USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 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 43 SER OG : rot 49:sc= 0.955 USER MOD Set 1.2: A 45 THR OG1 : rot 175:sc= 0.842 USER MOD Set 1.3: A 46 THR OG1 : rot -163:sc= 1.41 USER MOD Set 2.1: A 26 THR OG1 : rot -172:sc= 0.996 USER MOD Set 2.2: A 27 GLN : amide:sc= 0.846 K(o=1.8,f=0.97) USER MOD Single : A 11 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= 1.18 (180deg=0.582) USER MOD Single : A 15 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.288 X(o=0.29,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 169:sc= -1.32 (180deg=-1.84) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0536) USER MOD Single : A 38 TYR OH : rot 52:sc= 1.13 USER MOD Single : A 40 ASN : amide:sc= 0.882 K(o=0.88,f=-0.12) USER MOD Single : A 44 GLN : amide:sc= 1.14 K(o=1.1,f=-6.4!) USER MOD Single : A 48 SER OG : rot 74:sc= 0.979 USER MOD Single : A 54 ASN : amide:sc= 0.996 K(o=1,f=-4.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0293) USER MOD Single : A 59 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.5!) USER MOD Single : A 60 MET CE :methyl 180:sc= -1.12 (180deg=-1.12) USER MOD Single : A 61 CYS SG : rot -24:sc= 0.156 USER MOD Single : A 62 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0317) USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0115) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.0798 X(o=0.08,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 3.849 2.399 -3.901 1.00 0.00 N ATOM 2 CA ASP A 5 3.135 3.180 -2.908 1.00 0.00 C ATOM 3 C ASP A 5 4.158 3.823 -1.970 1.00 0.00 C ATOM 4 O ASP A 5 5.301 3.369 -1.904 1.00 0.00 O ATOM 5 CB ASP A 5 2.164 2.265 -2.151 1.00 0.00 C ATOM 6 CG ASP A 5 1.394 3.026 -1.079 1.00 0.00 C ATOM 7 OD1 ASP A 5 0.365 3.637 -1.440 1.00 0.00 O ATOM 8 OD2 ASP A 5 1.883 3.033 0.072 1.00 0.00 O ATOM 0 HA ASP A 5 2.550 3.972 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.462 1.817 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.718 1.448 -1.690 1.00 0.00 H new ATOM 15 N LEU A 6 3.755 4.863 -1.235 1.00 0.00 N ATOM 16 CA LEU A 6 4.605 5.533 -0.261 1.00 0.00 C ATOM 17 C LEU A 6 5.224 4.528 0.712 1.00 0.00 C ATOM 18 O LEU A 6 6.415 4.620 0.998 1.00 0.00 O ATOM 19 CB LEU A 6 3.832 6.627 0.487 1.00 0.00 C ATOM 20 CG LEU A 6 3.605 7.889 -0.366 1.00 0.00 C ATOM 21 CD1 LEU A 6 2.520 7.702 -1.435 1.00 0.00 C ATOM 22 CD2 LEU A 6 3.196 9.047 0.552 1.00 0.00 C ATOM 0 H LEU A 6 2.819 5.264 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 6 5.419 6.015 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.868 6.231 0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.378 6.898 1.390 1.00 0.00 H new ATOM 0 HG LEU A 6 4.541 8.100 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.406 8.625 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.808 6.895 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.574 7.453 -0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.033 9.944 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.276 8.788 1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.987 9.233 1.278 1.00 0.00 H new ATOM 34 N GLU A 7 4.444 3.543 1.170 1.00 0.00 N ATOM 35 CA GLU A 7 4.933 2.455 2.008 1.00 0.00 C ATOM 36 C GLU A 7 6.153 1.776 1.378 1.00 0.00 C ATOM 37 O GLU A 7 7.123 1.458 2.066 1.00 0.00 O ATOM 38 CB GLU A 7 3.816 1.431 2.242 1.00 0.00 C ATOM 39 CG GLU A 7 2.684 2.014 3.098 1.00 0.00 C ATOM 40 CD GLU A 7 1.557 1.001 3.275 1.00 0.00 C ATOM 41 OE1 GLU A 7 0.754 0.874 2.326 1.00 0.00 O ATOM 42 OE2 GLU A 7 1.528 0.364 4.350 1.00 0.00 O ATOM 0 H GLU A 7 3.447 3.483 0.965 1.00 0.00 H new ATOM 0 HA GLU A 7 5.240 2.874 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.415 1.103 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.227 0.549 2.734 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.073 2.305 4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.296 2.917 2.628 1.00 0.00 H new ATOM 49 N GLU A 8 6.115 1.544 0.066 1.00 0.00 N ATOM 50 CA GLU A 8 7.229 0.942 -0.645 1.00 0.00 C ATOM 51 C GLU A 8 8.351 1.965 -0.811 1.00 0.00 C ATOM 52 O GLU A 8 9.519 1.611 -0.703 1.00 0.00 O ATOM 53 CB GLU A 8 6.761 0.370 -1.990 1.00 0.00 C ATOM 54 CG GLU A 8 5.571 -0.591 -1.830 1.00 0.00 C ATOM 55 CD GLU A 8 5.872 -1.727 -0.856 1.00 0.00 C ATOM 56 OE1 GLU A 8 6.618 -2.642 -1.268 1.00 0.00 O ATOM 57 OE2 GLU A 8 5.370 -1.652 0.287 1.00 0.00 O ATOM 0 H GLU A 8 5.315 1.768 -0.525 1.00 0.00 H new ATOM 0 HA GLU A 8 7.624 0.108 -0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.478 1.188 -2.652 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.588 -0.155 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.702 -0.035 -1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.310 -1.008 -2.803 1.00 0.00 H new ATOM 64 N LEU A 9 8.012 3.233 -1.062 1.00 0.00 N ATOM 65 CA LEU A 9 8.996 4.299 -1.199 1.00 0.00 C ATOM 66 C LEU A 9 9.835 4.454 0.072 1.00 0.00 C ATOM 67 O LEU A 9 11.057 4.522 -0.038 1.00 0.00 O ATOM 68 CB LEU A 9 8.349 5.577 -1.777 1.00 0.00 C ATOM 69 CG LEU A 9 8.360 6.865 -0.935 1.00 0.00 C ATOM 70 CD1 LEU A 9 9.778 7.402 -0.695 1.00 0.00 C ATOM 71 CD2 LEU A 9 7.577 7.934 -1.714 1.00 0.00 C ATOM 0 H LEU A 9 7.047 3.544 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 9 9.740 4.030 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.844 5.798 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.310 5.344 -2.008 1.00 0.00 H new ATOM 0 HG LEU A 9 7.919 6.640 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.726 8.311 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.366 6.652 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.250 7.625 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.565 8.863 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.056 8.106 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.554 7.592 -1.873 1.00 0.00 H new ATOM 83 N GLU A 10 9.233 4.476 1.267 1.00 0.00 N ATOM 84 CA GLU A 10 10.020 4.577 2.496 1.00 0.00 C ATOM 85 C GLU A 10 11.006 3.416 2.617 1.00 0.00 C ATOM 86 O GLU A 10 12.216 3.626 2.701 1.00 0.00 O ATOM 87 CB GLU A 10 9.153 4.719 3.759 1.00 0.00 C ATOM 88 CG GLU A 10 7.995 3.734 3.943 1.00 0.00 C ATOM 89 CD GLU A 10 7.129 4.121 5.136 1.00 0.00 C ATOM 90 OE1 GLU A 10 7.579 3.851 6.270 1.00 0.00 O ATOM 91 OE2 GLU A 10 6.043 4.689 4.891 1.00 0.00 O ATOM 0 H GLU A 10 8.224 4.426 1.406 1.00 0.00 H new ATOM 0 HA GLU A 10 10.593 5.501 2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.808 4.633 4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.740 5.728 3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.386 3.712 3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.389 2.728 4.087 1.00 0.00 H new ATOM 98 N GLN A 11 10.474 2.195 2.615 1.00 0.00 N ATOM 99 CA GLN A 11 11.263 0.968 2.640 1.00 0.00 C ATOM 100 C GLN A 11 12.406 1.054 1.625 1.00 0.00 C ATOM 101 O GLN A 11 13.572 0.884 1.977 1.00 0.00 O ATOM 102 CB GLN A 11 10.366 -0.241 2.338 1.00 0.00 C ATOM 103 CG GLN A 11 9.434 -0.585 3.506 1.00 0.00 C ATOM 104 CD GLN A 11 8.460 -1.687 3.105 1.00 0.00 C ATOM 105 OE1 GLN A 11 8.658 -2.855 3.424 1.00 0.00 O ATOM 106 NE2 GLN A 11 7.407 -1.317 2.385 1.00 0.00 N ATOM 0 H GLN A 11 9.468 2.030 2.596 1.00 0.00 H new ATOM 0 HA GLN A 11 11.692 0.844 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.769 -0.034 1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.990 -1.105 2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.022 -0.906 4.366 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.881 0.303 3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.276 -0.336 2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.729 -2.014 2.078 1.00 0.00 H new ATOM 115 N PHE A 12 12.067 1.340 0.368 1.00 0.00 N ATOM 116 CA PHE A 12 13.014 1.501 -0.723 1.00 0.00 C ATOM 117 C PHE A 12 14.097 2.522 -0.366 1.00 0.00 C ATOM 118 O PHE A 12 15.279 2.230 -0.516 1.00 0.00 O ATOM 119 CB PHE A 12 12.260 1.881 -2.003 1.00 0.00 C ATOM 120 CG PHE A 12 13.162 2.208 -3.173 1.00 0.00 C ATOM 121 CD1 PHE A 12 13.649 1.184 -4.005 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.630 3.525 -3.331 1.00 0.00 C ATOM 123 CE1 PHE A 12 14.621 1.473 -4.979 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.667 3.791 -4.244 1.00 0.00 C ATOM 125 CZ PHE A 12 15.149 2.771 -5.081 1.00 0.00 C ATOM 0 H PHE A 12 11.098 1.469 0.078 1.00 0.00 H new ATOM 0 HA PHE A 12 13.526 0.555 -0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.602 1.058 -2.283 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.624 2.741 -1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.277 0.176 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.195 4.328 -2.754 1.00 0.00 H new ATOM 0 HE1 PHE A 12 14.962 0.697 -5.649 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.093 4.782 -4.301 1.00 0.00 H new ATOM 