USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 LYS NZ :NH3+ -129:sc= -3.46! (180deg=-6.22!) USER MOD Set 1.2: A 83 THR OG1 : rot 94:sc= -0.357 USER MOD Set 2.1: A 53 GLN : amide:sc= -1.7! C(o=-6.7!,f=-8.9!) USER MOD Set 2.2: A 69 GLN : amide:sc= -5.04! C(o=-6.7!,f=-9.2!) USER MOD Single : A 0 SER N :NH3+ 179:sc= 0.0822 (180deg=0.082) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0461) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -5:sc= -1.07 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -47:sc=0.000823 USER MOD Single : A 27 HIS : no HE2:sc= -3.86 X(o=-3.9,f=-4.2) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc=-0.00236 (180deg=-0.141) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.309 (180deg=-1.15!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -63:sc= -8.81! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -150:sc= -0.0314 USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.074) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000638) USER MOD Single : A 55 LYS NZ :NH3+ 155:sc= -0.0612 (180deg=-0.463) USER MOD Single : A 56 SER OG : rot -106:sc= 1.09 USER MOD Single : A 70 ASN : amide:sc= -19.3! C(o=-19!,f=-20!) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.11) USER MOD Single : A 79 SER OG : rot 180:sc= 0.108 USER MOD Single : A 84 LYS NZ :NH3+ -164:sc= -0.431 (180deg=-1.14) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 158:sc= 0.0146 (180deg=0.00587) USER MOD Single : A 106 MET CE :methyl -170:sc= -3.74! (180deg=-4.23) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 2.808 -1.055 2.069 1.00 52.43 N ATOM 2 CA SER A 0 2.912 -0.320 0.820 1.00 51.44 C ATOM 3 C SER A 0 3.755 -1.109 -0.183 1.00 63.25 C ATOM 4 O SER A 0 4.974 -0.954 -0.233 1.00 5.10 O ATOM 5 CB SER A 0 3.516 1.068 1.046 1.00 65.44 C ATOM 6 OG SER A 0 3.749 1.755 -0.181 1.00 13.01 O ATOM 0 H1 SER A 0 2.248 -0.504 2.750 1.00 52.43 H new ATOM 0 H2 SER A 0 2.342 -1.969 1.896 1.00 52.43 H new ATOM 0 H3 SER A 0 3.759 -1.219 2.456 1.00 52.43 H new ATOM 0 HA SER A 0 1.908 -0.188 0.416 1.00 51.44 H new ATOM 0 HB2 SER A 0 2.845 1.658 1.670 1.00 65.44 H new ATOM 0 HB3 SER A 0 4.455 0.970 1.591 1.00 65.44 H new ATOM 0 HG SER A 0 4.133 2.637 0.006 1.00 13.01 H new ATOM 12 N MET A 1 3.072 -1.939 -0.958 1.00 65.12 N ATOM 13 CA MET A 1 3.744 -2.753 -1.957 1.00 74.42 C ATOM 14 C MET A 1 5.088 -3.265 -1.435 1.00 52.31 C ATOM 15 O MET A 1 6.069 -3.310 -2.176 1.00 33.52 O ATOM 16 CB MET A 1 3.969 -1.925 -3.224 1.00 22.04 C ATOM 17 CG MET A 1 2.786 -2.059 -4.184 1.00 61.05 C ATOM 18 SD MET A 1 2.803 -3.670 -4.953 1.00 31.25 S ATOM 19 CE MET A 1 1.345 -3.542 -5.974 1.00 41.35 C ATOM 0 H MET A 1 2.061 -2.065 -0.914 1.00 65.12 H new ATOM 0 HA MET A 1 3.113 -3.613 -2.182 1.00 74.42 H new ATOM 0 HB2 MET A 1 4.109 -0.877 -2.958 1.00 22.04 H new ATOM 0 HB3 MET A 1 4.883 -2.253 -3.719 1.00 22.04 H new ATOM 0 HG2 MET A 1 1.850 -1.915 -3.644 1.00 61.05 H new ATOM 0 HG3 MET A 1 2.836 -1.282 -4.947 1.00 61.05 H new ATOM 0 HE1 MET A 1 1.206 -4.470 -6.528 1.00 41.35 H new ATOM 0 HE2 MET A 1 0.474 -3.361 -5.344 1.00 41.35 H new ATOM 0 HE3 MET A 1 1.463 -2.716 -6.675 1.00 41.35 H new ATOM 29 N ALA A 2 5.090 -3.636 -0.163 1.00 72.23 N ATOM 30 CA ALA A 2 6.297 -4.142 0.467 1.00 64.44 C ATOM 31 C ALA A 2 6.517 -5.597 0.044 1.00 13.51 C ATOM 32 O ALA A 2 7.643 -6.002 -0.237 1.00 44.34 O ATOM 33 CB ALA A 2 6.185 -3.987 1.984 1.00 3.25 C ATOM 0 H ALA A 2 4.274 -3.596 0.448 1.00 72.23 H new ATOM 0 HA ALA A 2 7.167 -3.570 0.144 1.00 64.44 H new ATOM 0 HB1 ALA A 2 7.091 -4.367 2.456 1.00 3.25 H new ATOM 0 HB2 ALA A 2 6.060 -2.933 2.234 1.00 3.25 H new ATOM 0 HB3 ALA A 2 5.324 -4.550 2.345 1.00 3.25 H new ATOM 39 N PHE A 3 5.422 -6.342 0.013 1.00 13.22 N ATOM 40 CA PHE A 3 5.480 -7.742 -0.370 1.00 61.21 C ATOM 41 C PHE A 3 6.192 -7.914 -1.714 1.00 10.34 C ATOM 42 O PHE A 3 6.662 -9.004 -2.037 1.00 15.34 O ATOM 43 CB PHE A 3 4.036 -8.229 -0.506 1.00 22.33 C ATOM 44 CG PHE A 3 3.453 -8.814 0.783 1.00 41.24 C ATOM 45 CD1 PHE A 3 3.934 -9.986 1.276 1.00 25.12 C ATOM 46 CD2 PHE A 3 2.454 -8.161 1.434 1.00 74.10 C ATOM 47 CE1 PHE A 3 3.393 -10.529 2.472 1.00 44.43 C ATOM 48 CE2 PHE A 3 1.912 -8.704 2.630 1.00 44.45 C ATOM 49 CZ PHE A 3 2.394 -9.876 3.123 1.00 13.11 C ATOM 0 H PHE A 3 4.489 -6.002 0.247 1.00 13.22 H new ATOM 0 HA PHE A 3 6.032 -8.310 0.379 1.00 61.21 H new ATOM 0 HB2 PHE A 3 3.411 -7.397 -0.830 1.00 22.33 H new ATOM 0 HB3 PHE A 3 3.991 -8.985 -1.289 1.00 22.33 H new ATOM 0 HD1 PHE A 3 4.728 -10.504 0.758 1.00 25.12 H new ATOM 0 HD2 PHE A 3 2.072 -7.230 1.042 1.00 74.10 H new ATOM 0 HE1 PHE A 3 3.775 -11.460 2.864 1.00 44.43 H new ATOM 0 HE2 PHE A 3 1.118 -8.186 3.147 1.00 44.45 H new ATOM 0 HZ PHE A 3 1.983 -10.288 4.033 1.00 13.11 H new ATOM 59 N ALA A 4 6.250 -6.821 -2.460 1.00 55.23 N ATOM 60 CA ALA A 4 6.896 -6.837 -3.761 1.00 42.54 C ATOM 61 C ALA A 4 8.308 -7.408 -3.618 1.00 1.05 C ATOM 62 O ALA A 4 8.892 -7.882 -4.591 1.00 1.21 O ATOM 63 CB ALA A 4 6.896 -5.424 -4.349 1.00 10.21 C ATOM 0 H ALA A 4 5.860 -5.918 -2.188 1.00 55.23 H new ATOM 0 HA ALA A 4 6.349 -7.478 -4.452 1.00 42.54 H new ATOM 0 HB1 ALA A 4 7.381 -5.436 -5.325 1.00 10.21 H new ATOM 0 HB2 ALA A 4 5.869 -5.075 -4.458 1.00 10.21 H new ATOM 0 HB3 ALA A 4 7.438 -4.753 -3.683 1.00 10.21 H new ATOM 69 N SER A 5 8.816 -7.344 -2.395 1.00 70.45 N ATOM 70 CA SER A 5 10.148 -7.850 -2.112 1.00 5.44 C ATOM 71 C SER A 5 10.060 -9.266 -1.539 1.00 42.21 C ATOM 72 O SER A 5 10.769 -10.166 -1.987 1.00 53.34 O ATOM 73 CB SER A 5 10.891 -6.930 -1.140 1.00 52.22 C ATOM 74 OG SER A 5 11.453 -5.799 -1.800 1.00 52.41 O ATOM 0 H SER A 5 8.329 -6.950 -1.590 1.00 70.45 H new ATOM 0 HA SER A 5 10.709 -7.877 -3.046 1.00 5.44 H new ATOM 0 HB2 SER A 5 10.204 -6.593 -0.364 1.00 52.22 H new ATOM 0 HB3 SER A 5 11.683 -7.491 -0.644 1.00 52.22 H new ATOM 0 HG SER A 5 11.917 -5.236 -1.146 1.00 52.41 H new ATOM 80 N VAL A 6 9.184 -9.419 -0.557 1.00 2.01 N ATOM 81 CA VAL A 6 8.994 -10.710 0.082 1.00 60.34 C ATOM 82 C VAL A 6 8.452 -11.707 -0.945 1.00 64.10 C ATOM 83 O VAL A 6 9.107 -12.701 -1.255 1.00 72.42 O ATOM 84 CB VAL A 6 8.088 -10.561 1.305 1.00 12.43 C ATOM 85 CG1 VAL A 6 8.191 -11.785 2.217 1.00 41.20 C ATOM 86 CG2 VAL A 6 8.410 -9.277 2.072 1.00 2.34 C ATOM 0 H VAL A 6 8.598 -8.670 -0.188 1.00 2.01 H new ATOM 0 HA VAL A 6 9.945 -11.100 0.445 1.00 60.34 H new ATOM 0 HB VAL A 6 7.059 -10.492 0.953 1.00 12.43 H new ATOM 0 HG11 VAL A 6 7.537 -11.653 3.079 1.00 41.20 H new ATOM 0 HG12 VAL A 6 7.890 -12.676 1.666 1.00 41.20 H new ATOM 0 HG13 VAL A 6 9.220 -11.900 2.557 1.00 41.20 H new ATOM 0 HG21 VAL A 6 7.752 -9.195 2.937 1.00 2.34 H new ATOM 0 HG22 VAL A 6 9.447 -9.303 2.406 1.00 2.34 H new ATOM 0 HG23 VAL A 6 8.261 -8.416 1.420 1.00 2.34 H new ATOM 96 N LEU A 7 7.262 -11.406 -1.444 1.00 24.32 N ATOM 97 CA LEU A 7 6.625 -12.264 -2.429 1.00 4.40 C ATOM 98 C LEU A 7 6.673 -11.582 -3.798 1.00 74.41 C ATOM 99 O LEU A 7 7.203 -10.480 -3.929 1.00 60.42 O ATOM 100 CB LEU A 7 5.213 -12.640 -1.978 1.00 32.51 C ATOM 101 CG LEU A 7 5.121 -13.561 -0.759 1.00 0.31 C ATOM 102 CD1 LEU A 7 3.829 -13.311 0.021 1.00 54.25 C ATOM 103 CD2 LEU A 7 5.270 -15.028 -1.167 1.00 12.30 C ATOM 0 H LEU A 7 6.722 -10.580 -1.185 1.00 24.32 H new ATOM 0 HA LEU A 7 7.166 -13.206 -2.522 1.00 4.40 H new ATOM 0 HB2 LEU A 7 4.667 -11.723 -1.758 1.00 32.51 H new ATOM 0 HB3 LEU A 7 4.703 -13.122 -2.812 1.00 32.51 H new ATOM 0 HG LEU A 7 5.950 -13.327 -0.091 1.00 0.31 H new ATOM 0 HD11 LEU A 7 3.789 -13.978 0.882 1.00 54.25 H new ATOM 0 HD12 LEU A 7 3.805 -12.276 0.363 1.00 54.25 H new ATOM 0 HD13 LEU A 7 2.972 -13.500 -0.625 1.00 54.25 H new ATOM 0 HD21 LEU A 7 5.201 -15.661 -0.282 1.00 12.30 H new ATOM 0 HD22 LEU A 7 4.477 -15.294 -1.866 1.00 12.30 H new ATOM 0 HD23 LEU A 7 6.239 -15.176 -1.644 1.00 12.30 H new ATOM 115 N LYS A 8 6.111 -12.267 -4.784 1.00 14.33 N ATOM 116 CA LYS A 8 6.082 -11.741 -6.138 1.00 71.41 C ATOM 117 C LYS A 8 4.884 -10.802 -6.291 1.00 32.21 C ATOM 118 O LYS A 8 3.740 -11.212 -6.098 1.00 64.53 O ATOM 119 CB LYS A 8 6.102 -12.883 -7.156 1.00 71.32 C ATOM 120 CG LYS A 8 7.042 -14.003 -6.706 1.00 22.13 C ATOM 121 CD LYS A 8 8.420 -13.448 -6.340 1.00 64.04 C ATOM 122 CE LYS A 8 9.128 -12.881 -7.573 1.00 74.41 C ATOM 123 NZ LYS A 8 9.624 -13.977 -8.435 1.00 62.11 N ATOM 0 H LYS A 8 5.673 -13.181 -4.672 1.00 14.33 H new ATOM 0 HA LYS A 8 6.977 -11.151 -6.337 1.00 71.41 H new ATOM 0 HB2 LYS A 8 5.094 -13.279 -7.284 1.00 71.32 H new ATOM 0 HB3 LYS A 8 6.421 -12.504 -8.127 1.00 71.32 H new ATOM 0 HG2 LYS A 8 6.614 -14.519 -5.847 1.00 22.13 H new ATOM 0 HG3 LYS A 8 7.143 -14.740 -7.503 1.00 22.13 H new ATOM 0 HD2 LYS A 8 8.313 -12.668 -5.587 1.00 64.04 H new ATOM 0 HD3 LYS A 8 9.028 -14.237 -5.898 1.00 64.04 H new ATOM 0 HE2 LYS A 8 8.441 -12.250 -8.136 1.00 74.41 H new ATOM 0 HE3 LYS A 8 9.960 -12.249 -7.263 1.00 74.41 H new ATOM 0 HZ1 LYS A 8 10.203 -13.580 -9.203 1.00 62.11 H new ATOM 0 HZ2 LYS A 8 10.202 -14.630 -7.868 1.00 62.11 H new ATOM 0 HZ3 LYS A 8 8.817 -14.492 -8.841 1.00 62.11 H new ATOM 136 N ASP A 9 5.187 -9.559 -6.636 1.00 21.43 N ATOM 137 CA ASP A 9 4.149 -8.559 -6.817 1.00 3.54 C ATOM 138 C ASP A 9 3.186 -9.021 -7.911 1.00 74.42 C ATOM 139 O ASP A 9 2.030 -8.602 -7.943 1.00 72.05 O ATOM 140 CB ASP A 9 4.746 -7.218 -7.249 1.00 5.25 C ATOM 141 CG ASP A 9 5.750 -7.298 -8.400 1.00 62.15 C ATOM 142 OD1 ASP A 9 6.934 -7.605 -8.196 1.00 30.32 O ATOM 143 OD2 ASP A 9 5.267 -7.025 -9.565 1.00 34.51 O ATOM 0 H ASP A 9 6.136 -9.222 -6.795 1.00 21.43 H new ATOM 0 HA ASP A 9 3.632 -8.435 -5.866 1.00 3.54 H new ATOM 0 HB2 ASP A 9 3.933 -6.553 -7.541 1.00 5.25 H new ATOM 0 HB3 ASP A 9 5.237 -6.762 -6.389 1.00 5.25 H new ATOM 149 N ALA A 10 3.697 -9.880 -8.781 1.00 41.21 N ATOM 150 CA ALA A 10 2.896 -10.404 -9.874 1.00 63.23 C ATOM 151 C ALA A 10 2.046 -11.570 -9.365 1.00 2.23 C ATOM 152 O ALA A 10 1.053 -11.938 -9.989 1.00 53.14 O ATOM 153 CB ALA A 10 3.813 -10.812 -11.029 1.00 22.40 C ATOM 0 H ALA A 10 4.656 -10.226 -8.751 1.00 41.21 H new ATOM 0 HA ALA A 10 2.216 -9.640 -10.251 1.00 63.23 H new ATOM 0 HB1 ALA A 10 3.212 -11.205 -11.849 1.00 22.40 H new ATOM 0 HB2 ALA A 10 4.373 -9.943 -11.374 1.00 22.40 H new ATOM 0 HB3 ALA A 10 4.508 -11.579 -10.688 1.00 22.40 H new ATOM 159 N GLU A 11 2.468 -12.118 -8.235 1.00 32.13 N ATOM 160 CA GLU A 11 1.758 -13.234 -7.634 1.00 33.41 C ATOM 161 C GLU A 11 0.643 -12.724 -6.719 1.00 12.31 C ATOM 162 O GLU A 11 -0.537 -12.944 -6.989 1.00 63.51 O ATOM 163 CB GLU A 11 2.718 -14.148 -6.870 1.00 62.23 C ATOM 164 CG GLU A 11 3.531 -15.016 -7.833 1.00 20.31 C ATOM 165 CD GLU A 11 2.635 -16.031 -8.546 1.00 51.10 C ATOM 166 OE1 GLU A 11 2.559 -16.029 -9.784 1.00 11.33 O ATOM 167 OE2 GLU A 11 2.004 -16.843 -7.767 1.00 72.04 O ATOM 0 H GLU A 11 3.293 -11.810 -7.720 1.00 32.13 H new ATOM 0 HA GLU A 11 1.306 -13.823 -8.432 1.00 33.41 H new ATOM 0 HB2 GLU A 11 3.392 -13.546 -6.260 1.00 62.23 H new ATOM 0 HB3 GLU A 11 2.154 -14.785 -6.188 1.00 62.23 H new ATOM 0 HG2 GLU A 11 4.026 -14.383 -8.569 1.00 20.31 H new ATOM 0 HG3 GLU A 11 4.314 -15.539 -7.284 1.00 20.31 H new ATOM 175 N VAL A 12 1.056 -12.051 -5.655 1.00 52.41 N ATOM 176 CA VAL A 12 0.107 -11.507 -4.699 1.00 14.23 C ATOM 177 C VAL A 12 -1.043 -10.835 -5.453 1.00 24.11 C ATOM 178 O VAL A 12 -2.178 -10.823 -4.979 1.00 4.31 O ATOM 179 CB VAL A 12 0.822 -10.560 -3.732 1.00 74.23 C ATOM 180 CG1 VAL A 12 2.006 -11.256 -3.059 1.00 33.35 C ATOM 181 CG2 VAL A 12 1.270 -9.284 -4.447 1.00 12.54 C ATOM 0 H VAL A 12 2.035 -11.870 -5.434 1.00 52.41 H new ATOM 0 HA VAL A 12 -0.324 -12.304 -4.093 1.00 14.23 H new ATOM 0 HB VAL A 12 0.113 -10.277 -2.954 1.00 74.23 H new ATOM 0 HG11 VAL A 12 2.497 -10.561 -2.377 1.00 33.35 H new ATOM 0 HG12 VAL A 12 1.650 -12.122 -2.501 1.00 33.35 H new ATOM 0 HG13 VAL A 12 2.717 -11.581 -3.819 1.00 33.35 H new ATOM 0 HG21 VAL A 12 1.775 -8.628 -3.738 1.00 12.54 H new ATOM 0 HG22 VAL A 12 1.955 -9.541 -5.255 1.00 12.54 H new ATOM 0 HG23 VAL A 12 0.400 -8.772 -4.858 1.00 12.54 H new ATOM 191 N THR A 13 -0.709 -10.293 -6.615 1.00 4.23 N ATOM 192 CA THR A 13 -1.699 -9.621 -7.439 1.00 44.22 C ATOM 193 C THR A 13 -2.982 -10.450 -7.514 1.00 30.21 C ATOM 194 O THR A 13 -4.073 -9.936 -7.270 1.00 24.43 O ATOM 195 CB THR A 13 -1.069 -9.350 -8.807 1.00 75.23 C ATOM 196 OG1 THR A 13 -1.700 -8.151 -9.248 1.00 41.31 O ATOM 197 CG2 THR A 13 -1.474 -10.390 -9.854 1.00 31.20 C ATOM 0 H THR A 13 0.233 -10.306 -7.005 1.00 4.23 H new ATOM 0 HA THR A 13 -1.993 -8.665 -7.005 1.00 44.22 H new ATOM 0 HB THR A 13 0.017 -9.335 -8.710 1.00 75.23 H new ATOM 0 HG1 THR A 13 -1.349 -7.901 -10.128 1.00 41.31 H new ATOM 0 HG21 THR A 13 -1.000 -10.151 -10.806 1.00 31.20 H new ATOM 0 HG22 THR A 13 -1.154 -11.379 -9.527 1.00 31.20 H new ATOM 0 HG23 THR A 13 -2.557 -10.381 -9.976 1.00 31.20 H new ATOM 205 N ALA A 14 -2.809 -11.719 -7.853 1.00 34.45 N ATOM 206 CA ALA A 14 -3.940 -12.625 -7.963 1.00 33.14 C ATOM 207 C ALA A 14 -4.630 -12.740 -6.602 1.00 30.43 C ATOM 208 O ALA A 14 -5.842 -12.939 -6.531 1.00 1.42 O ATOM 209 CB ALA A 14 -3.461 -13.979 -8.490 1.00 21.02 C ATOM 0 H ALA A 14 -1.903 -12.141 -8.055 1.00 34.45 H new ATOM 0 HA ALA A 14 -4.672 -12.240 -8.673 1.00 33.14 H new ATOM 0 HB1 ALA A 14 -4.310 -14.658 -8.572 1.00 21.02 H new ATOM 0 HB2 ALA A 14 -3.005 -13.847 -9.471 1.00 21.02 H new ATOM 0 HB3 ALA A 14 -2.726 -14.398 -7.802 1.00 21.02 H new ATOM 215 N ALA A 15 -3.828 -12.611 -5.555 1.00 32.51 N ATOM 216 CA ALA A 15 -4.346 -12.699 -4.200 1.00 53.31 C ATOM 217 C ALA A 15 -5.127 -11.424 -3.874 1.00 73.13 C ATOM 218 O ALA A 15 -5.950 -11.413 -2.960 1.00 55.34 O ATOM 219 CB ALA A 15 -3.191 -12.940 -3.226 1.00 52.22 C ATOM 0 H ALA A 15 -2.823 -12.446 -5.618 1.00 32.51 H new ATOM 0 HA ALA A 15 -5.033 -13.540 -4.105 1.00 53.31 H new ATOM 0 HB1 ALA A 15 -3.580 -13.006 -2.210 1.00 52.22 H new ATOM 0 HB2 ALA A 15 -2.687 -13.872 -3.483 1.00 52.22 H new ATOM 0 HB3 ALA A 15 -2.482 -12.114 -3.290 1.00 52.22 H new ATOM 225 N LEU A 16 -4.841 -10.381 -4.640 1.00 35.21 N ATOM 226 CA LEU A 16 -5.507 -9.104 -4.444 1.00 62.31 C ATOM 227 C LEU A 16 -6.791 -9.071 -5.275 1.00 13.24 C ATOM 228 O LEU A 16 -7.829 -8.612 -4.801 1.00 13.33 O ATOM 229 CB LEU A 16 -4.549 -7.950 -4.745 1.00 53.44 C ATOM 230 CG LEU A 16 -3.735 -7.427 -3.560 1.00 51.22 C ATOM 231 CD1 LEU A 16 -2.533 -6.611 -4.038 1.00 44.25 C ATOM 232 CD2 LEU A 16 -4.619 -6.634 -2.595 1.00 44.31 C ATOM 0 H LEU A 16 -4.158 -10.394 -5.397 1.00 35.21 H new ATOM 0 HA LEU A 16 -5.799 -8.982 -3.401 1.00 62.31 H new ATOM 0 HB2 LEU A 16 -3.856 -8.273 -5.522 1.00 53.44 H new ATOM 0 HB3 LEU A 16 -5.127 -7.122 -5.157 1.00 53.44 H new ATOM 0 HG LEU A 16 -3.344 -8.283 -3.010 1.00 51.22 H new ATOM 0 HD11 LEU A 16 -1.972 -6.251 -3.176 1.00 44.25 H new ATOM 0 HD12 LEU A 16 -1.889 -7.239 -4.654 1.00 44.25 H new ATOM 0 HD13 LEU A 16 -2.881 -5.761 -4.625 1.00 44.25 H new ATOM 0 HD21 LEU A 16 -4.016 -6.274 -1.762 1.00 44.31 H new ATOM 0 HD22 LEU A 16 -5.059 -5.785 -3.119 1.00 44.31 H new ATOM 0 HD23 LEU A 16 -5.413 -7.278 -2.216 1.00 44.31 H new ATOM 244 N ASP A 17 -6.679 -9.563 -6.500 1.00 31.25 N ATOM 245 CA ASP A 17 -7.819 -9.595 -7.400 1.00 64.45 C ATOM 246 C ASP A 17 -8.838 -10.616 -6.890 1.00 51.31 C ATOM 247 O ASP A 17 -10.038 -10.466 -7.116 1.00 0.24 O ATOM 248 CB ASP A 17 -7.395 -10.015 -8.810 1.00 10.35 C ATOM 249 CG ASP A 17 -8.329 -9.553 -9.930 1.00 10.31 C ATOM 250 OD1 ASP A 17 -8.225 -8.419 -10.421 1.00 15.22 O ATOM 251 OD2 ASP A 17 -9.205 -10.423 -10.303 1.00 64.44 O ATOM 0 H ASP A 17 -5.816 -9.943 -6.890 1.00 31.25 H new ATOM 0 HA ASP A 17 -8.250 -8.594 -7.435 1.00 64.45 H new ATOM 0 HB2 ASP A 17 -6.397 -9.623 -9.005 1.00 10.35 H new ATOM 0 HB3 ASP A 17 -7.323 -11.102 -8.843 1.00 10.35 H new ATOM 257 N GLY A 18 -8.323 -11.631 -6.212 1.00 11.43 N ATOM 258 CA GLY A 18 -9.174 -12.675 -5.667 1.00 64.55 C ATOM 259 C GLY A 18 -9.940 -12.175 -4.441 1.00 62.50 C ATOM 260 O GLY A 18 -10.776 -12.892 -3.893 1.00 10.34 O ATOM 0 H GLY A 18 -7.327 -11.753 -6.028 1.00 11.43 H new ATOM 0 HA2 GLY A 18 -9.878 -13.009 -6.429 1.00 64.55 H new ATOM 0 HA3 GLY A 18 -8.567 -13.538 -5.394 1.00 64.55 H new ATOM 264 N CYS A 19 -9.627 -10.950 -4.047 1.00 1.04 N ATOM 265 CA CYS A 19 -10.275 -10.346 -2.895 1.00 54.12 C ATOM 266 C CYS A 19 -10.815 -8.976 -3.311 1.00 43.15 C ATOM 267 O CYS A 19 -11.033 -8.108 -2.467 1.00 74.34 O ATOM 268 CB CYS A 19 -9.327 -10.246 -1.699 1.00 65.32 C ATOM 269 SG CYS A 19 -8.023 -9.007 -2.036 1.00 64.33 S ATOM 0 H CYS A 19 -8.933 -10.359 -4.505 1.00 1.04 H new ATOM 0 HA CYS A 19 -11.101 -10.977 -2.568 1.00 54.12 H new ATOM 0 HB2 CYS A 19 -9.884 -9.966 -0.805 1.00 65.32 H new ATOM 0 HB3 CYS A 19 -8.875 -11.218 -1.501 1.00 65.32 H new ATOM 0 HG CYS A 19 -8.147 -8.567 -3.253 1.00 64.33 H new ATOM 275 N LYS A 20 -11.014 -8.824 -4.613 1.00 24.25 N ATOM 276 CA LYS A 20 -11.523 -7.575 -5.151 1.00 52.50 C ATOM 277 C LYS A 20 -13.050 -7.569 -5.058 1.00 73.21 C ATOM 278 O LYS A 20 -13.680 -6.519 -5.180 1.00 25.33 O ATOM 279 CB LYS A 20 -10.992 -7.346 -6.568 1.00 14.43 C ATOM 280 CG LYS A 20 -9.682 -6.556 -6.541 1.00 61.33 C ATOM 281 CD LYS A 20 -9.949 -5.052 -6.468 1.00 55.44 C ATOM 282 CE LYS A 20 -10.085 -4.589 -5.016 1.00 43.44 C ATOM 283 NZ LYS A 20 -9.746 -3.153 -4.897 1.00 12.33 N ATOM 0 H LYS A 20 -10.832 -9.546 -5.310 1.00 24.25 H new ATOM 0 HA LYS A 20 -11.164 -6.732 -4.561 1.00 52.50 H new ATOM 0 HB2 LYS A 20 -10.832 -8.305 -7.060 1.00 14.43 H new ATOM 0 HB3 LYS A 20 -11.734 -6.806 -7.156 1.00 14.43 H new ATOM 0 HG2 LYS A 20 -9.085 -6.865 -5.683 1.00 61.33 H new ATOM 0 HG3 LYS A 20 -9.099 -6.782 -7.433 1.00 61.33 H new ATOM 0 HD2 LYS A 20 -9.136 -4.511 -6.951 1.00 55.44 H new ATOM 0 HD3 LYS A 20 -10.860 -4.814 -7.016 1.00 55.44 H new ATOM 0 HE2 LYS A 20 -11.104 -4.758 -4.668 1.00 43.44 H new ATOM 0 HE3 LYS A 20 -9.428 -5.178 -4.377 1.00 43.44 H new ATOM 0 HZ1 LYS A 20 -9.843 -2.854 -3.906 1.00 12.33 H new ATOM 0 HZ2 LYS A 20 -8.766 -3.001 -5.210 1.00 12.33 H new ATOM 0 HZ3 LYS A 20 -10.390 -2.594 -5.492 1.00 12.33 H new ATOM 296 N ALA A 21 -13.602 -8.754 -4.843 1.00 73.33 N ATOM 297 CA ALA A 21 -15.044 -8.899 -4.733 1.00 21.44 C ATOM 298 C ALA A 21 -15.444 -8.864 -3.256 1.00 62.42 C ATOM 299 O ALA A 21 -15.118 -9.778 -2.499 1.00 54.15 O ATOM 300 CB ALA A 21 -15.482 -10.192 -5.425 1.00 4.22 C ATOM 0 H ALA A 21 -13.077 -9.623 -4.742 1.00 73.33 H new ATOM 0 HA ALA A 21 -15.552 -8.074 -5.232 1.00 21.44 H new ATOM 0 HB1 ALA A 21 -16.563 -10.301 -5.342 1.00 4.22 H new ATOM 0 HB2 ALA A 21 -15.200 -10.155 -6.477 1.00 4.22 H new ATOM 0 HB3 ALA A 21 -14.995 -11.043 -4.949 1.00 4.22 H new ATOM 306 N ALA A 22 -16.144 -7.800 -2.891 1.00 24.52 N ATOM 307 CA ALA A 22 -16.591 -7.634 -1.518 1.00 74.45 C ATOM 308 C ALA A 22 -17.250 -8.930 -1.041 1.00 71.21 C ATOM 309 O ALA A 22 -17.979 -9.574 -1.794 1.00 61.21 O ATOM 310 CB ALA A 22 -17.536 -6.434 -1.431 1.00 43.22 C ATOM 0 H ALA A 22 -16.413 -7.045 -3.522 1.00 24.52 H new ATOM 0 HA ALA A 22 -15.745 -7.432 -0.860 1.00 74.45 H new ATOM 0 HB1 ALA A 22 -17.872 -6.309 -0.402 1.00 43.22 H new ATOM 0 HB2 ALA A 22 -17.012 -5.534 -1.754 1.00 43.22 H new ATOM 0 HB3 ALA A 22 -18.399 -6.603 -2.076 1.00 43.22 H new ATOM 316 N GLY A 23 -16.970 -9.274 0.207 1.00 1.24 N ATOM 317 CA GLY A 23 -17.526 -10.481 0.794 1.00 31.21 C ATOM 318 C GLY A 23 -17.101 -11.721 0.004 1.00 2.24 C ATOM 319 O GLY A 23 -17.793 -12.737 0.017 1.00 33.23 O ATOM 0 H GLY A 23 -16.365 -8.737 0.829 1.00 1.24 H new ATOM 0 HA2 GLY A 23 -17.194 -10.573 1.828 1.00 31.21 H new ATOM 0 HA3 GLY A 23 -18.614 -10.413 0.813 1.00 31.21 H new ATOM 323 N SER A 24 -15.964 -11.596 -0.664 1.00 41.23 N ATOM 324 CA SER A 24 -15.438 -12.693 -1.458 1.00 70.32 C ATOM 325 C SER A 24 -13.980 -12.961 -1.080 1.00 43.22 C ATOM 326 O SER A 24 -13.305 -13.763 -1.724 1.00 42.51 O ATOM 327 CB SER A 24 -15.552 -12.395 -2.954 1.00 53.04 C ATOM 328 OG SER A 24 -15.613 -13.587 -3.733 1.00 53.23 O ATOM 0 H SER A 24 -15.392 -10.751 -0.672 1.00 41.23 H new ATOM 0 HA SER A 24 -16.031 -13.583 -1.246 1.00 70.32 H new ATOM 0 HB2 SER A 24 -16.444 -11.796 -3.137 1.00 53.04 H new ATOM 0 HB3 SER A 24 -14.697 -11.798 -3.271 1.00 53.04 H new ATOM 0 HG SER A 24 -14.910 -14.205 -3.442 1.00 53.23 H new ATOM 334 N PHE A 25 -13.537 -12.274 -0.037 1.00 63.04 N ATOM 335 CA PHE A 25 -12.171 -12.427 0.434 1.00 22.41 C ATOM 336 C PHE A 25 -12.072 -13.547 1.472 1.00 5.02 C ATOM 337 O PHE A 25 -12.939 -13.677 2.335 1.00 64.21 O ATOM 338 CB PHE A 25 -11.773 -11.104 1.090 1.00 42.53 C ATOM 339 CG PHE A 25 -10.541 -11.202 1.992 1.00 43.53 C ATOM 340 CD1 PHE A 25 -10.651 -10.950 3.324 1.00 75.13 C ATOM 341 CD2 PHE A 25 -9.335 -11.540 1.461 1.00 0.15 C ATOM 342 CE1 PHE A 25 -9.508 -11.041 4.161 1.00 71.02 C ATOM 343 CE2 PHE A 25 -8.192 -11.631 2.299 1.00 45.24 C ATOM 344 CZ PHE A 25 -8.302 -11.379 3.631 1.00 73.44 C ATOM 0 H PHE A 25 -14.100 -11.610 0.495 1.00 63.04 H new ATOM 0 HA PHE A 25 -11.516 -12.681 -0.400 1.00 22.41 H new ATOM 0 HB2 PHE A 25 -11.582 -10.367 0.310 1.00 42.53 H new ATOM 0 HB3 PHE A 25 -12.613 -10.735 1.679 1.00 42.53 H new ATOM 0 HD1 PHE A 25 -11.608 -10.681 3.745 1.00 75.13 H new ATOM 0 HD2 PHE A 25 -9.247 -11.739 0.403 1.00 0.15 H new ATOM 0 HE1 PHE A 25 -9.596 -10.842 5.219 1.00 71.02 H new ATOM 0 HE2 PHE A 25 -7.235 -11.901 1.878 1.00 45.24 H new ATOM 0 HZ PHE A 25 -7.432 -11.447 4.267 1.00 73.44 H new ATOM 354 N ASP A 26 -11.007 -14.327 1.355 1.00 41.24 N ATOM 355 CA ASP A 26 -10.783 -15.431 2.272 1.00 30.10 C ATOM 356 C ASP A 26 -9.312 -15.448 2.693 1.00 33.24 C ATOM 357 O ASP A 26 -8.464 -15.978 1.978 1.00 61.33 O ATOM 358 CB ASP A 26 -11.100 -16.772 1.607 1.00 30.25 C ATOM 359 CG ASP A 26 -12.555 -17.227 1.732 1.00 74.44 C ATOM 360 OD1 ASP A 26 -13.464 -16.634 1.131 1.00 3.02 O ATOM 361 OD2 ASP A 26 -12.743 -18.251 2.493 1.00 33.44 O ATOM 0 H ASP A 26 -10.290 -14.216 0.638 1.00 41.24 H new ATOM 0 HA ASP A 26 -11.436 -15.292 3.133 1.00 30.10 H new ATOM 0 HB2 ASP A 26 -10.845 -16.705 0.549 1.00 30.25 H new ATOM 0 HB3 ASP A 26 -10.457 -17.537 2.042 1.00 30.25 H new ATOM 367 N HIS A 27 -9.055 -14.862 3.853 1.00 13.24 N ATOM 368 CA HIS A 27 -7.702 -14.803 4.379 1.00 62.04 C ATOM 369 C HIS A 27 -6.990 -16.131 4.113 1.00 32.23 C ATOM 370 O HIS A 27 -5.930 -16.158 3.491 1.00 44.00 O ATOM 371 CB HIS A 27 -7.710 -14.420 5.860 1.00 71.31 C ATOM 372 CG HIS A 27 -8.446 -15.400 6.743 1.00 5.11 C ATOM 373 ND1 HIS A 27 -9.811 -15.337 6.957 1.00 34.31 N ATOM 374 CD2 HIS A 27 -7.991 -16.466 7.463 1.00 54.21 C ATOM 375 CE1 HIS A 27 -10.153 -16.325 7.771 1.00 21.22 C ATOM 376 NE2 HIS A 27 -9.023 -17.023 8.084 1.00 75.10 N ATOM 0 H HIS A 27 -9.761 -14.424 4.444 1.00 13.24 H new ATOM 0 HA HIS A 27 -7.142 -14.021 3.866 1.00 62.04 H new ATOM 0 HB2 HIS A 27 -6.681 -14.335 6.208 1.00 71.31 H new ATOM 0 HB3 HIS A 27 -8.166 -13.436 5.968 1.00 71.31 H new ATOM 0 HD1 HIS A 27 -10.446 -14.647 6.556 1.00 34.31 H new ATOM 0 HD2 HIS A 27 -6.965 -16.800 7.518 1.00 54.21 H new ATOM 0 HE1 HIS A 27 -11.151 -16.540 8.125 1.00 21.22 H new ATOM 384 N LYS A 28 -7.603 -17.201 4.599 1.00 63.13 N ATOM 385 CA LYS A 28 -7.041 -18.530 4.422 1.00 52.50 C ATOM 386 C LYS A 28 -6.650 -18.722 2.955 1.00 23.15 C ATOM 387 O LYS A 28 -5.568 -19.227 2.659 1.00 31.32 O ATOM 388 CB LYS A 28 -8.008 -19.594 4.945 1.00 2.23 C ATOM 389 CG LYS A 28 -9.376 -19.471 4.271 1.00 64.55 C ATOM 390 CD LYS A 28 -10.483 -20.022 5.172 1.00 42.51 C ATOM 391 CE LYS A 28 -10.303 -21.522 5.408 1.00 62.54 C ATOM 392 NZ LYS A 28 -10.579 -22.279 4.166 1.00 41.12 N ATOM 0 H