USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 553 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 15 CYS SG : rot 180:sc=-0.00726 USER MOD Set 1.2: A 59 TYR OH : rot -109:sc= -0.0933 USER MOD Single : A 1 MET CE :methyl -135:sc= -0.0515 (180deg=-0.491) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.136 (180deg=-0.205) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-6.24e-05 X(o=-6.2e-05,f=0.0039) USER MOD Single : A 14 HIS : no HD1:sc=-0.00559 X(o=-0.0056,f=-0.27) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0596) USER MOD Single : A 17 MET CE :methyl 168:sc= -0.041 (180deg=-0.241) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0464 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 2:sc= 0.822 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.828 X(o=-0.83,f=-0.62) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.761 2.331 3.629 1.00 0.00 N ATOM 2 CA MET A 1 13.196 3.459 2.863 1.00 0.00 C ATOM 3 C MET A 1 11.695 3.255 2.836 1.00 0.00 C ATOM 4 O MET A 1 11.249 2.112 2.945 1.00 0.00 O ATOM 5 CB MET A 1 13.754 3.529 1.442 1.00 0.00 C ATOM 6 CG MET A 1 15.216 3.983 1.440 1.00 0.00 C ATOM 7 SD MET A 1 16.198 3.355 0.050 1.00 0.00 S ATOM 8 CE MET A 1 16.233 1.586 0.449 1.00 0.00 C ATOM 0 H1 MET A 1 14.183 2.687 4.511 1.00 0.00 H new ATOM 0 H2 MET A 1 13.006 1.652 3.855 1.00 0.00 H new ATOM 0 H3 MET A 1 14.493 1.858 3.062 1.00 0.00 H new ATOM 0 HA MET A 1 13.465 4.403 3.337 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.674 2.550 0.969 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.156 4.220 0.848 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.245 5.073 1.425 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.683 3.664 2.372 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.245 1.204 0.319 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.920 1.440 1.483 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.555 1.050 -0.215 1.00 0.00 H new ATOM 18 N ARG A 2 10.893 4.316 2.739 1.00 0.00 N ATOM 19 CA ARG A 2 9.444 4.159 2.795 1.00 0.00 C ATOM 20 C ARG A 2 8.780 4.993 1.721 1.00 0.00 C ATOM 21 O ARG A 2 9.340 6.000 1.294 1.00 0.00 O ATOM 22 CB ARG A 2 8.947 4.465 4.214 1.00 0.00 C ATOM 23 CG ARG A 2 8.747 5.963 4.426 1.00 0.00 C ATOM 24 CD ARG A 2 8.780 6.419 5.880 1.00 0.00 C ATOM 25 NE ARG A 2 7.587 5.997 6.643 1.00 0.00 N ATOM 26 CZ ARG A 2 6.908 6.774 7.495 1.00 0.00 C ATOM 27 NH1 ARG A 2 7.392 7.954 7.865 1.00 0.00 N ATOM 28 NH2 ARG A 2 5.754 6.353 7.988 1.00 0.00 N ATOM 0 H ARG A 2 11.217 5.276 2.623 1.00 0.00 H new ATOM 0 HA ARG A 2 9.166 3.127 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.007 3.943 4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.665 4.086 4.942 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.520 6.499 3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 2 7.789 6.251 3.992 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.673 6.019 6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.860 7.506 5.913 1.00 0.00 H new ATOM 0 HE ARG A 2 7.256 5.041 6.510 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.288 8.275 7.499 1.00 0.00 H new ATOM 0 HH12 ARG A 2 6.867 8.539 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 2 5.387 5.441 7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 2 5.232 6.941 8.638 1.00 0.00 H new ATOM 42 N TYR A 3 7.580 4.597 1.305 1.00 0.00 N ATOM 43 CA TYR A 3 6.993 5.115 0.081 1.00 0.00 C ATOM 44 C TYR A 3 5.498 5.311 0.292 1.00 0.00 C ATOM 45 O TYR A 3 4.791 4.337 0.567 1.00 0.00 O ATOM 46 CB TYR A 3 7.281 4.152 -1.076 1.00 0.00 C ATOM 47 CG TYR A 3 8.697 3.590 -1.106 1.00 0.00 C ATOM 48 CD1 TYR A 3 9.727 4.264 -1.789 1.00 0.00 C ATOM 49 CD2 TYR A 3 8.978 2.388 -0.427 1.00 0.00 C ATOM 50 CE1 TYR A 3 11.017 3.700 -1.853 1.00 0.00 C ATOM 51 CE2 TYR A 3 10.274 1.846 -0.449 1.00 0.00 C ATOM 52 CZ TYR A 3 11.293 2.480 -1.190 1.00 0.00 C ATOM 53 OH TYR A 3 12.519 1.893 -1.269 1.00 0.00 O ATOM 0 H TYR A 3 6.999 3.920 1.799 1.00 0.00 H new ATOM 0 HA TYR A 3 7.432 6.079 -0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.577 3.321 -1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.091 4.670 -2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.529 5.213 -2.264 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.193 1.880 0.113 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.797 4.200 -2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.490 0.943 0.102 1.00 0.00 H new ATOM 0 HH TYR A 3 12.518 1.063 -0.748 1.00 0.00 H new ATOM 63 N VAL A 4 5.022 6.555 0.214 1.00 0.00 N ATOM 64 CA VAL A 4 3.620 6.910 0.348 1.00 0.00 C ATOM 65 C VAL A 4 2.936 6.737 -1.008 1.00 0.00 C ATOM 66 O VAL A 4 3.166 7.510 -1.936 1.00 0.00 O ATOM 67 CB VAL A 4 3.451 8.304 0.990 1.00 0.00 C ATOM 68 CG1 VAL A 4 3.960 9.498 0.168 1.00 0.00 C ATOM 69 CG2 VAL A 4 1.976 8.525 1.348 1.00 0.00 C ATOM 0 H VAL A 4 5.624 7.362 0.051 1.00 0.00 H new ATOM 0 HA VAL A 4 3.117 6.238 1.043 1.00 0.00 H new ATOM 0 HB VAL A 4 4.091 8.281 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.787 10.421 0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.027 9.382 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.427 9.539 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.855 9.509 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.369 8.465 0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.654 7.759 2.053 1.00 0.00 H new ATOM 79 N LEU A 5 2.116 5.701 -1.146 1.00 0.00 N ATOM 80 CA LEU A 5 1.326 5.401 -2.341 1.00 0.00 C ATOM 81 C LEU A 5 0.048 6.254 -2.320 1.00 0.00 C ATOM 82 O LEU A 5 -0.282 6.833 -1.280 1.00 0.00 O ATOM 83 CB LEU A 5 0.957 3.911 -2.350 1.00 0.00 C ATOM 84 CG LEU A 5 2.073 2.936 -1.934 1.00 0.00 C ATOM 85 CD1 LEU A 5 1.607 1.496 -2.163 1.00 0.00 C ATOM 86 CD2 LEU A 5 3.435 3.137 -2.608 1.00 0.00 C ATOM 0 H LEU A 5 1.976 5.019 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 5 1.904 5.630 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.107 3.764 -1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.626 3.645 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 5 2.246 3.152 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.398 0.806 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.716 1.303 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.375 1.352 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.139 2.393 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.327 3.026 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.809 4.135 -2.381 1.00 0.00 H new ATOM 98 N TYR A 6 -0.708 6.307 -3.414 1.00 0.00 N ATOM 99 CA TYR A 6 -1.998 6.990 -3.532 1.00 0.00 C ATOM 100 C TYR A 6 -2.951 6.060 -4.298 1.00 0.00 C ATOM 101 O TYR A 6 -2.842 5.889 -5.491 1.00 0.00 O ATOM 102 CB TYR A 6 -1.830 8.333 -4.245 1.00 0.00 C ATOM 103 CG TYR A 6 -3.101 9.157 -4.342 1.00 0.00 C ATOM 104 CD1 TYR A 6 -3.888 9.385 -3.196 1.00 0.00 C ATOM 105 CD2 TYR A 6 -3.481 9.733 -5.571 1.00 0.00 C ATOM 106 CE1 TYR A 6 -5.019 10.211 -3.262 1.00 0.00 C ATOM 107 CE2 TYR A 6 -4.572 10.619 -5.624 1.00 0.00 C ATOM 108 CZ TYR A 6 -5.345 10.872 -4.468 1.00 0.00 C ATOM 109 OH TYR A 6 -6.380 11.761 -4.517 1.00 0.00 O ATOM 0 H TYR A 6 -0.427 5.855 -4.284 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.411 7.206 -2.547 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.073 8.916 -3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -1.452 8.151 -5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -3.618 8.920 -2.259 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.935 9.494 -6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.642 10.342 -2.390 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.821 11.109 -6.554 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.460 12.121 -5.425 1.00 0.00 H new ATOM 119 N VAL A 7 -3.803 5.371 -3.576 1.00 0.00 N ATOM 120 CA VAL A 7 -4.754 4.315 -3.863 1.00 0.00 C ATOM 121 C VAL A 7 -6.143 4.758 -3.530 1.00 0.00 C ATOM 122 O VAL A 7 -6.564 4.576 -2.391 1.00 0.00 O ATOM 123 CB VAL A 7 -4.280 2.929 -3.378 1.00 0.00 C ATOM 124 CG1 VAL A 7 -3.491 3.128 -2.104 1.00 0.00 C ATOM 125 CG2 VAL A 7 -5.254 1.767 -3.585 1.00 0.00 C ATOM 0 H VAL A 7 -3.851 5.583 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.804 4.130 -4.936 