USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 631 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 55 GLN : amide:sc= 1.82 K(o=3,f=-5.5!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -170:sc= 1.16 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ -149:sc= 0 (180deg=0) USER MOD Set 2.2: A 26 ASN : amide:sc= -0.12 K(o=-0.12,f=-3.7!) USER MOD Single : A 1 MET CE :methyl 153:sc= -0.11 (180deg=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= 0.238 (180deg=0.0169) USER MOD Single : A 9 TYR OH : rot -86:sc= 0.805 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -67:sc= 1.03 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot -124:sc= 0.633 USER MOD Single : A 24 ASN : amide:sc= -0.698 K(o=-0.7,f=-4.3!) USER MOD Single : A 28 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.051) USER MOD Single : A 38 MET CE :methyl -165:sc= -1.04 (180deg=-1.66) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 47 ASN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= -0.02 (180deg=-0.108) USER MOD Single : A 70 TYR OH : rot 31:sc= 0.0347 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.468 13.279 7.067 1.00 21.34 N ATOM 2 CA MET A 1 -4.881 13.304 5.698 1.00 52.25 C ATOM 3 C MET A 1 -5.769 12.567 4.684 1.00 71.04 C ATOM 4 O MET A 1 -6.217 11.447 4.936 1.00 44.14 O ATOM 5 CB MET A 1 -3.485 12.661 5.704 1.00 75.43 C ATOM 6 CG MET A 1 -2.806 12.661 4.339 1.00 44.24 C ATOM 7 SD MET A 1 -1.239 11.767 4.330 1.00 13.35 S ATOM 8 CE MET A 1 -1.791 10.089 4.641 1.00 72.13 C ATOM 0 H1 MET A 1 -5.195 14.143 7.577 1.00 21.34 H new ATOM 0 H2 MET A 1 -6.505 13.229 6.999 1.00 21.34 H new ATOM 0 H3 MET A 1 -5.114 12.447 7.581 1.00 21.34 H new ATOM 0 HA MET A 1 -4.808 14.349 5.398 1.00 52.25 H new ATOM 0 HB2 MET A 1 -2.853 13.193 6.415 1.00 75.43 H new ATOM 0 HB3 MET A 1 -3.569 11.634 6.058 1.00 75.43 H new ATOM 0 HG2 MET A 1 -3.477 12.214 3.606 1.00 44.24 H new ATOM 0 HG3 MET A 1 -2.632 13.691 4.026 1.00 44.24 H new ATOM 0 HE1 MET A 1 -1.079 9.386 4.209 1.00 72.13 H new ATOM 0 HE2 MET A 1 -1.859 9.922 5.716 1.00 72.13 H new ATOM 0 HE3 MET A 1 -2.771 9.938 4.188 1.00 72.13 H new ATOM 20 N ASP A 2 -6.010 13.200 3.539 1.00 73.23 N ATOM 21 CA ASP A 2 -6.731 12.568 2.430 1.00 31.34 C ATOM 22 C ASP A 2 -5.745 12.094 1.347 1.00 51.03 C ATOM 23 O ASP A 2 -4.627 12.605 1.242 1.00 42.24 O ATOM 24 CB ASP A 2 -7.755 13.549 1.840 1.00 72.35 C ATOM 25 CG ASP A 2 -8.602 12.919 0.749 1.00 10.44 C ATOM 26 OD1 ASP A 2 -9.152 11.823 0.980 1.00 71.04 O ATOM 27 OD2 ASP A 2 -8.734 13.515 -0.339 1.00 64.13 O ATOM 0 H ASP A 2 -5.715 14.158 3.351 1.00 73.23 H new ATOM 0 HA ASP A 2 -7.264 11.696 2.809 1.00 31.34 H new ATOM 0 HB2 ASP A 2 -8.405 13.913 2.636 1.00 72.35 H new ATOM 0 HB3 ASP A 2 -7.232 14.415 1.435 1.00 72.35 H new ATOM 32 N VAL A 3 -6.153 11.111 0.549 1.00 40.34 N ATOM 33 CA VAL A 3 -5.270 10.532 -0.472 1.00 2.14 C ATOM 34 C VAL A 3 -5.832 10.714 -1.891 1.00 10.40 C ATOM 35 O VAL A 3 -6.984 10.381 -2.167 1.00 63.44 O ATOM 36 CB VAL A 3 -5.023 9.025 -0.206 1.00 73.34 C ATOM 37 CG1 VAL A 3 -4.106 8.422 -1.274 1.00 21.11 C ATOM 38 CG2 VAL A 3 -4.438 8.818 1.191 1.00 61.54 C ATOM 0 H VAL A 3 -7.084 10.697 0.585 1.00 40.34 H new ATOM 0 HA VAL A 3 -4.324 11.070 -0.406 1.00 2.14 H new ATOM 0 HB VAL A 3 -5.981 8.509 -0.258 1.00 73.34 H new ATOM 0 HG11 VAL A 3 -3.949 7.364 -1.064 1.00 21.11 H new ATOM 0 HG12 VAL A 3 -4.568 8.532 -2.255 1.00 21.11 H new ATOM 0 HG13 VAL A 3 -3.147 8.940 -1.265 1.00 21.11 H new ATOM 0 HG21 VAL A 3 -4.271 7.754 1.361 1.00 61.54 H new ATOM 0 HG22 VAL A 3 -3.491 9.352 1.272 1.00 61.54 H new ATOM 0 HG23 VAL A 3 -5.135 9.200 1.937 1.00 61.54 H new ATOM 48 N GLU A 4 -5.000 11.245 -2.785 1.00 33.14 N ATOM 49 CA GLU A 4 -5.374 11.425 -4.191 1.00 62.12 C ATOM 50 C GLU A 4 -4.743 10.331 -5.071 1.00 55.00 C ATOM 51 O GLU A 4 -3.602 9.918 -4.840 1.00 41.32 O ATOM 52 CB GLU A 4 -4.910 12.798 -4.687 1.00 52.43 C ATOM 53 CG GLU A 4 -5.430 13.973 -3.870 1.00 63.12 C ATOM 54 CD GLU A 4 -4.840 15.292 -4.340 1.00 3.50 C ATOM 55 OE1 GLU A 4 -5.323 15.844 -5.348 1.00 3.32 O ATOM 56 OE2 GLU A 4 -3.856 15.760 -3.729 1.00 63.15 O ATOM 0 H GLU A 4 -4.056 11.561 -2.561 1.00 33.14 H new ATOM 0 HA GLU A 4 -6.459 11.355 -4.262 1.00 62.12 H new ATOM 0 HB2 GLU A 4 -3.820 12.823 -4.683 1.00 52.43 H new ATOM 0 HB3 GLU A 4 -5.228 12.923 -5.722 1.00 52.43 H new ATOM 0 HG2 GLU A 4 -6.517 14.014 -3.943 1.00 63.12 H new ATOM 0 HG3 GLU A 4 -5.187 13.820 -2.818 1.00 63.12 H new ATOM 63 N PRO A 5 -5.467 9.853 -6.099 1.00 23.24 N ATOM 64 CA PRO A 5 -4.943 8.835 -7.024 1.00 42.14 C ATOM 65 C PRO A 5 -3.821 9.386 -7.922 1.00 1.13 C ATOM 66 O PRO A 5 -4.060 10.216 -8.798 1.00 3.31 O ATOM 67 CB PRO A 5 -6.176 8.443 -7.852 1.00 22.05 C ATOM 68 CG PRO A 5 -7.066 9.640 -7.797 1.00 43.12 C ATOM 69 CD PRO A 5 -6.845 10.262 -6.443 1.00 71.31 C ATOM 0 HA PRO A 5 -4.488 7.994 -6.501 1.00 42.14 H new ATOM 0 HB2 PRO A 5 -5.902 8.200 -8.879 1.00 22.05 H new ATOM 0 HB3 PRO A 5 -6.669 7.564 -7.437 1.00 22.05 H new ATOM 0 HG2 PRO A 5 -6.823 10.343 -8.593 1.00 43.12 H new ATOM 0 HG3 PRO A 5 -8.110 9.356 -7.930 1.00 43.12 H new ATOM 0 HD2 PRO A 5 -6.945 11.347 -6.478 1.00 71.31 H new ATOM 0 HD3 PRO A 5 -7.567 9.899 -5.711 1.00 71.31 H new ATOM 77 N GLY A 6 -2.593 8.924 -7.693 1.00 1.21 N ATOM 78 CA GLY A 6 -1.449 9.406 -8.466 1.00 31.34 C ATOM 79 C GLY A 6 -0.435 10.193 -7.634 1.00 10.44 C ATOM 80 O GLY A 6 0.611 10.597 -8.146 1.00 21.34 O ATOM 0 H GLY A 6 -2.365 8.224 -6.987 1.00 1.21 H new ATOM 0 HA2 GLY A 6 -0.947 8.554 -8.925 1.00 31.34 H new ATOM 0 HA3 GLY A 6 -1.810 10.039 -9.277 1.00 31.34 H new ATOM 84 N LYS A 7 -0.736 10.410 -6.351 1.00 32.02 N ATOM 85 CA LYS A 7 0.164 11.156 -5.456 1.00 3.44 C ATOM 86 C LYS A 7 1.088 10.224 -4.654 1.00 33.51 C ATOM 87 O LYS A 7 0.832 9.022 -4.526 1.00 11.12 O ATOM 88 CB LYS A 7 -0.647 12.039 -4.495 1.00 11.11 C ATOM 89 CG LYS A 7 -1.472 13.116 -5.193 1.00 3.14 C ATOM 90 CD LYS A 7 -0.605 14.049 -6.038 1.00 11.22 C ATOM 91 CE LYS A 7 -1.428 15.148 -6.704 1.00 21.11 C ATOM 92 NZ LYS A 7 -2.037 16.072 -5.712 1.00 31.30 N ATOM 0 H LYS A 7 -1.593 10.082 -5.906 1.00 32.02 H new ATOM 0 HA LYS A 7 0.793 11.785 -6.086 1.00 3.44 H new ATOM 0 HB2 LYS A 7 -1.314 11.405 -3.911 1.00 11.11 H new ATOM 0 HB3 LYS A 7 0.036 12.516 -3.792 1.00 11.11 H new ATOM 0 HG2 LYS A 7 -2.221 12.643 -5.829 1.00 3.14 H new ATOM 0 HG3 LYS A 7 -2.011 13.700 -4.447 1.00 3.14 H new ATOM 0 HD2 LYS A 7 0.161 14.501 -5.408 1.00 11.22 H new ATOM 0 HD3 LYS A 7 -0.088 13.470 -6.803 1.00 11.22 H new ATOM 0 HE2 LYS A 7 -0.792 15.715 -7.383 1.00 21.11 H new ATOM 0 HE3 LYS A 7 -2.215 14.695 -7.307 1.00 21.11 H new ATOM 0 HZ1 LYS A 7 -2.706 16.706 -6.193 1.00 31.30 H new ATOM 0 HZ2 LYS A 7 -2.542 15.521 -4.988 1.00 31.30 H new ATOM 0 HZ3 LYS A 7 -1.290 16.636 -5.259 1.00 31.30 H new ATOM 106 N PHE A 8 2.157 10.797 -4.104 1.00 60.32 N ATOM 107 CA PHE A 8 3.172 10.033 -3.369 1.00 31.43 C ATOM 108 C PHE A 8 2.910 10.058 -1.852 1.00 74.21 C ATOM 109 O PHE A 8 2.676 11.120 -1.271 1.00 71.13 O ATOM 110 CB PHE A 8 4.566 10.613 -3.661 1.00 53.24 C ATOM 111 CG PHE A 8 4.955 10.583 -5.123 1.00 50.40 C ATOM 112 CD1 PHE A 8 4.300 11.379 -6.056 1.00 12.52 C ATOM 113 CD2 PHE A 8 5.983 9.762 -5.566 1.00 44.53 C ATOM 114 CE1 PHE A 8 4.659 11.353 -7.391 1.00 75.21 C ATOM 115 CE2 PHE A 8 6.345 9.734 -6.900 1.00 70.43 C ATOM 116 CZ PHE A 8 5.683 10.529 -7.812 1.00 74.11 C ATOM 0 H PHE A 8 2.346 11.798 -4.153 1.00 60.32 H new ATOM 0 HA PHE A 8 3.121 8.997 -3.703 1.00 31.43 H new ATOM 0 HB2 PHE A 8 4.600 11.644 -3.308 1.00 53.24 H new ATOM 0 HB3 PHE A 8 5.307 10.056 -3.088 1.00 53.24 H new ATOM 0 HD1 PHE A 8 3.499 12.027 -5.733 1.00 12.52 H new ATOM 0 HD2 PHE A 8 6.507 9.136 -4.859 1.00 44.53 H new ATOM 0 HE1 PHE A 8 4.139 11.976 -8.103 1.00 75.21 H new ATOM 0 HE2 PHE A 8 7.147 9.089 -7.228 1.00 70.43 H new ATOM 0 HZ PHE A 8 5.965 10.507 -8.854 1.00 74.11 H new ATOM 126 N TYR A 9 2.960 8.884 -1.215 1.00 2.53 N ATOM 127 CA TYR A 9 2.749 8.766 0.240 1.00 33.04 C ATOM 128 C TYR A 9 3.586 7.630 0.862 1.00 44.42 C ATOM 129 O TYR A 9 3.932 6.655 0.198 1.00 21.15 O ATOM 130 CB TYR A 9 1.262 8.519 0.563 1.00 30.14 C ATOM 131 CG TYR A 9 0.352 9.716 0.344 1.00 10.13 C ATOM 132 CD1 TYR A 9 0.346 10.772 1.250 1.00 43.34 C ATOM 133 CD2 TYR A 9 -0.507 9.789 -0.750 1.00 65.14 C ATOM 134 CE1 TYR A 9 -0.482 11.860 1.073 1.00 70.02 C ATOM 135 CE2 TYR A 9 -1.342 10.878 -0.931 1.00 64.15 C ATOM 136 CZ TYR A 9 -1.325 11.909 -0.015 1.00 5.31 C ATOM 137 OH TYR A 9 -2.153 12.996 -0.186 1.00 44.44 O ATOM 0 H TYR A 9 3.145 7.996 -1.682 1.00 2.53 H new ATOM 0 HA TYR A 9 3.072 9.713 0.673 1.00 33.04 H new ATOM 0 HB2 TYR A 9 0.904 7.692 -0.051 1.00 30.14 H new ATOM 0 HB3 TYR A 9 1.179 8.203 1.603 1.00 30.14 H new