LYS A 28 -8.483 -17.175 5.115 1.00 63.13 H new ATOM 0 HA LYS A 28 -6.131 -18.641 5.012 1.00 52.50 H new ATOM 0 HB2 LYS A 28 -7.596 -20.586 4.761 1.00 2.23 H new ATOM 0 HB3 LYS A 28 -8.120 -19.490 6.024 1.00 2.23 H new ATOM 0 HG2 LYS A 28 -9.578 -18.425 4.039 1.00 64.55 H new ATOM 0 HG3 LYS A 28 -9.369 -20.012 3.325 1.00 64.55 H new ATOM 0 HD2 LYS A 28 -10.475 -19.497 6.127 1.00 42.51 H new ATOM 0 HD3 LYS A 28 -11.455 -19.836 4.715 1.00 42.51 H new ATOM 0 HE2 LYS A 28 -9.286 -21.724 5.745 1.00 62.54 H new ATOM 0 HE3 LYS A 28 -10.974 -21.855 6.200 1.00 62.54 H new ATOM 0 HZ1 LYS A 28 -10.636 -23.294 4.384 1.00 41.12 H new ATOM 0 HZ2 LYS A 28 -11.482 -21.961 3.759 1.00 41.12 H new ATOM 0 HZ3 LYS A 28 -9.814 -22.114 3.482 1.00 41.12 H new ATOM 405 N LYS A 29 -7.551 -18.309 2.077 1.00 60.04 N ATOM 406 CA LYS A 29 -7.313 -18.430 0.648 1.00 14.31 C ATOM 407 C LYS A 29 -6.099 -17.582 0.264 1.00 23.42 C ATOM 408 O LYS A 29 -5.095 -18.110 -0.212 1.00 23.13 O ATOM 409 CB LYS A 29 -8.580 -18.081 -0.137 1.00 5.21 C ATOM 410 CG LYS A 29 -9.707 -19.067 0.175 1.00 60.24 C ATOM 411 CD LYS A 29 -9.531 -20.367 -0.613 1.00 31.34 C ATOM 412 CE LYS A 29 -9.919 -20.176 -2.080 1.00 70.52 C ATOM 413 NZ LYS A 29 -11.272 -19.586 -2.186 1.00 72.40 N ATOM 0 H LYS A 29 -8.447 -17.890 2.327 1.00 60.04 H new ATOM 0 HA LYS A 29 -7.077 -19.462 0.387 1.00 14.31 H new ATOM 0 HB2 LYS A 29 -8.899 -17.069 0.111 1.00 5.21 H new ATOM 0 HB3 LYS A 29 -8.365 -18.095 -1.206 1.00 5.21 H new ATOM 0 HG2 LYS A 29 -9.720 -19.284 1.243 1.00 60.24 H new ATOM 0 HG3 LYS A 29 -10.668 -18.616 -0.071 1.00 60.24 H new ATOM 0 HD2 LYS A 29 -8.495 -20.699 -0.548 1.00 31.34 H new ATOM 0 HD3 LYS A 29 -10.145 -21.151 -0.170 1.00 31.34 H new ATOM 0 HE2 LYS A 29 -9.194 -19.528 -2.573 1.00 70.52 H new ATOM 0 HE3 LYS A 29 -9.893 -21.135 -2.597 1.00 70.52 H new ATOM 0 HZ1 LYS A 29 -11.671 -19.799 -3.122 1.00 72.40 H new ATOM 0 HZ2 LYS A 29 -11.885 -19.989 -1.449 1.00 72.40 H new ATOM 0 HZ3 LYS A 29 -11.212 -18.555 -2.061 1.00 72.40 H new ATOM 426 N PHE A 30 -6.230 -16.283 0.485 1.00 12.33 N ATOM 427 CA PHE A 30 -5.156 -15.357 0.168 1.00 23.24 C ATOM 428 C PHE A 30 -3.792 -15.965 0.502 1.00 61.53 C ATOM 429 O PHE A 30 -2.971 -16.182 -0.388 1.00 62.51 O ATOM 430 CB PHE A 30 -5.370 -14.111 1.030 1.00 23.54 C ATOM 431 CG PHE A 30 -4.530 -12.907 0.602 1.00 43.50 C ATOM 432 CD1 PHE A 30 -5.141 -11.767 0.180 1.00 63.11 C ATOM 433 CD2 PHE A 30 -3.172 -12.975 0.643 1.00 10.12 C ATOM 434 CE1 PHE A 30 -4.361 -10.649 -0.218 1.00 11.03 C ATOM 435 CE2 PHE A 30 -2.392 -11.857 0.246 1.00 54.45 C ATOM 436 CZ PHE A 30 -3.003 -10.717 -0.177 1.00 35.24 C ATOM 0 H PHE A 30 -7.064 -15.849 0.880 1.00 12.33 H new ATOM 0 HA PHE A 30 -5.169 -15.122 -0.896 1.00 23.24 H new ATOM 0 HB2 PHE A 30 -6.424 -13.836 0.997 1.00 23.54 H new ATOM 0 HB3 PHE A 30 -5.136 -14.354 2.066 1.00 23.54 H new ATOM 0 HD1 PHE A 30 -6.219 -11.712 0.148 1.00 63.11 H new ATOM 0 HD2 PHE A 30 -2.687 -13.880 0.978 1.00 10.12 H new ATOM 0 HE1 PHE A 30 -4.846 -9.744 -0.553 1.00 11.03 H new ATOM 0 HE2 PHE A 30 -1.314 -11.911 0.280 1.00 54.45 H new ATOM 0 HZ PHE A 30 -2.410 -9.867 -0.480 1.00 35.24 H new ATOM 446 N PHE A 31 -3.593 -16.223 1.786 1.00 64.41 N ATOM 447 CA PHE A 31 -2.342 -16.802 2.248 1.00 75.33 C ATOM 448 C PHE A 31 -2.044 -18.114 1.520 1.00 62.44 C ATOM 449 O PHE A 31 -0.888 -18.418 1.228 1.00 2.34 O ATOM 450 CB PHE A 31 -2.507 -17.088 3.742 1.00 41.12 C ATOM 451 CG PHE A 31 -2.424 -15.842 4.626 1.00 35.12 C ATOM 452 CD1 PHE A 31 -3.317 -15.666 5.637 1.00 11.41 C ATOM 453 CD2 PHE A 31 -1.459 -14.911 4.401 1.00 22.35 C ATOM 454 CE1 PHE A 31 -3.241 -14.509 6.458 1.00 64.51 C ATOM 455 CE2 PHE A 31 -1.382 -13.755 5.222 1.00 34.02 C ATOM 456 CZ PHE A 31 -2.275 -13.579 6.233 1.00 0.51 C ATOM 0 H PHE A 31 -4.277 -16.042 2.521 1.00 64.41 H new ATOM 0 HA PHE A 31 -1.519 -16.114 2.054 1.00 75.33 H new ATOM 0 HB2 PHE A 31 -3.469 -17.573 3.905 1.00 41.12 H new ATOM 0 HB3 PHE A 31 -1.737 -17.794 4.054 1.00 41.12 H new ATOM 0 HD1 PHE A 31 -4.084 -16.406 5.815 1.00 11.41 H new ATOM 0 HD2 PHE A 31 -0.751 -15.051 3.598 1.00 22.35 H new ATOM 0 HE1 PHE A 31 -3.950 -14.368 7.260 1.00 64.51 H new ATOM 0 HE2 PHE A 31 -0.615 -13.016 5.044 1.00 34.02 H new ATOM 0 HZ PHE A 31 -2.217 -12.700 6.857 1.00 0.51 H new ATOM 466 N LYS A 32 -3.106 -18.858 1.246 1.00 11.54 N ATOM 467 CA LYS A 32 -2.972 -20.130 0.558 1.00 72.12 C ATOM 468 C LYS A 32 -2.664 -19.876 -0.919 1.00 44.11 C ATOM 469 O LYS A 32 -2.200 -20.772 -1.623 1.00 53.32 O ATOM 470 CB LYS A 32 -4.212 -20.996 0.787 1.00 75.23 C ATOM 471 CG LYS A 32 -3.957 -22.443 0.360 1.00 30.22 C ATOM 472 CD LYS A 32 -5.248 -23.109 -0.121 1.00 22.01 C ATOM 473 CE LYS A 32 -4.961 -24.479 -0.740 1.00 4.53 C ATOM 474 NZ LYS A 32 -6.137 -25.366 -0.602 1.00 23.40 N ATOM 0 H LYS A 32 -4.063 -18.603 1.488 1.00 11.54 H new ATOM 0 HA LYS A 32 -2.135 -20.697 0.966 1.00 72.12 H new ATOM 0 HB2 LYS A 32 -4.490 -20.968 1.841 1.00 75.23 H new ATOM 0 HB3 LYS A 32 -5.053 -20.590 0.224 1.00 75.23 H new ATOM 0 HG2 LYS A 32 -3.214 -22.465 -0.437 1.00 30.22 H new ATOM 0 HG3 LYS A 32 -3.544 -23.005 1.197 1.00 30.22 H new ATOM 0 HD2 LYS A 32 -5.937 -23.221 0.716 1.00 22.01 H new ATOM 0 HD3 LYS A 32 -5.739 -22.470 -0.855 1.00 22.01 H new ATOM 0 HE2 LYS A 32 -4.707 -24.363 -1.794 1.00 4.53 H new ATOM 0 HE3 LYS A 32 -4.098 -24.931 -0.252 1.00 4.53 H new ATOM 0 HZ1 LYS A 32 -5.926 -26.291 -1.027 1.00 23.40 H new ATOM 0 HZ2 LYS A 32 -6.361 -25.491 0.406 1.00 23.40 H new ATOM 0 HZ3 LYS A 32 -6.952 -24.940 -1.088 1.00 23.40 H new ATOM 487 N ALA A 33 -2.933 -18.650 -1.344 1.00 60.45 N ATOM 488 CA ALA A 33 -2.690 -18.267 -2.725 1.00 1.02 C ATOM 489 C ALA A 33 -1.208 -17.928 -2.902 1.00 55.11 C ATOM 490 O ALA A 33 -0.506 -18.582 -3.671 1.00 60.21 O ATOM 491 CB ALA A 33 -3.604 -17.099 -3.099 1.00 12.31 C ATOM 0 H ALA A 33 -3.317 -17.909 -0.757 1.00 60.45 H new ATOM 0 HA ALA A 33 -2.923 -19.091 -3.399 1.00 1.02 H new ATOM 0 HB1 ALA A 33 -3.422 -16.812 -4.135 1.00 12.31 H new ATOM 0 HB2 ALA A 33 -4.645 -17.400 -2.984 1.00 12.31 H new ATOM 0 HB3 ALA A 33 -3.397 -16.251 -2.446 1.00 12.31 H new ATOM 497 N CYS A 34 -0.777 -16.906 -2.178 1.00 14.24 N ATOM 498 CA CYS A 34 0.608 -16.472 -2.245 1.00 53.01 C ATOM 499 C CYS A 34 1.491 -17.602 -1.713 1.00 4.21 C ATOM 500 O CYS A 34 2.684 -17.653 -2.008 1.00 63.35 O ATOM 501 CB CYS A 34 0.829 -15.165 -1.480 1.00 61.53 C ATOM 502 SG CYS A 34 0.099 -15.288 0.193 1.00 33.51 S ATOM 0 H CYS A 34 -1.363 -16.365 -1.542 1.00 14.24 H new ATOM 0 HA CYS A 34 0.876 -16.260 -3.280 1.00 53.01 H new ATOM 0 HB2 CYS A 34 1.896 -14.953 -1.406 1.00 61.53 H new ATOM 0 HB3 CYS A 34 0.377 -14.335 -2.023 1.00 61.53 H new ATOM 0 HG CYS A 34 -1.187 -15.454 0.094 1.00 33.51 H new ATOM 508 N GLY A 35 0.872 -18.479 -0.937 1.00 70.11 N ATOM 509 CA GLY A 35 1.587 -19.605 -0.361 1.00 5.11 C ATOM 510 C GLY A 35 2.078 -19.278 1.051 1.00 21.21 C ATOM 511 O GLY A 35 2.614 -20.144 1.742 1.00 54.32 O ATOM 0 H GLY A 35 -0.117 -18.433 -0.693 1.00 70.11 H new ATOM 0 HA2 GLY A 35 0.934 -20.477 -0.330 1.00 5.11 H new ATOM 0 HA3 GLY A 35 2.436 -19.864 -0.994 1.00 5.11 H new ATOM 515 N LEU A 36 1.878 -18.027 1.438 1.00 53.11 N ATOM 516 CA LEU A 36 2.293 -17.575 2.755 1.00 70.10 C ATOM 517 C LEU A 36 1.949 -18.648 3.790 1.00 75.44 C ATOM 518 O LEU A 36 2.619 -18.766 4.814 1.00 12.22 O ATOM 519 CB LEU A 36 1.689 -16.204 3.066 1.00 32.43 C ATOM 520 CG LEU A 36 2.532 -14.993 2.664 1.00 2.31 C ATOM 521 CD1 LEU A 36 1.643 -13.805 2.291 1.00 33.13 C ATOM 522 CD2 LEU A 36 3.536 -14.635 3.762 1.00 40.31 C ATOM 0 H LEU A 36 1.434 -17.312 0.862 1.00 53.11 H new ATOM 0 HA LEU A 36 3.374 -17.436 2.787 1.00 70.10 H new ATOM 0 HB2 LEU A 36 0.724 -16.132 2.565 1.00 32.43 H new ATOM 0 HB3 LEU A 36 1.497 -16.148 4.137 1.00 32.43 H new ATOM 0 HG LEU A 36 3.106 -15.257 1.776 1.00 2.31 H new ATOM 0 HD11 LEU A 36 2.268 -12.957 2.009 1.00 33.13 H new ATOM 0 HD12 LEU A 36 1.003 -14.079 1.452 1.00 33.13 H new ATOM 0 HD13 LEU A 36 1.024 -13.531 3.145 1.00 33.13 H new ATOM 0 HD21 LEU A 36 4.123 -13.771 3.451 1.00 40.31 H new ATOM 0 HD22 LEU A 36 3.001 -14.398 4.681 1.00 40.31 H new ATOM 0 HD23 LEU A 36 4.201 -15.481 3.937 1.00 40.31 H new ATOM 534 N SER A 37 0.904 -19.404 3.486 1.00 72.34 N ATOM 535 CA SER A 37 0.462 -20.464 4.376 1.00 2.15 C ATOM 536 C SER A 37 1.537 -21.548 4.473 1.00 24.14 C ATOM 537 O SER A 37 1.909 -21.963 5.570 1.00 35.22 O ATOM 538 CB SER A 37 -0.860 -21.069 3.900 1.00 1.30 C ATOM 539 OG SER A 37 -1.983 -20.467 4.538 1.00 0.22 O ATOM 0 H SER A 37 0.350 -19.303 2.635 1.00 72.34 H new ATOM 0 HA SER A 37 0.298 -20.034 5.364 1.00 2.15 H new ATOM 0 HB2 SER A 37 -0.947 -20.946 2.821 1.00 1.30 H new ATOM 0 HB3 SER A 37 -0.861 -22.141 4.100 1.00 1.30 H new ATOM 0 HG SER A 37 -2.808 -20.879 4.206 1.00 0.22 H new ATOM 545 N GLY A 38 2.008 -21.976 3.311 1.00 54.21 N ATOM 546 CA GLY A 38 3.033 -23.004 3.251 1.00 51.32 C ATOM 547 C GLY A 38 4.432 -22.385 3.283 1.00 70.22 C ATOM 548 O GLY A 38 5.429 -23.087 3.119 1.00 33.11 O ATOM 0 H GLY A 38 1.698 -21.629 2.403 1.00 54.21 H new ATOM 0 HA2 GLY A 38 2.915 -23.689 4.090 1.00 51.32 H new ATOM 0 HA3 GLY A 38 2.912 -23.591 2.341 1.00 51.32 H new ATOM 552 N LYS A 39 4.461 -21.078 3.495 1.00 44.31 N ATOM 553 CA LYS A 39 5.722 -20.357 3.551 1.00 52.34 C ATOM 554 C LYS A 39 6.441 -20.695 4.858 1.00 33.21 C ATOM 555 O LYS A 39 6.015 -21.586 5.592 1.00 11.42 O ATOM 556 CB LYS A 39 5.491 -18.858 3.346 1.00 63.14 C ATOM 557 CG LYS A 39 5.353 -18.523 1.859 1.00 4.11 C ATOM 558 CD LYS A 39 6.586 -18.982 1.077 1.00 54.11 C ATOM 559 CE LYS A 39 6.862 -18.052 -0.106 1.00 2.52 C ATOM 560 NZ LYS A 39 7.508 -18.795 -1.210 1.00 62.33 N ATOM 0 H LYS A 39 3.632 -20.499 3.630 1.00 44.31 H new ATOM 0 HA LYS A 39 6.376 -20.670 2.737 1.00 52.34 H new ATOM 0 HB2 LYS A 39 4.591 -18.549 3.877 1.00 63.14 H new ATOM 0 HB3 LYS A 39 6.322 -18.297 3.773 1.00 63.14 H new ATOM 0 HG2 LYS A 39 4.462 -19.004 1.455 1.00 4.11 H new ATOM 0 HG3 LYS A 39 5.219 -17.448 1.736 1.00 4.11 H new ATOM 0 HD2 LYS A 39 7.453 -19.003 1.737 1.00 54.11 H new ATOM 0 HD3 LYS A 39 6.435 -20.000 0.717 1.00 54.11 H new ATOM 0 HE2 LYS A 39 5.928 -17.610 -0.454 1.00 2.52 H new ATOM 0 HE3 LYS A 39 7.504 -17.230 0.212 1.00 2.52 H new ATOM 0 HZ1 LYS A 39 7.688 -18.149 -2.005 1.00 62.33 H new ATOM 0 HZ2 LYS A 39 8.409 -19.196 -0.878 1.00 62.33 H new ATOM 0 HZ3 LYS A 39 6.882 -19.564 -1.524 1.00 62.33 H new ATOM 573 N SER A 40 7.518 -19.967 5.109 1.00 4.22 N ATOM 574 CA SER A 40 8.301 -20.179 6.315 1.00 15.34 C ATOM 575 C SER A 40 7.901 -19.159 7.384 1.00 32.20 C ATOM 576 O SER A 40 7.446 -18.063 7.062 1.00 51.22 O ATOM 577 CB SER A 40 9.799 -20.082 6.024 1.00 63.10 C ATOM 578 OG SER A 40 10.300 -21.264 5.405 1.00 21.01 O ATOM 0 H SER A 40 7.868 -19.229 4.498 1.00 4.22 H new ATOM 0 HA SER A 40 8.095 -21.184 6.684 1.00 15.34 H new ATOM 0 HB2 SER A 40 9.988 -19.226 5.377 1.00 63.10 H new ATOM 0 HB3 SER A 40 10.338 -19.903 6.954 1.00 63.10 H new ATOM 0 HG SER A 40 11.260 -21.162 5.234 1.00 21.01 H new ATOM 584 N THR A 41 8.085 -19.557 8.634 1.00 21.22 N ATOM 585 CA THR A 41 7.749 -18.692 9.752 1.00 4.03 C ATOM 586 C THR A 41 8.693 -17.489 9.797 1.00 10.53 C ATOM 587 O THR A 41 8.468 -16.547 10.556 1.00 40.21 O ATOM 588 CB THR A 41 7.779 -19.535 11.028 1.00 22.54 C ATOM 589 OG1 THR A 41 6.430 -19.963 11.193 1.00 20.42 O ATOM 590 CG2 THR A 41 8.060 -18.698 12.278 1.00 54.24 C ATOM 0 H THR A 41 8.463 -20.467 8.897 1.00 21.22 H new ATOM 0 HA THR A 41 6.747 -18.276 9.643 1.00 4.03 H new ATOM 0 HB THR A 41 8.540 -20.310 10.932 1.00 22.54 H new ATOM 0 HG1 THR A 41 6.238 -20.080 12.147 1.00 20.42 H new ATOM 0 HG21 THR A 41 8.070 -19.346 13.155 1.00 54.24 H new ATOM 0 HG22 THR A 41 9.028 -18.208 12.178 1.00 54.24 H new ATOM 