0 HZ PHE A 12 15.924 2.984 -5.802 1.00 0.00 H new ATOM 135 N ALA A 13 13.720 3.710 0.115 1.00 0.00 N ATOM 136 CA ALA A 13 14.666 4.753 0.494 1.00 0.00 C ATOM 137 C ALA A 13 15.645 4.231 1.556 1.00 0.00 C ATOM 138 O ALA A 13 16.866 4.288 1.378 1.00 0.00 O ATOM 139 CB ALA A 13 13.908 6.007 0.957 1.00 0.00 C ATOM 0 H ALA A 13 12.744 3.973 0.252 1.00 0.00 H new ATOM 0 HA ALA A 13 15.263 5.036 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.622 6.781 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.278 6.372 0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.285 5.759 1.816 1.00 0.00 H new ATOM 145 N LYS A 14 15.116 3.687 2.658 1.00 0.00 N ATOM 146 CA LYS A 14 15.941 3.123 3.724 1.00 0.00 C ATOM 147 C LYS A 14 16.864 2.027 3.175 1.00 0.00 C ATOM 148 O LYS A 14 18.038 1.932 3.545 1.00 0.00 O ATOM 149 CB LYS A 14 15.064 2.552 4.847 1.00 0.00 C ATOM 150 CG LYS A 14 14.116 3.557 5.518 1.00 0.00 C ATOM 151 CD LYS A 14 14.835 4.750 6.158 1.00 0.00 C ATOM 152 CE LYS A 14 13.846 5.520 7.043 1.00 0.00 C ATOM 153 NZ LYS A 14 14.447 6.742 7.604 1.00 0.00 N ATOM 0 H LYS A 14 14.113 3.627 2.832 1.00 0.00 H new ATOM 0 HA LYS A 14 16.554 3.926 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.470 1.734 4.440 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.714 2.125 5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.408 3.926 4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.536 3.041 6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.680 4.404 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.236 5.405 5.385 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.965 5.784 6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.508 4.876 7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.954 6.999 8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.453 6.572 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.359 7.519 6.918 1.00 0.00 H new ATOM 167 N THR A 15 16.326 1.166 2.313 1.00 0.00 N ATOM 168 CA THR A 15 17.089 0.093 1.688 1.00 0.00 C ATOM 169 C THR A 15 18.225 0.694 0.862 1.00 0.00 C ATOM 170 O THR A 15 19.373 0.275 0.990 1.00 0.00 O ATOM 171 CB THR A 15 16.173 -0.815 0.856 1.00 0.00 C ATOM 172 OG1 THR A 15 15.150 -1.329 1.682 1.00 0.00 O ATOM 173 CG2 THR A 15 16.932 -2.009 0.273 1.00 0.00 C ATOM 0 H THR A 15 15.347 1.195 2.029 1.00 0.00 H new ATOM 0 HA THR A 15 17.532 -0.540 2.457 1.00 0.00 H new ATOM 0 HB THR A 15 15.771 -0.212 0.042 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.482 -0.632 1.847 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.248 -2.626 -0.309 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.734 -1.650 -0.372 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.356 -2.602 1.084 1.00 0.00 H new ATOM 181 N PHE A 16 17.918 1.696 0.038 1.00 0.00 N ATOM 182 CA PHE A 16 18.892 2.366 -0.800 1.00 0.00 C ATOM 183 C PHE A 16 20.049 2.884 0.053 1.00 0.00 C ATOM 184 O PHE A 16 21.208 2.643 -0.279 1.00 0.00 O ATOM 185 CB PHE A 16 18.233 3.473 -1.636 1.00 0.00 C ATOM 186 CG PHE A 16 19.224 4.130 -2.573 1.00 0.00 C ATOM 187 CD1 PHE A 16 19.509 3.520 -3.807 1.00 0.00 C ATOM 188 CD2 PHE A 16 20.017 5.206 -2.126 1.00 0.00 C ATOM 189 CE1 PHE A 16 20.557 4.002 -4.605 1.00 0.00 C ATOM 190 CE2 PHE A 16 21.074 5.681 -2.924 1.00 0.00 C ATOM 191 CZ PHE A 16 21.340 5.083 -4.167 1.00 0.00 C ATOM 0 H PHE A 16 16.972 2.064 -0.062 1.00 0.00 H new ATOM 0 HA PHE A 16 19.305 1.649 -1.510 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.410 3.052 -2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 16 17.805 4.225 -0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 16 18.920 2.679 -4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 16 19.813 5.666 -1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 16 20.763 3.540 -5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 16 21.681 6.506 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.145 5.454 -4.785 1.00 0.00 H new ATOM 201 N LYS A 17 19.758 3.553 1.173 1.00 0.00 N ATOM 202 CA LYS A 17 20.816 3.994 2.076 1.00 0.00 C ATOM 203 C LYS A 17 21.666 2.814 2.554 1.00 0.00 C ATOM 204 O LYS A 17 22.893 2.883 2.525 1.00 0.00 O ATOM 205 CB LYS A 17 20.229 4.779 3.249 1.00 0.00 C ATOM 206 CG LYS A 17 21.327 5.435 4.097 1.00 0.00 C ATOM 207 CD LYS A 17 20.716 6.416 5.106 1.00 0.00 C ATOM 208 CE LYS A 17 21.811 7.055 5.965 1.00 0.00 C ATOM 209 NZ LYS A 17 21.254 8.068 6.877 1.00 0.00 N ATOM 0 H LYS A 17 18.813 3.796 1.470 1.00 0.00 H new ATOM 0 HA LYS A 17 21.478 4.663 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.553 5.546 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.636 4.111 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.894 4.668 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 17 22.029 5.961 3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 17 20.161 7.191 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 17 20.004 5.893 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.320 6.283 6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.559 7.516 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.020 8.482 7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 20.790 8.816 6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 20.558 7.622 7.508 1.00 0.00 H new ATOM 223 N GLN A 18 21.031 1.725 2.992 1.00 0.00 N ATOM 224 CA GLN A 18 21.770 0.537 3.405 1.00 0.00 C ATOM 225 C GLN A 18 22.673 0.030 2.273 1.00 0.00 C ATOM 226 O GLN A 18 23.840 -0.269 2.514 1.00 0.00 O ATOM 227 CB GLN A 18 20.809 -0.536 3.924 1.00 0.00 C ATOM 228 CG GLN A 18 20.261 -0.130 5.298 1.00 0.00 C ATOM 229 CD GLN A 18 19.004 -0.913 5.642 1.00 0.00 C ATOM 230 OE1 GLN A 18 19.054 -1.929 6.325 1.00 0.00 O ATOM 231 NE2 GLN A 18 17.862 -0.440 5.158 1.00 0.00 N ATOM 0 H GLN A 18 20.017 1.644 3.068 1.00 0.00 H new ATOM 0 HA GLN A 18 22.431 0.800 4.231 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.987 -0.670 3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.325 -1.493 3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 18 21.020 -0.303 6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 18 20.041 0.937 5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.860 0.409 4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.986 -0.926 5.351 1.00 0.00 H new ATOM 240 N ARG A 19 22.171 -0.039 1.036 1.00 0.00 N ATOM 241 CA ARG A 19 22.999 -0.403 -0.111 1.00 0.00 C ATOM 242 C ARG A 19 24.159 0.583 -0.282 1.00 0.00 C ATOM 243 O ARG A 19 25.298 0.164 -0.469 1.00 0.00 O ATOM 244 CB ARG A 19 22.171 -0.508 -1.403 1.00 0.00 C ATOM 245 CG ARG A 19 21.041 -1.547 -1.343 1.00 0.00 C ATOM 246 CD ARG A 19 21.540 -2.991 -1.203 1.00 0.00 C ATOM 247 NE ARG A 19 20.426 -3.915 -0.953 1.00 0.00 N ATOM 248 CZ ARG A 19 19.821 -4.078 0.233 1.00 0.00 C ATOM 249 NH1 ARG A 19 20.164 -3.318 1.280 1.00 0.00 N ATOM 250 NH2 ARG A 19 18.866 -5.004 0.363 1.00 0.00 N ATOM 0 H ARG A 19 21.196 0.153 0.807 1.00 0.00 H new ATOM 0 HA ARG A 19 23.416 -1.390 0.088 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.740 0.468 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.837 -0.759 -2.229 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.389 -1.314 -0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.437 -1.466 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 19 22.065 -3.287 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 19 22.258 -3.053 -0.385 1.00 0.00 H new ATOM 0 HE ARG A 19 20.088 -4.473 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 19 20.890 -2.609 1.179 1.00 0.00 H new ATOM 0 HH12 ARG A 19 19.699 -3.448 2.179 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.602 -5.580 -0.436 1.00 0.00 H new ATOM 0 HH22 ARG A 19 18.401 -5.134 1.261 1.00 0.00 H new ATOM 264 N ARG A 20 23.889 1.887 -0.204 1.00 0.00 N ATOM 265 CA ARG A 20 24.907 2.923 -0.311 1.00 0.00 C ATOM 266 C ARG A 20 26.025 2.688 0.711 1.00 0.00 C ATOM 267 O ARG A 20 27.210 2.738 0.370 1.00 0.00 O ATOM 268 CB ARG A 20 24.249 4.303 -0.145 1.00 0.00 C ATOM 269 CG ARG A 20 25.252 5.421 -0.428 1.00 0.00 C ATOM 270 CD ARG A 20 24.600 6.806 -0.395 1.00 0.00 C ATOM 271 NE ARG A 20 24.239 7.226 0.965 1.00 0.00 N ATOM 272 CZ ARG A 20 25.079 7.837 1.814 1.00 0.00 C ATOM 273 NH1 ARG A 20 26.395 7.874 1.575 1.00 0.00 N ATOM 274 NH2 ARG A 20 24.595 8.436 2.906 1.00 0.00 N ATOM 0 H ARG A 20 22.947 2.253 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 20 25.369 2.885 -1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.400 4.390 -0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.860 4.406 0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 20 26.055 5.382 0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.708 5.259 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.284 7.536 -0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.706 6.798 -1.019 1.00 0.00 H new ATOM 0 HE ARG A 20 23.288 