USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=20 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 Set 1.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 THR OG1 : rot 88:sc= 0.154 USER MOD Set 2.1: A 15 HIS : no HD1:sc= -0.305 K(o=0.34,f=-0.38) USER MOD Set 2.2: A 78 LYS NZ :NH3+ 141:sc= 0.648 (180deg=-0.799!) USER MOD Set 3.1: A 12 THR OG1 : rot -39:sc= 0.741 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -168:sc= -0.0988 (180deg=-0.314) USER MOD Single : A 7 TYR OH : rot -178:sc= 1.21 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -1.22 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -146:sc= -0.0206 (180deg=-0.0528) USER MOD Single : A 24 LYS NZ :NH3+ -149:sc=-0.00427 (180deg=-0.294) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 27 ASN : amide:sc= 0.424 K(o=0.42,f=-1.6!) 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 : amide:sc= -1.67 K(o=-1.7,f=-0.34) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 83:sc= 0.784 USER MOD Single : A 51 ASN : amide:sc= -1.25 K(o=-1.2,f=0.16) USER MOD Single : A 53 MET CE :methyl 175:sc= -1.35 (180deg=-1.4) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -83:sc= 1.33 USER MOD Single : A 63 THR OG1 : rot 169:sc= 1.26 USER MOD Single : A 67 TYR OH : rot 120:sc= 0.363 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0.73 (180deg=0.379) USER MOD Single : A 74 MET CE :methyl -119:sc= 0 (180deg=-0.219) USER MOD Single : A 75 SER OG : rot 180:sc= -0.149 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLN A 1 8.030 -6.586 -11.378 1.00 10.00 N ATOM 45 CA GLN A 1 9.395 -7.100 -11.342 1.00 10.00 C ATOM 46 C GLN A 1 10.150 -6.534 -10.139 1.00 10.00 C ATOM 47 O GLN A 1 11.171 -7.086 -9.735 1.00 10.00 O ATOM 48 CB GLN A 1 10.134 -6.712 -12.639 1.00 10.00 C ATOM 49 CG GLN A 1 10.343 -7.906 -13.582 1.00 10.00 C ATOM 50 CD GLN A 1 9.061 -8.241 -14.337 1.00 10.00 C ATOM 51 OE1 GLN A 1 8.168 -8.890 -13.810 1.00 10.00 O ATOM 52 NE2 GLN A 1 8.949 -7.760 -15.567 1.00 10.00 N ATOM 0 H1 GLN A 1 7.473 -7.127 -12.070 1.00 10.00 H new ATOM 0 H2 GLN A 1 7.598 -6.681 -10.437 1.00 10.00 H new ATOM 0 H3 GLN A 1 8.044 -5.583 -11.653 1.00 10.00 H new ATOM 0 HA GLN A 1 9.353 -8.186 -11.254 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.567 -5.939 -13.158 1.00 10.00 H new ATOM 0 HB3 GLN A 1 11.102 -6.281 -12.385 1.00 10.00 H new ATOM 0 HG2 GLN A 1 11.138 -7.678 -14.292 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.668 -8.774 -13.008 1.00 10.00 H new ATOM 0 HE21 GLN A 1 9.713 -7.223 -15.976 1.00 10.00 H new ATOM 0 HE22 GLN A 1 8.098 -7.927 -16.104 1.00 10.00 H new ATOM 61 N ASP A 2 9.658 -5.420 -9.597 1.00 10.00 N ATOM 62 CA ASP A 2 10.241 -4.776 -8.440 1.00 10.00 C ATOM 63 C ASP A 2 9.120 -4.170 -7.589 1.00 10.00 C ATOM 64 O ASP A 2 8.330 -3.349 -8.056 1.00 10.00 O ATOM 65 CB ASP A 2 11.278 -3.751 -8.913 1.00 10.00 C ATOM 66 CG ASP A 2 12.021 -3.086 -7.768 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.542 -3.214 -6.621 1.00 10.00 O ATOM 68 OD2 ASP A 2 13.043 -2.441 -8.068 1.00 10.00 O ATOM 0 H ASP A 2 8.834 -4.941 -9.960 1.00 10.00 H new ATOM 0 HA ASP A 2 10.768 -5.488 -7.804 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.997 -4.245 -9.567 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.779 -2.986 -9.508 1.00 10.00 H new ATOM 73 N ALA A 3 9.061 -4.583 -6.328 1.00 10.00 N ATOM 74 CA ALA A 3 8.184 -4.012 -5.326 1.00 10.00 C ATOM 75 C ALA A 3 8.344 -2.491 -5.201 1.00 10.00 C ATOM 76 O ALA A 3 7.348 -1.772 -5.071 1.00 10.00 O ATOM 77 CB ALA A 3 8.505 -4.705 -4.015 1.00 10.00 C ATOM 0 H ALA A 3 9.639 -5.344 -5.970 1.00 10.00 H new ATOM 0 HA ALA A 3 7.144 -4.170 -5.613 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.866 -4.306 -3.227 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.330 -5.776 -4.117 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.550 -4.531 -3.758 1.00 10.00 H new ATOM 83 N GLU A 4 9.584 -1.991 -5.289 1.00 10.00 N ATOM 84 CA GLU A 4 9.817 -0.560 -5.368 1.00 10.00 C ATOM 85 C GLU A 4 9.104 0.026 -6.585 1.00 10.00 C ATOM 86 O GLU A 4 8.362 0.996 -6.464 1.00 10.00 O ATOM 87 CB GLU A 4 11.309 -0.199 -5.333 1.00 10.00 C ATOM 88 CG GLU A 4 11.484 1.316 -5.584 1.00 10.00 C ATOM 89 CD GLU A 4 12.472 2.002 -4.652 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.634 1.552 -4.592 1.00 10.00 O ATOM 91 OE2 GLU A 4 12.031 2.980 -4.011 1.00 10.00 O ATOM 0 H GLU A 4 10.430 -2.560 -5.307 1.00 10.00 H new ATOM 0 HA GLU A 4 9.389 -0.105 -4.475 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.736 -0.469 -4.367 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.849 -0.768 -6.090 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.811 1.465 -6.613 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.513 1.802 -5.485 1.00 10.00 H new ATOM 98 N ALA A 5 9.245 -0.600 -7.754 1.00 10.00 N ATOM 99 CA ALA A 5 8.635 -0.081 -8.970 1.00 10.00 C ATOM 100 C ALA A 5 7.109 -0.170 -8.890 1.00 10.00 C ATOM 101 O ALA A 5 6.415 0.715 -9.379 1.00 10.00 O ATOM 102 CB ALA A 5 9.173 -0.825 -10.191 1.00 10.00 C ATOM 0 H ALA A 5 9.774 -1.463 -7.880 1.00 10.00 H new ATOM 0 HA ALA A 5 8.899 0.972 -9.073 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.709 -0.427 -11.093 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.253 -0.693 -10.250 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.941 -1.886 -10.102 1.00 10.00 H new ATOM 108 N ILE A 6 6.571 -1.174 -8.197 1.00 10.00 N ATOM 109 CA ILE A 6 5.131 -1.283 -8.008 1.00 10.00 C ATOM 110 C ILE A 6 4.624 -0.127 -7.143 1.00 10.00 C ATOM 111 O ILE A 6 3.724 0.587 -7.587 1.00 10.00 O ATOM 112 CB ILE A 6 4.780 -2.671 -7.439 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.784 -3.711 -8.573 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.442 -2.707 -6.683 1.00 10.00 C ATOM 115 CD1 ILE A 6 3.518 -3.678 -9.444 1.00 10.00 C ATOM 0 H ILE A 6 7.112 -1.920 -7.760 1.00 10.00 H new ATOM 0 HA ILE A 6 4.619 -1.199 -8.967 1.00 10.00 H new ATOM 0 HB ILE A 6 5.547 -2.913 -6.703 1.00 10.00 H new ATOM 0 HG12 ILE A 6 5.655 -3.542 -9.206 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.892 -4.706 -8.141 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.261 -3.716 -6.311 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.479 -2.012 -5.844 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.635 -2.419 -7.357 1.00 10.00 H new ATOM 0 HD11 ILE A 6 3.592 -4.438 -10.222 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.644 -3.877 -8.824 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.419 -2.695 -9.905 1.00 10.00 H new ATOM 127 N TYR A 7 5.214 0.149 -5.971 1.00 10.00 N ATOM 128 CA TYR A 7 4.708 1.289 -5.200 1.00 10.00 C ATOM 129 C TYR A 7 5.013 2.618 -5.907 1.00 10.00 C ATOM 130 O TYR A 7 4.143 3.475 -6.024 1.00 10.00 O ATOM 131 CB TYR A 7 5.124 1.264 -3.717 1.00 10.00 C ATOM 132 CG TYR A 7 6.370 2.054 -3.370 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.320 3.458 -3.245 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.601 1.393 -3.264 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.513 4.197 -3.180 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.793 2.138 -3.232 1.00 10.00 C ATOM 137 CZ TYR A 7 8.748 3.538 -3.225 1.00 10.00 C ATOM 138 OH TYR A 7 9.892 4.269 -3.243 1.00 10.00 O ATOM 0 H TYR A 7 5.992 -0.365 -5.558 1.00 10.00 H new ATOM 0 HA TYR A 7 3.623 1.194 -5.169 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.296 1.646 -3.120 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.279 0.227 -3.420 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.367 3.964 -3.199 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.634 0.315 -3.207 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.478 5.273 -3.095 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.746 1.630 -3.213 1.00 10.00 H new ATOM 0 HH TYR A 7 10.663 3.668 -3.306 1.00 10.00 H new ATOM 148 N ASN A 8 6.229 2.760 -6.436 1.00 10.00 N ATOM 149 CA ASN A 8 6.738 3.970 -7.067 1.00 10.00 C ATOM 150 C ASN A 8 6.041 4.278 -8.401 1.00 10.00 C ATOM 151 O ASN A 8 6.040 5.422 -8.838 1.00 10.00 O ATOM 152 CB ASN A 8 8.258 3.836 -7.209 1.00 10.00 C ATOM 153 CG ASN A 8 8.952 5.126 -7.618 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.552 6.222 -7.252 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.030 5.012 -8.379 1.00 10.00 N ATOM 0 H ASN A 8 6.911 2.002 -6.434 1.00 10.00 H new ATOM 0 HA ASN A 8 6.512 4.829 -6.435 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.674 3.496 -6.261 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.478 3.066 -7.948 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.540 5.846 -8.669 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.350 4.090 -8.675 1.00 10.00 H new ATOM 162 N LYS A 9 5.444 3.279 -9.061 1.00 10.00 N ATOM 163 CA LYS A 9 4.553 3.491 -10.200 1.00 10.00 C ATOM 