USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 556 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 Single : A 1 GLN : amide:sc= -0.0214 K(o=-0.021,f=-0.54) USER MOD Single : A 1 GLN N :NH3+ -178:sc= -0.0217 (180deg=-0.0285) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 9 LYS NZ :NH3+ -152:sc= -1.01 (180deg=-2.63!) USER MOD Single : A 11 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 12 THR OG1 : rot -26:sc= 0.629 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0939 USER MOD Single : A 15 HIS : no HE2:sc= 0.776 K(o=0.78,f=-3.4!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.325 X(o=-0.32,f=-0.0094) USER MOD Single : A 27 ASN : amide:sc= -0.739 K(o=-0.74,f=-4.7!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.212 F(o=-2.6!,f=-0.21) USER MOD Single : A 44 LYS NZ :NH3+ 131:sc= 1.12 (180deg=-0.113!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -127:sc= 0.874 (180deg=-0.432!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.147 F(o=-1.8!,f=0.15) USER MOD Single : A 53 MET CE :methyl 139:sc= -0.388 (180deg=-2.09!) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -155:sc= 0.328 USER MOD Single : A 67 TYR OH : rot 86:sc= 0.0432 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -50:sc= 0.189 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 133:sc= 1.44 (180deg=0.981) USER MOD ----------------------------------------------------------------- ATOM 44 N GLN A 1 7.690 -6.372 -11.157 1.00 10.00 N ATOM 45 CA GLN A 1 8.832 -7.268 -10.973 1.00 10.00 C ATOM 46 C GLN A 1 9.382 -7.308 -9.533 1.00 10.00 C ATOM 47 O GLN A 1 10.112 -8.234 -9.188 1.00 10.00 O ATOM 48 CB GLN A 1 9.926 -6.890 -11.992 1.00 10.00 C ATOM 49 CG GLN A 1 10.239 -8.059 -12.939 1.00 10.00 C ATOM 50 CD GLN A 1 9.073 -8.427 -13.855 1.00 10.00 C ATOM 51 OE1 GLN A 1 8.245 -7.599 -14.210 1.00 10.00 O ATOM 52 NE2 GLN A 1 8.999 -9.685 -14.272 1.00 10.00 N ATOM 0 H1 GLN A 1 7.360 -6.428 -12.142 1.00 10.00 H new ATOM 0 H2 GLN A 1 6.921 -6.654 -10.517 1.00 10.00 H new ATOM 0 H3 GLN A 1 7.977 -5.395 -10.944 1.00 10.00 H new ATOM 0 HA GLN A 1 8.483 -8.285 -11.153 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.602 -6.026 -12.573 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.832 -6.596 -11.463 1.00 10.00 H new ATOM 0 HG2 GLN A 1 11.104 -7.800 -13.550 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.516 -8.932 -12.348 1.00 10.00 H new ATOM 0 HE21 GLN A 1 9.696 -10.365 -13.968 1.00 10.00 H new ATOM 0 HE22 GLN A 1 8.245 -9.972 -14.896 1.00 10.00 H new ATOM 61 N ASP A 2 9.106 -6.267 -8.740 1.00 10.00 N ATOM 62 CA ASP A 2 9.737 -5.989 -7.447 1.00 10.00 C ATOM 63 C ASP A 2 8.680 -5.596 -6.376 1.00 10.00 C ATOM 64 O ASP A 2 7.665 -6.262 -6.199 1.00 10.00 O ATOM 65 CB ASP A 2 10.832 -4.932 -7.743 1.00 10.00 C ATOM 66 CG ASP A 2 11.738 -4.563 -6.572 1.00 10.00 C ATOM 67 OD1 ASP A 2 12.716 -5.297 -6.338 1.00 10.00 O ATOM 68 OD2 ASP A 2 11.388 -3.550 -5.918 1.00 10.00 O ATOM 0 H ASP A 2 8.408 -5.567 -8.993 1.00 10.00 H new ATOM 0 HA ASP A 2 10.210 -6.861 -6.996 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.456 -5.302 -8.557 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.346 -4.024 -8.101 1.00 10.00 H new ATOM 73 N ALA A 3 8.909 -4.485 -5.683 1.00 10.00 N ATOM 74 CA ALA A 3 8.190 -3.926 -4.553 1.00 10.00 C ATOM 75 C ALA A 3 8.313 -2.396 -4.586 1.00 10.00 C ATOM 76 O ALA A 3 7.301 -1.689 -4.592 1.00 10.00 O ATOM 77 CB ALA A 3 8.828 -4.497 -3.286 1.00 10.00 C ATOM 0 H ALA A 3 9.697 -3.888 -5.934 1.00 10.00 H new ATOM 0 HA ALA A 3 7.130 -4.180 -4.583 1.00 10.00 H new ATOM 0 HB1 ALA A 3 8.315 -4.100 -2.410 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.744 -5.584 -3.295 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.880 -4.214 -3.249 1.00 10.00 H new ATOM 83 N GLU A 4 9.551 -1.885 -4.684 1.00 10.00 N ATOM 84 CA GLU A 4 9.799 -0.456 -4.846 1.00 10.00 C ATOM 85 C GLU A 4 9.092 0.062 -6.095 1.00 10.00 C ATOM 86 O GLU A 4 8.324 1.020 -6.046 1.00 10.00 O ATOM 87 CB GLU A 4 11.303 -0.169 -4.898 1.00 10.00 C ATOM 88 CG GLU A 4 11.564 1.331 -5.133 1.00 10.00 C ATOM 89 CD GLU A 4 12.941 1.781 -4.662 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.896 0.993 -4.833 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.011 2.912 -4.138 1.00 10.00 O ATOM 0 H GLU A 4 10.398 -2.452 -4.653 1.00 10.00 H new ATOM 0 HA GLU A 4 9.393 0.071 -3.982 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.770 -0.483 -3.965 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.762 -0.752 -5.696 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.462 1.549 -6.196 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.802 1.912 -4.614 1.00 10.00 H new ATOM 98 N ALA A 5 9.279 -0.635 -7.217 1.00 10.00 N ATOM 99 CA ALA A 5 8.737 -0.217 -8.503 1.00 10.00 C ATOM 100 C ALA A 5 7.210 -0.309 -8.504 1.00 10.00 C ATOM 101 O ALA A 5 6.527 0.491 -9.142 1.00 10.00 O ATOM 102 CB ALA A 5 9.332 -1.097 -9.603 1.00 10.00 C ATOM 0 H ALA A 5 9.811 -1.504 -7.256 1.00 10.00 H new ATOM 0 HA ALA A 5 9.004 0.824 -8.687 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.932 -0.791 -10.570 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.417 -0.989 -9.609 1.00 10.00 H new ATOM 0 HB3 ALA A 5 9.072 -2.139 -9.416 1.00 10.00 H new ATOM 108 N ILE A 6 6.661 -1.256 -7.744 1.00 10.00 N ATOM 109 CA ILE A 6 5.227 -1.462 -7.650 1.00 10.00 C ATOM 110 C ILE A 6 4.609 -0.268 -6.939 1.00 10.00 C ATOM 111 O ILE A 6 3.709 0.359 -7.504 1.00 10.00 O ATOM 112 CB ILE A 6 4.938 -2.786 -6.924 1.00 10.00 C ATOM 113 CG1 ILE A 6 5.149 -3.974 -7.867 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.491 -2.868 -6.409 1.00 10.00 C ATOM 115 CD1 ILE A 6 6.563 -4.075 -8.429 1.00 10.00 C ATOM 0 H ILE A 6 7.207 -1.903 -7.175 1.00 10.00 H new ATOM 0 HA ILE A 6 4.781 -1.537 -8.642 1.00 10.00 H new ATOM 0 HB ILE A 6 5.627 -2.822 -6.080 1.00 10.00 H new ATOM 0 HG12 ILE A 6 4.914 -4.895 -7.333 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.444 -3.897 -8.695 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.338 -3.822 -5.904 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.307 -2.053 -5.709 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.801 -2.787 -7.249 1.00 10.00 H new ATOM 0 HD11 ILE A 6 6.632 -4.941 -9.087 1.00 10.00 H new ATOM 0 HD12 ILE A 6 6.796 -3.172 -8.993 1.00 10.00 H new ATOM 0 HD13 ILE A 6 7.273 -4.185 -7.609 1.00 10.00 H new ATOM 127 N TYR A 7 5.135 0.106 -5.764 1.00 10.00 N ATOM 128 CA TYR A 7 4.586 1.264 -5.063 1.00 10.00 C ATOM 129 C TYR A 7 4.889 2.558 -5.827 1.00 10.00 C ATOM 130 O TYR A 7 4.000 3.376 -6.032 1.00 10.00 O ATOM 131 CB TYR A 7 4.983 1.297 -3.574 1.00 10.00 C ATOM 132 CG TYR A 7 6.191 2.141 -3.216 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.100 3.549 -3.227 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.399 1.526 -2.847 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.254 4.329 -3.046 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.540 2.313 -2.616 1.00 10.00 C ATOM 137 CZ TYR A 7 8.477 3.706 -2.756 1.00 10.00 C ATOM 138 OH TYR A 7 9.599 4.454 -2.590 1.00 10.00 O ATOM 0 H TYR A 7 5.912 -0.360 -5.296 1.00 10.00 H new ATOM 0 HA TYR A 7 3.500 1.169 -5.047 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.130 1.661 -3.001 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.172 0.274 -3.248 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.143 4.027 -3.375 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.451 0.452 -2.741 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.200 5.404 -3.130 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.469 1.843 -2.329 1.00 10.00 H new ATOM 0 HH TYR A 7 10.358 3.866 -2.394 1.00 10.00 H new ATOM 148 N ASN A 8 6.114 2.698 -6.335 1.00 10.00 N ATOM 149 CA ASN A 8 6.605 3.889 -7.019 1.00 10.00 C ATOM 150 C ASN A 8 5.890 4.116 -8.364 1.00 10.00 C ATOM 151 O ASN A 8 5.852 5.234 -8.862 1.00 10.00 O ATOM 152 CB ASN A 8 8.123 3.742 -7.164 1.00 10.00 C ATOM 153 CG ASN A 8 8.831 5.002 -7.633 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.410 6.119 -7.373 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.956 4.831 -8.310 1.00 10.00 N ATOM 0 H ASN A 8 6.814 1.958 -6.278 1.00 10.00 H new ATOM 0 HA ASN A 8 6.383 4.783 -6.436 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.541 3.441 -6.203 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.333 2.938 -7.869 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.490 5.641 -8.625 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.289 3.889 -8.516 1.00 10.00 H new ATOM 162 N LYS A 9 5.310 3.068 -8.955 1.00 10.00 N ATOM 163 CA LYS A 9 4.380 3.183 -10.080 1.00 10.00 C ATOM 164 C LYS A 9 2.895 3.303 -9.660 1.00 10.00 C ATOM 165 O LYS A 9 2.113 3.896 -10.398 1.00 10.00 O ATOM 166 CB LYS A 9 4.624 1.986 -11.007 