7.041 1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 20 26.774 7.433 0.737 1.00 0.00 H new ATOM 0 HH12 ARG A 20 27.020 8.343 2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.592 8.427 3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 20 25.229 8.902 3.555 1.00 0.00 H new ATOM 288 N ILE A 21 25.644 2.415 1.962 1.00 0.00 N ATOM 289 CA ILE A 21 26.578 2.090 3.030 1.00 0.00 C ATOM 290 C ILE A 21 27.351 0.816 2.674 1.00 0.00 C ATOM 291 O ILE A 21 28.576 0.814 2.737 1.00 0.00 O ATOM 292 CB ILE A 21 25.838 1.999 4.380 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.329 3.398 4.782 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.759 1.440 5.477 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.307 3.358 5.921 1.00 0.00 C ATOM 0 H ILE A 21 24.668 2.415 2.259 1.00 0.00 H new ATOM 0 HA ILE A 21 27.314 2.886 3.138 1.00 0.00 H new ATOM 0 HB ILE A 21 24.993 1.319 4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.176 4.014 5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 21 24.878 3.878 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.212 1.386 6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.096 0.442 5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.622 2.095 5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 21 23.987 4.373 6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.444 2.767 5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 21 24.762 2.906 6.802 1.00 0.00 H new ATOM 307 N LYS A 22 26.654 -0.255 2.280 1.00 0.00 N ATOM 308 CA LYS A 22 27.265 -1.526 1.890 1.00 0.00 C ATOM 309 C LYS A 22 28.337 -1.295 0.816 1.00 0.00 C ATOM 310 O LYS A 22 29.456 -1.789 0.927 1.00 0.00 O ATOM 311 CB LYS A 22 26.157 -2.494 1.437 1.00 0.00 C ATOM 312 CG LYS A 22 26.521 -3.988 1.470 1.00 0.00 C ATOM 313 CD LYS A 22 27.581 -4.454 0.460 1.00 0.00 C ATOM 314 CE LYS A 22 27.214 -4.118 -0.992 1.00 0.00 C ATOM 315 NZ LYS A 22 28.216 -4.651 -1.931 1.00 0.00 N ATOM 0 H LYS A 22 25.636 -0.261 2.223 1.00 0.00 H new ATOM 0 HA LYS A 22 27.777 -1.981 2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.283 -2.338 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 22 25.865 -2.233 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.873 -4.232 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.612 -4.565 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.537 -3.990 0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 22 27.716 -5.531 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 22 26.234 -4.533 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 22 27.139 -3.037 -1.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 27.942 -4.409 -2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 29.146 -4.236 -1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 28.268 -5.685 -1.833 1.00 0.00 H new ATOM 329 N LEU A 23 28.005 -0.513 -0.213 1.00 0.00 N ATOM 330 CA LEU A 23 28.920 -0.165 -1.295 1.00 0.00 C ATOM 331 C LEU A 23 30.074 0.731 -0.819 1.00 0.00 C ATOM 332 O LEU A 23 31.036 0.928 -1.557 1.00 0.00 O ATOM 333 CB LEU A 23 28.137 0.527 -2.424 1.00 0.00 C ATOM 334 CG LEU A 23 27.118 -0.381 -3.133 1.00 0.00 C ATOM 335 CD1 LEU A 23 26.143 0.477 -3.947 1.00 0.00 C ATOM 336 CD2 LEU A 23 27.809 -1.379 -4.070 1.00 0.00 C ATOM 0 H LEU A 23 27.079 -0.099 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 23 29.367 -1.088 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.613 1.389 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.844 0.906 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 23 26.582 -0.942 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.422 -0.168 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.617 1.161 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.696 1.050 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 23 27.058 -2.004 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.372 -0.836 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.488 -2.008 -3.495 1.00 0.00 H new ATOM 348 N GLY A 24 29.990 1.298 0.388 1.00 0.00 N ATOM 349 CA GLY A 24 30.963 2.253 0.894 1.00 0.00 C ATOM 350 C GLY A 24 30.917 3.542 0.080 1.00 0.00 C ATOM 351 O GLY A 24 31.939 4.192 -0.131 1.00 0.00 O ATOM 0 H GLY A 24 29.234 1.100 1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.758 2.470 1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.963 1.822 0.848 1.00 0.00 H new ATOM 355 N PHE A 25 29.728 3.921 -0.394 1.00 0.00 N ATOM 356 CA PHE A 25 29.554 5.068 -1.271 1.00 0.00 C ATOM 357 C PHE A 25 29.244 6.297 -0.424 1.00 0.00 C ATOM 358 O PHE A 25 28.093 6.697 -0.252 1.00 0.00 O ATOM 359 CB PHE A 25 28.498 4.748 -2.328 1.00 0.00 C ATOM 360 CG PHE A 25 28.962 3.896 -3.499 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.240 3.296 -3.530 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.112 3.762 -4.612 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.646 2.558 -4.655 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.526 3.037 -5.742 1.00 0.00 C ATOM 365 CZ PHE A 25 29.790 2.427 -5.761 1.00 0.00 C ATOM 0 H PHE A 25 28.858 3.435 -0.176 1.00 0.00 H new ATOM 0 HA PHE A 25 30.467 5.294 -1.821 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.667 4.238 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.109 5.688 -2.720 1.00 0.00 H new ATOM 0 HD1 PHE A 25 30.907 3.404 -2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.134 4.220 -4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.619 2.090 -4.669 1.00 0.00 H new ATOM 0 HE2 PHE A 25 27.871 2.949 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.104 1.858 -6.624 1.00 0.00 H new ATOM 375 N THR A 26 30.317 6.884 0.101 1.00 0.00 N ATOM 376 CA THR A 26 30.325 7.986 1.044 1.00 0.00 C ATOM 377 C THR A 26 30.847 9.237 0.336 1.00 0.00 C ATOM 378 O THR A 26 31.086 9.220 -0.875 1.00 0.00 O ATOM 379 CB THR A 26 31.148 7.574 2.283 1.00 0.00 C ATOM 380 OG1 THR A 26 31.297 8.645 3.200 1.00 0.00 O ATOM 381 CG2 THR A 26 32.534 7.027 1.918 1.00 0.00 C ATOM 0 H THR A 26 31.260 6.579 -0.140 1.00 0.00 H new ATOM 0 HA THR A 26 29.324 8.226 1.402 1.00 0.00 H new ATOM 0 HB THR A 26 30.577 6.775 2.756 1.00 0.00 H new ATOM 0 HG1 THR A 26 31.926 8.386 3.906 1.00 0.00 H new ATOM 0 HG21 THR A 26 33.068 6.753 2.828 1.00 0.00 H new ATOM 0 HG22 THR A 26 32.423 6.147 1.284 1.00 0.00 H new ATOM 0 HG23 THR A 26 33.097 7.791 1.382 1.00 0.00 H new ATOM 389 N GLN A 27 30.997 10.319 1.105 1.00 0.00 N ATOM 390 CA GLN A 27 31.376 11.665 0.696 1.00 0.00 C ATOM 391 C GLN A 27 30.347 12.224 -0.288 1.00 0.00 C ATOM 392 O GLN A 27 29.541 13.085 0.068 1.00 0.00 O ATOM 393 CB GLN A 27 32.822 11.710 0.173 1.00 0.00 C ATOM 394 CG GLN A 27 33.827 11.037 1.121 1.00 0.00 C ATOM 395 CD GLN A 27 33.747 11.570 2.548 1.00 0.00 C ATOM 396 OE1 GLN A 27 34.317 12.609 2.858 1.00 0.00 O ATOM 397 NE2 GLN A 27 33.038 10.875 3.436 1.00 0.00 N ATOM 0 H GLN A 27 30.843 10.266 2.112 1.00 0.00 H new ATOM 0 HA GLN A 27 31.367 12.321 1.567 1.00 0.00 H new ATOM 0 HB2 GLN A 27 32.866 11.221 -0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 27 33.115 12.749 0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 27 33.647 9.962 1.130 1.00 0.00 H new ATOM 0 HG3 GLN A 27 34.836 11.188 0.738 1.00 0.00 H new ATOM 0 HE21 GLN A 27 32.572 10.013 3.154 1.00 0.00 H new ATOM 0 HE22 GLN A 27 32.961 11.205 4.398 1.00 0.00 H new ATOM 406 N GLY A 28 30.341 11.680 -1.501 1.00 0.00 N ATOM 407 CA GLY A 28 29.322 11.902 -2.502 1.00 0.00 C ATOM 408 C GLY A 28 29.522 10.958 -3.686 1.00 0.00 C ATOM 409 O GLY A 28 29.299 11.370 -4.821 1.00 0.00 O ATOM 0 H GLY A 28 31.077 11.049 -1.818 1.00 0.00 H new ATOM 0 HA2 GLY A 28 28.335 11.745 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 28 29.358 12.936 -2.844 1.00 0.00 H new ATOM 413 N ASP A 29 29.922 9.698 -3.454 1.00 0.00 N ATOM 414 CA ASP A 29 30.131 8.760 -4.557 1.00 0.00 C ATOM 415 C ASP A 29 28.847 8.601 -5.381 1.00 0.00 C ATOM 416 O ASP A 29 28.860 8.784 -6.599 1.00 0.00 O ATOM 417 CB ASP A 29 30.636 7.417 -4.021 1.00 0.00 C ATOM 418 CG ASP A 29 30.957 6.440 -5.152 1.00 0.00 C ATOM 419 OD1 ASP A 29 29.997 6.001 -5.819 1.00 0.00 O ATOM 420 OD2 ASP A 29 32.161 6.159 -5.332 1.00 0.00 O ATOM 0 H ASP A 29 30.104 9.314 -2.527 1.00 0.00 H new ATOM 0 HA ASP A 29 30.896 9.159 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.528 7.579 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.882 6.980 -3.366 1.00 0.00 H new ATOM 425 N VAL A 30 27.726 8.315 -4.702 1.00 0.00 N ATOM 426 CA VAL A 30 26.413 8.306 -5.340 1.00 0.00 C ATOM 427 C VAL A 30 26.207 9.615 -6.096 1.00 0.00 C ATOM 428 O VAL A 30 25.789 9.584 -7.245 1.00 0.00 O ATOM 429 CB VAL A 30 25.287 8.038 -4.319 1.00 0.00 C ATOM 430 CG1 VAL A 30 23.896 8.401 -4.862 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.253 6.551 -3.958 1.00 0.00 C ATOM 0 H VAL A 30 27.709 8.087 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 