164 C LYS A 9 3.069 3.626 -9.794 1.00 10.00 C ATOM 165 O LYS A 9 2.319 4.305 -10.493 1.00 10.00 O ATOM 166 CB LYS A 9 4.757 2.362 -11.223 1.00 10.00 C ATOM 167 CG LYS A 9 4.225 2.735 -12.617 1.00 10.00 C ATOM 168 CD LYS A 9 3.299 1.667 -13.216 1.00 10.00 C ATOM 169 CE LYS A 9 2.003 1.534 -12.397 1.00 10.00 C ATOM 170 NZ LYS A 9 0.841 1.180 -13.234 1.00 10.00 N ATOM 0 H LYS A 9 5.568 2.297 -8.816 1.00 10.00 H new ATOM 0 HA LYS A 9 4.817 4.446 -10.654 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.819 2.125 -11.293 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.252 1.462 -10.873 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.685 3.680 -12.552 1.00 10.00 H new ATOM 0 HG3 LYS A 9 5.068 2.895 -13.290 1.00 10.00 H new ATOM 0 HD2 LYS A 9 3.057 1.928 -14.246 1.00 10.00 H new ATOM 0 HD3 LYS A 9 3.815 0.708 -13.243 1.00 10.00 H new ATOM 0 HE2 LYS A 9 2.139 0.773 -11.629 1.00 10.00 H new ATOM 0 HE3 LYS A 9 1.804 2.474 -11.883 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -0.007 1.102 -12.636 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 0.692 1.918 -13.951 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 1.017 0.270 -13.705 1.00 10.00 H new ATOM 184 N ALA A 10 2.615 2.959 -8.722 1.00 10.00 N ATOM 185 CA ALA A 10 1.189 2.829 -8.377 1.00 10.00 C ATOM 186 C ALA A 10 0.810 3.640 -7.132 1.00 10.00 C ATOM 187 O ALA A 10 0.071 4.622 -7.223 1.00 10.00 O ATOM 188 CB ALA A 10 0.804 1.351 -8.216 1.00 10.00 C ATOM 0 H ALA A 10 3.234 2.489 -8.062 1.00 10.00 H new ATOM 0 HA ALA A 10 0.618 3.248 -9.206 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.253 1.276 -7.961 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.990 0.823 -9.151 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.401 0.904 -7.421 1.00 10.00 H new ATOM 194 N CYS A 11 1.338 3.274 -5.961 1.00 10.00 N ATOM 195 CA CYS A 11 1.120 3.963 -4.687 1.00 10.00 C ATOM 196 C CYS A 11 1.926 5.288 -4.621 1.00 10.00 C ATOM 197 O CYS A 11 2.487 5.661 -3.593 1.00 10.00 O ATOM 198 CB CYS A 11 1.442 3.030 -3.527 1.00 10.00 C ATOM 199 SG CYS A 11 1.388 1.238 -3.860 1.00 10.00 S ATOM 0 H CYS A 11 1.949 2.463 -5.871 1.00 10.00 H new ATOM 0 HA CYS A 11 0.068 4.237 -4.608 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.439 3.276 -3.162 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.745 3.244 -2.717 1.00 10.00 H new ATOM 0 HG CYS A 11 1.687 0.586 -2.776 1.00 10.00 H new ATOM 204 N THR A 12 1.974 6.025 -5.735 1.00 10.00 N ATOM 205 CA THR A 12 2.906 7.130 -5.979 1.00 10.00 C ATOM 206 C THR A 12 2.222 8.447 -6.312 1.00 10.00 C ATOM 207 O THR A 12 2.885 9.437 -6.617 1.00 10.00 O ATOM 208 CB THR A 12 3.861 6.744 -7.111 1.00 10.00 C ATOM 209 OG1 THR A 12 4.897 7.689 -7.169 1.00 10.00 O ATOM 210 CG2 THR A 12 3.148 6.709 -8.471 1.00 10.00 C ATOM 0 H THR A 12 1.343 5.863 -6.519 1.00 10.00 H new ATOM 0 HA THR A 12 3.448 7.295 -5.048 1.00 10.00 H new ATOM 0 HB THR A 12 4.248 5.746 -6.904 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.534 8.583 -7.000 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.860 6.431 -9.248 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.341 5.977 -8.440 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.736 7.694 -8.692 1.00 10.00 H new ATOM 218 N VAL A 13 0.896 8.449 -6.270 1.00 10.00 N ATOM 219 CA VAL A 13 0.068 9.576 -6.661 1.00 10.00 C ATOM 220 C VAL A 13 -0.497 10.230 -5.395 1.00 10.00 C ATOM 221 O VAL A 13 -0.432 11.441 -5.205 1.00 10.00 O ATOM 222 CB VAL A 13 -1.019 9.034 -7.601 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.845 10.197 -8.133 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.415 8.267 -8.789 1.00 10.00 C ATOM 0 H VAL A 13 0.355 7.644 -5.954 1.00 10.00 H new ATOM 0 HA VAL A 13 0.624 10.348 -7.192 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.642 8.344 -7.032 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.619 9.818 -8.801 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.311 10.723 -7.300 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.198 10.883 -8.679 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.216 7.900 -9.430 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.231 8.933 -9.361 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.169 7.424 -8.419 1.00 10.00 H new ATOM 234 N CYS A 14 -1.011 9.378 -4.509 1.00 10.00 N ATOM 235 CA CYS A 14 -1.569 9.711 -3.212 1.00 10.00 C ATOM 236 C CYS A 14 -0.501 9.657 -2.110 1.00 10.00 C ATOM 237 O CYS A 14 -0.170 10.671 -1.497 1.00 10.00 O ATOM 238 CB CYS A 14 -2.664 8.708 -2.972 1.00 10.00 C ATOM 239 SG CYS A 14 -4.192 9.189 -3.820 1.00 10.00 S ATOM 0 H CYS A 14 -1.048 8.376 -4.696 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.954 10.730 -3.194 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.345 7.726 -3.322 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.851 8.620 -1.902 1.00 10.00 H new ATOM 0 HG CYS A 14 -5.113 8.300 -3.592 1.00 10.00 H new ATOM 244 N HIS A 15 0.051 8.468 -1.864 1.00 10.00 N ATOM 245 CA HIS A 15 0.848 8.154 -0.678 1.00 10.00 C ATOM 246 C HIS A 15 2.249 8.779 -0.685 1.00 10.00 C ATOM 247 O HIS A 15 2.859 8.954 0.371 1.00 10.00 O ATOM 248 CB HIS A 15 0.980 6.636 -0.608 1.00 10.00 C ATOM 249 CG HIS A 15 -0.245 5.930 -0.113 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.285 5.252 1.068 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.366 5.603 -0.823 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.382 4.485 1.063 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.105 4.690 -0.055 1.00 10.00 N ATOM 0 H HIS A 15 -0.046 7.677 -2.500 1.00 10.00 H new ATOM 0 HA HIS A 15 0.336 8.574 0.188 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.226 6.259 -1.601 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.817 6.386 0.044 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.635 5.979 -1.799 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.651 3.795 1.849 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -3.003 4.269 -0.294 1.00 10.00 H new ATOM 261 N SER A 16 2.754 9.102 -1.878 1.00 10.00 N ATOM 262 CA SER A 16 4.066 9.713 -2.075 1.00 10.00 C ATOM 263 C SER A 16 4.166 11.032 -1.303 1.00 10.00 C ATOM 264 O SER A 16 5.083 11.229 -0.510 1.00 10.00 O ATOM 265 CB SER A 16 4.331 9.917 -3.579 1.00 10.00 C ATOM 266 OG SER A 16 5.441 9.138 -3.980 1.00 10.00 O ATOM 0 H SER A 16 2.250 8.942 -2.750 1.00 10.00 H new ATOM 0 HA SER A 16 4.833 9.045 -1.683 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.450 9.634 -4.155 1.00 10.00 H new ATOM 0 HB3 SER A 16 4.521 10.970 -3.784 1.00 10.00 H new ATOM 0 HG SER A 16 5.604 9.270 -4.937 1.00 10.00 H new ATOM 272 N MET A 17 3.201 11.927 -1.543 1.00 10.00 N ATOM 273 CA MET A 17 3.124 13.246 -0.918 1.00 10.00 C ATOM 274 C MET A 17 2.084 13.290 0.220 1.00 10.00 C ATOM 275 O MET A 17 2.185 14.128 1.114 1.00 10.00 O ATOM 276 CB MET A 17 2.812 14.275 -2.013 1.00 10.00 C ATOM 277 CG MET A 17 3.955 14.468 -3.027 1.00 10.00 C ATOM 278 SD MET A 17 5.464 15.286 -2.434 1.00 10.00 S ATOM 279 CE MET A 17 6.605 13.897 -2.313 1.00 10.00 C ATOM 0 H MET A 17 2.436 11.747 -2.193 1.00 10.00 H new ATOM 0 HA MET A 17 4.080 13.482 -0.451 1.00 10.00 H new ATOM 0 HB2 MET A 17 1.914 13.963 -2.547 1.00 10.00 H new ATOM 0 HB3 MET A 17 2.588 15.234 -1.545 1.00 10.00 H new ATOM 0 HG2 MET A 17 4.232 13.487 -3.413 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.567 15.044 -3.867 1.00 10.00 H new ATOM 0 HE1 MET A 17 7.282 14.054 -1.473 1.00 10.00 H new ATOM 0 HE2 MET A 17 6.042 12.976 -2.158 1.00 10.00 H new ATOM 0 HE3 MET A 17 7.182 13.819 -3.234 1.00 10.00 H new ATOM 289 N GLY A 18 1.087 12.397 0.200 1.00 10.00 N ATOM 290 CA GLY A 18 -0.025 12.381 1.154 1.00 10.00 C ATOM 291 C GLY A 18 -1.229 13.185 0.648 1.00 10.00 C ATOM 292 O GLY A 18 -1.787 14.011 1.366 1.00 10.00 O ATOM 0 H GLY A 18 1.031 11.651 -0.494 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.329 11.351 1.339 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.309 12.790 2.107 1.00 10.00 H new ATOM 296 N VAL A 19 -1.638 12.933 -0.600 1.00 10.00 N ATOM 297 CA VAL A 19 -2.773 13.573 -1.262 1.00 10.00 C ATOM 298 C VAL A 19 -4.027 12.707 -1.075 1.00 10.00 C ATOM 299 O VAL A 19 -3.941 11.549 -0.674 1.00 10.00 O ATOM 300 CB VAL A 19 -2.424 13.842 -2.741 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.569 14.497 -3.527 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.201 14.765 -2.828 1.00 10.00 C ATOM 0 H VAL A 19 -1.168 12.252 -1.196 1.00 10.00 H new ATOM 0 HA VAL A 19 -2.991 14.542 -0.813 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.224 12.867 -3.186 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.257 14.658 -4.559 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.442 13.844 -3.510 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.822 15.454 -3.071 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -0.959 