0 HG23 THR A 41 7.282 -17.944 12.393 1.00 54.24 H new ATOM 598 N ASP A 42 9.729 -17.559 8.975 1.00 44.31 N ATOM 599 CA ASP A 42 10.708 -16.487 8.911 1.00 1.52 C ATOM 600 C ASP A 42 10.115 -15.305 8.141 1.00 73.31 C ATOM 601 O ASP A 42 9.937 -14.223 8.698 1.00 73.03 O ATOM 602 CB ASP A 42 11.974 -16.939 8.181 1.00 20.10 C ATOM 603 CG ASP A 42 13.028 -17.607 9.067 1.00 52.22 C ATOM 604 OD1 ASP A 42 12.877 -17.678 10.296 1.00 44.54 O ATOM 605 OD2 ASP A 42 14.053 -18.074 8.437 1.00 14.45 O ATOM 0 H ASP A 42 9.912 -18.342 8.347 1.00 44.31 H new ATOM 0 HA ASP A 42 10.963 -16.203 9.932 1.00 1.52 H new ATOM 0 HB2 ASP A 42 11.691 -17.635 7.391 1.00 20.10 H new ATOM 0 HB3 ASP A 42 12.425 -16.073 7.696 1.00 20.10 H new ATOM 611 N GLU A 43 9.825 -15.553 6.872 1.00 30.11 N ATOM 612 CA GLU A 43 9.255 -14.523 6.020 1.00 63.44 C ATOM 613 C GLU A 43 7.953 -13.995 6.624 1.00 53.04 C ATOM 614 O GLU A 43 7.673 -12.799 6.555 1.00 30.14 O ATOM 615 CB GLU A 43 9.028 -15.050 4.601 1.00 0.32 C ATOM 616 CG GLU A 43 7.699 -15.801 4.502 1.00 61.44 C ATOM 617 CD GLU A 43 7.444 -16.277 3.070 1.00 62.02 C ATOM 618 OE1 GLU A 43 6.503 -15.802 2.417 1.00 43.41 O ATOM 619 OE2 GLU A 43 8.266 -17.173 2.639 1.00 71.14 O ATOM 0 H GLU A 43 9.974 -16.452 6.413 1.00 30.11 H new ATOM 0 HA GLU A 43 9.964 -13.697 5.957 1.00 63.44 H new ATOM 0 HB2 GLU A 43 9.034 -14.219 3.895 1.00 0.32 H new ATOM 0 HB3 GLU A 43 9.846 -15.713 4.320 1.00 0.32 H new ATOM 0 HG2 GLU A 43 7.709 -16.657 5.177 1.00 61.44 H new ATOM 0 HG3 GLU A 43 6.885 -15.151 4.824 1.00 61.44 H new ATOM 627 N VAL A 44 7.191 -14.912 7.201 1.00 33.11 N ATOM 628 CA VAL A 44 5.924 -14.553 7.817 1.00 62.44 C ATOM 629 C VAL A 44 6.128 -13.334 8.719 1.00 73.53 C ATOM 630 O VAL A 44 5.282 -12.442 8.763 1.00 61.33 O ATOM 631 CB VAL A 44 5.345 -15.758 8.561 1.00 15.11 C ATOM 632 CG1 VAL A 44 4.035 -15.391 9.262 1.00 40.11 C ATOM 633 CG2 VAL A 44 5.146 -16.944 7.615 1.00 45.21 C ATOM 0 H VAL A 44 7.426 -15.903 7.255 1.00 33.11 H new ATOM 0 HA VAL A 44 5.194 -14.276 7.057 1.00 62.44 H new ATOM 0 HB VAL A 44 6.063 -16.056 9.325 1.00 15.11 H new ATOM 0 HG11 VAL A 44 3.644 -16.265 9.783 1.00 40.11 H new ATOM 0 HG12 VAL A 44 4.218 -14.592 9.980 1.00 40.11 H new ATOM 0 HG13 VAL A 44 3.308 -15.055 8.522 1.00 40.11 H new ATOM 0 HG21 VAL A 44 4.733 -17.787 8.170 1.00 45.21 H new ATOM 0 HG22 VAL A 44 4.458 -16.662 6.818 1.00 45.21 H new ATOM 0 HG23 VAL A 44 6.105 -17.229 7.182 1.00 45.21 H new ATOM 643 N LYS A 45 7.254 -13.336 9.416 1.00 43.31 N ATOM 644 CA LYS A 45 7.580 -12.241 10.314 1.00 14.13 C ATOM 645 C LYS A 45 7.877 -10.985 9.493 1.00 1.54 C ATOM 646 O LYS A 45 7.592 -9.871 9.931 1.00 2.11 O ATOM 647 CB LYS A 45 8.715 -12.642 11.258 1.00 11.13 C ATOM 648 CG LYS A 45 8.249 -13.703 12.257 1.00 73.42 C ATOM 649 CD LYS A 45 9.394 -14.647 12.629 1.00 61.25 C ATOM 650 CE LYS A 45 8.956 -15.644 13.703 1.00 60.41 C ATOM 651 NZ LYS A 45 8.832 -14.971 15.015 1.00 23.42 N ATOM 0 H LYS A 45 7.952 -14.078 9.377 1.00 43.31 H new ATOM 0 HA LYS A 45 6.730 -12.009 10.956 1.00 14.13 H new ATOM 0 HB2 LYS A 45 9.555 -13.026 10.680 1.00 11.13 H new ATOM 0 HB3 LYS A 45 9.073 -11.764 11.795 1.00 11.13 H new ATOM 0 HG2 LYS A 45 7.866 -13.218 13.155 1.00 73.42 H new ATOM 0 HG3 LYS A 45 7.426 -14.275 11.828 1.00 73.42 H new ATOM 0 HD2 LYS A 45 9.728 -15.186 11.742 1.00 61.25 H new ATOM 0 HD3 LYS A 45 10.244 -14.068 12.990 1.00 61.25 H new ATOM 0 HE2 LYS A 45 8.001 -16.091 13.425 1.00 60.41 H new ATOM 0 HE3 LYS A 45 9.680 -16.456 13.771 1.00 60.41 H new ATOM 0 HZ1 LYS A 45 8.718 -15.685 15.762 1.00 23.42 H new ATOM 0 HZ2 LYS A 45 9.688 -14.410 15.200 1.00 23.42 H new ATOM 0 HZ3 LYS A 45 8.002 -14.344 15.006 1.00 23.42 H new ATOM 664 N LYS A 46 8.446 -11.206 8.318 1.00 43.44 N ATOM 665 CA LYS A 46 8.786 -10.105 7.432 1.00 74.14 C ATOM 666 C LYS A 46 7.526 -9.639 6.699 1.00 13.44 C ATOM 667 O LYS A 46 7.469 -8.512 6.210 1.00 44.33 O ATOM 668 CB LYS A 46 9.929 -10.503 6.496 1.00 73.41 C ATOM 669 CG LYS A 46 10.940 -11.398 7.216 1.00 43.51 C ATOM 670 CD LYS A 46 11.352 -10.789 8.558 1.00 20.31 C ATOM 671 CE LYS A 46 11.820 -9.343 8.384 1.00 62.10 C ATOM 672 NZ LYS A 46 13.112 -9.300 7.662 1.00 13.23 N ATOM 0 H LYS A 46 8.681 -12.131 7.958 1.00 43.44 H new ATOM 0 HA LYS A 46 9.156 -9.255 8.006 1.00 74.14 H new ATOM 0 HB2 LYS A 46 9.528 -11.026 5.628 1.00 73.41 H new ATOM 0 HB3 LYS A 46 10.429 -9.608 6.126 1.00 73.41 H new ATOM 0 HG2 LYS A 46 10.507 -12.385 7.378 1.00 43.51 H new ATOM 0 HG3 LYS A 46 11.821 -11.535 6.589 1.00 43.51 H new ATOM 0 HD2 LYS A 46 10.510 -10.822 9.250 1.00 20.31 H new ATOM 0 HD3 LYS A 46 12.152 -11.383 9.001 1.00 20.31 H new ATOM 0 HE2 LYS A 46 11.070 -8.775 7.833 1.00 62.10 H new ATOM 0 HE3 LYS A 46 11.926 -8.869 9.360 1.00 62.10 H new ATOM 0 HZ1 LYS A 46 13.424 -8.312 7.567 1.00 13.23 H new ATOM 0 HZ2 LYS A 46 13.825 -9.839 8.194 1.00 13.23 H new ATOM 0 HZ3 LYS A 46 12.996 -9.719 6.717 1.00 13.23 H new ATOM 685 N ALA A 47 6.546 -10.529 6.648 1.00 60.02 N ATOM 686 CA ALA A 47 5.290 -10.223 5.984 1.00 45.34 C ATOM 687 C ALA A 47 4.388 -9.443 6.942 1.00 23.24 C ATOM 688 O ALA A 47 3.606 -8.596 6.514 1.00 73.52 O ATOM 689 CB ALA A 47 4.641 -11.519 5.496 1.00 30.42 C ATOM 0 H ALA A 47 6.596 -11.463 7.056 1.00 60.02 H new ATOM 0 HA ALA A 47 5.461 -9.596 5.109 1.00 45.34 H new ATOM 0 HB1 ALA A 47 3.699 -11.289 4.998 1.00 30.42 H new ATOM 0 HB2 ALA A 47 5.309 -12.019 4.795 1.00 30.42 H new ATOM 0 HB3 ALA A 47 4.451 -12.174 6.347 1.00 30.42 H new ATOM 695 N PHE A 48 4.528 -9.757 8.222 1.00 14.10 N ATOM 696 CA PHE A 48 3.735 -9.096 9.245 1.00 31.51 C ATOM 697 C PHE A 48 4.034 -7.596 9.287 1.00 34.40 C ATOM 698 O PHE A 48 3.216 -6.810 9.762 1.00 33.01 O ATOM 699 CB PHE A 48 4.126 -9.720 10.586 1.00 24.02 C ATOM 700 CG PHE A 48 3.581 -8.970 11.804 1.00 65.43 C ATOM 701 CD1 PHE A 48 2.404 -9.352 12.366 1.00 33.53 C ATOM 702 CD2 PHE A 48 4.275 -7.922 12.323 1.00 32.12 C ATOM 703 CE1 PHE A 48 1.898 -8.657 13.496 1.00 11.22 C ATOM 704 CE2 PHE A 48 3.769 -7.226 13.453 1.00 20.40 C ATOM 705 CZ PHE A 48 2.591 -7.608 14.016 1.00 62.43 C ATOM 0 H PHE A 48 5.178 -10.460 8.574 1.00 14.10 H new ATOM 0 HA PHE A 48 2.673 -9.221 9.032 1.00 31.51 H new ATOM 0 HB2 PHE A 48 3.767 -10.749 10.615 1.00 24.02 H new ATOM 0 HB3 PHE A 48 5.213 -9.760 10.653 1.00 24.02 H new ATOM 0 HD1 PHE A 48 1.853 -10.184 11.953 1.00 33.53 H new ATOM 0 HD2 PHE A 48 5.210 -7.619 11.876 1.00 32.12 H new ATOM 0 HE1 PHE A 48 0.963 -8.961 13.943 1.00 11.22 H new ATOM 0 HE2 PHE A 48 4.320 -6.393 13.865 1.00 20.40 H new ATOM 0 HZ PHE A 48 2.206 -7.079 14.875 1.00 62.43 H new ATOM 715 N ALA A 49 5.208 -7.245 8.784 1.00 74.05 N ATOM 716 CA ALA A 49 5.624 -5.853 8.757 1.00 24.34 C ATOM 717 C ALA A 49 5.033 -5.171 7.522 1.00 32.32 C ATOM 718 O ALA A 49 5.067 -3.947 7.408 1.00 25.03 O ATOM 719 CB ALA A 49 7.152 -5.777 8.790 1.00 22.10 C ATOM 0 H ALA A 49 5.884 -7.900 8.392 1.00 74.05 H new ATOM 0 HA ALA A 49 5.251 -5.324 9.634 1.00 24.34 H new ATOM 0 HB1 ALA A 49 7.465 -4.733 8.770 1.00 22.10 H new ATOM 0 HB2 ALA A 49 7.520 -6.249 9.701 1.00 22.10 H new ATOM 0 HB3 ALA A 49 7.561 -6.295 7.923 1.00 22.10 H new ATOM 725 N ILE A 50 4.504 -5.993 6.628 1.00 34.52 N ATOM 726 CA ILE A 50 3.905 -5.485 5.406 1.00 43.04 C ATOM 727 C ILE A 50 2.567 -4.821 5.736 1.00 71.13 C ATOM 728 O ILE A 50 2.308 -3.695 5.315 1.00 3.51 O ATOM 729 CB ILE A 50 3.799 -6.596 4.359 1.00 42.33 C ATOM 730 CG1 ILE A 50 5.129 -7.338 4.210 1.00 11.11 C ATOM 731 CG2 ILE A 50 3.298 -6.044 3.023 1.00 43.35 C ATOM 732 CD1 ILE A 50 6.152 -6.485 3.457 1.00 54.02 C ATOM 0 H ILE A 50 4.478 -7.008 6.726 1.00 34.52 H new ATOM 0 HA ILE A 50 4.540 -4.719 4.961 1.00 43.04 H new ATOM 0 HB ILE A 50 3.063 -7.322 4.704 1.00 42.33 H new ATOM 0 HG12 ILE A 50 5.519 -7.594 5.195 1.00 11.11 H new ATOM 0 HG13 ILE A 50 4.969 -8.275 3.677 1.00 11.11 H new ATOM 0 HG21 ILE A 50 3.232 -6.854 2.297 1.00 43.35 H new ATOM 0 HG22 ILE A 50 2.313 -5.598 3.160 1.00 43.35 H new ATOM 0 HG23 ILE A 50 3.992 -5.286 2.659 1.00 43.35 H new ATOM 0 HD11 ILE A 50 7.088 -7.036 3.365 1.00 54.02 H new ATOM 0 HD12 ILE A 50 5.770 -6.251 2.463 1.00 54.02 H new ATOM 0 HD13 ILE A 50 6.328 -5.560 4.005 1.00 54.02 H new ATOM 744 N ILE A 51 1.751 -5.548 6.486 1.00 44.33 N ATOM 745 CA ILE A 51 0.446 -5.043 6.877 1.00 21.31 C ATOM 746 C ILE A 51 0.626 -3.806 7.760 1.00 72.44 C ATOM 747 O ILE A 51 0.221 -2.707 7.384 1.00 64.33 O ATOM 748 CB ILE A 51 -0.382 -6.151 7.532 1.00 41.13 C ATOM 749 CG1 ILE A 51 -0.256 -7.462 6.754 1.00 71.34 C ATOM 750 CG2 ILE A 51 -1.841 -5.720 7.697 1.00 43.02 C ATOM 751 CD1 ILE A 51 0.762 -8.395 7.412 1.00 4.01 C ATOM 0 H ILE A 51 1.969 -6.482 6.833 1.00 44.33 H new ATOM 0 HA ILE A 51 -0.120 -4.729 6.000 1.00 21.31 H new ATOM 0 HB ILE A 51 0.016 -6.330 8.531 1.00 41.13 H new ATOM 0 HG12 ILE A 51 -1.227 -7.954 6.705 1.00 71.34 H new ATOM 0 HG13 ILE A 51 0.047 -7.252 5.728 1.00 71.34 H new ATOM 0 HG21 ILE A 51 -2.408 -6.525 8.165 1.00 43.02 H new ATOM 0 HG22 ILE A 51 -1.889 -4.830 8.325 1.00 43.02 H new ATOM 0 HG23 ILE A 51 -2.267 -5.497 6.719 1.00 43.02 H new ATOM 0 HD11 ILE A 51 0.832 -9.319 6.839 1.00 4.01 H new ATOM 0 HD12 ILE A 51 1.737 -7.909 7.438 1.00 4.01 H new ATOM 0 HD13 ILE A 51 0.443 -8.622 8.429 1.00 4.01 H new ATOM 763 N ASP A 52 1.233 -4.027 8.916 1.00 33.34 N ATOM 764 CA ASP A 52 1.471 -2.944 9.855 1.00 32.34 C ATOM 765 C ASP A 52 1.898 -1.693 9.086 1.00 1.30 C ATOM 766 O ASP A 52 3.040 -1.594 8.639 1.00 11.03 O ATOM 767 CB ASP A 52 2.590 -3.301 10.836 1.00 73.52 C ATOM 768 CG ASP A 52 2.269 -4.453 11.791 1.00 63.01 C ATOM 769 OD1 ASP A 52 2.442 -4.336 13.013 1.00 12.23 O ATOM 770 OD2 ASP A 52 1.818 -5.521 11.225 1.00 24.12 O ATOM 0 H ASP A 52 1.567 -4.940 9.224 1.00 33.34 H new ATOM 0 HA ASP A 52 0.548 -2.769 10.409 1.00 32.34 H new ATOM 0 HB2 ASP A 52 3.483 -3.559 10.267 1.00 73.52 H new ATOM 0 HB3 ASP A 52 2.832 -2.417 11.426 1.00 73.52 H new ATOM 776 N GLN A 53 0.958 -0.768 8.955 1.00 64.00 N ATOM 777 CA GLN A 53 1.223 0.473 8.247 1.00 3.13 C ATOM 778 C GLN A 53 1.743 1.536 9.217 1.00 44.31 C ATOM 779 O GLN A 53 2.293 2.560 8.861 1.00 14.42 O ATOM 780 CB GLN A 53 -0.027 0.964 7.515 1.00 42.05 C ATOM 781 CG GLN A 53 -0.669 -0.166 6.708 1.00 61.42 C ATOM 782 CD GLN A 53 -1.655 0.387 5.677 1.00 42.10 C ATOM 783 OE1 GLN A 53 -1.333 0.587 4.517 1.00 32.21 O ATOM 784 NE2 GLN A 53 -2.870 0.623 6.163 1.00 72.10 N ATOM 0 H GLN A 53 0.012 -0.853 9.327 1.00 64.00 H new ATOM 0 HA GLN A 53 1.992 0.284 7.498 1.00 3.13 H new ATOM 0 HB2 GLN A 53 -0.745 1.354 8.236 1.00 42.05 H new ATOM 0 HB3 GLN A 53 0.236 1.787 6.850 1.00 42.05 H new ATOM 0 HG2 GLN A 53 0.106 -0.742 6.202 1.00 61.42 H new ATOM 0 HG3 GLN A 53 -1.187 -0.850 7.381 1.00 61.42 H new ATOM 0 HE21 GLN A 53 -3.072 0.433 7.144 1.00 72.10 H new ATOM 0 HE22 GLN A 53 -3.600 0.994 5.554 1.00 72.10 H new ATOM 793 N ASP A 54 1.557 1.269 10.480 1.00 55.31 N ATOM 794 CA ASP A 54 2.024 2.224 11.524 1.00 1.11 C ATOM 795 C ASP A 54 3.034 1.536 12.448 1.00 20.13 C ATOM 796 O ASP A 54 3.812 2.247 13.082 1.00 12.34 O ATOM 797 CB ASP A 54 0.764 2.611 12.299 1.00 0.20 C ATOM 798 CG ASP A 54 0.029 1.346 12.745 1.00 1.35 C ATOM 799 OD1 ASP A 54 -0.401 0.598 11.882 1.00 24.15 O ATOM 800 OD2 ASP A 54 -0.094 1.146 13.943 1.00 50.31 O ATOM 0 H ASP A 54 1.101 0.429 10.835 1.00 55.31 H new ATOM 0 HA ASP A 54 2.522 3.095 11.098 1.00 1.11 H new ATOM 0 HB2 ASP A 54 1.029 3.215 13.167 1.00 0.20 H new ATOM 0 HB3 ASP A 54 0.113 3.221 11.673 1.00 0.20 H new ATOM 805 N LYS A 55 3.005 0.213 12.512 1.00 23.10 N ATOM 806 CA LYS A 55 3.926 -0.515 13.368 1.00 21.34 C ATOM 807 C LYS A 55 3.521 -0.317 14.830 1.00 22.04 C ATOM 808 O LYS A 55 4.376 -0.265 15.713 1.00 31.55 O ATOM 809 CB LYS A 55 5.371 -0.109 13.070 1.00 53.12 C ATOM 810 CG LYS A 