30 26.372 7.486 -6.056 1.00 0.00 H new ATOM 0 HB VAL A 30 25.507 8.662 -3.453 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.143 8.192 -4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.870 9.460 -5.117 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.687 7.808 -5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.456 6.370 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.070 5.962 -4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.209 6.260 -3.523 1.00 0.00 H new ATOM 441 N GLY A 31 26.514 10.754 -5.475 1.00 0.00 N ATOM 442 CA GLY A 31 26.376 12.058 -6.105 1.00 0.00 C ATOM 443 C GLY A 31 27.143 12.155 -7.425 1.00 0.00 C ATOM 444 O GLY A 31 26.610 12.631 -8.422 1.00 0.00 O ATOM 0 H GLY A 31 26.866 10.794 -4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.320 12.260 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 31 26.736 12.828 -5.422 1.00 0.00 H new ATOM 448 N LEU A 32 28.393 11.690 -7.446 1.00 0.00 N ATOM 449 CA LEU A 32 29.228 11.696 -8.641 1.00 0.00 C ATOM 450 C LEU A 32 28.614 10.815 -9.723 1.00 0.00 C ATOM 451 O LEU A 32 28.440 11.227 -10.869 1.00 0.00 O ATOM 452 CB LEU A 32 30.629 11.200 -8.269 1.00 0.00 C ATOM 453 CG LEU A 32 31.671 11.354 -9.389 1.00 0.00 C ATOM 454 CD1 LEU A 32 31.916 12.823 -9.758 1.00 0.00 C ATOM 455 CD2 LEU A 32 32.990 10.723 -8.930 1.00 0.00 C ATOM 0 H LEU A 32 28.855 11.296 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 32 29.296 12.710 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 32 30.974 11.745 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.567 10.149 -7.988 1.00 0.00 H new ATOM 0 HG LEU A 32 31.285 10.852 -10.276 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.659 12.879 -10.553 1.00 0.00 H new ATOM 0 HD12 LEU A 32 30.984 13.273 -10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.279 13.362 -8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.736 10.827 -9.718 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.340 11.227 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.833 9.666 -8.716 1.00 0.00 H new ATOM 467 N ALA A 33 28.294 9.580 -9.347 1.00 0.00 N ATOM 468 CA ALA A 33 27.691 8.618 -10.258 1.00 0.00 C ATOM 469 C ALA A 33 26.373 9.164 -10.833 1.00 0.00 C ATOM 470 O ALA A 33 26.138 9.111 -12.039 1.00 0.00 O ATOM 471 CB ALA A 33 27.520 7.285 -9.529 1.00 0.00 C ATOM 0 H ALA A 33 28.446 9.221 -8.404 1.00 0.00 H new ATOM 0 HA ALA A 33 28.343 8.449 -11.115 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.069 6.557 -10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.494 6.922 -9.202 1.00 0.00 H new ATOM 0 HB3 ALA A 33 26.875 7.425 -8.662 1.00 0.00 H new ATOM 477 N MET A 34 25.519 9.724 -9.974 1.00 0.00 N ATOM 478 CA MET A 34 24.310 10.434 -10.370 1.00 0.00 C ATOM 479 C MET A 34 24.667 11.578 -11.313 1.00 0.00 C ATOM 480 O MET A 34 23.989 11.780 -12.311 1.00 0.00 O ATOM 481 CB MET A 34 23.582 10.975 -9.130 1.00 0.00 C ATOM 482 CG MET A 34 23.014 9.859 -8.245 1.00 0.00 C ATOM 483 SD MET A 34 21.226 9.608 -8.302 1.00 0.00 S ATOM 484 CE MET A 34 20.946 9.498 -10.073 1.00 0.00 C ATOM 0 H MET A 34 25.655 9.694 -8.964 1.00 0.00 H new ATOM 0 HA MET A 34 23.646 9.742 -10.888 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.272 11.582 -8.544 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.771 11.631 -9.447 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.498 8.923 -8.525 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.296 10.067 -7.213 1.00 0.00 H new ATOM 0 HE1 MET A 34 19.930 9.151 -10.260 1.00 0.00 H new ATOM 0 HE2 MET A 34 21.083 10.481 -10.525 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.655 8.796 -10.511 1.00 0.00 H new ATOM 494 N GLY A 35 25.739 12.305 -11.008 1.00 0.00 N ATOM 495 CA GLY A 35 26.367 13.286 -11.880 1.00 0.00 C ATOM 496 C GLY A 35 26.513 12.749 -13.294 1.00 0.00 C ATOM 497 O GLY A 35 26.010 13.352 -14.239 1.00 0.00 O ATOM 0 H GLY A 35 26.211 12.221 -10.108 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.771 14.198 -11.894 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.348 13.552 -11.486 1.00 0.00 H new ATOM 501 N LYS A 36 27.191 11.611 -13.436 1.00 0.00 N ATOM 502 CA LYS A 36 27.363 10.982 -14.739 1.00 0.00 C ATOM 503 C LYS A 36 26.013 10.607 -15.369 1.00 0.00 C ATOM 504 O LYS A 36 25.775 10.918 -16.534 1.00 0.00 O ATOM 505 CB LYS A 36 28.290 9.758 -14.645 1.00 0.00 C ATOM 506 CG LYS A 36 29.784 10.111 -14.696 1.00 0.00 C ATOM 507 CD LYS A 36 30.282 10.830 -13.435 1.00 0.00 C ATOM 508 CE LYS A 36 31.799 11.054 -13.473 1.00 0.00 C ATOM 509 NZ LYS A 36 32.200 11.938 -14.581 1.00 0.00 N ATOM 0 H LYS A 36 27.629 11.108 -12.664 1.00 0.00 H new ATOM 0 HA LYS A 36 27.837 11.713 -15.394 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.083 9.226 -13.716 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.059 9.074 -15.462 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.361 9.197 -14.837 1.00 0.00 H new ATOM 0 HG3 LYS A 36 29.971 10.743 -15.564 1.00 0.00 H new ATOM 0 HD2 LYS A 36 29.774 11.790 -13.339 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.023 10.242 -12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.125 11.487 -12.528 1.00 0.00 H new ATOM 0 HE3 LYS A 36 32.305 10.094 -13.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 33.213 12.158 -14.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 32.020 11.461 -15.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 31.650 12.820 -14.538 1.00 0.00 H new ATOM 523 N LEU A 37 25.148 9.902 -14.634 1.00 0.00 N ATOM 524 CA LEU A 37 23.953 9.295 -15.224 1.00 0.00 C ATOM 525 C LEU A 37 22.758 10.248 -15.407 1.00 0.00 C ATOM 526 O LEU A 37 21.900 9.975 -16.243 1.00 0.00 O ATOM 527 CB LEU A 37 23.552 8.039 -14.434 1.00 0.00 C ATOM 528 CG LEU A 37 24.647 6.964 -14.320 1.00 0.00 C ATOM 529 CD1 LEU A 37 24.037 5.687 -13.733 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.302 6.617 -15.662 1.00 0.00 C ATOM 0 H LEU A 37 25.253 9.738 -13.633 1.00 0.00 H new ATOM 0 HA LEU A 37 24.235 9.019 -16.240 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.254 8.340 -13.430 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.676 7.595 -14.907 1.00 0.00 H new ATOM 0 HG LEU A 37 25.424 7.375 -13.675 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.808 4.921 -13.649 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.628 5.900 -12.745 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.240 5.331 -14.386 1.00 0.00 H new ATOM 0 HD21 LEU A 37 26.064 5.853 -15.508 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.545 6.241 -16.350 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.763 7.510 -16.083 1.00 0.00 H new ATOM 542 N TYR A 38 22.656 11.324 -14.618 1.00 0.00 N ATOM 543 CA TYR A 38 21.513 12.240 -14.598 1.00 0.00 C ATOM 544 C TYR A 38 21.969 13.689 -14.381 1.00 0.00 C ATOM 545 O TYR A 38 21.716 14.556 -15.213 1.00 0.00 O ATOM 546 CB TYR A 38 20.519 11.864 -13.483 1.00 0.00 C ATOM 547 CG TYR A 38 19.805 10.530 -13.613 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.468 9.357 -13.214 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.422 10.483 -13.885 1.00 0.00 C ATOM 550 CE1 TYR A 38 19.776 8.139 -13.130 1.00 0.00 C ATOM 551 CE2 TYR A 38 17.716 9.275 -13.743 1.00 0.00 C ATOM 552 CZ TYR A 38 18.402 8.098 -13.407 1.00 0.00 C ATOM 553 OH TYR A 38 17.691 6.966 -13.169 1.00 0.00 O ATOM 0 H TYR A 38 23.388 11.588 -13.958 1.00 0.00 H new ATOM 0 HA TYR A 38 21.021 12.155 -15.567 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.057 11.869 -12.535 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.764 12.648 -13.425 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.519 9.393 -12.970 1.00 0.00 H new ATOM 0 HD2 TYR A 38 17.904 11.376 -14.203 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.300 7.236 -12.853 1.00 0.00 H new ATOM 0 HE2 TYR A 38 16.647 9.253 -13.892 1.00 0.00 H new ATOM 0 HH TYR A 38 17.848 6.669 -12.248 1.00 0.00 H new ATOM 563 N GLY A 39 22.575 13.964 -13.223 1.00 0.00 N ATOM 564 CA GLY A 39 22.889 15.300 -12.744 1.00 0.00 C ATOM 565 C GLY A 39 23.445 15.180 -11.325 1.00 0.00 C ATOM 566 O GLY A 39 23.031 14.294 -10.576 1.00 0.00 O ATOM 0 H GLY A 39 22.868 13.233 -12.575 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.618 15.777 -13.399 1.00 0.00 H new ATOM 0 HA3 GLY A 39 21.997 15.926 -12.751 1.00 0.00 H new ATOM 570 N ASN A 40 24.402 16.041 -10.953 1.00 0.00 N ATOM 571 CA ASN A 40 25.190 15.870 -9.730 1.00 0.00 C ATOM 572 C ASN A 40 24.457 16.376 -8.485 1.00 0.00 C ATOM 573 O ASN A 40 24.958 17.222 -7.745 1.00 0.00 O ATOM 574 CB ASN A 40 26.583 16.496 -9.910 1.00 0.00 C ATOM 575 CG ASN A 40 27.610 15.917 -8.933 1.00 0.00 C ATOM 576 OD1 ASN A 40 28.538 15.228 -9.343 1.00 0.00 O ATOM 577 ND2 ASN A 40 27.476 16.198 -7.642 1.00 0.00 N ATOM 0 H ASN A 40 24.649 16.872 -11.491 1.00 0.00 H new ATOM 0 HA ASN A 40 25.329 14.803 -9.557 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.924 16.331 -10.932 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.516 17.574 -9.766 1.00 0.00 H new ATOM 0 HD21 ASN A 40 28.153 15.839 -6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 40 26.696 16.773 -7.324 1.00 0.00 H new ATOM 584 N ASP A 41 23.264 15.837 -8.257 1.00 0.00 N ATOM 585 CA ASP A 41 22.510 15.982 -7.021 1.00 0.00 C ATOM 586 C ASP A 41 22.959 14.837 -6.099 1.00 0.00 C ATOM 587 O ASP A 41 23.862 14.089 -6.461 1.00 0.00 O ATOM 588 CB ASP A 41 21.023 16.028 -7.407 1.00 0.00 C ATOM 589 CG ASP A 41 20.054 16.256 -6.254 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.523 16.672 -5.171 1.00 0.00 O ATOM 591 OD2 ASP A 41 18.846 16.031 -6.481 1.00 0.00 O ATOM 0 H ASP A 41 22.781 15.268 -8.952 1.00 0.00 H new ATOM 0 HA ASP A 41 22.687 16.898 -6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.880 16.821 -8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.763 15.090 -7.897 1.00 0.00 H new ATOM 596 N PHE A 42 22.363 14.672 -4.916 1.00 0.00 N ATOM 597 CA PHE A 42 22.569 13.494 -4.075 1.00 0.00 C ATOM 598 C PHE A 42 23.981 13.423 -3.499 1.00 0.00 C ATOM 599 O PHE A 42 24.549 12.341 -3.350 1.00 0.00 O ATOM 600 CB PHE A 42 22.199 12.211 -4.836 1.00 0.00 C ATOM 601 CG PHE A 42 20.883 12.322 -5.581 1.00 0.00 C ATOM 602 CD1 PHE A 42 19.674 12.377 -4.866 1.00 0.00 C ATOM 603 CD2 PHE A 42 20.886 12.613 -6.957 1.00 0.00 C ATOM 604 CE1 PHE A 42 18.495 12.774 -5.515 1.00 0.00 C ATOM 605 CE2 PHE A 42 19.674 12.809 -7.638 1.00 0.00 C ATOM 606 CZ PHE A 42 18.480 12.933 -6.911 1.00 0.00 C ATOM 0 H PHE A 42 21.721 15.356 -4.514 1.00 0.00 H new ATOM 0 HA PHE A 42 21.899 13.587 -3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.992 11.974 -5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.142 11.381 -4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.653 12.114 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 42 21.822 12.686 -7.491 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.599 12.957 -4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 42 19.661 12.864 -8.717 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.554 13.150 -7.422 1.00 0.00 H new ATOM 616 N SER A 43 24.517 14.567 -3.077 1.00 0.00 N ATOM 617 CA SER A 43 25.768 14.681 -2.347 1.00 0.00 C ATOM 618 C SER A 43 25.568 14.230 -0.894 1.00 0.00 C ATOM 619 O SER A 43 25.851 14.991 0.027 1.00 0.00 O ATOM 620 CB SER A 43 26.175 16.158 -2.429 1.00 0.00 C ATOM 621 OG SER A 43 25.028 16.965 -2.207 1.00 0.00 O ATOM 0 H SER A 43 24.072 15.470 -3.243 1.00 0.00 H new ATOM 0 HA SER A 43 26.548 14.047 -2.767 1.00 0.00 H new ATOM 0 HB2 SER A 43 26.941 16.380 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 43 26.606 16.376 -3.406 1.00 0.00 H new ATOM 0 HG SER A 43 24.556 16.650 -1.408 1.00 0.00 H new ATOM 627 N GLN A 44 25.014 13.029 -0.688 1.00 0.00 N ATOM 628 CA GLN A 44 24.543 12.494 0.591 1.00 0.00 C ATOM 629 C GLN A 44 23.355 13.272 1.182 1.00 0.00 C ATOM 630 O GLN A 44 22.395 12.654 1.635 1.00 0.00 O ATOM 631 CB GLN A 44 25.679 12.321 1.606 1.00 0.00 C ATOM 632 CG GLN A 44 26.748 11.354 1.086 1.00 0.00 C ATOM 633 CD GLN A 44 27.745 11.021 2.188 1.00 0.00 C ATOM 634 OE1 GLN A 44 27.663 9.966 2.813 1.00 0.00 O ATOM 635 NE2 GLN A 44 28.690 11.917 2.442 1.00 0.00 N ATOM 0 H GLN A 44 24.876 12.369 -1.453 1.00 0.00 H new ATOM 0 HA GLN A 44 24.162 11.498 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.133 13.290 1.816 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.275 11.948 2.547 1.00 0.00 H new ATOM 0 HG2 GLN A 44 26.276 10.440 0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 44 27.269 11.799 0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 44 28.730 12.783 1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 44 29.377 11.740 3.175 1.00 0.00 H new ATOM 644 N THR A 45 23.395 14.605 1.178 1.00 0.00 N ATOM 645 CA THR A 45 22.341 15.505 1.624 1.00 0.00 C ATOM 646 C THR A 45 20.963 15.064 1.120 1.00 0.00 C ATOM 647 O THR A 45 20.106 14.644 1.897 1.00 0.00 O ATOM 648 CB THR A 45 22.690 16.914 1.112 1.00 0.00 C ATOM 649 OG1 THR A 45 23.082 16.836 -0.251 1.00 0.00 O ATOM 650 CG2 THR A 45 23.846 17.521 1.911 1.00 0.00 C ATOM 0 H THR A 45 24.215 15.111 0.843 1.00 0.00 H new ATOM 0 HA THR A 45 22.283 15.494 2.712 1.00 0.00 H new ATOM 0 HB THR A 45 21.808 17.543 1.227 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.226 17.739 -0.602 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.071 18.516 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.564 17.592 2.962 1.00 0.00 H new ATOM 0 HG23 THR A 45 24.728 16.887 1.814 1.00 0.00 H new ATOM 658 N THR A 46 20.742 15.162 -0.189 1.00 0.00 N ATOM 659 CA THR A 46 19.458 14.892 -0.816 1.00 0.00 C ATOM 660 C THR A 46 18.994 13.453 -0.542 1.00 0.00 C ATOM 661 O THR A 46 17.807 13.194 -0.349 1.00 0.00 O ATOM 662 CB THR A 46 19.578 15.200 -2.318 1.00 0.00 C ATOM 663 OG1 THR A 46 20.648 16.105 -2.535 1.00 0.00 O ATOM 664 CG2 THR A 46 18.288 15.804 -2.872 1.00 0.00 C ATOM 0 H THR A 46 21.466 15.437 -0.853 1.00 0.00 H new ATOM 0 HA THR A 46 18.689 15.535 -0.387 1.00 0.00 H new ATOM 0 HB THR A 46 19.767 14.261 -2.838 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.560 16.508 -3.424 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.410 16.009 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.467 15.102 -2.729 1.00 0.00 H new ATOM 0 HG23 THR A 46 18.066 16.733 -2.347 1.00 0.00 H new ATOM 672 N ILE A 47 19.938 12.513 -0.491 1.00 0.00 N ATOM 673 CA ILE A 47 19.667 11.127 -0.132 1.00 0.00 C ATOM 674 C ILE A 47 19.181 11.060 1.321 1.00 0.00 C ATOM 675 O ILE A 47 18.149 10.457 1.608 1.00 0.00 O ATOM 676 CB ILE A 47 20.915 10.276 -0.444 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.139 10.161 -1.955 1.00 0.00 C ATOM 678 CG2 ILE A 47 20.898 8.890 0.205 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.088 9.358 -2.727 1.00 0.00 C ATOM 0 H ILE A 47 20.919 12.697 -0.700 1.00 0.00 H new ATOM 0 HA ILE A 47 18.858 10.703 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 47 21.753 10.810 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.180 11.166 -2.374 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.114 9.704 -2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.808 8.353 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 47 20.843 8.996 1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.031 8.333 -0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.347 9.343 -3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.058 8.337 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.110 9.822 -2.600 1.00 0.00 H new ATOM 691 N SER A 48 19.855 11.743 2.244 1.00 0.00 N ATOM 692 CA SER A 48 19.398 11.835 3.623 1.00 0.00 C ATOM 693 C SER A 48 17.977 12.406 3.673 1.00 0.00 C ATOM 694 O SER A 48 17.111 11.857 4.351 1.00 0.00 O ATOM 695 CB SER A 48 20.385 12.656 4.459 1.00 0.00 C ATOM 696 OG SER A 48 21.697 12.147 4.298 1.00 0.00 O ATOM 0 H SER A 48 20.724 12.243 2.057 1.00 0.00 H new ATOM 0 HA SER A 48 19.362 10.837 4.059 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.352 13.702 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.100 12.622 5.510 1.00 0.00 H new ATOM 0 HG SER A 48 22.038 12.394 3.413 1.00 0.00 H new ATOM 702 N ARG A 49 17.714 13.479 2.918 1.00 0.00 N ATOM 703 CA ARG A 49 16.369 14.032 2.793 1.00 0.00 C ATOM 704 C ARG A 49 15.373 12.983 2.280 1.00 0.00 C ATOM 705 O ARG A 49 14.247 12.918 2.774 1.00 0.00 O ATOM 706 CB ARG A 49 16.364 15.280 1.901 1.00 0.00 C ATOM 707 CG ARG A 49 17.091 16.462 2.551 1.00 0.00 C ATOM 708 CD ARG A 49 16.992 17.696 1.649 1.00 0.00 C ATOM 709 NE ARG A 49 17.689 18.844 2.242 1.00 0.00 N ATOM 710 CZ ARG A 49 17.170 19.697 3.139 1.00 0.00 C ATOM 711 NH1 ARG A 49 15.912 19.569 3.575 1.00 0.00 N ATOM 712 NH2 ARG A 49 17.931 20.693 3.604 1.00 0.00 N ATOM 0 H ARG A 49 18.423 13.981 2.383 1.00 0.00 H new ATOM 0 HA ARG A 49 16.046 14.331 3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.838 15.045 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 49 15.334 15.564 1.684 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.653 16.678 3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 49 18.137 16.208 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 49 17.421 17.471 0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.944 17.948 1.486 1.00 0.00 H new ATOM 0 HE ARG A 49 18.651 19.008 1.947 1.00 0.00 H new ATOM 0 HH11 ARG A 49 15.326 18.811 3.225 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.539 20.229 4.257 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.892 20.796 3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.551 21.349 4.286 1.00 0.00 H new ATOM 726 N PHE A 50 15.768 12.165 1.298 1.00 0.00 N ATOM 727 CA