1.00 10.00 C ATOM 167 CG LYS A 9 3.818 2.029 -12.317 1.00 10.00 C ATOM 168 CD LYS A 9 3.196 0.677 -12.706 1.00 10.00 C ATOM 169 CE LYS A 9 1.994 0.267 -11.835 1.00 10.00 C ATOM 170 NZ LYS A 9 2.392 -0.390 -10.569 1.00 10.00 N ATOM 0 H LYS A 9 5.475 2.105 -8.662 1.00 10.00 H new ATOM 0 HA LYS A 9 4.578 4.120 -10.601 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.686 1.938 -11.248 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.377 1.069 -10.471 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.024 2.770 -12.220 1.00 10.00 H new ATOM 0 HG3 LYS A 9 4.470 2.364 -13.123 1.00 10.00 H new ATOM 0 HD2 LYS A 9 2.878 0.721 -13.748 1.00 10.00 H new ATOM 0 HD3 LYS A 9 3.961 -0.096 -12.638 1.00 10.00 H new ATOM 0 HE2 LYS A 9 1.399 1.152 -11.607 1.00 10.00 H new ATOM 0 HE3 LYS A 9 1.355 -0.409 -12.403 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 1.640 -1.041 -10.264 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 3.273 -0.923 -10.716 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 2.543 0.332 -9.836 1.00 10.00 H new ATOM 184 N ALA A 10 2.469 2.711 -8.536 1.00 10.00 N ATOM 185 CA ALA A 10 1.048 2.610 -8.156 1.00 10.00 C ATOM 186 C ALA A 10 0.682 3.488 -6.957 1.00 10.00 C ATOM 187 O ALA A 10 -0.075 4.452 -7.083 1.00 10.00 O ATOM 188 CB ALA A 10 0.675 1.155 -7.871 1.00 10.00 C ATOM 0 H ALA A 10 3.102 2.285 -7.859 1.00 10.00 H new ATOM 0 HA ALA A 10 0.474 2.979 -9.006 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.377 1.097 -7.592 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.847 0.554 -8.764 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.289 0.775 -7.054 1.00 10.00 H new ATOM 194 N CYS A 11 1.235 3.181 -5.782 1.00 10.00 N ATOM 195 CA CYS A 11 1.032 3.921 -4.537 1.00 10.00 C ATOM 196 C CYS A 11 1.858 5.233 -4.554 1.00 10.00 C ATOM 197 O CYS A 11 2.511 5.610 -3.583 1.00 10.00 O ATOM 198 CB CYS A 11 1.349 3.028 -3.344 1.00 10.00 C ATOM 199 SG CYS A 11 1.305 1.227 -3.633 1.00 10.00 S ATOM 0 H CYS A 11 1.858 2.382 -5.668 1.00 10.00 H new ATOM 0 HA CYS A 11 -0.014 4.213 -4.443 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.342 3.290 -2.978 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.643 3.262 -2.547 1.00 10.00 H new ATOM 0 HG CYS A 11 1.597 0.603 -2.530 1.00 10.00 H new ATOM 204 N THR A 12 1.832 5.940 -5.688 1.00 10.00 N ATOM 205 CA THR A 12 2.746 7.034 -6.018 1.00 10.00 C ATOM 206 C THR A 12 2.044 8.335 -6.368 1.00 10.00 C ATOM 207 O THR A 12 2.700 9.343 -6.625 1.00 10.00 O ATOM 208 CB THR A 12 3.663 6.609 -7.168 1.00 10.00 C ATOM 209 OG1 THR A 12 4.695 7.552 -7.292 1.00 10.00 O ATOM 210 CG2 THR A 12 2.919 6.516 -8.506 1.00 10.00 C ATOM 0 H THR A 12 1.151 5.759 -6.425 1.00 10.00 H new ATOM 0 HA THR A 12 3.327 7.235 -5.118 1.00 10.00 H new ATOM 0 HB THR A 12 4.052 5.618 -6.934 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.388 8.419 -6.955 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.614 6.211 -9.288 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.117 5.782 -8.426 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.496 7.489 -8.756 1.00 10.00 H new ATOM 218 N VAL A 13 0.716 8.301 -6.397 1.00 10.00 N ATOM 219 CA VAL A 13 -0.122 9.407 -6.825 1.00 10.00 C ATOM 220 C VAL A 13 -0.715 10.078 -5.583 1.00 10.00 C ATOM 221 O VAL A 13 -0.644 11.291 -5.405 1.00 10.00 O ATOM 222 CB VAL A 13 -1.195 8.847 -7.772 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.951 10.016 -8.388 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.581 8.004 -8.900 1.00 10.00 C ATOM 0 H VAL A 13 0.182 7.479 -6.115 1.00 10.00 H new ATOM 0 HA VAL A 13 0.440 10.168 -7.367 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.859 8.203 -7.195 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.718 9.638 -9.064 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.421 10.602 -7.598 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.256 10.646 -8.943 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.374 7.628 -9.546 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.101 8.621 -9.485 1.00 10.00 H new ATOM 0 HG23 VAL A 13 -0.034 7.165 -8.471 1.00 10.00 H new ATOM 234 N CYS A 14 -1.255 9.242 -4.697 1.00 10.00 N ATOM 235 CA CYS A 14 -1.772 9.608 -3.393 1.00 10.00 C ATOM 236 C CYS A 14 -0.649 9.638 -2.353 1.00 10.00 C ATOM 237 O CYS A 14 -0.303 10.695 -1.832 1.00 10.00 O ATOM 238 CB CYS A 14 -2.832 8.598 -3.054 1.00 10.00 C ATOM 239 SG CYS A 14 -4.432 9.059 -3.777 1.00 10.00 S ATOM 0 H CYS A 14 -1.345 8.244 -4.885 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.199 10.611 -3.399 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.533 7.616 -3.421 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.929 8.518 -1.971 1.00 10.00 H new ATOM 0 HG CYS A 14 -5.323 8.164 -3.466 1.00 10.00 H new ATOM 244 N HIS A 15 -0.068 8.476 -2.054 1.00 10.00 N ATOM 245 CA HIS A 15 0.752 8.250 -0.865 1.00 10.00 C ATOM 246 C HIS A 15 2.149 8.888 -0.914 1.00 10.00 C ATOM 247 O HIS A 15 2.781 9.069 0.127 1.00 10.00 O ATOM 248 CB HIS A 15 0.878 6.739 -0.681 1.00 10.00 C ATOM 249 CG HIS A 15 -0.365 6.075 -0.161 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.585 5.782 1.156 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.356 5.481 -0.894 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.658 4.978 1.217 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.203 4.803 -0.001 1.00 10.00 N ATOM 0 H HIS A 15 -0.156 7.649 -2.644 1.00 10.00 H new ATOM 0 HA HIS A 15 0.253 8.736 -0.026 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.143 6.289 -1.638 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.699 6.535 0.006 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -0.034 6.114 1.948 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.467 5.525 -1.967 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.035 4.530 2.125 1.00 10.00 H new ATOM 261 N SER A 16 2.635 9.222 -2.113 1.00 10.00 N ATOM 262 CA SER A 16 3.906 9.920 -2.291 1.00 10.00 C ATOM 263 C SER A 16 3.850 11.329 -1.686 1.00 10.00 C ATOM 264 O SER A 16 4.661 11.678 -0.831 1.00 10.00 O ATOM 265 CB SER A 16 4.269 9.960 -3.781 1.00 10.00 C ATOM 266 OG SER A 16 5.459 10.699 -3.974 1.00 10.00 O ATOM 0 H SER A 16 2.155 9.014 -2.988 1.00 10.00 H new ATOM 0 HA SER A 16 4.687 9.376 -1.760 1.00 10.00 H new ATOM 0 HB2 SER A 16 4.397 8.946 -4.159 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.456 10.412 -4.349 1.00 10.00 H new ATOM 0 HG SER A 16 5.682 10.717 -4.928 1.00 10.00 H new ATOM 272 N MET A 17 2.861 12.127 -2.110 1.00 10.00 N ATOM 273 CA MET A 17 2.690 13.511 -1.671 1.00 10.00 C ATOM 274 C MET A 17 1.668 13.651 -0.525 1.00 10.00 C ATOM 275 O MET A 17 1.656 14.657 0.179 1.00 10.00 O ATOM 276 CB MET A 17 2.291 14.361 -2.889 1.00 10.00 C ATOM 277 CG MET A 17 2.972 15.734 -2.865 1.00 10.00 C ATOM 278 SD MET A 17 4.738 15.718 -3.274 1.00 10.00 S ATOM 279 CE MET A 17 5.119 17.468 -3.086 1.00 10.00 C ATOM 0 H MET A 17 2.151 11.822 -2.776 1.00 10.00 H new ATOM 0 HA MET A 17 3.635 13.867 -1.261 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.562 13.836 -3.805 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.209 14.491 -2.904 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.458 16.391 -3.567 1.00 10.00 H new ATOM 0 HG3 MET A 17 2.848 16.168 -1.873 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.174 17.636 -3.302 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.510 18.049 -3.778 1.00 10.00 H new ATOM 0 HE3 MET A 17 4.904 17.779 -2.064 1.00 10.00 H new ATOM 289 N GLY A 18 0.793 12.654 -0.359 1.00 10.00 N ATOM 290 CA GLY A 18 -0.330 12.655 0.578 1.00 10.00 C ATOM 291 C GLY A 18 -1.589 13.298 -0.022 1.00 10.00 C ATOM 292 O GLY A 18 -2.297 14.049 0.648 1.00 10.00 O ATOM 0 H GLY A 18 0.852 11.790 -0.897 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.554 11.630 0.874 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.045 13.193 1.482 1.00 10.00 H new ATOM 296 N VAL A 19 -1.895 12.986 -1.287 1.00 10.00 N ATOM 297 CA VAL A 19 -3.098 13.458 -1.971 1.00 10.00 C ATOM 298 C VAL A 19 -4.286 12.579 -1.563 1.00 10.00 C ATOM 299 O VAL A 19 -4.118 11.486 -1.022 1.00 10.00 O ATOM 300 CB VAL A 19 -2.895 13.525 -3.503 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.043 14.253 -4.219 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.582 14.229 -3.854 1.00 10.00 C ATOM 0 H VAL A 19 -1.305 12.391 -1.869 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.313 14.481 -1.663 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.871 12.491 -3.846 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.850 14.271 -5.292 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.980 13.730 -4.028 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.115 15.275 -3.846 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.465 