USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 681 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 141:sc= -0.261 (180deg=-2.36!) USER MOD Single : A 1 MET N :NH3+ 141:sc= 0.00953 (180deg=0) USER MOD Single : A 3 SER OG : rot -77:sc= 0.509 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot 180:sc= 0.039 USER MOD Single : A 11 GLN : amide:sc= -1.22 K(o=-1.2,f=-2) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -142:sc= 1.21 (180deg=0.599) USER MOD Single : A 17 LYS NZ :NH3+ -171:sc=-0.00329 (180deg=-0.104) USER MOD Single : A 19 HIS : no HD1:sc= 0.708 K(o=0.71,f=-6!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.14) USER MOD Single : A 29 MET CE :methyl -178:sc= -1.21 (180deg=-1.31) USER MOD Single : A 31 MET CE :methyl -164:sc= -3.79 (180deg=-4.96!) USER MOD Single : A 34 THR OG1 : rot 84:sc= 0.96 USER MOD Single : A 37 CYS SG : rot 180:sc= -0.17 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.0352 (180deg=-0.305) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 54 ASN : amide:sc= 0.33 K(o=0.33,f=-3.1!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -160:sc= 1.08 (180deg=0.175) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 69 MET CE :methyl -111:sc= -0.49 (180deg=-0.951) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 79 HIS : no HE2:sc= -1.05 K(o=-1.1,f=-2.2!) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.439 6.471 12.797 1.00 22.13 N ATOM 2 CA MET A 1 -1.735 5.978 11.591 1.00 50.00 C ATOM 3 C MET A 1 -2.392 4.705 11.077 1.00 55.30 C ATOM 4 O MET A 1 -2.758 3.825 11.859 1.00 23.22 O ATOM 5 CB MET A 1 -0.259 5.709 11.906 1.00 51.44 C ATOM 6 CG MET A 1 0.512 5.070 10.759 1.00 12.33 C ATOM 7 SD MET A 1 2.218 4.681 11.196 1.00 44.31 S ATOM 8 CE MET A 1 2.746 3.813 9.723 1.00 35.50 C ATOM 0 H1 MET A 1 -1.744 6.835 13.480 1.00 22.13 H new ATOM 0 H2 MET A 1 -3.094 7.233 12.529 1.00 22.13 H new ATOM 0 H3 MET A 1 -2.974 5.691 13.230 1.00 22.13 H new ATOM 0 HA MET A 1 -1.798 6.746 10.820 1.00 50.00 H new ATOM 0 HB2 MET A 1 0.222 6.650 12.174 1.00 51.44 H new ATOM 0 HB3 MET A 1 -0.197 5.059 12.779 1.00 51.44 H new ATOM 0 HG2 MET A 1 0.004 4.157 10.450 1.00 12.33 H new ATOM 0 HG3 MET A 1 0.506 5.744 9.903 1.00 12.33 H new ATOM 0 HE1 MET A 1 3.772 4.093 9.484 1.00 35.50 H new ATOM 0 HE2 MET A 1 2.694 2.738 9.896 1.00 35.50 H new ATOM 0 HE3 MET A 1 2.094 4.078 8.891 1.00 35.50 H new ATOM 18 N PHE A 2 -2.553 4.623 9.768 1.00 75.33 N ATOM 19 CA PHE A 2 -3.117 3.448 9.135 1.00 34.45 C ATOM 20 C PHE A 2 -2.234 3.033 7.964 1.00 72.42 C ATOM 21 O PHE A 2 -2.262 3.655 6.902 1.00 72.45 O ATOM 22 CB PHE A 2 -4.546 3.730 8.662 1.00 62.24 C ATOM 23 CG PHE A 2 -5.318 2.491 8.299 1.00 0.52 C ATOM 24 CD1 PHE A 2 -6.068 1.826 9.257 1.00 31.12 C ATOM 25 CD2 PHE A 2 -5.294 1.991 7.009 1.00 30.23 C ATOM 26 CE1 PHE A 2 -6.783 0.688 8.931 1.00 65.04 C ATOM 27 CE2 PHE A 2 -6.006 0.855 6.678 1.00 5.41 C ATOM 28 CZ PHE A 2 -6.750 0.202 7.640 1.00 41.11 C ATOM 0 H PHE A 2 -2.297 5.366 9.118 1.00 75.33 H new ATOM 0 HA PHE A 2 -3.157 2.633 9.857 1.00 34.45 H new ATOM 0 HB2 PHE A 2 -5.081 4.264 9.448 1.00 62.24 H new ATOM 0 HB3 PHE A 2 -4.509 4.391 7.796 1.00 62.24 H new ATOM 0 HD1 PHE A 2 -6.094 2.201 10.269 1.00 31.12 H new