H new ATOM 0 HB3 PRO A 83 0.873 3.915 -9.299 1.00 4.13 H new ATOM 0 HG2 PRO A 83 3.444 4.154 -10.850 1.00 3.33 H new ATOM 0 HG3 PRO A 83 2.166 5.336 -10.651 1.00 3.33 H new ATOM 0 HD2 PRO A 83 4.463 5.459 -9.191 1.00 72.33 H new ATOM 0 HD3 PRO A 83 2.933 6.010 -8.537 1.00 72.33 H new ATOM 1304 N ARG A 84 4.298 1.865 -9.760 1.00 4.45 N ATOM 1305 CA ARG A 84 5.120 0.764 -10.246 1.00 70.33 C ATOM 1306 C ARG A 84 5.682 -0.050 -9.084 1.00 75.43 C ATOM 1307 O ARG A 84 5.900 -1.255 -9.206 1.00 72.32 O ATOM 1308 CB ARG A 84 6.265 1.296 -11.110 1.00 53.12 C ATOM 1309 CG ARG A 84 7.049 0.206 -11.821 1.00 25.42 C ATOM 1310 CD ARG A 84 8.237 0.778 -12.579 1.00 21.21 C ATOM 1311 NE ARG A 84 8.100 0.605 -14.023 1.00 13.15 N ATOM 1312 CZ ARG A 84 8.862 1.229 -14.913 1.00 42.42 C ATOM 1313 NH1 ARG A 84 9.811 2.063 -14.510 1.00 63.22 N ATOM 1314 NH2 ARG A 84 8.676 1.020 -16.210 1.00 42.23 N ATOM 0 H ARG A 84 4.491 2.763 -10.203 1.00 4.45 H new ATOM 0 HA ARG A 84 4.489 0.113 -10.851 1.00 70.33 H new ATOM 0 HB2 ARG A 84 5.859 1.983 -11.853 1.00 53.12 H new ATOM 0 HB3 ARG A 84 6.946 1.871 -10.482 1.00 53.12 H new ATOM 0 HG2 ARG A 84 7.399 -0.526 -11.093 1.00 25.42 H new ATOM 0 HG3 ARG A 84 6.394 -0.322 -12.514 1.00 25.42 H new ATOM 0 HD2 ARG A 84 8.337 1.839 -12.349 1.00 21.21 H new ATOM 0 HD3 ARG A 84 9.151 0.291 -12.241 1.00 21.21 H new ATOM 0 HE ARG A 84 7.379 -0.030 -14.366 1.00 13.15 H new ATOM 0 HH11 ARG A 84 9.957 2.226 -13.514 1.00 63.22 H new ATOM 0 HH12 ARG A 84 10.395 2.541 -15.196 1.00 63.22 H new ATOM 0 HH21 ARG A 84 7.947 0.379 -16.524 1.00 42.23 H new ATOM 0 HH22 ARG A 84 9.262 1.500 -16.893 1.00 42.23 H new ATOM 1328 N MET A 85 5.913 0.617 -7.959 1.00 23.14 N ATOM 1329 CA MET A 85 6.449 -0.045 -6.775 1.00 32.23 C ATOM 1330 C MET A 85 5.323 -0.566 -5.887 1.00 70.42 C ATOM 1331 O MET A 85 5.287 -1.748 -5.542 1.00 35.01 O ATOM 1332 CB MET A 85 7.334 0.918 -5.982 1.00 3.20 C ATOM 1333 CG MET A 85 8.655 1.233 -6.666 1.00 74.14 C ATOM 1334 SD MET A 85 9.762 -0.188 -6.725 1.00 65.44 S ATOM 1335 CE MET A 85 11.319 0.611 -7.107 1.00 41.22 C ATOM 0 H MET A 85 5.738 1.615 -7.842 1.00 23.14 H new ATOM 0 HA MET A 85 7.051 -0.892 -7.105 1.00 32.23 H new ATOM 0 HB2 MET A 85 6.789 1.847 -5.817 1.00 3.20 H new ATOM 0 HB3 MET A 85 7.536 0.489 -5.001 1.00 3.20 H new ATOM 0 HG2 MET A 85 8.461 1.580 -7.681 1.00 74.14 H new ATOM 0 HG3 MET A 85 9.147 2.050 -6.139 1.00 74.14 H new ATOM 0 HE1 MET A 85 12.106 -0.140 -7.177 1.00 41.22 H new ATOM 0 HE2 MET A 85 11.234 1.137 -8.058 1.00 41.22 H new ATOM 0 HE3 MET A 85 11.566 1.323 -6.319 1.00 41.22 H new ATOM 1345 N THR A 86 4.405 0.322 -5.520 1.00 52.32 N ATOM 1346 CA THR A 86 3.279 -0.048 -4.672 1.00 10.10 C ATOM 1347 C THR A 86 2.427 -1.128 -5.329 1.00 41.21 C ATOM 1348 O THR A 86 2.303 -2.237 -4.809 1.00 5.22 O ATOM 1349 CB THR A 86 2.390 1.170 -4.356 1.00 31.45 C ATOM 1350 OG1 THR A 86 3.183 2.224 -3.800 1.00 42.54 O ATOM 1351 CG2 THR A 86 1.284 0.793 -3.381 1.00 51.32 C ATOM 0 H THR A 86 4.419 1.304 -5.797 1.00 52.32 H new ATOM 0 HA THR A 86 3.697 -0.435 -3.743 1.00 10.10 H new ATOM 0 HB THR A 86 1.934 1.511 -5.286 1.00 31.45 H new ATOM 0 HG1 THR A 86 3.572 2.757 -4.524 1.00 42.54 H new ATOM 0 HG21 THR A 86 0.669 1.668 -3.172 1.00 51.32 H new ATOM 0 HG22 THR A 86 0.665 0.010 -3.819 1.00 51.32 H new ATOM 0 HG23 THR A 86 1.725 0.430 -2.453 1.00 51.32 H new ATOM 1359 