14.262 -4.937 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.597 15.245 -3.460 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.747 13.682 -3.415 1.00 10.00 H new ATOM 312 N ALA A 20 -5.498 13.104 -1.739 1.00 10.00 N ATOM 313 CA ALA A 20 -6.751 12.477 -1.319 1.00 10.00 C ATOM 314 C ALA A 20 -6.804 12.168 0.188 1.00 10.00 C ATOM 315 O ALA A 20 -7.589 11.334 0.631 1.00 10.00 O ATOM 316 CB ALA A 20 -7.025 11.238 -2.177 1.00 10.00 C ATOM 0 H ALA A 20 -5.640 14.007 -2.192 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.551 13.199 -1.483 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.959 10.775 -1.860 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -7.102 11.530 -3.224 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.209 10.526 -2.058 1.00 10.00 H new ATOM 322 N GLY A 21 -5.957 12.835 0.979 1.00 10.00 N ATOM 323 CA GLY A 21 -5.786 12.562 2.401 1.00 10.00 C ATOM 324 C GLY A 21 -5.036 11.254 2.677 1.00 10.00 C ATOM 325 O GLY A 21 -5.201 10.665 3.744 1.00 10.00 O ATOM 0 H GLY A 21 -5.363 13.591 0.639 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.244 13.388 2.861 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.766 12.519 2.877 1.00 10.00 H new ATOM 329 N ALA A 22 -4.214 10.775 1.734 1.00 10.00 N ATOM 330 CA ALA A 22 -3.512 9.513 1.920 1.00 10.00 C ATOM 331 C ALA A 22 -2.366 9.592 2.947 1.00 10.00 C ATOM 332 O ALA A 22 -1.668 10.602 3.041 1.00 10.00 O ATOM 333 CB ALA A 22 -3.012 8.967 0.588 1.00 10.00 C ATOM 0 H ALA A 22 -4.025 11.241 0.847 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.243 8.819 2.336 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.491 8.024 0.754 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.859 8.802 -0.078 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.328 9.684 0.134 1.00 10.00 H new ATOM 339 N PRO A 23 -2.155 8.501 3.696 1.00 10.00 N ATOM 340 CA PRO A 23 -1.131 8.364 4.719 1.00 10.00 C ATOM 341 C PRO A 23 0.232 8.176 4.064 1.00 10.00 C ATOM 342 O PRO A 23 0.337 7.547 3.010 1.00 10.00 O ATOM 343 CB PRO A 23 -1.541 7.113 5.476 1.00 10.00 C ATOM 344 CG PRO A 23 -2.208 6.241 4.429 1.00 10.00 C ATOM 345 CD PRO A 23 -2.956 7.296 3.628 1.00 10.00 C ATOM 0 HA PRO A 23 -1.049 9.236 5.368 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.678 6.615 5.917 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.225 7.348 6.292 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.486 5.695 3.823 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.878 5.502 4.870 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.091 6.977 2.595 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.950 7.466 4.042 1.00 10.00 H new ATOM 353 N LYS A 24 1.293 8.699 4.675 1.00 10.00 N ATOM 354 CA LYS A 24 2.559 8.794 3.959 1.00 10.00 C ATOM 355 C LYS A 24 3.159 7.411 3.657 1.00 10.00 C ATOM 356 O LYS A 24 2.952 6.425 4.381 1.00 10.00 O ATOM 357 CB LYS A 24 3.538 9.708 4.710 1.00 10.00 C ATOM 358 CG LYS A 24 3.066 11.175 4.718 1.00 10.00 C ATOM 359 CD LYS A 24 3.728 12.015 5.823 1.00 10.00 C ATOM 360 CE LYS A 24 5.258 12.080 5.710 1.00 10.00 C ATOM 361 NZ LYS A 24 5.865 12.630 6.941 1.00 10.00 N ATOM 0 H LYS A 24 1.303 9.052 5.632 1.00 10.00 H new ATOM 0 HA LYS A 24 2.362 9.251 2.989 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.648 9.357 5.736 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.522 9.646 4.245 1.00 10.00 H new ATOM 0 HG2 LYS A 24 3.282 11.625 3.749 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.984 11.202 4.848 1.00 10.00 H new ATOM 0 HD2 LYS A 24 3.326 13.028 5.789 1.00 10.00 H new ATOM 0 HD3 LYS A 24 3.461 11.599 6.794 1.00 10.00 H new ATOM 0 HE2 LYS A 24 5.654 11.082 5.522 1.00 10.00 H new ATOM 0 HE3 LYS A 24 5.536 12.699 4.857 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 6.899 12.661 6.834 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 5.505 13.592 7.106 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 5.619 12.024 7.750 1.00 10.00 H new ATOM 375 N SER A 25 3.938 7.372 2.572 1.00 10.00 N ATOM 376 CA SER A 25 4.830 6.277 2.202 1.00 10.00 C ATOM 377 C SER A 25 5.730 5.829 3.366 1.00 10.00 C ATOM 378 O SER A 25 6.048 4.651 3.480 1.00 10.00 O ATOM 379 CB SER A 25 5.678 6.756 1.019 1.00 10.00 C ATOM 380 OG SER A 25 6.368 7.934 1.400 1.00 10.00 O ATOM 0 H SER A 25 3.963 8.139 1.900 1.00 10.00 H new ATOM 0 HA SER A 25 4.234 5.405 1.933 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.387 5.982 0.724 1.00 10.00 H new ATOM 0 HB3 SER A 25 5.044 6.953 0.155 1.00 10.00 H new ATOM 0 HG SER A 25 6.916 8.249 0.651 1.00 10.00 H new ATOM 386 N HIS A 26 6.126 6.766 4.234 1.00 10.00 N ATOM 387 CA HIS A 26 7.023 6.540 5.364 1.00 10.00 C ATOM 388 C HIS A 26 6.608 7.357 6.600 1.00 10.00 C ATOM 389 O HIS A 26 7.235 8.348 6.967 1.00 10.00 O ATOM 390 CB HIS A 26 8.481 6.761 4.925 1.00 10.00 C ATOM 391 CG HIS A 26 8.846 8.119 4.363 1.00 10.00 C ATOM 392 ND1 HIS A 26 10.096 8.467 3.908 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.049 9.231 4.243 1.00 10.00 C ATOM 394 CE1 HIS A 26 10.054 9.756 3.533 1.00 10.00 C ATOM 395 NE2 HIS A 26 8.827 10.267 3.722 1.00 10.00 N ATOM 0 H HIS A 26 5.818 7.736 4.163 1.00 10.00 H new ATOM 0 HA HIS A 26 6.943 5.501 5.684 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.123 6.570 5.785 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.723 6.010 4.173 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.003 9.293 4.506 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.893 10.306 3.134 1.00 10.00 H new ATOM 0 HE2 HIS A 26 8.524 11.221 3.525 1.00 10.00 H new ATOM 403 N ASN A 27 5.533 6.918 7.254 1.00 10.00 N ATOM 404 CA ASN A 27 5.127 7.365 8.584 1.00 10.00 C ATOM 405 C ASN A 27 5.497 6.282 9.608 1.00 10.00 C ATOM 406 O ASN A 27 5.762 5.144 9.229 1.00 10.00 O ATOM 407 CB ASN A 27 3.604 7.605 8.581 1.00 10.00 C ATOM 408 CG ASN A 27 3.187 9.041 8.294 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.966 9.974 8.464 1.00 10.00 O ATOM 410 ND2 ASN A 27 1.948 9.255 7.866 1.00 10.00 N ATOM 0 H ASN A 27 4.902 6.220 6.860 1.00 10.00 H new ATOM 0 HA ASN A 27 5.635 8.292 8.850 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.149 6.953 7.836 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.202 7.311 9.550 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.632 10.206 7.674 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.313 8.469 7.730 1.00 10.00 H new ATOM 417 N THR A 28 5.465 6.615 10.904 1.00 10.00 N ATOM 418 CA THR A 28 5.523 5.602 11.968 1.00 10.00 C ATOM 419 C THR A 28 4.186 5.474 12.712 1.00 10.00 C ATOM 420 O THR A 28 3.693 4.371 12.928 1.00 10.00 O ATOM 421 CB THR A 28 6.664 5.961 12.935 1.00 10.00 C ATOM 422 OG1 THR A 28 6.807 4.929 13.878 1.00 10.00 O ATOM 423 CG2 THR A 28 6.459 7.280 13.692 1.00 10.00 C ATOM 0 H THR A 28 5.399 7.575 11.242 1.00 10.00 H new ATOM 0 HA THR A 28 5.718 4.629 11.516 1.00 10.00 H new ATOM 0 HB THR A 28 7.554 6.086 12.319 1.00 10.00 H new ATOM 0 HG1 THR A 28 7.534 5.150 14.497 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.309 7.457 14.351 1.00 10.00 H new ATOM 0 HG22 THR A 28 6.376 8.100 12.979 1.00 10.00 H new ATOM 0 HG23 THR A 28 5.546 7.221 14.285 1.00 10.00 H new ATOM 431 N ALA A 29 3.473 6.590 12.906 1.00 10.00 N ATOM 432 CA ALA A 29 2.218 6.604 13.659 1.00 10.00 C ATOM 433 C ALA A 29 1.028 6.117 12.826 1.00 10.00 C ATOM 434 O ALA A 29 0.027 5.655 13.362 1.00 10.00 O ATOM 435 CB ALA A 29 1.969 8.019 14.166 1.00 10.00 C ATOM 0 H ALA A 29 3.750 7.503 12.546 1.00 10.00 H new ATOM 0 HA ALA A 29 2.313 5.911 14.495 1.00 10.00 H new ATOM 0 HB1 ALA A 29 1.036 8.045 14.729 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.792 8.324 14.812 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.900 8.702 13.319 1.00 10.00 H new ATOM 441 N ASP A 30 1.146 6.227 11.505 1.00 10.00 N ATOM 442 CA ASP A 30 0.154 5.798 10.540 1.00 10.00 C ATOM 443 C ASP A 30 0.230 4.273 10.329 1.00 10.00 C ATOM 444 O ASP A 30 -0.763 3.607 10.045 1.00 10.00 O ATOM 445 CB ASP A 30 0.501 6.597 9.282 1.00 10.00 C ATOM 446 CG ASP A 30 -0.684 7.040 8.482 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.677 6.286 8.422 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.486 8.111 7.868 1.00 10.00 O ATOM 0 H ASP A 30 1.972 6.635 11.066 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.874 5.981 10.853 1.00 10.00 H new ATOM 0 HB2 ASP A 30 1.077 7.476 9.572 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.146 5.989 8.647 1.00 10.00 H new ATOM 453 N TRP A 31 1.441 3.730 10.499 1.00 10.00 N ATOM 454 CA TRP A 31 1.784 2.322 10.350 1.00 10.00 C ATOM 455 C TRP A 31 1.612 1.562 11.688 1.00 10.00 C ATOM 456 O TRP A 31 1.072 0.454 11.686 1.00 10.00 O ATOM 457 CB TRP A 31 3.189 2.231 9.715 1.00 10.00 C ATOM 458 CG TRP A 31 3.303 2.786 8.307 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.295 