55 5.585 0.089 11.568 1.00 42.22 C ATOM 811 CD LYS A 55 5.059 -1.109 10.776 1.00 35.30 C ATOM 812 CE LYS A 55 5.777 -1.236 9.431 1.00 33.20 C ATOM 813 NZ LYS A 55 7.185 -1.643 9.632 1.00 24.01 N ATOM 0 H LYS A 55 2.358 -0.374 11.985 1.00 23.10 H new ATOM 0 HA LYS A 55 3.871 -1.584 13.163 1.00 21.34 H new ATOM 0 HB2 LYS A 55 5.610 0.813 13.600 1.00 53.12 H new ATOM 0 HB3 LYS A 55 6.052 -0.875 13.440 1.00 53.12 H new ATOM 0 HG2 LYS A 55 5.077 0.996 11.241 1.00 42.22 H new ATOM 0 HG3 LYS A 55 6.647 0.227 11.363 1.00 42.22 H new ATOM 0 HD2 LYS A 55 5.200 -2.022 11.355 1.00 35.30 H new ATOM 0 HD3 LYS A 55 3.987 -0.998 10.611 1.00 35.30 H new ATOM 0 HE2 LYS A 55 5.266 -1.969 8.807 1.00 33.20 H new ATOM 0 HE3 LYS A 55 5.739 -0.284 8.901 1.00 33.20 H new ATOM 0 HZ1 LYS A 55 7.533 -2.124 8.778 1.00 24.01 H new ATOM 0 HZ2 LYS A 55 7.767 -0.801 9.816 1.00 24.01 H new ATOM 0 HZ3 LYS A 55 7.247 -2.290 10.444 1.00 24.01 H new ATOM 826 N SER A 56 2.217 -0.211 15.041 1.00 64.31 N ATOM 827 CA SER A 56 1.689 -0.020 16.381 1.00 53.13 C ATOM 828 C SER A 56 2.241 -1.095 17.320 1.00 53.54 C ATOM 829 O SER A 56 2.302 -0.893 18.532 1.00 74.45 O ATOM 830 CB SER A 56 0.159 -0.051 16.379 1.00 61.51 C ATOM 831 OG SER A 56 -0.357 -0.845 15.313 1.00 12.45 O ATOM 0 H SER A 56 1.511 -0.254 14.306 1.00 64.31 H new ATOM 0 HA SER A 56 2.005 0.960 16.737 1.00 53.13 H new ATOM 0 HB2 SER A 56 -0.197 -0.446 17.331 1.00 61.51 H new ATOM 0 HB3 SER A 56 -0.224 0.966 16.292 1.00 61.51 H new ATOM 0 HG SER A 56 -0.728 -0.260 14.619 1.00 12.45 H new ATOM 837 N GLY A 57 2.629 -2.212 16.724 1.00 70.50 N ATOM 838 CA GLY A 57 3.174 -3.319 17.492 1.00 71.22 C ATOM 839 C GLY A 57 2.352 -4.592 17.279 1.00 54.22 C ATOM 840 O GLY A 57 2.852 -5.698 17.473 1.00 63.40 O ATOM 0 H GLY A 57 2.577 -2.375 15.718 1.00 70.50 H new ATOM 0 HA2 GLY A 57 4.208 -3.496 17.197 1.00 71.22 H new ATOM 0 HA3 GLY A 57 3.184 -3.061 18.551 1.00 71.22 H new ATOM 844 N PHE A 58 1.103 -4.392 16.882 1.00 23.02 N ATOM 845 CA PHE A 58 0.207 -5.510 16.641 1.00 52.23 C ATOM 846 C PHE A 58 -0.732 -5.216 15.469 1.00 33.20 C ATOM 847 O PHE A 58 -0.571 -4.213 14.776 1.00 63.24 O ATOM 848 CB PHE A 58 -0.625 -5.698 17.911 1.00 71.32 C ATOM 849 CG PHE A 58 0.209 -5.849 19.184 1.00 22.35 C ATOM 850 CD1 PHE A 58 1.193 -6.787 19.246 1.00 53.30 C ATOM 851 CD2 PHE A 58 -0.033 -5.046 20.255 1.00 23.20 C ATOM 852 CE1 PHE A 58 1.967 -6.927 20.428 1.00 51.20 C ATOM 853 CE2 PHE A 58 0.742 -5.186 21.437 1.00 34.41 C ATOM 854 CZ PHE A 58 1.725 -6.124 21.499 1.00 41.24 C ATOM 0 H PHE A 58 0.691 -3.473 16.721 1.00 23.02 H new ATOM 0 HA PHE A 58 0.783 -6.403 16.396 1.00 52.23 H new ATOM 0 HB2 PHE A 58 -1.293 -4.844 18.025 1.00 71.32 H new ATOM 0 HB3 PHE A 58 -1.254 -6.581 17.794 1.00 71.32 H new ATOM 0 HD1 PHE A 58 1.385 -7.425 18.396 1.00 53.30 H new ATOM 0 HD2 PHE A 58 -0.814 -4.302 20.207 1.00 23.20 H new ATOM 0 HE1 PHE A 58 2.748 -7.671 20.477 1.00 51.20 H new ATOM 0 HE2 PHE A 58 0.551 -4.547 22.287 1.00 34.41 H new ATOM 0 HZ PHE A 58 2.313 -6.231 22.398 1.00 41.24 H new ATOM 864 N ILE A 59 -1.693 -6.110 15.284 1.00 11.52 N ATOM 865 CA ILE A 59 -2.658 -5.959 14.208 1.00 12.14 C ATOM 866 C ILE A 59 -4.072 -5.960 14.793 1.00 1.14 C ATOM 867 O ILE A 59 -4.784 -6.959 14.705 1.00 64.15 O ATOM 868 CB ILE A 59 -2.436 -7.027 13.136 1.00 42.14 C ATOM 869 CG1 ILE A 59 -1.215 -6.694 12.276 1.00 61.35 C ATOM 870 CG2 ILE A 59 -3.696 -7.226 12.290 1.00 5.43 C ATOM 871 CD1 ILE A 59 -0.763 -7.914 11.469 1.00 13.25 C ATOM 0 H ILE A 59 -1.824 -6.941 15.861 1.00 11.52 H new ATOM 0 HA ILE A 59 -2.521 -5.002 13.705 1.00 12.14 H new ATOM 0 HB ILE A 59 -2.231 -7.974 13.635 1.00 42.14 H new ATOM 0 HG12 ILE A 59 -1.455 -5.874 11.599 1.00 61.35 H new ATOM 0 HG13 ILE A 59 -0.399 -6.352 12.913 1.00 61.35 H new ATOM 0 HG21 ILE A 59 -3.511 -7.991 11.536 1.00 5.43 H new ATOM 0 HG22 ILE A 59 -4.519 -7.541 12.932 1.00 5.43 H new ATOM 0 HG23 ILE A 59 -3.957 -6.288 11.800 1.00 5.43 H new ATOM 0 HD11 ILE A 59 0.106 -7.650 10.867 1.00 13.25 H new ATOM 0 HD12 ILE A 59 -0.500 -8.724 12.150 1.00 13.25 H new ATOM 0 HD13 ILE A 59 -1.573 -8.238 10.815 1.00 13.25 H new ATOM 883 N GLU A 60 -4.436 -4.829 15.379 1.00 54.43 N ATOM 884 CA GLU A 60 -5.752 -4.686 15.978 1.00 34.32 C ATOM 885 C GLU A 60 -6.836 -5.113 14.987 1.00 74.15 C ATOM 886 O GLU A 60 -6.567 -5.269 13.797 1.00 73.45 O ATOM 887 CB GLU A 60 -5.983 -3.253 16.460 1.00 54.43 C ATOM 888 CG GLU A 60 -5.193 -2.969 17.738 1.00 25.45 C ATOM 889 CD GLU A 60 -3.755 -2.558 17.414 1.00 10.32 C ATOM 890 OE1 GLU A 60 -2.811 -3.054 18.046 1.00 4.34 O ATOM 891 OE2 GLU A 60 -3.637 -1.690 16.467 1.00 62.44 O ATOM 0 H GLU A 60 -3.842 -4.003 15.452 1.00 54.43 H new ATOM 0 HA GLU A 60 -5.806 -5.340 16.849 1.00 34.32 H new ATOM 0 HB2 GLU A 60 -5.685 -2.551 15.681 1.00 54.43 H new ATOM 0 HB3 GLU A 60 -7.046 -3.094 16.643 1.00 54.43 H new ATOM 0 HG2 GLU A 60 -5.683 -2.177 18.304 1.00 25.45 H new ATOM 0 HG3 GLU A 60 -5.188 -3.856 18.371 1.00 25.45 H new ATOM 899 N GLU A 61 -8.039 -5.290 15.513 1.00 12.54 N ATOM 900 CA GLU A 61 -9.165 -5.695 14.689 1.00 31.22 C ATOM 901 C GLU A 61 -9.384 -4.689 13.558 1.00 54.03 C ATOM 902 O GLU A 61 -9.819 -5.060 12.468 1.00 2.42 O ATOM 903 CB GLU A 61 -10.432 -5.857 15.532 1.00 4.22 C ATOM 904 CG GLU A 61 -11.632 -6.217 14.655 1.00 51.13 C ATOM 905 CD GLU A 61 -12.802 -6.717 15.505 1.00 52.44 C ATOM 906 OE1 GLU A 61 -13.743 -7.322 14.970 1.00 41.23 O ATOM 907 OE2 GLU A 61 -12.710 -6.457 16.765 1.00 75.01 O ATOM 0 H GLU A 61 -8.259 -5.160 16.501 1.00 12.54 H new ATOM 0 HA GLU A 61 -8.936 -6.665 14.247 1.00 31.22 H new ATOM 0 HB2 GLU A 61 -10.278 -6.634 16.281 1.00 4.22 H new ATOM 0 HB3 GLU A 61 -10.635 -4.931 16.071 1.00 4.22 H new ATOM 0 HG2 GLU A 61 -11.942 -5.344 14.081 1.00 51.13 H new ATOM 0 HG3 GLU A 61 -11.345 -6.985 13.937 1.00 51.13 H new ATOM 915 N GLU A 62 -9.074 -3.436 13.855 1.00 42.33 N ATOM 916 CA GLU A 62 -9.232 -2.373 12.876 1.00 65.41 C ATOM 917 C GLU A 62 -8.164 -2.493 11.786 1.00 33.11 C ATOM 918 O GLU A 62 -8.298 -1.904 10.714 1.00 22.44 O ATOM 919 CB GLU A 62 -9.180 -0.999 13.546 1.00 43.25 C ATOM 920 CG GLU A 62 -10.195 -0.906 14.686 1.00 55.41 C ATOM 921 CD GLU A 62 -10.671 0.536 14.880 1.00 74.52 C ATOM 922 OE1 GLU A 62 -10.152 1.453 14.227 1.00 11.01 O ATOM 923 OE2 GLU A 62 -11.617 0.686 15.744 1.00 30.33 O ATOM 0 H GLU A 62 -8.714 -3.132 14.760 1.00 42.33 H new ATOM 0 HA GLU A 62 -10.212 -2.476 12.410 1.00 65.41 H new ATOM 0 HB2 GLU A 62 -8.177 -0.816 13.932 1.00 43.25 H new ATOM 0 HB3 GLU A 62 -9.384 -0.223 12.808 1.00 43.25 H new ATOM 0 HG2 GLU A 62 -11.049 -1.549 14.471 1.00 55.41 H new ATOM 0 HG3 GLU A 62 -9.745 -1.272 15.609 1.00 55.41 H new ATOM 931 N GLU A 63 -7.129 -3.259 12.098 1.00 71.02 N ATOM 932 CA GLU A 63 -6.040 -3.463 11.158 1.00 24.43 C ATOM 933 C GLU A 63 -6.270 -4.740 10.348 1.00 72.34 C ATOM 934 O GLU A 63 -5.715 -4.899 9.261 1.00 14.23 O ATOM 935 CB GLU A 63 -4.693 -3.509 11.882 1.00 23.44 C ATOM 936 CG GLU A 63 -4.140 -2.100 12.103 1.00 12.20 C ATOM 937 CD GLU A 63 -2.638 -2.139 12.392 1.00 13.42 C ATOM 938 OE1 GLU A 63 -1.870 -2.126 11.406 1.00 31.21 O ATOM 939 OE2 GLU A 63 -2.292 -2.180 13.593 1.00 53.43 O ATOM 0 H GLU A 63 -7.022 -3.746 12.988 1.00 71.02 H new ATOM 0 HA GLU A 63 -6.017 -2.618 10.469 1.00 24.43 H new ATOM 0 HB2 GLU A 63 -4.809 -4.012 12.842 1.00 23.44 H new ATOM 0 HB3 GLU A 63 -3.983 -4.095 11.299 1.00 23.44 H new ATOM 0 HG2 GLU A 63 -4.328 -1.489 11.220 1.00 12.20 H new ATOM 0 HG3 GLU A 63 -4.662 -1.627 12.935 1.00 12.20 H new ATOM 946 N LEU A 64 -7.090 -5.618 10.907 1.00 62.31 N ATOM 947 CA LEU A 64 -7.401 -6.876 10.249 1.00 25.34 C ATOM 948 C LEU A 64 -8.037 -6.591 8.887 1.00 24.44 C ATOM 949 O LEU A 64 -7.493 -6.974 7.852 1.00 10.33 O ATOM 950 CB LEU A 64 -8.261 -7.757 11.158 1.00 63.33 C ATOM 951 CG LEU A 64 -7.501 -8.672 12.120 1.00 5.03 C ATOM 952 CD1 LEU A 64 -8.468 -9.472 12.995 1.00 25.10 C ATOM 953 CD2 LEU A 64 -6.529 -9.579 11.363 1.00 43.24 C ATOM 0 H LEU A 64 -7.549 -5.483 11.808 1.00 62.31 H new ATOM 0 HA LEU A 64 -6.490 -7.444 10.062 1.00 25.34 H new ATOM 0 HB2 LEU A 64 -8.915 -7.111 11.743 1.00 63.33 H new ATOM 0 HB3 LEU A 64 -8.902 -8.376 10.530 1.00 63.33 H new ATOM 0 HG LEU A 64 -6.905 -8.047 12.786 1.00 5.03 H new ATOM 0 HD11 LEU A 64 -7.902 -10.114 13.670 1.00 25.10 H new ATOM 0 HD12 LEU A 64 -9.083 -8.787 13.578 1.00 25.10 H new ATOM 0 HD13 LEU A 64 -9.109 -10.086 12.362 1.00 25.10 H new ATOM 0 HD21 LEU A 64 -6.002 -10.219 12.071 1.00 43.24 H new ATOM 0 HD22 LEU A 64 -7.083 -10.198 10.657 1.00 43.24 H new ATOM 0 HD23 LEU A 64 -5.808 -8.967 10.821 1.00 43.24 H new ATOM 965 N LYS A 65 -9.179 -5.922 8.932 1.00 73.40 N ATOM 966 CA LYS A 65 -9.895 -5.582 7.714 1.00 11.22 C ATOM 967 C LYS A 65 -8.968 -4.796 6.785 1.00 25.13 C ATOM 968 O LYS A 65 -9.218 -4.704 5.584 1.00 20.45 O ATOM 969 CB LYS A 65 -11.198 -4.850 8.045 1.00 23.51 C ATOM 970 CG LYS A 65 -10.980 -3.337 8.092 1.00 2.32 C ATOM 971 CD LYS A 65 -12.302 -2.599 8.312 1.00 71.02 C ATOM 972 CE LYS A 65 -13.106 -3.241 9.444 1.00 13.32 C ATOM 973 NZ LYS A 65 -13.766 -4.479 8.974 1.00 73.11 N ATOM 0 H LYS A 65 -9.627 -5.606 9.792 1.00 73.40 H new ATOM 0 HA LYS A 65 -10.190 -6.486 7.181 1.00 11.22 H new ATOM 0 HB2 LYS A 65 -11.954 -5.089 7.297 1.00 23.51 H new ATOM 0 HB3 LYS A 65 -11.580 -5.196 9.006 1.00 23.51 H new ATOM 0 HG2 LYS A 65 -10.284 -3.091 8.894 1.00 2.32 H new ATOM 0 HG3 LYS A 65 -10.523 -3.003 7.160 1.00 2.32 H new ATOM 0 HD2 LYS A 65 -12.104 -1.554 8.549 1.00 71.02 H new ATOM 0 HD3 LYS A 65 -12.887 -2.612 7.393 1.00 71.02 H new ATOM 0 HE2 LYS A 65 -12.447 -3.469 10.282 1.00 13.32 H new ATOM 0 HE3 LYS A 65 -13.855 -2.539 9.809 1.00 13.32 H new ATOM 0 HZ1 LYS A 65 -14.776 -4.448 9.219 1.00 73.11 H new ATOM 0 HZ2 LYS A 65 -13.662 -4.557 7.942 1.00 73.11 H new ATOM 0 HZ3 LYS A 65 -13.324 -5.303 9.430 1.00 73.11 H new ATOM 986 N LEU A 66 -7.915 -4.249 7.376 1.00 34.13 N ATOM 987 CA LEU A 66 -6.949 -3.474 6.617 1.00 71.13 C ATOM 988 C LEU A 66 -5.812 -4.391 6.161 1.00 1.40 C ATOM 989 O LEU A 66 -4.685 -3.938 5.967 1.00 41.23 O ATOM 990 CB LEU A 66 -6.477 -2.264 7.426 1.00 34.51 C ATOM 991 CG LEU A 66 -7.569 -1.293 7.879 1.00 75.21 C ATOM 992 CD1 LEU A 66 -6.980 -0.160 8.720 1.00 13.55 C ATOM 993 CD2 LEU A 66 -8.365 -0.766 6.683 1.00 45.21 C ATOM 0 H LEU A 66 -7.710 -4.328 8.372 1.00 34.13 H new ATOM 0 HA LEU A 66 -7.410 -3.066 5.718 1.00 71.13 H new ATOM 0 HB2 LEU A 66 -5.951 -2.625 8.309 1.00 34.51 H new ATOM 0 HB3 LEU A 66 -5.753 -1.712 6.827 1.00 34.51 H new ATOM 0 HG LEU A 66 -8.267 -1.837 8.515 1.00 75.21 H new ATOM 0 HD11 LEU A 66 -7.777 0.516 9.029 1.00 13.55 H new ATOM 0 HD12 LEU A 66 -6.495 -0.576 9.603 1.00 13.55 H new ATOM 0 HD13 LEU A 66 -6.248 0.389 8.128 1.00 13.55 H new ATOM 0 HD21 LEU A 66 -9.135 -0.078 7.033 1.00 45.21 H new ATOM 0 HD22 LEU A 66 -7.694 -0.244 6.001 1.00 45.21 H new ATOM 0 HD23 LEU A 66 -8.834 -1.601 6.162 1.00 45.21 H new ATOM 1005 N PHE A 67 -6.147 -5.663 6.004 1.00 41.22 N ATOM 1006 CA PHE A 67 -5.168 -6.647 5.575 1.00 42.04 C ATOM 1007 C PHE A 67 -4.941 -6.572 4.063 1.00 34.32 C ATOM 1008 O PHE A 67 -4.215 -7.389 3.500 1.00 62.33 O ATOM 1009 CB PHE A 67 -5.734 -8.024 5.926 1.00 32.01 C ATOM 1010 CG PHE A 67 -5.029 -9.185 5.222 1.00 72.12 C ATOM 1011 CD1 PHE A 67 -3.839 -9.644 5.693 1.00 44.13 C ATOM 1012 CD2 PHE A 67 -5.593 -9.758 4.125 1.00 70.21 C ATOM 1013 CE1 PHE A 67 -3.184 -10.721 5.039 1.00 33.40 C ATOM 1014 CE2 PHE A 67 -4.939 -10.836 3.471 1.00 3.32 C ATOM 1015 CZ PHE A 67 -3.748 -11.295 3.942 1.00 11.51 C ATOM 0 H PHE A 67 -7.083 -6.035 6.166 1.00 41.22 H new ATOM 0 HA PHE A 67 -4.214 -6.462 6.068 1.00 42.04 H new ATOM 0 HB2 PHE A 67 -5.664 -8.170 7.004 1.00 32.01 H new ATOM 0 HB3 PHE A 67 -6.793 -8.046 5.669 1.00 32.01 H new