USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 24 THR OG1 : rot -163:sc= -0.0255 USER MOD Set 1.2: A 26 LYS NZ :NH3+ -114:sc= -1.9 (180deg=-4.21!) USER MOD Single : A 1 SER N :NH3+ 168:sc= -1.3 (180deg=-1.39) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -33:sc= 1.14 USER MOD Single : A 13 LYS NZ :NH3+ 151:sc= -0.826 (180deg=-1.54) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3.9!) USER MOD Single : A 22 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.17) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -2.12 (180deg=-2.26) USER MOD Single : A 34 LYS NZ :NH3+ 149:sc= -0.233 (180deg=-1.39!) USER MOD Single : A 35 MET CE :methyl -154:sc= -0.0645 (180deg=-0.172) USER MOD Single : A 37 SER OG : rot -49:sc= 0.272 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -88:sc= 0.933 USER MOD Single : A 48 GLN : amide:sc= -3.78! C(o=-3.8!,f=-6.8!) USER MOD Single : A 53 THR OG1 : rot 91:sc= 0.485 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 57 SER OG : rot 180:sc=-0.00303 USER MOD Single : A 60 SER OG : rot 108:sc= 1.08 USER MOD Single : A 67 SER OG : rot 150:sc= -2.16 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -158:sc= -0.227 (180deg=-1.31!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.270 16.967 -1.267 1.00 0.00 N ATOM 2 CA SER A 1 5.244 16.709 -0.219 1.00 0.00 C ATOM 3 C SER A 1 4.140 15.817 -0.792 1.00 0.00 C ATOM 4 O SER A 1 2.975 15.969 -0.484 1.00 0.00 O ATOM 5 CB SER A 1 4.637 18.037 0.238 1.00 0.00 C ATOM 6 OG SER A 1 5.653 18.845 0.816 1.00 0.00 O ATOM 0 H1 SER A 1 6.906 17.727 -0.951 1.00 0.00 H new ATOM 0 H2 SER A 1 6.821 16.101 -1.434 1.00 0.00 H new ATOM 0 H3 SER A 1 5.800 17.254 -2.150 1.00 0.00 H new ATOM 0 HA SER A 1 5.711 16.210 0.630 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.184 18.553 -0.608 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.844 17.857 0.963 1.00 0.00 H new ATOM 0 HG SER A 1 5.267 19.697 1.108 1.00 0.00 H new ATOM 14 N ASP A 2 4.510 14.897 -1.643 1.00 0.00 N ATOM 15 CA ASP A 2 3.507 13.994 -2.270 1.00 0.00 C ATOM 16 C ASP A 2 2.907 13.052 -1.223 1.00 0.00 C ATOM 17 O ASP A 2 3.558 12.164 -0.709 1.00 0.00 O ATOM 18 CB ASP A 2 4.190 13.177 -3.372 1.00 0.00 C ATOM 19 CG ASP A 2 3.234 12.101 -3.894 1.00 0.00 C ATOM 20 OD1 ASP A 2 3.243 11.012 -3.345 1.00 0.00 O ATOM 21 OD2 ASP A 2 2.511 12.385 -4.835 1.00 0.00 O ATOM 0 H ASP A 2 5.474 14.733 -1.932 1.00 0.00 H new ATOM 0 HA ASP A 2 2.702 14.593 -2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.493 13.833 -4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.096 12.713 -2.983 1.00 0.00 H new ATOM 26 N VAL A 3 1.661 13.267 -0.900 1.00 0.00 N ATOM 27 CA VAL A 3 0.973 12.427 0.120 1.00 0.00 C ATOM 28 C VAL A 3 0.660 11.031 -0.437 1.00 0.00 C ATOM 29 O VAL A 3 0.226 10.170 0.301 1.00 0.00 O ATOM 30 CB VAL A 3 -0.349 13.122 0.516 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.118 14.628 0.638 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.441 12.865 -0.532 1.00 0.00 C ATOM 0 H VAL A 3 1.082 14.001 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 3 1.626 12.313 0.985 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.677 12.713 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.051 15.118 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.635 14.820 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.226 15.022 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.361 13.365 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.117 13.254 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.621 11.793 -0.615 1.00 0.00 H new ATOM 42 N TYR A 4 0.810 10.784 -1.722 1.00 0.00 N ATOM 43 CA TYR A 4 0.425 9.422 -2.230 1.00 0.00 C ATOM 44 C TYR A 4 1.489 8.382 -1.844 1.00 0.00 C ATOM 45 O TYR A 4 1.178 7.315 -1.352 1.00 0.00 O ATOM 46 CB TYR A 4 0.208 9.445 -3.748 1.00 0.00 C ATOM 47 CG TYR A 4 -1.197 9.888 -4.090 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.280 9.057 -3.796 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.410 11.108 -4.746 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.575 9.440 -4.154 1.00 0.00 C ATOM 51 CE2 TYR A 4 -2.708 11.497 -5.096 1.00 0.00 C ATOM 52 CZ TYR A 4 -3.792 10.662 -4.801 1.00 0.00 C ATOM 53 OH TYR A 4 -5.071 11.040 -5.154 1.00 0.00 O ATOM 0 H TYR A 4 1.168 11.438 -2.418 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.517 9.137 -1.762 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.928 10.119 -4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.390 8.452 -4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.116 8.117 -3.291 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.572 11.748 -4.981 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.410 8.792 -3.931 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.873 12.441 -5.594 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.595 10.245 -5.385 1.00 0.00 H new ATOM 63 N CYS A 5 2.740 8.686 -2.066 1.00 0.00 N ATOM 64 CA CYS A 5 3.816 7.713 -1.714 1.00 0.00 C ATOM 65 C CYS A 5 3.710 7.368 -0.216 1.00 0.00 C ATOM 66 O CYS A 5 3.833 6.223 0.170 1.00 0.00 O ATOM 67 CB CYS A 5 5.196 8.330 -2.028 1.00 0.00 C ATOM 68 SG CYS A 5 6.266 7.073 -2.784 1.00 0.00 S ATOM 0 H CYS A 5 3.063 9.563 -2.475 1.00 0.00 H new ATOM 0 HA CYS A 5 3.701 6.802 -2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.081 9.178 -2.703 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.653 8.709 -1.114 1.00 0.00 H new ATOM 73 N GLU A 6 3.503 8.340 0.627 1.00 0.00 N ATOM 74 CA GLU A 6 3.415 8.047 2.090 1.00 0.00 C ATOM 75 C GLU A 6 2.288 7.049 2.369 1.00 0.00 C ATOM 76 O GLU A 6 2.435 6.140 3.162 1.00 0.00 O ATOM 77 CB GLU A 6 3.143 9.345 2.851 1.00 0.00 C ATOM 78 CG GLU A 6 4.111 10.421 2.373 1.00 0.00 C ATOM 79 CD GLU A 6 3.872 11.712 3.157 1.00 0.00 C ATOM 80 OE1 GLU A 6 3.579 11.620 4.338 1.00 0.00 O ATOM 81 OE2 GLU A 6 3.984 12.773 2.564 1.00 0.00 O ATOM 0 H GLU A 6 3.391 9.321 0.371 1.00 0.00 H new ATOM 0 HA GLU A 6 4.359 7.613 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.114 9.667 2.688 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.261 9.183 3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.139 10.086 2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.973 10.600 1.307 1.00 0.00 H new ATOM 88 N VAL A 7 1.156 7.223 1.744 1.00 0.00 N ATOM 89 CA VAL A 7 0.011 6.299 1.997 1.00 0.00 C ATOM 90 C VAL A 7 0.287 4.904 1.406 1.00 0.00 C ATOM 91 O VAL A 7 0.019 3.903 2.040 1.00 0.00 O ATOM 92 CB VAL A 7 -1.275 6.902 1.411 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.402 5.862 1.453 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.691 8.162 2.206 1.00 0.00 C ATOM 0 H VAL A 7 0.973 7.965 1.068 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.115 6.178 3.073 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.088 7.189 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.312 6.294 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.114 4.989 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.582 5.562 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.604 8.577 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.868 7.893 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.895 8.905 2.153 1.00 0.00 H new ATOM 104 N CYS A 8 0.820 4.812 0.213 1.00 0.00 N ATOM 105 CA CYS A 8 1.098 3.463 -0.372 1.00 0.00 C ATOM 106 C CYS A 8 2.055 2.707 0.542 1.00 0.00 C ATOM 107 O CYS A 8 1.878 1.531 0.796 1.00 0.00 O ATOM 108 CB CYS A 8 1.720 3.636 -1.757 1.00 0.00 C ATOM 109 SG CYS A 8 2.297 2.038 -2.392 1.00 0.00 S ATOM 0 H CYS A 8 1.073 5.605 -0.377 1.00 0.00 H new ATOM 0 HA CYS A 8 0.171 2.897 -0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.987 4.064 -2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.554 4.336 -1.704 1.00 0.00 H new ATOM 114 N GLU A 9 3.064 3.358 1.051 1.00 0.00 N ATOM 115 CA GLU A 9 4.002 2.648 1.951 1.00 0.00 C ATOM 116 C GLU A 9 3.276 2.332 3.259 1.00 0.00 C ATOM 117 O GLU A 9 3.573 1.349 3.909 1.00 0.00 O ATOM 118 CB GLU A 9 5.226 3.541 2.236 1.00 0.00 C ATOM 119 CG GLU A 9 6.295 3.336 1.157 1.00 0.00 C ATOM 120 CD GLU A 9 7.343 4.447 1.259 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.076 5.532 0.767 1.00 0.00 O ATOM 122 OE2 GLU A 9 8.392 4.194 1.828 1.00 0.00 O ATOM 0 H GLU A 9 3.275 4.342 0.882 1.00 0.00 H new ATOM 0 HA GLU A 9 4.342 1.725 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.923 4.588 2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.638 3.303 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.769 2.362 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.836 3.344 0.169 1.00 0.00 H new ATOM 129 N PHE A 10 2.317 3.130 3.660 1.00 0.00 N ATOM 130 CA PHE A 10 1.605 2.807 4.923 1.00 0.00 C ATOM 131 C PHE A 10 0.739 1.560 4.709 1.00 0.00 C ATOM 132 O PHE A 10 0.766 0.638 5.501 1.00 0.00 O ATOM 133 CB PHE A 10 0.712 3.973 5.353 1.00 0.00 C ATOM 134 CG PHE A 10 -0.033 3.560 6.599 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.552 3.739 7.857 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.296 2.969 6.491 1.00 0.00 C ATOM 137 CE1 PHE A 10 -0.129 3.331 9.010 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.976 2.556 7.643 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.393 2.737 8.903 1.00 0.00 C ATOM 0 H PHE A 10 2.005 3.972 3.176 1.00 0.00 H new ATOM 0 HA PHE A 10 2.343 2.624 5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.313 4.861 5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.011 4.229 4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.529 4.192 7.939 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.747 2.831 5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.320 3.474 9.982 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.950 2.098 7.560 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.918 2.419 9.792 1.00 0.00 H new ATOM 149 N LEU A 11 -0.019 1.506 3.640 1.00 0.00 N ATOM 150 CA LEU A 11 -0.858 0.296 3.399 1.00 0.00 C ATOM 151 C LEU A 11 0.073 -0.904 3.239 1.00 0.00 C ATOM 152 O LEU A 11 -0.167 -1.958 3.794 1.00 0.00 O ATOM 153 CB LEU A 11 -1.699 0.448 2.114 1.00 0.00 C ATOM 154 CG LEU A 11 -2.661 1.644 2.232 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.161 2.039 0.838 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.870 1.275 3.100 1.00 0.00 C ATOM 0 H LEU A 11 -0.091 2.238 2.934 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.538 0.162 4.240 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.040 0.588 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.266 -0.465 1.935 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.125 2.475 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.842 2.886 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.313 2.316 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.684 1.196 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.540 2.131 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.400 0.437 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.530 0.994 4.097 1.00 0.00 H new ATOM 168 N VAL A 12 1.135 -0.766 2.488 1.00 0.00 N ATOM 169 CA VAL A 12 2.065 -1.908 2.306 1.00 0.00 C ATOM 170 C VAL A 12 2.618 -2.333 3.677 1.00 0.00 C ATOM 171 O VAL A 12 2.616 -3.496 4.019 1.00 0.00 O ATOM 172 CB VAL A 12 3.210 -1.451 1.386 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.421 -2.378 1.520 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.729 -1.459 -0.067 1.00 0.00 C ATOM 0 H VAL A 12 1.394 0.089 1.996 1.00 0.00 H new ATOM 0 HA VAL A 12 1.551 -2.759 1.858 1.00 0.00 H new ATOM 0 HB VAL A 12 3.507 -0.444 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.217 -2.034 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.775 -2.368 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.134 -3.393 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.539 -1.135 -0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.421 -2.468 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.883 -0.780 -0.174 1.00 0.00 H new ATOM 184 N LYS A 13 3.086 -1.394 4.465 1.00 0.00 N ATOM 185 CA LYS A 13 3.636 -1.748 5.810 1.00 0.00 C ATOM 186 C LYS A 13 2.550 -2.452 6.625 1.00 0.00 C ATOM 187 O LYS A 13 2.797 -3.429 7.305 1.00 0.00 O ATOM 188 CB LYS A 13 4.091 -0.465 6.525 1.00 0.00 C ATOM 189 CG LYS A 13 4.316 -0.736 8.024 1.00 0.00 C ATOM 190 CD LYS A 13 5.298 0.290 8.601 1.00 0.00 C ATOM 191 CE LYS A 13 4.818 1.706 8.274 1.00 0.00 C ATOM 192 NZ LYS A 13 3.358 1.815 8.555 1.00 0.00 N ATOM 0 H LYS A 13 3.110 -0.401 4.235 1.00 0.00 H new ATOM 0 HA LYS A 13 4.491 -2.416 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.012 -0.097 6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.340 0.315 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.367 -0.684 8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.706 -1.744 8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.378 0.163 9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.293 0.128 8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.369 2.434 8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.015 1.935 7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.127 2.795 8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.820 1.545 7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.107 1.181 9.340 1.00 0.00 H new ATOM 206 N GLU A 14 1.354 -1.939 6.583 1.00 0.00 N ATOM 207 CA GLU A 14 0.252 -2.546 7.377 1.00 0.00 C ATOM 208 C GLU A 14 -0.147 -3.890 6.766 1.00 0.00 C ATOM 209 O GLU A 14 -0.451 -4.831 7.473 1.00 0.00 O ATOM 210 CB GLU A 14 -0.955 -1.579 7.374 1.00 0.00 C ATOM 211 CG GLU A 14 -1.620 -1.539 8.766 1.00 0.00 C ATOM 212 CD GLU A 14 -3.096 -1.174 8.638 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.388 0.005 8.529 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.908 -2.083 8.655 1.00 0.00 O ATOM 0 H GLU A 14 1.091 -1.123 6.031 1.00 0.00 H new ATOM 0 HA GLU A 14 0.582 -2.715 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.626 -0.579 7.093 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.682 -1.897 6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.519 -2.509 9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.112 -0.811 9.398 1.00 0.00 H new ATOM 221 N VAL A 15 -0.165 -3.994 5.474 1.00 0.00 N ATOM 222 CA VAL A 15 -0.566 -5.281 4.859 1.00 0.00 C ATOM 223 C VAL A 15 0.487 -6.360 5.140 1.00 0.00 C ATOM 224 O VAL A 15 0.150 -7.479 5.447 1.00 0.00 O ATOM 225 CB VAL A 15 -0.756 -5.092 3.343 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.699 -6.457 2.625 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.117 -4.429 3.084 1.00 0.00 C ATOM 0 H VAL A 15 0.079 -3.250 4.820 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.510 -5.607 5.296 1.00 0.00 H new ATOM 0 HB VAL A 15 0.043 -4.459 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.835 -6.310 1.553 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.269 -6.924 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.491 -7.102 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.257 -4.293 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.912 -5.064 3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.150 -3.459 3.580 1.00 0.00 H new ATOM 237 N THR A 16 1.751 -6.074 5.014 1.00 0.00 N ATOM 238 CA THR A 16 2.727 -7.171 5.255 1.00 0.00 C ATOM 239 C THR A 16 2.623 -7.657 6.696 1.00 0.00 C ATOM 240 O THR A 16 2.728 -8.840 6.954 1.00 0.00 O ATOM 241 CB THR A 16 4.171 -6.754 4.978 1.00 0.00 C ATOM 242 OG1 THR A 16 4.712 -6.131 6.134 1.00 0.00 O ATOM 243 CG2 THR A 16 4.269 -5.791 3.784 1.00 0.00 C ATOM 0 H THR A 16 2.141 -5.165 4.764 1.00 0.00 H new ATOM 0 HA THR A 16 2.472 -7.970 4.559 1.00 0.00 H new ATOM 0 HB THR A 16 4.738 -7.652 4.731 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.639 -5.864 5.959 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.312 -5.519 3.621 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.877 -6.278 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.688 -4.893 3.993 1.00 0.00 H new ATOM 251 N LYS A 17 2.412 -6.790 7.645 1.00 0.00 N ATOM 252 CA LYS A 17 2.306 -7.297 9.036 1.00 0.00 C ATOM 253 C LYS A 17 1.087 -8.217 9.083 1.00 0.00 C ATOM 254 O LYS A 17 1.046 -9.196 9.802 1.00 0.00 O ATOM 255 CB LYS A 17 2.143 -6.132 10.028 1.00 0.00 C ATOM 256 CG LYS A 17 1.511 -6.648 11.340 1.00 0.00 C ATOM 257 CD LYS A 17 1.904 -5.760 12.521 1.00 0.00 C ATOM 258 CE LYS A 17 1.387 -6.399 13.813 1.00 0.00 C ATOM 259 NZ LYS A 17 1.955 -5.680 14.988 1.00 0.00 N ATOM 0 H LYS A 17 2.311 -5.782 7.523 1.00 0.00 H new ATOM 0 HA LYS A 17 3.210 -7.836 9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.113 -5.679 10.234 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.515 -5.355 9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.426 -6.670 11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.835 -7.672 11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.987 -5.646 12.564 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.483 -4.762 12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.298 -6.358 13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.667 -7.452 13.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.603 -6.115 15.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.993 -5.741 14.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.666 -4.681 14.957 1.00 0.00 H new ATOM 273 N LEU A 18 0.098 -7.894 8.297 1.00 0.00 N ATOM 274 CA LEU A 18 -1.135 -8.718 8.248 1.00 0.00 C ATOM 275 C LEU A 18 -0.778 -10.031 7.540 1.00 0.00 C ATOM 276 O LEU A 18 -1.252 -11.093 7.893 1.00 0.00 O ATOM 277 CB LEU A 18 -2.233 -7.955 7.472 1.00 0.00 C ATOM 278 CG LEU A 18 -2.828 -6.718 8.250 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.323 -6.919 8.512 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.152 -6.454 9.608 1.00 0.00 C ATOM 0 H LEU A 18 0.095 -7.082 7.679 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.515 -8.925 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.820 -7.610 6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.042 -8.646 7.235 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.643 -5.860 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.717 -6.057 9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.848 -7.026 7.563 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.470 -7.818 9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.615 -5.589 10.083 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.271 -7.327 10.250 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.091 -6.259 9.454 1.00 0.00 H new ATOM 292 N ILE A 19 0.094 -9.966 6.571 1.00 0.00 N ATOM 293 CA ILE A 19 0.534 -11.202 5.865 1.00 0.00 C ATOM 294 C ILE A 19 1.426 -11.978 6.828 1.00 0.00 C ATOM 295 O ILE A 19 1.468 -13.192 6.825 1.00 0.00 O ATOM 296 CB ILE A 19 1.333 -10.824 4.604 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.392 -10.134 3.606 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.929 -12.082 3.959 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.173 -9.684 2.369 1.00 0.00 C ATOM 0 H ILE A 19 0.523 -9.103 6.236 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.323 -11.802 5.561 1.00 0.00 H new ATOM 0 HB ILE A 19 2.145 -10.151 4.879 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.405 -10.818 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.083 -9.274 4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.492 -11.802 3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.594 -12.575 4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.125 -12.764 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.495 -9.196 1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.953 -8.984 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.627 -10.551 1.890 1.00 0.00 H new ATOM 311 N ASP A 20 2.147 -11.267 7.652 1.00 0.00 N ATOM 312 CA ASP A 20 3.055 -11.923 8.626 1.00 0.00 C ATOM 313 C ASP A 20 2.257 -12.506 9.795 1.00 0.00 C ATOM 314 O ASP A 20 2.720 -13.409 10.462 1.00 0.00 O ATOM 315 CB ASP A 20 4.051 -10.892 9.158 1.00 0.00 C ATOM 316 CG ASP A 20 5.123 -11.600 9.988 1.00 0.00 C ATOM 317 OD1 ASP A 20 5.436 -12.736 9.673 1.00 0.00 O ATOM 318 OD2 ASP A 20 5.614 -10.993 10.926 1.00 