USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 836 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 51 THR OG1 : rot -115:sc= 0.0136 USER MOD Set 1.2: A 82 THR OG1 : rot -1:sc= -1.19 USER MOD Set 2.1: A 23 ASN : amide:sc= -2.95 K(o=-7.3,f=-15!) USER MOD Set 2.2: A 28 THR OG1 : rot -128:sc= -4.37! USER MOD Set 3.1: A 19 SER OG : rot 90:sc= 0.342 USER MOD Set 3.2: A 103 GLN : amide:sc= -3.59! K(o=-3.2!,f=-1.4) USER MOD Set 4.1: A 5 ASN : amide:sc= -3.63 K(o=-4.2,f=-2.2!) USER MOD Set 4.2: A 78 SER OG : rot 180:sc= -0.528 USER MOD Single : A 1 LEU N :NH3+ -130:sc= 0 (180deg=-0.413) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 176:sc= -0.827 (180deg=-0.861) USER MOD Single : A 10 LYS NZ :NH3+ -143:sc= -2.67! (180deg=-6.55!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -1.18 USER MOD Single : A 27 CYS SG : rot -148:sc= -10! USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 36 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD Single : A 37 TYR OH : rot -104:sc= 1.21 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 157:sc= 1.27 (180deg=1.17) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.245) USER MOD Single : A 54 ASN : amide:sc= -0.494 X(o=-0.49,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 CYS SG : rot 102:sc= 1.31 USER MOD Single : A 67 TYR OH : rot -120:sc= -0.566 USER MOD Single : A 71 LYS NZ :NH3+ -159:sc= 0.328 (180deg=-0.0493) USER MOD Single : A 74 ASN : amide:sc= 0.171 K(o=0.17,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 175:sc= -0.728 (180deg=-0.982) USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 0.266 (180deg=0.253) USER MOD Single : A 88 SER OG : rot 42:sc= 0.754 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.193 USER MOD Single : A 102 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.058) USER MOD Single : A 104 TYR OH : rot -113:sc= 0.423 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.456 -10.044 -14.177 1.00 0.00 N ATOM 2 CA LEU A 1 -1.116 -9.090 -13.089 1.00 0.00 C ATOM 3 C LEU A 1 -0.724 -7.728 -13.649 1.00 0.00 C ATOM 4 O LEU A 1 0.400 -7.539 -14.117 1.00 0.00 O ATOM 5 CB LEU A 1 0.035 -9.676 -12.269 1.00 0.00 C ATOM 6 CG LEU A 1 -0.378 -10.700 -11.210 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.207 -12.116 -11.740 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.430 -10.506 -9.935 1.00 0.00 C ATOM 0 H1 LEU A 1 -2.371 -10.494 -13.971 1.00 0.00 H new ATOM 0 H2 LEU A 1 -1.517 -9.533 -15.080 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.718 -10.774 -14.242 1.00 0.00 H new ATOM 0 HA LEU A 1 -1.992 -8.943 -12.457 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.743 -10.147 -12.951 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.562 -8.859 -11.776 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.431 -10.546 -10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.506 -12.830 -10.973 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.830 -12.251 -12.624 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.838 -12.282 -12.003 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.122 -11.243 -9.193 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.490 -10.632 -10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.257 -9.504 -9.543 1.00 0.00 H new ATOM 22 N GLU A 2 -1.655 -6.783 -13.600 1.00 0.00 N ATOM 23 CA GLU A 2 -1.404 -5.437 -14.103 1.00 0.00 C ATOM 24 C GLU A 2 -0.586 -4.628 -13.106 1.00 0.00 C ATOM 25 O GLU A 2 -0.577 -4.924 -11.912 1.00 0.00 O ATOM 26 CB GLU A 2 -2.726 -4.715 -14.384 1.00 0.00 C ATOM 27 CG GLU A 2 -2.710 -3.892 -15.661 1.00 0.00 C ATOM 28 CD GLU A 2 -3.153 -4.686 -16.874 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.377 -4.849 -17.062 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.276 -5.144 -17.635 1.00 0.00 O ATOM 0 H GLU A 2 -2.590 -6.923 -13.217 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.839 -5.528 -15.031 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.527 -5.452 -14.447 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.959 -4.062 -13.543 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.363 -3.028 -15.539 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.703 -3.510 -15.830 1.00 0.00 H new ATOM 37 N LYS A 3 0.088 -3.597 -13.600 1.00 0.00 N ATOM 38 CA LYS A 3 0.893 -2.738 -12.744 1.00 0.00 C ATOM 39 C LYS A 3 0.938 -1.317 -13.290 1.00 0.00 C ATOM 40 O LYS A 3 1.245 -1.098 -14.461 1.00 0.00 O ATOM 41 CB LYS A 3 2.321 -3.274 -12.606 1.00 0.00 C ATOM 42 CG LYS A 3 2.399 -4.766 -12.332 1.00 0.00 C ATOM 43 CD LYS A 3 3.845 -5.235 -12.267 1.00 0.00 C ATOM 44 CE LYS A 3 4.031 -6.345 -11.244 1.00 0.00 C ATOM 45 NZ LYS A 3 4.324 -7.654 -11.890 1.00 0.00 N ATOM 0 H LYS A 3 0.093 -3.337 -14.586 1.00 0.00 H new ATOM 0 HA LYS A 3 0.423 -2.730 -11.760 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.870 -3.054 -13.522 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.822 -2.740 -11.798 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.897 -4.993 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.871 -5.311 -13.115 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.157 -5.589 -13.249 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.489 -4.394 -12.012 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.846 -6.083 -10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.130 -6.434 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.444 -8.383 -11.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.535 -7.917 -12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.198 -7.578 -12.449 1.00 0.00 H new ATOM 59 N PHE A 4 0.649 -0.355 -12.425 1.00 0.00 N ATOM 60 CA PHE A 4 0.673 1.048 -12.802 1.00 0.00 C ATOM 61 C PHE A 4 1.327 1.863 -11.696 1.00 0.00 C ATOM 62 O PHE A 4 1.571 1.350 -10.606 1.00 0.00 O ATOM 63 CB PHE A 4 -0.743 1.562 -13.094 1.00 0.00 C ATOM 64 CG PHE A 4 -1.599 1.737 -11.870 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.183 0.644 -11.253 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.821 2.997 -11.340 1.00 0.00 C ATOM 67 CE1 PHE A 4 -2.974 0.803 -10.132 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.611 3.161 -10.221 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.187 2.063 -9.615 1.00 0.00 C ATOM 0 H PHE A 4 0.394 -0.524 -11.452 1.00 0.00 H new ATOM 0 HA PHE A 4 1.258 1.157 -13.715 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.671 2.518 -13.613 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.237 0.867 -13.773 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.018 -0.345 -11.653 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.371 3.860 -11.808 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.425 -0.058 -9.661 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.779 4.149 -9.819 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.803 2.191 -8.737 1.00 0.00 H new ATOM 79 N ASN A 5 1.618 3.127 -11.973 1.00 0.00 N ATOM 80 CA ASN A 5 2.258 3.982 -10.981 1.00 0.00 C ATOM 81 C ASN A 5 1.287 5.025 -10.447 1.00 0.00 C ATOM 82 O ASN A 5 0.547 5.651 -11.205 1.00 0.00 O ATOM 83 CB ASN A 5 3.485 4.669 -11.588 1.00 0.00 C ATOM 84 CG ASN A 5 4.760 4.345 -10.835 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.793 4.054 -11.438 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.694 4.394 -9.509 1.00 0.00 N ATOM 0 H ASN A 5 1.424 3.580 -12.866 1.00 0.00 H new ATOM 0 HA ASN A 5 2.575 3.354 -10.148 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.593 4.362 -12.628 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.331 5.748 -11.589 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.521 4.186 -8.949 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.817 4.640 -9.051 1.00 0.00 H new ATOM 93 N VAL A 6 1.301 5.206 -9.132 1.00 0.00 N ATOM 94 CA VAL A 6 0.432 6.174 -8.482 1.00 0.00 C ATOM 95 C VAL A 6 1.254 7.272 -7.827 1.00 0.00 C ATOM 96 O VAL A 6 1.892 7.051 -6.800 1.00 0.00 O ATOM 97 CB VAL A 6 -0.445 5.506 -7.407 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.536 6.454 -6.934 1.00 0.00 C ATOM 99 CG2 VAL A 6 -1.035 4.208 -7.926 1.00 0.00 C ATOM 0 H VAL A 6 1.908 4.692 -8.494 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.211 6.600 -9.253 1.00 0.00 H new ATOM 0 HB VAL A 6 0.186 5.269 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.143 5.960 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.081 7.349 -6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.167 6.733 -7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.651 3.753 -7.151 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.649 4.412 -8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.230 3.525 -8.197 1.00 0.00 H new ATOM 109 N ASP A 7 1.236 8.456 -8.419 1.00 0.00 N ATOM 110 CA ASP A 7 1.989 9.573 -7.875 1.00 0.00 C ATOM 111 C ASP A 7 1.053 10.626 -7.298 1.00 0.00 C ATOM 112 O ASP A 7 0.144 11.101 -7.980 1.00 0.00 O ATOM 113 CB ASP A 7 2.865 10.201 -8.961 1.00 0.00 C ATOM 114 CG ASP A 7 2.088 10.505 -10.226 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.467 11.586 -10.295 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.100 9.663 -11.148 1.00 0.00 O ATOM 0 H ASP A 7 0.713 8.667 -9.269 1.00 0.00 H new ATOM 0 HA ASP A 7 2.625 9.195 -7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.308 11.121 -8.580 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.687 9.525 -9.196 1.00 0.00 H new ATOM 121 N LEU A 8 1.288 11.006 -6.046 1.00 0.00 N ATOM 122 CA LEU A 8 0.467 12.022 -5.404 1.00 0.00 C ATOM 123 C LEU A 8 1.286 12.816 -4.401 1.00 0.00 C ATOM 124 O LEU A 8 2.295 12.339 -3.894 1.00 0.00 O ATOM 125 CB LEU A 8 -0.786 11.421 -4.734 1.00 0.00 C ATOM 126 CG LEU A 8 -0.584 10.225 -3.786 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.248 9.131 -4.434 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.031 10.666 -2.463 1.00 0.00 C ATOM 0 H LEU A 8 2.034 10.629 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 8 0.119 12.697 -6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.280 12.214 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.473 11.113 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.569 9.809 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.369 8.304 -3.735 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.255 8.775 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.228 9.528 -4.700 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.161 9.799 -1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.000 11.129 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.628 11.386 -1.978 1.00 0.00 H new ATOM 140 N MET A 9 0.858 14.035 -4.127 1.00 0.00 N ATOM 141 CA MET A 9 1.570 14.886 -3.190 1.00 0.00 C ATOM 142 C MET A 9 1.454 14.346 -1.774 1.00 0.00 C ATOM 143 O MET A 9 0.368 14.310 -1.198 1.00 0.00 O ATOM 144 CB MET A 9 1.038 16.314 -3.263 1.00 0.00 C ATOM 145 CG MET A 9 1.849 17.206 -4.187 1.00 0.00 C ATOM 146 SD MET A 9 2.797 18.458 -3.301 1.00 0.00 S ATOM 147 CE MET A 9 4.437 17.741 -3.367 1.00 0.00 C ATOM 0 H MET A 9 0.025 14.457 -4.538 1.00 0.00 H new ATOM 0 HA MET A 9 2.625 14.892 -3.465 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.003 16.293 -3.605 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.034 16.746 -2.262 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.530 16.589 -4.773 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.177 17.697 -4.891 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.154 18.431 -2.922 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.446 16.802 -2.814 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.710 17.553 -4.405 1.00 0.00 H new ATOM 157 N LYS A 10 2.582 13.918 -1.225 1.00 0.00 N ATOM 158 CA LYS A 10 2.606 13.370 0.120 1.00 0.00 C ATOM 159 C LYS A 10 3.063 14.403 1.135 1.00 0.00 C ATOM 160 O LYS A 10 3.981 15.182 0.884 1.00 0.00 O ATOM 161 CB LYS A 10 3.517 12.145 0.184 1.00 0.00 C ATOM 162 CG LYS A 10 2.774 10.880 0.566 1.00 0.00 C ATOM 163 CD LYS A 10 2.507 10.837 2.066 1.00 0.00 C ATOM 164 CE LYS A 10 2.820 9.478 2.668 1.00 0.00 C ATOM 165 NZ LYS A 10 3.726 9.587 3.845 1.00 0.00 N ATOM 0 H LYS A 10 3.489 13.940 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 10 1.587 13.074 0.370 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.994 12.002 -0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.312 12.326 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.830 10.830 0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.358 10.008 0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.108 11.599 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.462 11.083 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.892 8.992 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.282 8.844 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.388 8.785 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.261 10.477 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.163 9.576 4.719 1.00 0.00 H new ATOM 179 N LYS A 11 2.419 14.384 2.290 1.00 0.00 N ATOM 180 CA LYS A 11 2.755 15.304 3.369 1.00 0.00 C ATOM 181 C LYS A 11 3.003 14.535 4.662 1.00 0.00 C ATOM 182 O LYS A 11 2.218 14.610 5.606 1.00 0.00 O ATOM 183 CB LYS A 11 1.638 16.328 3.571 1.00 0.00 C ATOM 184 CG LYS A 11 1.089 16.895 2.271 1.00 0.00 C ATOM 185 CD LYS A 11 2.129 17.732 1.543 1.00 0.00 C ATOM 186 CE LYS A 11 1.619 18.196 0.186 1.00 0.00 C ATOM 187 NZ LYS A 11 1.365 19.662 0.161 1.00 0.00 N ATOM 0 H LYS A 11 1.658 13.740 2.507 1.00 0.00 H new ATOM 0 HA LYS A 11 3.666 15.836 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.824 15.861 4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.014 17.147 4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.762 16.079 1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.211 17.506 2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.391 18.598 2.150 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.040 17.148 1.411 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.348 17.941 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.699 17.664 -0.