ATOM 0 HD1 TYR A 9 1.002 10.739 2.107 1.00 43.34 H new ATOM 0 HD2 TYR A 9 -0.522 8.983 -1.469 1.00 65.14 H new ATOM 0 HE1 TYR A 9 -0.470 12.672 1.785 1.00 70.02 H new ATOM 0 HE2 TYR A 9 -2.003 10.920 -1.784 1.00 64.15 H new ATOM 0 HH TYR A 9 -2.983 12.857 0.316 1.00 44.44 H new ATOM 147 N LYS A 10 3.909 7.773 2.146 1.00 53.24 N ATOM 148 CA LYS A 10 4.537 6.693 2.921 1.00 71.21 C ATOM 149 C LYS A 10 3.478 5.968 3.763 1.00 4.22 C ATOM 150 O LYS A 10 2.585 6.600 4.329 1.00 42.23 O ATOM 151 CB LYS A 10 5.639 7.244 3.846 1.00 1.12 C ATOM 152 CG LYS A 10 6.274 6.178 4.745 1.00 74.11 C ATOM 153 CD LYS A 10 7.235 6.773 5.775 1.00 72.40 C ATOM 154 CE LYS A 10 8.450 7.426 5.122 1.00 33.43 C ATOM 155 NZ LYS A 10 9.406 7.961 6.131 1.00 23.04 N ATOM 0 H LYS A 10 3.747 8.628 2.678 1.00 53.24 H new ATOM 0 HA LYS A 10 4.991 5.993 2.219 1.00 71.21 H new ATOM 0 HB2 LYS A 10 6.417 7.704 3.237 1.00 1.12 H new ATOM 0 HB3 LYS A 10 5.217 8.031 4.471 1.00 1.12 H new ATOM 0 HG2 LYS A 10 5.487 5.629 5.262 1.00 74.11 H new ATOM 0 HG3 LYS A 10 6.810 5.459 4.126 1.00 74.11 H new ATOM 0 HD2 LYS A 10 6.707 7.513 6.377 1.00 72.40 H new ATOM 0 HD3 LYS A 10 7.568 5.988 6.454 1.00 72.40 H new ATOM 0 HE2 LYS A 10 8.959 6.696 4.492 1.00 33.43 H new ATOM 0 HE3 LYS A 10 8.120 8.235 4.470 1.00 33.43 H new ATOM 0 HZ1 LYS A 10 10.216 8.396 5.645 1.00 23.04 H new ATOM 0 HZ2 LYS A 10 8.929 8.676 6.716 1.00 23.04 H new ATOM 0 HZ3 LYS A 10 9.741 7.185 6.737 1.00 23.04 H new ATOM 169 N GLY A 11 3.573 4.646 3.840 1.00 61.34 N ATOM 170 CA GLY A 11 2.625 3.875 4.635 1.00 43.31 C ATOM 171 C GLY A 11 3.288 2.778 5.457 1.00 31.54 C ATOM 172 O GLY A 11 4.449 2.435 5.230 1.00 53.33 O ATOM 0 H GLY A 11 4.287 4.091 3.368 1.00 61.34 H new ATOM 0 HA2 GLY A 11 2.089 4.548 5.304 1.00 43.31 H new ATOM 0 HA3 GLY A 11 1.884 3.427 3.973 1.00 43.31 H new ATOM 176 N VAL A 12 2.548 2.220 6.412 1.00 61.31 N ATOM 177 CA VAL A 12 3.071 1.146 7.263 1.00 53.02 C ATOM 178 C VAL A 12 2.319 -0.180 7.033 1.00 14.14 C ATOM 179 O VAL A 12 1.088 -0.209 6.949 1.00 14.42 O ATOM 180 CB VAL A 12 3.003 1.535 8.762 1.00 71.54 C ATOM 181 CG1 VAL A 12 1.558 1.726 9.226 1.00 44.23 C ATOM 182 CG2 VAL A 12 3.729 0.501 9.619 1.00 71.43 C ATOM 0 H VAL A 12 1.586 2.491 6.618 1.00 61.31 H new ATOM 0 HA VAL A 12 4.115 1.001 6.984 1.00 53.02 H new ATOM 0 HB VAL A 12 3.510 2.492 8.884 1.00 71.54 H new ATOM 0 HG11 VAL A 12 1.548 1.998 10.281 1.00 44.23 H new ATOM 0 HG12 VAL A 12 1.090 2.519 8.642 1.00 44.23 H new ATOM 0 HG13 VAL A 12 1.005 0.797 9.085 1.00 44.23 H new ATOM 0 HG21 VAL A 12 3.670 0.792 10.668 1.00 71.43 H new ATOM 0 HG22 VAL A 12 3.261 -0.475 9.486 1.00 71.43 H new ATOM 0 HG23 VAL A 12 4.775 0.447 9.316 1.00 71.43 H new ATOM 192 N VAL A 13 3.075 -1.272 6.919 1.00 11.45 N ATOM 193 CA VAL A 13 2.500 -2.602 6.676 1.00 44.53 C ATOM 194 C VAL A 13 1.795 -3.167 7.924 1.00 34.43 C ATOM 195 O VAL A 13 2.394 -3.273 8.994 1.00 43.33 O ATOM 196 CB VAL A 13 3.591 -3.602 6.216 1.00 33.31 C ATOM 197 CG1 VAL A 13 2.988 -4.979 5.934 1.00 61.43 C ATOM 198 CG2 VAL A 13 4.327 -3.068 4.987 1.00 2.11 C ATOM 0 H VAL A 13 4.092 -1.265 6.991 1.00 11.45 H new ATOM 0 HA VAL A 13 1.758 -2.478 5.887 1.00 44.53 H new ATOM 0 HB VAL A 13 4.313 -3.712 7.025 1.00 33.31 H new ATOM 0 HG11 VAL A 13 3.775 -5.662 5.613 1.00 61.43 H new ATOM 0 HG12 VAL A 13 2.521 -5.364 6.840 1.00 61.43 H new ATOM 0 HG13 VAL A 13 2.238 -4.894 5.147 1.00 61.43 H new ATOM 0 HG21 VAL A 13 5.089 -3.784 4.679 1.00 2.11 H new ATOM 0 HG22 VAL A 13 3.617 -2.921 4.173 1.00 2.11 H new ATOM 0 HG23 VAL A 13 4.801 -2.117 5.231 1.00 2.11 H new ATOM 208 N THR A 14 0.523 -3.540 7.768 1.00 44.52 N ATOM 209 CA THR A 14 -0.274 -4.100 8.874 1.00 25.02 C ATOM 210 C THR A 14 -0.159 -5.630 8.944 1.00 45.10 C ATOM 211 O THR A 14 0.070 -6.196 10.012 1.00 1.32 O ATOM 212 CB THR A 14 -1.771 -3.731 8.740 1.00 24.14 C ATOM 213 OG1 THR A 14 -2.319 -4.303 7.543 1.00 72.50 O ATOM 214 CG2 THR A 14 -1.955 -2.218 8.712 1.00 42.31 C ATOM 0 H THR A 14 0.017 -3.466 6.886 1.00 44.52 H new ATOM 0 HA THR A 14 0.132 -3.664 9.787 1.00 25.02 H new ATOM 0 HB THR A 14 -2.297 -4.133 9.606 1.00 24.14 H new ATOM 0 HG1 THR A 14 -1.907 -3.881 6.760 1.00 72.50 H new ATOM 0 HG21 THR A 14 -3.015 -1.982 8.617 1.00 42.31 H new ATOM 0 HG22 THR A 14 -1.568 -1.787 9.636 1.00 42.31 H new ATOM 0 HG23 THR A 14 -1.413 -1.801 7.863 1.00 42.31 H new ATOM 222 N ARG A 15 -0.349 -6.298 7.806 1.00 54.21 N ATOM 223 CA ARG A 15 -0.205 -7.760 7.734 1.00 3.25 C ATOM 224 C ARG A 15 0.178 -8.209 6.315 1.00 63.44 C ATOM 225 O ARG A 15 -0.181 -7.560 5.328 1.00 44.00 O ATOM 226 CB ARG A 15 -1.505 -8.456 8.174 1.00 52.23 C ATOM 227 CG ARG A 15 -2.668 -8.306 7.194 1.00 53.13 C ATOM 228 CD ARG A 15 -3.934 -8.976 7.720 1.00 4.12 C ATOM 229 NE ARG A 15 -4.989 -9.052 6.708 1.00 0.52 N ATOM 230 CZ ARG A 15 -6.231 -8.690 6.906 1.00 30.41 C ATOM 231 NH1 ARG A 15 -6.593 -8.156 8.029 1.00 74.25 N ATOM 232 NH2 ARG A 15 -7.110 -8.858 5.976 1.00 44.10 N ATOM 0 H ARG A 15 -0.602 -5.856 6.922 1.00 54.21 H new ATOM 0 HA ARG A 15 0.596 -8.048 8.414 1.00 3.25 H new ATOM 0 HB2 ARG A 15 -1.303 -9.517 8.318 1.00 52.23 H new ATOM 0 HB3 ARG A 15 -1.808 -8.055 9.141 1.00 52.23 H new ATOM 0 HG2 ARG A 15 -2.862 -7.248 7.017 1.00 53.13 H new ATOM 0 HG3 ARG A 15 -2.395 -8.745 6.234 1.00 53.13 H new ATOM 0 HD2 ARG A 15 -3.693 -9.981 8.065 1.00 4.12 H new ATOM 0 HD3 ARG A 15 -4.302 -8.422 8.584 1.00 4.12 H new ATOM 0 HE ARG A 15 -4.739 -9.411 5.787 1.00 0.52 H new ATOM 0 HH11 ARG A 15 -5.907 -8.014 8.771 1.00 74.25 H new ATOM 0 HH12 ARG A 15 -7.564 -7.878 8.172 1.00 74.25 H new ATOM 0 HH21 ARG A 15 -6.837 -9.273 5.085 1.00 44.10 H new ATOM 0 HH22 ARG A 15 -8.078 -8.575 6.132 1.00 44.10 H new ATOM 246 N ILE A 16 0.901 -9.323 6.220 1.00 65.45 N ATOM 247 CA ILE A 16 1.353 -9.851 4.928 1.00 50.45 C ATOM 248 C ILE A 16 0.397 -10.935 4.402 1.00 22.22 C ATOM 249 O ILE A 16 0.292 -12.018 4.979 1.00 63.30 O ATOM 250 CB ILE A 16 2.786 -10.441 5.029 1.00 73.44 C ATOM 251 CG1 ILE A 16 3.779 -9.376 5.529 1.00 4.53 C ATOM 252 CG2 ILE A 16 3.239 -11.006 3.680 1.00 43.20 C ATOM 253 CD1 ILE A 16 3.919 -8.182 4.605 1.00 21.41 C ATOM 0 H ILE A 16 1.189 -9.881 7.024 1.00 65.45 H new ATOM 0 HA ILE A 16 1.361 -9.013 4.230 1.00 50.45 H new ATOM 0 HB ILE A 16 2.765 -11.257 5.751 1.00 73.44 H new ATOM 0 HG12 ILE A 16 3.458 -9.027 6.511 1.00 4.53 H new ATOM 0 HG13 ILE A 16 4.757 -9.839 5.659 1.00 4.53 H new ATOM 0 HG21 ILE A 16 4.245 -11.414 3.776 1.00 43.20 H new ATOM 0 HG22 ILE A 16 2.556 -11.796 3.368 1.00 43.20 H new ATOM 0 HG23 ILE A 16 3.239 -10.211 2.934 1.00 43.20 H new ATOM 0 HD11 ILE A 16 4.636 -7.477 5.027 1.00 21.41 H new ATOM 0 HD12 ILE A 16 4.271 -8.516 3.629 1.00 21.41 H new ATOM 0 HD13 ILE A 16 2.951 -7.693 4.494 1.00 21.41 H new ATOM 265 N GLU A 17 -0.299 -10.639 3.309 1.00 23.31 N ATOM 266 CA GLU A 17 -1.200 -11.607 2.672 1.00 14.00 C ATOM 267 C GLU A 17 -0.480 -12.361 1.545 1.00 53.24 C ATOM 268 O GLU A 17 0.547 -11.909 1.036 1.00 40.40 O ATOM 269 CB GLU A 17 -2.435 -10.893 2.101 1.00 54.53 C ATOM 270 CG GLU A 17 -3.303 -10.200 3.147 1.00 62.12 C ATOM 271 CD GLU A 17 -3.994 -11.170 4.092 1.00 50.21 C ATOM 272 OE1 GLU A 17 -4.942 -11.856 3.656 1.00 0.11 O ATOM 273 OE2 GLU A 17 -3.594 -11.249 5.269 1.00 11.13 O ATOM 0 H GLU A 17 -0.259 -9.734 2.840 1.00 23.31 H new ATOM 0 HA GLU A 17 -1.515 -12.323 3.431 1.00 14.00 H new ATOM 0 HB2 GLU A 17 -2.107 -10.153 1.371 1.00 54.53 H new ATOM 0 HB3 GLU A 17 -3.045 -11.620 1.565 1.00 54.53 H new ATOM 0 HG2 GLU A 17 -2.684 -9.516 3.728 1.00 62.12 H new ATOM 0 HG3 GLU A 17 -4.057 -9.596 2.642 1.00 62.12 H new ATOM 280 N LYS A 18 -1.032 -13.497 1.136 1.00 35.45 N ATOM 281 CA LYS A 18 -0.434 -14.304 0.061 1.00 63.41 C ATOM 282 C LYS A 18 -0.751 -13.726 -1.333 1.00 45.15 C ATOM 283 O LYS A 18 -0.427 -14.326 -2.361 1.00 30.32 O ATOM 284 CB LYS A 18 -0.917 -15.753 0.172 1.00 43.05 C ATOM 285 CG LYS A 18 -0.558 -16.406 1.505 1.00 53.42 C ATOM 286 CD LYS A 18 -1.080 -17.836 1.604 1.00 52.12 C ATOM 287 CE LYS A 18 -0.745 -18.462 2.954 1.00 14.30 C ATOM 288 NZ LYS A 18 -1.236 -19.860 3.053 1.00 13.21 N ATOM 0 H LYS A 18 -1.890 -13.886 1.527 1.00 35.45 H new ATOM 0 HA LYS A 18 0.649 -14.277 0.179 1.00 63.41 H new ATOM 0 HB2 LYS A 18 -1.999 -15.780 0.041 1.00 43.05 H new ATOM 0 HB3 LYS A 18 -0.483 -16.337 -0.640 1.00 43.05 H new ATOM 0 HG2 LYS A 18 0.525 -16.407 1.627 1.00 53.42 H new ATOM 0 HG3 LYS A 18 -0.971 -15.813 2.321 1.00 53.42 H new ATOM 0 HD2 LYS A 18 -2.160 -17.841 1.458 1.00 52.12 H new ATOM 0 HD3 LYS A 18 -0.647 -18.438 0.805 1.00 52.12 H new ATOM 0 HE2 LYS A 18 0.334 -18.445 3.104 1.00 14.30 H new ATOM 0 HE3 LYS A 18 -1.187 -17.864 3.751 1.00 14.30 H new ATOM 0 HZ1 LYS A 18 -0.989 -20.250 3.985 1.00 13.21 H new ATOM 0 HZ2 LYS A 18 -2.269 -19.874 2.935 1.00 13.21 H new ATOM 0 HZ3 LYS A 18 -0.795 -20.437 2.308 1.00 13.21 H new ATOM 302 N TYR A 19 -1.379 -12.552 -1.351 1.00 24.13 N ATOM 303 CA TYR A 19 -1.715 -11.847 -2.595 1.00 71.21 C ATOM 304 C TYR A 19 -1.371 -10.348 -2.501 1.00 31.11 C ATOM 305 O TYR A 19 -1.763 -9.555 -3.357 1.00 40.23 O ATOM 306 CB TYR A 19 -3.208 -12.034 -2.913 1.00 25.55 C ATOM 307 CG TYR A 19 -4.130 -11.720 -1.742 1.00 33.42 C ATOM 308 CD1 TYR A 19 -4.624 -10.432 -1.530 1.00 15.53 C ATOM 309 CD2 TYR A 19 -4.504 -12.716 -0.842 1.00 43.22 C ATOM 310 CE1 TYR A 19 -5.455 -10.152 -0.460 1.00 22.44 C ATOM 311 CE2 TYR A 19 -5.333 -12.441 0.227 1.00 31.13 C ATOM 312 CZ TYR A 19 -5.806 -11.160 0.413 1.00 72.14 C ATOM 313 OH TYR A 19 -6.633 -10.887 1.483 1.00 53.20 O ATOM 0 H TYR A 19 -1.671 -12.060 -0.507 1.00 24.13 H new ATOM 0 HA TYR A 19 -1.118 -12.274 -3.401 1.00 71.21 H new ATOM 0 HB2 TYR A 19 -3.474 -11.394 -3.754 1.00 25.55 H new ATOM 0 HB3 TYR A 19 -3.376 -13.063 -3.230 1.00 25.55 H new ATOM 0 HD1 TYR A 19 -4.353 -9.640 -2.213 1.00 15.53 H new ATOM 0 HD2 TYR A 19 -4.138 -13.722 -0.984 1.00 43.22 H new ATOM 0 HE1 TYR A 19 -5.827 -9.149 -0.309 1.00 22.44 H new ATOM 0 HE2 TYR A 19 -5.610 -13.226 0.915 1.00 31.13 H new ATOM 0 HH TYR A 19 -6.188 -11.150 2.316 1.00 53.20 H new ATOM 323 N GLY A 20 -0.626 -9.970 -1.461 1.00 14.55 N ATOM 324 CA GLY A 20 -0.268 -8.567 -1.255 1.00 24.31 C ATOM 325 C GLY A 20 -0.106 -8.202 0.218 1.00 22.32 C ATOM 326 O GLY A 20 -0.200 -9.061 1.090 1.00 62.42 O ATOM 0 H GLY A 20 -0.262 -10.609 -0.755 1.00 14.55 H new ATOM 0 HA2 GLY A 20 0.663 -8.355 -1.781 1.00 24.31 H new ATOM 0 HA3 GLY A 20 -1.036 -7.933 -1.698 1.00 24.31 H new ATOM 330 N ALA A 21 0.149 -6.930 0.500 1.00 14.34 N ATOM 331 CA ALA A 21 0.268 -6.453 1.883 1.00 11.01 C ATOM 332 C ALA A 21 -0.654 -5.255 2.144 1.00 33.31 C ATOM 333 O ALA A 21 -0.616 -4.263 1.418 1.00 71.10 O ATOM 334 CB ALA A 21 1.716 -6.087 2.191 1.00 0.25 C ATOM 0 H ALA A 21 0.278 -6.206 -0.207 1.00 14.34 H new ATOM 0 HA ALA A 21 -0.043 -7.261 2.545 1.00 11.01 H new ATOM 0 HB1 ALA A 21 1.791 -5.735 3.220 1.00 0.25 H new ATOM 0 HB2 ALA A 21 2.349 -6.965 2.061 1.00 0.25 H new ATOM 0 HB3 ALA A 21 2.044 -5.299 1.513 1.00 0.25 H new ATOM 340 N PHE A 22 -1.488 -5.349 3.179 1.00 13.21 N ATOM 341 CA PHE A 22 -2.378 -4.240 3.550 1.00 1.41 C ATOM 342 C PHE A 22 -1.616 -3.150 4.316 1.00 1.51 C ATOM 343 O PHE A 22 -1.017 -3.411 5.360 1.00 33.35 O ATOM 344 CB PHE A 22 -3.568 -4.743 4.384 1.00 45.33 C ATOM 345 CG PHE A 22 -4.614 -5.462 3.567 1.00 35.30 C ATOM 346 CD1 PHE A 22 -4.543 -6.833 3.365 1.00 22.03 C ATOM 347 CD2 PHE A 22 -5.664 -4.759 2.996 1.00 70.25 C ATOM 348 CE1 PHE A 22 -5.501 -7.485 2.610 1.00 31.51 C ATOM 349 CE2 PHE A 22 -6.624 -5.406 2.243 1.00 24.43 C ATOM 350 CZ PHE A 22 -6.541 -6.771 2.048 1.00 34.04 C ATOM 0 H PHE A 22 -1.569 -6.173 3.774 1.00 13.21 H new ATOM 0 HA PHE A 22 -2.762 -3.805 2.627 1.00 1.41 H new ATOM 0 HB2 PHE A 22 -3.200 -5.414 5.160 1.00 45.33 H new ATOM 0 HB3 PHE A 22 -4.032 -3.896 4.889 1.00 45.33 H new ATOM 0 HD1 PHE A 22 -3.732 -7.396 3.802 1.00 22.03 H new ATOM 0 HD2 PHE A 22 -5.732 -3.691 3.142 1.00 70.25 H new ATOM 0 HE1 PHE A 22 -5.436 -8.553 2.460 1.00 31.51 H new ATOM 0 HE2 PHE A 22 -7.438 -4.846 1.807 1.00 24.43 H new ATOM 0 HZ PHE A 22 -7.288 -7.279 1.457 1.00 34.04 H new ATOM 360 N ILE A 23 -1.656 -1.928 3.798 1.00 31.01 N ATOM 361 CA ILE A 23 -0.893 -0.811 4.366 1.00 65.13 C ATOM 362 C ILE A 23 -1.804 0.356 4.789 1.00 64.05 C ATOM 363 O ILE A 23 -2.731 0.726 4.065 1.00 51.25 O ATOM 364 CB ILE A 23 0.157 -0.301 3.342 1.00 32.22 C ATOM 365 CG1 ILE A 23 1.225 -1.381 3.088 1.00 34.42 C ATOM 366 CG2 ILE A 23 0.800 1.005 3.807 1.00 62.23 C ATOM 367 CD1 ILE A 23 2.298 -0.967 2.102 1.00 40.42 C ATOM 0 H ILE A 23 -2.212 -1.679 2.980 1.00 31.01 H new ATOM 0 HA ILE A 23 -0.390 -1.186 5.257 1.00 65.13 H new ATOM 0 HB ILE A 23 -0.358 -0.095 2.403 1.00 32.22 H new ATOM 0 HG12 ILE A 23 1.697 -1.640 4.036 1.00 34.42 H new ATOM 0 HG13 ILE A 23 0.735 -2.282 2.719 1.00 34.42 H new ATOM 0 HG21 ILE A 23 1.530 1.335 3.068 1.00 62.23 H new ATOM 0 HG22 ILE A 23 0.031 1.768 3.923 1.00 62.23 H new ATOM 0 HG23 ILE A 23 1.299 0.845 4.763 1.00 62.23 H new ATOM 0 HD11 ILE A 23 3.012 -1.781 1.978 1.00 40.42 H new ATOM 0 HD12 ILE A 23 1.839 -0.736 1.141 1.00 40.42 H new ATOM 0 HD13 ILE A 23 2.816 -0.085 2.478 1.00 40.42 H new ATOM 379 N ASN A 24 -1.536 0.926 5.968 1.00 74.44 N ATOM 380 CA ASN A 24 -2.267 2.112 6.443 1.00 22.24 C ATOM 381 C ASN A 24 -1.517 3.403 6.080 1.00 75.04 C ATOM 382 O ASN A 24 -0.310 3.518 6.308 1.00 75.52 O ATOM 383 CB ASN A 24 -2.467 2.070 7.967 1.00 51.22 C ATOM 384 CG ASN A 24 -3.339 0.919 8.433 1.00 50.15 C ATOM 385 OD1 ASN A 24 -4.180 0.414 7.700 1.00 2.44 O ATOM 386 ND2 ASN A 24 -3.162 0.512 9.674 1.00 24.02 N ATOM 0 H ASN A 24 -0.821 0.589 6.612 1.00 74.44 H new ATOM 0 HA ASN A 24 -3.240 2.104 5.951 1.00 22.24 H new ATOM 0 HB2 ASN A 24 -1.493 1.996 8.451 1.00 51.22 H new ATOM 0 HB3 ASN A 24 -2.915 3.009 8.292 1.00 51.22 H new ATOM 0 HD21 ASN A 24 -3.734 -0.244 10.049 1.00 24.02 H new ATOM 0 HD22 ASN A 24 -2.453 0.953 10.259 1.00 24.02 H new ATOM 393 N LEU A 25 -2.238 4.366 5.511 1.00 53.34 N ATOM 394 CA LEU A 25 -1.682 5.703 5.243 1.00 22.41 C ATOM 395 C LEU A 25 -2.141 6.709 6.307 1.00 54.32 C ATOM 396 O LEU A 25 -1.399 7.614 6.696 1.00 2.31 O ATOM 397 CB LEU A 25 -2.115 6.210 3.859 1.00 53.22 C ATOM 398 CG LEU A 25 -1.647 5.376 2.657 1.00 10.31 C ATOM 399 CD1 LEU A 25 -2.090 6.035 1.352 1.00 42.44 C ATOM 400 CD2 LEU A 25 -0.130 5.185 2.680 1.00 14.23 C ATOM 0 H LEU A 25 -3.210 4.252 5.224 1.00 53.34 H new ATOM 0 HA LEU A 25 -0.596 5.615 5.272 1.00 22.41 H new ATOM 0 HB2 LEU A 25 -3.204 6.262 3.838 1.00 53.22 H new ATOM 0 HB3 LEU A 25 -1.745 7.228 3.735 1.00 53.22 H new ATOM 0 HG LEU A 25 -2.108 4.390 2.723 1.00 10.31 H new ATOM 0 HD11 LEU A 25 -1.752 5.434 0.508 1.00 42.44 H new ATOM 0 HD12 LEU A 25 -3.177 6.109 1.333 1.00 42.44 H new ATOM 0 HD13 LEU A 25 -1.657 7.033 1.283 1.00 42.44 H new ATOM 0 HD21 LEU A 25 0.175 4.591 1.818 1.00 14.23 H new ATOM 0 HD22 LEU A 25 0.360 6.158 2.642 1.00 14.23 H new ATOM 0 HD23 LEU A 25 0.158 4.669 3.596 1.00 14.23 H new ATOM 412 N ASN A 26 -3.376 6.539 6.766 1.00 51.22 N ATOM 413 CA ASN A 26 -3.996 7.468 7.713 1.00 22.43 C ATOM 414 C ASN A 26 -5.008 6.732 8.612 1.00 60.44 C ATOM 415 O ASN A 26 -5.385 5.596 8.330 1.00 61.30 O ATOM 416 CB ASN A 26 -4.679 8.610 6.933 1.00 51.10 C ATOM 417 CG ASN A 26 -5.330 9.651 7.828 1.00 32.34 C ATOM 418 OD1 ASN A 26 -4.868 9.916 8.930 1.00 12.34 O ATOM 419 ND2 ASN A 26 -6.403 10.252 7.359 1.00 23.12 N ATOM 0 H ASN A 26 -3.975 5.759 6.496 1.00 51.22 H new ATOM 0 HA ASN A 26 -3.227 7.891 8.360 1.00 22.43 H new ATOM 0 HB2 ASN A 26 -3.940 9.099 6.299 1.00 51.10 H new ATOM 0 HB3 ASN A 26 -5.435 8.186 6.272 1.00 51.10 H new ATOM 0 HD21 ASN A 26 -6.875 10.962 7.918 1.00 23.12 H new ATOM 0 HD22 ASN A 26 -6.762 10.008 6.436 1.00 23.12 H new ATOM 426 N GLU A 27 -5.443 7.402 9.681 1.00 22.23 N ATOM 427 CA GLU A 27 -6.397 6.856 10.661 1.00 24.21 C ATOM 428 C GLU A 27 -7.546 6.045 10.020 1.00 14.13 C ATOM 429 O GLU A 27 -7.852 4.939 10.467 1.00 20.14 O ATOM 430 CB GLU A 27 -6.962 8.019 11.488 1.00 75.11 C ATOM 431 CG GLU A 27 -7.993 7.617 12.538 1.00 23.20 C ATOM 432 CD GLU A 27 -8.452 8.800 13.378 1.00 33.21 C ATOM 433 OE1 GLU A 27 -9.115 9.706 12.829 1.00 63.44 O ATOM 434 OE2 GLU A 27 -8.121 8.849 14.582 1.00 30.51 O ATOM 0 H GLU A 27 -5.141 8.352 9.897 1.00 22.23 H new ATOM 0 HA GLU A 27 -5.856 6.152 11.293 1.00 24.21 H new ATOM 0 HB2 GLU A 27 -6.136 8.527 11.986 1.00 75.11 H new ATOM 0 HB3 GLU A 27 -7.417 8.741 10.810 1.00 75.11 H new ATOM 0 HG2 GLU A 27 -8.855 7.168 12.045 1.00 23.20 H new ATOM 0 HG3 GLU A 27 -7.566 6.855 13.190 1.00 23.20 H new ATOM 441 N GLN A 28 -8.194 6.597 8.991 1.00 71.24 N ATOM 442 CA GLN A 28 -9.294 5.894 8.301 1.00 14.11 C ATOM 443 C GLN A 28 -8.933 5.528 6.846 1.00 23.22 C ATOM 444 O GLN A 28 -9.815 5.246 6.033 1.00 14.43 O ATOM 445 CB GLN A 28 -10.565 6.761 8.319 1.00 62.10 C ATOM 446 CG GLN A 28 -11.127 7.026 9.715 1.00 55.11 C ATOM 447 CD GLN A 28 -11.560 5.755 10.430 1.00 43.04 C ATOM 448 OE1 GLN A 28 -12.701 5.317 10.311 1.00 11.43 O ATOM 449 NE2 GLN A 28 -10.661 5.155 11.184 1.00 31.24 N ATOM 0 H GLN A 28 -7.983 7.521 8.615 1.00 71.24 H new ATOM 0 HA GLN A 28 -9.471 4.963 8.839 1.00 14.11 H new ATOM 0 HB2 GLN A 28 -10.346 7.716 7.841 1.00 62.10 H new ATOM 0 HB3 GLN A 28 -11.332 6.273 7.718 1.00 62.10 H new ATOM 0 HG2 GLN A 28 -10.372 7.535 10.314 1.00 55.11 H new ATOM 0 HG3 GLN A 28 -11.979 7.701 9.636 1.00 55.11 H new ATOM 0 HE21 GLN A 28 -9.721 5.543 11.263 1.00 31.24 H new ATOM 0 HE22 GLN A 28 -10.905 4.303 11.688 1.00 31.24 H new ATOM 458 N VAL A 