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.558 2.466 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.142 2.163 -1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.634 3.771 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.127 3.594 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.809 0.847 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.181 1.970 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.466 1.655 -4.648 1.00 0.00 H new ATOM 135 N PRO A 8 -6.863 5.437 -4.440 1.00 0.00 N ATOM 136 CA PRO A 8 -8.208 5.873 -4.173 1.00 0.00 C ATOM 137 C PRO A 8 -9.175 4.719 -3.901 1.00 0.00 C ATOM 138 O PRO A 8 -10.219 4.944 -3.295 1.00 0.00 O ATOM 139 CB PRO A 8 -8.635 6.726 -5.377 1.00 0.00 C ATOM 140 CG PRO A 8 -7.732 6.255 -6.501 1.00 0.00 C ATOM 141 CD PRO A 8 -6.460 5.724 -5.816 1.00 0.00 C ATOM 0 HA PRO A 8 -8.237 6.457 -3.253 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.687 6.575 -5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.504 7.790 -5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.214 5.475 -7.090 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.498 7.072 -7.184 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.088 4.828 -6.313 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.658 6.461 -5.847 1.00 0.00 H new ATOM 149 N ASP A 9 -8.813 3.492 -4.267 1.00 0.00 N ATOM 150 CA ASP A 9 -9.589 2.266 -4.111 1.00 0.00 C ATOM 151 C ASP A 9 -9.764 1.918 -2.638 1.00 0.00 C ATOM 152 O ASP A 9 -10.692 1.200 -2.266 1.00 0.00 O ATOM 153 CB ASP A 9 -8.850 1.107 -4.817 1.00 0.00 C ATOM 154 CG ASP A 9 -8.380 1.491 -6.213 1.00 0.00 C ATOM 155 OD1 ASP A 9 -7.249 2.027 -6.282 1.00 0.00 O ATOM 156 OD2 ASP A 9 -9.167 1.371 -7.180 1.00 0.00 O ATOM 0 H ASP A 9 -7.911 3.317 -4.709 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.573 2.418 -4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.992 0.806 -4.216 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.511 0.243 -4.883 1.00 0.00 H new ATOM 161 N ILE A 10 -8.887 2.446 -1.778 1.00 0.00 N ATOM 162 CA ILE A 10 -8.922 2.246 -0.338 1.00 0.00 C ATOM 163 C ILE A 10 -9.954 3.185 0.312 1.00 0.00 C ATOM 164 O ILE A 10 -9.941 3.417 1.511 1.00 0.00 O ATOM 165 CB ILE A 10 -7.545 2.301 0.294 1.00 0.00 C ATOM 166 CG1 ILE A 10 -6.441 1.842 -0.658 1.00 0.00 C ATOM 167 CG2 ILE A 10 -7.516 1.520 1.624 1.00 0.00 C ATOM 168 CD1 ILE A 10 -5.155 1.518 -0.004 1.00 0.00 C ATOM 0 H ILE A 10 -8.114 3.040 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.262 1.229 -0.142 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.337 3.348 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.789 0.962 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.270 2.624 -1.398 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.517 1.575 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.236 1.955 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -7.774 0.477 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.433 1.202 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.777 2.400 0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.305 0.712 0.715 1.00 0.00 H new ATOM 180 N SER A 11 -10.891 3.725 -0.467 1.00 0.00 N ATOM 181 CA SER A 11 -11.907 4.657 -0.003 1.00 0.00 C ATOM 182 C SER A 11 -12.737 4.069 1.156 1.00 0.00 C ATOM 183 O SER A 11 -13.105 4.804 2.076 1.00 0.00 O ATOM 184 CB SER A 11 -12.782 5.144 -1.175 1.00 0.00 C ATOM 185 OG SER A 11 -12.966 6.552 -1.098 1.00 0.00 O ATOM 0 H SER A 11 -10.962 3.518 -1.463 1.00 0.00 H new ATOM 0 HA SER A 11 -11.402 5.533 0.403 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.311 4.883 -2.123 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.749 4.642 -1.150 1.00 0.00 H new ATOM 0 HG SER A 11 -13.522 6.851 -1.848 1.00 0.00 H new ATOM 191 N CYS A 12 -12.974 2.751 1.161 1.00 0.00 N ATOM 192 CA CYS A 12 -13.689 2.028 2.213 1.00 0.00 C ATOM 193 C CYS A 12 -12.747 1.180 3.071 1.00 0.00 C ATOM 194 O CYS A 12 -11.691 0.740 2.624 1.00 0.00 O ATOM 195 CB CYS A 12 -14.776 1.146 1.584 1.00 0.00 C ATOM 196 SG CYS A 12 -16.272 2.103 1.215 1.00 0.00 S ATOM 0 H CYS A 12 -12.661 2.141 0.406 1.00 0.00 H new ATOM 0 HA CYS A 12 -14.148 2.764 2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -14.396 0.695 0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -15.023 0.330 2.263 1.00 0.00 H new ATOM 0 HG CYS A 12 -17.166 1.323 0.683 1.00 0.00 H new ATOM 202 N ASN A 13 -13.152 0.876 4.310 1.00 0.00 N ATOM 203 CA ASN A 13 -12.255 0.226 5.281 1.00 0.00 C ATOM 204 C ASN A 13 -12.042 -1.263 4.980 1.00 0.00 C ATOM 205 O ASN A 13 -10.971 -1.807 5.251 1.00 0.00 O ATOM 206 CB ASN A 13 -12.742 0.450 6.727 1.00 0.00 C ATOM 207 CG ASN A 13 -11.559 0.429 7.694 1.00 0.00 C ATOM 208 OD1 ASN A 13 -10.979 -0.609 7.963 1.00 0.00 O ATOM 209 ND2 ASN A 13 -11.155 1.573 8.221 1.00 0.00 N ATOM 0 H ASN A 13 -14.089 1.067 4.665 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.280 0.703 5.179 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.262 1.405 6.799 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.458 -0.325 7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.356 1.589 8.855 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.643 2.440 7.994 1.00 0.00 H new ATOM 216 N HIS A 14 -13.007 -1.911 4.315 1.00 0.00 N ATOM 217 CA HIS A 14 -12.820 -3.259 3.762 1.00 0.00 C ATOM 218 C HIS A 14 -11.612 -3.283 2.838 1.00 0.00 C ATOM 219 O HIS A 14 -10.806 -4.212 2.873 1.00 0.00 O ATOM 220 CB HIS A 14 -14.069 -3.689 2.971 1.00 0.00 C ATOM 221 CG HIS A 14 -13.904 -5.055 2.348 1.00 0.00 C ATOM 222 ND1 HIS A 14 -13.358 -5.350 1.113 1.00 0.00 N ATOM 223 CD2 HIS A 14 -14.215 -6.236 2.958 1.00 0.00 C ATOM 224 CE1 HIS A 14 -13.338 -6.686 0.983 1.00 0.00 C ATOM 225 NE2 HIS A 14 -13.844 -7.274 2.088 1.00 0.00 N ATOM 0 H HIS A 14 -13.933 -1.519 4.146 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.660 -3.950 4.589 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -14.934 -3.696 3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -14.273 -2.957 2.190 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -14.665 -6.351 3.933 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -12.969 -7.216 0.117 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -13.938 -8.275 2.258 1.00 0.00 H new ATOM 233 N CYS A 15 -11.492 -2.249 2.005 1.00 0.00 N ATOM 234 CA CYS A 15 -10.460 -2.151 1.001 1.00 0.00 C ATOM 235 C CYS A 15 -9.093 -2.159 1.677 1.00 0.00 C ATOM 236 O CYS A 15 -8.211 -2.854 1.195 1.00 0.00 O ATOM 237 CB CYS A 15 -10.744 -0.954 0.128 1.00 0.00 C ATOM 238 SG CYS A 15 -12.453 -1.093 -0.453 1.00 0.00 S ATOM 0 H CYS A 15 -12.125 -1.449 2.018 1.00 0.00 H new ATOM 0 HA CYS A 15 -10.452 -3.011 0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.604 -0.030 0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.054 -0.923 -0.715 1.00 0.00 H new ATOM 0 HG CYS A 15 -12.738 -0.075 -1.210 1.00 0.00 H new ATOM 244 N LYS A 16 -8.908 -1.507 2.836 1.00 0.00 N ATOM 245 CA LYS A 16 -7.641 -1.575 3.583 1.00 0.00 C ATOM 246 C LYS A 16 -7.173 -3.005 3.800 1.00 0.00 C ATOM 247 O LYS A 16 -6.018 -3.297 3.499 1.00 0.00 O ATOM 248 CB LYS A 16 -7.734 -0.771 4.885 1.00 0.00 C ATOM 249 CG LYS A 16 -6.767 -1.158 6.017 1.00 0.00 C ATOM 250 CD LYS A 16 -6.849 -0.104 7.135 1.00 0.00 C ATOM 251 CE LYS A 16 -6.063 -0.442 8.407 1.00 0.00 C ATOM 252 NZ LYS A 16 -6.575 -1.669 9.055 1.00 0.00 N ATOM 0 H LYS A 16 -9.621 -0.926 3.277 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.868 -1.109 2.972 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.572 0.280 4.646 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.752 -0.858 5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.023 -2.142 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.748 -1.222 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.486 0.847 6.744 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.896 0.040 7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.009 -0.573 8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.125 0.392 9.