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.019 19.938 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.650 19.903 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.248 20.171 0.368 1.00 0.00 H new ATOM 201 N ALA A 12 4.104 13.790 4.691 1.00 0.00 N ATOM 202 CA ALA A 12 4.467 12.997 5.861 1.00 0.00 C ATOM 203 C ALA A 12 3.337 12.052 6.262 1.00 0.00 C ATOM 204 O ALA A 12 3.252 11.627 7.415 1.00 0.00 O ATOM 205 CB ALA A 12 4.833 13.908 7.022 1.00 0.00 C ATOM 0 H ALA A 12 4.762 13.719 3.915 1.00 0.00 H new ATOM 0 HA ALA A 12 5.334 12.390 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.102 13.303 7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.679 14.534 6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.981 14.540 7.271 1.00 0.00 H new ATOM 211 N GLY A 13 2.472 11.725 5.306 1.00 0.00 N ATOM 212 CA GLY A 13 1.362 10.831 5.582 1.00 0.00 C ATOM 213 C GLY A 13 0.132 11.565 6.079 1.00 0.00 C ATOM 214 O GLY A 13 0.141 12.136 7.170 1.00 0.00 O ATOM 0 H GLY A 13 2.520 12.063 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.110 10.280 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.668 10.097 6.327 1.00 0.00 H new ATOM 218 N LYS A 14 -0.930 11.551 5.278 1.00 0.00 N ATOM 219 CA LYS A 14 -2.173 12.220 5.644 1.00 0.00 C ATOM 220 C LYS A 14 -3.344 11.695 4.807 1.00 0.00 C ATOM 221 O LYS A 14 -3.962 10.688 5.150 1.00 0.00 O ATOM 222 CB LYS A 14 -2.034 13.735 5.473 1.00 0.00 C ATOM 223 CG LYS A 14 -1.171 14.145 4.292 1.00 0.00 C ATOM 224 CD LYS A 14 -1.590 15.500 3.744 1.00 0.00 C ATOM 225 CE LYS A 14 -1.428 16.598 4.783 1.00 0.00 C ATOM 226 NZ LYS A 14 -2.738 17.180 5.187 1.00 0.00 N ATOM 0 H LYS A 14 -0.954 11.084 4.372 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.379 12.003 6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.026 14.170 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.609 14.156 6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.126 14.182 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.246 13.394 3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.991 15.739 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.630 15.456 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.924 16.195 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.789 17.385 4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.583 17.925 5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.208 17.588 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.339 16.434 5.593 1.00 0.00 H new ATOM 240 N GLU A 15 -3.638 12.385 3.707 1.00 0.00 N ATOM 241 CA GLU A 15 -4.718 12.008 2.813 1.00 0.00 C ATOM 242 C GLU A 15 -4.405 10.712 2.061 1.00 0.00 C ATOM 243 O GLU A 15 -5.250 10.199 1.333 1.00 0.00 O ATOM 244 CB GLU A 15 -5.016 13.145 1.838 1.00 0.00 C ATOM 245 CG GLU A 15 -6.057 14.124 2.355 1.00 0.00 C ATOM 246 CD GLU A 15 -6.121 15.396 1.532 1.00 0.00 C ATOM 247 OE1 GLU A 15 -5.831 15.334 0.320 1.00 0.00 O ATOM 248 OE2 GLU A 15 -6.460 16.455 2.102 1.00 0.00 O ATOM 0 H GLU A 15 -3.131 13.221 3.415 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.605 11.822 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.093 13.685 1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.361 12.723 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.035 13.644 2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.830 14.377 3.391 1.00 0.00 H new ATOM 255 N LEU A 16 -3.189 10.185 2.224 1.00 0.00 N ATOM 256 CA LEU A 16 -2.804 8.949 1.541 1.00 0.00 C ATOM 257 C LEU A 16 -3.922 7.916 1.669 1.00 0.00 C ATOM 258 O LEU A 16 -4.146 7.109 0.767 1.00 0.00 O ATOM 259 CB LEU A 16 -1.508 8.394 2.138 1.00 0.00 C ATOM 260 CG LEU A 16 -0.446 7.993 1.116 1.00 0.00 C ATOM 261 CD1 LEU A 16 0.102 9.221 0.412 1.00 0.00 C ATOM 262 CD2 LEU A 16 0.675 7.211 1.787 1.00 0.00 C ATOM 0 H LEU A 16 -2.463 10.589 2.815 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.637 9.167 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.083 9.143 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.750 7.524 2.748 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.910 7.348 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.858 8.918 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.708 9.737 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.551 9.891 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.422 6.934 1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.140 7.829 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.267 6.310 2.244 1.00 0.00 H new ATOM 274 N GLY A 17 -4.638 7.992 2.791 1.00 0.00 N ATOM 275 CA GLY A 17 -5.767 7.113 3.059 1.00 0.00 C ATOM 276 C GLY A 17 -5.749 5.797 2.300 1.00 0.00 C ATOM 277 O GLY A 17 -6.680 5.495 1.554 1.00 0.00 O ATOM 0 H GLY A 17 -4.449 8.664 3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.796 6.899 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.687 7.644 2.815 1.00 0.00 H new ATOM 281 N LEU A 18 -4.707 5.005 2.506 1.00 0.00 N ATOM 282 CA LEU A 18 -4.603 3.708 1.854 1.00 0.00 C ATOM 283 C LEU A 18 -4.070 2.666 2.831 1.00 0.00 C ATOM 284 O LEU A 18 -2.868 2.582 3.076 1.00 0.00 O ATOM 285 CB LEU A 18 -3.714 3.795 0.610 1.00 0.00 C ATOM 286 CG LEU A 18 -2.296 4.321 0.849 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.309 3.173 0.977 1.00 0.00 C ATOM 288 CD2 LEU A 18 -1.878 5.251 -0.279 1.00 0.00 C ATOM 0 H LEU A 18 -3.924 5.237 3.117 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.599 3.401 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.644 2.803 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.203 4.439 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.294 4.881 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.308 3.571 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.595 2.540 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.315 2.584 0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.868 5.616 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.900 4.709 -1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.566 6.095 -0.328 1.00 0.00 H new ATOM 300 N SER A 19 -4.980 1.878 3.396 1.00 0.00 N ATOM 301 CA SER A 19 -4.604 0.846 4.353 1.00 0.00 C ATOM 302 C SER A 19 -3.836 -0.274 3.660 1.00 0.00 C ATOM 303 O SER A 19 -4.372 -0.962 2.789 1.00 0.00 O ATOM 304 CB SER A 19 -5.849 0.290 5.050 1.00 0.00 C ATOM 305 OG SER A 19 -5.630 -1.027 5.525 1.00 0.00 O ATOM 0 H SER A 19 -5.981 1.935 3.207 1.00 0.00 H new ATOM 0 HA SER A 19 -3.954 1.292 5.105 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.122 0.938 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.689 0.293 4.355 1.00 0.00 H new ATOM 0 HG SER A 19 -5.279 -0.991 6.439 1.00 0.00 H new ATOM 311 N LEU A 20 -2.575 -0.438 4.041 1.00 0.00 N ATOM 312 CA LEU A 20 -1.720 -1.457 3.446 1.00 0.00 C ATOM 313 C LEU A 20 -1.634 -2.709 4.313 1.00 0.00 C ATOM 314 O LEU A 20 -1.945 -2.682 5.503 1.00 0.00 O ATOM 315 CB LEU A 20 -0.317 -0.890 3.220 1.00 0.00 C ATOM 316 CG LEU A 20 -0.260 0.321 2.288 1.00 0.00 C ATOM 317 CD1 LEU A 20 1.182 0.732 2.027 1.00 0.00 C ATOM 318 CD2 LEU A 20 -0.981 0.015 0.984 1.00 0.00 C ATOM 0 H LEU A 20 -2.121 0.124 4.761 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.165 -1.743 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.106 -0.609 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.317 -1.677 2.810 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.764 1.157 2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.200 1.595 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.663 0.991 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.718 -0.096 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.933 0.885 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.504 -0.834 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.023 -0.226 1.192 1.00 0.00 H new ATOM 330 N SER A 21 -1.202 -3.808 3.696 1.00 0.00 N ATOM 331 CA SER A 21 -1.060 -5.081 4.393 1.00 0.00 C ATOM 332 C SER A 21 0.316 -5.691 4.116 1.00 0.00 C ATOM 333 O SER A 21 1.029 -5.243 3.218 1.00 0.00 O ATOM 334 CB SER A 21 -2.168 -6.047 3.961 1.00 0.00 C ATOM 335 OG SER A 21 -2.802 -6.631 5.086 1.00 0.00 O ATOM 0 H SER A 21 -0.944 -3.840 2.710 1.00 0.00 H new ATOM 0 HA SER A 21 -1.149 -4.903 5.465 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.905 -5.515 3.360 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.747 -6.830 3.330 1.00 0.00 H new ATOM 0 HG SER A 21 -3.506 -7.242 4.784 1.00 0.00 H new ATOM 341 N PRO A 22 0.716 -6.711 4.894 1.00 0.00 N ATOM 342 CA PRO A 22 2.018 -7.364 4.736 1.00 0.00 C ATOM 343 C PRO A 22 2.033 -8.434 3.645 1.00 0.00 C ATOM 344 O PRO A 22 1.615 -9.570 3.872 1.00 0.00 O ATOM 345 CB PRO A 22 2.236 -8.003 6.106 1.00 0.00 C ATOM 346 CG PRO A 22 0.865 -8.339 6.584 1.00 0.00 C ATOM 347 CD PRO A 22 -0.061 -7.299 6.003 1.00 0.00 C ATOM 0 HA PRO A 22 2.790 -6.658 4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.860 -8.894 6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.737 -7.317 6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.576 -9.339 6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.822 -8.331 7.673 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.990 -7.745 5.647 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.332 -6.547 6.744 1.00 0.00 H new ATOM 355 N ASN A 23 2.522 -8.066 2.463 1.00 0.00 N ATOM 356 CA ASN A 23 2.598 -8.992 1.343 1.00 0.00 C ATOM 357 C ASN A 23 4.039 -9.411 1.065 1.00 0.00 C ATOM 358 O ASN A 23 4.983 -8.769 1.522 1.00 0.00 O ATOM 359 CB ASN A 23 1.984 -8.367 0.095 1.00 0.00 C ATOM 360 CG ASN A 23 0.512 -8.646 0.002 1.00 0.00 C ATOM 361 OD1 ASN A 23 -0.298 -8.022 0.687 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.157 -9.592 -0.841 1.00 0.00 N ATOM 0 H ASN A 23 2.872 -7.130 2.259 1.00 0.00 H new ATOM 0 HA ASN A 23 2.032 -9.884 1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.150 -7.290 0.108 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.485 -8.756 -0.791 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.827 -9.836 -0.948 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.866 -10.081 -1.387 1.00 0.00 H new ATOM 369 N GLU A 24 4.193 -10.500 0.319 1.00 0.00 N ATOM 370 CA GLU A 24 5.513 -11.020 -0.020 1.00 0.00 C ATOM 371 C GLU A 24 6.201 -10.151 -1.068 1.00 0.00 C ATOM 372 O GLU A 24 7.398 -9.879 -0.977 1.00 0.00 O ATOM 373 CB GLU A 24 5.393 -12.453 -0.545 1.00 0.00 C ATOM 374 CG GLU A 24 4.618 -12.558 -1.849 1.00 0.00 C ATOM 375 CD GLU A 24 4.353 -13.994 -2.256 1.00 0.00 C ATOM 376 OE1 GLU A 24 3.855 -14.768 -1.412 1.00 0.00 O ATOM 377 OE2 GLU A 24 4.642 -14.344 -3.419 1.00 0.00 O ATOM 0 H GLU A 24 3.417 -11.041 -0.063 1.00 0.00 H new ATOM 0 HA GLU A 24 6.118 -11.009 0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.392 -12.863 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.904 -13.068 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.669 -12.032 -1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.176 -12.057 -2.640 1.00 0.00 H new ATOM 384 N ILE A 25 5.438 -9.731 -2.067 1.00 0.00 N ATOM 385 CA ILE A 25 5.971 -8.906 -3.147 1.00 0.00 C ATOM 386 C ILE A 25 5.800 -7.416 -2.862 1.00 0.00 C ATOM 387 O ILE A 25 6.308 -6.572 -3.602 1.00 0.00 O ATOM 388 CB ILE A 25 5.293 -9.249 -4.485 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.793 -8.929 -4.424 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.526 -10.717 -4.815 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.974 -9.616 -5.498 1.00 0.00 C ATOM 0 H ILE A 25 4.445 -9.948 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 25 7.037 -9.124 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 25 5.731 -8.640 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.409 -9.220 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.658 -7.851 -4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.045 -10.958 -5.763 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.596 -10.907 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.104 -11.339 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.925 -9.340 -5.388 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.330 -9.306 -6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.077 -10.697 -5.399 1.00 0.00 H new ATOM 403 N GLY A 26 5.087 -7.096 -1.789 1.00 0.00 N ATOM 404 CA GLY A 26 4.870 -5.708 -1.430 1.00 0.00 C ATOM 405 C GLY A 26 3.866 -5.567 -0.308 1.00 0.00 C ATOM 406 O GLY A 26 3.976 -6.235 0.718 1.00 0.00 O ATOM 0 H GLY A 26 4.655 -7.774 -1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.816 -5.258 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.519 -5.158 -2.303 1.00 0.00 H new ATOM 410 N CYS A 27 2.884 -4.697 -0.503 1.00 0.00 N ATOM 411 CA CYS A 27 1.856 -4.483 0.509 1.00 0.00 C ATOM 412 C CYS A 27 0.481 -4.307 -0.125 1.00 0.00 C ATOM 413 O CYS A 27 0.182 -3.264 -0.708 1.00 0.00 O ATOM 414 CB CYS A 27 2.201 -3.263 1.367 1.00 0.00 C ATOM 415 SG CYS A 27 2.390 -1.730 0.430 1.00 0.00 S ATOM 0 H CYS A 27 2.777 -4.132 -1.345 1.00 0.00 H new ATOM 0 HA CYS A 27 1.823 -5.368 1.144 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.419 -3.125 2.114 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.127 -3.462 1.907 1.00 0.00 H new ATOM 0 HG CYS A 27 3.274 -0.974 1.009 1.00 0.00 H new ATOM 421 N THR A 28 -0.357 -5.332 0.000 1.00 0.00 N ATOM 422 CA THR A 28 -1.706 -5.289 -0.553 1.00 0.00 C ATOM 423 C THR A 28 -2.571 -4.302 0.219 1.00 0.00 C ATOM 424 O THR A 28 -2.590 -4.311 1.449 1.00 0.00 O ATOM 425 CB THR A 28 -2.348 -6.679 -0.511 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.632 -7.587 -1.327 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.792 -6.691 -0.969 1.00 0.00 C ATOM 0 H THR A 28 -0.125 -6.202 0.479 1.00 0.00 H new ATOM 0 HA THR A 28 -1.635 -4.961 -1.590 1.00 0.00 H new ATOM 0 HB THR A 28 -2.315 -6.977 0.537 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.252 -8.034 -1.940 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.183 -7.707 -0.913 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.383 -6.039 -0.326 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.850 -6.336 -1.998 1.00 0.00 H new ATOM 435 N ILE A 29 -3.295 -3.459 -0.507 1.00 0.00 N ATOM 436 CA ILE A 29 -4.166 -2.481 0.122 1.00 0.00 C ATOM 437 C ILE A 29 -5.345 -3.176 0.789 1.00 0.00 C ATOM 438 O ILE A 29 -6.275 -3.623 0.119 1.00 0.00 O ATOM 439 CB ILE A 29 -4.694 -1.454 -0.897 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.535 -0.833 -1.679 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.504 -0.372 -0.193 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.974 -0.103 -2.930 1.00 0.00 C ATOM 0 H ILE A 29 -3.295 -3.435 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.575 -1.953 0.871 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.348 -1.970 -1.601 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.001 -0.138 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.831 -1.618 -1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.869 0.345 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.350 -0.828 0.321 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.873 0.141 0.532 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.101 0.312 -3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.482 -0.799 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.655 0.704 -2.660 1.00 0.00 H new ATOM 454 N ALA A 30 -5.299 -3.267 2.112 1.00 0.00 N ATOM 455 CA ALA A 30 -6.362 -3.910 2.867 1.00 0.00 C ATOM 456 C ALA A 30 -7.623 -3.052 2.873 1.00 0.00 C ATOM 457 O ALA A 30 -8.730 -3.562 3.039 1.00 0.00 O ATOM 458 CB ALA A 30 -5.900 -4.202 4.287 1.00 0.00 C ATOM 0 H ALA A 30 -4.536 -2.903 2.683 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.604 -4.855 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.706 -4.683 4.840 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.034 -4.863 4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.628 -3.269 4.780 1.00 0.00 H new ATOM 464 N ASP A 31 -7.448 -1.747 2.683 1.00 0.00 N ATOM 465 CA ASP A 31 -8.573 -0.820 2.657 1.00 0.00 C ATOM 466 C ASP A 31 -8.171 0.497 2.012 1.00 0.00 C ATOM 467 O ASP A 31 -6.986 0.795 1.867 1.00 0.00 O ATOM 468 CB ASP A 31 -9.091 -0.558 4.072 1.00 0.00 C ATOM 469 CG ASP A 31 -10.295 -1.411 4.415 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.104 -2.575 4.827 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.433 -0.914 4.273 1.00 0.00 O ATOM 0 H ASP A 31 -6.537 -1.309 2.545 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.367 -1.277 2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.294 -0.754 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.356 0.495 4.170 1.00 0.00 H new ATOM 476 N LEU A 32 -9.167 1.284 1.629 1.00 0.00 N ATOM 477 CA LEU A 32 -8.920 2.564 1.005 1.00 0.00 C ATOM 478 C LEU A 32 -10.027 3.559 1.326 1.00 0.00 C ATOM 479 O LEU A 32 -11.204 3.300 1.076 1.00 0.00 O ATOM 480 CB LEU A 32 -8.786 2.394 -0.506 1.00 0.00 C ATOM 481 CG LEU A 32 -7.522 3.006 -1.089 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.750 1.981 -1.907 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.853 4.229 -1.930 1.00 0.00 C ATOM 0 H LEU A 32 -10.154 1.052 1.743 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.987 2.960 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.806 1.331 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.652 2.845 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.888 3.324 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.850 2.443 -2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.471 1.142 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.375 1.623 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.934 4.650 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.513 3.940 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.350 4.974 -1.309 1.00 0.00 H new ATOM 495 N ILE A 33 -9.632 4.701 1.870 1.00 0.00 N ATOM 496 CA ILE A 33 -10.580 5.747 2.217 1.00 0.00 C ATOM 497 C ILE A 33 -10.654 6.783 1.102 1.00 0.00 C ATOM 498 O ILE A 33 -9.786 7.647 0.979 1.00 0.00 O ATOM 499 CB ILE A 33 -10.203 6.441 3.541 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.746 6.911 3.519 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.453 5.521 4.716 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.245 7.401 4.860 1.00 0.00 C ATOM 0 H ILE A 33 -8.660 4.926 2.080 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.554 5.275 2.345 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.837 7.320 3.654 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.113 6.089 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.643 7.713 2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.181 6.030 5.641 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.508 5.250 4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.850 4.619 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.206 7.717 4.767 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.853 8.244 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.315 6.595 5.591 1.00 0.00 H new ATOM 514 N GLN A 34 -11.690 6.678 0.283 1.00 0.00 N ATOM 515 CA GLN A 34 -11.877 7.593 -0.834 1.00 0.00 C ATOM 516 C GLN A 34 -12.227 8.992 -0.342 1.00 0.00 C ATOM 517 O GLN A 34 -12.754 9.163 0.757 1.00 0.00 O ATOM 518 CB GLN A 34 -12.962 7.063 -1.770 1.00 0.00 C ATOM 519 CG GLN A 34 -12.628 5.702 -2.359 1.00 0.00 C ATOM 520 CD GLN A 34 -13.711 5.183 -3.285 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.874 5.578 -3.181 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.336 4.295 -4.197 1.00 0.00 N ATOM 0 H GLN A 34 -12.416 5.967 0.371 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.939 7.659 -1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.903 6.995 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.114 7.776 -2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.688 5.769 -2.907 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.475 4.988 -1.550 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.362 3.996 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.022 3.912 -4.848 1.00 0.00 H new ATOM 531 N GLY A 35 -11.910 9.994 -1.156 1.00 0.00 N ATOM 532 CA GLY A 35 -12.179 11.369 -0.780 1.00 0.00 C ATOM 533 C GLY A 35 -10.964 12.029 -0.154 1.00 0.00 C ATOM 534 O GLY A 35 -10.848 13.254 -0.139 1.00 0.00 O ATOM 0 H GLY A 35 -11.471 9.878 -2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.486 11.933 -1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.011 11.398 -0.077 1.00 0.00 H new ATOM 538 N GLN A 36 -10.054 11.203 0.358 1.00 0.00 N ATOM 539 CA GLN A 36 -8.832 11.689 0.986 1.00 0.00 C ATOM 540 C GLN A 36 -7.901 12.308 -0.048 1.00 0.00 C ATOM 541 O GLN A 36 -7.403 13.416 0.140 1.00 0.00 O ATOM 542 CB GLN A 36 -8.140 10.539 1.720 1.00 0.00 C ATOM 543 CG GLN A 36 -8.539 10.419 3.181 1.00 0.00 C ATOM 544 CD GLN A 36 -10.040 10.330 3.370 1.00 0.00 C ATOM 545 OE1 GLN A 36 -10.684 9.399 2.885 1.00 0.00 O ATOM 546 NE2 GLN A 36 -10.608 11.299 4.078 1.00 0.00 N ATOM 0 H GLN A 36 -10.143 10.187 0.349 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.090 12.465 1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.372 9.603 1.211 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.061 10.677 1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.069 9.534 3.610 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.158 11.280 3.730 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.037 12.052 4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.615 11.290 4.238 1.00 0.00 H new ATOM 555 N TYR A 37 -7.680 11.598 -1.143 1.00 0.00 N ATOM 556 CA TYR A 37 -6.819 12.095 -2.204 1.00 0.00 C ATOM 557 C TYR A 37 -7.430 11.801 -3.572 1.00 0.00 C ATOM 558 O TYR A 37 -7.989 10.728 -3.794 1.00 0.00 O ATOM 559 CB TYR A 37 -5.427 11.469 -2.099 1.00 0.00 C ATOM 560 CG TYR A 37 -4.413 12.308 -1.342 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.415 13.698 -1.420 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.433 11.701 -0.565 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.469 14.452 -0.750 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.490 12.448 0.111 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.509 13.824 0.013 1.00 0.00 C ATOM 566 OH TYR A 37 -1.567 14.572 0.680 1.00 0.00 O ATOM 0 H TYR A 37 -8.084 10.678 -1.320 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.725 13.175 -2.092 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.515 10.499 -1.609 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.049 11.285 -3.105 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.168 14.196 -2.013 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.409 10.624 -0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.483 15.529 -0.825 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.740 11.958 0.714 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.711 14.517 0.207 1.00 0.00 H new ATOM 576 N PRO A 38 -7.341 12.761 -4.508 1.00 0.00 N ATOM 577 CA PRO A 38 -7.897 12.605 -5.856 1.00 0.00 C ATOM 578 C PRO A 38 -7.152 11.566 -6.688 1.00 0.00 C ATOM 579 O PRO A 38 -7.767 10.750 -7.375 1.00 0.00 O ATOM 580 CB PRO A 38 -7.737 13.997 -6.472 1.00 0.00 C ATOM 581 CG PRO A 38 -6.614 14.619 -5.723 1.00 0.00 C ATOM 582 CD PRO A 38 -6.700 14.076 -4.324 1.00 0.00 C ATOM 0 HA PRO A 38 -8.927 12.250 -5.826 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.515 13.935 -7.537 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.651 14.582 -6.371 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.656 14.372 -6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.697 15.706 -5.726 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.715 13.983 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.291 14.724 -3.677 1.00 0.00 H new ATOM 590 N GLU A 39 -5.825 11.601 -6.627 1.00 0.00 N ATOM 591 CA GLU A 39 -5.005 10.661 -7.383 1.00 0.00 C ATOM 592 C GLU A 39 -5.214 9.236 -6.889 1.00 0.00 C ATOM 593 O GLU A 39 -5.490 8.330 -7.677 1.00 0.00 O ATOM 594 CB GLU A 39 -3.527 11.039 -7.275 1.00 0.00 C ATOM 595 CG GLU A 39 -3.165 12.298 -8.045 1.00 0.00 C ATOM 596 CD GLU A 39 -3.331 13.556 -7.216 1.00 0.00 C ATOM 597 OE1 GLU A 39 -3.090 13.496 -5.992 1.00 0.00 O ATOM 598 OE2 GLU A 39 -3.702 14.602 -7.789 1.00 0.00 O ATOM 0 H GLU A 39 -5.296 12.267 -6.064 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.310 10.712 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.272 11.179 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.921 10.211 -7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.132 12.226 -8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.791 12.368 -8.934 1.00 0.00 H new ATOM 605 N ILE