29 -7.639 5.503 6.525 1.00 0.52 N ATOM 459 CA VAL A 29 -7.186 5.230 5.150 1.00 61.25 C ATOM 460 C VAL A 29 -6.239 4.016 5.081 1.00 72.34 C ATOM 461 O VAL A 29 -5.101 4.071 5.559 1.00 30.42 O ATOM 462 CB VAL A 29 -6.468 6.462 4.538 1.00 14.23 C ATOM 463 CG1 VAL A 29 -5.973 6.159 3.122 1.00 71.32 C ATOM 464 CG2 VAL A 29 -7.385 7.688 4.546 1.00 35.35 C ATOM 0 H VAL A 29 -6.885 5.667 7.192 1.00 0.52 H new ATOM 0 HA VAL A 29 -8.084 5.007 4.574 1.00 61.25 H new ATOM 0 HB VAL A 29 -5.599 6.687 5.157 1.00 14.23 H new ATOM 0 HG11 VAL A 29 -5.473 7.038 2.715 1.00 71.32 H new ATOM 0 HG12 VAL A 29 -5.272 5.325 3.152 1.00 71.32 H new ATOM 0 HG13 VAL A 29 -6.821 5.898 2.488 1.00 71.32 H new ATOM 0 HG21 VAL A 29 -6.859 8.539 4.112 1.00 35.35 H new ATOM 0 HG22 VAL A 29 -8.280 7.477 3.960 1.00 35.35 H new ATOM 0 HG23 VAL A 29 -7.670 7.922 5.572 1.00 35.35 H new ATOM 474 N ARG A 30 -6.714 2.933 4.464 1.00 23.32 N ATOM 475 CA ARG A 30 -5.910 1.718 4.269 1.00 43.01 C ATOM 476 C ARG A 30 -6.075 1.173 2.839 1.00 30.14 C ATOM 477 O ARG A 30 -7.120 1.351 2.215 1.00 23.35 O ATOM 478 CB ARG A 30 -6.318 0.643 5.292 1.00 51.35 C ATOM 479 CG ARG A 30 -5.634 -0.710 5.080 1.00 63.00 C ATOM 480 CD ARG A 30 -6.001 -1.722 6.162 1.00 23.35 C ATOM 481 NE ARG A 30 -7.449 -1.872 6.316 1.00 64.41 N ATOM 482 CZ ARG A 30 -8.100 -2.995 6.167 1.00 65.23 C ATOM 483 NH1 ARG A 30 -7.486 -4.071 5.784 1.00 11.21 N ATOM 484 NH2 ARG A 30 -9.373 -3.029 6.388 1.00 51.31 N ATOM 0 H ARG A 30 -7.659 2.870 4.087 1.00 23.32 H new ATOM 0 HA ARG A 30 -4.862 1.976 4.419 1.00 43.01 H new ATOM 0 HB2 ARG A 30 -6.085 1.003 6.294 1.00 51.35 H new ATOM 0 HB3 ARG A 30 -7.398 0.504 5.246 1.00 51.35 H new ATOM 0 HG2 ARG A 30 -5.914 -1.107 4.104 1.00 63.00 H new ATOM 0 HG3 ARG A 30 -4.553 -0.570 5.068 1.00 63.00 H new ATOM 0 HD2 ARG A 30 -5.562 -2.689 5.916 1.00 23.35 H new ATOM 0 HD3 ARG A 30 -5.568 -1.408 7.112 1.00 23.35 H new ATOM 0 HE ARG A 30 -7.988 -1.040 6.557 1.00 64.41 H new ATOM 0 HH11 ARG A 30 -6.484 -4.047 5.595 1.00 11.21 H new ATOM 0 HH12 ARG A 30 -8.005 -4.942 5.671 1.00 11.21 H new ATOM 0 HH21 ARG A 30 -9.863 -2.182 6.677 1.00 51.31 H new ATOM 0 HH22 ARG A 30 -9.887 -3.902 6.274 1.00 51.31 H new ATOM 498 N GLY A 31 -5.040 0.509 2.324 1.00 60.24 N ATOM 499 CA GLY A 31 -5.111 -0.077 0.986 1.00 11.01 C ATOM 500 C GLY A 31 -4.295 -1.360 0.846 1.00 14.04 C ATOM 501 O GLY A 31 -3.777 -1.886 1.833 1.00 55.02 O ATOM 0 H GLY A 31 -4.153 0.365 2.806 1.00 60.24 H new ATOM 0 HA2 GLY A 31 -6.153 -0.289 0.744 1.00 11.01 H new ATOM 0 HA3 GLY A 31 -4.756 0.652 0.258 1.00 11.01 H new ATOM 505 N LEU A 32 -4.169 -1.853 -0.385 1.00 13.51 N ATOM 506 CA LEU A 32 -3.455 -3.106 -0.659 1.00 22.13 C ATOM 507 C LEU A 32 -2.261 -2.885 -1.609 1.00 25.30 C ATOM 508 O LEU A 32 -2.385 -2.238 -2.653 1.00 45.21 O ATOM 509 CB LEU A 32 -4.423 -4.137 -1.266 1.00 14.52 C ATOM 510 CG LEU A 32 -3.815 -5.522 -1.559 1.00 30.23 C ATOM 511 CD1 LEU A 32 -3.325 -6.185 -0.274 1.00 25.13 C ATOM 512 CD2 LEU A 32 -4.825 -6.414 -2.277 1.00 51.23 C ATOM 0 H LEU A 32 -4.554 -1.403 -1.216 1.00 13.51 H new ATOM 0 HA LEU A 32 -3.064 -3.481 0.287 1.00 22.13 H new ATOM 0 HB2 LEU A 32 -5.264 -4.265 -0.585 1.00 14.52 H new ATOM 0 HB3 LEU A 32 -4.824 -3.731 -2.195 1.00 14.52 H new ATOM 0 HG LEU A 32 -2.956 -5.382 -2.215 1.00 30.23 H new ATOM 0 HD11 LEU A 32 -2.900 -7.161 -0.507 1.00 25.13 H new ATOM 0 HD12 LEU A 32 -2.563 -5.559 0.191 1.00 25.13 H new ATOM 0 HD13 LEU A 32 -4.162 -6.308 0.414 1.00 25.13 H new ATOM 0 HD21 LEU A 32 -4.375 -7.387 -2.474 1.00 51.23 H new ATOM 0 HD22 LEU A 32 -5.707 -6.542 -1.650 1.00 51.23 H new ATOM 0 HD23 LEU A 32 -5.114 -5.950 -3.220 1.00 51.23 H new ATOM 524 N LEU A 33 -1.108 -3.422 -1.228 1.00 55.21 N ATOM 525 CA LEU A 33 0.102 -3.371 -2.055 1.00 21.44 C ATOM 526 C LEU A 33 0.373 -4.743 -2.699 1.00 42.10 C ATOM 527 O LEU A 33 0.656 -5.719 -2.004 1.00 62.55 O ATOM 528 CB LEU A 33 1.294 -2.934 -1.188 1.00 73.23 C ATOM 529 CG LEU A 33 2.657 -2.855 -1.897 1.00 14.34 C ATOM 530 CD1 LEU A 33 2.599 -1.894 -3.083 1.00 13.41 C ATOM 531 CD2 LEU A 33 3.746 -2.431 -0.911 1.00 44.23 C ATOM 0 H LEU A 33 -0.981 -3.906 -0.339 1.00 55.21 H new ATOM 0 HA LEU A 33 -0.041 -2.646 -2.857 1.00 21.44 H new ATOM 0 HB2 LEU A 33 1.070 -1.954 -0.766 1.00 73.23 H new ATOM 0 HB3 LEU A 33 1.382 -3.628 -0.352 1.00 73.23 H new ATOM 0 HG LEU A 33 2.902 -3.846 -2.279 1.00 14.34 H new ATOM 0 HD11 LEU A 33 3.574 -1.855 -3.568 1.00 13.41 H new ATOM 0 HD12 LEU A 33 1.852 -2.242 -3.797 1.00 13.41 H new ATOM 0 HD13 LEU A 33 2.329 -0.898 -2.732 1.00 13.41 H new ATOM 0 HD21 LEU A 33 4.704 -2.380 -1.427 1.00 44.23 H new ATOM 0 HD22 LEU A 33 3.503 -1.452 -0.499 1.00 44.23 H new ATOM 0 HD23 LEU A 33 3.808 -3.159 -0.102 1.00 44.23 H new ATOM 543 N ARG A 34 0.275 -4.813 -4.027 1.00 53.24 N ATOM 544 CA ARG A 34 0.411 -6.084 -4.757 1.00 32.24 C ATOM 545 C ARG A 34 1.853 -6.313 -5.273 1.00 41.41 C ATOM 546 O ARG A 34 2.563 -5.367 -5.611 1.00 33.22 O ATOM 547 CB ARG A 34 -0.609 -6.122 -5.907 1.00 42.11 C ATOM 548 CG ARG A 34 -2.058 -6.268 -5.432 1.00 62.32 C ATOM 549 CD ARG A 34 -3.071 -6.060 -6.560 1.00 45.03 C ATOM 550 NE ARG A 34 -3.299 -4.642 -6.846 1.00 42.13 N ATOM 551 CZ ARG A 34 -2.738 -3.984 -7.822 1.00 3.22 C ATOM 552 NH1 ARG A 34 -1.912 -4.566 -8.624 1.00 74.41 N ATOM 553 NH2 ARG A 34 -3.015 -2.736 -7.994 1.00 20.44 N ATOM 0 H ARG A 34 0.102 -4.005 -4.625 1.00 53.24 H new ATOM 0 HA ARG A 34 0.204 -6.901 -4.065 1.00 32.24 H new ATOM 0 HB2 ARG A 34 -0.517 -5.208 -6.494 1.00 42.11 H new ATOM 0 HB3 ARG A 34 -0.367 -6.952 -6.570 1.00 42.11 H new ATOM 0 HG2 ARG A 34 -2.197 -7.260 -5.002 1.00 62.32 H new ATOM 0 HG3 ARG A 34 -2.251 -5.546 -4.638 1.00 62.32 H new ATOM 0 HD2 ARG A 34 -2.715 -6.558 -7.462 1.00 45.03 H new ATOM 0 HD3 ARG A 34 -4.016 -6.530 -6.288 1.00 45.03 H new ATOM 0 HE ARG A 34 -3.942 -4.133 -6.239 1.00 42.13 H new ATOM 0 HH11 ARG A 34 -1.690 -5.554 -8.499 1.00 74.41 H new ATOM 0 HH12 ARG A 34 -1.481 -4.038 -9.383 1.00 74.41 H new ATOM 0 HH21 ARG A 34 -3.670 -2.268 -7.368 1.00 20.44 H new ATOM 0 HH22 ARG A 34 -2.579 -2.217 -8.756 1.00 20.44 H new ATOM 567 N PRO A 35 2.293 -7.593 -5.355 1.00 30.11 N ATOM 568 CA PRO A 35 3.705 -7.946 -5.636 1.00 55.44 C ATOM 569 C PRO A 35 4.213 -7.537 -7.031 1.00 34.23 C ATOM 570 O PRO A 35 5.381 -7.180 -7.187 1.00 14.11 O ATOM 571 CB PRO A 35 3.733 -9.475 -5.481 1.00 42.15 C ATOM 572 CG PRO A 35 2.321 -9.915 -5.678 1.00 11.44 C ATOM 573 CD PRO A 35 1.453 -8.793 -5.174 1.00 62.14 C ATOM 0 HA PRO A 35 4.369 -7.407 -4.960 1.00 55.44 H new ATOM 0 HB2 PRO A 35 4.394 -9.933 -6.216 1.00 42.15 H new ATOM 0 HB3 PRO A 35 4.102 -9.764 -4.497 1.00 42.15 H new ATOM 0 HG2 PRO A 35 2.121 -10.119 -6.730 1.00 11.44 H new ATOM 0 HG3 PRO A 35 2.121 -10.837 -5.131 1.00 11.44 H new ATOM 0 HD2 PRO A 35 0.524 -8.720 -5.739 1.00 62.14 H new ATOM 0 HD3 PRO A 35 1.180 -8.937 -4.129 1.00 62.14 H new ATOM 581 N ARG A 36 3.352 -7.597 -8.046 1.00 13.33 N ATOM 582 CA ARG A 36 3.763 -7.231 -9.411 1.00 11.44 C ATOM 583 C ARG A 36 3.910 -5.711 -9.563 1.00 1.24 C ATOM 584 O ARG A 36 4.507 -5.222 -10.524 1.00 52.40 O ATOM 585 CB ARG A 36 2.776 -7.785 -10.448 1.00 41.24 C ATOM 586 CG ARG A 36 2.754 -9.308 -10.515 1.00 23.25 C ATOM 587 CD ARG A 36 1.941 -9.815 -11.699 1.00 10.41 C ATOM 588 NE ARG A 36 1.952 -11.276 -11.779 1.00 74.51 N ATOM 589 CZ ARG A 36 2.137 -11.957 -12.880 1.00 22.20 C ATOM 590 NH1 ARG A 36 2.340 -11.350 -14.007 1.00 22.31 N ATOM 591 NH2 ARG A 36 2.130 -13.251 -12.842 1.00 3.15 N ATOM 0 H ARG A 36 2.379 -7.890 -7.958 1.00 13.33 H new ATOM 0 HA ARG A 36 4.739 -7.681 -9.592 1.00 11.44 H new ATOM 0 HB2 ARG A 36 1.774 -7.425 -10.213 1.00 41.24 H new ATOM 0 HB3 ARG A 36 3.034 -7.390 -11.431 1.00 41.24 H new ATOM 0 HG2 ARG A 36 3.775 -9.682 -10.589 1.00 23.25 H new ATOM 0 HG3 ARG A 36 2.335 -9.706 -9.591 1.00 23.25 H new ATOM 0 HD2 ARG A 36 0.913 -9.463 -11.611 1.00 10.41 H new ATOM 0 HD3 ARG A 36 2.343 -9.397 -12.622 1.00 10.41 H new ATOM 0 HE ARG A 36 1.805 -11.800 -10.916 1.00 74.51 H new ATOM 0 HH11 ARG A 36 2.357 -10.331 -14.042 1.00 22.31 H new ATOM 0 HH12 ARG A 36 2.483 -11.892 -14.859 1.00 22.31 H new ATOM 0 HH21 ARG A 36 1.981 -13.734 -11.956 1.00 3.15 H new ATOM 0 HH22 ARG A 36 2.274 -13.787 -13.698 1.00 3.15 H new ATOM 605 N ASP A 37 3.368 -4.975 -8.601 1.00 34.42 N ATOM 606 CA ASP A 37 3.487 -3.517 -8.560 1.00 23.31 C ATOM 607 C ASP A 37 4.725 -3.102 -7.742 1.00 34.21 C ATOM 608 O ASP A 37 5.006 -1.915 -7.562 1.00 54.14 O ATOM 609 CB ASP A 37 2.213 -2.930 -7.946 1.00 1.45 C ATOM 610 CG ASP A 37 0.963 -3.495 -8.600 1.00 0.33 C ATOM 611 OD1 ASP A 37 0.698 -4.705 -8.427 1.00 61.45 O ATOM 612 OD2 ASP A 37 0.251 -2.746 -9.304 1.00 74.44 O ATOM 0 H ASP A 37 2.833 -5.368 -7.826 1.00 34.42 H new ATOM 0 HA ASP A 37 3.610 -3.132 -9.572 1.00 23.31 H new ATOM 0 HB2 ASP A 37 2.193 -3.143 -6.877 1.00 1.45 H new ATOM 0 HB3 ASP A 37 2.223 -1.846 -8.055 1.00 1.45 H new ATOM 617 N MET A 38 5.462 -4.105 -7.260 1.00 34.51 N ATOM 618 CA MET A 38 6.661 -3.889 -6.444 1.00 23.23 C ATOM 619 C MET A 38 7.942 -4.005 -7.286 1.00 53.24 C ATOM 620 O MET A 38 8.056 -4.878 -8.148 1.00 53.11 O ATOM 621 CB MET A 38 6.697 -4.910 -5.301 1.00 24.43 C ATOM 622 CG MET A 38 5.526 -4.786 -4.341 1.00 72.41 C ATOM 623 SD MET A 38 5.567 -3.254 -3.399 1.00 61.13 S ATOM 624 CE MET A 38 6.972 -3.547 -2.327 1.00 11.22 C ATOM 0 H MET A 38 5.246 -5.088 -7.423 1.00 34.51 H new ATOM 0 HA MET A 38 6.617 -2.879 -6.036 1.00 23.23 H new ATOM 0 HB2 MET A 38 6.706 -5.915 -5.722 1.00 24.43 H new ATOM 0 HB3 MET A 38 7.627 -4.789 -4.745 1.00 24.43 H new ATOM 0 HG2 MET A 38 4.593 -4.839 -4.902 1.00 72.41 H new ATOM 0 HG3 MET A 38 5.533 -5.632 -3.654 1.00 72.41 H new ATOM 0 HE1 MET A 38 6.967 -2.821 -1.514 1.00 11.22 H new ATOM 0 HE2 MET A 38 6.911 -4.554 -1.915 1.00 11.22 H new ATOM 0 HE3 MET A 38 7.894 -3.444 -2.899 1.00 11.22 H new ATOM 634 N ILE A 39 8.904 -3.117 -7.032 1.00 55.44 N ATOM 635 CA ILE A 39 10.178 -3.123 -7.768 1.00 24.01 C ATOM 636 C ILE A 39 11.301 -3.811 -6.963 1.00 12.15 C ATOM 637 O ILE A 39 11.619 -4.977 -7.192 1.00 75.15 O ATOM 638 CB ILE A 39 10.620 -1.677 -8.140 1.00 25.42 C ATOM 639 CG1 ILE A 39 9.490 -0.936 -8.879 1.00 63.12 C ATOM 640 CG2 ILE A 39 11.895 -1.694 -8.986 1.00 75.20 C ATOM 641 CD1 ILE A 39 9.040 -1.605 -10.164 1.00 22.13 C ATOM 0 H ILE A 39 8.830 -2.385 -6.325 1.00 55.44 H new ATOM 0 HA ILE A 39 10.008 -3.692 -8.682 1.00 24.01 H new ATOM 0 HB ILE A 39 10.835 -1.142 -7.215 1.00 25.42 H new ATOM 0 HG12 ILE A 39 8.633 -0.846 -8.211 1.00 63.12 H new ATOM 0 HG13 ILE A 39 9.824 0.076 -9.108 1.00 63.12 H new ATOM 0 HG21 ILE A 39 12.182 -0.672 -9.232 1.00 75.20 H new ATOM 0 HG22 ILE A 39 12.698 -2.171 -8.424 1.00 75.20 H new ATOM 0 HG23 ILE A 39 11.714 -2.251 -9.905 1.00 75.20 H new ATOM 0 HD11 ILE A 39 8.243 -1.018 -10.620 1.00 22.13 H new ATOM 0 HD12 ILE A 39 9.881 -1.671 -10.854 1.00 22.13 H new ATOM 0 HD13 ILE A 39 8.672 -2.607 -9.943 1.00 22.13 H new ATOM 653 N SER A 40 11.886 -3.086 -6.006 1.00 30.51 N ATOM 654 CA SER A 40 13.034 -3.594 -5.230 1.00 23.14 C ATOM 655 C SER A 40 12.608 -4.496 -4.059 1.00 22.14 C ATOM 656 O SER A 40 13.350 -5.395 -3.659 1.00 72.20 O ATOM 657 CB SER A 40 13.876 -2.424 -4.695 1.00 71.14 C ATOM 658 OG SER A 40 14.361 -1.608 -5.753 1.00 51.22 O ATOM 0 H SER A 40 11.588 -2.146 -5.746 1.00 30.51 H new ATOM 0 HA SER A 40 13.628 -4.201 -5.913 1.00 23.14 H new ATOM 0 HB2 SER A 40 13.274 -1.821 -4.015 1.00 71.14 H new ATOM 0 HB3 SER A 40 14.716 -2.812 -4.118 1.00 71.14 H new ATOM 0 HG SER A 40 14.891 -0.872 -5.382 1.00 51.22 H new ATOM 664 N LEU A 41 11.419 -4.254 -3.507 1.00 52.05 N ATOM 665 CA LEU A 41 10.930 -5.014 -2.345 1.00 23.13 C ATOM 666 C LEU A 41 9.893 -6.081 -2.740 1.00 65.13 C ATOM 667 O LEU A 41 8.960 -5.806 -3.488 1.00 5.45 O ATOM 668 CB LEU A 41 10.322 -4.062 -1.304 1.00 34.30 C ATOM 669 CG LEU A 41 11.330 -3.191 -0.536 1.00 52.43 C ATOM 670 CD1 LEU A 41 10.610 -2.238 0.416 1.00 62.41 C ATOM 671 CD2 LEU A 41 12.323 -4.064 0.230 1.00 51.22 C ATOM 0 H LEU A 41 10.773 -3.539 -3.842 1.00 52.05 H new ATOM 0 HA LEU A 41 11.789 -5.530 -1.916 1.00 23.13 H new ATOM 0 HB2 LEU A 41 9.611 -3.407 -1.808 1.00 34.30 H new ATOM 0 HB3 LEU A 41 9.756 -4.653 -0.584 1.00 34.30 H new ATOM 0 HG LEU A 41 11.884 -2.595 -1.261 1.00 52.43 H new ATOM 0 HD11 LEU A 41 11.344 -1.632 0.948 1.00 62.41 H new ATOM 0 HD12 LEU A 41 9.947 -1.587 -0.154 1.00 62.41 H new ATOM 0 HD13 LEU A 41 10.025 -2.814 1.134 1.00 62.41 H new ATOM 0 HD21 LEU A 41 13.028 -3.429 0.767 1.00 51.22 H new ATOM 0 HD22 LEU A 41 11.784 -4.690 0.941 1.00 51.22 H new ATOM 0 HD23 LEU A 41 12.867 -4.697 -0.471 1.00 51.22 H new ATOM 683 N ARG A 42 10.070 -7.300 -2.230 1.00 72.42 N ATOM 684 CA ARG A 42 9.110 -8.394 -2.445 1.00 22.01 C ATOM 685 C ARG A 42 8.280 -8.645 -1.177 1.00 2.52 C ATOM 686 O ARG A 42 8.776 -8.456 -0.069 1.00 14.32 O ATOM 687 CB ARG A 42 9.859 -9.681 -2.833 1.00 54.50 C ATOM 688 CG ARG A 42 10.740 -9.532 -4.069 1.00 23.41 C ATOM 689 CD ARG A 42 9.918 -9.218 -5.314 1.00 33.43 C ATOM 690 NE ARG A 42 9.211 -10.391 -5.837 1.00 72.50 N ATOM 691 CZ ARG A 42 9.013 -10.618 -7.111 1.00 51.14 C ATOM 692 NH1 ARG A 42 9.514 -9.829 -8.012 1.00 21.31 N ATOM 693 NH2 ARG A 42 8.324 -11.647 -7.483 1.00 50.40 N ATOM 0 H ARG A 42 10.875 -7.560 -1.660 1.00 72.42 H new ATOM 0 HA ARG A 42 8.437 -8.106 -3.253 1.00 22.01 H new ATOM 0 HB2 ARG A 42 10.478 -9.997 -1.993 1.00 54.50 H new ATOM 0 HB3 ARG A 42 9.132 -10.474 -3.010 1.00 54.50 H new ATOM 0 HG2 ARG A 42 11.467 -8.737 -3.903 1.00 23.41 H new ATOM 0 HG3 ARG A 42 11.303 -10.452 -4.227 1.00 23.41 H new ATOM 0 HD2 ARG A 42 9.194 -8.438 -5.079 1.00 33.43 H new ATOM 0 HD3 ARG A 42 10.575 -8.821 -6.087 1.00 33.43 H new ATOM 0 HE ARG A 42 8.852 -11.072 -5.168 1.00 72.50 H new ATOM 0 HH11 ARG A 42 10.069 -9.021 -7.731 1.00 21.31 H new ATOM 0 HH12 ARG A 42 9.352 -10.017 -9.001 1.00 21.31 H new ATOM 0 HH21 ARG A 42 7.936 -12.280 -6.784 1.00 50.40 H new ATOM 0 HH22 ARG A 42 8.169 -11.825 -8.475 1.00 50.40 H new ATOM 707 N LEU A 43 7.024 -9.085 -1.340 1.00 1.04 N ATOM 708 CA LEU A 43 6.163 -9.429 -0.186 1.00 14.14 C ATOM 709 C LEU A 43 6.896 -10.368 0.781 1.00 23.23 C ATOM 710 O LEU A 43 6.768 -10.266 2.002 1.00 12.22 O ATOM 711 CB LEU A 43 4.878 -10.126 -0.653 1.00 41.33 C ATOM 712 CG LEU A 43 4.038 -9.378 -1.699 1.00 43.02 C ATOM 713 CD1 LEU A 43 2.800 -10.197 -2.057 1.00 54.22 C ATOM 714 CD2 LEU A 43 3.641 -7.987 -1.202 1.00 1.20 C ATOM 0 H LEU A 43 6.579 -9.212 -2.249 1.00 1.04 H new ATOM 0 HA LEU A 43 5.915 -8.497 0.321 1.00 14.14 H new ATOM 0 HB2 LEU A 43 5.147 -11.099 -1.063 1.00 41.33 H new ATOM 0 HB3 LEU A 43 4.252 -10.310 0.220 1.00 41.33 H new ATOM 0 HG LEU A 43 4.645 -9.246 -2.594 1.00 43.02 H new ATOM 0 HD11 LEU A 43 2.210 -9.659 -2.799 1.00 54.22 H new ATOM 0 HD12 LEU A 43 3.106 -11.160 -2.465 1.00 54.22 H new ATOM 0 HD13 LEU A 43 2.198 -10.357 -1.162 1.00 54.22 H new ATOM 0 HD21 LEU A 43 3.047 -7.484 -1.965 1.00 1.20 H new ATOM 0 HD22 LEU A 43 3.053 -8.081 -0.289 1.00 1.20 H new ATOM 0 HD23 LEU A 43 4.539 -7.404 -0.997 1.00 1.20 H new ATOM 726 N GLU A 44 7.684 -11.263 0.197 1.00 64.30 N ATOM 727 CA GLU A 44 8.408 -12.304 0.931 1.00 42.31 C ATOM 728 C GLU A 44 9.401 -11.711 1.947 1.00 24.15 C ATOM 729 O GLU A 44 9.835 -12.388 2.880 1.00 33.02 O ATOM 730 CB GLU A 44 9.163 -13.176 -0.082 1.00 52.25 C ATOM 731 CG GLU A 44 8.294 -13.625 -1.257 1.00 52.01 C ATOM 732 CD GLU A 44 9.052 -14.462 -2.273 1.00 0.12 C ATOM 733 OE1 GLU A 44 9.816 -13.885 -3.076 1.00 74.24 O ATOM 734 OE2 GLU A 44 8.878 -15.700 -2.284 1.00 63.50 O ATOM 0 H GLU A 44 7.843 -11.290 -0.810 1.00 64.30 H new ATOM 0 HA GLU A 44 7.686 -12.896 1.493 1.00 42.31 H new ATOM 0 HB2 GLU A 44 10.019 -12.620 -0.464 1.00 52.25 H new ATOM 0 HB3 GLU A 44 9.556 -14.056 0.428 1.00 52.25 H new ATOM 0 HG2 GLU A 44 7.450 -14.201 -0.878 1.00 52.01 H new ATOM 0 HG3 GLU A 44 7.883 -12.746 -1.754 1.00 52.01 H new ATOM 741 N ASN A 45 9.754 -10.442 1.750 1.00 34.31 N ATOM 742 CA ASN A 45 10.767 -9.769 2.573 1.00 72.13 C ATOM 743 C ASN A 45 10.155 -8.653 3.437 1.00 65.30 C ATOM 744 O ASN A 45 10.853 -8.010 4.222 1.00 61.30 O ATOM 745 CB ASN A 45 11.845 -9.185 1.655 1.00 31.44 C ATOM 746 CG ASN A 45 12.410 -10.227 0.707 1.00 53.34 C ATOM 747 OD1 ASN A 45 12.518 -11.399 1.046 1.00 64.15 O ATOM 748 ND2 ASN A 45 12.749 -9.817 -0.495 1.00 4.22 N ATOM 0 H ASN A 45 9.352 -9.852 1.022 1.00 34.31 H new ATOM 0 HA ASN A 45 11.202 -10.504 3.251 1.00 72.13 H new ATOM 0 HB2 ASN A 45 11.423 -8.361 1.079 1.00 31.44 H new ATOM 0 HB3 ASN A 45 12.651 -8.771 2.260 1.00 31.44 H new ATOM 0 HD21 ASN A 45 13.114 -10.482 -1.177 1.00 4.22 H new ATOM 0 HD22 ASN A 45 12.647 -8.834 -0.746 1.00 4.22 H new ATOM 755 N LEU A 46 8.852 -8.424 3.287 1.00 53.25 N ATOM 756 CA LEU A 46 8.162 -7.363 4.033 1.00 40.42 C ATOM 757 C LEU A 46 7.670 -7.880 5.392 1.00 65.24 C ATOM 758 O LEU A 46 7.267 -9.039 5.517 1.00 44.53 O ATOM 759 CB LEU A 46 6.977 -6.822 3.215 1.00 22.45 C ATOM 760 CG LEU A 46 7.310 -6.382 1.779 1.00 11.42 C ATOM 761 CD1 LEU A 46 6.095 -5.743 1.107 1.00 34.55 C ATOM 762 CD2 LEU A 46 8.510 -5.437 1.762 1.00 3.43 C ATOM 0 H LEU A 46 8.250 -8.955 2.658 1.00 53.25 H new ATOM 0 HA LEU A 46 8.872 -6.555 4.209 1.00 40.42 H new ATOM 0 HB2 LEU A 46 6.207 -7.592 3.171 1.00 22.45 H new ATOM 0 HB3 LEU A 46 6.549 -5.972 3.747 1.00 22.45 H new ATOM 0 HG LEU A 46 7.577 -7.271 1.208 1.00 11.42 H new ATOM 0 HD11 LEU A 46 6.357 -5.441 0.093 1.00 34.55 H new ATOM 0 HD12 LEU A 46 5.278 -6.464 1.071 1.00 34.55 H new ATOM 0 HD13 LEU A 46 