0.00 O ATOM 0 H ASP A 20 2.143 -10.248 7.689 1.00 0.00 H new ATOM 0 HA ASP A 20 3.585 -12.733 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.513 -10.355 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.533 -10.152 9.768 1.00 0.00 H new ATOM 323 N ASN A 21 1.068 -12.003 10.068 1.00 0.00 N ATOM 324 CA ASN A 21 0.285 -12.561 11.222 1.00 0.00 C ATOM 325 C ASN A 21 -0.556 -13.751 10.741 1.00 0.00 C ATOM 326 O ASN A 21 -1.232 -14.387 11.524 1.00 0.00 O ATOM 327 CB ASN A 21 -0.589 -11.482 11.867 1.00 0.00 C ATOM 328 CG ASN A 21 -1.299 -12.064 13.091 1.00 0.00 C ATOM 329 OD1 ASN A 21 -2.256 -12.802 12.959 1.00 0.00 O ATOM 330 ND2 ASN A 21 -0.869 -11.761 14.285 1.00 0.00 N ATOM 0 H ASN A 21 0.616 -11.247 9.553 1.00 0.00 H new ATOM 0 HA ASN A 21 0.978 -12.910 11.988 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.024 -10.630 12.160 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.322 -11.115 11.148 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.336 -12.143 15.107 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.066 -11.142 14.396 1.00 0.00 H new ATOM 337 N ASN A 22 -0.460 -14.098 9.477 1.00 0.00 N ATOM 338 CA ASN A 22 -1.184 -15.309 8.944 1.00 0.00 C ATOM 339 C ASN A 22 -2.667 -15.041 8.638 1.00 0.00 C ATOM 340 O ASN A 22 -3.504 -15.882 8.898 1.00 0.00 O ATOM 341 CB ASN A 22 -1.085 -16.458 9.974 1.00 0.00 C ATOM 342 CG ASN A 22 -1.100 -17.814 9.259 1.00 0.00 C ATOM 343 OD1 ASN A 22 -0.326 -18.044 8.351 1.00 0.00 O ATOM 344 ND2 ASN A 22 -1.956 -18.726 9.631 1.00 0.00 N ATOM 0 H ASN A 22 0.092 -13.593 8.784 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.702 -15.577 8.004 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.169 -16.356 10.556 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.917 -16.400 10.676 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.975 -19.630 9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.606 -18.534 10.393 1.00 0.00 H new ATOM 351 N LYS A 23 -3.016 -13.912 8.083 1.00 0.00 N ATOM 352 CA LYS A 23 -4.462 -13.659 7.767 1.00 0.00 C ATOM 353 C LYS A 23 -4.710 -14.033 6.299 1.00 0.00 C ATOM 354 O LYS A 23 -3.827 -13.959 5.468 1.00 0.00 O ATOM 355 CB LYS A 23 -4.787 -12.183 8.008 1.00 0.00 C ATOM 356 CG LYS A 23 -4.088 -11.669 9.307 1.00 0.00 C ATOM 357 CD LYS A 23 -5.078 -10.951 10.241 1.00 0.00 C ATOM 358 CE LYS A 23 -4.358 -10.564 11.533 1.00 0.00 C ATOM 359 NZ LYS A 23 -3.260 -9.604 11.223 1.00 0.00 N ATOM 0 H LYS A 23 -2.375 -13.158 7.835 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.105 -14.262 8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.460 -11.589 7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.866 -12.052 8.093 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.635 -12.509 9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.280 -10.988 9.040 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.478 -10.062 9.753 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.924 -11.601 10.463 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.062 -10.114 12.233 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.952 -11.453 12.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.618 -9.536 12.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.731 -9.938 10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.664 -8.667 11.022 1.00 0.00 H new ATOM 373 N THR A 24 -5.915 -14.439 5.979 1.00 0.00 N ATOM 374 CA THR A 24 -6.242 -14.827 4.575 1.00 0.00 C ATOM 375 C THR A 24 -6.489 -13.585 3.712 1.00 0.00 C ATOM 376 O THR A 24 -6.755 -12.511 4.213 1.00 0.00 O ATOM 377 CB THR A 24 -7.511 -15.698 4.555 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.652 -14.868 4.378 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.647 -16.460 5.872 1.00 0.00 C ATOM 0 H THR A 24 -6.690 -14.518 6.637 1.00 0.00 H new ATOM 0 HA THR A 24 -5.396 -15.384 4.173 1.00 0.00 H new ATOM 0 HB THR A 24 -7.438 -16.410 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.459 -15.363 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.548 -17.073 5.846 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.776 -17.101 6.013 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.714 -15.751 6.697 1.00 0.00 H new ATOM 387 N GLU A 25 -6.432 -13.737 2.417 1.00 0.00 N ATOM 388 CA GLU A 25 -6.692 -12.576 1.516 1.00 0.00 C ATOM 389 C GLU A 25 -8.063 -11.986 1.884 1.00 0.00 C ATOM 390 O GLU A 25 -8.229 -10.787 1.986 1.00 0.00 O ATOM 391 CB GLU A 25 -6.685 -13.054 0.059 1.00 0.00 C ATOM 392 CG GLU A 25 -6.589 -11.854 -0.886 1.00 0.00 C ATOM 393 CD GLU A 25 -7.018 -12.271 -2.295 1.00 0.00 C ATOM 394 OE1 GLU A 25 -6.162 -12.696 -3.053 1.00 0.00 O ATOM 395 OE2 GLU A 25 -8.197 -12.160 -2.591 1.00 0.00 O ATOM 0 H GLU A 25 -6.217 -14.614 1.943 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.922 -11.814 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.844 -13.727 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.592 -13.621 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.224 -11.044 -0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.568 -11.474 -0.904 1.00 0.00 H new ATOM 402 N LYS A 26 -9.046 -12.828 2.076 1.00 0.00 N ATOM 403 CA LYS A 26 -10.418 -12.343 2.430 1.00 0.00 C ATOM 404 C LYS A 26 -10.371 -11.453 3.686 1.00 0.00 C ATOM 405 O LYS A 26 -11.154 -10.535 3.826 1.00 0.00 O ATOM 406 CB LYS A 26 -11.339 -13.560 2.687 1.00 0.00 C ATOM 407 CG LYS A 26 -12.074 -13.967 1.399 1.00 0.00 C ATOM 408 CD LYS A 26 -13.112 -15.050 1.719 1.00 0.00 C ATOM 409 CE LYS A 26 -12.425 -16.277 2.335 1.00 0.00 C ATOM 410 NZ LYS A 26 -12.265 -16.072 3.802 1.00 0.00 N ATOM 0 H LYS A 26 -8.957 -13.841 2.002 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.809 -11.752 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.748 -14.399 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.064 -13.316 3.464 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.564 -13.099 0.958 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.361 -14.339 0.663 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.858 -14.657 2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.640 -15.338 0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.017 -17.172 2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.451 -16.434 1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.254 -16.004 4.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.745 -15.194 4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.684 -16.875 4.313 1.00 0.00 H new ATOM 424 N GLU A 27 -9.486 -11.719 4.602 1.00 0.00 N ATOM 425 CA GLU A 27 -9.432 -10.883 5.839 1.00 0.00 C ATOM 426 C GLU A 27 -8.774 -9.527 5.544 1.00 0.00 C ATOM 427 O GLU A 27 -9.154 -8.517 6.104 1.00 0.00 O ATOM 428 CB GLU A 27 -8.621 -11.604 6.919 1.00 0.00 C ATOM 429 CG GLU A 27 -9.411 -12.788 7.473 1.00 0.00 C ATOM 430 CD GLU A 27 -8.476 -13.700 8.270 1.00 0.00 C ATOM 431 OE1 GLU A 27 -7.348 -13.878 7.843 1.00 0.00 O ATOM 432 OE2 GLU A 27 -8.905 -14.206 9.294 1.00 0.00 O ATOM 0 H GLU A 27 -8.800 -12.473 4.553 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.452 -10.720 6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.676 -11.952 6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.378 -10.911 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.220 -12.432 8.111 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.871 -13.345 6.657 1.00 0.00 H new ATOM 439 N ILE A 28 -7.795 -9.484 4.687 1.00 0.00 N ATOM 440 CA ILE A 28 -7.126 -8.184 4.388 1.00 0.00 C ATOM 441 C ILE A 28 -8.125 -7.254 3.706 1.00 0.00 C ATOM 442 O ILE A 28 -8.173 -6.072 3.986 1.00 0.00 O ATOM 443 CB ILE A 28 -5.910 -8.472 3.491 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.205 -9.734 4.058 1.00 0.00 C ATOM 445 CG2 ILE A 28 -4.972 -7.257 3.462 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.679 -9.696 3.914 1.00 0.00 C ATOM 0 H ILE A 28 -7.428 -10.289 4.180 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.783 -7.692 5.298 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.214 -8.656 2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.460 -9.841 5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.589 -10.616 3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.115 -7.474 2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.508 -6.393 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.626 -7.040 4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.251 -10.608 4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.415 -9.620 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.284 -8.833 4.450 1.00 0.00 H new ATOM 458 N LEU A 29 -8.932 -7.770 2.830 1.00 0.00 N ATOM 459 CA LEU A 29 -9.934 -6.911 2.149 1.00 0.00 C ATOM 460 C LEU A 29 -11.059 -6.561 3.134 1.00 0.00 C ATOM 461 O LEU A 29 -11.654 -5.508 3.068 1.00 0.00 O ATOM 462 CB LEU A 29 -10.494 -7.671 0.948 1.00 0.00 C ATOM 463 CG LEU A 29 -9.331 -8.144 0.064 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.880 -9.023 -1.065 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.604 -6.927 -0.539 1.00 0.00 C ATOM 0 H LEU A 29 -8.942 -8.752 2.554 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.471 -5.986 1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.082 -8.525 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.164 -7.029 0.376 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.627 -8.717 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.058 -9.361 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.389 -9.887 -0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.584 -8.447 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.780 -7.269 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.303 -6.348 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.214 -6.301 0.264 1.00 0.00 H new ATOM 477 N ASP A 30 -11.335 -7.433 4.063 1.00 0.00 N ATOM 478 CA ASP A 30 -12.394 -7.135 5.072 1.00 0.00 C ATOM 479 C ASP A 30 -11.908 -5.977 5.953 1.00 0.00 C ATOM 480 O ASP A 30 -12.654 -5.075 6.276 1.00 0.00 O ATOM 481 CB ASP A 30 -12.651 -8.373 5.934 1.00 0.00 C ATOM 482 CG ASP A 30 -13.840 -8.110 