A 40 -5.083 9.040 -5.582 1.00 0.00 N ATOM 606 CA ILE A 40 -5.261 7.721 -4.986 1.00 0.00 C ATOM 607 C ILE A 40 -6.626 7.141 -5.342 1.00 0.00 C ATOM 608 O ILE A 40 -6.730 6.000 -5.789 1.00 0.00 O ATOM 609 CB ILE A 40 -5.114 7.768 -3.454 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.872 8.580 -3.066 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.044 6.355 -2.893 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.419 8.364 -1.638 1.00 0.00 C ATOM 0 H ILE A 40 -4.854 9.777 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.479 7.080 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.987 8.261 -3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.055 8.320 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.082 9.639 -3.214 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.940 6.399 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.957 5.816 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.185 5.836 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.536 8.972 -1.440 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.218 8.652 -0.955 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.176 7.312 -1.489 1.00 0.00 H new ATOM 624 N ASP A 41 -7.670 7.941 -5.148 1.00 0.00 N ATOM 625 CA ASP A 41 -9.028 7.511 -5.458 1.00 0.00 C ATOM 626 C ASP A 41 -9.161 7.191 -6.944 1.00 0.00 C ATOM 627 O ASP A 41 -9.955 6.338 -7.339 1.00 0.00 O ATOM 628 CB ASP A 41 -10.033 8.594 -5.062 1.00 0.00 C ATOM 629 CG ASP A 41 -11.460 8.082 -5.051 1.00 0.00 C ATOM 630 OD1 ASP A 41 -11.715 7.019 -5.655 1.00 0.00 O ATOM 631 OD2 ASP A 41 -12.323 8.745 -4.438 1.00 0.00 O ATOM 0 H ASP A 41 -7.601 8.889 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.241 6.608 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.780 8.977 -4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.955 9.430 -5.757 1.00 0.00 H new ATOM 636 N SER A 42 -8.373 7.885 -7.761 1.00 0.00 N ATOM 637 CA SER A 42 -8.392 7.681 -9.205 1.00 0.00 C ATOM 638 C SER A 42 -7.278 6.732 -9.640 1.00 0.00 C ATOM 639 O SER A 42 -7.103 6.476 -10.831 1.00 0.00 O ATOM 640 CB SER A 42 -8.227 9.018 -9.926 1.00 0.00 C ATOM 641 OG SER A 42 -9.463 9.708 -10.013 1.00 0.00 O ATOM 0 H SER A 42 -7.712 8.595 -7.446 1.00 0.00 H new ATOM 0 HA SER A 42 -9.352 7.237 -9.468 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.500 9.633 -9.396 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.831 8.848 -10.927 1.00 0.00 H new ATOM 0 HG SER A 42 -9.330 10.561 -10.477 1.00 0.00 H new ATOM 647 N LYS A 43 -6.518 6.227 -8.674 1.00 0.00 N ATOM 648 CA LYS A 43 -5.415 5.326 -8.967 1.00 0.00 C ATOM 649 C LYS A 43 -5.504 4.048 -8.143 1.00 0.00 C ATOM 650 O LYS A 43 -5.842 2.986 -8.662 1.00 0.00 O ATOM 651 CB LYS A 43 -4.089 6.036 -8.691 1.00 0.00 C ATOM 652 CG LYS A 43 -3.730 7.069 -9.745 1.00 0.00 C ATOM 653 CD LYS A 43 -2.424 6.739 -10.446 1.00 0.00 C ATOM 654 CE LYS A 43 -2.655 6.359 -11.899 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.435 6.556 -12.728 1.00 0.00 N ATOM 0 H LYS A 43 -6.648 6.428 -7.682 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.472 5.047 -10.019 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.142 6.523 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.293 5.294 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.531 7.129 -10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.652 8.051 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.755 7.598 -10.395 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.929 5.918 -9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.967 5.316 -11.956 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.470 6.958 -12.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.488 5.951 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.370 7.552 -13.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.593 6.302 -12.173 1.00 0.00 H new ATOM 669 N LEU A 44 -5.189 4.160 -6.858 1.00 0.00 N ATOM 670 CA LEU A 44 -5.220 3.010 -5.962 1.00 0.00 C ATOM 671 C LEU A 44 -6.651 2.602 -5.629 1.00 0.00 C ATOM 672 O LEU A 44 -7.552 3.439 -5.568 1.00 0.00 O ATOM 673 CB LEU A 44 -4.454 3.321 -4.677 1.00 0.00 C ATOM 674 CG LEU A 44 -2.981 3.681 -4.880 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.297 3.902 -3.541 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.273 2.594 -5.671 1.00 0.00 C ATOM 0 H LEU A 44 -4.909 5.034 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.741 2.176 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.949 4.147 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.515 2.456 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.927 4.609 -5.449 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.250 4.157 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.790 4.717 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.360 2.991 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.226 2.866 -5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.336 1.650 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.749 2.485 -6.646 1.00 0.00 H new ATOM 688 N GLN A 45 -6.847 1.306 -5.414 1.00 0.00 N ATOM 689 CA GLN A 45 -8.161 0.771 -5.086 1.00 0.00 C ATOM 690 C GLN A 45 -8.031 -0.513 -4.274 1.00 0.00 C ATOM 691 O GLN A 45 -6.991 -1.173 -4.304 1.00 0.00 O ATOM 692 CB GLN A 45 -8.961 0.503 -6.363 1.00 0.00 C ATOM 693 CG GLN A 45 -10.449 0.776 -6.218 1.00 0.00 C ATOM 694 CD GLN A 45 -11.082 1.251 -7.511 1.00 0.00 C ATOM 695 OE1 GLN A 45 -11.693 0.471 -8.239 1.00 0.00 O ATOM 696 NE2 GLN A 45 -10.938 2.539 -7.801 1.00 0.00 N ATOM 0 H GLN A 45 -6.108 0.604 -5.462 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.690 1.511 -4.486 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.563 1.122 -7.167 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.818 -0.536 -6.660 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.951 -0.132 -5.884 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.603 1.528 -5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.423 3.150 -7.167 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.343 2.917 -8.657 1.00 0.00 H new ATOM 705 N ARG A 46 -9.087 -0.861 -3.549 1.00 0.00 N ATOM 706 CA ARG A 46 -9.086 -2.067 -2.728 1.00 0.00 C ATOM 707 C ARG A 46 -8.833 -3.308 -3.580 1.00 0.00 C ATOM 708 O ARG A 46 -9.749 -3.838 -4.209 1.00 0.00 O ATOM 709 CB ARG A 46 -10.417 -2.206 -1.987 1.00 0.00 C ATOM 710 CG ARG A 46 -10.537 -1.296 -0.775 1.00 0.00 C ATOM 711 CD ARG A 46 -11.930 -1.357 -0.168 1.00 0.00 C ATOM 712 NE ARG A 46 -12.396 -0.042 0.267 1.00 0.00 N ATOM 713 CZ ARG A 46 -13.393 0.143 1.129 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.028 -0.897 1.656 1.00 0.00 N ATOM 715 NH2 ARG A 46 -13.754 1.373 1.469 1.00 0.00 N ATOM 0 H ARG A 46 -9.955 -0.326 -3.512 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.280 -1.979 -2.000 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.232 -1.987 -2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.539 -3.241 -1.667 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.800 -1.586 -0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.310 -0.270 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -12.627 -1.765 -0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.925 -2.039 0.682 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.930 0.782 -0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.753 -1.845 1.401 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.791 -0.748 2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.268 2.176 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.518 1.516 2.130 1.00 0.00 H new ATOM 729 N GLY A 47 -7.585 -3.765 -3.595 1.00 0.00 N ATOM 730 CA GLY A 47 -7.235 -4.940 -4.373 1.00 0.00 C ATOM 731 C GLY A 47 -5.981 -4.738 -5.202 1.00 0.00 C ATOM 732 O GLY A 47 -5.943 -5.103 -6.376 1.00 0.00 O ATOM 0 H GLY A 47 -6.810 -3.343 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.090 -5.786 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.065 -5.195 -5.032 1.00 0.00 H new ATOM 736 N ASP A 48 -4.956 -4.155 -4.589 1.00 0.00 N ATOM 737 CA ASP A 48 -3.696 -3.905 -5.281 1.00 0.00 C ATOM 738 C ASP A 48 -2.516 -4.032 -4.326 1.00 0.00 C ATOM 739 O ASP A 48 -2.624 -3.710 -3.144 1.00 0.00 O ATOM 740 CB ASP A 48 -3.707 -2.513 -5.917 1.00 0.00 C ATOM 741 CG ASP A 48 -4.013 -2.556 -7.401 1.00 0.00 C ATOM 742 OD1 ASP A 48 -3.210 -3.144 -8.155 1.00 0.00 O ATOM 743 OD2 ASP A 48 -5.055 -2.000 -7.808 1.00 0.00 O ATOM 0 H ASP A 48 -4.972 -3.847 -3.617 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.586 -4.654 -6.065 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.449 -1.893 -5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.738 -2.039 -5.763 1.00 0.00 H new ATOM 748 N ILE A 49 -1.388 -4.506 -4.846 1.00 0.00 N ATOM 749 CA ILE A 49 -0.187 -4.677 -4.035 1.00 0.00 C ATOM 750 C ILE A 49 0.934 -3.772 -4.524 1.00 0.00 C ATOM 751 O ILE A 49 1.405 -3.909 -5.652 1.00 0.00 O ATOM 752 CB ILE A 49 0.321 -6.134 -4.058 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.849 -7.124 -4.107 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.203 -6.405 -2.848 1.00 0.00 C ATOM 755 CD1 ILE A 49 -0.852 -7.990 -5.347 1.00 0.00 C ATOM 0 H ILE A 49 -1.280 -4.778 -5.823 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.465 -4.412 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 49 0.916 -6.274 -4.961 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.810 -7.764 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.786 -6.570 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.554 -7.436 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.059 -5.730 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.629 -6.243 -1.936 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.706 -8.666 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.921 -7.358 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.069 -8.571 -5.387 1.00 0.00 H new ATOM 767 N ILE A 50 1.373 -2.856 -3.668 1.00 0.00 N ATOM 768 CA ILE A 50 2.451 -1.951 -4.030 1.00 0.00 C ATOM 769 C ILE A 50 3.780 -2.686 -4.009 1.00 0.00 C ATOM 770 O ILE A 50 4.367 -2.905 -2.949 1.00 0.00 O ATOM 771 CB ILE A 50 2.530 -0.740 -3.085 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.165 -0.065 -2.972 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.577 0.250 -3.574 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.867 0.462 -1.591 1.00 0.00 C ATOM 0 H ILE A 50 1.001 -2.723 -2.727 1.00 0.00 H new ATOM 0 HA ILE A 50 2.240 -1.585 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 50 2.825 -1.090 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.115 0.758 -3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.391 -0.779 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.619 1.100 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.551 -0.237 -3.607 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.311 0.597 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.118 0.928 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.884 -0.361 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.620 1.200 -1.313 1.00 0.00 H new ATOM 786 N THR A 51 4.244 -3.071 -5.188 1.00 0.00 N ATOM 787 CA THR A 51 5.504 -3.791 -5.309 1.00 0.00 C ATOM 788 C THR A 51 6.646 -2.842 -5.674 1.00 0.00 C ATOM 789 O THR A 51 7.761 -3.277 -5.958 1.00 0.00 O ATOM 790 CB THR A 51 5.378 -4.900 -6.357 1.00 0.00 C ATOM 791 OG1 THR A 51 5.433 -4.364 -7.666 1.00 0.00 O ATOM 792 CG2 THR A 51 4.093 -5.693 -6.238 1.00 0.00 C ATOM 0 H THR A 51 3.769 -2.898 -6.074 1.00 0.00 H new ATOM 0 HA THR A 51 5.735 -4.240 -4.343 1.00 0.00 H new ATOM 0 HB THR A 51 6.218 -5.569 -6.170 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.576 -4.514 -8.117 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.067 -6.462 -7.010 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.045 -6.163 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.241 -5.025 -6.363 1.00 0.00 H new ATOM 800 N LYS A 52 6.357 -1.545 -5.652 1.00 0.00 N ATOM 801 CA LYS A 52 7.348 -0.523 -5.966 1.00 0.00 C ATOM 802 C LYS A 52 6.980 0.783 -5.274 1.00 0.00 C ATOM 803 O LYS A 52 5.803 1.137 -5.186 1.00 0.00 O ATOM 804 CB LYS A 52 7.444 -0.311 -7.478 1.00 0.00 C ATOM 805 CG LYS A 52 8.744 -0.814 -8.083 1.00 0.00 C ATOM 806 CD LYS A 52 9.345 0.203 -9.043 1.00 0.00 C ATOM 807 CE LYS A 52 10.741 -0.207 -9.486 1.00 0.00 C ATOM 808 NZ LYS A 52 11.350 0.797 -10.400 1.00 0.00 N ATOM 0 H LYS A 52 5.436 -1.175 -5.418 1.00 0.00 H new ATOM 0 HA LYS A 52 8.321 -0.857 -5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.609 -0.818 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.340 0.752 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.457 -1.030 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.562 -1.750 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.701 0.306 -9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.387 