5.782 -4.868 1.677 1.00 34.55 H new ATOM 0 HD21 LEU A 46 8.725 -5.141 0.735 1.00 3.43 H new ATOM 0 HD22 LEU A 46 8.284 -4.551 2.356 1.00 3.43 H new ATOM 0 HD23 LEU A 46 9.378 -5.944 2.183 1.00 3.43 H new ATOM 774 N ASN A 47 7.718 -7.027 6.412 1.00 1.43 N ATOM 775 CA ASN A 47 7.280 -7.401 7.762 1.00 1.45 C ATOM 776 C ASN A 47 6.244 -6.409 8.300 1.00 72.11 C ATOM 777 O ASN A 47 6.156 -5.267 7.843 1.00 62.31 O ATOM 778 CB ASN A 47 8.478 -7.450 8.718 1.00 23.04 C ATOM 779 CG ASN A 47 9.625 -8.283 8.176 1.00 15.23 C ATOM 780 OD1 ASN A 47 9.701 -9.486 8.402 1.00 12.33 O ATOM 781 ND2 ASN A 47 10.523 -7.649 7.453 1.00 10.22 N ATOM 0 H ASN A 47 8.056 -6.068 6.333 1.00 1.43 H new ATOM 0 HA ASN A 47 6.822 -8.388 7.700 1.00 1.45 H new ATOM 0 HB2 ASN A 47 8.829 -6.435 8.907 1.00 23.04 H new ATOM 0 HB3 ASN A 47 8.157 -7.860 9.676 1.00 23.04 H new ATOM 0 HD21 ASN A 47 11.314 -8.159 7.060 1.00 10.22 H new ATOM 0 HD22 ASN A 47 10.428 -6.647 7.285 1.00 10.22 H new ATOM 788 N VAL A 48 5.465 -6.851 9.279 1.00 61.31 N ATOM 789 CA VAL A 48 4.499 -5.981 9.947 1.00 72.11 C ATOM 790 C VAL A 48 5.213 -4.841 10.693 1.00 60.55 C ATOM 791 O VAL A 48 6.020 -5.083 11.592 1.00 75.15 O ATOM 792 CB VAL A 48 3.629 -6.783 10.947 1.00 34.13 C ATOM 793 CG1 VAL A 48 2.628 -5.871 11.650 1.00 35.51 C ATOM 794 CG2 VAL A 48 2.916 -7.938 10.240 1.00 11.04 C ATOM 0 H VAL A 48 5.482 -7.808 9.630 1.00 61.31 H new ATOM 0 HA VAL A 48 3.855 -5.556 9.177 1.00 72.11 H new ATOM 0 HB VAL A 48 4.287 -7.206 11.706 1.00 34.13 H new ATOM 0 HG11 VAL A 48 2.029 -6.457 12.347 1.00 35.51 H new ATOM 0 HG12 VAL A 48 3.164 -5.095 12.196 1.00 35.51 H new ATOM 0 HG13 VAL A 48 1.975 -5.409 10.910 1.00 35.51 H new ATOM 0 HG21 VAL A 48 2.311 -8.488 10.961 1.00 11.04 H new ATOM 0 HG22 VAL A 48 2.273 -7.542 9.454 1.00 11.04 H new ATOM 0 HG23 VAL A 48 3.655 -8.608 9.801 1.00 11.04 H new ATOM 804 N GLY A 49 4.925 -3.600 10.307 1.00 73.44 N ATOM 805 CA GLY A 49 5.540 -2.448 10.961 1.00 23.33 C ATOM 806 C GLY A 49 6.557 -1.708 10.089 1.00 34.31 C ATOM 807 O GLY A 49 7.042 -0.641 10.476 1.00 30.12 O ATOM 0 H GLY A 49 4.278 -3.368 9.554 1.00 73.44 H new ATOM 0 HA2 GLY A 49 4.757 -1.751 11.259 1.00 23.33 H new ATOM 0 HA3 GLY A 49 6.034 -2.782 11.874 1.00 23.33 H new ATOM 811 N ASP A 50 6.889 -2.263 8.919 1.00 1.51 N ATOM 812 CA ASP A 50 7.826 -1.608 7.993 1.00 43.40 C ATOM 813 C ASP A 50 7.180 -0.402 7.281 1.00 52.33 C ATOM 814 O ASP A 50 6.068 -0.496 6.750 1.00 32.13 O ATOM 815 CB ASP A 50 8.354 -2.607 6.947 1.00 71.25 C ATOM 816 CG ASP A 50 9.334 -3.620 7.524 1.00 13.45 C ATOM 817 OD1 ASP A 50 10.138 -3.245 8.405 1.00 33.24 O ATOM 818 OD2 ASP A 50 9.334 -4.783 7.069 1.00 55.35 O ATOM 0 H ASP A 50 6.527 -3.158 8.590 1.00 1.51 H new ATOM 0 HA ASP A 50 8.660 -1.243 8.592 1.00 43.40 H new ATOM 0 HB2 ASP A 50 7.512 -3.138 6.504 1.00 71.25 H new ATOM 0 HB3 ASP A 50 8.842 -2.057 6.143 1.00 71.25 H new ATOM 823 N GLU A 51 7.889 0.731 7.284 1.00 23.04 N ATOM 824 CA GLU A 51 7.462 1.927 6.549 1.00 45.42 C ATOM 825 C GLU A 51 7.893 1.836 5.077 1.00 24.40 C ATOM 826 O GLU A 51 9.086 1.911 4.764 1.00 3.51 O ATOM 827 CB GLU A 51 8.076 3.194 7.163 1.00 71.23 C ATOM 828 CG GLU A 51 7.781 3.399 8.645 1.00 33.30 C ATOM 829 CD GLU A 51 8.448 4.655 9.193 1.00 62.32 C ATOM 830 OE1 GLU A 51 9.698 4.742 9.140 1.00 61.51 O ATOM 831 OE2 GLU A 51 7.739 5.559 9.678 1.00 10.33 O ATOM 0 H GLU A 51 8.767 0.846 7.791 1.00 23.04 H new ATOM 0 HA GLU A 51 6.375 1.982 6.613 1.00 45.42 H new ATOM 0 HB2 GLU A 51 9.157 3.160 7.024 1.00 71.23 H new ATOM 0 HB3 GLU A 51 7.711 4.061 6.612 1.00 71.23 H new ATOM 0 HG2 GLU A 51 6.703 3.467 8.794 1.00 33.30 H new ATOM 0 HG3 GLU A 51 8.126 2.531 9.207 1.00 33.30 H new ATOM 838 N ILE A 52 6.932 1.668 4.178 1.00 3.14 N ATOM 839 CA ILE A 52 7.226 1.590 2.742 1.00 70.55 C ATOM 840 C ILE A 52 6.706 2.828 1.991 1.00 31.55 C ATOM 841 O ILE A 52 5.558 3.240 2.165 1.00 33.05 O ATOM 842 CB ILE A 52 6.624 0.308 2.108 1.00 55.25 C ATOM 843 CG1 ILE A 52 7.174 -0.946 2.815 1.00 52.15 C ATOM 844 CG2 ILE A 52 6.920 0.257 0.606 1.00 54.31 C ATOM 845 CD1 ILE A 52 6.698 -2.252 2.211 1.00 32.30 C ATOM 0 H ILE A 52 5.943 1.583 4.411 1.00 3.14 H new ATOM 0 HA ILE A 52 8.311 1.553 2.646 1.00 70.55 H new ATOM 0 HB ILE A 52 5.542 0.332 2.239 1.00 55.25 H new ATOM 0 HG12 ILE A 52 8.263 -0.919 2.785 1.00 52.15 H new ATOM 0 HG13 ILE A 52 6.883 -0.916 3.865 1.00 52.15 H new ATOM 0 HG21 ILE A 52 6.489 -0.650 0.181 1.00 54.31 H new ATOM 0 HG22 ILE A 52 6.483 1.129 0.119 1.00 54.31 H new ATOM 0 HG23 ILE A 52 7.998 0.255 0.448 1.00 54.31 H new ATOM 0 HD11 ILE A 52 7.129 -3.087 2.764 1.00 32.30 H new ATOM 0 HD12 ILE A 52 5.611 -2.303 2.265 1.00 32.30 H new ATOM 0 HD13 ILE A 52 7.012 -2.307 1.169 1.00 32.30 H new ATOM 857 N ILE A 53 7.568 3.425 1.165 1.00 73.31 N ATOM 858 CA ILE A 53 7.187 4.577 0.341 1.00 54.22 C ATOM 859 C ILE A 53 6.546 4.112 -0.977 1.00 11.25 C ATOM 860 O ILE A 53 7.183 3.433 -1.785 1.00 43.22 O ATOM 861 CB ILE A 53 8.411 5.480 0.029 1.00 53.04 C ATOM 862 CG1 ILE A 53 9.057 5.973 1.339 1.00 41.43 C ATOM 863 CG2 ILE A 53 8.004 6.662 -0.859 1.00 73.43 C ATOM 864 CD1 ILE A 53 10.273 6.854 1.134 1.00 33.53 C ATOM 0 H ILE A 53 8.537 3.130 1.048 1.00 73.31 H new ATOM 0 HA ILE A 53 6.462 5.158 0.911 1.00 54.22 H new ATOM 0 HB ILE A 53 9.147 4.890 -0.518 1.00 53.04 H new ATOM 0 HG12 ILE A 53 8.313 6.526 1.913 1.00 41.43 H new ATOM 0 HG13 ILE A 53 9.344 5.109 1.938 1.00 41.43 H new ATOM 0 HG21 ILE A 53 8.878 7.281 -1.064 1.00 73.43 H new ATOM 0 HG22 ILE A 53 7.595 6.288 -1.798 1.00 73.43 H new ATOM 0 HG23 ILE A 53 7.249 7.259 -0.347 1.00 73.43 H new ATOM 0 HD11 ILE A 53 10.669 7.159 2.103 1.00 33.53 H new ATOM 0 HD12 ILE A 53 11.036 6.299 0.588 1.00 33.53 H new ATOM 0 HD13 ILE A 53 9.990 7.738 0.563 1.00 33.53 H new ATOM 876 N VAL A 54 5.282 4.476 -1.184 1.00 62.42 N ATOM 877 CA VAL A 54 4.530 4.035 -2.365 1.00 32.43 C ATOM 878 C VAL A 54 3.737 5.182 -3.006 1.00 52.12 C ATOM 879 O VAL A 54 3.503 6.225 -2.394 1.00 72.22 O ATOM 880 CB VAL A 54 3.546 2.888 -2.013 1.00 5.13 C ATOM 881 CG1 VAL A 54 4.295 1.617 -1.615 1.00 60.33 C ATOM 882 CG2 VAL A 54 2.585 3.319 -0.905 1.00 1.11 C ATOM 0 H VAL A 54 4.753 5.076 -0.551 1.00 62.42 H new ATOM 0 HA VAL A 54 5.272 3.676 -3.078 1.00 32.43 H new ATOM 0 HB VAL A 54 2.962 2.665 -2.906 1.00 5.13 H new ATOM 0 HG11 VAL A 54 3.578 0.832 -1.374 1.00 60.33 H new ATOM 0 HG12 VAL A 54 4.925 1.291 -2.443 1.00 60.33 H new ATOM 0 HG13 VAL A 54 4.917 1.819 -0.743 1.00 60.33 H new ATOM 0 HG21 VAL A 54 1.904 2.499 -0.675 1.00 1.11 H new ATOM 0 HG22 VAL A 54 3.153 3.581 -0.012 1.00 1.11 H new ATOM 0 HG23 VAL A 54 2.011 4.184 -1.237 1.00 1.11 H new ATOM 892 N GLN A 55 3.331 4.980 -4.252 1.00 42.31 N ATOM 893 CA GLN A 55 2.473 5.934 -4.954 1.00 22.32 C ATOM 894 C GLN A 55 1.057 5.362 -5.107 1.00 23.34 C ATOM 895 O GLN A 55 0.884 4.185 -5.438 1.00 54.14 O ATOM 896 CB GLN A 55 3.071 6.273 -6.327 1.00 43.23 C ATOM 897 CG GLN A 55 2.293 7.338 -7.096 1.00 1.41 C ATOM 898 CD GLN A 55 2.939 7.700 -8.424 1.00 21.55 C ATOM 899 OE1 GLN A 55 3.602 6.883 -9.049 1.00 45.10 O ATOM 900 NE2 GLN A 55 2.752 8.927 -8.863 1.00 41.24 N ATOM 0 H GLN A 55 3.582 4.159 -4.803 1.00 42.31 H new ATOM 0 HA GLN A 55 2.412 6.851 -4.368 1.00 22.32 H new ATOM 0 HB2 GLN A 55 4.097 6.614 -6.191 1.00 43.23 H new ATOM 0 HB3 GLN A 55 3.114 5.364 -6.928 1.00 43.23 H new ATOM 0 HG2 GLN A 55 1.279 6.981 -7.276 1.00 1.41 H new ATOM 0 HG3 GLN A 55 2.210 8.235 -6.482 1.00 1.41 H new ATOM 0 HE21 GLN A 55 2.194 9.584 -8.318 1.00 41.24 H new ATOM 0 HE22 GLN A 55 3.165 9.220 -9.748 1.00 41.24 H new ATOM 909 N ALA A 56 0.048 6.187 -4.848 1.00 41.43 N ATOM 910 CA ALA A 56 -1.346 5.745 -4.942 1.00 24.14 C ATOM 911 C ALA A 56 -1.781 5.544 -6.404 1.00 22.32 C ATOM 912 O ALA A 56 -1.657 6.450 -7.228 1.00 24.00 O ATOM 913 CB ALA A 56 -2.264 6.748 -4.249 1.00 72.21 C ATOM 0 H ALA A 56 0.164 7.162 -4.572 1.00 41.43 H new ATOM 0 HA ALA A 56 -1.424 4.781 -4.439 1.00 24.14 H new ATOM 0 HB1 ALA A 56 -3.297 6.409 -4.325 1.00 72.21 H new ATOM 0 HB2 ALA A 56 -1.986 6.830 -3.198 1.00 72.21 H new ATOM 0 HB3 ALA A 56 -2.166 7.722 -4.728 1.00 72.21 H new ATOM 919 N ILE A 57 -2.282 4.351 -6.722 1.00 32.42 N ATOM 920 CA ILE A 57 -2.774 4.052 -8.074 1.00 4.23 C ATOM 921 C ILE A 57 -4.236 4.502 -8.239 1.00 63.43 C ATOM 922 O ILE A 57 -4.529 5.451 -8.970 1.00 12.10 O ATOM 923 CB ILE A 57 -2.666 2.537 -8.393 1.00 24.25 C ATOM 924 CG1 ILE A 57 -1.235 2.032 -8.147 1.00 53.52 C ATOM 925 CG2 ILE A 57 -3.092 2.258 -9.836 1.00 65.23 C ATOM 926 CD1 ILE A 57 -1.067 0.539 -8.357 1.00 41.24 C ATOM 0 H ILE A 57 -2.360 3.574 -6.066 1.00 32.42 H new ATOM 0 HA ILE A 57 -2.146 4.605 -8.773 1.00 4.23 H new ATOM 0 HB ILE A 57 -3.340 1.999 -7.726 1.00 24.25 H new ATOM 0 HG12 ILE A 57 -0.553 