14.951 -3.874 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.423 15.710 -2.333 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.351 14.290 -2.338 1.00 10.00 H new ATOM 312 N ALA A 20 -5.210 13.293 -1.269 1.00 10.00 N ATOM 313 CA ALA A 20 -6.505 12.648 -1.028 1.00 10.00 C ATOM 314 C ALA A 20 -6.693 12.175 0.427 1.00 10.00 C ATOM 315 O ALA A 20 -7.538 11.329 0.706 1.00 10.00 O ATOM 316 CB ALA A 20 -6.726 11.522 -2.046 1.00 10.00 C ATOM 0 H ALA A 20 -5.298 14.252 -1.606 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.279 13.402 -1.173 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.690 11.048 -1.861 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.713 11.936 -3.054 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -5.932 10.781 -1.947 1.00 10.00 H new ATOM 322 N GLY A 21 -5.896 12.720 1.353 1.00 10.00 N ATOM 323 CA GLY A 21 -5.840 12.298 2.751 1.00 10.00 C ATOM 324 C GLY A 21 -5.027 11.013 2.963 1.00 10.00 C ATOM 325 O GLY A 21 -5.185 10.349 3.983 1.00 10.00 O ATOM 0 H GLY A 21 -5.257 13.486 1.142 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.404 13.099 3.348 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.855 12.143 3.118 1.00 10.00 H new ATOM 329 N ALA A 22 -4.174 10.631 2.005 1.00 10.00 N ATOM 330 CA ALA A 22 -3.476 9.352 2.042 1.00 10.00 C ATOM 331 C ALA A 22 -2.370 9.279 3.116 1.00 10.00 C ATOM 332 O ALA A 22 -1.691 10.272 3.384 1.00 10.00 O ATOM 333 CB ALA A 22 -2.946 9.043 0.642 1.00 10.00 C ATOM 0 H ALA A 22 -3.953 11.201 1.188 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.190 8.585 2.342 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.421 8.088 0.654 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.779 8.990 -0.059 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.260 9.830 0.331 1.00 10.00 H new ATOM 339 N PRO A 23 -2.170 8.096 3.721 1.00 10.00 N ATOM 340 CA PRO A 23 -1.217 7.857 4.797 1.00 10.00 C ATOM 341 C PRO A 23 0.200 7.769 4.231 1.00 10.00 C ATOM 342 O PRO A 23 0.446 7.095 3.224 1.00 10.00 O ATOM 343 CB PRO A 23 -1.660 6.531 5.409 1.00 10.00 C ATOM 344 CG PRO A 23 -2.202 5.772 4.205 1.00 10.00 C ATOM 345 CD PRO A 23 -2.883 6.872 3.403 1.00 10.00 C ATOM 0 HA PRO A 23 -1.199 8.656 5.538 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.830 6.005 5.879 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.422 6.673 6.175 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.406 5.289 3.638 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.903 4.991 4.499 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.839 6.661 2.335 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.937 6.954 3.669 1.00 10.00 H new ATOM 353 N LYS A 24 1.159 8.395 4.907 1.00 10.00 N ATOM 354 CA LYS A 24 2.471 8.711 4.355 1.00 10.00 C ATOM 355 C LYS A 24 3.273 7.455 3.986 1.00 10.00 C ATOM 356 O LYS A 24 3.251 6.444 4.703 1.00 10.00 O ATOM 357 CB LYS A 24 3.216 9.625 5.340 1.00 10.00 C ATOM 358 CG LYS A 24 4.216 10.582 4.673 1.00 10.00 C ATOM 359 CD LYS A 24 4.382 11.874 5.492 1.00 10.00 C ATOM 360 CE LYS A 24 3.116 12.756 5.453 1.00 10.00 C ATOM 361 NZ LYS A 24 2.403 12.775 6.750 1.00 10.00 N ATOM 0 H LYS A 24 1.043 8.702 5.873 1.00 10.00 H new ATOM 0 HA LYS A 24 2.341 9.243 3.413 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.486 10.211 5.899 1.00 10.00 H new ATOM 0 HB3 LYS A 24 3.748 9.006 6.062 1.00 10.00 H new ATOM 0 HG2 LYS A 24 5.182 10.088 4.569 1.00 10.00 H new ATOM 0 HG3 LYS A 24 3.873 10.827 3.668 1.00 10.00 H new ATOM 0 HD2 LYS A 24 4.613 11.619 6.526 1.00 10.00 H new ATOM 0 HD3 LYS A 24 5.229 12.441 5.106 1.00 10.00 H new ATOM 0 HE2 LYS A 24 3.394 13.774 5.179 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.444 12.389 4.677 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 1.383 12.895 6.584 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 2.569 11.879 7.251 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 2.755 13.565 7.328 1.00 10.00 H new ATOM 375 N SER A 25 3.971 7.512 2.846 1.00 10.00 N ATOM 376 CA SER A 25 4.850 6.450 2.359 1.00 10.00 C ATOM 377 C SER A 25 5.867 5.976 3.408 1.00 10.00 C ATOM 378 O SER A 25 6.201 4.799 3.442 1.00 10.00 O ATOM 379 CB SER A 25 5.565 6.932 1.094 1.00 10.00 C ATOM 380 OG SER A 25 6.295 8.106 1.400 1.00 10.00 O ATOM 0 H SER A 25 3.937 8.319 2.223 1.00 10.00 H new ATOM 0 HA SER A 25 4.226 5.585 2.135 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.235 6.157 0.721 1.00 10.00 H new ATOM 0 HB3 SER A 25 4.841 7.133 0.305 1.00 10.00 H new ATOM 0 HG SER A 25 6.758 8.422 0.596 1.00 10.00 H new ATOM 386 N HIS A 26 6.326 6.874 4.283 1.00 10.00 N ATOM 387 CA HIS A 26 7.155 6.558 5.436 1.00 10.00 C ATOM 388 C HIS A 26 6.616 7.298 6.669 1.00 10.00 C ATOM 389 O HIS A 26 6.567 8.525 6.713 1.00 10.00 O ATOM 390 CB HIS A 26 8.636 6.841 5.134 1.00 10.00 C ATOM 391 CG HIS A 26 9.041 8.296 5.134 1.00 10.00 C ATOM 392 ND1 HIS A 26 10.031 8.846 5.916 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.472 9.313 4.414 1.00 10.00 C ATOM 394 CE1 HIS A 26 10.051 10.168 5.675 1.00 10.00 C ATOM 395 NE2 HIS A 26 9.120 10.501 4.767 1.00 10.00 N ATOM 0 H HIS A 26 6.122 7.870 4.201 1.00 10.00 H new ATOM 0 HA HIS A 26 7.104 5.493 5.660 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.244 6.314 5.869 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.876 6.417 4.159 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.667 9.215 3.701 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.725 10.867 6.148 1.00 10.00 H new ATOM 0 HE2 HIS A 26 8.924 11.435 4.406 1.00 10.00 H new ATOM 403 N ASN A 27 6.145 6.536 7.653 1.00 10.00 N ATOM 404 CA ASN A 27 5.663 7.017 8.936 1.00 10.00 C ATOM 405 C ASN A 27 5.818 5.891 9.965 1.00 10.00 C ATOM 406 O ASN A 27 5.981 4.735 9.579 1.00 10.00 O ATOM 407 CB ASN A 27 4.180 7.402 8.789 1.00 10.00 C ATOM 408 CG ASN A 27 3.892 8.878 9.007 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.625 9.583 9.686 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.770 9.368 8.505 1.00 10.00 N ATOM 0 H ASN A 27 6.088 5.521 7.569 1.00 10.00 H new ATOM 0 HA ASN A 27 6.230 7.888 9.265 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.841 7.121 7.792 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.594 6.821 9.500 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.513 10.339 8.684 1.00 10.00 H new ATOM 0 HD22 ASN A 27 2.163 8.775 7.939 1.00 10.00 H new ATOM 417 N THR A 28 5.700 6.208 11.257 1.00 10.00 N ATOM 418 CA THR A 28 5.590 5.174 12.294 1.00 10.00 C ATOM 419 C THR A 28 4.187 5.140 12.912 1.00 10.00 C ATOM 420 O THR A 28 3.632 4.063 13.094 1.00 10.00 O ATOM 421 CB THR A 28 6.649 5.442 13.375 1.00 10.00 C ATOM 422 OG1 THR A 28 7.928 5.503 12.782 1.00 10.00 O ATOM 423 CG2 THR A 28 6.691 4.350 14.444 1.00 10.00 C ATOM 0 H THR A 28 5.678 7.165 11.610 1.00 10.00 H new ATOM 0 HA THR A 28 5.762 4.199 11.838 1.00 10.00 H new ATOM 0 HB THR A 28 6.376 6.385 13.848 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.601 5.676 13.473 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.457 4.592 15.181 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.721 4.285 14.937 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.925 3.393 13.978 1.00 10.00 H new ATOM 431 N ALA A 29 3.533 6.296 13.077 1.00 10.00 N ATOM 432 CA ALA A 29 2.220 6.398 13.728 1.00 10.00 C ATOM 433 C ALA A 29 1.048 6.079 12.785 1.00 10.00 C ATOM 434 O ALA A 29 -0.042 5.735 13.226 1.00 10.00 O ATOM 435 CB ALA A 29 2.077 7.802 14.315 1.00 10.00 C ATOM 0 H ALA A 29 3.902 7.193 12.761 1.00 10.00 H new ATOM 0 HA ALA A 29 2.175 5.646 14.516 1.00 10.00 H new ATOM 0 HB1 ALA A 29 1.107 7.895 14.803 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.868 7.973 15.045 1.00 10.00 H new ATOM 0 HB3 ALA A 29 2.154 8.540 13.516 1.00 10.00 H new ATOM 441 N ASP A 30 1.293 6.194 11.481 1.00 10.00 N ATOM 442 CA ASP A 30 0.369 5.899 10.388 1.00 10.00 C ATOM 443 C ASP A 30 0.309 4.370 10.160 1.00 10.00 C ATOM 444 O ASP A 30 -0.707 3.801 9.768 1.00 10.00 O ATOM 445 CB ASP A 30 0.946 6.674 9.188 1.00 10.00 C ATOM 446 CG ASP A 30 -0.008 7.371 8.251 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.215 7.078 8.294 1.00 10.00 O ATOM 448 OD2 ASP A 30 0.545 8.202 7.490 1.00 10.00 O ATOM 0 H ASP A 30 2.198 6.516 11.139 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.661 6.201 10.578 1.00 10.00 H new ATOM 0 HB2 ASP A 30 1.633 7.424 9.579 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.539 5.976 8.597 1.00 10.00 H new ATOM 453 N TRP A 31 1.435 3.702 10.445 1.00 10.00 N ATOM 454 CA TRP A 31 1.651 2.266 10.309 1.00 10.00 C ATOM 455 C TRP A 31 1.341 1.508 11.627 1.00 10.00 C ATOM 456 O TRP A 31 0.781 0.411 11.590 1.00 10.00 O ATOM 457 CB TRP A 31 3.079 2.062 9.765 1.00 10.00 C ATOM 458 CG TRP A 31 3.338 2.630 8.386 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.523 