6.860 1.00 0.00 C ATOM 483 OD1 ASP A 30 -14.960 -8.150 6.380 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.609 -7.874 8.035 1.00 0.00 O ATOM 0 H ASP A 30 -10.875 -8.337 4.169 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.323 -6.860 4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.854 -9.236 5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.764 -8.611 6.521 1.00 0.00 H new ATOM 489 N ALA A 31 -10.669 -6.009 6.361 1.00 0.00 N ATOM 490 CA ALA A 31 -10.135 -4.927 7.242 1.00 0.00 C ATOM 491 C ALA A 31 -10.026 -3.602 6.464 1.00 0.00 C ATOM 492 O ALA A 31 -10.069 -2.539 7.052 1.00 0.00 O ATOM 493 CB ALA A 31 -8.756 -5.352 7.757 1.00 0.00 C ATOM 0 H ALA A 31 -9.999 -6.740 6.122 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.813 -4.771 8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.352 -4.572 8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.849 -6.279 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.084 -5.508 6.913 1.00 0.00 H new ATOM 499 N PHE A 32 -9.918 -3.635 5.165 1.00 0.00 N ATOM 500 CA PHE A 32 -9.845 -2.355 4.386 1.00 0.00 C ATOM 501 C PHE A 32 -11.043 -1.470 4.746 1.00 0.00 C ATOM 502 O PHE A 32 -11.088 -0.305 4.406 1.00 0.00 O ATOM 503 CB PHE A 32 -9.890 -2.706 2.889 1.00 0.00 C ATOM 504 CG PHE A 32 -8.514 -3.112 2.367 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.463 -3.496 3.235 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.286 -3.086 0.985 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.214 -3.840 2.709 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.032 -3.431 0.468 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.998 -3.804 1.330 1.00 0.00 C ATOM 0 H PHE A 32 -9.877 -4.487 4.606 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.927 -1.817 4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.597 -3.520 2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.256 -1.849 2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.626 -3.523 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.082 -2.798 0.315 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.414 -4.135 3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.864 -3.409 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.030 -4.065 0.929 1.00 0.00 H new ATOM 519 N ASP A 33 -12.026 -2.018 5.404 1.00 0.00 N ATOM 520 CA ASP A 33 -13.231 -1.211 5.749 1.00 0.00 C ATOM 521 C ASP A 33 -12.981 -0.368 7.002 1.00 0.00 C ATOM 522 O ASP A 33 -13.681 0.595 7.248 1.00 0.00 O ATOM 523 CB ASP A 33 -14.409 -2.153 6.005 1.00 0.00 C ATOM 524 CG ASP A 33 -14.647 -3.018 4.766 1.00 0.00 C ATOM 525 OD1 ASP A 33 -13.708 -3.665 4.330 1.00 0.00 O ATOM 526 OD2 ASP A 33 -15.764 -3.021 4.274 1.00 0.00 O ATOM 0 H ASP A 33 -12.048 -2.988 5.718 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.453 -0.543 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.202 -2.785 6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.305 -1.578 6.238 1.00 0.00 H new ATOM 531 N LYS A 34 -11.989 -0.706 7.790 1.00 0.00 N ATOM 532 CA LYS A 34 -11.691 0.094 9.022 1.00 0.00 C ATOM 533 C LYS A 34 -10.191 0.405 9.079 1.00 0.00 C ATOM 534 O LYS A 34 -9.688 0.867 10.083 1.00 0.00 O ATOM 535 CB LYS A 34 -12.102 -0.694 10.270 1.00 0.00 C ATOM 536 CG LYS A 34 -11.480 -2.093 10.234 1.00 0.00 C ATOM 537 CD LYS A 34 -11.917 -2.899 11.472 1.00 0.00 C ATOM 538 CE LYS A 34 -13.260 -3.588 11.205 1.00 0.00 C ATOM 539 NZ LYS A 34 -13.122 -4.505 10.039 1.00 0.00 N ATOM 0 H LYS A 34 -11.371 -1.502 7.634 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.255 1.026 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.778 -0.166 11.167 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.188 -0.771 10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.786 -2.612 9.326 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.393 -2.016 10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.160 -3.644 11.717 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.004 -2.238 12.334 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.576 -4.147 12.086 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.031 -2.843 11.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.767 -5.313 10.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.360 -3.994 9.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.142 -4.849 9.982 1.00 0.00 H new ATOM 553 N MET A 35 -9.468 0.159 8.014 1.00 0.00 N ATOM 554 CA MET A 35 -8.002 0.452 8.032 1.00 0.00 C ATOM 555 C MET A 35 -7.799 1.951 7.777 1.00 0.00 C ATOM 556 O MET A 35 -6.991 2.581 8.431 1.00 0.00 O ATOM 557 CB MET A 35 -7.290 -0.391 6.940 1.00 0.00 C ATOM 558 CG MET A 35 -6.022 -1.091 7.482 1.00 0.00 C ATOM 559 SD MET A 35 -6.406 -2.806 7.940 1.00 0.00 S ATOM 560 CE MET A 35 -5.520 -3.627 6.584 1.00 0.00 C ATOM 0 H MET A 35 -9.826 -0.228 7.141 1.00 0.00 H new ATOM 0 HA MET A 35 -7.574 0.191 9.000 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.980 -1.141 6.553 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.019 0.254 6.104 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.237 -1.075 6.726 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.641 -0.551 8.349 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.974 -4.599 6.389 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.579 -3.012 5.686 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.475 -3.764 6.862 1.00 0.00 H new ATOM 570 N CYS A 36 -8.513 2.547 6.854 1.00 0.00 N ATOM 571 CA CYS A 36 -8.304 4.000 6.641 1.00 0.00 C ATOM 572 C CYS A 36 -8.742 4.694 7.926 1.00 0.00 C ATOM 573 O CYS A 36 -8.639 5.896 8.064 1.00 0.00 O ATOM 574 CB CYS A 36 -9.114 4.493 5.438 1.00 0.00 C ATOM 575 SG CYS A 36 -8.135 4.274 3.931 1.00 0.00 S ATOM 0 H CYS A 36 -9.210 2.101 6.258 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.259 4.221 6.422 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.049 3.938 5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.376 5.543 5.566 1.00 0.00 H new ATOM 580 N SER A 37 -9.234 3.940 8.872 1.00 0.00 N ATOM 581 CA SER A 37 -9.686 4.560 10.157 1.00 0.00 C ATOM 582 C SER A 37 -8.502 4.696 11.127 1.00 0.00 C ATOM 583 O SER A 37 -8.697 4.914 12.307 1.00 0.00 O ATOM 584 CB SER A 37 -10.763 3.681 10.794 1.00 0.00 C ATOM 585 OG SER A 37 -11.456 4.432 11.783 1.00 0.00 O ATOM 0 H SER A 37 -9.343 2.928 8.814 1.00 0.00 H new ATOM 0 HA SER A 37 -10.091 5.550 9.949 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.460 3.330 10.033 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.309 2.797 11.243 1.00 0.00 H new ATOM 0 HG SER A 37 -10.809 4.868 12.376 1.00 0.00 H new ATOM 591 N LYS A 38 -7.282 4.567 10.651 1.00 0.00 N ATOM 592 CA LYS A 38 -6.087 4.687 11.561 1.00 0.00 C ATOM 593 C LYS A 38 -5.185 5.850 11.107 1.00 0.00 C ATOM 594 O LYS A 38 -4.094 6.023 11.616 1.00 0.00 O ATOM 595 CB LYS A 38 -5.303 3.358 11.545 1.00 0.00 C ATOM 596 CG LYS A 38 -5.846 2.415 12.635 1.00 0.00 C ATOM 597 CD LYS A 38 -5.463 0.963 12.320 1.00 0.00 C ATOM 598 CE LYS A 38 -3.967 0.869 12.003 1.00 0.00 C ATOM 599 NZ LYS A 38 -3.516 -0.543 12.158 1.00 0.00 N ATOM 0 H LYS A 38 -7.060 4.384 9.672 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.423 4.895 12.577 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.391 2.886 10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.243 3.549 11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.444 2.702 13.607 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.930 2.507 12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.703 0.323 13.169 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.045 0.601 11.473 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.777 1.214 10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.401 1.519 12.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.501 -0.609 11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.684 -0.856 13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.048 -1.151 11.504 1.00 0.00 H new ATOM 613 N LEU A 39 -5.629 6.649 10.164 1.00 0.00 N ATOM 614 CA LEU A 39 -4.801 7.810 9.678 1.00 0.00 C ATOM 615 C LEU A 39 -5.551 9.117 9.999 1.00 0.00 C ATOM 616 O LEU A 39 -6.762 9.143 9.900 1.00 0.00 O ATOM 617 CB LEU A 39 -4.642 7.707 8.153 1.00 0.00 C ATOM 618 CG LEU A 39 -3.961 6.387 7.765 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.981 6.245 6.243 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.503 6.376 8.247 1.00 0.00 C ATOM 0 H LEU A 39 -6.534 6.549 9.705 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.824 7.799 10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.620 7.771 7.676 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.052 8.547 7.787 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.497 5.561 8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.499 5.310 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.013 6.243 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.446 7.081 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.033 5.434 7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.962 7.203 7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.477 6.483 9.331 1.00 0.00 H new ATOM 632 N PRO A 40 -4.847 10.182 10.361 1.00 0.00 N ATOM 633 CA PRO A 40 -5.518 11.456 10.661 1.00 0.00 C ATOM 634 C PRO A 40 -6.572 11.763 9.580 1.00 0.00 C ATOM 635 O PRO A 40 -6.512 11.220 8.495 1.00 0.00 O ATOM 636 CB PRO A 40 -4.379 12.502 10.719 1.00 0.00 C ATOM 637 CG PRO A 40 -3.036 11.717 10.719 1.00 0.00 C ATOM 638 CD PRO A 40 -3.372 10.224 10.508 1.00 0.00 C ATOM 0 HA PRO A 40 -6.069 11.446 11.602 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.431 13.176 9.864 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.466 13.117 11.615 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.381 12.078 9.927 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.507 11.862 11.661 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.875 9.829 9.622 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.042 9.621 11.354 1.00 0.00 H new ATOM 646 N LYS A 41 -7.547 12.587 9.848 1.00 0.00 N ATOM 647 CA LYS A 41 -8.579 12.848 8.803 1.00 0.00 C ATOM 648 C LYS A 41 -7.979 13.561 7.587 1.00 0.00 C ATOM 649 O LYS A 41 -8.605 13.661 6.550 1.00 0.00 O ATOM 650 CB LYS A 41 -9.711 13.699 9.386 1.00 0.00 C ATOM 651 CG LYS A 41 -11.007 13.484 8.572 1.00 0.00 C ATOM 652 CD LYS A 41 -11.773 12.256 9.102 1.00 0.00 C ATOM 653 CE LYS A 41 -12.664 12.655 10.287 1.00 0.00 C ATOM 654 NZ LYS A 41 -12.986 11.445 11.094 1.00 0.00 N ATOM 0 H LYS A 41 -7.674 13.084 10.730 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.971 11.885 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.878 13.431 10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.431 14.752 9.368 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.637 14.371 8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.764 13.343 7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.384 11.829 8.307 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.068 11.485 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.155 13.394 10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.582 13.120 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.590 11.714 11.