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.101 -1.802 9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.600 -1.580 9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.384 -2.489 8.445 1.00 0.00 H new ATOM 266 N MET A 17 -8.055 -3.898 4.256 1.00 0.00 N ATOM 267 CA MET A 17 -7.690 -5.293 4.465 1.00 0.00 C ATOM 268 C MET A 17 -7.092 -5.914 3.205 1.00 0.00 C ATOM 269 O MET A 17 -6.130 -6.671 3.326 1.00 0.00 O ATOM 270 CB MET A 17 -8.880 -6.118 4.937 1.00 0.00 C ATOM 271 CG MET A 17 -9.223 -5.918 6.415 1.00 0.00 C ATOM 272 SD MET A 17 -10.860 -6.552 6.881 1.00 0.00 S ATOM 273 CE MET A 17 -10.744 -8.251 6.272 1.00 0.00 C ATOM 0 H MET A 17 -9.024 -3.676 4.486 1.00 0.00 H new ATOM 0 HA MET A 17 -6.930 -5.304 5.247 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.751 -5.861 4.334 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.671 -7.173 4.762 1.00 0.00 H new ATOM 0 HG2 MET A 17 -8.466 -6.412 7.024 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.176 -4.854 6.648 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.576 -8.836 6.664 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.782 -8.250 5.183 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.804 -8.692 6.602 1.00 0.00 H new ATOM 283 N ARG A 18 -7.608 -5.588 2.009 1.00 0.00 N ATOM 284 CA ARG A 18 -7.112 -6.167 0.762 1.00 0.00 C ATOM 285 C ARG A 18 -5.610 -5.939 0.640 1.00 0.00 C ATOM 286 O ARG A 18 -4.873 -6.897 0.396 1.00 0.00 O ATOM 287 CB ARG A 18 -7.880 -5.605 -0.456 1.00 0.00 C ATOM 288 CG ARG A 18 -9.364 -6.002 -0.433 1.00 0.00 C ATOM 289 CD ARG A 18 -9.786 -6.616 -1.773 1.00 0.00 C ATOM 290 NE ARG A 18 -11.037 -7.386 -1.712 1.00 0.00 N ATOM 291 CZ ARG A 18 -11.121 -8.714 -1.575 1.00 0.00 C ATOM 292 NH1 ARG A 18 -10.099 -9.429 -1.116 1.00 0.00 N ATOM 293 NH2 ARG A 18 -12.251 -9.345 -1.874 1.00 0.00 N ATOM 0 H ARG A 18 -8.372 -4.923 1.885 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.289 -7.242 0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.795 -4.518 -0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.421 -5.971 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.541 -6.716 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.976 -5.125 -0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.898 -5.818 -2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.988 -7.267 -2.130 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.912 -6.865 -1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.227 -8.966 -0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.187 -10.441 -1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.057 -8.817 -2.209 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.313 -10.358 -1.769 1.00 0.00 H new ATOM 307 N ILE A 19 -5.176 -4.698 0.878 1.00 0.00 N ATOM 308 CA ILE A 19 -3.778 -4.305 0.883 1.00 0.00 C ATOM 309 C ILE A 19 -3.066 -5.054 2.003 1.00 0.00 C ATOM 310 O ILE A 19 -2.139 -5.804 1.720 1.00 0.00 O ATOM 311 CB ILE A 19 -3.596 -2.777 0.998 1.00 0.00 C ATOM 312 CG1 ILE A 19 -4.248 -2.054 -0.188 1.00 0.00 C ATOM 313 CG2 ILE A 19 -2.104 -2.427 0.980 1.00 0.00 C ATOM 314 CD1 ILE A 19 -5.724 -1.773 0.030 1.00 0.00 C ATOM 0 H ILE A 19 -5.810 -3.924 1.077 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.330 -4.576 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.063 -2.461 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.727 -1.113 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.127 -2.659 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.983 -1.347 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.606 -2.912 1.819 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.660 -2.772 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.130 -1.260 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.255 -2.713 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.848 -1.143 0.911 1.00 0.00 H new ATOM 326 N SER A 20 -3.459 -4.871 3.271 1.00 0.00 N ATOM 327 CA SER A 20 -2.659 -5.313 4.394 1.00 0.00 C ATOM 328 C SER A 20 -2.405 -6.805 4.343 1.00 0.00 C ATOM 329 O SER A 20 -1.289 -7.217 4.632 1.00 0.00 O ATOM 330 CB SER A 20 -3.342 -5.013 5.720 1.00 0.00 C ATOM 331 OG SER A 20 -4.150 -3.854 5.690 1.00 0.00 O ATOM 0 H SER A 20 -4.333 -4.416 3.533 1.00 0.00 H new ATOM 0 HA SER A 20 -1.718 -4.768 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.957 -5.867 6.004 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.582 -4.896 6.493 1.00 0.00 H new ATOM 0 HG SER A 20 -4.560 -3.718 6.570 1.00 0.00 H new ATOM 337 N LYS A 21 -3.410 -7.608 3.963 1.00 0.00 N ATOM 338 CA LYS A 21 -3.223 -9.047 3.832 1.00 0.00 C ATOM 339 C LYS A 21 -2.006 -9.295 2.942 1.00 0.00 C ATOM 340 O LYS A 21 -1.046 -9.947 3.347 1.00 0.00 O ATOM 341 CB LYS A 21 -4.454 -9.693 3.164 1.00 0.00 C ATOM 342 CG LYS A 21 -5.733 -9.800 3.993 1.00 0.00 C ATOM 343 CD LYS A 21 -5.609 -10.694 5.222 1.00 0.00 C ATOM 344 CE LYS A 21 -6.993 -10.678 5.868 1.00 0.00 C ATOM 345 NZ LYS A 21 -6.981 -11.189 7.245 1.00 0.00 N ATOM 0 H LYS A 21 -4.351 -7.281 3.744 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.084 -9.482 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.684 -9.125 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.175 -10.697 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.030 -8.801 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.533 -10.182 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.315 -11.706 4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.850 -10.318 5.908 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.379 -9.658 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.677 -11.278 5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.944 -11.156 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.640 -12.171 7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.351 -10.602 7.828 1.00 0.00 H new ATOM 359 N ALA A 22 -2.068 -8.686 1.758 1.00 0.00 N ATOM 360 CA ALA A 22 -1.102 -8.817 0.697 1.00 0.00 C ATOM 361 C ALA A 22 0.255 -8.212 1.061 1.00 0.00 C ATOM 362 O ALA A 22 1.242 -8.580 0.432 1.00 0.00 O ATOM 363 CB ALA A 22 -1.662 -8.157 -0.561 1.00 0.00 C ATOM 0 H ALA A 22 -2.835 -8.060 1.513 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.929 -9.879 0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.940 -8.249 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.593 -8.648 -0.846 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.854 -7.102 -0.364 1.00 0.00 H new ATOM 369 N LEU A 23 0.331 -7.304 2.046 1.00 0.00 N ATOM 370 CA LEU A 23 1.569 -6.722 2.546 1.00 0.00 C ATOM 371 C LEU A 23 2.204 -7.606 3.604 1.00 0.00 C ATOM 372 O LEU A 23 3.415 -7.780 3.577 1.00 0.00 O ATOM 373 CB LEU A 23 1.327 -5.347 3.177 1.00 0.00 C ATOM 374 CG LEU A 23 0.894 -4.247 2.201 1.00 0.00 C ATOM 375 CD1 LEU A 23 0.804 -2.934 2.978 1.00 0.00 C ATOM 376 CD2 LEU A 23 1.820 -4.081 0.994 1.00 0.00 C ATOM 0 H LEU A 23 -0.496 -6.949 2.526 1.00 0.00 H new ATOM 0 HA LEU A 23 2.232 -6.627 1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.563 -5.448 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.242 -5.028 3.676 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.071 -4.538 1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.497 -2.133 2.305 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.072 -3.035 3.779 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.779 -2.696 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.443 -3.284 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.823 -3.828 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.854 -5.013 0.431 1.00 0.00 H new ATOM 388 N GLU A 24 1.431 -8.117 4.564 1.00 0.00 N ATOM 389 CA GLU A 24 1.963 -8.913 5.666 1.00 0.00 C ATOM 390 C GLU A 24 2.676 -10.143 5.124 1.00 0.00 C ATOM 391 O GLU A 24 3.780 -10.465 5.554 1.00 0.00 O ATOM 392 CB GLU A 24 0.853 -9.294 6.668 1.00 0.00 C ATOM 393 CG GLU A 24 0.412 -8.057 7.457 1.00 0.00 C ATOM 394 CD GLU A 24 -0.383 -8.329 8.739 1.00 0.00 C ATOM 395 OE1 GLU A 24 -1.154 -9.315 8.845 1.00 0.00 O ATOM 396 OE2 GLU A 24 -0.319 -7.442 9.625 1.00 0.00 O ATOM 0 H GLU A 24 0.420 -7.989 4.597 1.00 0.00 H new ATOM 0 HA GLU A 24 2.690 -8.311 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.002 -9.719 6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.217 -10.061 7.352 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.300 -7.481 7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.194 -7.430 6.803 1.00 0.00 H new ATOM 403 N GLU A 25 2.069 -10.820 4.152 1.00 0.00 N ATOM 404 CA GLU A 