ATOM 0 HD1 PHE A 67 -3.392 -9.189 6.565 1.00 44.13 H new ATOM 0 HD2 PHE A 67 -6.538 -9.393 3.751 1.00 70.21 H new ATOM 0 HE1 PHE A 67 -2.238 -11.084 5.412 1.00 33.40 H new ATOM 0 HE2 PHE A 67 -5.387 -11.291 2.600 1.00 3.32 H new ATOM 0 HZ PHE A 67 -3.250 -12.115 3.445 1.00 11.51 H new ATOM 1025 N LEU A 68 -5.577 -5.585 3.450 1.00 52.20 N ATOM 1026 CA LEU A 68 -5.454 -5.393 2.015 1.00 53.21 C ATOM 1027 C LEU A 68 -4.568 -4.176 1.742 1.00 50.04 C ATOM 1028 O LEU A 68 -4.109 -3.978 0.618 1.00 52.43 O ATOM 1029 CB LEU A 68 -6.837 -5.305 1.366 1.00 40.22 C ATOM 1030 CG LEU A 68 -7.583 -6.629 1.195 1.00 34.52 C ATOM 1031 CD1 LEU A 68 -8.797 -6.461 0.279 1.00 63.04 C ATOM 1032 CD2 LEU A 68 -6.642 -7.730 0.703 1.00 65.10 C ATOM 0 H LEU A 68 -6.179 -4.910 3.921 1.00 52.20 H new ATOM 0 HA LEU A 68 -4.966 -6.253 1.556 1.00 53.21 H new ATOM 0 HB2 LEU A 68 -7.456 -4.637 1.965 1.00 40.22 H new ATOM 0 HB3 LEU A 68 -6.727 -4.843 0.385 1.00 40.22 H new ATOM 0 HG LEU A 68 -7.957 -6.938 2.171 1.00 34.52 H new ATOM 0 HD11 LEU A 68 -9.309 -7.417 0.175 1.00 63.04 H new ATOM 0 HD12 LEU A 68 -9.480 -5.729 0.710 1.00 63.04 H new ATOM 0 HD13 LEU A 68 -8.468 -6.117 -0.701 1.00 63.04 H new ATOM 0 HD21 LEU A 68 -7.198 -8.660 0.590 1.00 65.10 H new ATOM 0 HD22 LEU A 68 -6.217 -7.442 -0.259 1.00 65.10 H new ATOM 0 HD23 LEU A 68 -5.839 -7.873 1.426 1.00 65.10 H new ATOM 1044 N GLN A 69 -4.354 -3.393 2.789 1.00 43.14 N ATOM 1045 CA GLN A 69 -3.531 -2.201 2.676 1.00 44.24 C ATOM 1046 C GLN A 69 -2.051 -2.563 2.816 1.00 45.44 C ATOM 1047 O GLN A 69 -1.188 -1.686 2.786 1.00 71.05 O ATOM 1048 CB GLN A 69 -3.939 -1.152 3.712 1.00 71.11 C ATOM 1049 CG GLN A 69 -5.282 -0.516 3.348 1.00 34.24 C ATOM 1050 CD GLN A 69 -5.883 0.220 4.548 1.00 71.32 C ATOM 1051 OE1 GLN A 69 -5.298 0.302 5.615 1.00 21.43 O ATOM 1052 NE2 GLN A 69 -7.081 0.749 4.314 1.00 64.14 N ATOM 0 H GLN A 69 -4.736 -3.561 3.720 1.00 43.14 H new ATOM 0 HA GLN A 69 -3.688 -1.768 1.688 1.00 44.24 H new ATOM 0 HB2 GLN A 69 -4.007 -1.615 4.696 1.00 71.11 H new ATOM 0 HB3 GLN A 69 -3.172 -0.380 3.775 1.00 71.11 H new ATOM 0 HG2 GLN A 69 -5.146 0.180 2.520 1.00 34.24 H new ATOM 0 HG3 GLN A 69 -5.973 -1.287 3.006 1.00 34.24 H new ATOM 0 HE21 GLN A 69 -7.515 0.643 3.397 1.00 64.14 H new ATOM 0 HE22 GLN A 69 -7.566 1.260 5.052 1.00 64.14 H new ATOM 1061 N ASN A 70 -1.802 -3.855 2.966 1.00 62.23 N ATOM 1062 CA ASN A 70 -0.441 -4.344 3.110 1.00 1.45 C ATOM 1063 C ASN A 70 0.215 -4.430 1.731 1.00 73.32 C ATOM 1064 O ASN A 70 1.323 -3.935 1.534 1.00 1.31 O ATOM 1065 CB ASN A 70 -0.421 -5.741 3.732 1.00 23.32 C ATOM 1066 CG ASN A 70 -1.643 -5.962 4.626 1.00 42.31 C ATOM 1067 OD1 ASN A 70 -2.189 -5.042 5.213 1.00 24.12 O ATOM 1068 ND2 ASN A 70 -2.040 -7.229 4.696 1.00 53.11 N ATOM 0 H ASN A 70 -2.520 -4.579 2.991 1.00 62.23 H new ATOM 0 HA ASN A 70 0.098 -3.653 3.758 1.00 1.45 H new ATOM 0 HB2 ASN A 70 -0.402 -6.493 2.944 1.00 23.32 H new ATOM 0 HB3 ASN A 70 0.490 -5.869 4.317 1.00 23.32 H new ATOM 0 HD21 ASN A 70 -2.847 -7.480 5.267 1.00 53.11 H new ATOM 0 HD22 ASN A 70 -1.537 -7.950 4.179 1.00 53.11 H new ATOM 1075 N PHE A 71 -0.498 -5.064 0.811 1.00 52.40 N ATOM 1076 CA PHE A 71 0.001 -5.222 -0.545 1.00 15.43 C ATOM 1077 C PHE A 71 -0.358 -4.009 -1.406 1.00 2.44 C ATOM 1078 O PHE A 71 -0.295 -4.073 -2.632 1.00 64.13 O ATOM 1079 CB PHE A 71 -0.676 -6.464 -1.128 1.00 42.20 C ATOM 1080 CG PHE A 71 -0.479 -7.730 -0.292 1.00 63.10 C ATOM 1081 CD1 PHE A 71 0.516 -8.603 -0.605 1.00 22.25 C ATOM 1082 CD2 PHE A 71 -1.298 -7.983 0.763 1.00 13.54 C ATOM 1083 CE1 PHE A 71 0.699 -9.778 0.171 1.00 20.42 C ATOM 1084 CE2 PHE A 71 -1.116 -9.158 1.539 1.00 5.22 C ATOM 1085 CZ PHE A 71 -0.121 -10.031 1.227 1.00 44.13 C ATOM 0 H PHE A 71 -1.417 -5.474 0.978 1.00 52.40 H new ATOM 0 HA PHE A 71 1.087 -5.317 -0.533 1.00 15.43 H new ATOM 0 HB2 PHE A 71 -1.744 -6.270 -1.228 1.00 42.20 H new ATOM 0 HB3 PHE A 71 -0.288 -6.639 -2.131 1.00 42.20 H new ATOM 0 HD1 PHE A 71 1.167 -8.403 -1.443 1.00 22.25 H new ATOM 0 HD2 PHE A 71 -2.088 -7.290 1.011 1.00 13.54 H new ATOM 0 HE1 PHE A 71 1.489 -10.471 -0.077 1.00 20.42 H new ATOM 0 HE2 PHE A 71 -1.767 -9.358 2.377 1.00 5.22 H new ATOM 0 HZ PHE A 71 0.018 -10.925 1.817 1.00 44.13 H new ATOM 1095 N LYS A 72 -0.726 -2.931 -0.729 1.00 13.12 N ATOM 1096 CA LYS A 72 -1.095 -1.705 -1.416 1.00 62.05 C ATOM 1097 C LYS A 72 -1.420 -0.624 -0.384 1.00 32.13 C ATOM 1098 O LYS A 72 -1.992 -0.915 0.666 1.00 65.41 O ATOM 1099 CB LYS A 72 -2.228 -1.968 -2.410 1.00 15.13 C ATOM 1100 CG LYS A 72 -2.089 -1.080 -3.648 1.00 72.32 C ATOM 1101 CD LYS A 72 -3.008 -1.560 -4.773 1.00 74.51 C ATOM 1102 CE LYS A 72 -3.424 -0.397 -5.676 1.00 30.22 C ATOM 1103 NZ LYS A 72 -2.231 0.295 -6.212 1.00 64.41 N ATOM 0 H LYS A 72 -0.776 -2.881 0.289 1.00 13.12 H new ATOM 0 HA LYS A 72 -0.260 -1.336 -2.011 1.00 62.05 H new ATOM 0 HB2 LYS A 72 -2.219 -3.017 -2.707 1.00 15.13 H new ATOM 0 HB3 LYS A 72 -3.188 -1.781 -1.930 1.00 15.13 H new ATOM 0 HG2 LYS A 72 -2.332 -0.049 -3.390 1.00 72.32 H new ATOM 0 HG3 LYS A 72 -1.054 -1.087 -3.991 1.00 72.32 H new ATOM 0 HD2 LYS A 72 -2.498 -2.320 -5.365 1.00 74.51 H new ATOM 0 HD3 LYS A 72 -3.895 -2.030 -4.347 1.00 74.51 H new ATOM 0 HE2 LYS A 72 -4.036 -0.768 -6.498 1.00 30.22 H new ATOM 0 HE3 LYS A 72 -4.038 0.307 -5.113 1.00 30.22 H new ATOM 0 HZ1 LYS A 72 -2.518 0.943 -6.973 1.00 64.41 H new ATOM 0 HZ2 LYS A 72 -1.773 0.836 -5.451 1.00 64.41 H new ATOM 0 HZ3 LYS A 72 -1.563 -0.407 -6.589 1.00 64.41 H new ATOM 1116 N ALA A 73 -1.043 0.601 -0.718 1.00 5.14 N ATOM 1117 CA ALA A 73 -1.287 1.727 0.168 1.00 51.02 C ATOM 1118 C ALA A 73 -2.576 2.433 -0.256 1.00 55.13 C ATOM 1119 O ALA A 73 -2.728 3.635 -0.046 1.00 11.52 O ATOM 1120 CB ALA A 73 -0.077 2.663 0.150 1.00 21.10 C ATOM 0 H ALA A 73 -0.570 0.839 -1.590 1.00 5.14 H new ATOM 0 HA ALA A 73 -1.420 1.386 1.195 1.00 51.02 H new ATOM 0 HB1 ALA A 73 -0.260 3.507 0.815 1.00 21.10 H new ATOM 0 HB2 ALA A 73 0.807 2.121 0.487 1.00 21.10 H new ATOM 0 HB3 ALA A 73 0.086 3.028 -0.864 1.00 21.10 H new ATOM 1126 N GLY A 74 -3.473 1.656 -0.846 1.00 64.31 N ATOM 1127 CA GLY A 74 -4.744 2.191 -1.302 1.00 11.53 C ATOM 1128 C GLY A 74 -5.723 1.066 -1.643 1.00 21.04 C ATOM 1129 O GLY A 74 -6.570 1.220 -2.521 1.00 14.34 O ATOM 0 H GLY A 74 -3.344 0.659 -1.019 1.00 64.31 H new ATOM 0 HA2 GLY A 74 -5.172 2.829 -0.529 1.00 11.53 H new ATOM 0 HA3 GLY A 74 -4.585 2.818 -2.180 1.00 11.53 H new ATOM 1133 N ALA A 75 -5.573 -0.041 -0.930 1.00 73.12 N ATOM 1134 CA ALA A 75 -6.433 -1.192 -1.146 1.00 75.03 C ATOM 1135 C ALA A 75 -7.701 -1.042 -0.302 1.00 43.12 C ATOM 1136 O ALA A 75 -7.703 -0.326 0.698 1.00 32.43 O ATOM 1137 CB ALA A 75 -5.664 -2.473 -0.820 1.00 22.34 C ATOM 0 H ALA A 75 -4.869 -0.165 -0.202 1.00 73.12 H new ATOM 0 HA ALA A 75 -6.738 -1.252 -2.191 1.00 75.03 H new ATOM 0 HB1 ALA A 75 -6.310 -3.336 -0.982 1.00 22.34 H new ATOM 0 HB2 ALA A 75 -4.790 -2.547 -1.467 1.00 22.34 H new ATOM 0 HB3 ALA A 75 -5.344 -2.450 0.222 1.00 22.34 H new ATOM 1143 N ARG A 76 -8.747 -1.728 -0.737 1.00 34.24 N ATOM 1144 CA ARG A 76 -10.018 -1.680 -0.033 1.00 71.14 C ATOM 1145 C ARG A 76 -9.904 -2.389 1.318 1.00 71.03 C ATOM 1146 O ARG A 76 -8.877 -2.995 1.620 1.00 13.11 O ATOM 1147 CB ARG A 76 -11.128 -2.339 -0.855 1.00 43.13 C ATOM 1148 CG ARG A 76 -10.971 -3.861 -0.868 1.00 3.12 C ATOM 1149 CD ARG A 76 -11.820 -4.509 0.228 1.00 50.33 C ATOM 1150 NE ARG A 76 -12.130 -5.910 -0.134 1.00 42.22 N ATOM 1151 CZ ARG A 76 -13.176 -6.605 0.359 1.00 34.34 C ATOM 1152 NH1 ARG A 76 -13.358 -7.852 -0.033 1.00 74.42 N ATOM 1153 NH2 ARG A 76 -14.024 -6.034 1.241 1.00 21.14 N ATOM 0 H ARG A 76 -8.741 -2.320 -1.568 1.00 34.24 H new ATOM 0 HA ARG A 76 -10.271 -0.631 0.124 1.00 71.14 H new ATOM 0 HB2 ARG A 76 -12.100 -2.074 -0.439 1.00 43.13 H new ATOM 0 HB3 ARG A 76 -11.104 -1.959 -1.876 1.00 43.13 H new ATOM 0 HG2 ARG A 76 -11.267 -4.252 -1.841 1.00 3.12 H new ATOM 0 HG3 ARG A 76 -9.923 -4.123 -0.724 1.00 3.12 H new ATOM 0 HD2 ARG A 76 -11.286 -4.480 1.178 1.00 50.33 H new ATOM 0 HD3 ARG A 76 -12.744 -3.947 0.364 1.00 50.33 H new ATOM 0 HE ARG A 76 -11.514 -6.380 -0.798 1.00 42.22 H new ATOM 0 HH11 ARG A 76 -12.713 -8.277 -0.699 1.00 74.42 H new ATOM 0 HH12 ARG A 76 -14.144 -8.391 0.330 1.00 74.42 H new ATOM 0 HH21 ARG A 76 -13.876 -5.070 1.540 1.00 21.14 H new ATOM 0 HH22 ARG A 76 -14.812 -6.567 1.609 1.00 21.14 H new ATOM 1166 N ALA A 77 -10.973 -2.290 2.094 1.00 11.31 N ATOM 1167 CA ALA A 77 -11.006 -2.914 3.406 1.00 40.11 C ATOM 1168 C ALA A 77 -12.053 -4.030 3.409 1.00 44.13 C ATOM 1169 O ALA A 77 -13.086 -3.918 2.751 1.00 33.05 O ATOM 1170 CB ALA A 77 -11.284 -1.851 4.470 1.00 13.24 C ATOM 0 H ALA A 77 -11.823 -1.787 1.839 1.00 11.31 H new ATOM 0 HA ALA A 77 -10.042 -3.366 3.641 1.00 40.11 H new ATOM 0 HB1 ALA A 77 -11.309 -2.319 5.454 1.00 13.24 H new ATOM 0 HB2 ALA A 77 -10.497 -1.098 4.446 1.00 13.24 H new ATOM 0 HB3 ALA A 77 -12.245 -1.378 4.269 1.00 13.24 H new ATOM 1176 N LEU A 78 -11.748 -5.081 4.156 1.00 53.12 N ATOM 1177 CA LEU A 78 -12.650 -6.216 4.253 1.00 61.31 C ATOM 1178 C LEU A 78 -13.956 -5.770 4.914 1.00 64.11 C ATOM 1179 O LEU A 78 -14.075 -4.626 5.350 1.00 34.32 O ATOM 1180 CB LEU A 78 -11.966 -7.384 4.968 1.00 53.43 C ATOM 1181 CG LEU A 78 -10.797 -8.033 4.225 1.00 70.03 C ATOM 1182 CD1 LEU A 78 -11.148 -8.275 2.755 1.00 21.34 C ATOM 1183 CD2 LEU A 78 -9.520 -7.204 4.380 1.00 55.00 C ATOM 0 H LEU A 78 -10.889 -5.170 4.699 1.00 53.12 H new ATOM 0 HA LEU A 78 -12.906 -6.585 3.260 1.00 61.31 H new ATOM 0 HB2 LEU A 78 -11.606 -7.032 5.934 1.00 53.43 H new ATOM 0 HB3 LEU A 78 -12.715 -8.151 5.167 1.00 53.43 H new ATOM 0 HG LEU A 78 -10.605 -9.007 4.675 1.00 70.03 H new ATOM 0 HD11 LEU A 78 -10.300 -8.737 2.250 1.00 21.34 H new ATOM 0 HD12 LEU A 78 -12.012 -8.936 2.691 1.00 21.34 H new ATOM 0 HD13 LEU A 78 -11.382 -7.324 2.276 1.00 21.34 H new ATOM 0 HD21 LEU A 78 -8.705 -7.688 3.842 1.00 55.00 H new ATOM 0 HD22 LEU A 78 -9.682 -6.206 3.972 1.00 55.00 H new ATOM 0 HD23 LEU A 78 -9.262 -7.127 5.436 1.00 55.00 H new ATOM 1195 N SER A 79 -14.901 -6.696 4.967 1.00 74.40 N ATOM 1196 CA SER A 79 -16.194 -6.413 5.567 1.00 2.14 C ATOM 1197 C SER A 79 -16.146 -6.697 7.070 1.00 75.30 C ATOM 1198 O SER A 79 -15.079 -6.960 7.622 1.00 13.45 O ATOM 1199 CB SER A 79 -17.301 -7.236 4.906 1.00 61.11 C ATOM 1200 OG SER A 79 -18.591 -6.896 5.407 1.00 22.22 O ATOM 0 H SER A 79 -14.798 -7.644 4.604 1.00 74.40 H new ATOM 0 HA SER A 79 -16.421 -5.359 5.410 1.00 2.14 H new ATOM 0 HB2 SER A 79 -17.277 -7.076 3.828 1.00 61.11 H new ATOM 0 HB3 SER A 79 -17.114 -8.297 5.075 1.00 61.11 H new ATOM 0 HG SER A 79 -19.270 -7.442 4.959 1.00 22.22 H new ATOM 1206 N ASP A 80 -17.317 -6.636 7.689 1.00 45.25 N ATOM 1207 CA ASP A 80 -17.422 -6.883 9.116 1.00 31.54 C ATOM 1208 C ASP A 80 -17.331 -8.388 9.377 1.00 62.43 C ATOM 1209 O ASP A 80 -16.802 -8.814 10.402 1.00 5.44 O ATOM 1210 CB ASP A 80 -18.763 -6.390 9.663 1.00 1.44 C ATOM 1211 CG ASP A 80 -19.975 -6.700 8.782 1.00 5.21 C ATOM 1212 OD1 ASP A 80 -19.949 -7.634 7.967 1.00 11.02 O ATOM 1213 OD2 ASP A 80 -20.991 -5.925 8.960 1.00 65.00 O ATOM 0 H ASP A 80 -18.200 -6.419 7.227 1.00 45.25 H new ATOM 0 HA ASP A 80 -16.611 -6.348 9.611 1.00 31.54 H new ATOM 0 HB2 ASP A 80 -18.923 -6.835 10.645 1.00 1.44 H new ATOM 0 HB3 ASP A 80 -18.705 -5.311 9.808 1.00 1.44 H new ATOM 1219 N ALA A 81 -17.855 -9.153 8.430 1.00 22.12 N ATOM 1220 CA ALA A 81 -17.839 -10.602 8.544 1.00 11.42 C ATOM 1221 C ALA A 81 -16.441 -11.121 8.203 1.00 41.41 C ATOM 1222 O ALA A 81 -15.841 -11.859 8.983 1.00 12.40 O ATOM 1223 CB ALA A 81 -18.919 -11.197 7.639 1.00 51.15 C ATOM 0 H ALA A 81 -18.293 -8.797 7.581 1.00 22.12 H new ATOM 0 HA ALA A 81 -18.064 -10.909 9.565 1.00 11.42 H new ATOM 0 HB1 ALA A 81 -18.907 -12.284 7.724 1.00 51.15 H new ATOM 0 HB2 ALA A 81 -19.896 -10.820 7.942 1.00 51.15 H new ATOM 0 HB3 ALA A 81 -18.725 -10.912 6.605 1.00 51.15 H new ATOM 1229 N GLU A 82 -15.962 -10.714 7.036 1.00 32.22 N ATOM 1230 CA GLU A 82 -14.646 -11.129 6.582 1.00 3.10 C ATOM 1231 C GLU A 82 -13.613 -10.928 7.693 1.00 32.22 C ATOM 1232 O GLU A 82 -12.920 -11.868 8.079 1.00 71.55 O ATOM 1233 CB GLU A 82 -14.240 -10.375 5.314 1.00 13.42 C ATOM 1234 CG GLU A 82 -15.122 -10.778 4.131 1.00 54.53 C ATOM 1235 CD GLU A 82 -15.289 -9.615 3.150 1.00 10.23 C ATOM 1236 OE1 GLU A 82 -16.354 -8.980 3.116 1.00 23.14 O ATOM 1237 OE2 GLU A 82 -14.262 -9.378 2.406 1.00 13.20 O ATOM 0 H GLU A 82 -16.462 -10.101 6.392 1.00 32.22 H new ATOM 0 HA GLU A 82 -14.686 -12.190 6.337 1.00 3.10 H new ATOM 0 HB2 GLU A 82 -14.321 -9.301 5.483 1.00 13.42 H new ATOM 0 HB3 GLU A 82 -13.196 -10.583 5.081 1.00 13.42 H new ATOM 0 HG2 GLU A 82 -14.680 -11.631 3.617 1.00 54.53 H new ATOM 0 HG3 GLU A 82 -16.100 -11.096 4.493 1.00 54.53 H new ATOM 1245 N THR A 83 -13.543 -9.697 8.177 1.00 54.21 N ATOM 1246 CA THR A 83 -12.607 -9.361 9.236 1.00 12.31 C ATOM 1247 C THR A 83 -12.816 -10.277 10.443 1.00 33.32 C ATOM 1248 O THR A 83 -11.853 -10.695 11.084 1.00 71.52 O ATOM 1249 CB THR A 83 -12.777 -7.876 9.564 1.00 52.01 C ATOM 1250 OG1 THR A 83 -12.564 -7.219 8.318 1.00 51.24 O ATOM 1251 CG2 THR A 83 -11.659 -7.343 10.462 1.00 11.11 C ATOM 0 H THR A 83 -14.120 -8.920 7.855 1.00 54.21 H new ATOM 0 HA THR A 83 -11.577 -9.523 8.919 1.00 12.31 H new ATOM 0 HB THR A 83 -13.739 -7.720 10.051 1.00 52.01 H new ATOM 0 HG1 THR A 83 -13.425 -7.078 7.871 1.00 51.24 H new ATOM 0 HG21 THR A 83 -11.828 -6.285 10.664 1.00 11.11 H new ATOM 0 HG22 THR A 83 -11.652 -7.895 11.402 1.00 11.11 H new ATOM 0 HG23 THR A 83 -10.699 -7.468 9.961 1.00 11.11 H new ATOM 1259 N LYS A 84 -14.081 -10.563 10.717 1.00 3.41 N ATOM 1260 CA LYS A 84 -14.429 -11.422 11.836 1.00 44.10 C ATOM 1261 C LYS A 84 -13.754 -12.783 11.657 1.00 64.31 C ATOM 1262 O LYS A 84 -13.006 -13.228 12.526 1.00 22.52 O ATOM 1263 CB LYS A 84 -15.948 -11.505 11.996 1.00 60.04 C ATOM 1264 CG LYS A 84 -16.448 -10.488 13.024 1.00 42.14 C ATOM 1265 CD LYS A 84 -16.063 -10.909 14.443 1.00 35.34 C ATOM 1266 CE LYS A 84 -16.857 -12.141 14.883 1.00 32.14 C ATOM 1267 NZ LYS A 84 -18.254 -12.057 14.401 1.00 61.21 N ATOM 0 H LYS A 84 -14.877 -10.215 10.183 1.00 3.41 H new ATOM 0 HA LYS A 84 -14.056 -11.001 12.770 1.00 44.10 H new ATOM 0 HB2 LYS A 84 -16.429 -11.322 11.035 1.00 60.04 H new ATOM 0 HB3 LYS A 84 -16.230 -12.511 12.307 1.00 60.04 H new ATOM 0 HG2 LYS A 84 -16.027 -9.507 12.805 1.00 42.14 H new ATOM 0 HG3 LYS A 84 -17.531 -10.393 12.950 1.00 42.14 H new ATOM 0 HD2 LYS A 84 -14.996 -11.126 14.485 1.00 35.34 H new ATOM 0 HD3 LYS A 84 -16.249 -10.086 15.133 1.00 35.34 H new ATOM 0 HE2 LYS A 84 -16.385 -13.043 14.493 1.00 32.14 H new ATOM 0 HE3 LYS A 84 -16.845 -12.219 15.970 1.00 32.14 H new ATOM 0 HZ1 LYS A 84 -18.842 -12.740 14.920 1.00 61.21 H new ATOM 0 HZ2 LYS A 84 -18.619 -11.096 14.559 1.00 61.21 H new ATOM 0 HZ3 LYS A 84 -18.284 -12.276 13.385 1.00 61.21 H new ATOM 1280 N ALA A 85 -14.042 -13.406 10.524 1.00 61.42 N ATOM 1281 CA ALA A 85 -13.472 -14.708 10.220 1.00 71.04 C ATOM 1282 C ALA A 85 -11.948 -14.590 10.153 1.00 11.14 C ATOM 1283 O ALA A 85 -11.241 -15.595 10.208 1.00 51.02 O ATOM 1284 CB ALA A 85 -14.073 -15.236 8.916 1.00 72.44 C ATOM 0 H ALA A 85 -14.663 -13.034 9.805 1.00 61.42 H new ATOM 0 HA ALA A 85 -13.713 -15.425 11.005 1.00 71.04 H new ATOM 0 HB1 ALA A 85 -13.646 -16.212 8.688 1.00 72.44 H new ATOM 0 HB2 ALA A 85 -15.154 -15.329 9.025 1.00 72.44 H new ATOM 0 HB3 ALA A 85 -13.848 -14.543 8.105 1.00 72.44 H new ATOM 1290 N PHE A 86 -11.487 -13.353 10.037 1.00 61.41 N ATOM 1291 CA PHE A 86 -10.060 -13.091 9.963 1.00 44.24 C ATOM 1292 C PHE A 86 -9.456 -12.944 11.361 1.00 43.13 C ATOM 1293 O PHE A 86 -8.309 -13.327 11.589 1.00 53.10 O ATOM 1294 CB PHE A 86 -9.886 -11.774 9.204 1.00 11.40 C ATOM 1295 CG PHE A 86 -8.632 -11.720 8.328 1.00 35.34 C ATOM 1296 CD1 PHE A 86 -7.617 -12.600 8.540 1.00 32.22 C ATOM 1297 CD2 PHE A 86 -8.533 -10.793 7.338 1.00 34.25 C ATOM 1298 CE1 PHE A 86 -6.454 -12.551 7.728 1.00 42.33 C ATOM 1299 CE2 PHE A 86 -7.370 -10.744 6.526 1.00 41.31 C ATOM 1300 CZ PHE A 86 -6.355 -11.624 6.738 1.00 44.53 C ATOM 0 H PHE A 86 -12.076 -12.522 9.992 1.00 61.41 H new ATOM 0 HA PHE A 86 -9.555 -13.918 9.464 1.00 44.24 H new ATOM 0 HB2 PHE A 86 -10.762 -11.610 8.577 1.00 11.40 H new ATOM 0 HB3 PHE A 86 -9.850 -10.955 9.922 1.00 11.40 H new ATOM 0 HD1 PHE A 86 -7.696 -13.336 9.326 1.00 32.22 H new ATOM 0 HD2 PHE A 86 -9.339 -10.094 7.170 1.00 34.25 H new ATOM 0 HE1 PHE A 86 -5.648 -13.250 7.896 1.00 42.33 H new ATOM 0 HE2 PHE A 86 -7.291 -10.008 5.740 1.00 41.31 H new ATOM 0 HZ PHE A 86 -5.470 -11.587 6.120 1.00 44.53 H new ATOM 1310 N LEU A 87 -10.254 -12.388 12.260 1.00 33.31 N ATOM 1311 CA LEU A 87 -9.813 -12.186 13.630 1.00 41.04 C ATOM 1312 C LEU A 87 -9.759 -13.536 14.348 1.00 44.20 C ATOM 1313 O LEU A 87 -8.686 -13.989 14.745 1.00 72.12 O ATOM 1314 CB LEU A 87 -10.696 -11.152 14.330 1.00 14.31 C ATOM 1315 CG LEU A 87 -10.392 -10.900 15.808 1.00 25.12 C ATOM 1316 CD1 LEU A 87 -9.075 -10.138 15.975 1.00 72.44 C ATOM 1317 CD2 LEU A 87 -11.558 -10.186 16.495 1.00 64.13 C ATOM 0 H LEU A 87 -11.204 -12.071 12.067 1.00 33.31 H new ATOM 0 HA LEU A 87 -8.804 -11.774 13.649 1.00 41.04 H new ATOM 0 HB2 LEU A 87 -10.607 -10.206 13.795 1.00 14.31 H new ATOM 0 HB3 LEU A 87 -11.734 -11.472 14.243 1.00 14.31 H new ATOM 0 HG LEU A 87 -10.271 -11.865 16.300 1.00 25.12 H new ATOM 0 HD11 LEU A 87 -8.883 -9.972 17.035 1.00 72.44 H new ATOM 0 HD12 LEU A 87 -8.260 -10.721 15.545 1.00 72.44 H new ATOM 0 HD13 LEU A 87 -9.143 -9.178 15.464 1.00 72.44 H new ATOM 0 HD21 LEU A 87 -11.315 -10.019 17.544 1.00 64.13 H new ATOM 0 HD22 LEU A 87 -11.736 -9.228 16.007 1.00 64.13 H new ATOM 0 HD23 LEU A 87 -12.455 -10.802 16.423 1.00 64.13 H new ATOM 1329 N LYS A 88 -10.929 -14.140 14.493 1.00 24.24 N ATOM 1330 CA LYS A 88 -11.028 -15.429 15.157 1.00 62.00 C ATOM 1331 C LYS A 88 -10.103 -16.429 14.460 1.00 31.12 C ATOM 1332 O LYS A 88 -9.747 -17.456 15.036 1.00 60.11 O ATOM 1333 CB LYS A 88 -12.487 -15.885 15.226 1.00 24.21 C ATOM 1334 CG LYS A 88 -13.149 -15.409 16.520 1.00 14.32 C ATOM 1335 CD LYS A 88 -14.670 -15.342 16.365 1.00 31.43 C ATOM 1336 CE LYS A 88 -15.261 -16.738 16.158 1.00 73.22 C ATOM 1337 NZ LYS A 88 -16.740 -16.678 16.142 1.00 40.42 N ATOM 0 H LYS A 88 -11.816 -13.761 14.162 1.00 24.24 H new ATOM 0 HA LYS A 88 -10.693 -15.352 16.191 1.00 62.00 H new ATOM 0 HB2 LYS A 88 -13.035 -15.495 14.368 1.00 24.21 H new ATOM 0 HB3 LYS A 88 -12.535 -16.972 15.167 1.00 24.21 H new ATOM 0 HG2 LYS A 88 -12.892 -16.086 17.335 1.00 14.32 H new ATOM 0 HG3 LYS A 88 -12.764 -14.426 16.790 1.00 14.32 H new ATOM 0 HD2 LYS A 88 -15.110 -14.885 17.251 1.00 31.43 H new ATOM 0 HD3 LYS A 88 -14.925 -14.706 15.518 1.00 31.43 H new ATOM 0 HE2 LYS A 88 -14.898 -17.157 15.220 1.00 73.22 H new ATOM 0 HE3 LYS A 88 -14.927 -17.403 16.955 1.00 73.22 H new ATOM 0 HZ1 LYS A 88 -17.125 -17.634 16.001 1.00 40.42 H new ATOM 0 HZ2 LYS A 88 -17.082 -16.298 17.048 1.00 40.42 H new ATOM 0 HZ3 LYS A 88 -17.054 -16.060 15.367 1.00 40.42 H new ATOM 1350 N ALA A 89 -9.741 -16.094 13.231 1.00 44.13 N ATOM 1351 CA ALA A 89 -8.864 -16.950 12.449 1.00 12.22 C ATOM 1352 C ALA A 89 -7.500 -17.038 13.136 1.00 44.33 C ATOM 1353 O ALA A 89 -7.008 -18.131 13.410 1.00 60.42 O ATOM 1354 CB ALA A 89 -8.765 -16.411 11.021 1.00 44.41 C ATOM 0 H ALA A 89 -10.039 -15.241 12.757 1.00 44.13 H new ATOM 0 HA ALA A 89 -9.268 -17.961 12.388 1.00 12.22 H new ATOM 0 HB1 ALA A 89 -8.107 -17.053 10.435 1.00 44.41 H new ATOM 0 HB2 ALA A 89 -9.756 -16.397 10.568 1.00 44.41 H new ATOM 0 HB3 ALA A 89 -8.361 -15.399 11.041 1.00 44.41 H new ATOM 1360 N GLY A 90 -6.926 -15.871 13.394 1.00 75.43 N ATOM 1361 CA GLY A 90 -5.628 -15.803 14.043 1.00 53.21 C ATOM 1362 C GLY A 90 -5.779 -15.569 15.548 1.00 74.55 C ATOM 1363 O GLY A 90 -5.255 -16.336 16.354 1.00 73.31 O ATOM 0 H GLY A 90 -7.336 -14.966 13.165 1.00 75.43 H new ATOM 0 HA2 GLY A 90 -5.081 -16.730 13.868 1.00 53.21 H new ATOM 0 HA3 GLY A 90 -5.039 -14.998 13.603 1.00 53.21 H new ATOM 1367 N ASP A 91 -6.498 -14.507 15.880 1.00 33.40 N ATOM 1368 CA ASP A 91 -6.725 -14.163 17.273 1.00 21.45 C ATOM 1369 C ASP A 91 -7.264 -15.388 18.015 1.00 32.04 C ATOM 1370 O ASP A 91 -8.289 -15.949 17.631 1.00 31.33 O ATOM 1371 CB ASP A 91 -7.756 -13.040 17.403 1.00 63.41 C ATOM 1372 CG ASP A 91 -7.516 -12.074 18.564 1.00 13.43 C ATOM 1373 OD1 ASP A 91 -7.532 -12.470 19.739 1.00 21.21 O ATOM 1374 OD2 ASP A 91 -7.304 -10.849 18.219 1.00 0.22 O ATOM 0 H ASP A 91 -6.931 -13.873 15.208 1.00 33.40 H new ATOM 0 HA ASP A 91 -5.777 -13.832 17.697 1.00 21.45 H new ATOM 0 HB2 ASP A 91 -7.770 -12.471 16.473 1.00 63.41 H new ATOM 0 HB3 ASP A 91 -8.744 -13.486 17.519 1.00 63.41 H new ATOM 1380 N SER A 92 -6.550 -15.766 19.065 1.00 63.40 N ATOM 1381 CA SER A 92 -6.944 -16.914 19.864 1.00 23.22 C ATOM 1382 C SER A 92 -8.006 -16.501 20.885 1.00 22.11 C ATOM 1383 O SER A 92 -9.085 -17.049 20.993 1.00 71.23 O ATOM 1384 CB SER A 92 -5.737 -17.531 20.574 1.00 70.52 C ATOM 1385 OG SER A 92 -5.970 -18.889 20.940 1.00 62.05 O ATOM 0 H SER A 92 -5.701 -15.298 19.381 1.00 63.40 H new ATOM 0 HA SER A 92 -7.364 -17.667 19.197 1.00 23.22 H new ATOM 0 HB2 SER A 92 -4.865 -17.476 19.922 1.00 70.52 H new ATOM 0 HB3 SER A 92 -5.505 -16.950 21.466 1.00 70.52 H new ATOM 0 HG SER A 92 -5.176 -19.248 21.389 1.00 62.05 H new ATOM 1391 N ASP A 93 -7.673 -15.500 21.652 1.00 12.20 N ATOM 1392 CA ASP A 93 -8.625 -14.999 22.683 1.00 4.55 C ATOM 1393 C ASP A 93 -9.497 -13.886 22.094 1.00 14.41 C ATOM 1394 O ASP A 93 -10.192 -13.228 22.868 1.00 43.14 O ATOM 1395 CB ASP A 93 -7.741 -14.451 23.804 1.00 5.14 C ATOM 1396 CG ASP A 93 -6.936 -13.258 23.285 1.00 31.22 C ATOM 1397 OD1 ASP A 93 -5.720 -13.300 23.382 1.00 33.55 O ATOM 1398 OD2 ASP A 93 -7.548 -12.321 22.800 1.00 40.51 O ATOM 0 H ASP A 93 -6.781 -15.007 21.609 1.00 12.20 H new ATOM 0 HA ASP A 93 -9.299 -15.778 23.040 1.00 4.55 H new ATOM 0 HB2 ASP A 93 -8.356 -14.147 24.651 1.00 5.14 H new ATOM 0 HB3 ASP A 93 -7.067 -15.229 24.163 1.00 5.14 H new ATOM 1403 N GLY A 94 -9.448 -13.696 20.784 1.00 42.32 N ATOM 1404 CA GLY A 94 -10.241 -12.658 20.148 1.00 43.55 C ATOM 1405 C GLY A 94 -10.305 -11.403 21.021 1.00 23.34 C ATOM 1406 O GLY A 94 -11.388 -10.893 21.302 1.00 1.24 O ATOM 0 H GLY A 94 -8.871 -14.244 20.145 1.00 42.32 H new ATOM 0 HA2 GLY A 94 -9.810 -12.409 19.178 1.00 43.55 H new ATOM 0 HA3 GLY A 94 -11.249 -13.028 19.963 1.00 43.55 H new ATOM 1410 N ASP A 95 -9.130 -10.943 21.427 1.00 54.11 N ATOM 1411 CA ASP A 95 -9.039 -9.758 22.263 1.00 33.12 C ATOM 1412 C ASP A 95 -9.194 -8.510 21.391 1.00 23.50 C ATOM 1413 O ASP A 95 -9.568 -7.447 21.883 1.00 31.22 O ATOM 1414 CB ASP A 95 -7.681 -9.681 22.963 1.00 42.34 C ATOM 1415 CG ASP A 95 -6.477 -10.005 22.075 1.00 12.42 C ATOM 1416 OD1 ASP A 95 -6.598 -10.101 20.845 1.00 74.11 O ATOM 1417 OD2 ASP A 95 -5.362 -10.163 22.705 1.00 55.31 O ATOM 0 H ASP A 95 -8.234 -11.370 21.192 1.00 54.11 H new ATOM 0 HA ASP A 95 -9.828 -9.813 23.013 1.00 33.12 H new ATOM 0 HB2 ASP A 95 -7.555 -8.677 23.369 1.00 42.34 H new ATOM 0 HB3 ASP A 95 -7.685 -10.369 23.809 1.00 42.34 H new ATOM 1423 N GLY A 96 -8.897 -8.682 20.111 1.00 13.21 N ATOM 1424 CA GLY A 96 -8.999 -7.583 19.166 1.00 45.11 C ATOM 1425 C GLY A 96 -7.632 -7.248 18.565 1.00 25.54 C ATOM 1426 O GLY A 96 -7.507 -6.310 17.781 1.00 52.54 O ATOM 0 H GLY A 96 -8.586 -9.565 19.707 1.00 13.21 H new ATOM 0 HA2 GLY A 96 -9.695 -7.847 18.370 1.00 45.11 H new ATOM 0 HA3 GLY A 96 -9.405 -6.704 19.667 1.00 45.11 H new ATOM 1430 N LYS A 97 -6.640 -8.035 18.957 1.00 32.32 N ATOM 1431 CA LYS A 97 -5.287 -7.834 18.468 1.00 70.55 C ATOM 1432 C LYS A 97 -4.725 -9.169 17.972 1.00 12.33 C ATOM 1433 O LYS A 97 -5.011 -10.218 18.547 1.00 62.12 O ATOM 1434 CB LYS A 97 -4.424 -7.163 19.538 1.00 70.12 C ATOM 1435 CG LYS A 97 -5.215 -6.088 20.285 1.00 14.12 C ATOM 1436 CD LYS A 97 -4.277 -5.123 21.013 1.00 31.22 C ATOM 1437 CE LYS A 97 -3.712 -5.762 22.284 1.00 52.34 C ATOM 1438 NZ LYS A 97 -2.674 -4.893 22.883 1.00 72.33 N ATOM 0 H LYS A 97 -6.747 -8.813 19.608 1.00 32.32 H new ATOM 0 HA LYS A 97 -5.287 -7.152 17.618 1.00 70.55 H new ATOM 0 HB2 LYS A 97 -4.066 -7.912 20.244 1.00 70.12 H new ATOM 0 HB3 LYS A 97 -3.545 -6.716 19.074 1.00 70.12 H new ATOM 0 HG2 LYS A 97 -5.837 -5.535 19.582 1.00 14.12 H new ATOM 0 HG3 LYS A 97 -5.887 -6.559 21.003 1.00 14.12 H new ATOM 0 HD2 LYS A 97 -3.460 -4.836 20.351 1.00 31.22 H new ATOM 0 HD3 LYS A 97 -4.815 -4.210 21.269 1.00 31.22 H new ATOM 0 HE2 LYS A 97 -4.515 -5.928 23.002 1.00 52.34 H new ATOM 0 HE3 LYS A 97 -3.287 -6.738 22.050 1.00 52.34 H new ATOM 0 HZ1 LYS A 97 -2.568 -5.124 23.891 1.00 72.33 H new ATOM 0 HZ2 LYS A 97 -1.768 -5.047 22.395 1.00 72.33 H new ATOM 0 HZ3 LYS A 97 -2.956 -3.897 22.784 1.00 72.33 H new ATOM 1451 N ILE A 98 -3.936 -9.085 16.911 1.00 14.31 N ATOM 1452 CA ILE A 98 -3.332 -10.272 16.332 1.00 30.50 C ATOM 1453 C ILE A 98 -1.828 -10.045 16.167 1.00 21.43 C ATOM 1454 O ILE A 98 -1.398 -9.356 15.244 1.00 70.23 O ATOM 1455 CB ILE A 98 -4.042 -10.655 15.032 1.00 31.40 C ATOM 1456 CG1 ILE A 98 -5.340 -11.412 15.319 1.00 75.50 C ATOM 1457 CG2 ILE A 98 -3.110 -11.445 14.110 1.00 12.52 C ATOM 1458 CD1 ILE A 98 -5.870 -12.092 14.054 1.00 11.34 C ATOM 0 H ILE A 98 -3.701 -8.213 16.437 1.00 14.31 H new ATOM 0 HA ILE A 98 -3.455 -11.125 16.999 1.00 30.50 H new ATOM 0 HB ILE A 98 -4.313 -9.738 14.508 1.00 31.40 H new ATOM 0 HG12 ILE A 98 -5.165 -12.160 16.092 1.00 75.50 H new ATOM 0 HG13 ILE A 98 -6.090 -10.722 15.706 1.00 75.50 H new ATOM 0 HG21 ILE A 98 -3.639 -11.705 13.193 1.00 12.52 H new ATOM 0 HG22 ILE A 98 -2.239 -10.837 13.866 1.00 12.52 H new ATOM 0 HG23 ILE A 98 -2.787 -12.356 14.613 1.00 12.52 H new ATOM 0 HD11 ILE A 98 -6.793 -12.623 14.286 1.00 11.34 H new ATOM 0 HD12 ILE A 98 -6.066 -11.339 13.291 1.00 11.34 H new ATOM 0 HD13 ILE A 98 -5.128 -12.799 13.683 1.00 11.34 H new ATOM 1470 N GLY A 99 -1.069 -10.638 17.077 1.00 33.44 N ATOM 1471 CA GLY A 99 0.378 -10.509 17.045 1.00 73.54 C ATOM 1472 C GLY A 99 0.975 -11.329 15.899 1.00 43.53 C ATOM 1473 O GLY A 99 0.265 -11.719 14.974 1.00 72.22 O ATOM 0 H GLY A 99 -1.429 -11.209 17.841 1.00 33.44 H new ATOM 0 HA2 GLY A 99 0.651 -9.460 16.928 1.00 73.54 H new ATOM 0 HA3 GLY A 99 0.798 -10.843 17.994 1.00 73.54 H new ATOM 1477 N ILE A 100 2.275 -11.564 15.998 1.00 64.24 N ATOM 1478 CA ILE A 100 2.977 -12.330 14.981 1.00 54.31 C ATOM 1479 C ILE A 100 2.790 -13.823 15.254 1.00 23.53 C ATOM 1480 O ILE A 100 2.638 -14.614 14.324 1.00 20.15 O ATOM 1481 CB ILE A 100 4.442 -11.897 14.900 1.00 21.34 C ATOM 1482 CG1 ILE A 100 4.940 -11.913 13.454 1.00 73.14 C ATOM 1483 CG2 ILE A 100 5.318 -12.754 15.817 1.00 34.11 C ATOM 1484 CD1 ILE A 100 5.217 -13.343 12.985 1.00 42.22 C ATOM 0 H ILE A 100 2.861 -11.238 16.767 1.00 64.24 H new ATOM 0 HA ILE A 100 2.556 -12.131 13.995 1.00 54.31 H new ATOM 0 HB ILE A 100 4.514 -10.868 15.254 1.00 21.34 H new ATOM 0 HG12 ILE A 100 4.196 -11.451 12.804 1.00 73.14 H new ATOM 0 HG13 ILE A 100 5.849 -11.317 13.372 1.00 73.14 H new ATOM 0 HG21 ILE A 100 6.355 -12.426 15.741 1.00 34.11 H new ATOM 0 HG22 ILE A 100 4.979 -12.648 16.847 1.00 34.11 H new ATOM 0 HG23 ILE A 100 5.245 -13.799 15.517 1.00 34.11 H new ATOM 0 HD11 ILE A 100 5.570 -13.326 11.954 1.00 42.22 H new ATOM 0 HD12 ILE A 100 5.978 -13.794 13.622 1.00 42.22 H new ATOM 0 HD13 ILE A 100 4.300 -13.930 13.045 1.00 42.22 H new ATOM 1496 N ASP A 101 2.809 -14.165 16.534 1.00 15.13 N ATOM 1497 CA ASP A 101 2.643 -15.550 16.942 1.00 45.21 C ATOM 1498 C ASP A 101 1.261 -16.043 16.509 1.00 2.14 C ATOM 1499 O ASP A 101 1.077 -17.230 16.243 1.00 52.52 O ATOM 1500 CB ASP A 101 2.742 -15.692 18.462 1.00 32.10 C ATOM 1501 CG ASP A 101 3.711 -14.722 19.141 1.00 54.21 C ATOM 1502 OD1 ASP A 101 3.336 -13.599 19.510 1.00 10.11 O ATOM 1503 OD2 ASP A 101 4.913 -15.166 19.288 1.00 12.25 O ATOM 0 H ASP A 101 2.937 -13.507 17.303 1.00 15.13 H new ATOM 0 HA ASP A 101 3.433 -16.137 16.473 1.00 45.21 H new ATOM 0 HB2 ASP A 101 1.750 -15.550 18.890 1.00 32.10 H new ATOM 0 HB3 ASP A 101 3.048 -16.711 18.697 1.00 32.10 H new ATOM 1509 N GLU A 102 0.325 -15.107 16.453 1.00 1.02 N ATOM 1510 CA GLU A 102 -1.035 -15.431 16.058 1.00 61.44 C ATOM 1511 C GLU A 102 -1.208 -15.243 14.549 1.00 31.11 C ATOM 1512 O GLU A 102 -1.804 -16.085 13.879 1.00 21.33 O ATOM 1513 CB GLU A 102 -2.048 -14.589 16.835 1.00 1.12 C ATOM 1514 CG GLU A 102 -2.427 -15.266 18.154 1.00 74.34 C ATOM 1515 CD GLU A 102 -2.765 -14.229 19.226 1.00 40.51 C ATOM 1516 OE1 GLU A 102 -2.534 -13.032 18.950 1.00 43.51 O ATOM 1517 OE2 GLU A 102 -3.247 -14.656 20.297 1.00 3.44 O ATOM 0 H GLU A 102 0.482 -14.124 16.675 1.00 1.02 H new ATOM 0 HA GLU A 102 -1.223 -16.477 16.298 1.00 61.44 H new ATOM 0 HB2 GLU A 102 -1.629 -13.603 17.036 1.00 1.12 H new ATOM 0 HB3 GLU A 102 -2.942 -14.438 16.229 1.00 1.12 H new ATOM 0 HG2 GLU A 102 -3.282 -15.923 17.997 1.00 74.34 H new ATOM 0 HG3 GLU A 102 -1.602 -15.892 18.496 1.00 74.34 H new ATOM 1524 N PHE A 103 -0.677 -14.133 14.059 1.00 43.03 N ATOM 1525 CA PHE A 103 -0.765 -13.823 12.642 1.00 71.42 C ATOM 1526 C PHE A 103 -0.026 -14.869 11.805 1.00 63.32 C ATOM 1527 O PHE A 103 -0.387 -15.118 10.656 1.00 63.15 O ATOM 1528 CB PHE A 103 -0.099 -12.461 12.439 1.00 24.31 C ATOM 1529 CG PHE A 103 0.170 -12.112 10.974 1.00 54.41 C ATOM 1530 CD1 PHE A 103 1.414 -12.281 10.451 1.00 34.10 C ATOM 1531 CD2 PHE A 103 -0.836 -11.631 10.194 1.00 30.34 C ATOM 1532 CE1 PHE A 103 1.662 -11.956 9.091 1.00 25.53 C ATOM 1533 CE2 PHE A 103 -0.587 -11.307 8.835 1.00 51.44 C ATOM 1534 CZ PHE A 103 0.657 -11.476 8.312 1.00 71.13 C ATOM 0 H PHE A 103 -0.184 -13.437 14.618 1.00 43.03 H new ATOM 0 HA PHE A 103 -1.809 -13.816 12.327 1.00 71.42 H new ATOM 0 HB2 PHE A 103 -0.733 -11.689 12.875 1.00 24.31 H new ATOM 0 HB3 PHE A 103 0.844 -12.444 12.985 1.00 24.31 H new ATOM 0 HD1 PHE A 103 2.213 -12.662 11.070 1.00 34.10 H new ATOM 0 HD2 PHE A 103 -1.824 -11.496 10.609 1.00 30.34 H new ATOM 0 HE1 PHE A 103 2.650 -12.090 8.675 1.00 25.53 H new ATOM 0 HE2 PHE A 103 -1.386 -10.926 8.216 1.00 51.44 H new ATOM 0 HZ PHE A 103 0.846 -11.229 7.278 1.00 71.13 H new ATOM 1544 N ALA A 104 0.996 -15.454 12.414 1.00 55.32 N ATOM 1545 CA ALA A 104 1.789 -16.467 11.739 1.00 31.11 C ATOM 1546 C ALA A 104 1.150 -17.840 11.960 1.00 53.51 C ATOM 1547 O ALA A 104 1.536 -18.818 11.322 1.00 11.12 O ATOM 1548 CB ALA A 104 3.231 -16.407 12.246 1.00 63.34 C ATOM 0 H ALA A 104 1.293 -15.245 13.367 1.00 55.32 H new ATOM 0 HA ALA A 104 1.813 -16.284 10.665 1.00 31.11 H new ATOM 0 HB1 ALA A 104 3.827 -17.167 11.740 1.00 63.34 H new ATOM 0 HB2 ALA A 104 3.649 -15.422 12.039 1.00 63.34 H new ATOM 0 HB3 ALA A 104 3.247 -16.590 13.320 1.00 63.34 H new ATOM 1554 N ALA A 105 0.183 -17.868 12.865 1.00 11.23 N ATOM 1555 CA ALA A 105 -0.513 -19.104 13.178 1.00 35.13 C ATOM 1556 C ALA A 105 -1.539 -19.399 12.081 1.00 4.33 C ATOM 1557 O ALA A 105 -1.536 -20.482 11.499 1.00 60.10 O ATOM 1558 CB ALA A 105 -1.156 -18.992 14.562 1.00 13.01 C ATOM 0 H ALA A 105 -0.135 -17.054 13.392 1.00 11.23 H new ATOM 0 HA ALA A 105 0.186 -19.940 13.210 1.00 35.13 H new ATOM 0 HB1 ALA A 105 -1.678 -19.920 14.797 1.00 13.01 H new ATOM 0 HB2 ALA A 105 -0.383 -18.812 15.309 1.00 13.01 H new ATOM 0 HB3 ALA A 105 -1.866 -18.165 14.568 1.00 13.01 H new ATOM 1564 N MET A 106 -2.391 -18.415 11.833 1.00 63.14 N ATOM 1565 CA MET A 106 -3.419 -18.555 10.816 1.00 73.11 C ATOM 1566 C MET A 106 -2.817 -19.015 9.487 1.00 74.24 C ATOM 1567 O MET A 106 -3.531 -19.511 8.616 1.00 14.41 O ATOM 1568 CB MET A 106 -4.128 -17.214 10.618 1.00 12.34 C ATOM 1569 CG MET A 106 -3.123 -16.103 10.307 1.00 21.03 C ATOM 1570 SD MET A 106 -3.797 -14.519 10.779 1.00 35.33 S ATOM 1571 CE MET A 106 -5.360 -14.579 9.918 1.00 43.31 C ATOM 0 H MET A 106 -2.390 -17.518 12.319 1.00 63.14 H new ATOM 0 HA MET A 106 -4.133 -19.308 11.150 1.00 73.11 H new ATOM 0 HB2 MET A 106 -4.848 -17.296 9.804 1.00 12.34 H new ATOM 0 HB3 MET A 106 -4.690 -16.960 11.517 1.00 12.34 H new ATOM 0 HG2 MET A 106 -2.191 -16.285 10.842 1.00 21.03 H new ATOM 0 HG3 MET A 106 -2.885 -16.104 9.243 1.00 21.03 H new ATOM 0 HE1 MET A 106 -5.835 -13.599 9.957 1.00 43.31 H new ATOM 0 HE2 MET A 106 -5.192 -14.860 8.878 1.00 43.31 H new ATOM 0 HE3 MET A 106 -6.009 -15.315 10.392 1.00 43.31 H new ATOM 1581 N ILE A 107 -1.510 -18.835 9.372 1.00 62.10 N ATOM 1582 CA ILE A 107 -0.804 -19.226 8.164 1.00 43.45 C ATOM 1583 C ILE A 107 0.027 -20.479 8.446 1.00 41.01 C ATOM 1584 O ILE A 107 0.179 -21.336 7.577 1.00 45.12 O ATOM 1585 CB ILE A 107 0.016 -18.054 7.620 1.00 43.12 C ATOM 1586 CG1 ILE A 107 0.516 -17.160 8.757 1.00 54.24 C ATOM 1587 CG2 ILE A 107 -0.779 -17.265 6.577 1.00 21.24 C ATOM 1588 CD1 ILE A 107 1.323 -15.980 8.212 1.00 63.00 C ATOM 0 H ILE A 107 -0.921 -18.423 10.096 1.00 62.10 H new ATOM 0 HA ILE A 107 -1.512 -19.484 7.376 1.00 43.45 H new ATOM 0 HB ILE A 107 0.895 -18.457 7.117 1.00 43.12 H new ATOM 0 HG12 ILE A 107 -0.332 -16.790 9.333 1.00 54.24 H new ATOM 0 HG13 ILE A 107 1.134 -17.744 9.439 1.00 54.24 H new ATOM 0 HG21 ILE A 107 -0.173 -16.438 6.207 1.00 21.24 H new ATOM 0 HG22 ILE A 107 -1.043 -17.921 5.748 1.00 21.24 H new ATOM 0 HG23 ILE A 107 -1.688 -16.873 7.033 1.00 21.24 H new ATOM 0 HD11 ILE A 107 1.667 -15.361 9.040 1.00 63.00 H new ATOM 0 HD12 ILE A 107 2.184 -16.353 7.657 1.00 63.00 H new ATOM 0 HD13 ILE A 107 0.695 -15.384 7.550 1.00 63.00 H new ATOM 1600 N LYS A 108 0.543 -20.546 9.665 1.00 74.24 N ATOM 1601 CA LYS A 108 1.354 -21.680 10.072 1.00 21.44 C ATOM 1602 C LYS A 108 0.454 -22.903 10.265 1.00 43.23 C ATOM 1603 O LYS A 108 0.942 -24.028 10.361 1.00 11.14 O ATOM 1604 CB LYS A 108 2.185 -21.328 11.308 1.00 61.12 C ATOM 1605 CG LYS A 108 2.885 -22.567 11.870 1.00 74.42 C ATOM 1606 CD LYS A 108 4.169 -22.185 12.608 1.00 11.30 C ATOM 1607 CE LYS A 108 4.724 -23.374 13.394 1.00 3.35 C ATOM 1608 NZ LYS A 108 5.821 -22.938 14.288 1.00 53.51 N ATOM 0 H LYS A 108 0.415 -19.833 10.383 1.00 74.24 H new ATOM 0 HA LYS A 108 2.073 -21.933 9.293 1.00 21.44 H new ATOM 0 HB2 LYS A 108 2.927 -20.573 11.049 1.00 61.12 H new ATOM 0 HB3 LYS A 108 1.541 -20.892 12.072 1.00 61.12 H new ATOM 0 HG2 LYS A 108 2.213 -23.091 12.550 1.00 74.42 H new ATOM 0 HG3 LYS A 108 3.119 -23.256 11.059 1.00 74.42 H new ATOM 0 HD2 LYS A 108 4.914 -21.838 11.892 1.00 11.30 H new ATOM 0 HD3 LYS A 108 3.969 -21.357 13.288 1.00 11.30 H new ATOM 0 HE2 LYS A 108 3.928 -23.832 13.982 1.00 3.35 H new ATOM 0 HE3 LYS A 108 5.090 -24.135 12.704 1.00 3.35 H new ATOM 0 HZ1 LYS A 108 6.186 -23.757 14.814 1.00 53.51 H new ATOM 0 HZ2 LYS A 108 6.587 -22.521 13.721 1.00 53.51 H new ATOM 0 HZ3 LYS A 108 5.462 -22.229 14.958 1.00 53.51 H new ATOM 1621 N GLY A 109 -0.843 -22.641 10.314 1.00 14.54 N ATOM 1622 CA GLY A 109 -1.816 -23.705 10.493 1.00 21.34 C ATOM 1623 C GLY A 109 -3.229 -23.219 10.165 1.00 43.53 C ATOM 1624 O GLY A 109 -3.838 -23.676 9.199 1.00 21.43 O ATOM 0 H GLY A 109 -1.244 -21.706 10.233 1.00 14.54 H new ATOM 0 HA2 GLY A 109 -1.560 -24.548 9.851 1.00 21.34 H new ATOM 0 HA3 GLY A 109 -1.781 -24.065 11.521 1.00 21.34 H new TER 1628 GLY A 109 HETATM 1629 CA CA A 201 0.490 -2.262 12.994 1.00 54.12 CA HETATM 1630 CA CA A 202 -4.797 -12.278 20.500 1.00 12.52 CA