3.938 8.086 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.407 1.944 7.098 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.641 4.129 6.729 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.564 2.928 6.072 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.320 0.596 6.681 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.583 2.607 4.715 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.311 0.269 5.310 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.415 1.272 4.342 1.00 10.00 C ATOM 0 H TRP A 31 2.263 4.182 10.796 1.00 10.00 H new ATOM 0 HA TRP A 31 0.953 1.827 9.597 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.783 2.514 10.463 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.292 0.993 9.745 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.572 4.730 8.819 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.768 5.034 6.276 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.260 -0.190 7.419 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.725 3.375 3.969 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.223 -0.763 5.005 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.365 1.012 3.295 1.00 10.00 H new ATOM 477 N GLU A 32 1.628 2.096 12.799 1.00 10.00 N ATOM 478 CA GLU A 32 1.299 1.530 14.119 1.00 10.00 C ATOM 479 C GLU A 32 -0.118 0.914 14.235 1.00 10.00 C ATOM 480 O GLU A 32 -0.232 -0.277 14.523 1.00 10.00 O ATOM 481 CB GLU A 32 1.581 2.562 15.233 1.00 10.00 C ATOM 482 CG GLU A 32 2.276 1.974 16.477 1.00 10.00 C ATOM 483 CD GLU A 32 1.379 1.949 17.707 1.00 10.00 C ATOM 484 OE1 GLU A 32 0.990 3.056 18.137 1.00 10.00 O ATOM 485 OE2 GLU A 32 1.108 0.831 18.191 1.00 10.00 O ATOM 0 H GLU A 32 2.105 2.996 12.858 1.00 10.00 H new ATOM 0 HA GLU A 32 1.963 0.675 14.249 1.00 10.00 H new ATOM 0 HB2 GLU A 32 2.203 3.359 14.826 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.639 3.017 15.538 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.607 0.959 16.255 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.169 2.559 16.698 1.00 10.00 H new ATOM 492 N PRO A 33 -1.211 1.658 13.961 1.00 10.00 N ATOM 493 CA PRO A 33 -2.573 1.135 14.074 1.00 10.00 C ATOM 494 C PRO A 33 -2.902 0.058 13.029 1.00 10.00 C ATOM 495 O PRO A 33 -3.964 -0.561 13.099 1.00 10.00 O ATOM 496 CB PRO A 33 -3.488 2.356 13.929 1.00 10.00 C ATOM 497 CG PRO A 33 -2.678 3.293 13.037 1.00 10.00 C ATOM 498 CD PRO A 33 -1.252 3.047 13.524 1.00 10.00 C ATOM 0 HA PRO A 33 -2.707 0.627 15.029 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.443 2.092 13.474 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.710 2.810 14.895 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.795 3.052 11.980 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -2.977 4.334 13.161 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.531 3.227 12.727 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.997 3.721 14.342 1.00 10.00 H new ATOM 506 N ARG A 34 -2.011 -0.175 12.061 1.00 10.00 N ATOM 507 CA ARG A 34 -2.148 -1.202 11.039 1.00 10.00 C ATOM 508 C ARG A 34 -1.434 -2.478 11.511 1.00 10.00 C ATOM 509 O ARG A 34 -2.061 -3.532 11.660 1.00 10.00 O ATOM 510 CB ARG A 34 -1.633 -0.619 9.711 1.00 10.00 C ATOM 511 CG ARG A 34 -2.380 0.669 9.333 1.00 10.00 C ATOM 512 CD ARG A 34 -3.834 0.368 8.959 1.00 10.00 C ATOM 513 NE ARG A 34 -4.778 1.203 9.722 1.00 10.00 N ATOM 514 CZ ARG A 34 -6.109 1.077 9.702 1.00 10.00 C ATOM 515 NH1 ARG A 34 -6.684 0.136 8.965 1.00 10.00 N ATOM 516 NH2 ARG A 34 -6.878 1.904 10.398 1.00 10.00 N ATOM 0 H ARG A 34 -1.151 0.365 11.969 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.184 -1.496 10.869 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.566 -0.411 9.793 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.754 -1.357 8.918 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.353 1.368 10.168 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.878 1.153 8.495 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.978 0.539 7.892 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -4.047 -0.685 9.145 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.385 1.936 10.313 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -6.110 -0.498 8.408 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -7.700 0.046 8.955 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.455 2.646 10.956 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -7.892 1.798 10.375 1.00 10.00 H new ATOM 530 N LEU A 35 -0.168 -2.339 11.923 1.00 10.00 N ATOM 531 CA LEU A 35 0.634 -3.366 12.604 1.00 10.00 C ATOM 532 C LEU A 35 0.085 -3.833 13.965 1.00 10.00 C ATOM 533 O LEU A 35 0.747 -4.601 14.660 1.00 10.00 O ATOM 534 CB LEU A 35 2.068 -2.826 12.763 1.00 10.00 C ATOM 535 CG LEU A 35 2.916 -3.205 11.545 1.00 10.00 C ATOM 536 CD1 LEU A 35 3.802 -2.025 11.124 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.735 -4.461 11.862 1.00 10.00 C ATOM 0 H LEU A 35 0.349 -1.471 11.785 1.00 10.00 H new ATOM 0 HA LEU A 35 0.599 -4.258 11.978 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.045 -1.742 12.876 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.518 -3.232 13.669 1.00 10.00 H new ATOM 0 HG LEU A 35 2.267 -3.434 10.699 1.00 10.00 H new ATOM 0 HD11 LEU A 35 4.399 -2.309 10.257 1.00 10.00 H new ATOM 0 HD12 LEU A 35 3.174 -1.172 10.868 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.463 -1.755 11.947 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.338 -4.730 10.995 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.389 -4.264 12.712 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.061 -5.283 12.105 1.00 10.00 H new ATOM 549 N ALA A 36 -1.129 -3.428 14.340 1.00 10.00 N ATOM 550 CA ALA A 36 -1.766 -3.817 15.588 1.00 10.00 C ATOM 551 C ALA A 36 -2.560 -5.107 15.374 1.00 10.00 C ATOM 552 O ALA A 36 -2.601 -5.980 16.237 1.00 10.00 O ATOM 553 CB ALA A 36 -2.668 -2.673 16.055 1.00 10.00 C ATOM 0 H ALA A 36 -1.704 -2.808 13.770 1.00 10.00 H new ATOM 0 HA ALA A 36 -1.020 -4.008 16.359 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -3.153 -2.951 16.991 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -2.068 -1.776 16.209 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -3.427 -2.476 15.298 1.00 10.00 H new ATOM 559 N LYS A 37 -3.192 -5.214 14.201 1.00 10.00 N ATOM 560 CA LYS A 37 -3.942 -6.391 13.784 1.00 10.00 C ATOM 561 C LYS A 37 -3.065 -7.352 12.972 1.00 10.00 C ATOM 562 O LYS A 37 -3.215 -8.565 13.082 1.00 10.00 O ATOM 563 CB LYS A 37 -5.181 -5.935 13.003 1.00 10.00 C ATOM 564 CG LYS A 37 -6.176 -5.272 13.965 1.00 10.00 C ATOM 565 CD LYS A 37 -7.278 -4.532 13.200 1.00 10.00 C ATOM 566 CE LYS A 37 -8.219 -3.861 14.210 1.00 10.00 C ATOM 567 NZ LYS A 37 -9.259 -3.055 13.537 1.00 10.00 N ATOM 0 H LYS A 37 -3.193 -4.468 13.505 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.268 -6.949 14.662 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.893 -5.233 12.220 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -5.648 -6.788 12.510 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -6.623 -6.029 14.609 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.648 -4.573 14.614 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.841 -3.785 12.538 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -7.834 -5.228 12.572 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -8.693 -4.624 14.828 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.640 -3.223 14.878 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.875 -2.617 14.251 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.807 -2.311 12.967 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -9.827 -3.668 12.918 1.00 10.00 H new ATOM 581 N GLY A 38 -2.188 -6.822 12.110 1.00 10.00 N ATOM 582 CA GLY A 38 -1.298 -7.634 11.281 1.00 10.00 C ATOM 583 C GLY A 38 -0.833 -6.863 10.043 1.00 10.00 C ATOM 584 O GLY A 38 -0.615 -5.657 10.118 1.00 10.00 O ATOM 0 H GLY A 38 -2.078 -5.818 11.970 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.432 -7.942 11.867 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.814 -8.544 10.973 1.00 10.00 H new ATOM 588 N VAL A 39 -0.691 -7.551 8.905 1.00 10.00 N ATOM 589 CA VAL A 39 -0.176 -6.970 7.661 1.00 10.00 C ATOM 590 C VAL A 39 -1.144 -7.232 6.502 1.00 10.00 C ATOM 591 O VAL A 39 -1.697 -6.307 5.913 1.00 10.00 O ATOM 592 CB VAL A 39 1.237 -7.516 7.389 1.00 10.00 C ATOM 593 CG1 VAL A 39 1.863 -6.797 6.189 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.136 -7.333 8.620 1.00 10.00 C ATOM 0 H VAL A 39 -0.933 -8.538 8.821 1.00 10.00 H new ATOM 0 HA VAL A 39 -0.100 -5.887 7.760 1.00 10.00 H new ATOM 0 HB VAL A 39 1.151 -8.580 7.168 1.00 10.00 H new ATOM 0 HG11 VAL A 39 2.862 -7.193 6.008 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.244 -6.956 5.306 1.00 10.00 H new ATOM 0 HG13 