4.105 8.002 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.365 2.102 7.009 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.321 4.297 6.636 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.341 3.093 5.977 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.427 0.756 6.576 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.299 2.773 4.615 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.272 0.424 5.215 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.145 1.432 4.246 1.00 10.00 C ATOM 0 H TRP A 31 2.248 4.297 10.758 1.00 10.00 H new ATOM 0 HA TRP A 31 1.097 1.814 9.673 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.894 2.762 10.355 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.496 1.185 9.701 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.271 4.901 8.731 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.325 5.209 6.178 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.596 -0.028 7.299 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.384 3.545 3.865 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.251 -0.613 4.915 1.00 10.00 H new ATOM 0 HH2 TRP A 31 2.929 1.173 3.220 1.00 10.00 H new ATOM 477 N GLU A 32 1.961 2.161 12.841 1.00 10.00 N ATOM 478 CA GLU A 32 1.745 1.581 14.180 1.00 10.00 C ATOM 479 C GLU A 32 0.398 0.839 14.354 1.00 10.00 C ATOM 480 O GLU A 32 0.393 -0.370 14.590 1.00 10.00 O ATOM 481 CB GLU A 32 1.910 2.668 15.259 1.00 10.00 C ATOM 482 CG GLU A 32 3.275 2.624 15.960 1.00 10.00 C ATOM 483 CD GLU A 32 3.383 3.688 17.049 1.00 10.00 C ATOM 484 OE1 GLU A 32 2.546 3.626 17.976 1.00 10.00 O ATOM 485 OE2 GLU A 32 4.284 4.543 16.926 1.00 10.00 O ATOM 0 H GLU A 32 2.409 3.077 12.869 1.00 10.00 H new ATOM 0 HA GLU A 32 2.510 0.813 14.298 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.776 3.648 14.801 1.00 10.00 H new ATOM 0 HB3 GLU A 32 1.123 2.553 16.004 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.428 1.638 16.398 1.00 10.00 H new ATOM 0 HG3 GLU A 32 4.067 2.773 15.226 1.00 10.00 H new ATOM 492 N PRO A 33 -0.758 1.517 14.217 1.00 10.00 N ATOM 493 CA PRO A 33 -2.073 0.911 14.414 1.00 10.00 C ATOM 494 C PRO A 33 -2.465 -0.096 13.318 1.00 10.00 C ATOM 495 O PRO A 33 -3.536 -0.693 13.394 1.00 10.00 O ATOM 496 CB PRO A 33 -3.048 2.093 14.480 1.00 10.00 C ATOM 497 CG PRO A 33 -2.367 3.158 13.622 1.00 10.00 C ATOM 498 CD PRO A 33 -0.893 2.936 13.935 1.00 10.00 C ATOM 0 HA PRO A 33 -2.084 0.310 15.323 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.030 1.827 14.088 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.196 2.436 15.504 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.582 3.024 12.562 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -2.692 4.164 13.889 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.266 3.229 13.093 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.580 3.536 14.789 1.00 10.00 H new ATOM 506 N ARG A 34 -1.624 -0.297 12.299 1.00 10.00 N ATOM 507 CA ARG A 34 -1.814 -1.261 11.223 1.00 10.00 C ATOM 508 C ARG A 34 -0.983 -2.527 11.539 1.00 10.00 C ATOM 509 O ARG A 34 -1.510 -3.644 11.587 1.00 10.00 O ATOM 510 CB ARG A 34 -1.422 -0.575 9.903 1.00 10.00 C ATOM 511 CG ARG A 34 -2.029 0.835 9.688 1.00 10.00 C ATOM 512 CD ARG A 34 -3.496 0.791 9.234 1.00 10.00 C ATOM 513 NE ARG A 34 -3.964 2.067 8.631 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.413 3.150 9.280 1.00 10.00 C ATOM 515 NH1 ARG A 34 -4.348 3.192 10.603 1.00 10.00 N ATOM 516 NH2 ARG A 34 -4.945 4.188 8.639 1.00 10.00 N ATOM 0 H ARG A 34 -0.757 0.232 12.202 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.850 -1.586 11.128 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.336 -0.496 9.862 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.727 -1.215 9.075 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -1.958 1.401 10.617 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.439 1.369 8.943 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.620 -0.013 8.508 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -4.127 0.549 10.089 1.00 10.00 H new ATOM 0 HE ARG A 34 -3.941 2.124 7.613 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -3.958 2.404 11.120 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -4.688 4.013 11.104 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -5.021 4.175 7.622 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -5.277 4.997 9.165 1.00 10.00 H new ATOM 530 N LEU A 35 0.289 -2.326 11.922 1.00 10.00 N ATOM 531 CA LEU A 35 1.222 -3.353 12.415 1.00 10.00 C ATOM 532 C LEU A 35 0.738 -4.066 13.691 1.00 10.00 C ATOM 533 O LEU A 35 1.312 -5.068 14.109 1.00 10.00 O ATOM 534 CB LEU A 35 2.609 -2.724 12.682 1.00 10.00 C ATOM 535 CG LEU A 35 3.746 -3.347 11.858 1.00 10.00 C ATOM 536 CD1 LEU A 35 5.046 -2.588 12.137 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.961 -4.834 12.155 1.00 10.00 C ATOM 0 H LEU A 35 0.715 -1.399 11.895 1.00 10.00 H new ATOM 0 HA LEU A 35 1.282 -4.107 11.631 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.560 -1.657 12.466 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.844 -2.825 13.741 1.00 10.00 H new ATOM 0 HG LEU A 35 3.459 -3.267 10.809 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.856 -3.027 11.554 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.924 -1.542 11.858 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.286 -2.654 13.198 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.778 -5.213 11.541 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.210 -4.962 13.208 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.049 -5.386 11.927 1.00 10.00 H new ATOM 549 N ALA A 36 -0.326 -3.552 14.311 1.00 10.00 N ATOM 550 CA ALA A 36 -0.948 -4.104 15.500 1.00 10.00 C ATOM 551 C ALA A 36 -1.770 -5.335 15.121 1.00 10.00 C ATOM 552 O ALA A 36 -1.949 -6.238 15.934 1.00 10.00 O ATOM 553 CB ALA A 36 -1.829 -3.026 16.132 1.00 10.00 C ATOM 0 H ALA A 36 -0.791 -2.707 13.980 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.192 -4.413 16.222 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.305 -3.424 17.028 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.216 -2.165 16.399 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.595 -2.719 15.420 1.00 10.00 H new ATOM 559 N LYS A 37 -2.257 -5.365 13.873 1.00 10.00 N ATOM 560 CA LYS A 37 -2.860 -6.549 13.292 1.00 10.00 C ATOM 561 C LYS A 37 -1.814 -7.362 12.524 1.00 10.00 C ATOM 562 O LYS A 37 -1.623 -8.545 12.788 1.00 10.00 O ATOM 563 CB LYS A 37 -4.055 -6.156 12.416 1.00 10.00 C ATOM 564 CG LYS A 37 -5.159 -5.518 13.268 1.00 10.00 C ATOM 565 CD LYS A 37 -6.446 -5.383 12.447 1.00 10.00 C ATOM 566 CE LYS A 37 -7.568 -4.818 13.327 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.860 -4.795 12.608 1.00 10.00 N ATOM 0 H LYS A 37 -2.239 -4.561 13.245 1.00 10.00 H new ATOM 0 HA LYS A 37 -3.238 -7.191 14.088 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.733 -5.457 11.644 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.445 -7.037 11.906 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.345 -6.128 14.152 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -4.838 -4.537 13.619 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.276 -4.727 11.593 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -6.738 -6.355 12.049 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.663 -5.422 14.230 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.309 -3.808 13.645 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.597 -4.408 13.231 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.775 -4.199 11.760 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -9.118 -5.762 12.327 1.00 10.00 H new ATOM 581 N GLY A 38 -1.153 -6.732 11.546 1.00 10.00 N ATOM 582 CA GLY A 38 -0.128 -7.392 10.739 1.00 10.00 C ATOM 583 C GLY A 38 0.208 -6.583 9.486 1.00 10.00 C ATOM 584 O GLY A 38 0.577 -5.420 9.599 1.00 10.00 O ATOM 0 H GLY A 38 -1.314 -5.757 11.295 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.773 -7.530 11.336 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -0.474 -8.384 10.450 1.00 10.00 H new ATOM 588 N VAL A 39 0.056 -7.182 8.299 1.00 10.00 N ATOM 589 CA VAL A 39 0.365 -6.535 7.020 1.00 10.00 C ATOM 590 C VAL A 39 -0.506 -7.095 5.885 1.00 10.00 C ATOM 591 O VAL A 39 -1.311 -6.363 5.303 1.00 10.00 O ATOM 592 CB VAL A 39 1.882 -6.584 6.768 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.487 -7.990 6.705 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.272 -5.823 5.502 1.00 10.00 C ATOM 0 H VAL A 39 -0.288 -8.137 8.199 1.00 10.00 H new ATOM 0 HA VAL A 39 0.102 -5.478 7.058 1.00 10.00 H new ATOM 0 HB VAL A 39 2.301 -6.100 7.650 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.559 -7.917 6.524 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.313 -8.504 7.650 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.020 -8.551 5.896 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.351 -5.882 5.360 1.00 10.00 H new ATOM 0 HG22 VAL A 39 1.768 -6.265 4.642 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.975 -4.779 5.599 1.00 10.00 H new ATOM 604 N ASP A 40 -0.473 -8.416 5.662 1.00 10.00 N ATOM 605 CA ASP A 40 -1.365 -9.121 4.743 1.00 10.00 C ATOM 606 C ASP A 40 -2.874 -8.964 5.047 1.00 10.00 C ATOM 607 O ASP A 40 -3.697 -9.516 4.325 1.00 10.00 O ATOM 608 CB ASP A 40 -0.963 -10.603 4.702 1.00 10.00 C ATOM 609 CG ASP A 40 0.462 -10.815 4.226 1.00 10.00 C ATOM 610 OD1 ASP A 40 1.351 -10.679 5.091 1.00 10.00 O ATOM 611 OD2 ASP A 40 0.630 -11.121 3.026 1.00 10.00 O ATOM 0 H ASP A 40 0.191 -9.034 6.128 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.238 -8.655 3.766 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.076 -11.033 5.697 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.645 -11.141 4.043 1.00 10.00 H new ATOM 616 N ASN A 41 -3.260 -8.192 6.071 1.00 10.00 N ATOM 617 CA ASN A 41 -4.628 -7.718 6.255 1.00 10.00 C ATOM 618 C ASN A 41 -4.968 -6.683 5.178 1.00 10.00 C ATOM 619 O ASN A 41 -5.900 -6.851 4.397 1.00 10.00 O ATOM 620 CB ASN A 41 -4.798 -7.082 7.654 1.00 10.00 C ATOM 621 CG ASN A 41 -3.956 -7.719 8.743 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.049 -6.946 9.321 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.119 -8.881 9.086 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.620 -7.878 6.801 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.304 -8.569 6.170 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.546 -6.023 7.591 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.848 -7.143 7.942 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.825 -9.455 8.624 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.549 -9.277 9.834 1.00 10.00 H new ATOM 630 N LEU A 42 -4.209 -5.590 5.127 1.00 10.00 N ATOM 631 CA LEU A 42 -4.603 -4.420 4.356 1.00 10.00 C ATOM 632 C LEU A 42 -4.289 -4.610 2.869 1.00 10.00 C ATOM 633 O LEU A 42 -4.980 -4.070 2.008 1.00 10.00 O ATOM 634 CB LEU A 42 -4.018 -3.155 4.988 1.00 10.00 C ATOM 635 CG LEU A 42 -4.482 -3.010 6.455 1.00 10.00 C ATOM 636 CD1 LEU A 42 -3.387 -3.378 7.465 1.00 10.00 C ATOM 637 CD2 LEU A 42 -4.912 -1.570 6.733 1.00 10.00 C ATOM 0 H LEU A 42 -3.317 -5.493 5.612 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.685 -4.292 4.392 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.929 -3.193 4.948 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -4.328 -2.280 4.416 1.00 10.00 H new ATOM 0 HG LEU A 42 -5.315 -3.702 6.579 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -3.771 -3.257 8.478 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -3.085 -4.414 7.313 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -2.526 -2.725 7.323 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -5.237 -1.481 7.770 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -4.071 -0.899 6.557 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -5.735 -1.302 6.071 1.00 10.00 H new ATOM 649 N VAL A 43 -3.369 -5.528 2.556 1.00 10.00 N ATOM 650 CA VAL A 43 -3.181 -6.078 1.223 1.00 10.00 C ATOM 651 C VAL A 43 -4.451 -6.771 0.687 1.00 10.00 C ATOM 652 O VAL A 43 -4.568 -7.020 -0.512 1.00 10.00 O ATOM 653 CB VAL A 43 -1.936 -6.978 1.196 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.272 -8.466 1.221 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.090 -6.695 -0.050 1.00 10.00 C ATOM 0 H VAL A 43 -2.722 -5.914 3.244 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.003 -5.255 0.531 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.379 -6.740 2.102 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.350 -9.048 1.200 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.827 -8.698 2.130 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.879 -8.717 0.351 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.213 -7.343 -0.049 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.683 -6.888 -0.944 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.771 -5.653 -0.044 1.00 10.00 H new ATOM 665 N LYS A 44 -5.424 -7.079 1.556 1.00 10.00 N ATOM 666 CA LYS A 44 -6.758 -7.500 1.129 1.00 10.00 C ATOM 667 C LYS A 44 -7.656 -6.296 0.786 1.00 10.00 C ATOM 668 O LYS A 44 -8.446 -6.356 -0.153 1.00 10.00 O ATOM 669 CB LYS A 44 -7.413 -8.427 2.163 1.00 10.00 C ATOM 670 CG LYS A 44 -6.492 -9.564 2.632 1.00 10.00 C ATOM 671 CD LYS A 44 -6.228 -10.646 1.571 1.00 10.00 C ATOM 672 CE LYS A 44 -4.746 -10.787 1.197 1.00 10.00 C ATOM 673 NZ LYS A 44 -4.442 -12.107 0.608 1.00 10.00 N ATOM 0 H LYS A 44 -5.306 -7.042 2.568 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.638 -8.075 0.211 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.719 -7.837 3.027 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -8.318 -8.856 1.734 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -5.538 -9.138 2.944 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.934 -10.034 3.511 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -6.594 -11.604 1.941 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -6.800 -10.411 0.674 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -4.476 -10.004 0.488 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -4.133 -10.638 2.086 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -3.899 -11.979 -0.269 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -3.883 -12.668 1.283 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -5.330 -12.605 0.396 1.00 10.00 H new ATOM 687 N SER A 45 -7.512 -5.182 1.510 1.00 10.00 N ATOM 688 CA SER A 45 -8.265 -3.952 1.258 1.00 10.00 C ATOM 689 C SER A 45 -7.807 -3.310 -0.047 1.00 10.00 C ATOM 690 O SER A 45 -8.613 -2.929 -0.891 1.00 10.00 O ATOM 691 CB SER A 45 -8.062 -2.982 2.419 1.00 10.00 C ATOM 692 OG SER A 45 -9.026 -1.954 2.402 1.00 10.00 O ATOM 0 H SER A 45 -6.864 -5.109 2.294 1.00 10.00 H new ATOM 0 HA SER A 45 -9.324 -4.194 1.172 1.00 10.00 H new ATOM 0 HB2 SER A 45 -8.122 -3.524 3.363 1.00 10.00 H new ATOM 0 HB3 SER A 45 -7.064 -2.548 2.363 1.00 10.00 H new ATOM 0 HG SER A 45 -8.872 -1.349 3.158 1.00 10.00 H new ATOM 698 N VAL A 46 -6.488 -3.248 -0.244 1.00 10.00 N ATOM 699 CA VAL A 46 -5.885 -2.651 -1.427 1.00 10.00 C ATOM 700 C VAL A 46 -6.361 -3.341 -2.715 1.00 10.00 C ATOM 701 O VAL A 46 -6.707 -2.680 -3.694 1.00 10.00 O ATOM 702 CB VAL A 46 -4.357 -2.651 -1.219 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.777 -4.026 -1.502 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.581 -1.675 -2.084 1.00 10.00 C ATOM 0 H VAL A 46 -5.807 -3.615 0.421 1.00 10.00 H new ATOM 0 HA VAL A 46 -6.206 -1.618 -1.559 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.243 -2.345 -0.179 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.698 -4.004 -1.349 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -4.224 -4.756 -0.827 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.992 -4.306 -2.533 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.517 -1.756 -1.859 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.748 -1.908 -3.136 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.919 -0.659 -1.879 1.00 10.00 H new ATOM 714 N LYS A 47 -6.453 -4.675 -2.693 1.00 10.00 N ATOM 715 CA LYS A 47 -6.901 -5.445 -3.844 1.00 10.00 C ATOM 716 C LYS A 47 -8.406 -5.256 -4.107 1.00 10.00 C ATOM 717 O LYS A 47 -8.863 -5.331 -5.241 1.00 10.00 O ATOM 718 CB LYS A 47 -6.455 -6.905 -3.704 1.00 10.00 C ATOM 719 CG LYS A 47 -7.512 -7.837 -3.112 1.00 10.00 C ATOM 720 CD LYS A 47 -6.858 -8.966 -2.311 1.00 10.00 C ATOM 721 CE LYS A 47 -6.458 -10.231 -3.089 1.00 10.00 C ATOM 722 NZ LYS A 47 -5.145 -10.120 -3.763 1.00 10.00 N ATOM 0 H LYS A 47 -6.219 -5.243 -1.879 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.421 -5.064 -4.745 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.168 -7.280 -4.686 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.565 -6.941 -3.076 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.183 -7.269 -2.467 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.120 -8.259 -3.912 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.965 -8.567 -1.830 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.544 -9.259 -1.516 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -6.435 -11.078 -2.403 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -7.223 -10.446 -3.835 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -5.250 -10.360 -4.769 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -4.791 -9.146 -3.675 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -4.470 -10.775 -3.319 1.00 10.00 H new ATOM 736 N THR A 48 -9.165 -4.976 -3.047 1.00 10.00 N ATOM 737 CA THR