25 2.713 -11.928 3.446 1.00 0.00 C ATOM 405 C GLU A 25 3.985 -11.482 2.743 1.00 0.00 C ATOM 406 O GLU A 25 4.957 -12.232 2.697 1.00 0.00 O ATOM 407 CB GLU A 25 1.732 -12.546 2.439 1.00 0.00 C ATOM 408 CG GLU A 25 1.244 -11.617 1.319 1.00 0.00 C ATOM 409 CD GLU A 25 0.163 -12.199 0.388 1.00 0.00 C ATOM 410 OE1 GLU A 25 -0.981 -12.442 0.842 1.00 0.00 O ATOM 411 OE2 GLU A 25 0.416 -12.283 -0.841 1.00 0.00 O ATOM 0 H GLU A 25 1.122 -10.618 3.832 1.00 0.00 H new ATOM 0 HA GLU A 25 2.994 -12.680 4.183 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.209 -13.413 1.983 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.863 -12.911 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.854 -10.706 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.102 -11.329 0.712 1.00 0.00 H new ATOM 418 N LEU A 26 3.998 -10.243 2.252 1.00 0.00 N ATOM 419 CA LEU A 26 5.029 -9.707 1.376 1.00 0.00 C ATOM 420 C LEU A 26 6.388 -9.569 2.071 1.00 0.00 C ATOM 421 O LEU A 26 7.350 -9.093 1.477 1.00 0.00 O ATOM 422 CB LEU A 26 4.572 -8.343 0.817 1.00 0.00 C ATOM 423 CG LEU A 26 4.804 -8.052 -0.679 1.00 0.00 C ATOM 424 CD1 LEU A 26 3.937 -6.850 -1.058 1.00 0.00 C ATOM 425 CD2 LEU A 26 6.233 -7.719 -1.110 1.00 0.00 C ATOM 0 H LEU A 26 3.265 -9.566 2.463 1.00 0.00 H new ATOM 0 HA LEU A 26 5.167 -10.418 0.562 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.504 -8.244 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.075 -7.564 1.389 1.00 0.00 H new ATOM 0 HG LEU A 26 4.555 -8.985 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.079 -6.618 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.889 -7.086 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.225 -5.989 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.256 -7.536 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.574 -6.828 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.890 -8.555 -0.870 1.00 0.00 H new ATOM 437 N GLY A 27 6.470 -9.929 3.352 1.00 0.00 N ATOM 438 CA GLY A 27 7.689 -9.829 4.124 1.00 0.00 C ATOM 439 C GLY A 27 7.945 -8.404 4.599 1.00 0.00 C ATOM 440 O GLY A 27 9.080 -8.080 4.956 1.00 0.00 O ATOM 0 H GLY A 27 5.680 -10.300 3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.629 -10.494 4.986 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.531 -10.167 3.519 1.00 0.00 H new ATOM 444 N VAL A 28 6.917 -7.548 4.574 1.00 0.00 N ATOM 445 CA VAL A 28 6.959 -6.253 5.223 1.00 0.00 C ATOM 446 C VAL A 28 7.099 -6.484 6.728 1.00 0.00 C ATOM 447 O VAL A 28 6.668 -7.519 7.252 1.00 0.00 O ATOM 448 CB VAL A 28 5.668 -5.474 4.876 1.00 0.00 C ATOM 449 CG1 VAL A 28 4.480 -5.920 5.737 1.00 0.00 C ATOM 450 CG2 VAL A 28 5.847 -3.957 5.002 1.00 0.00 C ATOM 0 H VAL A 28 6.035 -7.744 4.100 1.00 0.00 H new ATOM 0 HA VAL A 28 7.806 -5.659 4.880 1.00 0.00 H new ATOM 0 HB VAL A 28 5.456 -5.709 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.595 -5.347 5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.291 -6.981 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.708 -5.749 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.912 -3.458 4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.125 -3.707 6.026 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.632 -3.626 4.322 1.00 0.00 H new ATOM 460 N LYS A 29 7.557 -5.448 7.429 1.00 0.00 N ATOM 461 CA LYS A 29 7.482 -5.383 8.885 1.00 0.00 C ATOM 462 C LYS A 29 7.028 -4.027 9.407 1.00 0.00 C ATOM 463 O LYS A 29 6.738 -3.898 10.598 1.00 0.00 O ATOM 464 CB LYS A 29 8.852 -5.802 9.444 1.00 0.00 C ATOM 465 CG LYS A 29 8.781 -7.172 10.127 1.00 0.00 C ATOM 466 CD LYS A 29 8.994 -7.028 11.630 1.00 0.00 C ATOM 467 CE LYS A 29 8.344 -8.173 12.395 1.00 0.00 C ATOM 468 NZ LYS A 29 9.002 -8.335 13.709 1.00 0.00 N ATOM 0 H LYS A 29 7.991 -4.630 7.002 1.00 0.00 H new ATOM 0 HA LYS A 29 6.711 -6.070 9.234 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.582 -5.834 8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.199 -5.055 10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.812 -7.632 9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.538 -7.834 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.062 -7.003 11.847 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.578 -6.079 11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.281 -7.974 12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.424 -9.097 11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.555 -9.118 14.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.011 -8.545 13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.904 -7.457 14.257 1.00 0.00 H new ATOM 482 N ASN A 30 6.909 -3.032 8.527 1.00 0.00 N ATOM 483 CA ASN A 30 6.649 -1.651 8.878 1.00 0.00 C ATOM 484 C ASN A 30 5.806 -1.075 7.754 1.00 0.00 C ATOM 485 O ASN A 30 6.319 -0.790 6.674 1.00 0.00 O ATOM 486 CB ASN A 30 7.977 -0.894 9.019 1.00 0.00 C ATOM 487 CG ASN A 30 8.575 -1.048 10.395 1.00 0.00 C ATOM 488 OD1 ASN A 30 9.427 -1.904 10.610 1.00 0.00 O ATOM 489 ND2 ASN A 30 8.094 -0.271 11.349 1.00 0.00 N ATOM 0 H ASN A 30 6.995 -3.178 7.521 1.00 0.00 H new ATOM 0 HA ASN A 30 6.126 -1.564 9.830 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.683 -1.260 8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.815 0.164 8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.431 -0.371 12.307 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.386 0.429 11.128 1.00 0.00 H new ATOM 496 N TYR A 31 4.500 -0.965 7.958 1.00 0.00 N ATOM 497 CA TYR A 31 3.583 -0.348 7.017 1.00 0.00 C ATOM 498 C TYR A 31 2.420 0.271 7.780 1.00 0.00 C ATOM 499 O TYR A 31 2.294 0.055 8.989 1.00 0.00 O ATOM 500 CB TYR A 31 3.094 -1.382 6.000 1.00 0.00 C ATOM 501 CG TYR A 31 2.138 -2.428 6.550 1.00 0.00 C ATOM 502 CD1 TYR A 31 2.601 -3.499 7.340 1.00 0.00 C ATOM 503 CD2 TYR A 31 0.761 -2.293 6.296 1.00 0.00 C ATOM 504 CE1 TYR A 31 1.689 -4.412 7.901 1.00 0.00 C ATOM 505 CE2 TYR A 31 -0.154 -3.203 6.842 1.00 0.00 C ATOM 506 CZ TYR A 31 0.304 -4.257 7.663 1.00 0.00 C ATOM 507 OH TYR A 31 -0.603 -5.097 8.226 1.00 0.00 O ATOM 0 H TYR A 31 4.042 -1.311 8.801 1.00 0.00 H new ATOM 0 HA TYR A 31 4.096 0.440 6.466 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.602 -0.858 5.181 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.961 -1.891 5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.660 -3.620 7.516 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.407 -1.483 5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.046 -5.228 8.511 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.209 -3.098 6.635 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.139 -5.741 8.801 1.00 0.00 H new ATOM 517 N GLU A 32 1.592 1.033 7.068 1.00 0.00 N ATOM 518 CA GLU A 32 0.331 1.625 7.501 1.00 0.00 C ATOM 519 C GLU A 32 -0.547 1.810 6.260 1.00 0.00 C ATOM 520 O GLU A 32 -0.030 2.084 5.179 1.00 0.00 O ATOM 521 CB GLU A 32 0.582 2.997 8.150 1.00 0.00 C ATOM 522 CG GLU A 32 1.003 2.866 9.617 1.00 0.00 C ATOM 523 CD GLU A 32 0.092 3.649 10.553 1.00 0.00 C ATOM 524 OE1 GLU A 32 -0.955 3.089 10.962 1.00 0.00 O ATOM 525 OE2 GLU A 32 0.461 4.787 10.901 1.00 0.00 O ATOM 0 H GLU A 32 1.803 1.270 6.099 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.154 0.978 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.358 3.525 7.595 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.323 3.601 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.995 1.814 9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.028 3.220 9.731 1.00 0.00 H new ATOM 532 N VAL A 33 -1.866 1.707 6.400 1.00 0.00 N ATOM 533 CA VAL A 33 -2.870 1.870 5.360 1.00 0.00 C ATOM 534 C VAL A 33 -3.887 2.863 5.932 1.00 0.00 C ATOM 535 O VAL A 33 -4.558 2.554 6.914 1.00 0.00 O ATOM 536 CB VAL A 33 -3.532 0.508 5.038 1.00 0.00 C ATOM 537 CG1 VAL A 33 -4.630 0.673 3.974 1.00 0.00 C ATOM 538 CG2 VAL A 33 -2.589 -0.610 4.564 1.00 0.00 C ATOM 0 H VAL A 33 -2.287 1.493 7.304 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.444 2.235 4.425 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.930 0.192 6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.081 -0.297 3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.395 1.357 4.343 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.193 1.076 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.166 -1.514 4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.085 -0.297 3.650 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.847 -0.812 5.336 1.00 0.00 H new ATOM 548 N SER A 34 -4.004 4.052 5.350 1.00 0.00 N ATOM 549 CA SER A 34 -4.877 5.118 5.815 1.00 0.00 C ATOM 550 C SER A 34 -6.057 5.193 4.846 1.00 0.00 C ATOM 551 O SER A 34 -5.909 5.674 3.720 1.00 0.00 O ATOM 552 CB SER A 34 -4.066 6.419 5.887 1.00 0.00 C ATOM 553 OG SER A 34 -4.683 7.378 6.726 1.00 0.00 O ATOM 0 H SER A 34 -3.476 4.306 4.515 1.00 0.00 H new ATOM 0 HA SER A 34 -5.271 4.937 6.815 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.064 6.203 6.258 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.952 6.832 4.885 1.00 0.00 H new ATOM 0 HG SER A 34 -4.138 8.192 6.749 1.00 0.00 H new ATOM 559 N VAL A 35 -7.210 4.668 5.264 1.00 0.00 N ATOM 560 CA VAL A 35 -8.428 4.552 4.463 1.00 0.00 C ATOM 561 C VAL A 35 -8.951 5.938 4.109 1.00 0.00 C ATOM 562 O VAL A 35 -9.206 6.221 2.938 1.00 0.00 O ATOM 563 CB VAL A 35 -9.462 3.715 5.252 1.00 0.00 C ATOM 564 CG1 VAL A 35 -10.899 3.738 4.713 1.00 0.00 C ATOM 565 CG2 VAL A 35 -9.004 2.261 5.312 1.00 0.00 C ATOM 0 H VAL A 35 -7.324 4.298 6.207 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.224 4.041 3.522 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.501 4.189 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.534 3.117 5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.273 4.762 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.912 3.351 3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.734 1.672 5.868 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.914 1.866 4.300 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.036 2.205 5.811 1.00 0.00 H new ATOM 575 N GLU A 36 -9.086 6.816 5.105 1.00 0.00 N ATOM 576 CA GLU A 36 -9.616 8.162 4.903 1.00 0.00 C ATOM 577 C GLU A 36 -8.740 8.909 3.898 1.00 0.00 C ATOM 578 O GLU A 36 -9.258 9.590 3.011 1.00 0.00 O ATOM 579 CB GLU A 36 -9.676 8.898 6.249 1.00 0.00 C ATOM 580 CG GLU A 36 -10.847 8.426 7.121 1.00 0.00 C ATOM 581 CD GLU A 36 -10.577 8.677 8.597 1.00 0.00 C ATOM 582 OE1 GLU A 36 -10.182 9.812 8.947 1.00 0.00 O ATOM 583 OE2 GLU A 36 -10.736 7.726 9.398 1.00 0.00 O ATOM 0 H GLU A 36 -8.831 6.613 6.071 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.627 8.109 4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.741 8.743 6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.768 9.969 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.757 8.946 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.019 7.362 6.957 1.00 0.00 H new ATOM 590 N GLU A 37 -7.414 8.779 4.018 1.00 0.00 N ATOM 591 CA GLU A 37 -6.502 9.473 3.124 1.00 0.00 C ATOM 592 C GLU A 37 -6.267 8.743 1.795 1.00 0.00 C ATOM 593 O GLU A 37 -5.692 9.357 0.889 1.00 0.00 O ATOM 594 CB GLU A 37 -5.175 9.783 3.824 1.00 0.00 C ATOM 595 CG GLU A 37 -5.337 10.814 4.960 1.00 0.00 C ATOM 596 CD GLU A 37 -4.068 11.603 5.298 1.00 0.00 C ATOM 597 OE1 GLU A 37 -3.097 11.607 4.508 1.00 0.00 O ATOM 598 OE2 GLU A 37 -4.012 12.185 6.411 1.00 0.00 O ATOM 0 H GLU A 37 -6.958 8.201 4.724 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.992 10.412 2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.757 8.862 4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.461 10.161 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.122 11.517 4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.675 10.295 5.857 1.00 0.00 H new ATOM 605 N LYS A 38 -6.714 7.482 1.637 1.00 0.00 N ATOM 606 CA LYS A 38 -6.449 6.673 0.433 1.00 0.00 C ATOM 607 C LYS A 38 -4.949 6.579 0.138 1.00 0.00 C ATOM 608 O LYS A 38 -4.502 6.570 -1.013 1.00 0.00 O ATOM 609 CB LYS A 38 -7.267 7.261 -0.733 1.00 0.00 C ATOM 610 CG LYS A 38 -8.753 6.926 -0.604 1.00 0.00 C ATOM 611 CD LYS A 38 -9.591 7.948 -1.374 1.00 0.00 C ATOM 612 CE LYS A 38 -9.936 9.138 -0.470 1.00 0.00 C ATOM 613 NZ LYS A 38 -10.524 10.266 -1.220 1.00 0.00 N ATOM 0 H LYS A 38 -7.269 6.996 2.341 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.768 5.643 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.138 8.343 -0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.887 6.872 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.943 5.924 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.043 6.924 0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.042 8.294 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.506 7.480 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.636 8.814 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.034 9.476 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.739 11.044 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.848 10.595 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.400 9.954 -1.686 1.00 0.00 H new ATOM 627 N LYS A 39 -4.136 6.502 1.192 1.00 0.00 N ATOM 628 CA LYS A 39 -2.689 6.383 1.077 1.00 0.00 C ATOM 629 C LYS A 39 -2.225 5.225 1.925 1.00 0.00 C ATOM 630 O LYS A 39 -2.798 4.940 2.974 1.00 0.00 O ATOM 631 CB LYS A 39 -1.980 7.695 1.460 1.00 0.00 C ATOM 632 CG LYS A 39 -2.297 8.781 0.424 1.00 0.00 C ATOM 633 CD LYS A 39 -1.435 10.038 0.491 1.00 0.00 C ATOM 634 CE LYS A 39 -1.555 10.789 1.816 1.00 0.00 C ATOM 635 NZ LYS A 39 -1.046 12.167 1.693 1.00 0.00 N ATOM 0 H LYS A 39 -4.470 6.521 2.156 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.426 6.189 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.304 8.018 2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.903 7.534 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.196 8.347 -0.571 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.341 9.073 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.392 9.763 0.331 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.717 10.706 -0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.598 10.810 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.998 10.260 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.139 12.654 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.044 12.144 1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.595 12.677 0.971 1.00 0.00 H new ATOM 649 N VAL A 40 -1.155 4.582 1.489 1.00 0.00 N ATOM 650 CA VAL A 40 -0.471 3.533 2.223 1.00 0.00 C ATOM 651 C VAL A 40 0.978 3.972 2.317 1.00 0.00 C ATOM 652 O VAL A 40 1.458 4.668 1.420 1.00 0.00 O ATOM 653 CB VAL A 40 -0.618 2.195 1.468 1.00 0.00 C ATOM 654 CG1 VAL A 40 -0.175 0.992 2.300 1.00 0.00 C ATOM 655 CG2 VAL A 40 -2.084 1.945 1.108 1.00 0.00 C ATOM 0 H VAL A 40 -0.726 4.783 0.586 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.886 3.378 3.219 1.00 0.00 H new ATOM 0 HB VAL A 40 0.015 2.287 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.301 0.080 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.874 1.105 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.781 0.932 3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.172 0.998 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.681 1.906 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.445 2.753 0.472 1.00 0.00 H new ATOM 665 N VAL A 41 1.675 3.549 3.363 1.00 0.00 N ATOM 666 CA VAL A 41 3.120 3.620 3.425 1.00 0.00 C ATOM 667 C VAL A 41 3.618 2.219 3.722 1.00 0.00 C ATOM 668 O VAL A 41 3.103 1.560 4.620 1.00 0.00 O ATOM 669 CB VAL A 41 3.613 4.631 4.472 1.00 0.00 C ATOM 670 CG1 VAL A 41 5.131 4.790 4.305 1.00 0.00 C ATOM 671 CG2 VAL A 41 2.949 6.008 4.320 1.00 0.00 C ATOM 0 H VAL A 41 1.246 3.145 4.196 1.00 0.00 H new ATOM 0 HA VAL A 41 3.517 3.979 2.475 1.00 0.00 H new ATOM 0 HB VAL A 41 3.351 4.251 5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.505 5.504 5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.617 3.826 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.351 5.153 3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.333 6.684 5.084 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.172 6.413 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.870 5.906 4.435 1.00 0.00 H new ATOM 681 N VAL A 42 4.632 1.779 2.986 1.00 0.00 N ATOM 682 CA VAL A 42 5.405 0.575 3.250 1.00 0.00 C ATOM 683 C VAL A 42 6.851 1.006 3.414 1.00 0.00 C ATOM 684 O VAL A 42 7.297 1.882 2.674 1.00 0.00 O ATOM 685 CB VAL A 42 5.235 -0.443 2.107 1.00 0.00 C ATOM 686 