VAL A 39 1.929 -5.729 6.398 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.130 -7.726 8.406 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.209 -6.273 8.863 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.708 -7.870 9.466 1.00 10.00 H new ATOM 604 N ASP A 40 -1.394 -8.506 6.199 1.00 10.00 N ATOM 605 CA ASP A 40 -2.324 -8.987 5.184 1.00 10.00 C ATOM 606 C ASP A 40 -3.688 -8.265 5.202 1.00 10.00 C ATOM 607 O ASP A 40 -4.279 -7.996 4.157 1.00 10.00 O ATOM 608 CB ASP A 40 -2.438 -10.504 5.391 1.00 10.00 C ATOM 609 CG ASP A 40 -1.076 -11.167 5.267 1.00 10.00 C ATOM 610 OD1 ASP A 40 -0.196 -10.863 6.104 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.862 -11.866 4.256 1.00 10.00 O ATOM 0 H ASP A 40 -0.925 -9.271 6.684 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.945 -8.762 4.187 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.861 -10.711 6.374 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -3.122 -10.926 4.655 1.00 10.00 H new ATOM 616 N ASN A 41 -4.150 -7.867 6.393 1.00 10.00 N ATOM 617 CA ASN A 41 -5.357 -7.052 6.603 1.00 10.00 C ATOM 618 C ASN A 41 -5.429 -5.809 5.698 1.00 10.00 C ATOM 619 O ASN A 41 -6.508 -5.274 5.432 1.00 10.00 O ATOM 620 CB ASN A 41 -5.439 -6.581 8.064 1.00 10.00 C ATOM 621 CG ASN A 41 -4.997 -7.614 9.088 1.00 10.00 C ATOM 622 OD1 ASN A 41 -5.332 -8.786 9.005 1.00 10.00 O ATOM 623 ND2 ASN A 41 -4.211 -7.178 10.059 1.00 10.00 N ATOM 0 H ASN A 41 -3.681 -8.110 7.266 1.00 10.00 H new ATOM 0 HA ASN A 41 -6.194 -7.703 6.348 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.824 -5.688 8.179 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.467 -6.290 8.281 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -3.866 -7.827 10.766 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.950 -6.193 10.100 1.00 10.00 H new ATOM 630 N LEU A 42 -4.272 -5.339 5.240 1.00 10.00 N ATOM 631 CA LEU A 42 -4.120 -4.216 4.342 1.00 10.00 C ATOM 632 C LEU A 42 -4.028 -4.675 2.885 1.00 10.00 C ATOM 633 O LEU A 42 -4.766 -4.147 2.060 1.00 10.00 O ATOM 634 CB LEU A 42 -2.907 -3.408 4.795 1.00 10.00 C ATOM 635 CG LEU A 42 -3.101 -2.687 6.148 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.536 -2.181 6.350 1.00 10.00 C ATOM 637 CD2 LEU A 42 -2.671 -3.554 7.339 1.00 10.00 C ATOM 0 H LEU A 42 -3.378 -5.755 5.502 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.000 -3.574 4.382 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.047 -4.074 4.870 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.671 -2.667 4.031 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.445 -1.817 6.108 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -4.614 -1.683 7.317 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.788 -1.476 5.558 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.227 -3.024 6.319 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -2.827 -3.002 8.266 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.264 -4.468 7.357 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -1.616 -3.808 7.242 1.00 10.00 H new ATOM 649 N VAL A 43 -3.211 -5.686 2.564 1.00 10.00 N ATOM 650 CA VAL A 43 -3.158 -6.300 1.232 1.00 10.00 C ATOM 651 C VAL A 43 -4.557 -6.726 0.737 1.00 10.00 C ATOM 652 O VAL A 43 -4.883 -6.593 -0.441 1.00 10.00 O ATOM 653 CB VAL A 43 -2.106 -7.424 1.109 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.722 -8.824 1.240 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.405 -7.351 -0.263 1.00 10.00 C ATOM 0 H VAL A 43 -2.561 -6.105 3.229 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.810 -5.519 0.556 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.399 -7.270 1.924 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.939 -9.576 1.146 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -3.203 -8.920 2.213 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.462 -8.971 0.454 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.666 -8.149 -0.337 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.144 -7.467 -1.056 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.909 -6.386 -0.367 1.00 10.00 H new ATOM 665 N LYS A 44 -5.437 -7.175 1.639 1.00 10.00 N ATOM 666 CA LYS A 44 -6.839 -7.372 1.267 1.00 10.00 C ATOM 667 C LYS A 44 -7.565 -6.046 0.968 1.00 10.00 C ATOM 668 O LYS A 44 -8.296 -5.953 -0.014 1.00 10.00 O ATOM 669 CB LYS A 44 -7.605 -8.234 2.280 1.00 10.00 C ATOM 670 CG LYS A 44 -7.373 -7.785 3.721 1.00 10.00 C ATOM 671 CD LYS A 44 -8.632 -7.810 4.590 1.00 10.00 C ATOM 672 CE LYS A 44 -9.522 -6.586 4.335 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.800 -6.677 5.072 1.00 10.00 N ATOM 0 H LYS A 44 -5.210 -7.403 2.607 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.823 -7.934 0.333 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.671 -8.191 2.056 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.298 -9.274 2.173 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.618 -8.428 4.174 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.968 -6.773 3.715 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -9.197 -8.720 4.386 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -8.348 -7.840 5.642 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -8.992 -5.682 4.635 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.723 -6.498 3.267 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.375 -5.833 4.875 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -11.317 -7.527 4.767 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.609 -6.736 6.093 1.00 10.00 H new ATOM 687 N SER A 45 -7.375 -5.007 1.791 1.00 10.00 N ATOM 688 CA SER A 45 -8.064 -3.727 1.633 1.00 10.00 C ATOM 689 C SER A 45 -7.654 -3.061 0.313 1.00 10.00 C ATOM 690 O SER A 45 -8.484 -2.554 -0.438 1.00 10.00 O ATOM 691 CB SER A 45 -7.762 -2.817 2.835 1.00 10.00 C ATOM 692 OG SER A 45 -8.140 -3.437 4.055 1.00 10.00 O ATOM 0 H SER A 45 -6.737 -5.034 2.586 1.00 10.00 H new ATOM 0 HA SER A 45 -9.140 -3.900 1.599 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.698 -2.581 2.858 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.295 -1.873 2.723 1.00 10.00 H new ATOM 0 HG SER A 45 -7.424 -4.037 4.353 1.00 10.00 H new ATOM 698 N VAL A 46 -6.356 -3.107 0.016 1.00 10.00 N ATOM 699 CA VAL A 46 -5.775 -2.564 -1.201 1.00 10.00 C ATOM 700 C VAL A 46 -6.257 -3.318 -2.441 1.00 10.00 C ATOM 701 O VAL A 46 -6.740 -2.698 -3.391 1.00 10.00 O ATOM 702 CB VAL A 46 -4.244 -2.511 -1.054 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.624 -3.889 -1.054 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.528 -1.818 -2.191 1.00 10.00 C ATOM 0 H VAL A 46 -5.666 -3.535 0.634 1.00 10.00 H new ATOM 0 HA VAL A 46 -6.119 -1.541 -1.351 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.121 -1.971 -0.115 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.543 -3.801 -0.948 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -4.024 -4.468 -0.222 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.857 -4.393 -1.992 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.454 -1.827 -2.004 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.738 -2.339 -3.125 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.875 -0.787 -2.265 1.00 10.00 H new ATOM 714 N LYS A 47 -6.197 -4.655 -2.413 1.00 10.00 N ATOM 715 CA LYS A 47 -6.700 -5.446 -3.525 1.00 10.00 C ATOM 716 C LYS A 47 -8.208 -5.229 -3.711 1.00 10.00 C ATOM 717 O LYS A 47 -8.734 -5.302 -4.817 1.00 10.00 O ATOM 718 CB LYS A 47 -6.245 -6.912 -3.405 1.00 10.00 C ATOM 719 CG LYS A 47 -7.173 -7.933 -2.734 1.00 10.00 C ATOM 720 CD LYS A 47 -8.490 -8.125 -3.489 1.00 10.00 C ATOM 721 CE LYS A 47 -9.106 -9.510 -3.281 1.00 10.00 C ATOM 722 NZ LYS A 47 -10.582 -9.423 -3.339 1.00 10.00 N ATOM 0 H LYS A 47 -5.810 -5.198 -1.641 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.258 -5.100 -4.459 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.034 -7.273 -4.412 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.301 -6.919 -2.859 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -6.659 -8.891 -2.661 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.387 -7.608 -1.716 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -9.201 -7.365 -3.165 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -8.318 -7.967 -4.554 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -8.744 -10.196 -4.046 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -8.795 -9.914 -2.318 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -10.991 -10.368 -3.197 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -10.922 -8.783 -2.593 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -10.872 -9.057 -4.268 1.00 10.00 H new ATOM 736 N THR A 48 -8.925 -4.979 -2.614 1.00 10.00 N ATOM 737 CA THR A 48 -10.358 -4.678 -2.655 1.00 10.00 C ATOM 738 C THR A 48 -10.645 -3.264 -3.178 1.00 