A 48 -10.584 -4.611 -3.105 1.00 10.00 C ATOM 738 C THR A 48 -10.800 -3.163 -3.568 1.00 10.00 C ATOM 739 O THR A 48 -11.778 -2.880 -4.256 1.00 10.00 O ATOM 740 CB THR A 48 -11.233 -4.869 -1.734 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.400 -6.262 -1.579 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.600 -4.204 -1.561 1.00 10.00 C ATOM 0 H THR A 48 -8.800 -4.997 -2.095 1.00 10.00 H new ATOM 0 HA THR A 48 -11.067 -5.238 -3.854 1.00 10.00 H new ATOM 0 HB THR A 48 -10.571 -4.437 -0.984 1.00 10.00 H new ATOM 0 HG1 THR A 48 -11.811 -6.447 -0.709 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.993 -4.432 -0.570 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.496 -3.125 -1.671 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.287 -4.581 -2.319 1.00 10.00 H new ATOM 750 N GLY A 49 -9.902 -2.248 -3.189 1.00 10.00 N ATOM 751 CA GLY A 49 -10.080 -0.808 -3.378 1.00 10.00 C ATOM 752 C GLY A 49 -10.969 -0.199 -2.299 1.00 10.00 C ATOM 753 O GLY A 49 -12.188 -0.356 -2.319 1.00 10.00 O ATOM 0 H GLY A 49 -9.021 -2.491 -2.737 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.107 -0.317 -3.366 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.519 -0.622 -4.358 1.00 10.00 H new ATOM 757 N LEU A 50 -10.363 0.519 -1.354 1.00 10.00 N ATOM 758 CA LEU A 50 -11.114 1.319 -0.393 1.00 10.00 C ATOM 759 C LEU A 50 -11.796 2.501 -1.102 1.00 10.00 C ATOM 760 O LEU A 50 -11.587 2.737 -2.281 1.00 10.00 O ATOM 761 CB LEU A 50 -10.145 1.758 0.714 1.00 10.00 C ATOM 762 CG LEU A 50 -10.764 2.072 2.083 1.00 10.00 C ATOM 763 CD1 LEU A 50 -11.484 0.851 2.670 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.627 2.477 3.021 1.00 10.00 C ATOM 0 H LEU A 50 -9.351 0.562 -1.235 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.917 0.740 0.063 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.402 0.972 0.848 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.613 2.644 0.369 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.499 2.869 1.970 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -11.910 1.111 3.639 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -12.281 0.540 1.995 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -10.773 0.034 2.793 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.033 2.708 4.006 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.915 1.656 3.105 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.122 3.356 2.622 1.00 10.00 H new ATOM 776 N ASN A 51 -12.615 3.272 -0.392 1.00 10.00 N ATOM 777 CA ASN A 51 -13.452 4.337 -0.967 1.00 10.00 C ATOM 778 C ASN A 51 -12.675 5.284 -1.881 1.00 10.00 C ATOM 779 O ASN A 51 -13.014 5.508 -3.039 1.00 10.00 O ATOM 780 CB ASN A 51 -14.113 5.154 0.152 1.00 10.00 C ATOM 781 CG ASN A 51 -14.719 4.201 1.159 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.904 3.840 2.139 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.815 3.687 0.993 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.722 3.178 0.618 1.00 10.00 H new ATOM 0 HA ASN A 51 -14.206 3.838 -1.575 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.377 5.796 0.636 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.883 5.806 -0.261 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -16.412 3.995 0.225 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -16.133 2.950 1.622 1.00 10.00 H new ATOM 790 N ALA A 52 -11.609 5.834 -1.309 1.00 10.00 N ATOM 791 CA ALA A 52 -10.649 6.699 -1.974 1.00 10.00 C ATOM 792 C ALA A 52 -9.490 5.919 -2.631 1.00 10.00 C ATOM 793 O ALA A 52 -8.467 6.517 -2.961 1.00 10.00 O ATOM 794 CB ALA A 52 -10.154 7.690 -0.923 1.00 10.00 C ATOM 0 H ALA A 52 -11.383 5.680 -0.326 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.127 7.219 -2.804 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.427 8.366 -1.374 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.997 8.266 -0.541 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.684 7.147 -0.103 1.00 10.00 H new ATOM 800 N MET A 53 -9.639 4.598 -2.818 1.00 10.00 N ATOM 801 CA MET A 53 -8.657 3.743 -3.507 1.00 10.00 C ATOM 802 C MET A 53 -9.208 2.963 -4.722 1.00 10.00 C ATOM 803 O MET A 53 -10.332 2.472 -4.705 1.00 10.00 O ATOM 804 CB MET A 53 -8.030 2.783 -2.482 1.00 10.00 C ATOM 805 CG MET A 53 -6.572 3.151 -2.211 1.00 10.00 C ATOM 806 SD MET A 53 -5.952 2.714 -0.579 1.00 10.00 S ATOM 807 CE MET A 53 -5.866 0.925 -0.710 1.00 10.00 C ATOM 0 H MET A 53 -10.457 4.085 -2.490 1.00 10.00 H new ATOM 0 HA MET A 53 -7.907 4.411 -3.931 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.597 2.817 -1.552 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.088 1.760 -2.853 1.00 10.00 H new ATOM 0 HG2 MET A 53 -5.948 2.664 -2.960 1.00 10.00 H new ATOM 0 HG3 MET A 53 -6.455 4.226 -2.349 1.00 10.00 H new ATOM 0 HE1 MET A 53 -4.951 0.569 -0.237 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.728 0.482 -0.212 1.00 10.00 H new ATOM 0 HE3 MET A 53 -5.866 0.637 -1.761 1.00 10.00 H new ATOM 817 N PRO A 54 -8.414 2.798 -5.797 1.00 10.00 N ATOM 818 CA PRO A 54 -8.838 2.025 -6.954 1.00 10.00 C ATOM 819 C PRO A 54 -8.917 0.526 -6.612 1.00 10.00 C ATOM 820 O PRO A 54 -8.043 0.010 -5.910 1.00 10.00 O ATOM 821 CB PRO A 54 -7.789 2.314 -8.034 1.00 10.00 C ATOM 822 CG PRO A 54 -6.528 2.605 -7.221 1.00 10.00 C ATOM 823 CD PRO A 54 -7.067 3.315 -5.984 1.00 10.00 C ATOM 0 HA PRO A 54 -9.837 2.299 -7.292 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.652 1.463 -8.701 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.073 3.163 -8.655 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.997 1.690 -6.960 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -5.829 3.233 -7.773 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.444 3.113 -5.113 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.077 4.396 -6.125 1.00 10.00 H new ATOM 831 N PRO A 55 -9.940 -0.196 -7.105 1.00 10.00 N ATOM 832 CA PRO A 55 -10.073 -1.630 -6.890 1.00 10.00 C ATOM 833 C PRO A 55 -8.873 -2.349 -7.489 1.00 10.00 C ATOM 834 O PRO A 55 -8.604 -2.198 -8.680 1.00 10.00 O ATOM 835 CB PRO A 55 -11.411 -2.020 -7.524 1.00 10.00 C ATOM 836 CG PRO A 55 -11.596 -0.977 -8.625 1.00 10.00 C ATOM 837 CD PRO A 55 -10.971 0.280 -8.016 1.00 10.00 C ATOM 0 HA PRO A 55 -10.080 -1.914 -5.838 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -11.385 -3.032 -7.929 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -12.224 -1.988 -6.799 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -11.095 -1.271 -9.547 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.648 -0.828 -8.867 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.546 0.920 -8.789 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.718 0.872 -7.487 1.00 10.00 H new ATOM 845 N GLY A 56 -8.102 -3.076 -6.669 1.00 10.00 N ATOM 846 CA GLY A 56 -6.893 -3.693 -7.181 1.00 10.00 C ATOM 847 C GLY A 56 -5.685 -2.759 -7.121 1.00 10.00 C ATOM 848 O GLY A 56 -4.655 -3.072 -7.713 1.00 10.00 O ATOM 0 H GLY A 56 -8.293 -3.242 -5.681 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.679 -4.595 -6.607 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -7.057 -4.003 -8.213 1.00 10.00 H new ATOM 852 N GLY A 57 -5.761 -1.629 -6.408 1.00 10.00 N ATOM 853 CA GLY A 57 -4.605 -0.769 -6.144 1.00 10.00 C ATOM 854 C GLY A 57 -3.928 -0.201 -7.405 1.00 10.00 C ATOM 855 O GLY A 57 -2.808 0.297 -7.330 1.00 10.00 O ATOM 0 H GLY A 57 -6.629 -1.286 -5.997 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.923 0.061 -5.513 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.868 -1.337 -5.576 1.00 10.00 H new ATOM 859 N MET A 58 -4.606 -0.284 -8.558 1.00 10.00 N ATOM 860 CA MET A 58 -4.141 0.095 -9.893 1.00 10.00 C ATOM 861 C MET A 58 -2.685 -0.317 -10.206 1.00 10.00 C ATOM 862 O MET A 58 -1.908 0.453 -10.769 1.00 10.00 O ATOM 863 CB MET A 58 -4.441 1.583 -10.131 1.00 10.00 C ATOM 864 CG MET A 58 -4.852 1.862 -11.583 1.00 10.00 C ATOM 865 SD MET A 58 -5.078 3.612 -11.986 1.00 10.00 S ATOM 866 CE MET A 58 -5.912 3.466 -13.576 1.00 10.00 C ATOM 0 H MET A 58 -5.560 -0.643 -8.580 1.00 10.00 H new ATOM 0 HA MET A 58 -4.705 -0.487 -10.622 1.00 10.00 H new ATOM 0 HB2 MET A 58 -5.238 1.904 -9.461 1.00 10.00 H new ATOM 0 HB3 MET A 58 -3.559 2.175 -9.884 1.00 10.00 H new ATOM 0 HG2 MET A 58 -4.094 1.446 -12.247 1.00 10.00 H new ATOM 0 HG3 MET A 58 -5.782 1.333 -11.790 1.00 10.00 H new ATOM 0 HE1 MET A 58 -6.126 4.461 -13.967 1.00 10.00 H new ATOM 0 HE2 MET A 58 -5.270 2.931 -14.276 1.00 10.00 H new ATOM 0 HE3 MET A 58 -6.846 2.918 -13.448 1.00 10.00 H new ATOM 876 N CYS A 59 -2.325 -1.563 -9.877 1.00 10.00 N ATOM 877 CA CYS A 59 -0.996 -2.141 -10.123 1.00 10.00 C ATOM 878 C CYS A 59 -1.016 -3.320 -11.113 1.00 10.00 C ATOM 879 O CYS A 59 -0.105 -4.145 -11.107 1.00 10.00 O ATOM 880 CB CYS A 59 -0.317 -2.490 -8.783 1.00 10.00 