CG1 VAL A 42 3.837 -1.085 2.210 1.00 0.00 C ATOM 687 CG2 VAL A 42 5.527 0.160 0.711 1.00 0.00 C ATOM 0 H VAL A 42 4.950 2.274 2.153 1.00 0.00 H new ATOM 0 HA VAL A 42 5.060 0.075 4.155 1.00 0.00 H new ATOM 0 HB VAL A 42 5.985 -1.226 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.708 -1.807 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.739 -1.591 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.074 -0.311 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.390 -0.606 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.843 0.987 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.554 0.524 0.679 1.00 0.00 H new ATOM 697 N GLU A 43 7.543 0.425 4.384 1.00 0.00 N ATOM 698 CA GLU A 43 8.947 0.626 4.689 1.00 0.00 C ATOM 699 C GLU A 43 9.691 -0.627 4.173 1.00 0.00 C ATOM 700 O GLU A 43 9.710 -1.666 4.840 1.00 0.00 O ATOM 701 CB GLU A 43 9.047 0.852 6.212 1.00 0.00 C ATOM 702 CG GLU A 43 10.261 1.631 6.718 1.00 0.00 C ATOM 703 CD GLU A 43 10.402 1.547 8.249 1.00 0.00 C ATOM 704 OE1 GLU A 43 9.791 2.386 8.962 1.00 0.00 O ATOM 705 OE2 GLU A 43 11.148 0.674 8.745 1.00 0.00 O ATOM 0 H GLU A 43 7.107 -0.243 5.019 1.00 0.00 H new ATOM 0 HA GLU A 43 9.402 1.493 4.210 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.148 1.376 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.042 -0.122 6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.164 1.240 6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.172 2.675 6.419 1.00 0.00 H new ATOM 712 N THR A 44 10.212 -0.600 2.941 1.00 0.00 N ATOM 713 CA THR A 44 10.916 -1.726 2.328 1.00 0.00 C ATOM 714 C THR A 44 12.195 -1.261 1.602 1.00 0.00 C ATOM 715 O THR A 44 12.515 -0.071 1.560 1.00 0.00 O ATOM 716 CB THR A 44 9.903 -2.522 1.474 1.00 0.00 C ATOM 717 OG1 THR A 44 10.402 -3.778 1.052 1.00 0.00 O ATOM 718 CG2 THR A 44 9.429 -1.736 0.247 1.00 0.00 C ATOM 0 H THR A 44 10.154 0.218 2.335 1.00 0.00 H new ATOM 0 HA THR A 44 11.298 -2.418 3.079 1.00 0.00 H new ATOM 0 HB THR A 44 9.055 -2.693 2.137 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.721 -4.238 0.518 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.719 -2.339 -0.319 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.946 -0.814 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.285 -1.495 -0.384 1.00 0.00 H new ATOM 726 N GLU A 45 12.958 -2.202 1.036 1.00 0.00 N ATOM 727 CA GLU A 45 14.071 -1.914 0.133 1.00 0.00 C ATOM 728 C GLU A 45 13.654 -2.027 -1.332 1.00 0.00 C ATOM 729 O GLU A 45 14.383 -1.531 -2.190 1.00 0.00 O ATOM 730 CB GLU A 45 15.272 -2.837 0.415 1.00 0.00 C ATOM 731 CG GLU A 45 16.204 -2.215 1.458 1.00 0.00 C ATOM 732 CD GLU A 45 17.424 -3.077 1.799 1.00 0.00 C ATOM 733 OE1 GLU A 45 18.070 -3.629 0.881 1.00 0.00 O ATOM 734 OE2 GLU A 45 17.718 -3.136 3.019 1.00 0.00 O ATOM 0 H GLU A 45 12.815 -3.199 1.196 1.00 0.00 H new ATOM 0 HA GLU A 45 14.373 -0.884 0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.917 -3.805 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.822 -3.018 -0.509 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.547 -1.247 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.638 -2.028 2.370 1.00 0.00 H new ATOM 741 N ASN A 46 12.518 -2.659 -1.654 1.00 0.00 N ATOM 742 CA ASN A 46 12.074 -2.787 -3.037 1.00 0.00 C ATOM 743 C ASN A 46 10.622 -2.375 -3.171 1.00 0.00 C ATOM 744 O ASN A 46 9.714 -3.173 -2.936 1.00 0.00 O ATOM 745 CB ASN A 46 12.344 -4.185 -3.604 1.00 0.00 C ATOM 746 CG ASN A 46 12.066 -4.252 -5.107 1.00 0.00 C ATOM 747 OD1 ASN A 46 11.669 -5.285 -5.622 1.00 0.00 O ATOM 748 ND2 ASN A 46 12.281 -3.200 -5.880 1.00 0.00 N ATOM 0 H ASN A 46 11.893 -3.088 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 46 12.666 -2.102 -3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.381 -4.460 -3.414 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.721 -4.914 -3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.115 -3.263 -6.884 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.613 -2.326 -5.471 1.00 0.00 H new ATOM 755 N LEU A 47 10.417 -1.109 -3.531 1.00 0.00 N ATOM 756 CA LEU A 47 9.104 -0.530 -3.751 1.00 0.00 C ATOM 757 C LEU A 47 8.340 -1.310 -4.819 1.00 0.00 C ATOM 758 O LEU A 47 7.169 -1.606 -4.594 1.00 0.00 O ATOM 759 CB LEU A 47 9.246 0.953 -4.126 1.00 0.00 C ATOM 760 CG LEU A 47 7.902 1.613 -4.476 1.00 0.00 C ATOM 761 CD1 LEU A 47 6.864 1.483 -3.351 1.00 0.00 C ATOM 762 CD2 LEU A 47 8.103 3.085 -4.837 1.00 0.00 C ATOM 0 H LEU A 47 11.179 -0.448 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 47 8.526 -0.595 -2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.704 1.490 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.922 1.045 -4.976 1.00 0.00 H new ATOM 0 HG LEU A 47 7.508 1.077 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.936 1.967 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.675 0.428 -3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.244 1.961 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.141 3.534 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.544 3.610 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.768 3.161 -5.697 1.00 0.00 H new ATOM 774 N ASP A 48 8.978 -1.676 -5.938 1.00 0.00 N ATOM 775 CA ASP A 48 8.306 -2.395 -7.033 1.00 0.00 C ATOM 776 C ASP A 48 7.630 -3.666 -6.526 1.00 0.00 C ATOM 777 O ASP A 48 6.487 -3.934 -6.884 1.00 0.00 O ATOM 778 CB ASP A 48 9.260 -2.745 -8.179 1.00 0.00 C ATOM 779 CG ASP A 48 8.506 -3.476 -9.310 1.00 0.00 C ATOM 780 OD1 ASP A 48 8.429 -4.725 -9.276 1.00 0.00 O ATOM 781 OD2 ASP A 48 8.023 -2.795 -10.248 1.00 0.00 O ATOM 0 H ASP A 48 9.965 -1.485 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 48 7.549 -1.714 -7.423 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.718 -1.836 -8.568 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.068 -3.375 -7.807 1.00 0.00 H new ATOM 786 N SER A 49 8.285 -4.380 -5.603 1.00 0.00 N ATOM 787 CA SER A 49 7.744 -5.576 -4.976 1.00 0.00 C ATOM 788 C SER A 49 6.340 -5.310 -4.427 1.00 0.00 C ATOM 789 O SER A 49 5.398 -6.060 -4.705 1.00 0.00 O ATOM 790 CB SER A 49 8.701 -6.076 -3.894 1.00 0.00 C ATOM 791 OG SER A 49 8.578 -7.467 -3.680 1.00 0.00 O ATOM 0 H SER A 49 9.218 -4.134 -5.271 1.00 0.00 H new ATOM 0 HA SER A 49 7.649 -6.363 -5.724 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.726 -5.843 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.503 -5.547 -2.962 1.00 0.00 H new ATOM 0 HG SER A 49 9.207 -7.748 -2.983 1.00 0.00 H new ATOM 797 N VAL A 50 6.191 -4.209 -3.691 1.00 0.00 N ATOM 798 CA VAL A 50 4.932 -3.810 -3.100 1.00 0.00 C ATOM 799 C VAL A 50 3.982 -3.280 -4.167 1.00 0.00 C ATOM 800 O VAL A 50 2.810 -3.641 -4.165 1.00 0.00 O ATOM 801 CB VAL A 50 5.155 -2.779 -1.980 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.815 -2.574 -1.263 1.00 0.00 C ATOM 803 CG2 VAL A 50 6.233 -3.223 -0.975 1.00 0.00 C ATOM 0 H VAL A 50 6.957 -3.566 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 50 4.469 -4.688 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 50 5.514 -1.850 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.939 -1.847 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.074 -2.208 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.478 -3.522 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.350 -2.459 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.933 -4.162 -0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.180 -3.362 -1.496 1.00 0.00 H new ATOM 813 N LEU A 51 4.457 -2.421 -5.067 1.00 0.00 N ATOM 814 CA LEU A 51 3.631 -1.788 -6.089 1.00 0.00 C ATOM 815 C LEU A 51 2.948 -2.826 -6.977 1.00 0.00 C ATOM 816 O LEU A 51 1.757 -2.713 -7.263 1.00 0.00 O ATOM 817 CB LEU A 51 4.510 -0.865 -6.942 1.00 0.00 C ATOM 818 CG LEU A 51 4.868 0.471 -6.272 1.00 0.00 C ATOM 819 CD1 LEU A 51 5.640 1.356 -7.252 1.00 0.00 C ATOM 820 CD2 LEU A 51 3.624 1.229 -5.817 1.00 0.00 C ATOM 0 H LEU A 51 5.438 -2.143 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 51 2.849 -1.210 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.432 -1.390 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.996 -0.660 -7.881 1.00 0.00 H new ATOM 0 HG LEU A 51 5.478 0.240 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.890 2.301 -6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.556 