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.488 10.755 10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.106 11.020 11.449 1.00 0.00 H new ATOM 668 N SER A 42 -6.812 14.126 7.722 1.00 0.00 N ATOM 669 CA SER A 42 -6.239 14.907 6.588 1.00 0.00 C ATOM 670 C SER A 42 -5.790 14.028 5.419 1.00 0.00 C ATOM 671 O SER A 42 -5.576 14.509 4.324 1.00 0.00 O ATOM 672 CB SER A 42 -5.086 15.784 7.071 1.00 0.00 C ATOM 673 OG SER A 42 -4.043 14.956 7.571 1.00 0.00 O ATOM 0 H SER A 42 -6.233 14.082 8.561 1.00 0.00 H new ATOM 0 HA SER A 42 -7.042 15.540 6.210 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.715 16.401 6.252 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.432 16.463 7.850 1.00 0.00 H new ATOM 0 HG SER A 42 -3.301 15.516 7.880 1.00 0.00 H new ATOM 679 N LEU A 43 -5.669 12.740 5.637 1.00 0.00 N ATOM 680 CA LEU A 43 -5.260 11.809 4.529 1.00 0.00 C ATOM 681 C LEU A 43 -6.431 10.875 4.218 1.00 0.00 C ATOM 682 O LEU A 43 -6.330 10.024 3.358 1.00 0.00 O ATOM 683 CB LEU A 43 -4.053 10.953 4.947 1.00 0.00 C ATOM 684 CG LEU A 43 -2.966 11.810 5.591 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.735 10.949 5.882 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.572 12.956 4.654 1.00 0.00 C ATOM 0 H LEU A 43 -5.836 12.289 6.537 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.987 12.403 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.375 10.183 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.647 10.441 4.075 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.352 12.225 6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.961 11.564 6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.008 10.142 6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.358 10.527 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.796 13.560 5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.195 12.546 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.444 13.578 4.453 1.00 0.00 H new ATOM 698 N SER A 44 -7.531 11.012 4.930 1.00 0.00 N ATOM 699 CA SER A 44 -8.714 10.117 4.700 1.00 0.00 C ATOM 700 C SER A 44 -8.863 9.809 3.209 1.00 0.00 C ATOM 701 O SER A 44 -8.725 8.694 2.753 1.00 0.00 O ATOM 702 CB SER A 44 -9.982 10.799 5.214 1.00 0.00 C ATOM 703 OG SER A 44 -10.072 12.104 4.657 1.00 0.00 O ATOM 0 H SER A 44 -7.659 11.709 5.663 1.00 0.00 H new ATOM 0 HA SER A 44 -8.560 9.182 5.239 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.860 10.213 4.941 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.962 10.856 6.302 1.00 0.00 H new ATOM 0 HG SER A 44 -9.596 12.739 5.233 1.00 0.00 H new ATOM 709 N GLU A 45 -9.304 10.809 2.500 1.00 0.00 N ATOM 710 CA GLU A 45 -9.682 10.700 1.065 1.00 0.00 C ATOM 711 C GLU A 45 -8.673 10.090 0.106 1.00 0.00 C ATOM 712 O GLU A 45 -8.972 9.170 -0.631 1.00 0.00 O ATOM 713 CB GLU A 45 -9.954 12.118 0.561 1.00 0.00 C ATOM 714 CG GLU A 45 -11.089 12.750 1.370 1.00 0.00 C ATOM 715 CD GLU A 45 -12.405 12.044 1.041 1.00 0.00 C ATOM 716 OE1 GLU A 45 -12.698 11.898 -0.135 1.00 0.00 O ATOM 717 OE2 GLU A 45 -13.098 11.661 1.969 1.00 0.00 O ATOM 0 H GLU A 45 -9.423 11.748 2.881 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.529 10.014 1.061 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.052 12.724 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.219 12.093 -0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.878 12.670 2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.166 13.812 1.139 1.00 0.00 H new ATOM 724 N GLU A 46 -7.482 10.589 0.113 1.00 0.00 N ATOM 725 CA GLU A 46 -6.448 10.040 -0.787 1.00 0.00 C ATOM 726 C GLU A 46 -6.288 8.544 -0.526 1.00 0.00 C ATOM 727 O GLU A 46 -5.856 7.806 -1.382 1.00 0.00 O ATOM 728 CB GLU A 46 -5.126 10.766 -0.527 1.00 0.00 C ATOM 729 CG GLU A 46 -5.388 12.258 -0.279 1.00 0.00 C ATOM 730 CD GLU A 46 -6.307 12.818 -1.369 1.00 0.00 C ATOM 731 OE1 GLU A 46 -7.505 12.612 -1.268 1.00 0.00 O ATOM 732 OE2 GLU A 46 -5.796 13.440 -2.285 1.00 0.00 O ATOM 0 H GLU A 46 -7.176 11.359 0.707 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.742 10.186 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.624 10.328 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.459 10.642 -1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.846 12.397 0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.445 12.805 -0.271 1.00 0.00 H new ATOM 739 N CYS A 47 -6.648 8.083 0.636 1.00 0.00 N ATOM 740 CA CYS A 47 -6.521 6.627 0.914 1.00 0.00 C ATOM 741 C CYS A 47 -7.685 5.904 0.236 1.00 0.00 C ATOM 742 O CYS A 47 -7.515 4.873 -0.382 1.00 0.00 O ATOM 743 CB CYS A 47 -6.544 6.387 2.437 1.00 0.00 C ATOM 744 SG CYS A 47 -8.236 6.073 3.023 1.00 0.00 S ATOM 0 H CYS A 47 -7.022 8.645 1.401 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.578 6.244 0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.906 5.538 2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.133 7.255 2.952 1.00 0.00 H new ATOM 749 N GLN A 48 -8.865 6.435 0.357 1.00 0.00 N ATOM 750 CA GLN A 48 -10.037 5.773 -0.272 1.00 0.00 C ATOM 751 C GLN A 48 -9.745 5.538 -1.752 1.00 0.00 C ATOM 752 O GLN A 48 -10.037 4.491 -2.295 1.00 0.00 O ATOM 753 CB GLN A 48 -11.275 6.665 -0.122 1.00 0.00 C ATOM 754 CG GLN A 48 -12.521 5.919 -0.617 1.00 0.00 C ATOM 755 CD GLN A 48 -12.559 5.931 -2.147 1.00 0.00 C ATOM 756 OE1 GLN A 48 -12.644 4.893 -2.773 1.00 0.00 O ATOM 757 NE2 GLN A 48 -12.498 7.071 -2.781 1.00 0.00 N ATOM 0 H GLN A 48 -9.069 7.297 0.863 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.226 4.818 0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.403 6.951 0.922 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.142 7.585 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.510 4.892 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.420 6.389 -0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -12.427 7.943 -2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.522 7.089 -3.801 1.00 0.00 H new ATOM 766 N GLU A 49 -9.178 6.510 -2.412 1.00 0.00 N ATOM 767 CA GLU A 49 -8.876 6.352 -3.858 1.00 0.00 C ATOM 768 C GLU A 49 -7.775 5.310 -4.061 1.00 0.00 C ATOM 769 O GLU A 49 -7.828 4.508 -4.974 1.00 0.00 O ATOM 770 CB GLU A 49 -8.419 7.696 -4.429 1.00 0.00 C ATOM 771 CG GLU A 49 -8.001 7.516 -5.890 1.00 0.00 C ATOM 772 CD GLU A 49 -7.842 8.888 -6.548 1.00 0.00 C ATOM 773 OE1 GLU A 49 -7.254 9.757 -5.925 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.312 9.048 -7.662 1.00 0.00 O ATOM 0 H GLU A 49 -8.911 7.408 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.776 6.017 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.225 8.426 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.584 8.085 -3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.063 6.963 -5.946 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.749 6.929 -6.424 1.00 0.00 H new ATOM 781 N VAL A 50 -6.777 5.302 -3.214 1.00 0.00 N ATOM 782 CA VAL A 50 -5.690 4.299 -3.369 1.00 0.00 C ATOM 783 C VAL A 50 -6.234 2.914 -3.037 1.00 0.00 C ATOM 784 O VAL A 50 -6.070 1.975 -3.791 1.00 0.00 O ATOM 785 CB VAL A 50 -4.519 4.605 -2.425 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.408 3.571 -2.642 1.00 0.00 C ATOM 787 CG2 VAL A 50 -3.974 6.020 -2.703 1.00 0.00 C ATOM 0 H VAL A 50 -6.671 5.944 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.333 4.337 -4.398 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.866 4.556 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.575 3.786 -1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.794 2.573 -2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.064 3.618 -3.675 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.143 6.229 -2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.628 6.080 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.765 6.753 -2.542 1.00 0.00 H new ATOM 797 N VAL A 51 -6.848 2.766 -1.891 1.00 0.00 N ATOM 798 CA VAL A 51 -7.360 1.428 -1.497 1.00 0.00 C ATOM 799 C VAL A 51 -8.393 0.935 -2.519 1.00 0.00 C ATOM 800 O VAL A 51 -8.318 -0.168 -3.019 1.00 0.00 O ATOM 801 CB VAL A 51 -7.928 1.497 -0.072 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.349 0.109 0.396 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.859 2.046 0.882 1.00 0.00 C ATOM 0 H VAL A 51 -7.014 3.513 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.547 0.702 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.797 2.155 -0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.750 0.172 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.114 -0.284 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.485 -0.555 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.264 2.094 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.989 1.389 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.564 3.045 0.561 1.00 0.00 H new ATOM 813 N ASP A 52 -9.394 1.737 -2.776 1.00 0.00 N ATOM 814 CA ASP A 52 -10.496 1.327 -3.700 1.00 0.00 C ATOM 815 C ASP A 52 -10.001 1.094 -5.129 1.00 0.00 C ATOM 816 O ASP A 52 -10.397 0.152 -5.786 1.00 0.00 O ATOM 817 CB ASP A 52 -11.562 2.427 -3.714 1.00 0.00 C ATOM 818 CG ASP A 52 -12.743 1.981 -4.578 1.00 0.00 C ATOM 819 OD1 ASP A 52 -12.643 2.096 -5.788 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.727 1.532 -4.015 1.00 0.00 O ATOM 0 H ASP A 52 -9.497 2.671 -2.380 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.905 0.385 -3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.899 2.635 -2.698 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.140 3.352 -4.106 1.00 0.00 H new ATOM 825 N THR A 53 -9.158 1.955 -5.627 1.00 0.00 N ATOM 826 CA THR A 53 -8.663 1.798 -7.023 1.00 0.00 C ATOM 827 C THR A 53 -7.460 0.863 -7.068 1.00 0.00 C ATOM 828 O THR A 53 -7.333 0.076 -7.985 1.00 0.00 O ATOM 829 CB THR A 53 -8.260 3.170 -7.567 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.312 4.097 -7.337 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.987 3.068 -9.069 1.00 0.00 C ATOM 0 H THR A 53 -8.789 2.763 -5.126 1.00 0.00 H new ATOM 0 HA THR A 53 -9.458 1.369 -7.633 1.00 0.00 H new ATOM 0 HB THR A 53 -7.357 3.510 -7.059 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.173 4.543 -6.475 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.700 4.047 -9.454 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.179 2.358 -9.245 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.887 2.727 -9.580 1.00 0.00 H new ATOM 839 N TYR A 54 -6.559 0.953 -6.123 1.00 0.00 N ATOM 840 CA TYR A 54 -5.344 0.076 -6.163 1.00 0.00 C ATOM 841 C TYR A 54 -5.345 -0.976 -5.049 1.00 0.00 C ATOM 842 O TYR A 54 -4.314 -1.348 -4.530 1.00 0.00 O ATOM 843 CB TYR A 54 -4.104 0.948 -6.035 1.00 0.00 C ATOM 844 CG TYR A 54 -3.982 1.829 -7.257 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.585 3.087 -7.264 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.267 1.392 -8.378 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.479 3.915 -8.381 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.156 2.220 -9.503 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.763 3.484 -9.504 1.00 0.00 C ATOM 850 OH TYR A 54 -3.655 4.301 -10.611 1.00 0.00 O ATOM 0 H TYR A 54 -6.609 1.591 -5.329 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.348 -0.459 -7.113 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.168 1.561 -5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.216 0.324 -5.933 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.138 3.422 -6.399 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.801 0.418 -8.376 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.949 4.888 -8.380 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.604 1.885 -10.368 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.124 3.850 -11.300 1.00 0.00 H new ATOM 860 N GLY A 55 -6.505 -1.423 -4.649 1.00 0.00 N ATOM 861 CA GLY A 55 -6.587 -2.411 -3.536 1.00 0.00 C ATOM 862 C GLY A 55 -6.297 -3.830 -4.017 1.00 0.00 C ATOM 863 O GLY A 55 -5.438 -4.504 -3.483 1.00 0.00 O ATOM 0 H GLY A 55 -7.402 -1.145 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.876 -2.139 -2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.581 -2.374 -3.089 1.00 0.00 H new ATOM 867 N SER A 56 -7.009 -4.316 -5.000 1.00 0.00 N ATOM 868 CA SER A 56 -6.747 -5.707 -5.448 1.00 0.00 C ATOM 869 C SER A 56 -5.361 -5.791 -6.064 1.00 0.00 C ATOM 870 O SER A 56 -4.733 -6.831 -6.080 1.00 0.00 O ATOM 871 CB SER A 56 -7.781 -6.143 -6.483 1.00 0.00 C ATOM 872 OG SER A 56 -9.051 -5.604 -6.140 1.00 0.00 O ATOM 0 H SER A 56 -7.745 -3.819 -5.501 1.00 0.00 H new ATOM 0 HA SER A 56 -6.812 -6.367 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.485 -5.801 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.835 -7.231 -6.523 1.00 0.00 H new ATOM 0 HG SER A 56 -9.715 -5.882 -6.805 1.00 0.00 H new ATOM 878 N SER A 57 -4.910 -4.709 -6.642 1.00 0.00 N ATOM 879 CA SER A 57 -3.601 -4.748 -7.338 1.00 0.00 C ATOM 880 C SER A 57 -2.443 -4.747 -6.343 1.00 0.00 C ATOM 881 O SER A 57 -1.559 -5.568 -6.423 1.00 0.00 O ATOM 882 CB SER A 57 -3.475 -3.581 -8.318 1.00 0.00 C ATOM 883 OG SER A 57 -3.601 -2.356 -7.607 1.00 0.00 O ATOM 0 H SER A 57 -5.390 -3.809 -6.660 1.00 0.00 H new ATOM 0 HA SER A 57 -3.552 -5.679 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.513 -3.622 -8.828 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.246 -3.651 -9.086 1.00 0.00 H new ATOM 0 HG SER A 57 -3.519 -1.605 -8.232 1.00 0.00 H new ATOM 889 N ILE A 58 -2.468 -3.872 -5.371 1.00 0.00 N ATOM 890 CA ILE A 58 -1.384 -3.871 -4.351 1.00 0.00 C ATOM 891 C ILE A 58 -1.329 -5.254 -3.708 1.00 0.00 C ATOM 892 O ILE A 58 -0.312 -5.916 -3.665 1.00 0.00 O ATOM 893 CB ILE A 58 -1.691 -2.822 -3.258 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.417 -1.410 -3.812 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.797 -3.084 -2.029 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.805 -0.337 -2.778 1.00 0.00 C ATOM 0 H ILE A 58 -3.189 -3.163 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.433 -3.627 -4.824 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.738 -2.896 -2.963 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.362 -1.312 -4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.983 -1.258 -4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.013 -2.345 -1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.996 -4.083 -1.640 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.251 -3.010 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.604 0.653 -3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.866 -0.424 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.220 -0.479 -1.869 1.00 0.00 H new ATOM 908 N LEU A 59 -2.451 -5.660 -3.198 1.00 0.00 N ATOM 909 CA LEU A 59 -2.570 -6.973 -2.521 1.00 0.00 C ATOM 910 C LEU A 59 -2.211 -8.093 -3.499 1.00 0.00 C ATOM 911 O LEU A 59 -1.847 -9.175 -3.090 1.00 0.00 O ATOM 912 CB LEU A 59 -4.020 -7.123 -2.040 1.00 0.00 C ATOM 913 CG LEU A 59 -4.270 -8.526 -1.468 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.234 -8.838 -0.376 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.690 -8.595 -0.865 1.00 0.00 C ATOM 0 H LEU A 59 -3.316 -5.120 -3.223 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.888 -7.034 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.233 -6.373 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.703 -6.938 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.179 -9.259 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.417 -9.835 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.232 -8.797 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.317 -8.103 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.865 -9.592 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.783 -7.858 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.426 -8.385 -1.641 1.00 0.00 H new ATOM 927 N SER A 60 -2.332 -7.887 -4.783 1.00 0.00 N ATOM 928 CA SER A 60 -2.016 -9.013 -5.714 1.00 0.00 C ATOM 929 C SER A 60 -0.499 -9.123 -5.925 1.00 0.00 C ATOM 930 O SER A 60 0.046 -10.199 -6.068 1.00 0.00 O ATOM 931 CB SER A 60 -2.706 -8.757 -7.051 1.00 0.00 C ATOM 932 OG SER A 60 -4.091 -9.055 -6.930 1.00 0.00 O ATOM 0 H SER A 60 -2.627 -7.014 -5.220 1.00 0.00 H new ATOM 0 HA SER A 60 -2.373 -9.949 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.571 -7.718 -7.350 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.256 -9.374 -7.829 1.00 0.00 H new ATOM 0 HG SER A 60 -4.607 -8.222 -6.935 1.00 0.00 H new ATOM 938 N ILE A 61 0.179 -8.004 -5.950 1.00 0.00 N ATOM 939 CA ILE A 61 1.661 -8.008 -6.156 1.00 0.00 C ATOM 940 C ILE A 61 2.368 -8.594 -4.929 1.00 0.00 C ATOM 941 O ILE A 61 3.265 -9.406 -5.043 1.00 0.00 O ATOM 942 CB ILE A 61 2.140 -6.561 -6.360 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.191 -5.816 -7.358 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.590 -6.585 -6.857 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.969 -5.090 -8.467 1.00 0.00 C ATOM 0 H ILE A 61 -0.234 -7.078 -5.835 1.00 0.00 H new ATOM 0 HA ILE A 61 1.897 -8.616 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 61 2.108 -6.014 -5.418 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.505 -6.533 -7.808 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.584 -5.095 -6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.941 -5.564 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.220 -7.081 -6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.642 -7.127 -7.801 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.268 -4.588 -9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.636 -4.353 -8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.555 -5.814 -9.034 1.00 0.00 H new ATOM 957 N LEU A 62 1.985 -8.164 -3.761 1.00 0.00 N ATOM 958 CA LEU A 62 2.641 -8.659 -2.518 1.00 0.00 C ATOM 959 C LEU A 62 2.749 -10.189 -2.538 1.00 0.00 C ATOM 960 O LEU A 62 3.692 -10.758 -2.025 1.00 0.00 O ATOM 961 CB LEU A 62 1.796 -8.217 -1.311 1.00 0.00 C ATOM 962 CG LEU A 62 2.133 -6.751 -0.926 1.00 0.00 C ATOM 963 CD1 LEU A 62 0.854 -6.005 -0.525 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.116 -6.735 0.253 1.00 0.00 C ATOM 0 H LEU A 62 1.239 -7.485 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 62 3.647 -8.245 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.736 -8.303 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.987 -8.876 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 62 2.585 -6.258 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.101 -4.978 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.156 -6.004 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.395 -6.503 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.349 -5.704 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.666 -7.237 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.033 -7.252 -0.030 1.00 0.00 H new ATOM 976 N LEU A 63 1.785 -10.856 -3.105 1.00 0.00 N ATOM 977 CA LEU A 63 1.826 -12.344 -3.132 1.00 0.00 C ATOM 978 C LEU A 63 2.816 -12.841 -4.187 1.00 0.00 C ATOM 979 O LEU