C ATOM 881 SG CYS A 59 -1.378 -3.241 -7.529 1.00 10.00 S ATOM 0 H CYS A 59 -2.964 -2.214 -9.421 1.00 10.00 H new ATOM 0 HA CYS A 59 -0.392 -1.383 -10.621 1.00 10.00 H new ATOM 0 HB2 CYS A 59 0.511 -3.170 -8.984 1.00 10.00 H new ATOM 0 HB3 CYS A 59 0.113 -1.578 -8.368 1.00 10.00 H new ATOM 886 N THR A 60 -2.018 -3.377 -11.993 1.00 10.00 N ATOM 887 CA THR A 60 -2.131 -4.406 -13.032 1.00 10.00 C ATOM 888 C THR A 60 -2.334 -5.799 -12.392 1.00 10.00 C ATOM 889 O THR A 60 -3.201 -5.944 -11.531 1.00 10.00 O ATOM 890 CB THR A 60 -0.952 -4.297 -14.028 1.00 10.00 C ATOM 891 OG1 THR A 60 -0.641 -2.939 -14.284 1.00 10.00 O ATOM 892 CG2 THR A 60 -1.299 -4.907 -15.388 1.00 10.00 C ATOM 0 H THR A 60 -2.783 -2.703 -12.005 1.00 10.00 H new ATOM 0 HA THR A 60 -3.024 -4.244 -13.636 1.00 10.00 H new ATOM 0 HB THR A 60 -0.119 -4.827 -13.567 1.00 10.00 H new ATOM 0 HG1 THR A 60 0.108 -2.888 -14.914 1.00 10.00 H new ATOM 0 HG21 THR A 60 -0.445 -4.810 -16.059 1.00 10.00 H new ATOM 0 HG22 THR A 60 -1.544 -5.962 -15.262 1.00 10.00 H new ATOM 0 HG23 THR A 60 -2.156 -4.384 -15.813 1.00 10.00 H new ATOM 900 N ASP A 61 -1.540 -6.816 -12.743 1.00 10.00 N ATOM 901 CA ASP A 61 -1.645 -8.176 -12.219 1.00 10.00 C ATOM 902 C ASP A 61 -1.002 -8.281 -10.825 1.00 10.00 C ATOM 903 O ASP A 61 -0.060 -9.036 -10.595 1.00 10.00 O ATOM 904 CB ASP A 61 -1.004 -9.135 -13.231 1.00 10.00 C ATOM 905 CG ASP A 61 -1.824 -9.262 -14.500 1.00 10.00 C ATOM 906 OD1 ASP A 61 -1.678 -8.362 -15.354 1.00 10.00 O ATOM 907 OD2 ASP A 61 -2.577 -10.254 -14.587 1.00 10.00 O ATOM 0 H ASP A 61 -0.785 -6.709 -13.420 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.692 -8.450 -12.090 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -0.004 -8.781 -13.481 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -0.889 -10.118 -12.775 1.00 10.00 H new ATOM 912 N CYS A 62 -1.524 -7.502 -9.880 1.00 10.00 N ATOM 913 CA CYS A 62 -1.014 -7.423 -8.511 1.00 10.00 C ATOM 914 C CYS A 62 -1.087 -8.784 -7.785 1.00 10.00 C ATOM 915 O CYS A 62 -2.125 -9.126 -7.216 1.00 10.00 O ATOM 916 CB CYS A 62 -1.772 -6.353 -7.715 1.00 10.00 C ATOM 917 SG CYS A 62 -2.325 -4.842 -8.527 1.00 10.00 S ATOM 0 H CYS A 62 -2.328 -6.897 -10.046 1.00 10.00 H new ATOM 0 HA CYS A 62 0.037 -7.142 -8.574 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -2.653 -6.832 -7.288 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -1.134 -6.058 -6.882 1.00 10.00 H new ATOM 922 N THR A 63 0.004 -9.561 -7.759 1.00 10.00 N ATOM 923 CA THR A 63 0.055 -10.832 -7.038 1.00 10.00 C ATOM 924 C THR A 63 0.498 -10.555 -5.606 1.00 10.00 C ATOM 925 O THR A 63 1.486 -9.851 -5.403 1.00 10.00 O ATOM 926 CB THR A 63 0.983 -11.846 -7.734 1.00 10.00 C ATOM 927 OG1 THR A 63 1.084 -13.003 -6.923 1.00 10.00 O ATOM 928 CG2 THR A 63 2.399 -11.334 -8.004 1.00 10.00 C ATOM 0 H THR A 63 0.873 -9.323 -8.238 1.00 10.00 H new ATOM 0 HA THR A 63 -0.936 -11.286 -7.032 1.00 10.00 H new ATOM 0 HB THR A 63 0.531 -12.048 -8.705 1.00 10.00 H new ATOM 0 HG1 THR A 63 1.926 -13.466 -7.117 1.00 10.00 H new ATOM 0 HG21 THR A 63 2.980 -12.114 -8.496 1.00 10.00 H new ATOM 0 HG22 THR A 63 2.352 -10.456 -8.648 1.00 10.00 H new ATOM 0 HG23 THR A 63 2.875 -11.067 -7.061 1.00 10.00 H new ATOM 936 N ASP A 64 -0.233 -11.071 -4.611 1.00 10.00 N ATOM 937 CA ASP A 64 0.047 -10.942 -3.188 1.00 10.00 C ATOM 938 C ASP A 64 1.556 -11.035 -2.854 1.00 10.00 C ATOM 939 O ASP A 64 2.054 -10.273 -2.029 1.00 10.00 O ATOM 940 CB ASP A 64 -0.799 -12.007 -2.482 1.00 10.00 C ATOM 941 CG ASP A 64 -2.282 -11.683 -2.346 1.00 10.00 C ATOM 942 OD1 ASP A 64 -2.840 -10.953 -3.195 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.881 -12.186 -1.373 1.00 10.00 O ATOM 0 H ASP A 64 -1.076 -11.616 -4.792 1.00 10.00 H new ATOM 0 HA ASP A 64 -0.224 -9.948 -2.833 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.699 -12.946 -3.027 1.00 10.00 H new ATOM 0 HB3 ASP A 64 -0.388 -12.171 -1.486 1.00 10.00 H new ATOM 948 N GLU A 65 2.296 -11.915 -3.539 1.00 10.00 N ATOM 949 CA GLU A 65 3.761 -11.985 -3.521 1.00 10.00 C ATOM 950 C GLU A 65 4.414 -10.588 -3.612 1.00 10.00 C ATOM 951 O GLU A 65 5.125 -10.169 -2.695 1.00 10.00 O ATOM 952 CB GLU A 65 4.241 -12.899 -4.663 1.00 10.00 C ATOM 953 CG GLU A 65 3.601 -14.299 -4.658 1.00 10.00 C ATOM 954 CD GLU A 65 4.052 -15.115 -5.859 1.00 10.00 C ATOM 955 OE1 GLU A 65 3.419 -14.915 -6.920 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.000 -15.911 -5.682 1.00 10.00 O ATOM 0 H GLU A 65 1.876 -12.622 -4.142 1.00 10.00 H new ATOM 0 HA GLU A 65 4.072 -12.406 -2.565 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.025 -12.416 -5.616 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.324 -13.006 -4.598 1.00 10.00 H new ATOM 0 HG2 GLU A 65 3.869 -14.821 -3.739 1.00 10.00 H new ATOM 0 HG3 GLU A 65 2.515 -14.205 -4.666 1.00 10.00 H new ATOM 963 N ASP A 66 4.138 -9.844 -4.691 1.00 10.00 N ATOM 964 CA ASP A 66 4.698 -8.514 -4.914 1.00 10.00 C ATOM 965 C ASP A 66 3.915 -7.464 -4.113 1.00 10.00 C ATOM 966 O ASP A 66 4.474 -6.517 -3.558 1.00 10.00 O ATOM 967 CB ASP A 66 4.662 -8.209 -6.417 1.00 10.00 C ATOM 968 CG ASP A 66 5.439 -9.214 -7.250 1.00 10.00 C ATOM 969 OD1 ASP A 66 6.525 -9.631 -6.797 1.00 10.00 O ATOM 970 OD2 ASP A 66 4.914 -9.544 -8.335 1.00 10.00 O ATOM 0 H ASP A 66 3.515 -10.155 -5.436 1.00 10.00 H new ATOM 0 HA ASP A 66 5.732 -8.482 -4.570 1.00 10.00 H new ATOM 0 HB2 ASP A 66 3.625 -8.192 -6.753 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.069 -7.212 -6.589 1.00 10.00 H new ATOM 975 N TYR A 67 2.595 -7.647 -4.029 1.00 10.00 N ATOM 976 CA TYR A 67 1.683 -6.753 -3.327 1.00 10.00 C ATOM 977 C TYR A 67 2.122 -6.545 -1.872 1.00 10.00 C ATOM 978 O TYR A 67 2.184 -5.419 -1.379 1.00 10.00 O ATOM 979 CB TYR A 67 0.269 -7.357 -3.378 1.00 10.00 C ATOM 980 CG TYR A 67 -0.889 -6.451 -3.733 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.805 -5.051 -3.604 1.00 10.00 C ATOM 982 CD2 TYR A 67 -2.051 -7.037 -4.270 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.795 -4.246 -4.187 1.00 10.00 C ATOM 984 CE2 TYR A 67 -3.067 -6.225 -4.795 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.895 -4.836 -4.821 1.00 10.00 C ATOM 986 OH TYR A 67 -3.860 -4.046 -5.347 1.00 10.00 O ATOM 0 H TYR A 67 2.123 -8.442 -4.460 1.00 10.00 H new ATOM 0 HA TYR A 67 1.691 -5.777 -3.813 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.283 -8.175 -4.098 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.060 -7.795 -2.402 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.014 -4.602 -3.062 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -2.160 -8.111 -4.278 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.709 -3.170 -4.147 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.975 -6.668 -5.176 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.606 -3.780 -6.255 1.00 10.00 H new ATOM 996 N LYS A 68 2.445 -7.651 -1.197 1.00 10.00 N ATOM 997 CA LYS A 68 2.877 -7.669 0.190 1.00 10.00 C ATOM 998 C LYS A 68 4.296 -7.115 0.272 1.00 10.00 C ATOM 999 O LYS A 68 4.547 -6.208 1.053 1.00 10.00 O ATOM 1000 CB LYS A 68 2.698 -9.054 0.833 1.00 10.00 C ATOM 1001 CG LYS A 68 3.900 -9.988 0.671 1.00 10.00 C ATOM 1002 CD LYS A 68 3.574 -11.356 1.268 1.00 10.00 C ATOM 1003 CE LYS A 68 4.879 -12.142 1.413 1.00 10.00 C ATOM 1004 NZ LYS A 68 4.616 -13.493 1.941 1.00 10.00 N ATOM 0 H LYS A 68 2.410 -8.580 -1.617 1.00 10.00 H new ATOM 0 HA LYS A 68 2.238 -7.019 0.787 1.00 10.00 H new ATOM 0 HB2 LYS A 68 2.495 -8.924 1.896 1.00 10.00 H new ATOM 0 HB3 LYS A 68 1.821 -9.532 0.398 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.152 -10.092 -0.384 1.00 10.00 H new ATOM 0 HG3 LYS A 68 4.773 -9.563 1.167 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.090 -11.241 2.238 1.00 10.00 H new ATOM 0 HD3 LYS A 68 2.876 -11.894 0.626 1.00 10.00 H new ATOM 0 HE2 LYS A 68 5.376 -12.214 0.445 1.00 10.00 H new ATOM 0 HE3 LYS A 68 5.557 -11.611 2.080 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 5.513 -14.011 2.032 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 4.163 -13.419 2.874 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 3.986 -14.004 1.290 1.00 10.00 H new ATOM 1018 N ALA A 69 5.207 -7.582 -0.595 1.00 10.00 N ATOM 1019 CA ALA A 69 6.557 -7.030 -0.697 1.00 10.00 C ATOM 1020 C ALA A 69 6.542 -5.499 -0.765 1.00 10.00 C ATOM 1021 O ALA A 69 7.354 -4.831 -0.131 1.00 10.00 O ATOM 1022 CB ALA A 69 7.251 -7.585 -1.938 1.00 10.00 C ATOM 0 H ALA A 69 5.025 -8.350 -1.241 1.00 10.00 H new ATOM 0 HA ALA A 69 7.102 -7.324 0.200 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.256 -7.170 -2.009 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.311 -8.671 -1.866 1.00 10.00 H new ATOM 0 HB3 ALA A 69 6.682 -7.311 -2.826 1.00 10.00 H new ATOM 1028 N ALA A 70 5.594 -4.944 -1.522 1.00 