N TYR A 87 1.842 -0.797 -6.475 1.00 21.30 N ATOM 1360 CA TYR A 87 1.000 -1.739 -7.203 1.00 31.24 C ATOM 1361 C TYR A 87 1.734 -3.056 -7.439 1.00 55.20 C ATOM 1362 O TYR A 87 1.112 -4.105 -7.605 1.00 13.31 O ATOM 1363 CB TYR A 87 0.564 -1.138 -8.540 1.00 20.20 C ATOM 1364 CG TYR A 87 -0.605 -0.186 -8.424 1.00 3.04 C ATOM 1365 CD1 TYR A 87 -0.579 0.870 -7.521 1.00 32.43 C ATOM 1366 CD2 TYR A 87 -1.734 -0.342 -9.218 1.00 13.43 C ATOM 1367 CE1 TYR A 87 -1.645 1.741 -7.411 1.00 11.43 C ATOM 1368 CE2 TYR A 87 -2.804 0.526 -9.116 1.00 14.34 C ATOM 1369 CZ TYR A 87 -2.755 1.566 -8.210 1.00 72.33 C ATOM 1370 OH TYR A 87 -3.819 2.433 -8.105 1.00 25.13 O ATOM 0 H TYR A 87 1.935 0.116 -6.920 1.00 21.30 H new ATOM 0 HA TYR A 87 0.116 -1.940 -6.598 1.00 31.24 H new ATOM 0 HB2 TYR A 87 1.408 -0.611 -8.984 1.00 20.20 H new ATOM 0 HB3 TYR A 87 0.298 -1.945 -9.222 1.00 20.20 H new ATOM 0 HD1 TYR A 87 0.289 1.012 -6.895 1.00 32.43 H new ATOM 0 HD2 TYR A 87 -1.776 -1.156 -9.927 1.00 13.43 H new ATOM 0 HE1 TYR A 87 -1.609 2.555 -6.703 1.00 11.43 H new ATOM 0 HE2 TYR A 87 -3.674 0.391 -9.742 1.00 14.34 H new ATOM 0 HH TYR A 87 -3.897 2.956 -8.930 1.00 25.13 H new ATOM 1380 N ALA A 88 3.061 -2.992 -7.452 1.00 51.23 N ATOM 1381 CA ALA A 88 3.881 -4.178 -7.665 1.00 72.04 C ATOM 1382 C ALA A 88 3.850 -5.093 -6.446 1.00 3.23 C ATOM 1383 O ALA A 88 3.552 -6.282 -6.557 1.00 45.11 O ATOM 1384 CB ALA A 88 5.312 -3.779 -7.992 1.00 41.52 C ATOM 0 H ALA A 88 3.591 -2.131 -7.318 1.00 51.23 H new ATOM 0 HA ALA A 88 3.467 -4.728 -8.510 1.00 72.04 H new ATOM 0 HB1 ALA A 88 5.913 -4.675 -8.149 1.00 41.52 H new ATOM 0 HB2 ALA A 88 5.323 -3.172 -8.897 1.00 41.52 H new ATOM 0 HB3 ALA A 88 5.727 -3.204 -7.165 1.00 41.52 H new ATOM 1390 N SER A 89 4.161 -4.530 -5.282 1.00 71.50 N ATOM 1391 CA SER A 89 4.173 -5.297 -4.042 1.00 24.23 C ATOM 1392 C SER A 89 2.775 -5.375 -3.437 1.00 73.54 C ATOM 1393 O SER A 89 2.588 -5.911 -2.345 1.00 13.43 O ATOM 1394 CB SER A 89 5.141 -4.667 -3.038 1.00 34.14 C ATOM 1395 OG SER A 89 6.384 -5.348 -3.031 1.00 15.23 O ATOM 0 H SER A 89 4.408 -3.546 -5.172 1.00 71.50 H new ATOM 0 HA SER A 89 4.506 -6.309 -4.273 1.00 24.23 H new ATOM 0 HB2 SER A 89 5.299 -3.618 -3.289 1.00 34.14 H new ATOM 0 HB3 SER A 89 4.703 -4.693 -2.040 1.00 34.14 H new ATOM 0 HG SER A 89 6.985 -4.925 -2.383 1.00 15.23 H new ATOM 1401 N SER A 90 1.795 -4.838 -4.157 1.00 1.30 N ATOM 1402 CA SER A 90 0.413 -4.843 -3.691 1.00 42.53 C ATOM 1403 C SER A 90 -0.434 -5.808 -4.514 1.00 71.04 C ATOM 1404 O SER A 90 -1.473 -6.285 -4.058 1.00 73.21 O ATOM 1405 CB SER A 90 -0.178 -3.434 -3.769 1.00 12.32 C ATOM 1406 OG SER A 90 -1.453 -3.381 -3.152 1.00 71.23 O ATOM 0 H SER A 90 1.932 -4.394 -5.065 1.00 1.30 H new ATOM 0 HA SER A 90 0.406 -5.176 -2.653 1.00 42.53 H new ATOM 0 HB2 SER A 90 0.494 -2.727 -3.283 1.00 12.32 H new ATOM 0 HB3 SER A 90 -0.262 -3.129 -4.812 1.00 12.32 H new ATOM 0 HG SER A 90 -1.481 -2.630 -2.523 1.00 71.23 H new ATOM 1412 N LYS A 91 0.018 -6.092 -5.731 1.00 54.23 N ATOM 1413 CA LYS A 91 -0.696 -7.001 -6.620 1.00 70.01 C ATOM 1414 C LYS A 91 -0.918 -8.354 -5.951 1.00 11.42 C ATOM 1415 O LYS A 91 -1.824 -9.100 -6.323 1.00 42.31 O ATOM 1416 CB LYS A 91 0.082 -7.187 -7.925 1.00 20.23 C ATOM 1417 CG LYS A 91 1.210 -8.199 -7.821 1.00 5.42 C ATOM 1418 CD LYS A 91 2.382 -7.821 -8.712 1.00 11.53 C ATOM 1419 CE LYS A 91 3.650 -8.557 -8.308 1.00 73.41 C ATOM 1420 NZ LYS A 91 4.870 -7.904 -8.857 1.00 11.41 N ATOM 0 H LYS A 91 0.876 -5.705 -6.124 1.00 54.23 H new ATOM 0 HA LYS A 91 -1.668 -6.562 -6.843 1.00 70.01 H new ATOM 0 HB2 LYS A 91 -0.608 -7.503 -8.708 1.00 20.23 H new ATOM 0 HB3 LYS A 91 0.494 -6.226 -8.233 1.00 20.23 H new ATOM 0 HG2 LYS A 91 1.545 -8.266 -6.786 1.00 5.42 H new ATOM 0 HG3 LYS A 91 0.842 -9.186 -8.102 1.00 5.42 H new ATOM 0 HD2 LYS A 91 2.141 -8.052 -9.750 1.00 11.53 H new ATOM 0 HD3 LYS A 91 2.551 -6.746 -8.656 1.00 11.53 H new ATOM 0 HE2 LYS A 91 3.717 -8.595 -7.221 1.00 73.41 H new ATOM 0 HE3 LYS A 91 3.600 -9.587 -8.661 1.00 73.41 H new ATOM 0 HZ1 LYS A 91 5.712 -8.436 -8.559 1.00 11.41 H new ATOM 0 HZ2 LYS A 91 4.819 -7.890 -9.896 1.00 11.41 H new ATOM 0 HZ3 LYS A 91 4.932 -6.929 -8.500 1.00 11.41 H new ATOM 1434 N ASP A 92 -0.087 -8.662 -4.961 1.00 72.34 N ATOM 1435 CA ASP A 92 -0.195 -9.924 -4.238 1.00 63.23 C ATOM 1436 C ASP A 92 -1.587 -10.089 -3.637 1.00 70.23 C ATOM 1437 O ASP A 92 -2.018 -11.203 -3.341 1.00 22.21 O ATOM 1438 CB ASP A 92 0.862 -9.996 -3.135 1.00 63.12 C ATOM 1439 CG ASP A 92 1.938 -11.023 -3.430 1.00 42.42 C ATOM 1440 OD1 ASP A 92 2.736 -10.794 -4.363 1.00 50.11 O ATOM 1441 OD2 ASP A 92 1.982 -12.055 -2.729 1.00 31.22 O ATOM 0 H ASP A 92 0.668 -8.056 -4.641 1.00 72.34 H new ATOM 0 HA ASP A 92 -0.026 -10.735 -4.946 1.00 63.23 H new ATOM 0 HB2 ASP A 92 1.323 -9.016 -3.013 1.00 63.12 H new ATOM 0 HB3 ASP A 92 0.379 -10.241 -2.189 1.00 63.12 H new ATOM 1446 N ALA A 93 -2.285 -8.973 -3.459 1.00 53.44 N ATOM 1447 CA ALA A 93 -3.629 -8.994 -2.895 1.00 0.43 C ATOM 1448 C ALA A 93 -4.686 -8.897 -3.989 1.00 51.15 C ATOM 1449 O ALA A 93 -5.598 -9.722 -4.061 1.00 11.22 O ATOM 1450 CB ALA A 93 -3.798 -7.861 -1.893 1.00 53.12 C ATOM 0 H ALA A 93 -1.942 -8.042 -3.697 1.00 53.44 H new ATOM 0 HA ALA A 93 -3.765 -9.945 -2.379 1.00 0.43 H new ATOM 0 HB1 ALA A 93 -4.806 -7.888 -1.479 1.00 53.12 H new ATOM 0 HB2 ALA A 93 -3.072 -7.976 -1.088 1.00 53.12 H new ATOM 0 HB3 ALA A 93 -3.637 -6.906 -2.393 1.00 53.12 H new ATOM 1456 N LEU A 94 -4.559 -7.885 -4.840 1.00 42.33 N ATOM 1457 CA LEU A 94 -5.504 -7.680 -5.932 1.00 53.52 C ATOM 1458 C LEU A 94 -5.703 -8.965 -6.729 1.00 43.34 C ATOM 1459 O LEU A 94 -6.820 -9.469 -6.847 1.00 15.21 O ATOM 1460 CB LEU A 94 -5.013 -6.564 -6.856 1.00 3.31 C ATOM 1461 CG LEU A 94 -5.050 -5.149 -6.278 1.00 12.42 C ATOM 1462 CD1 LEU A 94 -6.349 -4.915 -5.522 1.00 50.11 C ATOM 1463 CD2 LEU A 94 -3.852 -4.912 -5.370 1.00 15.45 C ATOM 0 H LEU A 94 -3.811 -7.193 -4.795 1.00 42.33 H new ATOM 0 HA LEU A 94 -6.462 -7.390 -5.500 1.00 53.52 H new ATOM 0 HB2 LEU A 94 -3.988 -6.788 -7.150 1.00 3.31 H new ATOM 0 HB3 LEU A 94 -5.616 -6.580 -7.764 1.00 3.31 H new ATOM 0 HG LEU A 94 -5.001 -4.439 -7.103 1.00 12.42 H new ATOM 0 HD11 LEU A 94 -6.357 -3.903 -5.118 1.00 50.11 H new ATOM 0 HD12 LEU A 94 -7.193 -5.042 -6.200 1.00 50.11 H new ATOM 0 HD13 LEU A 94 -6.429 -5.633 -4.705 1.00 50.11 H new ATOM 0 HD21 LEU A 94 -3.895 -3.900 -4.968 1.00 15.45 H new ATOM 0 HD22 LEU A 94 -3.870 -5.630 -4.550 1.00 15.45 H new ATOM 0 HD23 LEU A 94 -2.932 -5.037 -5.941 1.00 15.45 H new ATOM 1475 N LEU A 95 -4.611 -9.491 -7.274 1.00 34.43 N ATOM 1476 CA LEU A 95 -4.664 -10.720 -8.058 1.00 75.14 C ATOM 1477 C LEU A 95 -5.207 -11.876 -7.224 1.00 54.11 C ATOM 1478 O LEU A 95 -5.731 -12.852 -7.762 1.00 13.22 O ATOM 1479 CB LEU A 95 -3.273 -11.069 -8.590 1.00 74.42 C ATOM 1480 CG LEU A 95 -2.925 -10.516 -9.972 1.00 42.23 C ATOM 1481 CD1 LEU A 95 -1.427 -10.280 -10.091 1.00 11.14 C ATOM 1482 CD2 LEU A 95 -3.405 -11.462 -11.063 1.00 32.53 C ATOM 0 H LEU A 95 -3.679 -9.086 -7.187 1.00 34.43 H new ATOM 0 HA LEU A 95 -5.338 -10.556 -8.899 1.00 75.14 H new ATOM 0 HB2 LEU A 95 -2.532 -10.705 -7.878 1.00 74.42 H new ATOM 0 HB3 LEU A 95 -3.180 -12.155 -8.621 1.00 74.42 H new ATOM 0 HG LEU A 95 -3.434 -9.561 -10.098 1.00 42.23 H new ATOM 0 HD11 LEU A 95 -1.198 -9.886 -11.081 1.00 11.14 H new ATOM 0 HD12 LEU A 95 -1.110 -9.563 -9.334 1.00 11.14 H new ATOM 0 HD13 LEU A 95 -0.898 -11.221 -9.944 1.00 11.14 H new ATOM 0 HD21 LEU A 95 -3.148 -11.051 -12.040 1.00 32.53 H new ATOM 0 HD22 LEU A 95 -2.925 -12.433 -10.940 1.00 32.53 H new ATOM 0 HD23 LEU A 95 -4.486 -11.580 -10.992 1.00 32.53 H new ATOM 1494 N LYS A 96 -5.081 -11.759 -5.907 1.00 4.43 N ATOM 1495 CA LYS A 96 -5.561 -12.791 -4.996 1.00 72.13 C ATOM 1496 C LYS A 96 -7.006 -12.525 -4.586 1.00 1.14 C ATOM 1497 O LYS A 96 -7.655 -13.374 -3.975 1.00 12.15 O ATOM 1498 CB LYS A 96 -4.671 -12.859 -3.753 1.00 43.15 C ATOM 1499 CG LYS A 96 -3.714 -14.039 -3.754 1.00 53.21 C ATOM 1500 CD LYS A 96 -3.083 -14.244 -5.121 1.00 32.40 C ATOM 1501 CE LYS A 96 -2.298 -13.019 -5.562 1.00 51.34 C ATOM 1502 NZ LYS A 96 -0.899 -13.043 -5.053 1.00 62.54 N ATOM 0 H LYS A 96 -4.650 -10.958 -5.446 1.00 4.43 H new ATOM 0 HA LYS A 96 -5.519 -13.748 -5.517 1.00 72.13 H new ATOM 0 HB2 LYS A 96 -4.096 -11.936 -3.677 1.00 43.15 H new ATOM 0 HB3 LYS A 96 -5.303 -12.915 -2.867 1.00 43.15 H new ATOM 0 HG2 LYS A 96 -2.932 -13.875 -3.012 1.00 53.21 H new ATOM 0 HG3 LYS A 96 -4.248 -14.942 -3.460 1.00 53.21 H new ATOM 0 HD2 LYS A 96 -2.422 -15.110 -5.091 1.00 32.40 H new ATOM 0 HD3 LYS A 96 -3.861 -14.462 -5.853 1.00 32.40 H new ATOM 0 HE2 LYS A 96 -2.287 -12.967 -6.651 1.00 51.34 H new ATOM 0 HE3 LYS A 96 -2.799 -12.119 -5.205 1.00 51.34 H new ATOM 0 HZ1 LYS A 96 -0.263 -12.634 -5.767 1.00 62.54 H new ATOM 0 HZ2 LYS A 96 -0.839 -12.487 -4.176 1.00 62.54 H new ATOM 0 HZ3 LYS A 96 -0.617 -14.025 -4.860 1.00 62.54 H new ATOM 1516 N LYS A 97 -7.504 -11.341 -4.926 1.00 75.32 N ATOM 1517 CA LYS A 97 -8.873 -10.963 -4.596 1.00 34.51 C ATOM 1518 C LYS A 97 -9.839 -11.406 -5.691 1.00 12.34 C ATOM 1519 O LYS A 97 -10.780 -12.158 -5.435 1.00 73.45 O ATOM 1520 CB LYS A 97 -8.972 -9.450 -4.395 1.00 51.41 C ATOM 1521 CG LYS A 97 -8.496 -8.985 -3.030 1.00 2.22 C ATOM 1522 CD LYS A 97 -9.243 -9.689 -1.909 1.00 43.42 C ATOM 1523 CE LYS A 97 -8.375 -10.742 -1.237 1.00 12.54 C ATOM 1524 NZ LYS A 97 -8.933 -11.162 0.079 1.00 45.41 N ATOM 0 H LYS A 97 -6.979 -10.626 -5.430 1.00 75.32 H new ATOM 0 HA LYS A 97 -9.148 -11.465 -3.668 1.00 34.51 H new ATOM 0 HB2 LYS A 97 -8.384 -8.950 -5.165 1.00 51.41 H new ATOM 0 HB3 LYS A 97 -10.008 -9.141 -4.534 1.00 51.41 H new ATOM 0 HG2 LYS A 97 -7.427 -9.176 -2.932 1.00 2.22 H new ATOM 0 HG3 LYS A 97 -8.637 -7.908 -2.942 1.00 2.22 H new ATOM 0 HD2 LYS A 97 -9.566 -8.956 -1.170 1.00 43.42 H new ATOM 0 HD3 LYS A 97 -10.143 -10.158 -2.308 1.00 43.42 H new ATOM 0 HE2 LYS A 97 -8.288 -11.611 -1.889 1.00 12.54 H new ATOM 0 HE3 LYS A 97 -7.369 -10.347 -1.096 1.00 12.54 H new ATOM 0 HZ1 LYS A 97 -8.162 -11.492 0.694 1.00 45.41 H new ATOM 0 HZ2 LYS A 97 -9.412 -10.355 0.527 1.00 45.41 H new ATOM 0 HZ3 LYS A 97 -9.616 -11.934 -0.064 1.00 45.41 H new ATOM 1538 N LEU A 98 -9.600 -10.935 -6.910 1.00 22.34 N ATOM 1539 CA LEU A 98 -10.448 -11.284 -8.044 1.00 41.23 C ATOM 1540 C LEU A 98 -10.371 -12.778 -8.343 1.00 40.41 C ATOM 1541 O LEU A 98 -9.621 -13.512 -7.699 1.00 54.21 O ATOM 1542 CB LEU A 98 -10.034 -10.483 -9.280 1.00 53.13 C ATOM 1543 CG LEU A 98 -8.540 -10.192 -9.423 1.00 21.25 C ATOM 1544 CD1 LEU A 98 -7.729 -11.467 -9.250 1.00 32.30 C ATOM 1545 CD2 LEU A 98 -8.247 -9.550 -10.771 1.00 74.50 C ATOM 0 H LEU A 98 -8.826 -10.311 -7.138 1.00 22.34 H new ATOM 0 HA LEU A 98 -11.478 -11.037 -7.786 1.00 41.23 H new ATOM 0 HB2 LEU A 98 -10.365 -11.024 -10.166 1.00 53.13 H new ATOM 0 HB3 LEU A 98 -10.569 -9.533 -9.269 1.00 53.13 H new ATOM 0 HG LEU A 98 -8.250 -9.492 -8.640 1.00 21.25 H new ATOM 0 HD11 LEU A 98 -6.668 -11.240 -9.355 1.00 32.30 H new ATOM 0 HD12 LEU A 98 -7.915 -11.885 -8.261 1.00 32.30 H new ATOM 0 HD13 LEU A 98 -8.022 -12.191 -10.010 1.00 32.30 H new ATOM 0 HD21 LEU A 98 -7.179 -9.350 -10.854 1.00 74.50 H new ATOM 0 HD22 LEU A 98 -8.553 -10.225 -11.570 1.00 74.50 H new ATOM 0 HD23 LEU A 98 -8.799 -8.614 -10.856 1.00 74.50 H new ATOM 1557 N ASP A 99 -11.149 -13.220 -9.325 1.00 31.03 N ATOM 1558 CA ASP A 99 -11.167 -14.626 -9.712 1.00 1.14 C ATOM 1559 C ASP A 99 -11.042 -14.775 -11.225 1.00 3.33 C ATOM 1560 O ASP A 99 -11.795 -14.166 -11.983 1.00 35.20 O ATOM 1561 CB ASP A 99 -12.454 -15.294 -9.226 1.00 21.43 C ATOM 1562 CG ASP A 99 -12.210 -16.682 -8.665 1.00 3.40 C ATOM 1563 OD1 ASP A 99 -11.567 -17.497 -9.359 1.00 3.34 O ATOM 1564 OD2 ASP A 99 -12.662 -16.952 -7.533 1.00 33.52 O ATOM 0 H ASP A 99 -11.775 -12.625 -9.867 1.00 31.03 H new ATOM 0 HA ASP A 99 -10.313 -15.117 -9.245 1.00 1.14 H new ATOM 0 HB2 ASP A 99 -12.916 -14.672 -8.460 1.00 21.43 H new ATOM 0 HB3 ASP A 99 -13.161 -15.359 -10.053 1.00 21.43 H new ATOM 1569 N GLY A 100 -10.083 -15.588 -11.657 1.00 62.11 N ATOM 1570 CA GLY A 100 -9.875 -15.801 -13.078 1.00 34.14 C ATOM 1571 C GLY A 100 -8.719 -14.988 -13.623 1.00 45.40 C ATOM 1572 O GLY A 100 -8.290 -15.189 -14.759 1.00 34.20 O ATOM 0 H GLY A 100 -9.446 -16.103 -11.049 1.00 62.11 H new ATOM 0 HA2 GLY A 100 -9.688 -16.859 -13.260 1.00 34.14 H new ATOM 0 HA3 GLY A 100 -10.785 -15.540 -13.618 1.00 34.14 H new ATOM 1576 N ALA A 101 -8.212 -14.064 -12.812 1.00 72.32 N ATOM 1577 CA ALA A 101 -7.098 -13.218 -13.220 1.00 1.31 C ATOM 1578 C ALA A 101 -5.799 -14.014 -13.286 1.00 51.14 C ATOM 1579 O ALA A 101 -5.182 -14.304 -12.260 1.00 54.55 O ATOM 1580 CB ALA A 101 -6.951 -12.043 -12.265 1.00 3.35 C ATOM 0 H ALA A 101 -8.556 -13.883 -11.869 1.00 72.32 H new ATOM 0 HA ALA A 101 -7.311 -12.837 -14.219 1.00 1.31 H new ATOM 0 HB1 ALA A 101 -6.115 -11.419 -12.582 1.00 3.35 H new ATOM 0 HB2 ALA A 101 -7.867 -11.452 -12.271 1.00 3.35 H new ATOM 0 HB3 ALA A 101 -6.765 -12.414 -11.257 1.00 3.35 H new ATOM 1586 N THR A 102 -5.388 -14.367 -14.501 1.00 10.25 N ATOM 1587 CA THR A 102 -4.164 -15.131 -14.701 1.00 25.34 C ATOM 1588 C THR A 102 -2.957 -14.210 -14.840 1.00 22.44 C ATOM 1589 O THR A 102 -3.047 -13.011 -14.580 1.00 45.24 O ATOM 1590 CB THR A 102 -4.258 -16.027 -15.950 1.00 53.24 C ATOM 1591 OG1 THR A 102 -4.091 -15.237 -17.133 1.00 2.11 O ATOM 1592 CG2 THR A 102 -5.598 -16.746 -16.000 1.00 62.14 C ATOM 0 H THR A 102 -5.886 -14.135 -15.361 1.00 10.25 H new ATOM 0 HA THR A 102 -4.038 -15.761 -13.820 1.00 25.34 H new ATOM 0 HB THR A 102 -3.465 -16.773 -15.896 1.00 53.24 H new ATOM 0 HG1 THR A 102 -4.150 -15.814 -17.923 1.00 2.11 H new ATOM 0 HG21 THR A 102 -5.642 -17.373 -16.891 1.00 62.14 H new ATOM 0 HG22 THR A 102 -5.710 -17.368 -15.112 1.00 62.14 H new ATOM 0 HG23 THR A 102 -6.404 -16.012 -16.033 1.00 62.14 H new ATOM 1600 N ALA A 103 -1.828 -14.779 -15.251 1.00 33.30 N ATOM 1601 CA ALA A 103 -0.604 -14.008 -15.427 1.00 71.11 C ATOM 1602 C ALA A 103 -0.528 -13.411 -16.828 1.00 52.11 C ATOM 1603 O ALA A 103 0.533 -12.971 -17.270 1.00 25.31 O ATOM 1604 CB ALA A 103 0.613 -14.881 -15.157 1.00 12.44 C ATOM 0 H ALA A 103 -1.736 -15.771 -15.468 1.00 33.30 H new ATOM 0 HA ALA A 103 -0.615 -13.187 -14.710 1.00 71.11 H new ATOM 0 HB1 ALA A 103 1.520 -14.292 -15.292 1.00 12.44 H new ATOM 0 HB2 ALA A 103 0.572 -15.255 -14.134 1.00 12.44 H new ATOM 0 HB3 ALA A 103 0.619 -15.721 -15.851 1.00 12.44 H new ATOM 1610 N VAL A 104 -1.661 -13.399 -17.523 1.00 51.44 N ATOM 1611 CA VAL A 104 -1.723 -12.855 -18.875 1.00 1.22 C ATOM 1612 C VAL A 104 -1.821 -11.334 -18.851 1.00 54.31 C ATOM 1613 O VAL A 104 -1.972 -10.695 -19.892 1.00 42.02 O ATOM 1614 CB VAL A 104 -2.923 -13.424 -19.654 1.00 51.15 C ATOM 1615 CG1 VAL A 104 -4.227 -12.854 -19.118 1.00 53.53 C ATOM 1616 CG2 VAL A 104 -2.777 -13.136 -21.141 1.00 71.21 C ATOM 0 H VAL A 104 -2.548 -13.760 -17.172 1.00 51.44 H new ATOM 0 HA VAL A 104 -0.801 -13.149 -19.377 1.00 1.22 H new ATOM 0 HB VAL A 104 -2.944 -14.505 -19.516 1.00 51.15 H new ATOM 0 HG11 VAL A 104 -5.064 -13.268 -19.681 1.00 53.53 H new ATOM 0 HG12 VAL A 104 -4.333 -13.116 -18.065 1.00 53.53 H new ATOM 0 HG13 VAL A 104 -4.220 -11.769 -19.223 1.00 53.53 H new ATOM 0 HG21 VAL A 104 -3.634 -13.545 -21.677 1.00 71.21 H new ATOM 0 HG22 VAL A 104 -2.730 -12.059 -21.300 1.00 71.21 H new ATOM 0 HG23 VAL A 104 -1.862 -13.598 -21.513 1.00 71.21 H new ATOM 1626 N ALA A 105 -1.735 -10.759 -17.656 1.00 21.22 N ATOM 1627 CA ALA A 105 -1.812 -9.312 -17.496 1.00 64.33 C ATOM 1628 C ALA A 105 -0.728 -8.612 -18.310 1.00 32.24 C ATOM 1629 O ALA A 105 0.199 -9.252 -18.808 1.00 52.45 O ATOM 1630 CB ALA A 105 -1.697 -8.937 -16.026 1.00 43.44 C ATOM 0 H ALA A 105 -1.612 -11.274 -16.784 1.00 21.22 H new ATOM 0 HA ALA A 105 -2.781 -8.980 -17.869 1.00 64.33 H new ATOM 0 HB1 ALA A 105 -1.756 -7.854 -15.921 1.00 43.44 H new ATOM 0 HB2 ALA A 105 -2.510 -9.400 -15.468 1.00 43.44 H new ATOM 0 HB3 ALA A 105 -0.742 -9.288 -15.635 1.00 43.44 H new ATOM 1636 N LEU A 106 -0.851 -7.296 -18.440 1.00 50.12 N ATOM 1637 CA LEU A 106 0.118 -6.508 -19.194 1.00 61.22 C ATOM 1638 C LEU A 106 0.425 -5.195 -18.482 1.00 12.14 C ATOM 1639 O LEU A 106 -0.462 -4.574 -17.896 1.00 23.52 O ATOM 1640 CB LEU A 106 -0.409 -6.227 -20.602 1.00 51.43 C ATOM 1641 CG LEU A 106 0.624 -6.278 -21.728 1.00 40.45 C ATOM 1642 CD1 LEU A 106 1.668 -5.187 -21.545 1.00 23.43 C ATOM 1643 CD2 LEU A 106 1.285 -7.647 -21.785 1.00 35.44 C ATOM 0 H LEU A 106 -1.612 -6.752 -18.033 1.00 50.12 H new ATOM 0 HA LEU A 106 1.040 -7.084 -19.266 1.00 61.22 H new ATOM 0 HB2 LEU A 106 -1.195 -6.948 -20.825 1.00 51.43 H new ATOM 0 HB3 LEU A 106 -0.872 -5.240 -20.605 1.00 51.43 H new ATOM 0 HG LEU A 106 0.110 -6.106 -22.674 1.00 40.45 H new ATOM 0 HD11 LEU A 106 2.395 -5.239 -22.356 1.00 23.43 H new ATOM 0 