A 63 3.191 -13.996 -4.190 1.00 0.00 O ATOM 980 CB LEU A 63 0.426 -12.893 -3.414 1.00 0.00 C ATOM 981 CG LEU A 63 -0.588 -12.220 -2.481 1.00 0.00 C ATOM 982 CD1 LEU A 63 -1.957 -12.882 -2.654 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.130 -12.362 -1.023 1.00 0.00 C ATOM 0 H LEU A 63 0.970 -10.436 -3.551 1.00 0.00 H new ATOM 0 HA LEU A 63 2.162 -12.703 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.155 -12.710 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.411 -13.973 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.660 -11.162 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.679 -12.404 -1.991 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.286 -12.773 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.883 -13.941 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.855 -11.882 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.052 -13.419 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.843 -11.886 -0.899 1.00 0.00 H new ATOM 995 N GLU A 64 3.252 -11.993 -5.085 1.00 0.00 N ATOM 996 CA GLU A 64 4.219 -12.457 -6.124 1.00 0.00 C ATOM 997 C GLU A 64 5.637 -12.343 -5.560 1.00 0.00 C ATOM 998 O GLU A 64 6.602 -12.183 -6.280 1.00 0.00 O ATOM 999 CB GLU A 64 4.076 -11.620 -7.400 1.00 0.00 C ATOM 1000 CG GLU A 64 2.856 -12.083 -8.198 1.00 0.00 C ATOM 1001 CD GLU A 64 2.836 -11.375 -9.554 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.196 -10.210 -9.597 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.461 -12.010 -10.526 1.00 0.00 O ATOM 0 H GLU A 64 2.983 -11.011 -5.143 1.00 0.00 H new ATOM 0 HA GLU A 64 4.012 -13.495 -6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.974 -10.566 -7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.975 -11.714 -8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.889 -13.163 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.942 -11.862 -7.647 1.00 0.00 H new ATOM 1010 N GLU A 65 5.754 -12.479 -4.267 1.00 0.00 N ATOM 1011 CA GLU A 65 7.094 -12.444 -3.616 1.00 0.00 C ATOM 1012 C GLU A 65 7.928 -11.239 -4.069 1.00 0.00 C ATOM 1013 O GLU A 65 9.141 -11.289 -4.108 1.00 0.00 O ATOM 1014 CB GLU A 65 7.844 -13.710 -4.038 1.00 0.00 C ATOM 1015 CG GLU A 65 7.120 -14.940 -3.488 1.00 0.00 C ATOM 1016 CD GLU A 65 7.314 -15.014 -1.973 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.425 -15.296 -1.551 1.00 0.00 O ATOM 1018 OE2 GLU A 65 6.352 -14.787 -1.259 1.00 0.00 O ATOM 0 H GLU A 65 4.970 -12.614 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 65 6.950 -12.375 -2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.903 -13.765 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.868 -13.680 -3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.058 -14.886 -3.727 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.507 -15.843 -3.959 1.00 0.00 H new ATOM 1025 N VAL A 66 7.283 -10.147 -4.381 1.00 0.00 N ATOM 1026 CA VAL A 66 8.018 -8.910 -4.799 1.00 0.00 C ATOM 1027 C VAL A 66 8.282 -8.062 -3.541 1.00 0.00 C ATOM 1028 O VAL A 66 7.474 -8.026 -2.634 1.00 0.00 O ATOM 1029 CB VAL A 66 7.136 -8.139 -5.808 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.420 -6.631 -5.756 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.411 -8.646 -7.231 1.00 0.00 C ATOM 0 H VAL A 66 6.267 -10.055 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 66 8.970 -9.149 -5.273 1.00 0.00 H new ATOM 0 HB VAL A 66 6.093 -8.310 -5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.785 -6.116 -6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.211 -6.256 -4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.467 -6.449 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.787 -8.100 -7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.461 -8.489 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.180 -9.710 -7.289 1.00 0.00 H new ATOM 1041 N SER A 67 9.402 -7.385 -3.468 1.00 0.00 N ATOM 1042 CA SER A 67 9.686 -6.559 -2.254 1.00 0.00 C ATOM 1043 C SER A 67 8.513 -5.584 -2.016 1.00 0.00 C ATOM 1044 O SER A 67 7.902 -5.139 -2.968 1.00 0.00 O ATOM 1045 CB SER A 67 10.973 -5.756 -2.453 1.00 0.00 C ATOM 1046 OG SER A 67 10.659 -4.517 -3.070 1.00 0.00 O ATOM 0 H SER A 67 10.124 -7.368 -4.188 1.00 0.00 H new ATOM 0 HA SER A 67 9.804 -7.218 -1.394 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.461 -5.585 -1.494 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.674 -6.317 -3.072 1.00 0.00 H new ATOM 0 HG SER A 67 11.304 -3.837 -2.784 1.00 0.00 H new ATOM 1052 N PRO A 68 8.213 -5.271 -0.765 1.00 0.00 N ATOM 1053 CA PRO A 68 7.101 -4.350 -0.448 1.00 0.00 C ATOM 1054 C PRO A 68 7.323 -2.931 -1.016 1.00 0.00 C ATOM 1055 O PRO A 68 6.385 -2.269 -1.398 1.00 0.00 O ATOM 1056 CB PRO A 68 7.053 -4.303 1.100 1.00 0.00 C ATOM 1057 CG PRO A 68 8.246 -5.137 1.635 1.00 0.00 C ATOM 1058 CD PRO A 68 8.925 -5.806 0.423 1.00 0.00 C ATOM 0 HA PRO A 68 6.171 -4.700 -0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.117 -3.274 1.453 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.109 -4.708 1.466 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.952 -4.499 2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.900 -5.889 2.344 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.988 -5.568 0.386 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.843 -6.892 0.475 1.00 0.00 H new ATOM 1066 N GLU A 69 8.530 -2.432 -1.031 1.00 0.00 N ATOM 1067 CA GLU A 69 8.743 -1.033 -1.533 1.00 0.00 C ATOM 1068 C GLU A 69 8.749 -1.003 -3.071 1.00 0.00 C ATOM 1069 O GLU A 69 8.565 0.041 -3.687 1.00 0.00 O ATOM 1070 CB GLU A 69 10.072 -0.466 -0.970 1.00 0.00 C ATOM 1071 CG GLU A 69 10.978 -1.604 -0.483 1.00 0.00 C ATOM 1072 CD GLU A 69 10.437 -2.163 0.834 1.00 0.00 C ATOM 1073 OE1 GLU A 69 9.461 -1.622 1.328 1.00 0.00 O ATOM 1074 OE2 GLU A 69 11.006 -3.123 1.327 1.00 0.00 O ATOM 0 H GLU A 69 9.371 -2.921 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 69 7.920 -0.408 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.584 0.110 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.863 0.218 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.023 -2.393 -1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.995 -1.238 -0.344 1.00 0.00 H new ATOM 1081 N LEU A 70 8.916 -2.125 -3.708 1.00 0.00 N ATOM 1082 CA LEU A 70 8.896 -2.108 -5.193 1.00 0.00 C ATOM 1083 C LEU A 70 7.443 -1.871 -5.625 1.00 0.00 C ATOM 1084 O LEU A 70 7.158 -1.576 -6.769 1.00 0.00 O ATOM 1085 CB LEU A 70 9.447 -3.429 -5.760 1.00 0.00 C ATOM 1086 CG LEU A 70 10.987 -3.445 -5.685 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.504 -4.886 -5.802 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.606 -2.620 -6.826 1.00 0.00 C ATOM 0 H LEU A 70 9.063 -3.037 -3.275 1.00 0.00 H new ATOM 0 HA LEU A 70 9.535 -1.315 -5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.040 -4.271 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.126 -3.550 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 70 11.274 -3.012 -4.727 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.593 -4.887 -5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.099 -5.485 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.187 -5.310 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.693 -2.649 -6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.300 -3.038 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.265 -1.587 -6.755 1.00 0.00 H new ATOM 1100 N VAL A 71 6.521 -2.035 -4.704 1.00 0.00 N ATOM 1101 CA VAL A 71 5.075 -1.861 -5.039 1.00 0.00 C ATOM 1102 C VAL A 71 4.767 -0.403 -5.388 1.00 0.00 C ATOM 1103 O VAL A 71 4.231 -0.123 -6.439 1.00 0.00 O ATOM 1104 CB VAL A 71 4.203 -2.323 -3.845 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.798 -1.677 -3.876 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.068 -3.850 -3.876 1.00 0.00 C ATOM 0 H VAL A 71 6.711 -2.283 -3.733 1.00 0.00 H new ATOM 0 HA VAL A 71 4.844 -2.473 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 71 4.695 -2.006 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.218 -2.027 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.895 -0.592 -3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.290 -1.956 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.455 -4.178 -3.037 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.597 -4.155 -4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.056 -4.304 -3.803 1.00 0.00 H new ATOM 1116 N CYS A 72 5.047 0.532 -4.527 1.00 0.00 N ATOM 1117 CA CYS A 72 4.686 1.931 -4.870 1.00 0.00 C ATOM 1118 C CYS A 72 5.488 2.388 -6.104 1.00 0.00 C ATOM 1119 O CYS A 72 5.048 3.227 -6.864 1.00 0.00 O ATOM 1120 CB CYS A 72 4.958 2.835 -3.655 1.00 0.00 C ATOM 1121 SG CYS A 72 4.306 2.062 -2.148 1.00 0.00 S ATOM 0 H CYS A 72 5.499 0.394 -3.623 1.00 0.00 H new ATOM 0 HA CYS A 72 3.627 1.996 -5.118 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.029 3.006 -3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.492 3.809 -3.805 1.00 0.00 H new ATOM 1126 N SER A 73 6.663 1.830 -6.312 1.00 0.00 N ATOM 1127 CA SER A 73 7.480 2.235 -7.508 1.00 0.00 C ATOM 1128 C SER A 73 6.932 1.593 -8.807 1.00 0.00 C ATOM 1129 O SER A 73 6.927 2.218 -9.849 1.00 0.00 O ATOM 1130 CB SER A 73 8.938 1.821 -7.305 1.00 0.00 C ATOM 1131 OG SER A 73 9.771 2.606 -8.149 1.00 0.00 O ATOM 0 H SER A 73 7.087 1.121 -5.714 1.00 0.00 H new ATOM 0 HA SER A 73 7.416 3.318 -7.610 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.225 1.958 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.063 0.763 -7.534 1.00 0.00 H new ATOM 0 HG SER A 73 10.707 2.344 -8.020 1.00 0.00 H new ATOM 1137 N MET A 74 6.482 0.365 -8.770 1.00 0.00 N ATOM 1138 CA MET A 74 5.953 -0.286 -10.023 1.00 0.00 C ATOM 1139 C MET A 74 4.585 0.306 -10.418 1.00 0.00 C ATOM 1140 O MET A 74 4.317 0.513 -11.585 1.00 0.00 O ATOM 1141 CB MET A 74 5.804 -1.820 -9.793 1.00 0.00 C ATOM 1142 CG MET A 74 6.993 -2.598 -10.391 1.00 0.00 C ATOM 1143 SD MET A 74 6.553 -4.348 -10.588 1.00 0.00 S ATOM 1144 CE MET A 74 5.721 -4.601 -8.999 1.00 0.00 C ATOM 0 H MET A 74 6.455 -0.219 -7.934 1.00 0.00 H new