0.850 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.024 1.549 -8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.921 2.167 -5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.990 1.438 -6.679 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.072 0.624 -5.098 1.00 0.00 H new ATOM 832 N LYS A 52 3.678 -3.883 -7.327 1.00 0.00 N ATOM 833 CA LYS A 52 3.148 -5.024 -8.053 1.00 0.00 C ATOM 834 C LYS A 52 2.042 -5.656 -7.243 1.00 0.00 C ATOM 835 O LYS A 52 1.021 -6.018 -7.806 1.00 0.00 O ATOM 836 CB LYS A 52 4.232 -6.085 -8.314 1.00 0.00 C ATOM 837 CG LYS A 52 4.725 -6.113 -9.767 1.00 0.00 C ATOM 838 CD LYS A 52 5.050 -7.561 -10.146 1.00 0.00 C ATOM 839 CE LYS A 52 5.604 -7.662 -11.560 1.00 0.00 C ATOM 840 NZ LYS A 52 4.840 -8.636 -12.361 1.00 0.00 N ATOM 0 H LYS A 52 4.671 -3.967 -7.108 1.00 0.00 H new ATOM 0 HA LYS A 52 2.775 -4.667 -9.013 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.079 -5.897 -7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.838 -7.067 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.962 -5.710 -10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.609 -5.485 -9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.775 -7.968 -9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.150 -8.170 -10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.567 -6.684 -12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.652 -7.959 -11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.239 -8.685 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.897 -9.573 -11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.845 -8.337 -12.414 1.00 0.00 H new ATOM 854 N LYS A 53 2.237 -5.850 -5.937 1.00 0.00 N ATOM 855 CA LYS A 53 1.201 -6.469 -5.135 1.00 0.00 C ATOM 856 C LYS A 53 -0.039 -5.590 -5.067 1.00 0.00 C ATOM 857 O LYS A 53 -1.126 -6.152 -4.991 1.00 0.00 O ATOM 858 CB LYS A 53 1.713 -6.830 -3.736 1.00 0.00 C ATOM 859 CG LYS A 53 0.714 -7.739 -3.000 1.00 0.00 C ATOM 860 CD LYS A 53 0.674 -9.165 -3.550 1.00 0.00 C ATOM 861 CE LYS A 53 1.665 -10.048 -2.805 1.00 0.00 C ATOM 862 NZ LYS A 53 1.999 -11.276 -3.556 1.00 0.00 N ATOM 0 H LYS A 53 3.083 -5.592 -5.430 1.00 0.00 H new ATOM 0 HA LYS A 53 0.918 -7.401 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.677 -7.333 -3.816 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.876 -5.920 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.975 -7.772 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.282 -7.303 -3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.332 -9.572 -3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.911 -9.158 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.577 -9.484 -2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.248 -10.320 -1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.676 -11.844 -3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.134 -11.830 -3.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.422 -11.019 -4.471 1.00 0.00 H new ATOM 876 N LEU A 54 0.071 -4.258 -5.045 1.00 0.00 N ATOM 877 CA LEU A 54 -1.119 -3.419 -5.091 1.00 0.00 C ATOM 878 C LEU A 54 -1.893 -3.729 -6.372 1.00 0.00 C ATOM 879 O LEU A 54 -3.090 -4.011 -6.340 1.00 0.00 O ATOM 880 CB LEU A 54 -0.677 -1.953 -4.998 1.00 0.00 C ATOM 881 CG LEU A 54 -0.572 -1.364 -3.588 1.00 0.00 C ATOM 882 CD1 LEU A 54 -1.956 -0.998 -3.036 1.00 0.00 C ATOM 883 CD2 LEU A 54 0.160 -2.194 -2.534 1.00 0.00 C ATOM 0 H LEU A 54 0.955 -3.751 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.790 -3.617 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.295 -1.857 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.379 -1.347 -5.571 1.00 0.00 H new ATOM 0 HG LEU A 54 0.054 -0.487 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.850 -0.582 -2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.424 -0.260 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.579 -1.891 -2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.159 -1.659 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.345 -3.152 -2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.188 -2.364 -2.854 1.00 0.00 H new ATOM 895 N GLU A 55 -1.193 -3.765 -7.497 1.00 0.00 N ATOM 896 CA GLU A 55 -1.798 -4.017 -8.792 1.00 0.00 C ATOM 897 C GLU A 55 -2.371 -5.441 -8.877 1.00 0.00 C ATOM 898 O GLU A 55 -3.485 -5.620 -9.370 1.00 0.00 O ATOM 899 CB GLU A 55 -0.741 -3.695 -9.856 1.00 0.00 C ATOM 900 CG GLU A 55 -0.664 -2.159 -9.976 1.00 0.00 C ATOM 901 CD GLU A 55 0.557 -1.613 -10.699 1.00 0.00 C ATOM 902 OE1 GLU A 55 1.635 -2.253 -10.719 1.00 0.00 O ATOM 903 OE2 GLU A 55 0.503 -0.423 -11.090 1.00 0.00 O ATOM 0 H GLU A 55 -0.184 -3.619 -7.534 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.663 -3.376 -8.961 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.227 -4.107 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.010 -4.142 -10.813 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.557 -1.809 -10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.690 -1.733 -8.973 1.00 0.00 H new ATOM 910 N GLU A 56 -1.672 -6.443 -8.342 1.00 0.00 N ATOM 911 CA GLU A 56 -2.059 -7.856 -8.284 1.00 0.00 C ATOM 912 C GLU A 56 -3.121 -8.163 -7.207 1.00 0.00 C ATOM 913 O GLU A 56 -3.376 -9.338 -6.903 1.00 0.00 O ATOM 914 CB GLU A 56 -0.826 -8.755 -8.075 1.00 0.00 C ATOM 915 CG GLU A 56 0.063 -8.955 -9.317 1.00 0.00 C ATOM 916 CD GLU A 56 0.888 -10.254 -9.256 1.00 0.00 C ATOM 917 OE1 GLU A 56 0.895 -10.927 -8.186 1.00 0.00 O ATOM 918 OE2 GLU A 56 1.527 -10.585 -10.272 1.00 0.00 O ATOM 0 H GLU A 56 -0.762 -6.281 -7.910 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.516 -8.076 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.217 -8.328 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.164 -9.732 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.564 -8.969 -10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.738 -8.105 -9.416 1.00 0.00 H new ATOM 925 N ILE A 57 -3.749 -7.154 -6.592 1.00 0.00 N ATOM 926 CA ILE A 57 -4.980 -7.364 -5.831 1.00 0.00 C ATOM 927 C ILE A 57 -6.172 -6.595 -6.431 1.00 0.00 C ATOM 928 O ILE A 57 -7.229 -6.550 -5.795 1.00 0.00 O ATOM 929 CB ILE A 57 -4.746 -7.102 -4.328 1.00 0.00 C ATOM 930 CG1 ILE A 57 -4.463 -5.616 -4.077 1.00 0.00 C ATOM 931 CG2 ILE A 57 -3.644 -7.997 -3.701 1.00 0.00 C ATOM 932 CD1 ILE A 57 -4.785 -5.185 -2.657 1.00 0.00 C ATOM 0 H ILE A 57 -3.424 -6.187 -6.608 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.263 -8.413 -5.913 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.671 -7.379 -3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.413 -5.411 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.048 -5.017 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.537 -7.755 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.923 -9.045 -3.807 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.697 -7.820 -4.211 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.564 -4.124 -2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.842 -5.360 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.181 -5.761 -1.956 1.00 0.00 H new ATOM 944 N ASP A 58 -6.005 -6.024 -7.636 1.00 0.00 N ATOM 945 CA ASP A 58 -6.917 -5.113 -8.354 1.00 0.00 C ATOM 946 C ASP A 58 -6.908 -3.685 -7.804 1.00 0.00 C ATOM 947 O ASP A 58 -7.890 -2.964 -7.961 1.00 0.00 O ATOM 948 CB ASP A 58 -8.362 -5.643 -8.360 1.00 0.00 C ATOM 949 CG ASP A 58 -9.261 -5.051 -9.446 1.00 0.00 C ATOM 950 OD1 ASP A 58 -8.854 -5.084 -10.626 1.00 0.00 O ATOM 951 OD2 ASP A 58 -10.422 -4.681 -9.116 1.00 0.00 O ATOM 0 H ASP A 58 -5.160 -6.201 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.535 -5.078 -9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.336 -6.726 -8.481 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.811 -5.442 -7.387 1.00 0.00 H new ATOM 956 N TYR A 59 -5.839 -3.277 -7.112 1.00 0.00 N ATOM 957 CA TYR A 59 -5.759 -1.970 -6.462 1.00 0.00 C ATOM 958 C TYR A 59 -4.625 -1.166 -7.102 1.00 0.00 C ATOM 959 O TYR A 59 -3.576 -0.981 -6.478 1.00 0.00 O ATOM 960 CB TYR A 59 -5.553 -2.100 -4.943 1.00 0.00 C ATOM 961 CG TYR A 59 -6.781 -2.445 -4.135 1.00 0.00 C ATOM 962 CD1 TYR A 59 -7.633 -3.496 -4.508 1.00 0.00 C ATOM 963 CD2 TYR A 59 -7.098 -1.689 -3.005 1.00 0.00 C ATOM 964 CE1 TYR