HD12 LEU A 106 1.181 -4.212 -21.556 1.00 23.43 H new ATOM 0 HD13 LEU A 106 2.177 -5.327 -20.592 1.00 23.43 H new ATOM 0 HD21 LEU A 106 2.017 -7.664 -22.592 1.00 35.44 H new ATOM 0 HD22 LEU A 106 1.785 -7.849 -20.838 1.00 35.44 H new ATOM 0 HD23 LEU A 106 0.527 -8.410 -21.966 1.00 35.44 H new ATOM 1655 N GLU A 107 1.686 -4.777 -18.538 1.00 74.13 N ATOM 1656 CA GLU A 107 2.108 -3.536 -17.899 1.00 71.41 C ATOM 1657 C GLU A 107 3.149 -2.813 -18.749 1.00 72.30 C ATOM 1658 O GLU A 107 4.337 -3.128 -18.695 1.00 61.41 O ATOM 1659 CB GLU A 107 2.678 -3.822 -16.508 1.00 42.22 C ATOM 1660 CG GLU A 107 3.751 -4.897 -16.499 1.00 64.33 C ATOM 1661 CD GLU A 107 5.062 -4.409 -15.912 1.00 35.40 C ATOM 1662 OE1 GLU A 107 5.172 -4.356 -14.669 1.00 51.24 O ATOM 1663 OE2 GLU A 107 5.977 -4.081 -16.696 1.00 73.30 O ATOM 0 H GLU A 107 2.432 -5.279 -19.019 1.00 74.13 H new ATOM 0 HA GLU A 107 1.234 -2.892 -17.801 1.00 71.41 H new ATOM 0 HB2 GLU A 107 3.095 -2.901 -16.099 1.00 42.22 H new ATOM 0 HB3 GLU A 107 1.866 -4.126 -15.847 1.00 42.22 H new ATOM 0 HG2 GLU A 107 3.397 -5.753 -15.925 1.00 64.33 H new ATOM 0 HG3 GLU A 107 3.921 -5.244 -17.518 1.00 64.33 H new ATOM 1670 N ALA A 108 2.692 -1.843 -19.534 1.00 5.43 N ATOM 1671 CA ALA A 108 3.583 -1.074 -20.394 1.00 40.41 C ATOM 1672 C ALA A 108 3.153 0.388 -20.463 1.00 72.34 C ATOM 1673 O ALA A 108 1.963 0.698 -20.405 1.00 14.41 O ATOM 1674 CB ALA A 108 3.624 -1.681 -21.789 1.00 13.43 C ATOM 0 H ALA A 108 1.711 -1.571 -19.592 1.00 5.43 H new ATOM 0 HA ALA A 108 4.584 -1.111 -19.964 1.00 40.41 H new ATOM 0 HB1 ALA A 108 4.293 -1.097 -22.421 1.00 13.43 H new ATOM 0 HB2 ALA A 108 3.986 -2.707 -21.729 1.00 13.43 H new ATOM 0 HB3 ALA A 108 2.622 -1.674 -22.218 1.00 13.43 H new ATOM 1680 N HIS A 109 4.128 1.282 -20.588 1.00 25.14 N ATOM 1681 CA HIS A 109 3.850 2.712 -20.665 1.00 30.43 C ATOM 1682 C HIS A 109 3.963 3.210 -22.102 1.00 53.32 C ATOM 1683 O HIS A 109 5.063 3.420 -22.611 1.00 62.33 O ATOM 1684 CB HIS A 109 4.812 3.489 -19.766 1.00 12.21 C ATOM 1685 CG HIS A 109 6.247 3.102 -19.948 1.00 21.44 C ATOM 1686 ND1 HIS A 109 6.823 2.027 -19.305 1.00 25.53 N ATOM 1687 CD2 HIS A 109 7.223 3.652 -20.707 1.00 23.50 C ATOM 1688 CE1 HIS A 109 8.093 1.933 -19.659 1.00 74.03 C ATOM 1689 NE2 HIS A 109 8.360 2.907 -20.510 1.00 44.21 N ATOM 0 H HIS A 109 5.118 1.042 -20.638 1.00 25.14 H new ATOM 0 HA HIS A 109 2.829 2.878 -20.321 1.00 30.43 H new ATOM 0 HB2 HIS A 109 4.703 4.555 -19.967 1.00 12.21 H new ATOM 0 HB3 HIS A 109 4.531 3.331 -18.725 1.00 12.21 H new ATOM 0 HD2 HIS A 109 7.126 4.516 -21.348 1.00 23.50 H new ATOM 0 HE1 HIS A 109 8.793 1.187 -19.312 1.00 74.03 H new ATOM 0 HE2 HIS A 109 9.264 3.078 -20.950 1.00 44.21 H new ATOM 1697 N GLU A 110 2.817 3.397 -22.750 1.00 42.24 N ATOM 1698 CA GLU A 110 2.789 3.870 -24.130 1.00 31.44 C ATOM 1699 C GLU A 110 1.406 4.401 -24.494 1.00 52.44 C ATOM 1700 O GLU A 110 0.406 4.034 -23.878 1.00 51.12 O ATOM 1701 CB GLU A 110 3.183 2.742 -25.086 1.00 55.24 C ATOM 1702 CG GLU A 110 2.528 1.410 -24.759 1.00 44.35 C ATOM 1703 CD GLU A 110 2.190 0.607 -26.000 1.00 20.50 C ATOM 1704 OE1 GLU A 110 1.812 1.220 -27.020 1.00 64.51 O ATOM 1705 OE2 GLU A 110 2.303 -0.636 -25.950 1.00 24.30 O ATOM 0 H GLU A 110 1.897 3.229 -22.343 1.00 42.24 H new ATOM 0 HA GLU A 110 3.508 4.684 -24.224 1.00 31.44 H new ATOM 0 HB2 GLU A 110 2.915 3.029 -26.103 