ATOM 0 HA MET A 74 6.660 -0.097 -10.831 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.735 -2.024 -8.724 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.875 -2.168 -10.245 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.268 -2.173 -11.356 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.863 -2.504 -9.742 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.722 -5.663 -8.753 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.246 -4.047 -8.221 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.693 -4.245 -9.066 1.00 0.00 H new ATOM 1154 N LEU A 75 3.714 0.557 -9.486 1.00 0.00 N ATOM 1155 CA LEU A 75 2.375 1.105 -9.867 1.00 0.00 C ATOM 1156 C LEU A 75 2.506 2.558 -10.347 1.00 0.00 C ATOM 1157 O LEU A 75 1.542 3.295 -10.391 1.00 0.00 O ATOM 1158 CB LEU A 75 1.426 1.029 -8.662 1.00 0.00 C ATOM 1159 CG LEU A 75 1.386 -0.406 -8.103 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.303 -0.509 -7.027 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.084 -1.411 -9.225 1.00 0.00 C ATOM 0 H LEU A 75 3.862 0.411 -8.487 1.00 0.00 H new ATOM 0 HA LEU A 75 1.968 0.509 -10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.756 1.720 -7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.424 1.339 -8.959 1.00 0.00 H new ATOM 0 HG LEU A 75 2.359 -0.639 -7.671 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.277 -1.525 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.526 0.188 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.666 -0.263 -7.461 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.059 -2.420 -8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.118 -1.178 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.861 -1.349 -9.987 1.00 0.00 H new ATOM 1173 N HIS A 76 3.693 2.978 -10.703 1.00 0.00 N ATOM 1174 CA HIS A 76 3.890 4.387 -11.175 1.00 0.00 C ATOM 1175 C HIS A 76 3.177 5.340 -10.207 1.00 0.00 C ATOM 1176 O HIS A 76 2.847 6.454 -10.563 1.00 0.00 O ATOM 1177 CB HIS A 76 3.333 4.548 -12.596 1.00 0.00 C ATOM 1178 CG HIS A 76 4.054 3.607 -13.522 1.00 0.00 C ATOM 1179 ND1 HIS A 76 3.426 3.009 -14.604 1.00 0.00 N ATOM 1180 CD2 HIS A 76 5.348 3.149 -13.540 1.00 0.00 C ATOM 1181 CE1 HIS A 76 4.335 2.233 -15.221 1.00 0.00 C ATOM 1182 NE2 HIS A 76 5.523 2.282 -14.614 1.00 0.00 N ATOM 0 H HIS A 76 4.538 2.407 -10.688 1.00 0.00 H new ATOM 0 HA HIS A 76 4.954 4.624 -11.197 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.264 4.338 -12.606 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.459 5.577 -12.934 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.114 3.420 -12.829 1.00 0.00 H new ATOM 0 HE1 HIS A 76 4.129 1.642 -16.101 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.376 1.790 -14.880 1.00 0.00 H new ATOM 1190 N LEU A 77 2.921 4.924 -9.002 1.00 0.00 N ATOM 1191 CA LEU A 77 2.216 5.814 -8.038 1.00 0.00 C ATOM 1192 C LEU A 77 3.237 6.759 -7.383 1.00 0.00 C ATOM 1193 O LEU A 77 2.863 7.726 -6.748 1.00 0.00 O ATOM 1194 CB LEU A 77 1.494 4.922 -6.990 1.00 0.00 C ATOM 1195 CG LEU A 77 -0.005 5.269 -6.838 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.727 5.373 -8.207 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.689 4.190 -5.982 1.00 0.00 C ATOM 0 H LEU A 77 3.169 4.003 -8.640 1.00 0.00 H new ATOM 0 HA LEU A 77 1.471 6.431 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.592 3.876 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.987 5.032 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.072 6.244 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.777 5.618 -8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.259 6.154 -8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.653 4.420 -8.731 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.747 4.430 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.586 3.220 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.220 4.155 -4.999 1.00 0.00 H new ATOM 1209 N CYS A 78 4.518 6.498 -7.537 1.00 0.00 N ATOM 1210 CA CYS A 78 5.557 7.398 -6.927 1.00 0.00 C ATOM 1211 C CYS A 78 6.584 7.802 -7.993 1.00 0.00 C ATOM 1212 O CYS A 78 6.452 7.567 -9.178 1.00 0.00 O ATOM 1213 CB CYS A 78 6.272 6.669 -5.788 1.00 0.00 C ATOM 1214 SG CYS A 78 6.819 7.877 -4.552 1.00 0.00 S ATOM 0 H CYS A 78 4.888 5.703 -8.057 1.00 0.00 H new ATOM 0 HA CYS A 78 5.067 8.290 -6.536 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.602 5.941 -5.330 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.127 6.116 -6.176 1.00 0.00 H new ATOM 1219 N SER A 79 7.605 8.445 -7.493 1.00 0.00 N ATOM 1220 CA SER A 79 8.745 8.980 -8.290 1.00 0.00 C ATOM 1221 C SER A 79 8.237 10.031 -9.278 1.00 0.00 C ATOM 1222 O SER A 79 8.673 10.097 -10.410 1.00 0.00 O ATOM 1223 CB SER A 79 9.504 7.859 -9.000 1.00 0.00 C ATOM 1224 OG SER A 79 9.942 6.907 -8.041 1.00 0.00 O ATOM 0 H SER A 79 7.696 8.631 -6.494 1.00 0.00 H new ATOM 0 HA SER A 79 9.452 9.457 -7.612 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.861 7.379 -9.738 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.358 8.268 -9.540 1.00 0.00 H new ATOM 0 HG SER A 79 10.428 6.186 -8.494 1.00 0.00 H new ATOM 1230 N GLY A 80 7.324 10.863 -8.851 1.00 0.00 N ATOM 1231 CA GLY A 80 6.790 11.927 -9.754 1.00 0.00 C ATOM 1232 C GLY A 80 7.565 13.224 -9.507 1.00 0.00 C ATOM 1233 O GLY A 80 8.777 13.224 -9.422 1.00 0.00 O ATOM 0 H GLY A 80 6.923 10.852 -7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.889 11.622 -10.796 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.727 12.082 -9.567 1.00 0.00 H new ATOM 1237 N LEU A 81 6.880 14.329 -9.383 1.00 0.00 N ATOM 1238 CA LEU A 81 7.582 15.620 -9.133 1.00 0.00 C ATOM 1239 C LEU A 81 7.816 15.784 -7.628 1.00 0.00 C ATOM 1240 O LEU A 81 8.019 16.878 -7.145 1.00 0.00 O ATOM 1241 CB LEU A 81 6.720 16.778 -9.644 1.00 0.00 C ATOM 1242 CG LEU A 81 6.158 16.431 -11.024 1.00 0.00 C ATOM 1243 CD1 LEU A 81 5.340 17.611 -11.552 1.00 0.00 C ATOM 1244 CD2 LEU A 81 7.311 16.135 -11.989 1.00 0.00 C ATOM 0 H LEU A 81 5.864 14.393 -9.444 1.00 0.00 H new ATOM 0 HA LEU A 81 8.539 15.623 -9.655 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.905 16.973 -8.947 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.315 17.689 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 81 5.519 15.552 -10.944 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.939 17.365 -12.535 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.518 17.820 -10.867 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.979 18.491 -11.631 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.909 15.888 -12.972 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.952 17.013 -12.070 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.893 15.294 -11.613 1.00 0.00 H new ATOM 1256 N VAL A 82 7.783 14.691 -6.899 1.00 0.00 N ATOM 1257 CA VAL A 82 7.993 14.726 -5.413 1.00 0.00 C ATOM 1258 C VAL A 82 9.008 15.838 -5.031 1.00 0.00 C ATOM 1259 O VAL A 82 10.198 15.629 -5.141 1.00 0.00 O ATOM 1260 CB VAL A 82 8.521 13.344 -4.969 1.00 0.00 C ATOM 1261 CG1 VAL A 82 9.539 12.818 -5.987 1.00 0.00 C ATOM 1262 CG2 VAL A 82 9.175 13.435 -3.580 1.00 0.00 C ATOM 0 H VAL A 82 7.616 13.759 -7.278 1.00 0.00 H new ATOM 0 HA VAL A 82 7.052 14.948 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 82 7.678 12.655 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.905 11.843 -5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.062 12.722 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.375 13.514 -6.059 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.541 12.451 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.009 14.136 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.440 13.782 -2.854 1.00 0.00 H new ATOM 1272 N PRO A 83 8.530 16.999 -4.601 1.00 0.00 N ATOM 1273 CA PRO A 83 9.441 18.102 -4.231 1.00 0.00 C ATOM 1274 C PRO A 83 10.183 17.749 -2.934 1.00 0.00 C ATOM 1275 O PRO A 83 10.994 18.511 -2.444 1.00 0.00 O ATOM 1276 CB PRO A 83 8.519 19.329 -4.032 1.00 0.00 C ATOM 1277 CG PRO A 83 7.048 18.828 -4.124 1.00 0.00 C ATOM 1278 CD PRO A 83 7.090 17.319 -4.453 1.00 0.00 C ATOM 0 HA PRO A 83 10.203 18.294 -4.987 1.00 0.00 H new ATOM 0 HB2 PRO A 83 8.705 19.796 -3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.715 20.084 -4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 83 6.525 19.001 -3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 83 6.505 19.374 -4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.634 16.729 -3.658 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.541 17.099 -5.368 1.00 0.00 H new ATOM 1286 N ARG A 84 9.915 16.593 -2.382 1.00 0.00 N ATOM 1287 CA ARG A 84 10.603 16.174 -1.121 1.00 0.00 C ATOM 1288 C ARG A 84 10.900 14.672 -1.193 1.00 0.00 C ATOM 1289 O ARG A 84 12.017 14.325 -1.538 1.00 0.00 O ATOM 1290 CB ARG A 84 9.687 16.466 0.085 1.00 0.00 C ATOM 1291 CG ARG A 84 9.866 17.922 0.557 1.00 0.00 C ATOM 1292 CD ARG A 84 11.048 18.020 1.531 1.00 0.00 C ATOM 1293 NE ARG A 84 11.170 19.420 2.026 1.00 0.00 N ATOM 1294 CZ ARG A 84 11.900 19.679 3.076 1.00 0.00 C ATOM 1295 NH1 ARG A 84 12.520 18.713 3.694 1.00 0.00 N ATOM 1296 NH2 ARG A 84 12.010 20.906 3.508 1.00 0.00 N ATOM 1297 OXT ARG A 84 10.004 13.897 -0.902 1.00 0.00 O ATOM 0 H ARG A 84 9.246 15.917 -2.752 1.00 0.00 H new ATOM 0 HA ARG A 84 11.535 16.727 -1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.647 16.292 -0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.920 15.782 0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.037 18.572 -0.301 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.954 18.269 1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.900 17.339 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.969 17.718 1.033 1.00 0.00 H new ATOM 0 HE ARG A 84 10.683 20.176 1.544 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.435 17.754 3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.091 18.916 4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.525 21.662 3.025 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.581 21.108 4.329 1.00 0.00 H new TER 1311 ARG A 84