2.562 -8.813 1.00 53.52 H new ATOM 0 HG13 ILE A 57 -0.942 2.281 -7.127 1.00 53.52 H new ATOM 0 HG21 ILE A 57 -3.009 1.190 -10.040 1.00 65.23 H new ATOM 0 HG22 ILE A 57 -4.125 2.576 -9.978 1.00 65.23 H new ATOM 0 HG23 ILE A 57 -2.446 2.809 -10.519 1.00 65.23 H new ATOM 0 HD11 ILE A 57 -0.031 0.259 -8.165 1.00 41.24 H new ATOM 0 HD12 ILE A 57 -1.722 -0.001 -7.673 1.00 41.24 H new ATOM 0 HD13 ILE A 57 -1.327 0.285 -9.385 1.00 41.24 H new ATOM 938 N ASP A 58 -5.149 3.825 -7.539 1.00 63.43 N ATOM 939 CA ASP A 58 -6.576 4.163 -7.582 1.00 33.32 C ATOM 940 C ASP A 58 -7.147 4.356 -6.171 1.00 52.14 C ATOM 941 O ASP A 58 -6.991 3.495 -5.303 1.00 12.32 O ATOM 942 CB ASP A 58 -7.373 3.064 -8.299 1.00 55.15 C ATOM 943 CG ASP A 58 -7.001 2.925 -9.763 1.00 23.13 C ATOM 944 OD1 ASP A 58 -7.377 3.807 -10.563 1.00 13.34 O ATOM 945 OD2 ASP A 58 -6.337 1.932 -10.125 1.00 43.11 O ATOM 0 H ASP A 58 -4.925 3.036 -6.933 1.00 63.43 H new ATOM 0 HA ASP A 58 -6.669 5.099 -8.132 1.00 33.32 H new ATOM 0 HB2 ASP A 58 -7.205 2.112 -7.795 1.00 55.15 H new ATOM 0 HB3 ASP A 58 -8.438 3.283 -8.219 1.00 55.15 H new ATOM 950 N VAL A 59 -7.810 5.489 -5.953 1.00 73.41 N ATOM 951 CA VAL A 59 -8.521 5.753 -4.700 1.00 2.11 C ATOM 952 C VAL A 59 -10.035 5.642 -4.929 1.00 75.22 C ATOM 953 O VAL A 59 -10.647 6.522 -5.536 1.00 43.13 O ATOM 954 CB VAL A 59 -8.183 7.158 -4.138 1.00 52.21 C ATOM 955 CG1 VAL A 59 -8.945 7.427 -2.838 1.00 12.33 C ATOM 956 CG2 VAL A 59 -6.675 7.304 -3.923 1.00 4.01 C ATOM 0 H VAL A 59 -7.871 6.247 -6.633 1.00 73.41 H new ATOM 0 HA VAL A 59 -8.200 5.010 -3.970 1.00 2.11 H new ATOM 0 HB VAL A 59 -8.498 7.900 -4.871 1.00 52.21 H new ATOM 0 HG11 VAL A 59 -8.690 8.419 -2.465 1.00 12.33 H new ATOM 0 HG12 VAL A 59 -10.017 7.375 -3.027 1.00 12.33 H new ATOM 0 HG13 VAL A 59 -8.671 6.678 -2.094 1.00 12.33 H new ATOM 0 HG21 VAL A 59 -6.458 8.297 -3.528 1.00 4.01 H new ATOM 0 HG22 VAL A 59 -6.334 6.549 -3.214 1.00 4.01 H new ATOM 0 HG23 VAL A 59 -6.157 7.170 -4.873 1.00 4.01 H new ATOM 966 N ARG A 60 -10.630 4.550 -4.461 1.00 43.42 N ATOM 967 CA ARG A 60 -12.046 4.269 -4.722 1.00 61.30 C ATOM 968 C ARG A 60 -12.910 4.528 -3.477 1.00 25.32 C ATOM 969 O ARG A 60 -12.935 3.710 -2.555 1.00 2.55 O ATOM 970 CB ARG A 60 -12.202 2.812 -5.186 1.00 62.03 C ATOM 971 CG ARG A 60 -11.339 2.470 -6.400 1.00 32.35 C ATOM 972 CD ARG A 60 -11.440 0.997 -6.784 1.00 4.22 C ATOM 973 NE ARG A 60 -10.500 0.646 -7.849 1.00 42.42 N ATOM 974 CZ ARG A 60 -9.391 -0.020 -7.656 1.00 2.21 C ATOM 975 NH1 ARG A 60 -9.090 -0.482 -6.488 1.00 34.23 N ATOM 976 NH2 ARG A 60 -8.589 -0.252 -8.640 1.00 72.11 N ATOM 0 H ARG A 60 -10.158 3.842 -3.899 1.00 43.42 H new ATOM 0 HA ARG A 60 -12.391 4.942 -5.507 1.00 61.30 H new ATOM 0 HB2 ARG A 60 -11.941 2.146 -4.364 1.00 62.03 H new ATOM 0 HB3 ARG A 60 -13.248 2.625 -5.428 1.00 62.03 H new ATOM 0 HG2 ARG A 60 -11.645 3.086 -7.246 1.00 32.35 H new ATOM 0 HG3 ARG A 60 -10.299 2.717 -6.185 1.00 32.35 H new ATOM 0 HD2 ARG A 60 -11.244 0.379 -5.908 1.00 4.22 H new ATOM 0 HD3 ARG A 60 -12.456 0.775 -7.109 1.00 4.22 H new ATOM 0 HE ARG A 60 -10.723 0.939 -8.800 1.00 42.42 H new ATOM 0 HH11 ARG A 60 -9.721 -0.329 -5.701 1.00 34.23 H new ATOM 0 HH12 ARG A 60 -8.222 -1.000 -6.353 1.00 34.23 H new ATOM 0 HH21 ARG A 60 -8.818 0.085 -9.575 1.00 72.11 H new ATOM 0 HH22 ARG A 60 -7.726 -0.772 -8.483 1.00 72.11 H new ATOM 990 N PRO A 61 -13.641 5.665 -3.435 1.00 65.10 N ATOM 991 CA PRO A 61 -14.485 6.029 -2.277 1.00 42.42 C ATOM 992 C PRO A 61 -15.554 4.967 -1.975 1.00 25.14 C ATOM 993 O PRO A 61 -15.804 4.631 -0.817 1.00 22.54 O ATOM 994 CB PRO A 61 -15.136 7.360 -2.704 1.00 74.21 C ATOM 995 CG PRO A 61 -14.994 7.404 -4.191 1.00 34.44 C ATOM 996 CD PRO A 61 -13.712 6.680 -4.503 1.00 73.52 C ATOM 0 HA PRO A 61 -13.903 6.108 -1.359 1.00 42.42 H new ATOM 0 HB2 PRO A 61 -16.184 7.399 -2.407 1.00 74.21 H new ATOM 0 HB3 PRO A 61 -14.640 8.210 -2.235 1.00 74.21 H new ATOM 0 HG2 PRO A 61 -15.842 6.924 -4.679 1.00 34.44 H new ATOM 0 HG3 PRO A 61 -14.959 8.433 -4.550 1.00 34.44 H new ATOM 0 HD2 PRO A 61 -13.736 6.224 -5.493 1.00 73.52 H new ATOM 0 HD3 PRO A 61 -12.853 7.351 -4.481 1.00 73.52 H new ATOM 1004 N GLU A 62 -16.160 4.427 -3.031 1.00 32.21 N ATOM 1005 CA GLU A 62 -17.166 3.366 -2.900 1.00 63.14 C ATOM 1006 C GLU A 62 -16.586 2.102 -2.240 1.00 40.33 C ATOM 1007 O GLU A 62 -17.315 1.309 -1.643 1.00 4.11 O ATOM 1008 CB GLU A 62 -17.728 3.005 -4.282 1.00 72.22 C ATOM 1009 CG GLU A 62 -16.661 2.569 -5.282 1.00 5.44 C ATOM 1010 CD GLU A 62 -17.253 2.006 -6.563 1.00 44.13 C ATOM 1011 OE1 GLU A 62 -17.617 0.811 -6.569 1.00 65.15 O ATOM 1012 OE2 GLU A 62 -17.367 2.749 -7.559 1.00 51.13 O ATOM 0 H GLU A 62 -15.973 4.707 -3.994 1.00 32.21 H new ATOM 0 HA GLU A 62 -17.961 3.747 -2.259 1.00 63.14 H new ATOM 0 HB2 GLU A 62 -18.458 2.203 -4.170 1.00 72.22 H new ATOM 0 HB3 GLU A 62 -18.261 3.867 -4.685 1.00 72.22 H new ATOM 0 HG2 GLU A 62 -16.026 3.421 -5.524 1.00 5.44 H new ATOM 0 HG3 GLU A 62 -16.022 1.816 -4.820 1.00 5.44 H new ATOM 1019 N LYS A 63 -15.273 1.907 -2.372 1.00 72.15 N ATOM 1020 CA LYS A 63 -14.599 0.726 -1.814 1.00 32.32 C ATOM 1021 C LYS A 63 -13.801 1.068 -0.543 1.00 44.24 C ATOM 1022 O LYS A 63 -13.436 0.177 0.224 1.00 12.45 O ATOM 1023 CB LYS A 63 -13.659 0.112 -2.865 1.00 32.45 C ATOM 1024 CG LYS A 63 -14.355 -0.443 -4.117 1.00 51.24 C ATOM 1025 CD LYS A 63 -15.157 -1.723 -3.835 1.00 71.11 C ATOM 1026 CE LYS A 63 -16.599 -1.442 -3.406 1.00 60.31 C ATOM 1027 NZ LYS A 63 -17.426 -0.913 -4.525 1.00 24.23 N ATOM 0 H LYS A 63 -14.651 2.551 -2.861 1.00 72.15 H new ATOM 0 HA LYS A 63 -15.370 0.006 -1.541 1.00 32.32 H new ATOM 0 HB2 LYS A 63 -12.940 0.871 -3.174 1.00 32.45 H new ATOM 0 HB3 LYS A 63 -13.092 -0.693 -2.397 1.00 32.45 H new ATOM 0 HG2 LYS A 63 -15.023 0.317 -4.523 1.00 51.24 H new ATOM 0 HG3 LYS A 63 -13.606 -0.650 -4.882 1.00 51.24 H new ATOM 0 HD2 LYS A 63 -15.165 -2.345 -4.730 1.00 71.11 H new ATOM 0 HD3 LYS A 63 -14.656 -2.295 -3.054 1.00 71.11 H new ATOM 0 HE2 LYS A 63 -17.049 -2.360 -3.027 1.00 60.31 H new ATOM 0 HE3 LYS A 63 -16.599 -0.724 -2.586 1.00 60.31 H new ATOM 0 HZ1 LYS A 63 -18.375 -0.674 -4.173 1.00 24.23 H new ATOM 0 HZ2 LYS A 63 -16.977 -0.060 -4.916 1.00 24.23 H new ATOM 0 HZ3 LYS A 63 -17.505 -1.635 -5.269 1.00 24.23 H new ATOM 1041 N ARG A 64 -13.517 2.357 -0.341 1.00 74.31 N ATOM 1042 CA ARG A 64 -12.766 2.842 0.833 1.00 73.05 C ATOM 1043 C ARG A 64 -11.304 2.339 0.867 1.00 42.21 C ATOM 1044 O ARG A 64 -10.548 2.688 1.778 1.00 13.13 O ATOM 1045 CB ARG A 64 -13.481 2.452 2.136 1.00 24.24 C ATOM 1046 CG ARG A 64 -14.869 3.062 2.283 1.00 73.14 C ATOM 1047 CD ARG A 64 -15.508 2.687 3.613 1.00 3.04 C ATOM 1048 NE ARG A 64 -16.791 3.357 3.807 1.00 2.01 N ATOM 1049 CZ ARG A 64 -17.207 3.832 4.950 1.00 23.12 C ATOM 1050 NH1 ARG A 64 -16.481 3.723 6.015 1.00 74.43 N ATOM 1051 NH2 ARG A 64 -18.348 4.426 5.028 1.00 61.30 N ATOM 0 H ARG A 64 -13.798 3.098 -0.983 1.00 74.31 H new ATOM 0 HA ARG A 64 -12.731 3.928 0.744 1.00 73.05 H new ATOM 0 HB2 ARG A 64 -13.565 1.366 2.182 1.00 24.24 H new ATOM 0 HB3 ARG A 64 -12.867 2.761 2.982 1.00 24.24 H new ATOM 0 HG2 ARG A 64 -14.800 4.147 2.205 1.00 73.14 H new ATOM 0 HG3 ARG A 64 -15.505 2.723 1.465 1.00 73.14 H new ATOM 0 HD2 ARG A 64 -15.652 1.607 3.655 1.00 3.04 H new ATOM 0 HD3 ARG A 64 -14.833 2.951 4.427 1.00 3.04 H new ATOM 0 HE ARG A 64 -17.402 3.461 2.997 1.00 2.01 H new ATOM 0 HH11 ARG A 64 -15.572 3.262 5.968 1.00 74.43 H new ATOM 0 HH12 ARG A 64 -16.817 4.098 6.902 1.00 74.43 H new ATOM 0 HH21 ARG A 64 -18.929 4.526 4.196 1.00 61.30 H new ATOM 0 HH22 ARG A 64 -18.670 4.796 5.922 1.00 61.30 H new ATOM 1065 N GLU A 65 -10.914 1.537 -0.126 1.00 14.35 N ATOM 1066 CA GLU A 65 -9.558 0.971 -0.202 1.00 14.21 C ATOM 1067 C GLU A 65 -8.784 1.529 -1.409 1.00 61.11 C ATOM 1068 O GLU A 65 -9.377 2.043 -2.363 1.00 64.31 O ATOM 1069 CB GLU A 65 -9.618 -0.566 -0.273 1.00 73.15 C ATOM 1070 CG GLU A 65 -10.097 -1.226 1.021 1.00 52.43 C ATOM 1071 CD GLU A 65 -10.206 -2.743 0.917 1.00 73.21 C ATOM 1072 OE1 GLU A 65 -9.163 -3.415 0.785 1.00 52.22 O ATOM 1073 OE2 GLU A 65 -11.338 -3.272 0.963 1.00 73.54 O ATOM 0 H GLU A 65 -11.522 1.261 -0.897 1.00 14.35 H new ATOM 0 HA GLU A 65 -9.026 1.263 0.704 1.00 14.21 H new ATOM 0 HB2 GLU A 65 -10.283 -0.857 -1.086 1.00 73.15 H new ATOM 0 HB3 GLU A 65 -8.627 -0.948 -0.519 1.00 73.15 H new ATOM 0 HG2 GLU A 65 -9.409 -0.972 1.827 1.00 52.43 H new ATOM 0 HG3 GLU A 65 -11.070 -0.816 1.292 1.00 52.43 H new ATOM 1080 N ILE A 66 -7.456 1.422 -1.356 1.00 32.34 N ATOM 1081 CA ILE A 66 -6.576 2.008 -2.377 1.00 15.30 C ATOM 1082 C ILE A 66 -5.507 1.006 -2.858 1.00 21.41 C ATOM 1083 O ILE A 66 -4.972 0.231 -2.067 1.00 3.25 O ATOM 1084 CB ILE A 66 -5.856 3.265 -1.813 1.00 43.44 C