A 59 -8.834 -3.740 -3.844 1.00 0.00 C ATOM 965 CE2 TYR A 59 -8.201 -2.032 -2.237 1.00 0.00 C ATOM 966 CZ TYR A 59 -9.120 -2.989 -2.700 1.00 0.00 C ATOM 967 OH TYR A 59 -10.331 -3.129 -2.115 1.00 0.00 O ATOM 0 H TYR A 59 -5.003 -3.848 -6.988 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.705 -1.447 -6.606 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.797 -2.865 -4.763 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.149 -1.159 -4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -7.350 -4.134 -5.333 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.488 -0.841 -2.730 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.525 -4.489 -4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.354 -1.561 -1.277 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.862 -2.319 -2.264 1.00 0.00 H new ATOM 977 N PRO A 60 -4.780 -0.695 -8.345 1.00 0.00 N ATOM 978 CA PRO A 60 -3.720 0.029 -9.012 1.00 0.00 C ATOM 979 C PRO A 60 -3.484 1.373 -8.325 1.00 0.00 C ATOM 980 O PRO A 60 -4.313 2.281 -8.395 1.00 0.00 O ATOM 981 CB PRO A 60 -4.158 0.183 -10.460 1.00 0.00 C ATOM 982 CG PRO A 60 -5.683 0.088 -10.394 1.00 0.00 C ATOM 983 CD PRO A 60 -5.966 -0.782 -9.178 1.00 0.00 C ATOM 0 HA PRO A 60 -2.768 -0.499 -8.966 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.835 1.137 -10.876 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.736 -0.599 -11.091 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.137 1.074 -10.289 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.091 -0.356 -11.302 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.847 -0.430 -8.642 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.163 -1.813 -9.472 1.00 0.00 H new ATOM 991 N VAL A 61 -2.332 1.505 -7.673 1.00 0.00 N ATOM 992 CA VAL A 61 -1.846 2.750 -7.111 1.00 0.00 C ATOM 993 C VAL A 61 -1.864 3.799 -8.234 1.00 0.00 C ATOM 994 O VAL A 61 -1.421 3.555 -9.358 1.00 0.00 O ATOM 995 CB VAL A 61 -0.452 2.553 -6.518 1.00 0.00 C ATOM 996 CG1 VAL A 61 0.553 1.915 -7.477 1.00 0.00 C ATOM 997 CG2 VAL A 61 0.104 3.880 -6.002 1.00 0.00 C ATOM 0 H VAL A 61 -1.696 0.722 -7.520 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.480 3.092 -6.293 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.584 1.850 -5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.516 1.811 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.193 0.932 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.667 2.547 -8.358 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.098 3.720 -5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.167 4.592 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.556 4.275 -5.230 1.00 0.00 H new ATOM 1007 N GLU A 62 -2.356 4.983 -7.927 1.00 0.00 N ATOM 1008 CA GLU A 62 -2.340 6.144 -8.800 1.00 0.00 C ATOM 1009 C GLU A 62 -0.910 6.697 -8.874 1.00 0.00 C ATOM 1010 O GLU A 62 -0.272 6.597 -9.924 1.00 0.00 O ATOM 1011 CB GLU A 62 -3.401 7.152 -8.315 1.00 0.00 C ATOM 1012 CG GLU A 62 -3.904 8.099 -9.417 1.00 0.00 C ATOM 1013 CD GLU A 62 -5.262 8.745 -9.081 1.00 0.00 C ATOM 1014 OE1 GLU A 62 -6.341 8.126 -9.249 1.00 0.00 O ATOM 1015 OE2 GLU A 62 -5.285 9.930 -8.675 1.00 0.00 O ATOM 0 H GLU A 62 -2.796 5.172 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.614 5.890 -9.824 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.249 6.604 -7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.981 7.745 -7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.165 8.883 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.992 7.545 -10.352 1.00 0.00 H new ATOM 1022 N SER A 63 -0.365 7.210 -7.765 1.00 0.00 N ATOM 1023 CA SER A 63 1.003 7.736 -7.711 1.00 0.00 C ATOM 1024 C SER A 63 1.697 7.287 -6.417 1.00 0.00 C ATOM 1025 O SER A 63 1.029 6.757 -5.530 1.00 0.00 O ATOM 1026 CB SER A 63 1.001 9.273 -7.852 1.00 0.00 C ATOM 1027 OG SER A 63 -0.204 9.827 -8.375 1.00 0.00 O ATOM 0 H SER A 63 -0.863 7.272 -6.877 1.00 0.00 H new ATOM 0 HA SER A 63 1.569 7.331 -8.550 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.191 9.713 -6.873 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.828 9.565 -8.499 1.00 0.00 H new ATOM 0 HG SER A 63 -0.119 10.802 -8.429 1.00 0.00 H new ATOM 1033 N TYR A 64 3.013 7.476 -6.281 1.00 0.00 N ATOM 1034 CA TYR A 64 3.784 7.171 -5.080 1.00 0.00 C ATOM 1035 C TYR A 64 4.871 8.244 -4.906 1.00 0.00 C ATOM 1036 O TYR A 64 5.176 8.975 -5.849 1.00 0.00 O ATOM 1037 CB TYR A 64 4.392 5.759 -5.179 1.00 0.00 C ATOM 1038 CG TYR A 64 5.318 5.566 -6.366 1.00 0.00 C ATOM 1039 CD1 TYR A 64 6.654 6.014 -6.311 1.00 0.00 C ATOM 1040 CD2 TYR A 64 4.826 4.975 -7.545 1.00 0.00 C ATOM 1041 CE1 TYR A 64 7.482 5.908 -7.445 1.00 0.00 C ATOM 1042 CE2 TYR A 64 5.653 4.859 -8.674 1.00 0.00 C ATOM 1043 CZ TYR A 64 6.979 5.337 -8.637 1.00 0.00 C ATOM 1044 OH TYR A 64 7.747 5.254 -9.757 1.00 0.00 O ATOM 0 H TYR A 64 3.587 7.859 -7.032 1.00 0.00 H new ATOM 0 HA TYR A 64 3.135 7.182 -4.204 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.944 5.547 -4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.584 5.030 -5.240 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.043 6.439 -5.398 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.810 4.610 -7.581 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.501 6.263 -7.404 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.272 4.401 -9.575 1.00 0.00 H new ATOM 0 HH TYR A 64 7.232 4.831 -10.476 1.00 0.00 H new ATOM 1054 N GLN A 65 5.501 8.309 -3.729 1.00 0.00 N ATOM 1055 CA GLN A 65 6.656 9.144 -3.434 1.00 0.00 C ATOM 1056 C GLN A 65 7.419 8.516 -2.267 1.00 0.00 C ATOM 1057 O GLN A 65 6.796 7.931 -1.381 1.00 0.00 O ATOM 1058 CB GLN A 65 6.207 10.563 -3.033 1.00 0.00 C ATOM 1059 CG GLN A 65 6.694 11.601 -4.031 1.00 0.00 C ATOM 1060 CD GLN A 65 6.445 13.017 -3.531 1.00 0.00 C ATOM 1061 OE1 GLN A 65 5.434 13.635 -3.851 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.346 13.577 -2.741 1.00 0.00 N ATOM 0 H GLN A 65 5.203 7.755 -2.926 1.00 0.00 H new ATOM 0 HA GLN A 65 7.288 9.213 -4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.119 10.598 -2.971 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.591 10.801 -2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.760 11.460 -4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.186 11.456 -4.985 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.185 13.060 -2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.202 14.526 -2.395 1.00 0.00 H new ATOM 1071 N GLU A 66 8.743 8.647 -2.244 1.00 0.00 N ATOM 1072 CA GLU A 66 9.598 8.373 -1.090 1.00 0.00 C ATOM 1073 C GLU A 66 9.302 9.375 0.033 1.00 0.00 C ATOM 1074 O GLU A 66 9.093 10.559 -0.262 1.00 0.00 O ATOM 1075 CB GLU A 66 11.077 8.485 -1.505 1.00 0.00 C ATOM 1076 CG GLU A 66 11.881 7.356 -0.862 1.00 0.00 C ATOM 1077 CD GLU A 66 13.380 7.663 -0.783 1.00 0.00 C ATOM 1078 OE1 GLU A 66 13.957 8.067 -1.830 1.00 0.00 O ATOM 1079 OE2 GLU A 66 13.949 7.403 0.302 1.00 0.00 O ATOM 0 H GLU A 66 9.271 8.959 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 66 9.396 7.364 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.165 8.434 -2.590 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.478 9.451 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.500 7.171 0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.732 6.440 -1.433 1.00 0.00 H new ATOM 1086 N VAL A 67 9.329 8.942 1.300 1.00 0.00 N ATOM 1087 CA VAL A 67 9.238 9.809 2.478 1.00 0.00 C ATOM 1088 C VAL A 67 10.185 9.304 3.572 1.00 0.00 C ATOM 1089 O VAL A 67 11.000 8.387 3.312 1.00 0.00 O ATOM 1090 CB VAL A 67 7.768 9.988 2.947 1.00 0.00 C ATOM 1091 CG1 VAL A 67 6.859 10.524 1.846 1.00 0.00 C ATOM 1092 CG2 VAL A 67 7.058 8.734 3.468 1.00 0.00 C ATOM 0 H VAL A 67 9.417 7.954 1.538 1.00 0.00 H new ATOM 0 HA VAL A 67 9.570 10.813 2.214 1.00 0.00 H new ATOM 0 HB VAL A 67 7.904 10.689 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.845 10.629 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.224 11.496 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.858 9.831 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.040 8.989 3.764 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.029 7.979 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.599 8.341 4.329 1.00 0.00 H new TER 1102 VAL A 67