1.180 -8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.377 -0.334 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.693 -1.173 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.386 0.754 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.068 0.591 -11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.022 1.749 -10.138 1.00 0.00 H new ATOM 822 N PHE A 53 7.983 1.491 -4.773 1.00 0.00 N ATOM 823 CA PHE A 53 7.745 2.749 -4.078 1.00 0.00 C ATOM 824 C PHE A 53 8.885 3.733 -4.312 1.00 0.00 C ATOM 825 O PHE A 53 9.991 3.553 -3.801 1.00 0.00 O ATOM 826 CB PHE A 53 7.570 2.480 -2.582 1.00 0.00 C ATOM 827 CG PHE A 53 7.315 3.710 -1.762 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.370 4.451 -1.259 1.00 0.00 C ATOM 829 CD2 PHE A 53 6.021 4.118 -1.486 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.141 5.577 -0.496 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.785 5.244 -0.724 1.00 0.00 C ATOM 832 CZ PHE A 53 6.845 5.975 -0.229 1.00 0.00 C ATOM 0 H PHE A 53 8.964 1.218 -4.834 1.00 0.00 H new ATOM 0 HA PHE A 53 6.835 3.199 -4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.741 1.786 -2.444 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.466 1.985 -2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.384 4.144 -1.466 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.188 3.549 -1.871 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.973 6.146 -0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.771 5.553 -0.515 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.662 6.857 0.366 1.00 0.00 H new ATOM 842 N ASN A 54 8.606 4.775 -5.089 1.00 0.00 N ATOM 843 CA ASN A 54 9.604 5.794 -5.397 1.00 0.00 C ATOM 844 C ASN A 54 10.858 5.164 -6.000 1.00 0.00 C ATOM 845 O ASN A 54 11.978 5.434 -5.562 1.00 0.00 O ATOM 846 CB ASN A 54 9.958 6.586 -4.134 1.00 0.00 C ATOM 847 CG ASN A 54 9.503 8.030 -4.212 1.00 0.00 C ATOM 848 OD1 ASN A 54 10.308 8.935 -4.434 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.208 8.253 -4.030 1.00 0.00 N ATOM 0 H ASN A 54 7.695 4.936 -5.518 1.00 0.00 H new ATOM 0 HA ASN A 54 9.181 6.477 -6.134 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.498 6.109 -3.268 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.037 6.555 -3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.844 9.205 -4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.577 7.473 -3.849 1.00 0.00 H new ATOM 856 N GLY A 55 10.662 4.318 -7.005 1.00 0.00 N ATOM 857 CA GLY A 55 11.782 3.659 -7.649 1.00 0.00 C ATOM 858 C GLY A 55 12.446 2.632 -6.750 1.00 0.00 C ATOM 859 O GLY A 55 13.586 2.235 -6.991 1.00 0.00 O ATOM 0 H GLY A 55 9.747 4.077 -7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.437 3.171 -8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.517 4.407 -7.947 1.00 0.00 H new ATOM 863 N ASP A 56 11.732 2.199 -5.716 1.00 0.00 N ATOM 864 CA ASP A 56 12.260 1.212 -4.783 1.00 0.00 C ATOM 865 C ASP A 56 11.327 0.009 -4.687 1.00 0.00 C ATOM 866 O ASP A 56 10.260 0.085 -4.079 1.00 0.00 O ATOM 867 CB ASP A 56 12.453 1.834 -3.400 1.00 0.00 C ATOM 868 CG ASP A 56 13.274 0.952 -2.479 1.00 0.00 C ATOM 869 OD1 ASP A 56 12.857 -0.199 -2.232 1.00 0.00 O ATOM 870 OD2 ASP A 56 14.335 1.413 -2.006 1.00 0.00 O ATOM 0 H ASP A 56 10.786 2.517 -5.504 1.00 0.00 H new ATOM 0 HA ASP A 56 13.227 0.875 -5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.944 2.801 -3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.478 2.019 -2.948 1.00 0.00 H new ATOM 875 N ALA A 57 11.739 -1.099 -5.293 1.00 0.00 N ATOM 876 CA ALA A 57 10.941 -2.320 -5.280 1.00 0.00 C ATOM 877 C ALA A 57 10.651 -2.777 -3.854 1.00 0.00 C ATOM 878 O ALA A 57 11.566 -2.969 -3.054 1.00 0.00 O ATOM 879 CB ALA A 57 11.651 -3.420 -6.053 1.00 0.00 C ATOM 0 H ALA A 57 12.621 -1.177 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 57 9.988 -2.105 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.045 -4.326 -6.036 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.799 -3.102 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.618 -3.622 -5.593 1.00 0.00 H new ATOM 885 N LEU A 58 9.370 -2.952 -3.546 1.00 0.00 N ATOM 886 CA LEU A 58 8.955 -3.394 -2.220 1.00 0.00 C ATOM 887 C LEU A 58 8.741 -4.907 -2.195 1.00 0.00 C ATOM 888 O LEU A 58 7.988 -5.422 -1.368 1.00 0.00 O ATOM 889 CB LEU A 58 7.669 -2.676 -1.797 1.00 0.00 C ATOM 890 CG LEU A 58 7.698 -1.150 -1.936 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.289 -0.595 -2.098 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.379 -0.519 -0.732 1.00 0.00 C ATOM 0 H LEU A 58 8.601 -2.794 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 58 9.748 -3.145 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.843 -3.064 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.457 -2.926 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 58 8.269 -0.901 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.334 0.490 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.831 -1.020 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.692 -0.857 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.391 0.565 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.833 -0.782 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.402 -0.887 -0.658 1.00 0.00 H new ATOM 904 N GLU A 59 9.404 -5.614 -3.107 1.00 0.00 N ATOM 905 CA GLU A 59 9.285 -7.066 -3.193 1.00 0.00 C ATOM 906 C GLU A 59 10.256 -7.758 -2.243 1.00 0.00 C ATOM 907 O GLU A 59 11.463 -7.517 -2.290 1.00 0.00 O ATOM 908 CB GLU A 59 9.539 -7.532 -4.627 1.00 0.00 C ATOM 909 CG GLU A 59 8.760 -8.781 -5.009 1.00 0.00 C ATOM 910 CD GLU A 59 9.145 -9.315 -6.374 1.00 0.00 C ATOM 911 OE1 GLU A 59 9.598 -8.513 -7.218 1.00 0.00 O ATOM 912 OE2 GLU A 59 8.995 -10.534 -6.601 1.00 0.00 O ATOM 0 H GLU A 59 10.031 -5.203 -3.799 1.00 0.00 H new ATOM 0 HA GLU A 59 8.271 -7.337 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.277 -6.727 -5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.604 -7.725 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.930 -9.554 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.693 -8.557 -4.999 1.00 0.00 H new ATOM 919 N GLY A 60 9.722 -8.621 -1.384 1.00 0.00 N ATOM 920 CA GLY A 60 10.554 -9.341 -0.439 1.00 0.00 C ATOM 921 C GLY A 60 10.691 -8.624 0.891 1.00 0.00 C ATOM 922 O GLY A 60 11.028 -9.240 1.902 1.00 0.00 O ATOM 0 H GLY A 60 8.726 -8.834 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.131 -10.331 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.544 -9.487 -0.871 1.00 0.00 H new ATOM 926 N LEU A 61 10.432 -7.320 0.895 1.00 0.00 N ATOM 927 CA LEU A 61 10.533 -6.526 2.113 1.00 0.00 C ATOM 928 C LEU A 61 9.289 -6.696 2.985 1.00 0.00 C ATOM 929 O LEU A 61 8.191 -6.919 2.476 1.00 0.00 O ATOM 930 CB LEU A 61 10.729 -5.048 1.768 1.00 0.00 C ATOM 931 CG LEU A 61 11.823 -4.764 0.737 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.661 -3.368 0.159 1.00 0.00 C ATOM 933 CD2 LEU A 61 13.199 -4.928 1.364 1.00 0.00 C ATOM 0 H LEU A 61 10.151 -6.792 0.069 1.00 0.00 H new ATOM 0 HA LEU A 61 11.397 -6.881 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.786 -4.650 1.394 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.964 -4.505 2.683 1.00 0.00 H new ATOM 0 HG LEU A 61 11.727 -5.484 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.448 -3.183 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.688 -3.286 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.731 -2.632 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.966 -4.722 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.306 -4.231 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.313 -5.948 1.730 1.00 0.00 H new ATOM 945 N PRO A 62 9.448 -6.588 4.316 1.00 0.00 N ATOM 946 CA PRO A 62 8.334 -6.727 5.259 1.00 0.00 C ATOM 947 C PRO A 62 7.337 -5.580 5.146 1.00 0.00 C ATOM 948 O PRO A 62 7.383 -4.798 4.196 1.00 0.00 O ATOM 949 CB PRO A 62 9.016 -6.702 6.629 1.00 0.00 C ATOM 950 CG PRO A 62 10.297 -5.975 6.402 1.00 0.00 C ATOM 951 CD PRO A 62 10.725 -6.319 5.003 1.00 0.00 C ATOM 0 HA PRO A 62 7.756 -7.632 5.073 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.398 -6.194 7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.194 -7.711 7.001 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.161 -4.899 6.515 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.052 -6.279 7.127 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.269 -5.498 4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.383 -7.188 4.985 1.00 0.00 H new ATOM 959 N PHE A 63 6.440 -5.480 6.122 1.00 0.00 N ATOM 960 CA PHE A 63 5.440 -4.419 6.128 1.00 0.00 C ATOM 961 C PHE A 63 5.897 -3.250 6.988 1.00 0.00 C ATOM 962 O PHE A 63 5.465 -2.117 6.788 1.00 0.00 O ATOM 963 CB PHE A 63 4.094 -4.940 6.633 1.00 0.00 C ATOM 964 CG PHE A 63 2.992 -3.919 6.554 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.895 -3.065 5.464 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.055 -3.812 7.567 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.883 -2.128 5.389 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.040 -2.876 7.498 1.00 0.00 C ATOM 969 CZ PHE A 63 0.955 -2.033 6.407 1.00 0.00 C ATOM 0 H PHE A 63 6.385 -6.118 6.916 1.00 0.00 H new ATOM 0 HA PHE A 63 5.318 -4.073 5.101 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.810 -5.816 6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.204 -5.266 7.667 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.619 -3.134 4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.118 -4.468 8.422 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.818 -1.470 4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.315 -2.804 8.295 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.164 -1.300 6.350 1.00 0.00 H new ATOM 979 N GLN A 64 6.779 -3.525 7.945 1.00 0.00 N ATOM 980 CA GLN A 64 7.295 -2.483 8.822 1.00 0.00 C ATOM 981 C GLN A 64 7.985 -1.402 7.998 1.00 0.00 C ATOM 982 O GLN A 64 7.754 -0.209 8.197 1.00 0.00 O ATOM 983 CB GLN A 64 8.273 -3.073 9.839 1.00 0.00 C ATOM 984 CG GLN A 64 7.719 -4.273 10.590 1.00 0.00 C ATOM 985 CD GLN A 64 7.233 -3.916 11.982 1.00 0.00 C ATOM 986 OE1 GLN A 64 8.008 -3.912 12.940 1.00 0.00 O ATOM 987 NE2 GLN A 64 5.946 -3.615 12.101 1.00 0.00 N ATOM 0 H GLN A 64 7.149 -4.457 8.131 1.00 0.00 H new ATOM 0 HA GLN A 64 6.459 -2.039 9.363 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.187 -3.368 9.323 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.548 -2.300 10.557 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.895 -4.704 10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.491 -5.039 10.664 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.340 -3.631 11.280 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.562 -3.368 13.013 1.00 0.00 H new ATOM 996 N VAL A 65 8.823 -1.835 7.063 1.00 0.00 N ATOM 997 CA VAL A 65 9.539 -0.910 6.195 1.00 0.00 C ATOM 998 C VAL A 65 8.576 -0.201 5.251 1.00 0.00 C ATOM 999 O VAL A 65 8.668 1.010 5.046 1.00 0.00 O ATOM 1000 CB VAL A 65 10.621 -1.630 5.369 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.705 -2.187 6.279 1.00 0.00 C ATOM 1002 CG2 VAL A 65 10.005 -2.734 4.523 1.00 0.00 C ATOM 0 H VAL A 65 9.023 -2.820 6.887 1.00 0.00 H new ATOM 0 HA VAL A 65 10.024 -0.177 6.840 1.00 0.00 H new ATOM 0 HB VAL A 65 11.080 -0.905 4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.461 -2.692 5.678 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.169 -1.371 6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.264 -2.897 6.978 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.786 -3.230 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.516 -3.460 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.270 -2.304 3.842 1.00 0.00 H new ATOM 1012 N CYS A 66 7.643 -0.963 4.684 1.00 0.00 N ATOM 1013 CA CYS A 66 6.655 -0.407 3.767 1.00 0.00 C ATOM 1014 C CYS A 66 5.838 0.680 4.455 1.00 0.00 C ATOM 1015 O CYS A 66 5.745 1.805 3.967 1.00 0.00 O ATOM 1016 CB CYS A 66 5.727 -1.511 3.253 1.00 0.00 C ATOM 1017 SG CYS A 66 6.557 -2.768 2.256 1.00 0.00 S ATOM 0 H CYS A 66 7.552 -1.966 4.844 1.00 0.00 H new ATOM 0 HA CYS A 66 7.183 0.035 2.922 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.250 -1.995 4.105 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.934 -1.057 2.659 1.00 0.00 H new ATOM 0 HG CYS A 66 6.746 -3.836 2.973 1.00 0.00 H new ATOM 1023 N TYR A 67 5.257 0.341 5.599 1.00 0.00 N ATOM 1024 CA TYR A 67 4.459 1.291 6.360 1.00 0.00 C ATOM 1025 C TYR A 67 5.299 2.501 6.759 1.00 0.00 C ATOM 1026 O TYR A 67 4.784 3.610 6.894 1.00 0.00 O ATOM 1027 CB TYR A 67 3.882 0.628 7.609 1.00 0.00 C ATOM 1028 CG TYR A 67 2.619 1.292 8.102 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.418 1.131 7.422 1.00 0.00 C ATOM 1030 CD2 TYR A 67 2.627 2.087 9.241 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.261 1.743 7.864 