10.00 C ATOM 739 O THR A 48 -11.659 -3.066 -3.841 1.00 10.00 O ATOM 740 CB THR A 48 -10.983 -4.930 -1.274 1.00 10.00 C ATOM 741 OG1 THR A 48 -11.084 -6.331 -1.079 1.00 10.00 O ATOM 742 CG2 THR A 48 -12.386 -4.338 -1.114 1.00 10.00 C ATOM 0 H THR A 48 -8.530 -4.979 -1.674 1.00 10.00 H new ATOM 0 HA THR A 48 -10.828 -5.352 -3.371 1.00 10.00 H new ATOM 0 HB THR A 48 -10.337 -4.443 -0.543 1.00 10.00 H new ATOM 0 HG1 THR A 48 -10.251 -6.668 -0.687 1.00 10.00 H new ATOM 0 HG21 THR A 48 -12.761 -4.557 -0.114 1.00 10.00 H new ATOM 0 HG22 THR A 48 -12.344 -3.258 -1.258 1.00 10.00 H new ATOM 0 HG23 THR A 48 -13.053 -4.777 -1.856 1.00 10.00 H new ATOM 750 N GLY A 49 -9.779 -2.285 -2.894 1.00 10.00 N ATOM 751 CA GLY A 49 -10.059 -0.878 -3.143 1.00 10.00 C ATOM 752 C GLY A 49 -10.747 -0.247 -1.938 1.00 10.00 C ATOM 753 O GLY A 49 -11.879 -0.584 -1.597 1.00 10.00 O ATOM 0 H GLY A 49 -8.861 -2.454 -2.483 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.130 -0.349 -3.357 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.693 -0.778 -4.024 1.00 10.00 H new ATOM 757 N LEU A 50 -10.052 0.686 -1.294 1.00 10.00 N ATOM 758 CA LEU A 50 -10.653 1.601 -0.335 1.00 10.00 C ATOM 759 C LEU A 50 -11.485 2.672 -1.080 1.00 10.00 C ATOM 760 O LEU A 50 -11.691 2.587 -2.283 1.00 10.00 O ATOM 761 CB LEU A 50 -9.511 2.196 0.498 1.00 10.00 C ATOM 762 CG LEU A 50 -9.890 2.410 1.970 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.592 1.147 2.785 1.00 10.00 C ATOM 764 CD2 LEU A 50 -9.082 3.578 2.530 1.00 10.00 C ATOM 0 H LEU A 50 -9.050 0.827 -1.425 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.348 1.095 0.335 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.646 1.534 0.444 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.211 3.150 0.064 1.00 10.00 H new ATOM 0 HG LEU A 50 -10.956 2.628 2.036 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -9.866 1.313 3.827 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -10.169 0.312 2.387 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.529 0.916 2.722 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.347 3.735 3.576 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.018 3.354 2.455 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -9.304 4.480 1.960 1.00 10.00 H new ATOM 776 N ASN A 51 -11.951 3.719 -0.398 1.00 10.00 N ATOM 777 CA ASN A 51 -12.874 4.708 -0.979 1.00 10.00 C ATOM 778 C ASN A 51 -12.210 5.517 -2.089 1.00 10.00 C ATOM 779 O ASN A 51 -12.658 5.570 -3.230 1.00 10.00 O ATOM 780 CB ASN A 51 -13.378 5.662 0.114 1.00 10.00 C ATOM 781 CG ASN A 51 -13.874 4.841 1.284 1.00 10.00 C ATOM 782 OD1 ASN A 51 -15.010 4.393 1.324 1.00 10.00 O ATOM 783 ND2 ASN A 51 -12.957 4.533 2.190 1.00 10.00 N ATOM 0 H ASN A 51 -11.702 3.910 0.573 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.712 4.161 -1.411 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.576 6.328 0.433 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.180 6.291 -0.273 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -13.189 3.901 2.956 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -12.019 4.928 2.121 1.00 10.00 H new ATOM 790 N ALA A 52 -11.108 6.152 -1.703 1.00 10.00 N ATOM 791 CA ALA A 52 -10.237 6.926 -2.567 1.00 10.00 C ATOM 792 C ALA A 52 -9.265 6.041 -3.363 1.00 10.00 C ATOM 793 O ALA A 52 -8.429 6.569 -4.093 1.00 10.00 O ATOM 794 CB ALA A 52 -9.479 7.889 -1.656 1.00 10.00 C ATOM 0 H ALA A 52 -10.787 6.138 -0.735 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.824 7.458 -3.316 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -8.804 8.501 -2.255 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.189 8.533 -1.137 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -8.902 7.321 -0.926 1.00 10.00 H new ATOM 800 N MET A 53 -9.347 4.710 -3.208 1.00 10.00 N ATOM 801 CA MET A 53 -8.480 3.770 -3.928 1.00 10.00 C ATOM 802 C MET A 53 -9.237 2.960 -4.999 1.00 10.00 C ATOM 803 O MET A 53 -10.356 2.516 -4.761 1.00 10.00 O ATOM 804 CB MET A 53 -7.819 2.833 -2.915 1.00 10.00 C ATOM 805 CG MET A 53 -6.520 3.452 -2.407 1.00 10.00 C ATOM 806 SD MET A 53 -5.867 2.731 -0.886 1.00 10.00 S ATOM 807 CE MET A 53 -5.516 1.062 -1.450 1.00 10.00 C ATOM 0 H MET A 53 -10.014 4.259 -2.582 1.00 10.00 H new ATOM 0 HA MET A 53 -7.725 4.348 -4.460 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.496 2.650 -2.080 1.00 10.00 H new ATOM 0 HB3 MET A 53 -7.615 1.868 -3.378 1.00 10.00 H new ATOM 0 HG2 MET A 53 -5.764 3.361 -3.187 1.00 10.00 H new ATOM 0 HG3 MET A 53 -6.683 4.517 -2.244 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.022 0.505 -0.654 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.448 0.564 -1.716 1.00 10.00 H new ATOM 0 HE3 MET A 53 -4.864 1.102 -2.323 1.00 10.00 H new ATOM 817 N PRO A 54 -8.638 2.711 -6.174 1.00 10.00 N ATOM 818 CA PRO A 54 -9.252 1.854 -7.178 1.00 10.00 C ATOM 819 C PRO A 54 -9.254 0.385 -6.712 1.00 10.00 C ATOM 820 O PRO A 54 -8.350 -0.031 -5.982 1.00 10.00 O ATOM 821 CB PRO A 54 -8.420 2.063 -8.446 1.00 10.00 C ATOM 822 CG PRO A 54 -7.041 2.431 -7.902 1.00 10.00 C ATOM 823 CD PRO A 54 -7.332 3.180 -6.605 1.00 10.00 C ATOM 0 HA PRO A 54 -10.299 2.102 -7.356 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -8.384 1.161 -9.057 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.831 2.856 -9.071 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -6.435 1.543 -7.721 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.490 3.055 -8.606 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.572 2.972 -5.852 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.335 4.258 -6.766 1.00 10.00 H new ATOM 831 N PRO A 55 -10.255 -0.411 -7.126 1.00 10.00 N ATOM 832 CA PRO A 55 -10.377 -1.810 -6.742 1.00 10.00 C ATOM 833 C PRO A 55 -9.220 -2.617 -7.322 1.00 10.00 C ATOM 834 O PRO A 55 -9.187 -2.876 -8.523 1.00 10.00 O ATOM 835 CB PRO A 55 -11.749 -2.260 -7.251 1.00 10.00 C ATOM 836 CG PRO A 55 -11.981 -1.357 -8.462 1.00 10.00 C ATOM 837 CD PRO A 55 -11.326 -0.041 -8.038 1.00 10.00 C ATOM 0 HA PRO A 55 -10.318 -1.962 -5.664 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -11.751 -3.314 -7.528 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -12.523 -2.128 -6.495 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -11.523 -1.764 -9.363 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -13.043 -1.230 -8.674 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.936 0.498 -8.901 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -12.046 0.616 -7.550 1.00 10.00 H new ATOM 845 N GLY A 56 -8.254 -2.985 -6.473 1.00 10.00 N ATOM 846 CA GLY A 56 -7.069 -3.710 -6.908 1.00 10.00 C ATOM 847 C GLY A 56 -5.795 -2.875 -6.831 1.00 10.00 C ATOM 848 O GLY A 56 -4.831 -3.201 -7.519 1.00 10.00 O ATOM 0 H GLY A 56 -8.277 -2.787 -5.473 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.950 -4.602 -6.293 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -7.213 -4.048 -7.934 1.00 10.00 H new ATOM 852 N GLY A 57 -5.753 -1.821 -6.006 1.00 10.00 N ATOM 853 CA GLY A 57 -4.568 -0.980 -5.802 1.00 10.00 C ATOM 854 C GLY A 57 -3.922 -0.467 -7.096 1.00 10.00 C ATOM 855 O GLY A 57 -2.704 -0.319 -7.174 1.00 10.00 O ATOM 0 H GLY A 57 -6.556 -1.524 -5.452 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.846 -0.125 -5.186 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.826 -1.549 -5.241 1.00 10.00 H new ATOM 859 N MET A 58 -4.747 -0.211 -8.117 1.00 10.00 N ATOM 860 CA MET A 58 -4.345 0.207 -9.459 1.00 10.00 C ATOM 861 C MET A 58 -3.436 -0.827 -10.160 1.00 10.00 C ATOM 862 O MET A 58 -2.595 -0.487 -10.995 1.00 10.00 O ATOM 863 CB MET A 58 -3.743 1.622 -9.409 1.00 10.00 C ATOM 864 CG MET A 58 -3.993 2.356 -10.734 1.00 10.00 C ATOM 865 SD MET A 58 -3.047 3.878 -10.995 1.00 10.00 S ATOM 866 CE MET A 58 -4.275 5.125 -10.566 1.00 10.00 C ATOM 0 H MET A 58 -5.759 -0.294 -8.023 1.00 10.00 H new ATOM 0 HA MET A 58 -5.235 0.252 -10.086 1.00 10.00 H new ATOM 0 HB2 MET A 58 -4.185 2.183 -8.586 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.672 1.562 -9.215 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.772 1.671 -11.552 1.00 10.00 H new ATOM 0 HG3 MET A 58 -5.054 2.597 -10.797 1.00 10.00 H new ATOM 0 HE1 MET A 58 -3.840 6.118 -10.678 1.00 10.00 H new ATOM 0 HE2 MET A 58 -5.136 5.030 -11.227 1.00 10.00 H new ATOM 0 HE3 MET A 58 -4.593 4.983 -9.533 1.00 10.00 H new ATOM 876 N CYS A 59 -3.626 -2.104 -9.817 1.00 10.00 N ATOM 877 CA CYS A 59 -2.885 -3.257 -10.315 1.00 10.00 C ATOM 878 C CYS A 59 -3.817 -4.176 -11.132 1.00 10.00 C ATOM 879 O CYS A 59 -4.983 -3.854 -11.343 1.00 10.00 O ATOM 880 CB CYS A 59 -2.243 -3.941 -9.093 1.00 10.00 C ATOM 881 SG CYS A 59 -0.441 -3.904 -9.034 1.00 10.00 S ATOM 0 H CYS A 59 -4.344 -2.372 -9.144 1.00 10.00 H new ATOM 0 HA CYS A 59 -2.091 -2.973 -11.006 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -2.628 -3.466 -8.190 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -2.568 -4.981 -9.070 1.00 10.00 H new ATOM 886 N THR A 60 -3.302 -5.307 -11.627 1.00 10.00 N ATOM 887 CA THR A 60 -4.093 -6.282 -12.397 1.00 10.00 C ATOM 888 C THR A 60 -3.611 -7.708 -12.122 1.00 10.00 C ATOM 889 O THR A 60 -4.290 -8.475 -11.443 1.00 10.00 O ATOM 890 CB THR A 60 -4.163 -5.913 -13.897 1.00 10.00 C ATOM 891 OG1 THR A 60 -4.671 -6.981 -14.666 1.00 10.00 O ATOM 892 CG2 THR A 60 -2.860 -5.443 -14.555 1.00 10.00 C ATOM 0 H THR A 60 -2.325 -5.575 -11.507 1.00 10.00 H new ATOM 0 HA THR A 60 -5.127 -6.242 -12.054 1.00 10.00 H new ATOM 0 HB THR A 60 -4.831 -5.052 -13.892 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.947 -7.609 -14.872 1.00 10.00 H new ATOM 0 HG21 THR A 60 -3.044 -5.216 -15.605 1.00 10.00 H new ATOM 0 HG22 THR A 60 -2.499 -4.548 -14.048 1.00 10.00 H new ATOM 0 HG23 THR A 60 -2.110 -6.230 -14.480 1.00 10.00 H new ATOM 900 N ASP A 61 -2.396 -8.031 -12.562 1.00 10.00 N ATOM 901 CA ASP A 61 -1.805 -9.359 -12.464 1.00 10.00 C ATOM 902 C ASP A 61 -0.729 -9.402 -11.361 1.00 10.00 C ATOM 903 O ASP A 61 0.258 -10.127 -11.450 1.00 10.00 O ATOM 904 CB ASP A 61 -1.288 -9.698 -13.867 1.00 10.00 C ATOM 905 CG ASP A 61 -2.423 -9.623 -14.877 1.00 10.00 C ATOM 906 OD1 ASP A 61 -2.633 -8.512 -15.413 1.00 10.00 O ATOM 907 OD2 ASP A 61 -3.091 -10.661 -15.055 1.00 10.00 O ATOM 0 H ASP A 61 -1.779 -7.353 -13.010 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.526 -10.117 -12.159 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -0.495 -9.005 -14.148 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -0.853 -10.698 -13.871 1.00 10.00 H new ATOM 912 N CYS A 62 -0.923 -8.590 -10.317 1.00 10.00 N ATOM 913 CA CYS A 62 0.048 -8.356 -9.253 1.00 10.00 C ATOM 914 C CYS A 62 -0.122 -9.373 -8.121 1.00 10.00 C ATOM 915 O CYS A 62 -1.149 -9.382 -7.445 1.00 10.00 O ATOM 916 CB CYS A 62 -0.116 -6.920 -8.756 1.00 10.00 C ATOM 917 SG CYS A 62 0.081 -5.666 -10.045 1.00 10.00 S ATOM 0 H CYS A 62 -1.787 -8.063 -10.189 1.00 10.00 H new ATOM 0 HA CYS A 62 1.060 -8.488 -9.637 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.104 -6.813 -8.307 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.614 -6.734 -7.968 1.00 10.00 H new ATOM 922 N THR A 63 0.871 -10.240 -7.915 1.00 10.00 N ATOM 923 CA THR A 63 0.800 -11.325 -6.949 1.00 10.00 C ATOM 924 C THR A 63 1.232 -10.834 -5.563 1.00 10.00 C ATOM 925 O THR A 63 2.026 -9.901 -5.429 1.00 10.00 O ATOM 926 CB THR A 63 1.679 -12.481 -7.451 1.00 10.00 C ATOM 927 OG1 THR A 63 2.880 -11.952 -7.956 1.00 10.00 O ATOM 928 CG2 THR A 63 1.015 -13.226 -8.609 1.00 10.00 C ATOM 0 H THR A 63 1.755 -10.204 -8.423 1.00 10.00 H new ATOM 0 HA THR A 63 -0.225 -11.682 -6.851 1.00 10.00 H new ATOM 0 HB THR A 63 1.840 -13.160 -6.614 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.517 -12.680 -8.116 1.00 10.00 H new ATOM 0 HG21 THR A 63 1.664 -14.037 -8.940 1.00 10.00 H new ATOM 0 HG22 THR A 63 0.061 -13.636 -8.278 1.00 10.00 H new ATOM 0 HG23 THR A 63 0.846 -12.536 -9.436 1.00 10.00 H new ATOM 936 N ASP A 64 0.691 -11.458 -4.510 1.00 10.00 N ATOM 937 CA ASP A 64 0.971 -11.125 -3.119 1.00 10.00 C ATOM 938 C ASP A 64 2.462 -10.978 -2.800 1.00 10.00 C ATOM 939 O ASP A 64 2.826 -10.117 -2.007 1.00 10.00 O ATOM 940 CB ASP A 64 0.299 -12.163 -2.217 1.00 10.00 C ATOM 941 CG ASP A 64 -0.992 -11.621 -1.634 1.00 10.00 C ATOM 942 OD1 ASP A 64 -0.879 -10.950 -0.586 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.046 -11.862 -2.259 1.00 10.00 O ATOM 0 H ASP A 64 0.030 -12.228 -4.611 1.00 10.00 H new ATOM 0 HA ASP A 64 0.554 -10.136 -2.928 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.093 -13.068 -2.789 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.977 -12.443 -1.411 1.00 10.00 H new ATOM 948 N GLU A 65 3.329 -11.777 -3.424 1.00 10.00 N ATOM 949 CA GLU A 65 4.773 -11.601 -3.325 1.00 10.00 C ATOM 950 C GLU A 65 5.180 -10.138 -3.594 1.00 10.00 C ATOM 951 O GLU A 65 5.757 -9.490 -2.718 1.00 10.00 O ATOM 952 CB GLU A 65 5.468 -12.639 -4.223 1.00 10.00 C ATOM 953 CG GLU A 65 5.095 -12.498 -5.708 1.00 10.00 C ATOM 954 CD GLU A 65 5.308 -13.766 -6.528 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.272 -14.501 -6.227 1.00 10.00 O ATOM 956 OE2 GLU A 65 4.462 -13.989 -7.424 1.00 10.00 O ATOM 0 H GLU A 65 3.047 -12.562 -4.011 1.00 10.00 H new ATOM 0 HA GLU A 65 5.112 -11.790 -2.306 1.00 10.00 H new ATOM 0 HB2 GLU A 65 6.548 -12.539 -4.115 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.205 -13.640 -3.882 1.00 10.00 H new ATOM 0 HG2 GLU A 65 4.049 -12.202 -5.782 1.00 10.00 H new ATOM 0 HG3 GLU A 65 5.685 -11.693 -6.145 1.00 10.00 H new ATOM 963 N ASP A 66 4.801 -9.574 -4.747 1.00 10.00 N ATOM 964 CA ASP A 66 5.145 -8.199 -5.088 1.00 10.00 C ATOM 965 C ASP A 66 4.261 -7.203 -4.315 1.00 10.00 C ATOM 966 O ASP A 66 4.735 -6.160 -3.863 1.00 10.00 O ATOM 967 CB ASP A 66 5.088 -8.033 -6.613 1.00 10.00 C ATOM 968 CG ASP A 66 5.913 -9.096 -7.312 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.129 -9.137 -7.032 1.00 10.00 O ATOM 970 OD2 ASP A 66 5.294 -9.835 -8.104 1.00 10.00 O ATOM 0 H ASP A 66 4.253 -10.056 -5.459 1.00 10.00 H new ATOM 0 HA ASP A 66 6.165 -7.972 -4.778 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.053 -8.093 -6.949 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.456 -7.044 -6.888 1.00 10.00 H new ATOM 975 N TYR A 67 2.978 -7.531 -4.112 1.00 10.00 N ATOM 976 CA TYR A 67 2.035 -6.669 -3.407 1.00 10.00 C ATOM 977 C TYR A 67 2.501 -6.400 -1.965 1.00 10.00 C ATOM 978 O TYR A 67 2.648 -5.260 -1.529 1.00 10.00 O ATOM 979 CB TYR A 67 0.643 -7.333 -3.445 1.00 10.00 C ATOM 980 CG TYR A 67 -0.497 -6.463 -3.929 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.610 -5.129 -3.497 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.463 -7.002 -4.803 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.654 -4.328 -3.981 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.517 -6.200 -5.271 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.613 -4.868 -4.848 1.00 10.00 C ATOM 986 OH TYR A 67 -3.639 -4.088 -5.266 1.00 10.00 O ATOM 0 H TYR A 67 2.568 -8.407 -4.436 1.00 10.00 H new ATOM 0 HA TYR A 67 1.981 -5.698 -3.899 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.700 -8.212 -4.087 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.404 -7.685 -2.442 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.104 -4.724 -2.796 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.392 -8.034 -5.113 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.719 -3.292 -3.685 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.249 -6.608 -5.953 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.616 -4.013 -6.243 1.00 10.00 H new ATOM 996 N LYS A 68 2.782 -7.475 -1.230 1.00 10.00 N ATOM 997 CA LYS A 68 3.257 -7.444 0.146 1.00 10.00 C ATOM 998 C LYS A 68 4.631 -6.792 0.180 1.00 10.00 C ATOM 999 O LYS A 68 4.845 -5.883 0.973 1.00 10.00 O ATOM 1000 CB LYS A 68 3.310 -8.857 0.748 1.00 10.00 C ATOM 1001 CG LYS A 68 1.920 -9.497 0.903 1.00 10.00 C ATOM 1002 CD LYS A 68 1.168 -9.013 2.155 1.00 10.00 C ATOM 1003 CE LYS A 68 1.694 -9.584 3.480 1.00 10.00 C ATOM 1004 NZ LYS A 68 1.480 -11.043 3.583 1.00 10.00 N ATOM 0 H LYS A 68 2.680 -8.423 -1.592 1.00 10.00 H new ATOM 0 HA LYS A 68 2.561 -6.861 0.750 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.928 -9.493 0.114 1.00 10.00 H new ATOM 0 HB3 LYS A 68 3.794 -8.812 1.724 1.00 10.00 H new ATOM 0 HG2 LYS A 68 1.323 -9.273 0.019 1.00 10.00 H new ATOM 0 HG3 LYS A 68 2.029 -10.581 0.948 1.00 10.00 H new ATOM 0 HD2 LYS A 68 1.222 -7.925 2.197 1.00 10.00 H new ATOM 0 HD3 LYS A 68 0.115 -9.276 2.054 1.00 10.00 H new ATOM 0 HE2 LYS A 68 2.758 -9.367 3.570 1.00 10.00 H new ATOM 0 HE3 LYS A 68 1.196 -9.086 4.312 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 1.708 -11.360 4.547 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 0.486 -11.264 3.372 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 2.095 -11.533 2.903 1.00 10.00 H new ATOM 1018 N ALA A 69 5.535 -7.188 -0.723 1.00 10.00 N ATOM 1019 CA ALA A 69 6.830 -6.535 -0.843 1.00 10.00 C ATOM 1020 C ALA A 69 6.707 -5.009 -1.036 1.00 10.00 C ATOM 1021 O ALA A 69 7.523 -4.237 -0.540 1.00 10.00 O ATOM 1022 CB ALA A 69 7.641 -7.198 -1.951 1.00 10.00 C ATOM 0 H ALA A 69 5.388 -7.957 -1.377 1.00 10.00 H new ATOM 0 HA ALA A 69 7.365 -6.664 0.098 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.610 -6.706 -2.037 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.789 -8.251 -1.713 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.105 -7.111 -2.896 1.00 10.00 H new ATOM 1028 N ALA A 70 5.675 -4.545 -1.746 1.00 10.00 N ATOM 1029 CA ALA A 70 5.444 -3.115 -1.971 1.00 10.00 C ATOM 1030 C ALA A 70 5.004 -2.411 -0.678 1.00 10.00 