PHE A 50 14.939 11.079 0.788 1.00 0.00 C ATOM 728 C PHE A 50 14.578 10.114 1.915 1.00 0.00 C ATOM 729 O PHE A 50 13.404 9.831 2.136 1.00 0.00 O ATOM 730 CB PHE A 50 15.681 10.316 -0.318 1.00 0.00 C ATOM 731 CG PHE A 50 14.898 9.266 -1.089 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.546 9.461 -1.426 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.557 8.107 -1.539 1.00 0.00 C ATOM 734 CE1 PHE A 50 12.880 8.546 -2.257 1.00 0.00 C ATOM 735 CE2 PHE A 50 14.865 7.148 -2.296 1.00 0.00 C ATOM 736 CZ PHE A 50 13.534 7.379 -2.680 1.00 0.00 C ATOM 0 H PHE A 50 16.675 12.242 0.837 1.00 0.00 H new ATOM 0 HA PHE A 50 14.026 11.509 0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.062 11.045 -1.033 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.546 9.829 0.131 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.017 10.321 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.599 7.954 -1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.865 8.740 -2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.357 6.231 -2.584 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.016 6.661 -3.299 1.00 0.00 H new ATOM 746 N GLU A 51 15.585 9.628 2.646 1.00 0.00 N ATOM 747 CA GLU A 51 15.357 8.730 3.780 1.00 0.00 C ATOM 748 C GLU A 51 14.581 9.400 4.917 1.00 0.00 C ATOM 749 O GLU A 51 13.890 8.711 5.663 1.00 0.00 O ATOM 750 CB GLU A 51 16.662 8.126 4.312 1.00 0.00 C ATOM 751 CG GLU A 51 17.140 6.959 3.441 1.00 0.00 C ATOM 752 CD GLU A 51 17.849 7.445 2.185 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.001 7.898 2.347 1.00 0.00 O ATOM 754 OE2 GLU A 51 17.240 7.351 1.098 1.00 0.00 O ATOM 0 H GLU A 51 16.567 9.842 2.472 1.00 0.00 H new ATOM 0 HA GLU A 51 14.740 7.920 3.391 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.433 8.896 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.513 7.780 5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.815 6.327 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.287 6.341 3.161 1.00 0.00 H new ATOM 761 N ALA A 52 14.678 10.722 5.063 1.00 0.00 N ATOM 762 CA ALA A 52 13.819 11.474 5.970 1.00 0.00 C ATOM 763 C ALA A 52 12.410 11.674 5.390 1.00 0.00 C ATOM 764 O ALA A 52 11.536 12.188 6.082 1.00 0.00 O ATOM 765 CB ALA A 52 14.472 12.821 6.289 1.00 0.00 C ATOM 0 H ALA A 52 15.352 11.297 4.557 1.00 0.00 H new ATOM 0 HA ALA A 52 13.704 10.899 6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.831 13.385 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.440 12.653 6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.610 13.386 5.367 1.00 0.00 H new ATOM 771 N LEU A 53 12.195 11.311 4.120 1.00 0.00 N ATOM 772 CA LEU A 53 10.988 11.572 3.348 1.00 0.00 C ATOM 773 C LEU A 53 10.605 13.053 3.442 1.00 0.00 C ATOM 774 O LEU A 53 9.439 13.419 3.568 1.00 0.00 O ATOM 775 CB LEU A 53 9.868 10.585 3.725 1.00 0.00 C ATOM 776 CG LEU A 53 10.110 9.179 3.133 1.00 0.00 C ATOM 777 CD1 LEU A 53 10.954 8.316 4.074 1.00 0.00 C ATOM 778 CD2 LEU A 53 8.771 8.471 2.892 1.00 0.00 C ATOM 0 H LEU A 53 12.897 10.802 3.582 1.00 0.00 H new ATOM 0 HA LEU A 53 11.176 11.387 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.798 10.514 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.912 10.969 3.368 1.00 0.00 H new ATOM 0 HG LEU A 53 10.645 9.308 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.106 7.333 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 53 11.920 8.794 4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.438 8.206 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.953 7.481 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.236 8.374 3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.171 9.055 2.193 1.00 0.00 H new ATOM 790 N ASN A 54 11.625 13.909 3.350 1.00 0.00 N ATOM 791 CA ASN A 54 11.505 15.345 3.556 1.00 0.00 C ATOM 792 C ASN A 54 10.944 16.047 2.320 1.00 0.00 C ATOM 793 O ASN A 54 10.171 16.994 2.441 1.00 0.00 O ATOM 794 CB ASN A 54 12.886 15.896 3.933 1.00 0.00 C ATOM 795 CG ASN A 54 12.972 17.416 3.837 1.00 0.00 C ATOM 796 OD1 ASN A 54 13.761 17.942 3.056 1.00 0.00 O ATOM 797 ND2 ASN A 54 12.184 18.133 4.629 1.00 0.00 N ATOM 0 H ASN A 54 12.575 13.612 3.125 1.00 0.00 H new ATOM 0 HA ASN A 54 10.799 15.538 4.364 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.128 15.588 4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.638 15.454 3.279 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.223 19.152 4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.540 17.665 5.266 1.00 0.00 H new ATOM 804 N LEU A 55 11.345 15.603 1.129 1.00 0.00 N ATOM 805 CA LEU A 55 11.088 16.300 -0.132 1.00 0.00 C ATOM 806 C LEU A 55 9.667 16.053 -0.674 1.00 0.00 C ATOM 807 O LEU A 55 9.484 15.632 -1.818 1.00 0.00 O ATOM 808 CB LEU A 55 12.205 15.945 -1.127 1.00 0.00 C ATOM 809 CG LEU A 55 13.566 16.527 -0.715 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.687 15.831 -1.495 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.653 18.039 -0.966 1.00 0.00 C ATOM 0 H LEU A 55 11.866 14.734 1.011 1.00 0.00 H new ATOM 0 HA LEU A 55 11.113 17.376 0.038 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.286 14.861 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.938 16.318 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 55 13.677 16.354 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.650 16.248 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.672 14.763 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.538 15.987 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.633 18.403 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.507 18.241 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.880 18.548 -0.390 1.00 0.00 H new ATOM 823 N SER A 56 8.681 16.369 0.172 1.00 0.00 N ATOM 824 CA SER A 56 7.239 16.469 -0.036 1.00 0.00 C ATOM 825 C SER A 56 6.655 15.707 -1.232 1.00 0.00 C ATOM 826 O SER A 56 5.915 16.291 -2.022 1.00 0.00 O ATOM 827 CB SER A 56 6.873 17.957 -0.089 1.00 0.00 C ATOM 828 OG SER A 56 7.518 18.651 0.963 1.00 0.00 O ATOM 0 H SER A 56 8.909 16.588 1.142 1.00 0.00 H new ATOM 0 HA SER A 56 6.776 15.959 0.809 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.169 18.379 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.793 18.078 -0.007 1.00 0.00 H new ATOM 0 HG SER A 56 7.281 19.601 0.922 1.00 0.00 H new ATOM 834 N PHE A 57 6.930 14.405 -1.327 1.00 0.00 N ATOM 835 CA PHE A 57 6.421 13.462 -2.321 1.00 0.00 C ATOM 836 C PHE A 57 6.885 13.755 -3.756 1.00 0.00 C ATOM 837 O PHE A 57 7.476 12.887 -4.390 1.00 0.00 O ATOM 838 CB PHE A 57 4.899 13.299 -2.224 1.00 0.00 C ATOM 839 CG PHE A 57 4.363 12.203 -3.126 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.615 10.854 -2.813 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.715 12.531 -4.332 1.00 0.00 C ATOM 842 CE1 PHE A 57 4.205 9.837 -3.693 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.288 11.513 -5.202 1.00 0.00 C ATOM 844 CZ PHE A 57 3.522 10.166 -4.877 1.00 0.00 C ATOM 0 H PHE A 57 7.559 13.951 -0.664 1.00 0.00 H new ATOM 0 HA PHE A 57 6.871 12.502 -2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.628 13.078 -1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.420 14.243 -2.484 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.124 10.600 -1.895 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.546 13.566 -4.589 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.415 8.804 -3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.780 11.766 -6.121 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.177 9.384 -5.537 1.00 0.00 H new ATOM 854 N LYS A 58 6.607 14.955 -4.272 1.00 0.00 N ATOM 855 CA LYS A 58 6.879 15.396 -5.635 1.00 0.00 C ATOM 856 C LYS A 58 8.221 14.894 -6.176 1.00 0.00 C ATOM 857 O LYS A 58 8.284 14.291 -7.246 1.00 0.00 O ATOM 858 CB LYS A 58 6.758 16.929 -5.699 1.00 0.00 C ATOM 859 CG LYS A 58 7.720 17.694 -4.768 1.00 0.00 C ATOM 860 CD LYS A 58 7.285 19.155 -4.579 1.00 0.00 C ATOM 861 CE LYS A 58 7.186 19.945 -5.891 1.00 0.00 C ATOM 862 NZ LYS A 58 8.457 19.947 -6.636 1.00 0.00 N ATOM 0 H LYS A 58 6.161 15.683 -3.715 1.00 0.00 H new ATOM 0 HA LYS A 58 6.134 14.950 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.936 17.251 -6.725 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.735 17.209 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.760 17.198 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.728 17.665 -5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.316 19.174 -4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.994 19.653 -3.918 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.402 19.515 -6.514 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.892 20.972 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.364 20.547 -7.