ATOM 1085 CG1 ILE A 66 -6.880 4.295 -1.306 1.00 54.23 C ATOM 1086 CG2 ILE A 66 -4.939 3.892 -2.866 1.00 63.22 C ATOM 1087 CD1 ILE A 66 -6.256 5.503 -0.639 1.00 2.03 C ATOM 0 H ILE A 66 -6.960 0.932 -0.612 1.00 32.34 H new ATOM 0 HA ILE A 66 -7.208 2.280 -3.222 1.00 15.30 H new ATOM 0 HB ILE A 66 -5.238 2.950 -0.972 1.00 43.44 H new ATOM 0 HG12 ILE A 66 -7.490 4.630 -2.145 1.00 54.23 H new ATOM 0 HG13 ILE A 66 -7.551 3.808 -0.599 1.00 54.23 H new ATOM 0 HG21 ILE A 66 -4.448 4.769 -2.445 1.00 63.22 H new ATOM 0 HG22 ILE A 66 -4.185 3.166 -3.171 1.00 63.22 H new ATOM 0 HG23 ILE A 66 -5.530 4.188 -3.733 1.00 63.22 H new ATOM 0 HD11 ILE A 66 -7.042 6.183 -0.309 1.00 2.03 H new ATOM 0 HD12 ILE A 66 -5.669 5.181 0.221 1.00 2.03 H new ATOM 0 HD13 ILE A 66 -5.607 6.016 -1.349 1.00 2.03 H new ATOM 1099 N ASP A 67 -5.199 1.034 -4.156 1.00 23.33 N ATOM 1100 CA ASP A 67 -4.070 0.263 -4.700 1.00 20.24 C ATOM 1101 C ASP A 67 -2.755 1.041 -4.550 1.00 50.51 C ATOM 1102 O ASP A 67 -2.686 2.232 -4.867 1.00 13.34 O ATOM 1103 CB ASP A 67 -4.291 -0.074 -6.183 1.00 43.00 C ATOM 1104 CG ASP A 67 -5.356 -1.129 -6.408 1.00 23.03 C ATOM 1105 OD1 ASP A 67 -5.098 -2.305 -6.084 1.00 62.22 O ATOM 1106 OD2 ASP A 67 -6.431 -0.798 -6.946 1.00 71.43 O ATOM 0 H ASP A 67 -5.710 1.578 -4.851 1.00 23.33 H new ATOM 0 HA ASP A 67 -4.008 -0.665 -4.131 1.00 20.24 H new ATOM 0 HB2 ASP A 67 -4.571 0.834 -6.717 1.00 43.00 H new ATOM 0 HB3 ASP A 67 -3.351 -0.419 -6.614 1.00 43.00 H new ATOM 1111 N PHE A 68 -1.716 0.364 -4.070 1.00 32.50 N ATOM 1112 CA PHE A 68 -0.398 0.985 -3.904 1.00 11.20 C ATOM 1113 C PHE A 68 0.608 0.452 -4.930 1.00 21.21 C ATOM 1114 O PHE A 68 0.551 -0.711 -5.332 1.00 64.44 O ATOM 1115 CB PHE A 68 0.137 0.744 -2.487 1.00 3.14 C ATOM 1116 CG PHE A 68 -0.741 1.308 -1.401 1.00 50.00 C ATOM 1117 CD1 PHE A 68 -1.237 2.600 -1.495 1.00 4.31 C ATOM 1118 CD2 PHE A 68 -1.063 0.552 -0.283 1.00 34.15 C ATOM 1119 CE1 PHE A 68 -2.038 3.122 -0.500 1.00 4.14 C ATOM 1120 CE2 PHE A 68 -1.862 1.073 0.714 1.00 53.23 C ATOM 1121 CZ PHE A 68 -2.350 2.359 0.606 1.00 63.43 C ATOM 0 H PHE A 68 -1.757 -0.615 -3.788 1.00 32.50 H new ATOM 0 HA PHE A 68 -0.521 2.056 -4.067 1.00 11.20 H new ATOM 0 HB2 PHE A 68 0.250 -0.329 -2.329 1.00 3.14 H new ATOM 0 HB3 PHE A 68 1.130 1.185 -2.404 1.00 3.14 H new ATOM 0 HD1 PHE A 68 -0.994 3.204 -2.357 1.00 4.31 H new ATOM 0 HD2 PHE A 68 -0.684 -0.455 -0.192 1.00 34.15 H new ATOM 0 HE1 PHE A 68 -2.421 4.128 -0.587 1.00 4.14 H new ATOM 0 HE2 PHE A 68 -2.105 0.474 1.579 1.00 53.23 H new ATOM 0 HZ PHE A 68 -2.975 2.768 1.386 1.00 63.43 H new ATOM 1131 N LYS A 69 1.525 1.319 -5.345 1.00 43.42 N ATOM 1132 CA LYS A 69 2.583 0.960 -6.294 1.00 30.43 C ATOM 1133 C LYS A 69 3.960 1.318 -5.723 1.00 33.13 C ATOM 1134 O LYS A 69 4.159 2.424 -5.219 1.00 24.31 O ATOM 1135 CB LYS A 69 2.363 1.708 -7.616 1.00 2.22 C ATOM 1136 CG LYS A 69 3.453 1.480 -8.660 1.00 12.12 C ATOM 1137 CD LYS A 69 3.257 2.383 -9.877 1.00 74.22 C ATOM 1138 CE LYS A 69 3.299 3.859 -9.491 1.00 11.52 C ATOM 1139 NZ LYS A 69 3.046 4.752 -10.651 1.00 60.53 N ATOM 0 H LYS A 69 1.560 2.290 -5.036 1.00 43.42 H new ATOM 0 HA LYS A 69 2.546 -0.115 -6.470 1.00 30.43 H new ATOM 0 HB2 LYS A 69 1.405 1.403 -8.037 1.00 2.22 H new ATOM 0 HB3 LYS A 69 2.294 2.776 -7.408 1.00 2.22 H new ATOM 0 HG2 LYS A 69 4.430 1.672 -8.216 1.00 12.12 H new ATOM 0 HG3 LYS A 69 3.445 0.436 -8.974 1.00 12.12 H new ATOM 0 HD2 LYS A 69 4.033 2.176 -10.614 1.00 74.22 H new ATOM 0 HD3 LYS A 69 2.301 2.156 -10.349 1.00 74.22 H new ATOM 0 HE2 LYS A 69 2.555 4.051 -8.718 1.00 11.52 H new ATOM 0 HE3 LYS A 69 4.273 4.092 -9.061 1.00 11.52 H new ATOM 0 HZ1 LYS A 69 3.250 5.736 -10.383 1.00 60.53 H new ATOM 0 HZ2 LYS A 69 3.660 4.475 -11.443 1.00 60.53 H new ATOM 0 HZ3 LYS A 69 2.050 4.671 -10.940 1.00 60.53 H new ATOM 1153 N TYR A 70 4.915 0.399 -5.815 1.00 34.31 N ATOM 1154 CA TYR A 70 6.267 0.659 -5.313 1.00 61.00 C ATOM 1155 C TYR A 70 7.127 1.317 -6.397 1.00 15.22 C ATOM 1156 O TYR A 70 7.162 0.867 -7.543 1.00 4.22 O ATOM 1157 CB TYR A 70 6.928 -0.639 -4.833 1.00 50.41 C ATOM 1158 CG TYR A 70 8.303 -0.439 -4.209 1.00 2.13 C ATOM 1159 CD1 TYR A 70 9.455 -0.443 -4.991 1.00 21.32 C ATOM 1160 CD2 TYR A 70 8.447 -0.250 -2.838 1.00 3.00 C ATOM 1161 CE1 TYR A 70 10.703 -0.265 -4.429 1.00 50.32 C ATOM 1162 CE2 TYR A 70 9.695 -0.070 -2.268 1.00 32.31 C ATOM 1163 CZ TYR A 70 10.819 -0.079 -3.069 1.00 61.23 C ATOM 1164 OH TYR A 70 12.065 0.088 -2.509 1.00 21.23 O ATOM 0 H TYR A 70 4.784 -0.525 -6.227 1.00 34.31 H new ATOM 0 HA TYR A 70 6.187 1.341 -4.467 1.00 61.00 H new ATOM 0 HB2 TYR A 70 6.275 -1.119 -4.104 1.00 50.41 H new ATOM 0 HB3 TYR A 70 7.019 -1.322 -5.677 1.00 50.41 H new ATOM 0 HD1 TYR A 70 9.370 -0.588 -6.058 1.00 21.32 H new ATOM 0 HD2 TYR A 70 7.570 -0.244 -2.208 1.00 3.00 H new ATOM 0 HE1 TYR A 70 11.585 -0.272 -5.053 1.00 50.32 H new ATOM 0 HE2 TYR A 70 9.789 0.077 -1.202 1.00 32.31 H new ATOM 0 HH TYR A 70 12.657 0.529 -3.154 1.00 21.23 H new ATOM 1174 N ILE A 71 7.823 2.380 -6.026 1.00 54.13 N ATOM 1175 CA ILE A 71 8.651 3.134 -6.966 1.00 51.14 C ATOM 1176 C ILE A 71 10.106 3.226 -6.484 1.00 41.42 C ATOM 1177 O ILE A 71 10.367 3.277 -5.283 1.00 43.35 O ATOM 1178 CB ILE A 71 8.090 4.565 -7.166 1.00 63.32 C ATOM 1179 CG1 ILE A 71 7.941 5.266 -5.805 1.00 22.33 C ATOM 1180 CG2 ILE A 71 6.755 4.524 -7.912 1.00 53.41 C ATOM 1181 CD1 ILE A 71 7.388 6.668 -5.896 1.00 24.51 C ATOM 0 H ILE A 71 7.833 2.746 -5.074 1.00 54.13 H new ATOM 0 HA ILE A 71 8.629 2.598 -7.915 1.00 51.14 H new ATOM 0 HB ILE A 71 8.792 5.136 -7.774 1.00 63.32 H new ATOM 0 HG12 ILE A 71 7.287 4.669 -5.169 1.00 22.33 H new ATOM 0 HG13 ILE A 71 8.915 5.301 -5.317 1.00 22.33 H new ATOM 0 HG21 ILE A 71 6.379 5.539 -8.042 1.00 53.41 H new ATOM 0 HG22 ILE A 71 6.898 4.063 -8.889 1.00 53.41 H new ATOM 0 HG23 ILE A 71 6.035 3.941 -7.338 1.00 53.41 H new ATOM 0 HD11 ILE A 71 7.313 7.095 -4.896 1.00 24.51 H new ATOM 0 HD12 ILE A 71 8.052 7.282 -6.504 1.00 24.51 H new ATOM 0 HD13 ILE A 71 6.399 6.640 -6.354 1.00 24.51 H new ATOM 1193 N PRO A 72 11.080 3.224 -7.415 1.00 2.41 N ATOM 1194 CA PRO A 72 12.498 3.447 -7.077 1.00 64.54 C ATOM 1195 C PRO A 72 12.760 4.871 -6.549 1.00 3.42 C ATOM 1196 O PRO A 72 13.818 5.156 -5.984 1.00 32.54 O ATOM 1197 CB PRO A 72 13.228 3.217 -8.413 1.00 41.41 C ATOM 1198 CG PRO A 72 12.253 2.476 -9.269 1.00 3.24 C ATOM 1199 CD PRO A 72 10.896 2.972 -8.855 1.00 11.52 C ATOM 0 HA PRO A 72 12.834 2.787 -6.278 1.00 64.54 H new ATOM 0 HB2 PRO A 72 13.516 4.163 -8.872 1.00 41.41 H new ATOM 0 HB3 PRO A 72 14.142 2.641 -8.268 1.00 41.41 H new ATOM 0 HG2 PRO A 72 12.435 2.667 -10.327 1.00 3.24 H new ATOM 0 HG3 PRO A 72 12.339 1.400 -9.120 1.00 3.24 H new ATOM 0 HD2 PRO A 72 10.612 3.876 -9.393 1.00 11.52 H new ATOM 0 HD3 PRO A 72 10.118 2.232 -9.042 1.00 11.52 H new ATOM 1207 N LEU A 73 11.792 5.765 -6.753 1.00 62.04 N ATOM 1208 CA LEU A 73 11.877 7.138 -6.247 1.00 71.05 C ATOM 1209 C LEU A 73 11.458 7.164 -4.767 1.00 53.35 C ATOM 1210 O LEU A 73 10.318 7.492 -4.434 1.00 0.54 O ATOM 1211 CB LEU A 73 10.981 8.068 -7.095 1.00 70.12 C ATOM 1212 CG LEU A 73 11.386 9.558 -7.145 1.00 32.02 C ATOM 1213 CD1 LEU A 73 10.459 10.331 -8.080 1.00 12.40 C ATOM 1214 CD2 LEU A 73 11.385 10.188 -5.754 1.00 45.05 C ATOM 0 H LEU A 73 10.935 5.563 -7.268 1.00 62.04 H new ATOM 0 HA LEU A 73 12.904 7.496 -6.324 1.00 71.05 H new ATOM 0 HB2 LEU A 73 10.961 7.685 -8.115 1.00 70.12 H new ATOM 0 HB3 LEU A 73 9.963 8.004 -6.711 1.00 70.12 H new ATOM 0 HG LEU A 73 12.404 9.611 -7.532 1.00 32.02 H new ATOM 0 HD11 LEU A 73 10.758 11.379 -8.104 1.00 12.40 H new ATOM 0 HD12 LEU A 73 10.523 9.912 -9.084 1.00 12.40 H new ATOM 0 HD13 LEU A 73 9.433 10.254 -7.720 1.00 12.40 H new ATOM 0 HD21 LEU A 73 11.675 11.236 -5.829 1.00 45.05 H new ATOM 0 HD22 LEU A 73 10.386 10.118 -5.323 1.00 45.05 H new ATOM 0 HD23 LEU A 73 12.093 9.661 -5.115 1.00 45.05 H new ATOM 1226 N GLU A 74 12.381 6.780 -3.893 1.00 21.22 N ATOM 1227 CA GLU A 74 12.109 6.681 -2.451 1.00 43.04 C ATOM 1228 C GLU A 74 12.584 7.936 -1.693 1.00 63.30 C ATOM 1229 O GLU A 74 13.782 8.009 -1.330 1.00 38.06 O ATOM 1230 CB GLU A 74 12.792 5.427 -1.888 1.00 63.40 C ATOM 1231 CG GLU A 74 12.323 4.128 -2.539 1.00 1.31 C ATOM 1232 CD GLU A 74 13.181 2.939 -2.150 1.00 10.33 C ATOM 1233 OE1 GLU A 74 13.131 2.522 -0.977 1.00 3.04 O ATOM 1234 OE2 GLU A 74 13.929 2.422 -3.013 1.00 24.35 O ATOM 0 H GLU A 74 13.334 6.529 -4.154 1.00 21.22 H new ATOM 0 HA GLU A 74 11.031 6.607 -2.311 1.00 43.04 H new ATOM 0 HB2 GLU A 74 13.870 5.521 -2.020 1.00 63.40 H new ATOM 0 HB3 GLU A 74 12.606 5.373 -0.815 1.00 63.40 H new ATOM 0 HG2 GLU A 74 11.289 3.935 -2.253 1.00 1.31 H new ATOM 0 HG3 GLU A 74 12.337 4.243 -3.623 1.00 1.31 H new TER 1241 GLU A 74