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.474 2.700 9.690 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.294 2.525 8.998 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.856 3.134 9.444 1.00 0.00 O ATOM 0 H TYR A 67 5.324 -0.586 6.020 1.00 0.00 H new ATOM 0 HA TYR A 67 3.638 1.626 5.726 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.674 -0.420 7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.629 0.648 8.402 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.389 0.518 6.534 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.550 2.228 9.784 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.664 1.609 7.324 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.496 3.313 10.579 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.728 4.106 9.456 1.00 0.00 H new ATOM 1044 N ALA A 68 6.596 2.271 6.963 1.00 0.00 N ATOM 1045 CA ALA A 68 7.512 3.334 7.367 1.00 0.00 C ATOM 1046 C ALA A 68 7.758 4.344 6.249 1.00 0.00 C ATOM 1047 O ALA A 68 7.628 5.550 6.458 1.00 0.00 O ATOM 1048 CB ALA A 68 8.832 2.734 7.818 1.00 0.00 C ATOM 0 H ALA A 68 7.035 1.357 6.855 1.00 0.00 H new ATOM 0 HA ALA A 68 7.044 3.869 8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.511 3.532 8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.659 2.068 8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.275 2.171 6.997 1.00 0.00 H new ATOM 1054 N LEU A 69 8.114 3.856 5.064 1.00 0.00 N ATOM 1055 CA LEU A 69 8.372 4.743 3.934 1.00 0.00 C ATOM 1056 C LEU A 69 7.074 5.375 3.456 1.00 0.00 C ATOM 1057 O LEU A 69 7.053 6.529 3.026 1.00 0.00 O ATOM 1058 CB LEU A 69 9.051 3.990 2.787 1.00 0.00 C ATOM 1059 CG LEU A 69 8.427 2.637 2.439 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.772 2.683 1.067 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.478 1.536 2.494 1.00 0.00 C ATOM 0 H LEU A 69 8.229 2.863 4.862 1.00 0.00 H new ATOM 0 HA LEU A 69 9.048 5.531 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.033 4.620 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.098 3.834 3.045 1.00 0.00 H new ATOM 0 HG LEU A 69 7.656 2.416 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.335 1.711 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.990 3.442 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.521 2.929 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.017 0.580 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.271 1.754 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.898 1.484 3.498 1.00 0.00 H new ATOM 1073 N PHE A 70 5.988 4.617 3.553 1.00 0.00 N ATOM 1074 CA PHE A 70 4.679 5.111 3.150 1.00 0.00 C ATOM 1075 C PHE A 70 4.194 6.168 4.135 1.00 0.00 C ATOM 1076 O PHE A 70 3.428 7.062 3.777 1.00 0.00 O ATOM 1077 CB PHE A 70 3.673 3.962 3.064 1.00 0.00 C ATOM 1078 CG PHE A 70 3.512 3.415 1.675 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.750 4.091 0.738 1.00 0.00 C ATOM 1080 CD2 PHE A 70 4.126 2.229 1.306 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.602 3.595 -0.543 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.983 1.728 0.026 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.220 2.411 -0.899 1.00 0.00 C ATOM 0 H PHE A 70 5.989 3.660 3.907 1.00 0.00 H new ATOM 0 HA PHE A 70 4.767 5.563 2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.992 3.159 3.728 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.705 4.309 3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.266 5.017 1.011 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.723 1.690 2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.004 4.132 -1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.468 0.803 -0.250 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.106 2.021 -1.900 1.00 0.00 H new ATOM 1093 N LYS A 71 4.656 6.062 5.379 1.00 0.00 N ATOM 1094 CA LYS A 71 4.284 7.011 6.421 1.00 0.00 C ATOM 1095 C LYS A 71 5.196 8.234 6.378 1.00 0.00 C ATOM 1096 O LYS A 71 4.745 9.366 6.561 1.00 0.00 O ATOM 1097 CB LYS A 71 4.370 6.352 7.799 1.00 0.00 C ATOM 1098 CG LYS A 71 3.080 5.679 8.234 1.00 0.00 C ATOM 1099 CD LYS A 71 2.972 5.610 9.749 1.00 0.00 C ATOM 1100 CE LYS A 71 4.113 4.807 10.352 1.00 0.00 C ATOM 1101 NZ LYS A 71 3.714 4.137 11.624 1.00 0.00 N ATOM 0 H LYS A 71 5.290 5.326 5.689 1.00 0.00 H new ATOM 0 HA LYS A 71 3.256 7.328 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.170 5.612 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.643 7.107 8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.228 6.228 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.035 4.672 7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.978 6.619 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.020 5.157 10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.446 4.056 9.636 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.961 5.466 10.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.564 3.908 12.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.103 4.773 12.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.196 3.261 11.408 1.00 0.00 H new ATOM 1115 N GLY A 72 6.482 7.994 6.138 1.00 0.00 N ATOM 1116 CA GLY A 72 7.444 9.078 6.077 1.00 0.00 C ATOM 1117 C GLY A 72 7.370 9.861 4.780 1.00 0.00 C ATOM 1118 O GLY A 72 7.802 11.011 4.721 1.00 0.00 O ATOM 0 H GLY A 72 6.875 7.065 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.274 9.755 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.449 8.672 6.194 1.00 0.00 H new ATOM 1122 N ALA A 73 6.817 9.238 3.739 1.00 0.00 N ATOM 1123 CA ALA A 73 6.682 9.882 2.433 1.00 0.00 C ATOM 1124 C ALA A 73 6.210 11.329 2.567 1.00 0.00 C ATOM 1125 O ALA A 73 5.227 11.609 3.252 1.00 0.00 O ATOM 1126 CB ALA A 73 5.721 9.091 1.566 1.00 0.00 C ATOM 0 H ALA A 73 6.454 8.285 3.776 1.00 0.00 H new ATOM 0 HA ALA A 73 7.664 9.899 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.624 9.576 0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.102 8.079 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.745 9.049 2.049 1.00 0.00 H new ATOM 1132 N ASN A 74 6.920 12.243 1.914 1.00 0.00 N ATOM 1133 CA ASN A 74 6.572 13.658 1.966 1.00 0.00 C ATOM 1134 C ASN A 74 7.141 14.406 0.764 1.00 0.00 C ATOM 1135 O ASN A 74 8.334 14.707 0.714 1.00 0.00 O ATOM 1136 CB ASN A 74 7.084 14.287 3.262 1.00 0.00 C ATOM 1137 CG ASN A 74 8.591 14.195 3.393 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.306 15.176 3.185 1.00 0.00 O ATOM 1139 ND2 ASN A 74 9.080 13.012 3.739 1.00 0.00 N ATOM 0 H ASN A 74 7.738 12.030 1.344 1.00 0.00 H new ATOM 0 HA ASN A 74 5.485 13.737 1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.782 15.334 3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.617 13.791 4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.087 12.887 3.843 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.449 12.227 3.901 1.00 0.00 H new ATOM 1146 N GLY A 75 6.278 14.700 -0.202 1.00 0.00 N ATOM 1147 CA GLY A 75 6.709 15.410 -1.394 1.00 0.00 C ATOM 1148 C GLY A 75 6.674 14.532 -2.628 1.00 0.00 C ATOM 1149 O GLY A 75 7.692 13.962 -3.020 1.00 0.00 O ATOM 0 H GLY A 75 5.287 14.460 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.068 16.278 -1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.722 15.784 -1.245 1.00 0.00 H new ATOM 1153 N LYS A 76 5.498 14.420 -3.237 1.00 0.00 N ATOM 1154 CA LYS A 76 5.327 13.601 -4.429 1.00 0.00 C ATOM 1155 C LYS A 76 5.702 12.150 -4.136 1.00 0.00 C ATOM 1156 O LYS A 76 6.861 11.837 -3.868 1.00 0.00 O ATOM 1157 CB LYS A 76 6.176 14.153 -5.572 1.00 0.00 C ATOM 1158 CG LYS A 76 5.478 14.103 -6.923 1.00 0.00 C ATOM 1159 CD LYS A 76 4.836 15.438 -7.271 1.00 0.00 C ATOM 1160 CE LYS A 76 3.326 15.312 -7.412 1.00 0.00 C ATOM 1161 NZ LYS A 76 2.917 15.090 -8.827 1.00 0.00 N ATOM 0 H LYS A 76 4.648 14.888 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 76 4.279 13.631 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.445 15.185 -5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.105 13.587 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.198 13.832 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.716 13.324 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.070 16.168 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.259 15.814 -8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.972 14.484 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.849 16.216 -7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.882 15.009 -8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.232 15.892 -9.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.351 14.213 -9.180 1.00 0.00 H new ATOM 1175 N VAL A 77 4.709 11.269 -4.172 1.00 0.00 N ATOM 1176 CA VAL A 77 4.926 9.853 -3.892 1.00 0.00 C ATOM 1177 C VAL A 77 4.425 8.971 -5.027 1.00 0.00 C ATOM 1178 O VAL A 77 3.220 8.801 -5.204 1.00 0.00 O ATOM 1179 CB VAL A 77 4.211 9.429 -2.595 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.151 9.528 -1.412 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.966 10.259 -2.361 1.00 0.00 C ATOM 0 H VAL A 77 3.743 11.510 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 77 6.002 9.721 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 77 3.903 8.389 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.628 9.224 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.008 8.874 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.495 10.557 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.482 9.937 -1.439 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.240 11.311 -2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.278 10.127 -3.196 1.00 0.00 H new ATOM 1191 N SER A 78 5.355 8.393 -5.777 1.00 0.00 N ATOM 1192 CA SER A 78 5.003 7.510 -6.882 1.00 0.00 C ATOM 1193 C SER A 78 5.111 6.052 -6.447 1.00 0.00 C ATOM 1194 O SER A 78 6.198 5.571 -6.131 1.00 0.00 O ATOM 1195 CB SER A 78 5.916 7.770 -8.082 1.00 0.00 C ATOM 1196 OG SER A 78 5.551 6.960 -9.186 1.00 0.00 O ATOM 0 H SER A 78 6.358 8.520 -5.640 1.00 0.00 H new ATOM 0 HA SER A 78 3.973 7.714 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.860 8.821 -8.364 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.951 7.569 -7.806 1.00 0.00 H new ATOM 0 HG SER A 78 6.149 7.146 -9.940 1.00 0.00 H new ATOM 1202 N MET A 79 3.978 5.361 -6.419 1.00 0.00 N ATOM 1203 CA MET A 79 3.950 3.963 -6.003 1.00 0.00 C ATOM 1204 C MET A 79 3.418 3.061 -7.112 1.00 0.00 C ATOM 1205 O MET A 79 2.295 3.239 -7.583 1.00 0.00 O ATOM 1206 CB MET A 79 3.086 3.792 -4.749 1.00 0.00 C ATOM 1207 CG MET A 79 2.983 5.043 -3.890 1.00 0.00 C ATOM 1208 SD MET A 79 1.437 5.937 -4.144 1.00 0.00 S ATOM 1209 CE MET A 79 0.691 5.785 -2.524 1.00 0.00 C ATOM 0 H MET A 79 3.069 5.744 -6.678 1.00 0.00 H new ATOM 0 HA MET A 79 4.976 3.670 -5.780 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.084 3.488 -5.050 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.497 2.983 -4.145 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.069 4.765 -2.839 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.821 5.703 -4.115 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.232 6.363 -2.493 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.470 4.737 -2.322 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.381 6.162 -1.769 1.00 0.00 H new ATOM 1219 N GLU A 80 4.221 2.079 -7.514 1.00 0.00 N ATOM 1220 CA GLU A 80 3.810 1.142 -8.554 1.00 0.00 C ATOM 1221 C GLU A 80 3.005 0.002 -7.942 1.00 0.00 C ATOM 1222 O GLU A 80 3.561 -0.888 -7.298 1.00 0.00 O ATOM 1223 CB GLU A 80 5.023 0.590 -9.309 1.00 0.00 C ATOM 1224 CG GLU A 80 4.983 0.864 -10.804 1.00 0.00 C ATOM 1225 CD GLU A 80 6.360 0.830 -11.438 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.041 -0.210 -11.324 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.756 1.844 -12.051 1.00 0.00 O ATOM 0 H GLU A 80 5.154 1.913 -7.138 1.00 0.00 H new ATOM 0 HA GLU A 80 3.184 1.677 -9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.930 1.027 -8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.083 -0.486 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.345 0.125 -11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.530 1.840 -10.979 1.00 0.00 H new ATOM 1234 N VAL A 81 1.695 0.044 -8.136 1.00 0.00 N ATOM 1235 CA VAL A 81 0.808 -0.978 -7.591 1.00 0.00 C ATOM 1236 C VAL A 81 0.513 -2.071 -8.609 1.00 0.00 C ATOM 1237 O VAL A 81 0.362 -1.802 -9.798 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.525 -0.381 -7.102 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.412 0.038 -5.647 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -0.942 0.791 -7.969 1.00 0.00 C ATOM 0 H VAL A 81 1.221 0.775 -8.667 1.00 0.00 H new ATOM 0 HA VAL A 81 1.337 -1.412 -6.742 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.296 -1.148 -7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.361 0.458 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.166 -0.831 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.372 