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.215 20.319 -6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.691 18.976 -6.926 1.00 0.00 H new ATOM 876 N ASN A 59 9.297 15.142 -5.431 1.00 0.00 N ATOM 877 CA ASN A 59 10.629 14.687 -5.797 1.00 0.00 C ATOM 878 C ASN A 59 10.720 13.183 -5.586 1.00 0.00 C ATOM 879 O ASN A 59 11.028 12.425 -6.500 1.00 0.00 O ATOM 880 CB ASN A 59 11.650 15.389 -4.903 1.00 0.00 C ATOM 881 CG ASN A 59 13.049 14.812 -5.082 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.534 14.094 -4.217 1.00 0.00 O ATOM 883 ND2 ASN A 59 13.704 15.109 -6.200 1.00 0.00 N ATOM 0 H ASN A 59 9.265 15.665 -4.556 1.00 0.00 H new ATOM 0 HA ASN A 59 10.830 14.919 -6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.664 16.454 -5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.348 15.293 -3.860 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.640 14.735 -6.357 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.271 15.710 -6.901 1.00 0.00 H new ATOM 890 N MET A 60 10.462 12.784 -4.343 1.00 0.00 N ATOM 891 CA MET A 60 10.602 11.434 -3.815 1.00 0.00 C ATOM 892 C MET A 60 10.043 10.372 -4.776 1.00 0.00 C ATOM 893 O MET A 60 10.667 9.339 -5.025 1.00 0.00 O ATOM 894 CB MET A 60 9.903 11.380 -2.453 1.00 0.00 C ATOM 895 CG MET A 60 10.578 12.301 -1.421 1.00 0.00 C ATOM 896 SD MET A 60 9.617 12.721 0.051 1.00 0.00 S ATOM 897 CE MET A 60 8.873 11.124 0.408 1.00 0.00 C ATOM 0 H MET A 60 10.129 13.438 -3.635 1.00 0.00 H new ATOM 0 HA MET A 60 11.661 11.202 -3.701 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.859 11.670 -2.570 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.909 10.355 -2.083 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.504 11.827 -1.097 1.00 0.00 H new ATOM 0 HG3 MET A 60 10.853 13.229 -1.923 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.243 11.206 1.294 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.266 10.807 -0.440 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.658 10.389 0.587 1.00 0.00 H new ATOM 907 N CYS A 61 8.860 10.637 -5.328 1.00 0.00 N ATOM 908 CA CYS A 61 8.166 9.730 -6.232 1.00 0.00 C ATOM 909 C CYS A 61 8.929 9.504 -7.539 1.00 0.00 C ATOM 910 O CYS A 61 8.828 8.428 -8.123 1.00 0.00 O ATOM 911 CB CYS A 61 6.767 10.269 -6.527 1.00 0.00 C ATOM 912 SG CYS A 61 5.831 9.005 -7.423 1.00 0.00 S ATOM 0 H CYS A 61 8.351 11.504 -5.155 1.00 0.00 H new ATOM 0 HA CYS A 61 8.096 8.763 -5.734 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.259 10.527 -5.598 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.831 11.182 -7.120 1.00 0.00 H new ATOM 0 HG CYS A 61 6.655 8.205 -8.032 1.00 0.00 H new ATOM 917 N LYS A 62 9.675 10.505 -8.015 1.00 0.00 N ATOM 918 CA LYS A 62 10.582 10.353 -9.149 1.00 0.00 C ATOM 919 C LYS A 62 11.900 9.748 -8.659 1.00 0.00 C ATOM 920 O LYS A 62 12.522 8.932 -9.338 1.00 0.00 O ATOM 921 CB LYS A 62 10.800 11.721 -9.812 1.00 0.00 C ATOM 922 CG LYS A 62 11.692 11.614 -11.057 1.00 0.00 C ATOM 923 CD LYS A 62 11.795 12.982 -11.739 1.00 0.00 C ATOM 924 CE LYS A 62 12.812 12.972 -12.888 1.00 0.00 C ATOM 925 NZ LYS A 62 12.436 12.023 -13.950 1.00 0.00 N ATOM 0 H LYS A 62 9.665 11.446 -7.621 1.00 0.00 H new ATOM 0 HA LYS A 62 10.155 9.682 -9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.837 12.148 -10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.256 12.404 -9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.684 11.262 -10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.278 10.882 -11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.817 13.271 -12.122 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.084 13.733 -11.004 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.893 13.974 -13.309 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.796 12.710 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.112 12.097 -14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.450 11.055 -13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.480 12.247 -14.293 1.00 0.00 H new ATOM 939 N LEU A 63 12.331 10.163 -7.470 1.00 0.00 N ATOM 940 CA LEU A 63 13.587 9.756 -6.875 1.00 0.00 C ATOM 941 C LEU A 63 13.658 8.233 -6.732 1.00 0.00 C ATOM 942 O LEU A 63 14.696 7.648 -7.025 1.00 0.00 O ATOM 943 CB LEU A 63 13.767 10.484 -5.543 1.00 0.00 C ATOM 944 CG LEU A 63 15.113 10.285 -4.840 1.00 0.00 C ATOM 945 CD1 LEU A 63 16.276 10.464 -5.813 1.00 0.00 C ATOM 946 CD2 LEU A 63 15.287 11.341 -3.748 1.00 0.00 C ATOM 0 H LEU A 63 11.798 10.807 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 63 14.415 10.035 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.624 11.551 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.976 10.161 -4.866 1.00 0.00 H new ATOM 0 HG LEU A 63 15.117 9.276 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 63 17.218 10.317 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.193 9.733 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.248 11.470 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 63 16.246 11.195 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.257 12.335 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 63 14.482 11.247 -3.019 1.00 0.00 H new ATOM 958 N LYS A 64 12.565 7.575 -6.323 1.00 0.00 N ATOM 959 CA LYS A 64 12.537 6.113 -6.272 1.00 0.00 C ATOM 960 C LYS A 64 12.991 5.464 -7.595 1.00 0.00 C ATOM 961 O LYS A 64 14.051 4.835 -7.613 1.00 0.00 O ATOM 962 CB LYS A 64 11.190 5.592 -5.741 1.00 0.00 C ATOM 963 CG LYS A 64 11.060 4.068 -5.918 1.00 0.00 C ATOM 964 CD LYS A 64 9.944 3.460 -5.064 1.00 0.00 C ATOM 965 CE LYS A 64 8.567 4.070 -5.357 1.00 0.00 C ATOM 966 NZ LYS A 64 7.513 3.422 -4.556 1.00 0.00 N ATOM 0 H LYS A 64 11.700 8.028 -6.027 1.00 0.00 H new ATOM 0 HA LYS A 64 13.283 5.795 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.092 5.846 -4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.375 6.090 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.870 3.845 -6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.007 3.595 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.904 2.385 -5.239 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.182 3.602 -4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.586 5.138 -5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.338 3.964 -6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.695 4.059 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.221 2.537 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.879 3.212 -3.606 1.00 0.00 H new ATOM 980 N PRO A 65 12.235 5.573 -8.702 1.00 0.00 N ATOM 981 CA PRO A 65 12.637 4.982 -9.966 1.00 0.00 C ATOM 982 C PRO A 65 13.994 5.516 -10.429 1.00 0.00 C ATOM 983 O PRO A 65 14.794 4.750 -10.960 1.00 0.00 O ATOM 984 CB PRO A 65 11.503 5.259 -10.959 1.00 0.00 C ATOM 985 CG PRO A 65 10.747 6.436 -10.345 1.00 0.00 C ATOM 986 CD PRO A 65 10.953 6.237 -8.843 1.00 0.00 C ATOM 0 HA PRO A 65 12.786 3.906 -9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.891 5.506 -11.947 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.857 4.389 -11.079 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.147 7.392 -10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.690 6.420 -10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.948 7.192 -8.318 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.152 5.634 -8.415 1.00 0.00 H new ATOM 994 N LEU A 66 14.283 6.805 -10.217 1.00 0.00 N ATOM 995 CA LEU A 66 15.579 7.388 -10.547 1.00 0.00 C ATOM 996 C LEU A 66 16.727 6.597 -9.902 1.00 0.00 C ATOM 997 O LEU A 66 17.638 6.143 -10.602 1.00 0.00 O ATOM 998 CB LEU A 66 15.553 8.874 -10.150 1.00 0.00 C ATOM 999 CG LEU A 66 16.820 9.695 -10.436 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.452 11.001 -11.154 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.523 10.079 -9.132 1.00 0.00 C ATOM 0 H LEU A 66 13.623 7.469 -9.812 1.00 0.00 H new ATOM 0 HA LEU A 66 15.766 7.327 -11.619 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.718 9.348 -10.667 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.343 8.936 -9.082 1.00 0.00 H new ATOM 0 HG LEU A 66 17.475 9.081 -11.054 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.357 11.575 -11.352 1.00 0.00 H new ATOM 0 HD12 LEU A 66 15.955 10.771 -12.096 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.782 11.586 -10.524 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.417 10.660 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.849 10.675 -8.517 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.804 9.176 -8.591 1.00 0.00 H new ATOM 1013 N LEU A 67 16.684 6.394 -8.581 1.00 0.00 N ATOM 1014 CA LEU A 67 17.699 5.622 -7.888 1.00 0.00 C ATOM 1015 C LEU A 67 17.640 4.153 -8.283 1.00 0.00 C ATOM 1016 O LEU A 67 18.682 3.518 -8.405 1.00 0.00 O ATOM 1017 CB LEU A 67 17.561 5.767 -6.375 1.00 0.00 C ATOM 1018 CG LEU A 67 17.877 7.175 -5.861 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.807 7.184 -4.339 