C ATOM 1031 O ALA A 70 5.508 -1.342 -0.336 1.00 10.00 O ATOM 1032 CB ALA A 70 4.442 -2.919 -3.112 1.00 10.00 C ATOM 0 H ALA A 70 4.977 -5.149 -2.180 1.00 10.00 H new ATOM 0 HA ALA A 70 6.383 -2.648 -2.270 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.277 -1.854 -3.272 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.837 -3.366 -4.024 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.498 -3.398 -2.853 1.00 10.00 H new ATOM 1038 N ILE A 71 4.097 -3.042 0.071 1.00 10.00 N ATOM 1039 CA ILE A 71 3.726 -2.622 1.426 1.00 10.00 C ATOM 1040 C ILE A 71 4.935 -2.642 2.392 1.00 10.00 C ATOM 1041 O ILE A 71 5.149 -1.708 3.168 1.00 10.00 O ATOM 1042 CB ILE A 71 2.534 -3.489 1.896 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.176 -2.936 1.422 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.517 -3.724 3.411 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.643 -3.670 0.191 1.00 10.00 C ATOM 0 H ILE A 71 3.593 -3.869 -0.249 1.00 10.00 H new ATOM 0 HA ILE A 71 3.406 -1.580 1.421 1.00 10.00 H new ATOM 0 HB ILE A 71 2.688 -4.457 1.420 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.451 -3.018 2.232 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.279 -1.875 1.192 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.656 -4.339 3.674 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.433 -4.234 3.710 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.450 -2.766 3.927 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.316 -3.241 -0.101 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.352 -3.566 -0.630 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.512 -4.726 0.426 1.00 10.00 H new ATOM 1057 N GLU A 72 5.748 -3.701 2.357 1.00 10.00 N ATOM 1058 CA GLU A 72 6.864 -3.888 3.273 1.00 10.00 C ATOM 1059 C GLU A 72 8.056 -2.995 2.904 1.00 10.00 C ATOM 1060 O GLU A 72 8.799 -2.581 3.789 1.00 10.00 O ATOM 1061 CB GLU A 72 7.210 -5.379 3.400 1.00 10.00 C ATOM 1062 CG GLU A 72 8.362 -5.781 2.474 1.00 10.00 C ATOM 1063 CD GLU A 72 8.658 -7.277 2.454 1.00 10.00 C ATOM 1064 OE1 GLU A 72 7.705 -8.057 2.673 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.836 -7.610 2.210 1.00 10.00 O ATOM 0 H GLU A 72 5.644 -4.459 1.682 1.00 10.00 H new ATOM 0 HA GLU A 72 6.566 -3.559 4.268 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.480 -5.602 4.432 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.330 -5.977 3.164 1.00 10.00 H new ATOM 0 HG2 GLU A 72 8.129 -5.455 1.460 1.00 10.00 H new ATOM 0 HG3 GLU A 72 9.262 -5.248 2.781 1.00 10.00 H new ATOM 1072 N PHE A 73 8.219 -2.638 1.619 1.00 10.00 N ATOM 1073 CA PHE A 73 9.201 -1.627 1.221 1.00 10.00 C ATOM 1074 C PHE A 73 9.107 -0.392 2.128 1.00 10.00 C ATOM 1075 O PHE A 73 10.101 0.100 2.658 1.00 10.00 O ATOM 1076 CB PHE A 73 8.975 -1.225 -0.243 1.00 10.00 C ATOM 1077 CG PHE A 73 9.900 -0.115 -0.704 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.637 1.222 -0.342 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.099 -0.432 -1.367 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.607 2.216 -0.551 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.042 0.575 -1.634 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.808 1.892 -1.203 1.00 10.00 C ATOM 0 H PHE A 73 7.685 -3.034 0.846 1.00 10.00 H new ATOM 0 HA PHE A 73 10.199 -2.054 1.325 1.00 10.00 H new ATOM 0 HB2 PHE A 73 9.119 -2.098 -0.880 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.941 -0.905 -0.370 1.00 10.00 H new ATOM 0 HD1 PHE A 73 8.686 1.483 0.098 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.295 -1.450 -1.671 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.430 3.226 -0.212 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.948 0.336 -2.171 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.552 2.656 -1.373 1.00 10.00 H new ATOM 1092 N MET A 74 7.880 0.107 2.290 1.00 10.00 N ATOM 1093 CA MET A 74 7.583 1.261 3.119 1.00 10.00 C ATOM 1094 C MET A 74 7.789 0.952 4.609 1.00 10.00 C ATOM 1095 O MET A 74 8.400 1.735 5.335 1.00 10.00 O ATOM 1096 CB MET A 74 6.143 1.690 2.836 1.00 10.00 C ATOM 1097 CG MET A 74 5.982 2.330 1.446 1.00 10.00 C ATOM 1098 SD MET A 74 4.334 2.962 1.010 1.00 10.00 S ATOM 1099 CE MET A 74 3.466 1.465 0.487 1.00 10.00 C ATOM 0 H MET A 74 7.056 -0.291 1.839 1.00 10.00 H new ATOM 0 HA MET A 74 8.268 2.074 2.876 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.487 0.823 2.911 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.822 2.399 3.599 1.00 10.00 H new ATOM 0 HG2 MET A 74 6.691 3.154 1.369 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.269 1.591 0.698 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.157 1.568 -0.553 1.00 10.00 H new ATOM 0 HE2 MET A 74 4.130 0.606 0.585 1.00 10.00 H new ATOM 0 HE3 MET A 74 2.586 1.317 1.113 1.00 10.00 H new ATOM 1109 N SER A 75 7.250 -0.177 5.078 1.00 10.00 N ATOM 1110 CA SER A 75 7.430 -0.643 6.450 1.00 10.00 C ATOM 1111 C SER A 75 7.047 -2.123 6.591 1.00 10.00 C ATOM 1112 O SER A 75 7.914 -2.987 6.494 1.00 10.00 O ATOM 1113 CB SER A 75 6.685 0.316 7.388 1.00 10.00 C ATOM 1114 OG SER A 75 6.221 -0.301 8.577 1.00 10.00 O ATOM 0 H SER A 75 6.672 -0.796 4.509 1.00 10.00 H new ATOM 0 HA SER A 75 8.481 -0.619 6.740 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.347 1.141 7.651 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.836 0.745 6.856 1.00 10.00 H new ATOM 0 HG SER A 75 5.758 0.362 9.130 1.00 10.00 H new ATOM 1120 N LYS A 76 5.769 -2.422 6.848 1.00 10.00 N ATOM 1121 CA LYS A 76 5.194 -3.756 6.989 1.00 10.00 C ATOM 1122 C LYS A 76 3.734 -3.664 7.467 1.00 10.00 C ATOM 1123 O LYS A 76 3.362 -4.289 8.456 1.00 10.00 O ATOM 1124 CB LYS A 76 6.063 -4.661 7.888 1.00 10.00 C ATOM 1125 CG LYS A 76 6.562 -4.030 9.202 1.00 10.00 C ATOM 1126 CD LYS A 76 7.632 -4.890 9.889 1.00 10.00 C ATOM 1127 CE LYS A 76 7.039 -6.152 10.529 1.00 10.00 C ATOM 1128 NZ LYS A 76 8.096 -6.994 11.130 1.00 10.00 N ATOM 0 H LYS A 76 5.069 -1.691 6.970 1.00 10.00 H new ATOM 0 HA LYS A 76 5.184 -4.233 6.009 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.489 -5.555 8.133 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.930 -4.986 7.312 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.971 -3.041 8.996 1.00 10.00 H new ATOM 0 HG3 LYS A 76 5.719 -3.892 9.880 1.00 10.00 H new ATOM 0 HD2 LYS A 76 8.389 -5.176 9.159 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.135 -4.299 10.654 1.00 10.00 H new ATOM 0 HE2 LYS A 76 6.316 -5.870 11.294 1.00 10.00 H new ATOM 0 HE3 LYS A 76 6.498 -6.725 9.776 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 7.666 -7.840 11.555 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.771 -7.282 10.393 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 8.595 -6.453 11.865 1.00 10.00 H new ATOM 1142 N ALA A 77 2.900 -2.885 6.765 1.00 10.00 N ATOM 1143 CA ALA A 77 1.468 -2.773 7.061 1.00 10.00 C ATOM 1144 C ALA A 77 0.629 -2.228 5.895 1.00 10.00 C ATOM 1145 O ALA A 77 0.041 -3.005 5.152 1.00 10.00 O ATOM 1146 CB ALA A 77 1.244 -1.991 8.362 1.00 10.00 C ATOM 0 H ALA A 77 3.201 -2.314 5.975 1.00 10.00 H new ATOM 0 HA ALA A 77 1.101 -3.789 7.207 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.175 -1.919 8.564 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.735 -2.508 9.186 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.662 -0.990 8.261 1.00 10.00 H new ATOM 1152 N LYS A 78 0.543 -0.902 5.770 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.303 -0.190 4.813 1.00 10.00 C ATOM 1154 C LYS A 78 0.375 0.155 3.472 1.00 10.00 C ATOM 1155 O LYS A 78 -0.108 1.090 2.792 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.963 1.024 5.500 1.00 10.00 C ATOM 1157 CG LYS A 78 0.017 1.964 6.227 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.034 3.418 5.753 1.00 10.00 C ATOM 1159 CE LYS A 78 0.517 3.508 4.324 1.00 10.00 C ATOM 1160 NZ LYS A 78 1.321 4.723 4.082 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.350 -0.534 3.115 1.00 10.00 O ATOM 0 H LYS A 78 1.085 -0.269 6.359 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.086 -0.884 4.508 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.506 1.598 4.749 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.699 0.662 6.218 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.196 1.935 7.296 1.00 10.00 H new ATOM 0 HG3 LYS A 78 1.031 1.586 6.094 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.060 3.786 5.783 1.00 10.00 H new ATOM 0 HD3 LYS A 78 0.551 4.050 6.421 1.00 10.00 H new ATOM 0 HE2 LYS A 78 1.130 2.629 4.123 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.314 3.485 3.620 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 2.137 4.485 3.483 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.736 5.437 3.603 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 1.657 5.104 4.990 1.00 10.00 H new