0.788 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.886 1.196 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.175 1.565 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.065 0.456 -8.999 1.00 0.00 H new ATOM 1250 N THR A 82 0.430 -3.305 -8.123 1.00 0.00 N ATOM 1251 CA THR A 82 0.148 -4.449 -8.977 1.00 0.00 C ATOM 1252 C THR A 82 -1.259 -4.980 -8.719 1.00 0.00 C ATOM 1253 O THR A 82 -1.583 -5.384 -7.603 1.00 0.00 O ATOM 1254 CB THR A 82 1.179 -5.552 -8.731 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.489 -5.085 -9.005 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.951 -6.791 -9.569 1.00 0.00 C ATOM 0 H THR A 82 0.555 -3.537 -7.138 1.00 0.00 H new ATOM 0 HA THR A 82 0.210 -4.128 -10.017 1.00 0.00 H new ATOM 0 HB THR A 82 1.064 -5.820 -7.681 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.447 -4.155 -9.312 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.719 -7.530 -9.342 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.031 -7.207 -9.344 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.000 -6.529 -10.626 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.093 -4.965 -9.756 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.468 -5.440 -9.636 1.00 0.00 C ATOM 1266 C ARG A 83 -3.633 -6.820 -10.267 1.00 0.00 C ATOM 1267 O ARG A 83 -3.880 -6.938 -11.468 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.430 -4.450 -10.296 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.822 -4.454 -9.687 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.857 -3.901 -10.654 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.125 -3.607 -9.992 1.00 0.00 N ATOM 1272 CZ ARG A 83 -8.349 -2.508 -9.275 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -7.394 -1.598 -9.125 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -9.531 -2.318 -8.705 1.00 0.00 N ATOM 0 H ARG A 83 -1.841 -4.630 -10.686 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.703 -5.518 -8.575 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.013 -3.446 -10.220 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.507 -4.684 -11.358 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.094 -5.471 -9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.822 -3.859 -8.774 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.471 -2.993 -11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.025 -4.621 -11.455 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.883 -4.283 -10.084 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.482 -1.739 -9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.572 -0.758 -8.574 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.268 -3.014 -8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.703 -1.476 -8.156 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.499 -7.888 -9.460 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.638 -9.263 -9.945 1.00 0.00 C ATOM 1290 C PRO A 84 -5.089 -9.634 -10.221 1.00 0.00 C ATOM 1291 O PRO A 84 -5.984 -8.791 -10.140 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.086 -10.095 -8.789 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.337 -9.269 -7.578 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.205 -7.837 -8.015 1.00 0.00 C ATOM 0 HA PRO A 84 -3.120 -9.420 -10.891 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.587 -11.061 -8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.023 -10.296 -8.918 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.330 -9.463 -7.173 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.621 -9.504 -6.791 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.905 -7.190 -7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.205 -7.449 -7.823 1.00 0.00 H new ATOM 1302 N LYS A 85 -5.316 -10.902 -10.547 1.00 0.00 N ATOM 1303 CA LYS A 85 -6.661 -11.388 -10.834 1.00 0.00 C ATOM 1304 C LYS A 85 -7.142 -12.335 -9.737 1.00 0.00 C ATOM 1305 O LYS A 85 -6.336 -12.921 -9.014 1.00 0.00 O ATOM 1306 CB LYS A 85 -6.686 -12.102 -12.187 1.00 0.00 C ATOM 1307 CG LYS A 85 -5.546 -13.090 -12.376 1.00 0.00 C ATOM 1308 CD LYS A 85 -5.900 -14.162 -13.394 1.00 0.00 C ATOM 1309 CE LYS A 85 -5.523 -15.550 -12.898 1.00 0.00 C ATOM 1310 NZ LYS A 85 -6.711 -16.315 -12.429 1.00 0.00 N ATOM 0 H LYS A 85 -4.587 -11.611 -10.619 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.333 -10.531 -10.869 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.634 -12.630 -12.292 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.646 -11.357 -12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.652 -12.558 -12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.307 -13.558 -11.421 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.969 -14.127 -13.603 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.385 -13.958 -14.333 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.030 -16.100 -13.700 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.804 -15.461 -12.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.424 -17.283 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.117 -15.848 -11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.423 -16.350 -13.186 1.00 0.00 H new ATOM 1324 N PRO A 86 -8.470 -12.497 -9.597 1.00 0.00 N ATOM 1325 CA PRO A 86 -9.055 -13.377 -8.580 1.00 0.00 C ATOM 1326 C PRO A 86 -8.790 -14.851 -8.868 1.00 0.00 C ATOM 1327 O PRO A 86 -8.195 -15.197 -9.889 1.00 0.00 O ATOM 1328 CB PRO A 86 -10.554 -13.077 -8.668 1.00 0.00 C ATOM 1329 CG PRO A 86 -10.760 -12.572 -10.054 1.00 0.00 C ATOM 1330 CD PRO A 86 -9.502 -11.835 -10.417 1.00 0.00 C ATOM 0 HA PRO A 86 -8.628 -13.198 -7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.148 -13.971 -8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -10.853 -12.335 -7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.944 -13.394 -10.746 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.627 -11.913 -10.104 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.282 -11.915 -11.482 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.578 -10.772 -10.187 1.00 0.00 H new ATOM 1338 N GLY A 87 -9.236 -15.714 -7.961 1.00 0.00 N ATOM 1339 CA GLY A 87 -9.035 -17.142 -8.136 1.00 0.00 C ATOM 1340 C GLY A 87 -8.042 -17.715 -7.145 1.00 0.00 C ATOM 1341 O GLY A 87 -7.255 -18.598 -7.486 1.00 0.00 O ATOM 0 H GLY A 87 -9.732 -15.452 -7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.990 -17.656 -8.027 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.684 -17.334 -9.150 1.00 0.00 H new ATOM 1345 N SER A 88 -8.077 -17.211 -5.916 1.00 0.00 N ATOM 1346 CA SER A 88 -7.172 -17.678 -4.873 1.00 0.00 C ATOM 1347 C SER A 88 -7.648 -17.223 -3.496 1.00 0.00 C ATOM 1348 O SER A 88 -8.543 -16.385 -3.382 1.00 0.00 O ATOM 1349 CB SER A 88 -5.755 -17.164 -5.130 1.00 0.00 C ATOM 1350 OG SER A 88 -5.000 -18.102 -5.878 1.00 0.00 O ATOM 0 H SER A 88 -8.722 -16.479 -5.618 1.00 0.00 H new ATOM 0 HA SER A 88 -7.165 -18.768 -4.894 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.800 -16.217 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.258 -16.967 -4.180 1.00 0.00 H new ATOM 0 HG SER A 88 -5.558 -18.476 -6.592 1.00 0.00 H new ATOM 1356 N GLY A 89 -7.045 -17.783 -2.452 1.00 0.00 N ATOM 1357 CA GLY A 89 -7.421 -17.423 -1.098 1.00 0.00 C ATOM 1358 C GLY A 89 -8.806 -17.917 -0.729 1.00 0.00 C ATOM 1359 O GLY A 89 -9.172 -19.049 -1.045 1.00 0.00 O ATOM 0 H GLY A 89 -6.303 -18.479 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.693 -17.837 -0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.385 -16.339 -0.990 1.00 0.00 H new ATOM 1363 N GLY A 90 -9.577 -17.065 -0.059 1.00 0.00 N ATOM 1364 CA GLY A 90 -10.920 -17.441 0.341 1.00 0.00 C ATOM 1365 C GLY A 90 -11.969 -16.984 -0.654 1.00 0.00 C ATOM 1366 O GLY A 90 -11.935 -17.369 -1.823 1.00 0.00 O ATOM 0 H GLY A 90 -9.296 -16.123 0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.974 -18.524 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.139 -17.011 1.319 1.00 0.00 H new ATOM 1370 N SER A 91 -12.904 -16.163 -0.188 1.00 0.00 N ATOM 1371 CA SER A 91 -13.969 -15.654 -1.046 1.00 0.00 C ATOM 1372 C SER A 91 -13.553 -14.346 -1.709 1.00 0.00 C ATOM 1373 O SER A 91 -13.911 -14.078 -2.856 1.00 0.00 O ATOM 1374 CB SER A 91 -15.249 -15.442 -0.233 1.00 0.00 C ATOM 1375 OG SER A 91 -16.090 -16.581 -0.302 1.00 0.00 O ATOM 0 H SER A 91 -12.947 -15.836 0.777 1.00 0.00 H new ATOM 0 HA SER A 91 -14.159 -16.392 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.994 -15.237 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.782 -14.569 -0.609 1.00 0.00 H new ATOM 0 HG SER A 91 -16.900 -16.422 0.226 1.00 0.00 H new ATOM 1381 N GLY A 92 -12.795 -13.532 -0.982 1.00 0.00 N ATOM 1382 CA GLY A 92 -12.341 -12.262 -1.517 1.00 0.00 C ATOM 1383 C GLY A 92 -12.503 -11.125 -0.526 1.00 0.00 C ATOM 1384 O GLY A 92 -13.006 -11.323 0.580 1.00 0.00 O ATOM 0 H GLY A 92 -12.487 -13.730 -0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.292 -12.345 -1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -12.900 -12.032 -2.424 1.00 0.00 H new ATOM 1388 N SER A 93 -12.076 -9.930 -0.924 1.00 0.00 N ATOM 1389 CA SER A 93 -12.176 -8.758 -0.065 1.00 0.00 C ATOM 1390 C SER A 93 -11.371 -8.952 1.216 1.00 0.00 C ATOM 1391 O SER A 93 -11.127 -10.081 1.643 1.00 0.00 O ATOM 1392 CB SER A 93 -13.639 -8.472 0.277 1.00 0.00 C ATOM 1393 OG SER A 93 -14.510 -9.044 -0.684 1.00 0.00 O ATOM 0 H SER A 93 -11.658 -9.749 -1.837 1.00 0.00 H new ATOM 0 HA SER A 93 -11.764 -7.906 -0.607 1.00 0.00 H new ATOM 0 HB2 SER A 93 -13.869 -8.872 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.801 -7.395 0.323 1.00 0.00 H new ATOM 0 HG SER A 93 -15.439 -8.848 -0.441 1.00 0.00 H new ATOM 1399 N LEU A 94 -10.960 -7.843 1.824 1.00 0.00 N ATOM 1400 CA LEU A 94 -10.181 -7.890 3.057 1.00 0.00 C ATOM 1401 C LEU A 94 -11.001 -7.389 4.241 1.00 0.00 C ATOM 1402 O LEU A 94 -10.777 -7.797 5.381 1.00 0.00 O ATOM 1403 CB LEU A 94 -8.908 -7.054 2.912 1.00 0.00 C ATOM 1404 CG LEU A 94 -7.878 -7.606 1.924 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -8.055 -6.963 0.557 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -6.463 -7.383 2.443 1.00 0.00 C ATOM 0 H LEU A 94 -11.153 -6.901 1.483 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.907 -8.928 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.186 -6.048 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.437 -6.964 3.891 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.039 -8.679 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.315 -7.367 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.056 -7.176 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.922 -5.885 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.745 -7.782 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.288 -6.315 2.575 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.342 -7.892 3.399 1.00 0.00 H new ATOM 1418 N VAL A 95 -11.953 -6.502 3.966 1.00 0.00 N ATOM 1419 CA VAL A 95 -12.805 -5.943 5.010 1.00 0.00 C ATOM 1420 C VAL A 95 -14.276 -6.266 4.749 1.00 0.00 C ATOM 1421 O VAL A 95 -14.784 -6.037 3.651 1.00 0.00 O ATOM 1422 CB VAL A 95 -12.630 -4.415 5.113 1.00 0.00 C ATOM 1423 CG1 VAL A 95 -13.059 -3.735 3.821 1.00 0.00 C ATOM 1424 CG2 VAL A 95 -13.408 -3.863 6.300 1.00 0.00 C ATOM 0 H VAL A 95 -12.154 -6.155 3.028 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.501 -6.399 5.952 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.573 -4.203 5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -12.927 -2.657 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -12.450 -4.104 2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -14.108 -3.956 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.271 -2.783 6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -14.467 -4.089 6.177 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -13.043 -4.322 7.219 1.00 0.00 H new ATOM 1434 N PRO A 96 -14.984 -6.808 5.760 1.00 0.00 N ATOM 1435 CA PRO A 96 -16.399 -7.166 5.629 1.00 0.00 C ATOM 1436 C PRO A 96 -17.339 -5.969 5.786 1.00 0.00 C ATOM 1437 O PRO A 96 -18.544 -6.141 5.975 1.00 0.00 O ATOM 1438 CB PRO A 96 -16.601 -8.154 6.775 1.00 0.00 C ATOM 1439 CG PRO A 96 -15.646 -7.707 7.827 1.00 0.00 C ATOM 1440 CD PRO A 96 -14.457 -7.127 7.104 1.00 0.00 C ATOM 0 HA PRO A 96 -16.629 -7.564 4.640 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -17.629 -8.135 7.138 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -16.393 -9.176 6.459 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -16.105 -6.963 8.478 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -15.346 -8.542 8.460 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -14.078 -6.237 7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -13.634 -7.839 7.052 1.00 0.00 H new ATOM 1448 N ARG A 97 -16.789 -4.760 5.701 1.00 0.00 N ATOM 1449 CA ARG A 97 -17.588 -3.543 5.827 