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.244 7.715 -6.290 1.00 0.00 C ATOM 0 H LEU A 67 15.949 6.759 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 67 18.670 6.018 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.544 5.503 -6.085 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.226 5.054 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 67 17.129 7.830 -6.308 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.032 8.185 -3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.806 6.896 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.534 6.478 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.384 8.716 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.029 7.058 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.294 7.756 -7.378 1.00 0.00 H new ATOM 1032 N GLU A 68 16.444 3.597 -8.476 1.00 0.00 N ATOM 1033 CA GLU A 68 16.309 2.210 -8.893 1.00 0.00 C ATOM 1034 C GLU A 68 17.067 1.985 -10.207 1.00 0.00 C ATOM 1035 O GLU A 68 17.879 1.067 -10.309 1.00 0.00 O ATOM 1036 CB GLU A 68 14.822 1.852 -8.996 1.00 0.00 C ATOM 1037 CG GLU A 68 14.598 0.341 -9.107 1.00 0.00 C ATOM 1038 CD GLU A 68 13.110 0.018 -9.046 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.455 0.156 -10.102 1.00 0.00 O ATOM 1040 OE2 GLU A 68 12.651 -0.334 -7.938 1.00 0.00 O ATOM 0 H GLU A 68 15.559 4.088 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 68 16.754 1.544 -8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.297 2.232 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.390 2.347 -9.866 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.018 -0.027 -10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.121 -0.171 -8.299 1.00 0.00 H new ATOM 1047 N LYS A 69 16.832 2.843 -11.204 1.00 0.00 N ATOM 1048 CA LYS A 69 17.503 2.745 -12.492 1.00 0.00 C ATOM 1049 C LYS A 69 18.999 3.026 -12.339 1.00 0.00 C ATOM 1050 O LYS A 69 19.816 2.304 -12.909 1.00 0.00 O ATOM 1051 CB LYS A 69 16.837 3.689 -13.496 1.00 0.00 C ATOM 1052 CG LYS A 69 15.430 3.200 -13.868 1.00 0.00 C ATOM 1053 CD LYS A 69 14.771 4.083 -14.937 1.00 0.00 C ATOM 1054 CE LYS A 69 14.542 5.518 -14.446 1.00 0.00 C ATOM 1055 NZ LYS A 69 13.753 6.296 -15.416 1.00 0.00 N ATOM 0 H LYS A 69 16.174 3.619 -11.136 1.00 0.00 H new ATOM 0 HA LYS A 69 17.407 1.730 -12.877 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.776 4.691 -13.072 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.450 3.760 -14.395 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.489 2.174 -14.232 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.805 3.186 -12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.399 4.102 -15.827 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.817 3.645 -15.229 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.025 5.498 -13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.503 6.006 -14.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.615 7.262 -15.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.259 6.334 -16.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.827 5.842 -15.554 1.00 0.00 H new ATOM 1069 N TRP A 70 19.370 4.044 -11.549 1.00 0.00 N ATOM 1070 CA TRP A 70 20.771 4.293 -11.222 1.00 0.00 C ATOM 1071 C TRP A 70 21.433 3.006 -10.719 1.00 0.00 C ATOM 1072 O TRP A 70 22.502 2.634 -11.192 1.00 0.00 O ATOM 1073 CB TRP A 70 20.893 5.412 -10.177 1.00 0.00 C ATOM 1074 CG TRP A 70 22.273 5.644 -9.640 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.178 6.512 -10.135 1.00 0.00 C ATOM 1076 CD2 TRP A 70 22.949 4.953 -8.546 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.361 6.397 -9.442 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.292 5.423 -8.469 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.566 3.962 -7.620 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.217 4.903 -7.549 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.483 3.427 -6.700 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.811 3.878 -6.680 1.00 0.00 C ATOM 0 H TRP A 70 18.716 4.704 -11.128 1.00 0.00 H new ATOM 0 HA TRP A 70 21.287 4.618 -12.126 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.533 6.341 -10.620 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.231 5.180 -9.343 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.001 7.195 -10.953 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.189 6.964 -9.626 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.546 3.606 -7.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.226 5.286 -7.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.164 2.665 -6.005 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.521 3.437 -5.996 1.00 0.00 H new ATOM 1093 N LEU A 71 20.795 2.325 -9.764 1.00 0.00 N ATOM 1094 CA LEU A 71 21.321 1.110 -9.160 1.00 0.00 C ATOM 1095 C LEU A 71 21.429 0.035 -10.240 1.00 0.00 C ATOM 1096 O LEU A 71 22.489 -0.558 -10.417 1.00 0.00 O ATOM 1097 CB LEU A 71 20.430 0.679 -7.979 1.00 0.00 C ATOM 1098 CG LEU A 71 21.193 -0.018 -6.839 1.00 0.00 C ATOM 1099 CD1 LEU A 71 20.200 -0.398 -5.735 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.942 -1.273 -7.300 1.00 0.00 C ATOM 0 H LEU A 71 19.890 2.609 -9.388 1.00 0.00 H new ATOM 0 HA LEU A 71 22.317 1.280 -8.752 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.924 1.558 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.656 0.006 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 71 21.942 0.684 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.731 -0.893 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.715 0.502 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.447 -1.073 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.460 -1.720 -6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.231 -1.991 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.668 -1.002 -8.067 1.00 0.00 H new ATOM 1112 N ASN A 72 20.343 -0.182 -10.989 1.00 0.00 N ATOM 1113 CA ASN A 72 20.292 -1.155 -12.078 1.00 0.00 C ATOM 1114 C ASN A 72 21.442 -0.940 -13.065 1.00 0.00 C ATOM 1115 O ASN A 72 21.997 -1.910 -13.576 1.00 0.00 O ATOM 1116 CB ASN A 72 18.936 -1.072 -12.794 1.00 0.00 C ATOM 1117 CG ASN A 72 18.570 -2.310 -13.620 1.00 0.00 C ATOM 1118 OD1 ASN A 72 17.391 -2.615 -13.760 1.00 0.00 O ATOM 1119 ND2 ASN A 72 19.526 -3.047 -14.181 1.00 0.00 N ATOM 0 H ASN A 72 19.466 0.320 -10.852 1.00 0.00 H new ATOM 0 HA ASN A 72 20.404 -2.153 -11.654 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.157 -0.906 -12.050 1.00 0.00 H new ATOM 0 HB3 ASN A 72 18.940 -0.202 -13.451 1.00 0.00 H new ATOM 0 HD21 ASN A 72 19.279 -3.870 -14.731 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.505 -2.789 -14.061 1.00 0.00 H new ATOM 1126 N ASP A 73 21.777 0.317 -13.369 1.00 0.00 N ATOM 1127 CA ASP A 73 22.901 0.636 -14.239 1.00 0.00 C ATOM 1128 C ASP A 73 24.232 0.361 -13.532 1.00 0.00 C ATOM 1129 O ASP A 73 25.105 -0.309 -14.077 1.00 0.00 O ATOM 1130 CB ASP A 73 22.806 2.098 -14.688 1.00 0.00 C ATOM 1131 CG ASP A 73 23.945 2.455 -15.637 1.00 0.00 C ATOM 1132 OD1 ASP A 73 25.005 2.878 -15.124 1.00 0.00 O ATOM 1133 OD2 ASP A 73 23.735 2.301 -16.859 1.00 0.00 O ATOM 0 H ASP A 73 21.277 1.134 -13.019 1.00 0.00 H new ATOM 0 HA ASP A 73 22.860 -0.004 -15.121 1.00 0.00 H new ATOM 0 HB2 ASP A 73 21.850 2.269 -15.182 1.00 0.00 H new ATOM 0 HB3 ASP A 73 22.836 2.752 -13.817 1.00 0.00 H new ATOM 1138 N ALA A 74 24.397 0.919 -12.330 1.00 0.00 N ATOM 1139 CA ALA A 74 25.656 0.928 -11.599 1.00 0.00 C ATOM 1140 C ALA A 74 26.106 -0.478 -11.198 1.00 0.00 C ATOM 1141 O ALA A 74 27.294 -0.790 -11.270 1.00 0.00 O ATOM 1142 CB ALA A 74 25.516 1.825 -10.363 1.00 0.00 C ATOM 0 H ALA A 74 23.639 1.386 -11.831 1.00 0.00 H new ATOM 0 HA ALA A 74 26.428 1.325 -12.259 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.457 1.835 -9.812 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.268 2.839 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.724 1.439 -9.721 1.00 0.00 H new ATOM 1148 N GLU A 75 25.176 -1.315 -10.730 1.00 0.00 N ATOM 1149 CA GLU A 75 25.450 -2.656 -10.231 1.00 0.00 C ATOM 1150 C GLU A 75 26.636 -2.643 -9.264 1.00 0.00 C ATOM 1151 O GLU A 75 26.471 -2.860 -8.064 1.00 0.00 O ATOM 1152 CB GLU A 75 25.689 -3.625 -11.400 1.00 0.00 C ATOM 1153 CG GLU A 75 24.515 -3.679 -12.389 1.00 0.00 C ATOM 1154 CD GLU A 75 23.264 -4.311 -11.783 1.00 0.00 C ATOM 1155 OE1 GLU A 75 22.522 -3.583 -11.089 1.00 0.00 O ATOM 1156 OE2 GLU A 75 23.080 -5.527 -12.012 1.00 0.00 O ATOM 0 H GLU A 75 24.187 -1.068 -10.689 1.00 0.00 H new ATOM 0 HA GLU A 75 24.579 -3.006 -9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 75 26.592 -3.326 -11.933 1.00 0.00 H new ATOM 0 HB3 GLU A 75 25.869 -4.625 -11.004 1.00 0.00 H new ATOM 0 HG2 GLU A 75 24.281 -2.669 -12.724 1.00 0.00 H new ATOM 0 HG3 GLU A 75 24.813 -4.246 -13.271 1.00 0.00 H new TER 1163 GLU A 75