1.00 55.24 H new ATOM 0 HB3 GLU A 110 4.266 2.620 -25.064 1.00 55.24 H new ATOM 0 HG2 GLU A 110 3.195 0.827 -24.124 1.00 44.35 H new ATOM 0 HG3 GLU A 110 1.618 1.588 -24.186 1.00 44.35 H new ATOM 1712 N MET A 111 1.358 5.269 -25.500 1.00 63.10 N ATOM 1713 CA MET A 111 0.098 5.851 -25.948 1.00 3.14 C ATOM 1714 C MET A 111 -0.626 4.910 -26.905 1.00 21.22 C ATOM 1715 O MET A 111 -1.852 4.817 -26.890 1.00 35.22 O ATOM 1716 CB MET A 111 0.348 7.198 -26.629 1.00 72.23 C ATOM 1717 CG MET A 111 -0.873 7.751 -27.347 1.00 2.14 C ATOM 1718 SD MET A 111 -0.617 9.427 -27.960 1.00 54.32 S ATOM 1719 CE MET A 111 -0.777 9.170 -29.725 1.00 64.45 C ATOM 0 H MET A 111 2.177 5.585 -26.020 1.00 63.10 H new ATOM 0 HA MET A 111 -0.533 6.006 -25.073 1.00 3.14 H new ATOM 0 HB2 MET A 111 0.677 7.919 -25.881 1.00 72.23 H new ATOM 0 HB3 MET A 111 1.162 7.088 -27.345 1.00 72.23 H new ATOM 0 HG2 MET A 111 -1.126 7.097 -28.182 1.00 2.14 H new ATOM 0 HG3 MET A 111 -1.725 7.743 -26.667 1.00 2.14 H new ATOM 0 HE1 MET A 111 -0.643 10.119 -30.244 1.00 64.45 H new ATOM 0 HE2 MET A 111 -0.018 8.463 -30.060 1.00 64.45 H new ATOM 0 HE3 MET A 111 -1.767 8.772 -29.946 1.00 64.45 H new ATOM 1729 N GLY A 112 0.142 4.213 -27.737 1.00 42.23 N ATOM 1730 CA GLY A 112 -0.444 3.289 -28.690 1.00 34.21 C ATOM 1731 C GLY A 112 -1.127 2.116 -28.015 1.00 23.34 C ATOM 1732 O GLY A 112 -1.874 1.373 -28.651 1.00 53.24 O ATOM 0 H GLY A 112 1.160 4.272 -27.768 1.00 42.23 H new ATOM 0 HA2 GLY A 112 -1.168 3.820 -29.309 1.00 34.21 H new ATOM 0 HA3 GLY A 112 0.334 2.918 -29.357 1.00 34.21 H new ATOM 1736 N ASP A 113 -0.868 1.947 -26.723 1.00 33.14 N ATOM 1737 CA ASP A 113 -1.463 0.855 -25.960 1.00 64.03 C ATOM 1738 C ASP A 113 -2.976 1.022 -25.861 1.00 63.01 C ATOM 1739 O ASP A 113 -3.720 0.040 -25.847 1.00 2.52 O ATOM 1740 CB ASP A 113 -0.851 0.790 -24.560 1.00 13.52 C ATOM 1741 CG ASP A 113 -1.704 -0.007 -23.592 1.00 43.41 C ATOM 1742 OD1 ASP A 113 -1.609 -1.252 -23.604 1.00 71.05 O ATOM 1743 OD2 ASP A 113 -2.465 0.615 -22.822 1.00 21.12 O ATOM 0 H ASP A 113 -0.250 2.552 -26.182 1.00 33.14 H new ATOM 0 HA ASP A 113 -1.253 -0.078 -26.483 1.00 64.03 H new ATOM 0 HB2 ASP A 113 0.141 0.341 -24.620 1.00 13.52 H new ATOM 0 HB3 ASP A 113 -0.720 1.802 -24.176 1.00 13.52 H new ATOM 1748 N LEU A 114 -3.425 2.270 -25.792 1.00 5.31 N ATOM 1749 CA LEU A 114 -4.850 2.567 -25.693 1.00 25.41 C ATOM 1750 C LEU A 114 -5.387 3.106 -27.015 1.00 23.22 C ATOM 1751 O LEU A 114 -6.519 3.582 -27.088 1.00 31.11 O ATOM 1752 CB LEU A 114 -5.103 3.579 -24.575 1.00 55.40 C ATOM 1753 CG LEU A 114 -4.165 4.786 -24.537 1.00 13.32 C ATOM 1754 CD1 LEU A 114 -4.921 6.037 -24.114 1.00 61.43 C ATOM 1755 CD2 LEU A 114 -2.997 4.524 -23.598 1.00 1.12 C ATOM 0 H LEU A 114 -2.823 3.093 -25.803 1.00 5.31 H new ATOM 0 HA LEU A 114 -5.374 1.640 -25.461 1.00 25.41 H new ATOM 0 HB2 LEU A 114 -6.127 3.942 -24.666 1.00 55.40 H new ATOM 0 HB3 LEU A 114 -5.033 3.060 -23.619 1.00 55.40 H new ATOM 0 HG LEU A 114 -3.770 4.947 -25.540 1.00 13.32 H new ATOM 0 HD11 LEU A 114 -4.237 6.886 -24.093 1.00 61.43 H new ATOM 0 HD12 LEU A 114 -5.723 6.235 -24.825 1.00 61.43 H new ATOM 0 HD13 LEU A 114 -5.345 5.888 -23.121 1.00 61.43 H new ATOM 0 HD21 LEU A 114 -2.340 5.393 -23.583 1.00 1.12 H new ATOM 0 HD22 LEU A 114 -3.374 4.337 -22.592 1.00 1.12 H new ATOM 0 HD23 LEU A 114 -2.440 3.654 -23.945 1.00 1.12 H new