1.00 0.00 C ATOM 1450 C ARG A 97 -18.178 -3.408 7.227 1.00 0.00 C ATOM 1451 O ARG A 97 -19.359 -3.684 7.443 1.00 0.00 O ATOM 1452 CB ARG A 97 -18.710 -3.531 4.785 1.00 0.00 C ATOM 1453 CG ARG A 97 -18.220 -3.744 3.361 1.00 0.00 C ATOM 1454 CD ARG A 97 -18.118 -2.430 2.601 1.00 0.00 C ATOM 1455 NE ARG A 97 -19.092 -2.350 1.515 1.00 0.00 N ATOM 1456 CZ ARG A 97 -19.465 -1.212 0.936 1.00 0.00 C ATOM 1457 NH1 ARG A 97 -18.951 -0.056 1.337 1.00 0.00 N ATOM 1458 NH2 ARG A 97 -20.357 -1.229 -0.045 1.00 0.00 N ATOM 0 H ARG A 97 -15.794 -4.597 5.546 1.00 0.00 H new ATOM 0 HA ARG A 97 -16.927 -2.694 5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -19.432 -4.309 5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -19.236 -2.578 4.841 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -17.245 -4.230 3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.901 -4.416 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.274 -1.600 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.112 -2.323 2.195 1.00 0.00 H new ATOM 0 HE ARG A 97 -19.511 -3.218 1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.266 -0.037 2.093 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -19.241 0.814 0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -20.757 -2.115 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -20.643 -0.357 -0.489 1.00 0.00 H new ATOM 1472 N LEU A 98 -17.353 -2.974 8.174 1.00 0.00 N ATOM 1473 CA LEU A 98 -17.797 -2.793 9.551 1.00 0.00 C ATOM 1474 C LEU A 98 -18.256 -1.357 9.788 1.00 0.00 C ATOM 1475 O LEU A 98 -19.431 -1.104 10.054 1.00 0.00 O ATOM 1476 CB LEU A 98 -16.672 -3.148 10.526 1.00 0.00 C ATOM 1477 CG LEU A 98 -16.063 -4.538 10.341 1.00 0.00 C ATOM 1478 CD1 LEU A 98 -17.155 -5.593 10.240 1.00 0.00 C ATOM 1479 CD2 LEU A 98 -15.174 -4.570 9.108 1.00 0.00 C ATOM 0 H LEU A 98 -16.373 -2.741 8.013 1.00 0.00 H new ATOM 0 HA LEU A 98 -18.641 -3.461 9.725 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -15.880 -2.406 10.427 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -17.056 -3.070 11.543 1.00 0.00 H new ATOM 0 HG LEU A 98 -15.450 -4.763 11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -16.701 -6.575 10.109 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -17.751 -5.588 11.152 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -17.796 -5.373 9.386 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -14.749 -5.567 8.992 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -15.765 -4.323 8.226 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -14.369 -3.843 9.221 1.00 0.00 H new ATOM 1491 N LEU A 99 -17.317 -0.421 9.692 1.00 0.00 N ATOM 1492 CA LEU A 99 -17.618 0.992 9.895 1.00 0.00 C ATOM 1493 C LEU A 99 -17.074 1.832 8.739 1.00 0.00 C ATOM 1494 O LEU A 99 -16.839 1.314 7.646 1.00 0.00 O ATOM 1495 CB LEU A 99 -17.023 1.469 11.223 1.00 0.00 C ATOM 1496 CG LEU A 99 -17.881 2.475 11.993 1.00 0.00 C ATOM 1497 CD1 LEU A 99 -18.844 1.756 12.925 1.00 0.00 C ATOM 1498 CD2 LEU A 99 -16.999 3.438 12.773 1.00 0.00 C ATOM 0 H LEU A 99 -16.340 -0.616 9.475 1.00 0.00 H new ATOM 0 HA LEU A 99 -18.701 1.115 9.927 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.850 0.601 11.859 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -16.050 1.920 11.027 1.00 0.00 H new ATOM 0 HG LEU A 99 -18.467 3.049 11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -19.445 2.489 13.463 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -19.498 1.108 12.342 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -18.280 1.155 13.638 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -17.625 4.147 13.315 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -16.387 2.879 13.481 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.352 3.979 12.083 1.00 0.00 H new ATOM 1510 N ARG A 100 -16.877 3.128 8.982 1.00 0.00 N ATOM 1511 CA ARG A 100 -16.362 4.034 7.957 1.00 0.00 C ATOM 1512 C ARG A 100 -15.162 3.425 7.236 1.00 0.00 C ATOM 1513 O ARG A 100 -15.144 3.333 6.008 1.00 0.00 O ATOM 1514 CB ARG A 100 -15.974 5.376 8.584 1.00 0.00 C ATOM 1515 CG ARG A 100 -16.866 6.529 8.154 1.00 0.00 C ATOM 1516 CD ARG A 100 -18.062 6.683 9.078 1.00 0.00 C ATOM 1517 NE ARG A 100 -18.898 7.822 8.704 1.00 0.00 N ATOM 1518 CZ ARG A 100 -20.118 8.037 9.192 1.00 0.00 C ATOM 1519 NH1 ARG A 100 -20.648 7.196 10.072 1.00 0.00 N ATOM 1520 NH2 ARG A 100 -20.810 9.098 8.799 1.00 0.00 N ATOM 0 H ARG A 100 -17.066 3.573 9.880 1.00 0.00 H new ATOM 0 HA ARG A 100 -17.151 4.197 7.223 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -16.011 5.284 9.670 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -14.942 5.607 8.318 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -16.289 7.454 8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -17.212 6.362 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -18.659 5.771 9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -17.714 6.809 10.103 1.00 0.00 H new ATOM 0 HE ARG A 100 -18.525 8.491 8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -20.120 6.379 10.378 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -21.583 7.367 10.442 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -20.407 9.748 8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -21.745 9.264 9.172 1.00 0.00 H new ATOM 1534 N ARG A 101 -14.163 3.005 8.006 1.00 0.00 N ATOM 1535 CA ARG A 101 -12.966 2.400 7.438 1.00 0.00 C ATOM 1536 C ARG A 101 -12.158 1.669 8.511 1.00 0.00 C ATOM 1537 O ARG A 101 -11.827 0.496 8.352 1.00 0.00 O ATOM 1538 CB ARG A 101 -12.122 3.462 6.715 1.00 0.00 C ATOM 1539 CG ARG A 101 -11.212 4.290 7.613 1.00 0.00 C ATOM 1540 CD ARG A 101 -11.988 5.378 8.329 1.00 0.00 C ATOM 1541 NE ARG A 101 -11.249 5.924 9.465 1.00 0.00 N ATOM 1542 CZ ARG A 101 -11.564 7.065 10.075 1.00 0.00 C ATOM 1543 NH1 ARG A 101 -12.604 7.781 9.664 1.00 0.00 N ATOM 1544 NH2 ARG A 101 -10.837 7.491 11.099 1.00 0.00 N ATOM 0 H ARG A 101 -14.160 3.073 9.024 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.269 1.656 6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.509 2.965 5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -12.793 4.137 6.184 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.731 3.641 8.345 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.419 4.739 7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.218 6.180 7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -12.940 4.975 8.676 1.00 0.00 H new ATOM 0 HE ARG A 101 -10.445 5.401 9.811 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.167 7.458 8.877 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.840 8.654 10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -10.037 6.945 11.419 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -11.078 8.365 11.567 1.00 0.00 H new ATOM 1558 N ASN A 102 -11.864 2.367 9.608 1.00 0.00 N ATOM 1559 CA ASN A 102 -11.104 1.796 10.730 1.00 0.00 C ATOM 1560 C ASN A 102 -10.016 0.830 10.250 1.00 0.00 C ATOM 1561 O ASN A 102 -10.182 -0.387 10.317 1.00 0.00 O ATOM 1562 CB ASN A 102 -12.054 1.076 11.693 1.00 0.00 C ATOM 1563 CG ASN A 102 -12.132 1.755 13.045 1.00 0.00 C ATOM 1564 OD1 ASN A 102 -12.159 1.095 14.084 1.00 0.00 O ATOM 1565 ND2 ASN A 102 -12.168 3.084 13.041 1.00 0.00 N ATOM 0 H ASN A 102 -12.142 3.338 9.748 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.611 2.619 11.248 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.050 1.035 11.253 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -11.721 0.047 11.825 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.220 3.595 13.922 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.144 3.592 12.157 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.911 1.381 9.752 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.811 0.566 9.248 1.00 0.00 C ATOM 1574 C GLN A 103 -6.449 1.172 9.562 1.00 0.00 C ATOM 1575 O GLN A 103 -6.352 2.252 10.145 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.954 0.398 7.739 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.174 -0.405 7.345 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.883 -1.885 7.158 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -9.658 -2.736 7.596 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -7.769 -2.202 6.508 1.00 0.00 N ATOM 0 H GLN A 103 -8.755 2.387 9.687 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.864 -0.401 9.748 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -8.008 1.382 7.273 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.062 -0.091 7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.941 -0.286 8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.582 -0.002 6.418 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.154 -1.466 6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.529 -3.181 6.356 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.397 0.468 9.148 1.00 0.00 N ATOM 1590 CA TYR A 104 -4.032 0.930 9.357 1.00 0.00 C ATOM 1591 C TYR A 104 -3.649 1.884 8.235 1.00 0.00 C ATOM 1592 O TYR A 104 -3.253 1.456 7.152 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.068 -0.260 9.385 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.764 0.010 10.110 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.736 0.758 11.280 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.561 -0.497 9.628 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.551 0.995 11.949 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.628 -0.261 10.292 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.628 0.483 11.452 1.00 0.00 C ATOM 1600 OH TYR A 104 1.810 0.717 12.115 1.00 0.00 O ATOM 0 H TYR A 104 -5.468 -0.427 8.664 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.969 1.448 10.314 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.566 -1.105 9.860 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.846 -0.557 8.360 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.657 1.162 11.674 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.556 -1.084 8.721 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.548 1.579 12.858 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.554 -0.658 9.903 1.00 0.00 H new ATOM 0 HH TYR A 104 2.384 1.292 11.567 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.788 3.176 8.492 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.478 4.187 7.492 1.00 0.00 C ATOM 1612 C TRP A 105 -2.153 4.878 7.798 1.00 0.00 C ATOM 1613 O TRP A 105 -1.914 5.316 8.922 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.605 5.220 7.427 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.977 4.612 7.391 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.774 4.305 8.458 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.713 4.223 6.226 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.961 3.777 8.024 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.944 3.712 6.662 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.456 4.263 4.855 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.907 3.247 5.781 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.420 3.793 3.984 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.633 3.292 4.459 1.00 0.00 C ATOM 0 H TRP A 105 -4.113 3.549 9.384 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.386 3.691 6.526 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.532 5.880 8.291 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.468 5.839 6.541 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.507 4.457 9.493 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.732 3.481 8.622 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.521 4.654 4.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.849 2.860 6.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.232 3.814 2.921 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.368 2.933 3.754 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.296 4.973 6.786 1.00 0.00 N ATOM 1635 CA VAL A 106 0.005 5.612 6.942 1.00 0.00 C ATOM 1636 C VAL A 106 -0.131 7.129 6.994 1.00 0.00 C ATOM 1637 O VAL A 106 -0.967 7.673 6.242 1.00 0.00 O ATOM 1638 CB VAL A 106 0.959 5.234 5.793 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.366 3.772 5.894 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.313 5.524 4.447 1.00 0.00 C ATOM 1641 OXT VAL A 106 0.598 7.760 7.787 1.00 0.00 O ATOM 0 H VAL A 106 -1.480 4.615 5.849 1.00 0.00 H new ATOM 0 HA VAL A 106 0.422 5.254 7.883 1.00 0.00 H new ATOM 0 HB VAL A 106 1.859 5.843 5.877 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.040 3.524 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.872 3.600 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.478 3.142 5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.001 5.251 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.604 4.943 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.079 6.586 4.377 1.00 0.00 H new TER 1651 VAL A 106