10.00 N ATOM 1029 CA ALA A 70 5.444 -3.505 -1.685 1.00 10.00 C ATOM 1030 C ALA A 70 5.166 -2.820 -0.342 1.00 10.00 C ATOM 1031 O ALA A 70 5.905 -1.927 0.047 1.00 10.00 O ATOM 1032 CB ALA A 70 4.397 -3.190 -2.756 1.00 10.00 C ATOM 0 H ALA A 70 4.906 -5.489 -2.041 1.00 10.00 H new ATOM 0 HA ALA A 70 6.387 -3.090 -2.041 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.300 -2.110 -2.863 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.708 -3.622 -3.707 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.437 -3.614 -2.462 1.00 10.00 H new ATOM 1038 N ILE A 71 4.154 -3.249 0.411 1.00 10.00 N ATOM 1039 CA ILE A 71 3.830 -2.657 1.704 1.00 10.00 C ATOM 1040 C ILE A 71 4.858 -3.003 2.793 1.00 10.00 C ATOM 1041 O ILE A 71 5.161 -2.194 3.673 1.00 10.00 O ATOM 1042 CB ILE A 71 2.398 -3.040 2.076 1.00 10.00 C ATOM 1043 CG1 ILE A 71 2.097 -4.542 2.054 1.00 10.00 C ATOM 1044 CG2 ILE A 71 1.453 -2.255 1.163 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.726 -4.891 2.636 1.00 10.00 C ATOM 0 H ILE A 71 3.538 -4.016 0.141 1.00 10.00 H new ATOM 0 HA ILE A 71 3.887 -1.571 1.623 1.00 10.00 H new ATOM 0 HB ILE A 71 2.247 -2.774 3.122 1.00 10.00 H new ATOM 0 HG12 ILE A 71 2.150 -4.902 1.026 1.00 10.00 H new ATOM 0 HG13 ILE A 71 2.868 -5.069 2.616 1.00 10.00 H new ATOM 0 HG21 ILE A 71 0.421 -2.507 1.405 1.00 10.00 H new ATOM 0 HG22 ILE A 71 1.609 -1.186 1.310 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.655 -2.511 0.123 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.575 -5.970 2.591 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.677 -4.561 3.674 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.052 -4.391 2.059 1.00 10.00 H new ATOM 1057 N GLU A 72 5.455 -4.189 2.685 1.00 10.00 N ATOM 1058 CA GLU A 72 6.628 -4.570 3.460 1.00 10.00 C ATOM 1059 C GLU A 72 7.791 -3.604 3.222 1.00 10.00 C ATOM 1060 O GLU A 72 8.459 -3.220 4.182 1.00 10.00 O ATOM 1061 CB GLU A 72 7.020 -6.040 3.254 1.00 10.00 C ATOM 1062 CG GLU A 72 6.032 -7.014 3.923 1.00 10.00 C ATOM 1063 CD GLU A 72 6.672 -8.353 4.270 1.00 10.00 C ATOM 1064 OE1 GLU A 72 7.416 -8.371 5.278 1.00 10.00 O ATOM 1065 OE2 GLU A 72 6.412 -9.324 3.524 1.00 10.00 O ATOM 0 H GLU A 72 5.132 -4.918 2.049 1.00 10.00 H new ATOM 0 HA GLU A 72 6.359 -4.487 4.513 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.068 -6.253 2.186 1.00 10.00 H new ATOM 0 HB3 GLU A 72 8.019 -6.206 3.658 1.00 10.00 H new ATOM 0 HG2 GLU A 72 5.637 -6.558 4.831 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.186 -7.182 3.257 1.00 10.00 H new ATOM 1072 N PHE A 73 8.001 -3.169 1.974 1.00 10.00 N ATOM 1073 CA PHE A 73 9.044 -2.198 1.640 1.00 10.00 C ATOM 1074 C PHE A 73 8.979 -0.939 2.519 1.00 10.00 C ATOM 1075 O PHE A 73 10.008 -0.455 2.984 1.00 10.00 O ATOM 1076 CB PHE A 73 8.955 -1.827 0.156 1.00 10.00 C ATOM 1077 CG PHE A 73 10.174 -1.103 -0.370 1.00 10.00 C ATOM 1078 CD1 PHE A 73 10.296 0.290 -0.205 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.201 -1.825 -1.005 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.434 0.960 -0.684 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.344 -1.155 -1.475 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.451 0.240 -1.333 1.00 10.00 C ATOM 0 H PHE A 73 7.454 -3.480 1.171 1.00 10.00 H new ATOM 0 HA PHE A 73 10.007 -2.669 1.839 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.805 -2.736 -0.427 1.00 10.00 H new ATOM 0 HB3 PHE A 73 8.077 -1.200 0.001 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.513 0.845 0.291 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.111 -2.894 -1.131 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.527 2.028 -0.553 1.00 10.00 H new ATOM 0 HE2 PHE A 73 13.141 -1.712 -1.946 1.00 10.00 H new ATOM 0 HZ PHE A 73 13.315 0.758 -1.723 1.00 10.00 H new ATOM 1092 N MET A 74 7.773 -0.402 2.745 1.00 10.00 N ATOM 1093 CA MET A 74 7.600 0.786 3.574 1.00 10.00 C ATOM 1094 C MET A 74 7.903 0.502 5.053 1.00 10.00 C ATOM 1095 O MET A 74 8.879 1.009 5.600 1.00 10.00 O ATOM 1096 CB MET A 74 6.179 1.342 3.438 1.00 10.00 C ATOM 1097 CG MET A 74 5.824 1.977 2.087 1.00 10.00 C ATOM 1098 SD MET A 74 5.229 0.840 0.818 1.00 10.00 S ATOM 1099 CE MET A 74 3.746 1.685 0.229 1.00 10.00 C ATOM 0 H MET A 74 6.905 -0.776 2.362 1.00 10.00 H new ATOM 0 HA MET A 74 8.314 1.528 3.217 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.475 0.533 3.631 1.00 10.00 H new ATOM 0 HB3 MET A 74 6.028 2.089 4.217 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.061 2.738 2.253 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.707 2.489 1.704 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.278 1.093 -0.558 1.00 10.00 H new ATOM 0 HE2 MET A 74 3.046 1.809 1.055 1.00 10.00 H new ATOM 0 HE3 MET A 74 4.018 2.664 -0.167 1.00 10.00 H new ATOM 1109 N SER A 75 7.033 -0.266 5.724 1.00 10.00 N ATOM 1110 CA SER A 75 7.202 -0.590 7.148 1.00 10.00 C ATOM 1111 C SER A 75 6.357 -1.798 7.590 1.00 10.00 C ATOM 1112 O SER A 75 5.911 -1.870 8.731 1.00 10.00 O ATOM 1113 CB SER A 75 6.917 0.651 8.017 1.00 10.00 C ATOM 1114 OG SER A 75 7.458 0.481 9.315 1.00 10.00 O ATOM 0 H SER A 75 6.201 -0.676 5.301 1.00 10.00 H new ATOM 0 HA SER A 75 8.242 -0.885 7.292 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.348 1.536 7.550 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.842 0.817 8.083 1.00 10.00 H new ATOM 0 HG SER A 75 7.170 -0.382 9.679 1.00 10.00 H new ATOM 1120 N LYS A 76 6.129 -2.755 6.682 1.00 10.00 N ATOM 1121 CA LYS A 76 5.373 -3.993 6.908 1.00 10.00 C ATOM 1122 C LYS A 76 4.169 -3.873 7.856 1.00 10.00 C ATOM 1123 O LYS A 76 4.021 -4.663 8.785 1.00 10.00 O ATOM 1124 CB LYS A 76 6.335 -5.143 7.257 1.00 10.00 C ATOM 1125 CG LYS A 76 7.019 -5.015 8.626 1.00 10.00 C ATOM 1126 CD LYS A 76 8.059 -6.133 8.797 1.00 10.00 C ATOM 1127 CE LYS A 76 9.476 -5.567 8.653 1.00 10.00 C ATOM 1128 NZ LYS A 76 10.492 -6.629 8.809 1.00 10.00 N ATOM 0 H LYS A 76 6.482 -2.684 5.728 1.00 10.00 H new ATOM 0 HA LYS A 76 4.884 -4.232 5.963 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.782 -6.082 7.229 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.104 -5.202 6.486 1.00 10.00 H new ATOM 0 HG2 LYS A 76 7.501 -4.041 8.712 1.00 10.00 H new ATOM 0 HG3 LYS A 76 6.275 -5.073 9.421 1.00 10.00 H new ATOM 0 HD2 LYS A 76 7.944 -6.600 9.775 1.00 10.00 H new ATOM 0 HD3 LYS A 76 7.893 -6.911 8.051 1.00 10.00 H new ATOM 0 HE2 LYS A 76 9.585 -5.096 7.676 1.00 10.00 H new ATOM 0 HE3 LYS A 76 9.639 -4.791 9.401 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 11.442 -6.218 8.707 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 10.401 -7.061 9.751 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 10.349 -7.356 8.079 1.00 10.00 H new ATOM 1142 N ALA A 77 3.299 -2.891 7.593 1.00 10.00 N ATOM 1143 CA ALA A 77 2.146 -2.587 8.443 1.00 10.00 C ATOM 1144 C ALA A 77 0.842 -2.424 7.669 1.00 10.00 C ATOM 1145 O ALA A 77 -0.184 -2.983 8.049 1.00 10.00 O ATOM 1146 CB ALA A 77 2.431 -1.338 9.278 1.00 10.00 C ATOM 0 H ALA A 77 3.377 -2.282 6.779 1.00 10.00 H new ATOM 0 HA ALA A 77 2.003 -3.449 9.095 1.00 10.00 H new ATOM 0 HB1 ALA A 77 1.569 -1.117 9.908 1.00 10.00 H new ATOM 0 HB2 ALA A 77 3.305 -1.512 9.906 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.622 -0.494 8.616 1.00 10.00 H new ATOM 1152 N LYS A 78 0.876 -1.607 6.616 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.285 -1.289 5.799 1.00 10.00 C ATOM 1154 C LYS A 78 0.007 -1.435 4.301 1.00 10.00 C ATOM 1155 O LYS A 78 -0.680 -2.270 3.676 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.874 0.070 6.221 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.027 1.331 5.981 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.932 2.546 5.738 1.00 10.00 C ATOM 1159 CE LYS A 78 -0.109 3.830 5.780 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.615 4.062 4.510 1.00 10.00 N ATOM 1161 OXT LYS A 78 0.849 -0.671 3.782 1.00 10.00 O ATOM 0 H LYS A 78 1.729 -1.142 6.305 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.069 -2.024 5.982 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.821 0.200 5.698 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.102 0.019 7.286 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.615 1.515 6.842 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.627 1.179 5.122 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.426 2.453 4.771 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.716 2.582 6.495 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.766 4.676 5.984 1.00 10.00 H new ATOM 0 HE3 LYS A 78 0.606 3.777 6.601 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 0.481 5.049 4.209 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 1.629 3.877 4.650 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.244 3.424 3.777 1.00 10.00 H new