ATOM 0 HD2 PHE A 2 -4.712 2.495 6.252 1.00 30.23 H new ATOM 0 HE1 PHE A 2 -7.366 0.181 9.685 1.00 65.04 H new ATOM 0 HE2 PHE A 2 -5.981 0.477 5.666 1.00 5.41 H new ATOM 0 HZ PHE A 2 -7.305 -0.688 7.383 1.00 41.11 H new ATOM 38 N SER A 3 -1.428 2.007 8.172 1.00 1.22 N ATOM 39 CA SER A 3 -0.505 1.550 7.146 1.00 62.32 C ATOM 40 C SER A 3 -1.078 0.358 6.390 1.00 23.13 C ATOM 41 O SER A 3 -2.167 -0.124 6.704 1.00 2.45 O ATOM 42 CB SER A 3 0.838 1.173 7.780 1.00 45.41 C ATOM 43 OG SER A 3 0.685 0.119 8.719 1.00 42.45 O ATOM 0 H SER A 3 -1.393 1.474 9.041 1.00 1.22 H new ATOM 0 HA SER A 3 -0.352 2.363 6.436 1.00 62.32 H new ATOM 0 HB2 SER A 3 1.539 0.871 7.001 1.00 45.41 H new ATOM 0 HB3 SER A 3 1.267 2.045 8.274 1.00 45.41 H new ATOM 0 HG SER A 3 0.309 0.474 9.551 1.00 42.45 H new ATOM 49 N LEU A 4 -0.331 -0.130 5.403 1.00 43.14 N ATOM 50 CA LEU A 4 -0.708 -1.342 4.684 1.00 61.34 C ATOM 51 C LEU A 4 -0.537 -2.563 5.583 1.00 52.41 C ATOM 52 O LEU A 4 -0.922 -3.675 5.231 1.00 21.43 O ATOM 53 CB LEU A 4 0.129 -1.489 3.413 1.00 24.14 C ATOM 54 CG LEU A 4 -0.201 -0.492 2.302 1.00 54.14 C ATOM 55 CD1 LEU A 4 0.717 -0.694 1.109 1.00 3.13 C ATOM 56 CD2 LEU A 4 -1.659 -0.619 1.880 1.00 44.11 C ATOM 0 H LEU A 4 0.539 0.296 5.083 1.00 43.14 H new ATOM 0 HA LEU A 4 -1.757 -1.267 4.397 1.00 61.34 H new ATOM 0 HB2 LEU A 4 1.182 -1.382 3.675 1.00 24.14 H new ATOM 0 HB3 LEU A 4 -0.002 -2.499 3.025 1.00 24.14 H new ATOM 0 HG LEU A 4 -0.042 0.514 2.691 1.00 54.14 H new ATOM 0 HD11 LEU A 4 0.465 0.026 0.330 1.00 3.13 H new ATOM 0 HD12 LEU A 4 1.752 -0.547 1.417 1.00 3.13 H new ATOM 0 HD13 LEU A 4 0.594 -1.706 0.722 1.00 3.13 H new ATOM 0 HD21 LEU A 4 -1.873 0.099 1.089 1.00 44.11 H new ATOM 0 HD22 LEU A 4 -1.845 -1.629 1.514 1.00 44.11 H new ATOM 0 HD23 LEU A 4 -2.304 -0.419 2.735 1.00 44.11 H new ATOM 68 N ARG A 5 0.062 -2.336 6.743 1.00 24.35 N ATOM 69 CA ARG A 5 0.198 -3.365 7.762 1.00 62.35 C ATOM 70 C ARG A 5 -1.047 -3.420 8.626 1.00 32.02 C ATOM 71 O ARG A 5 -1.437 -4.478 9.126 1.00 32.33 O ATOM 72 CB ARG A 5 1.422 -3.078 8.622 1.00 71.55 C ATOM 73 CG ARG A 5 2.710 -3.307 7.878 1.00 32.51 C ATOM 74 CD ARG A 5 2.814 -4.754 7.450 1.00 30.43 C ATOM 75 NE ARG A 5 2.982 -5.647 8.594 1.00 23.13 N ATOM 76 CZ ARG A 5 2.497 -6.886 8.659 1.00 4.11 C ATOM 77 NH1 ARG A 5 1.809 -7.393 7.642 1.00 21.34 N ATOM 78 NH2 ARG A 5 2.694 -7.619 9.746 1.00 44.04 N ATOM 0 H ARG A 5 0.466 -1.436 7.003 1.00 24.35 H new ATOM 0 HA ARG A 5 0.323 -4.332 7.274 1.00 62.35 H new ATOM 0 HB2 ARG A 5 1.385 -2.046 8.970 1.00 71.55 H new ATOM 0 HB3 ARG A 5 1.398 -3.714 9.507 1.00 71.55 H new ATOM 0 HG2 ARG A 5 2.754 -2.657 7.004 1.00 32.51 H new ATOM 0 HG3 ARG A 5 3.557 -3.046 8.513 1.00 32.51 H new ATOM 0 HD2 ARG A 5 1.917 -5.035 6.898 1.00 30.43 H new ATOM 0 HD3 ARG A 5 3.657 -4.872 6.770 1.00 30.43 H new ATOM 0 HE ARG A 5 3.506 -5.298 9.397 1.00 23.13 H new ATOM 0 HH11 ARG A 5 1.649 -6.833 6.805 1.00 21.34 H new ATOM 0 HH12 ARG A 5 1.440 -8.342 7.698 1.00 21.34 H new ATOM 0 HH21 ARG A 5 3.217 -7.234 10.533 1.00 44.04 H new ATOM 0 HH22 ARG A 5 2.323 -8.568 9.796 1.00 44.04 H new ATOM 92 N ASP A 6 -1.660 -2.266 8.789 1.00 71.21 N ATOM 93 CA ASP A 6 -2.894 -2.153 9.555 1.00 50.01 C ATOM 94 C ASP A 6 -4.083 -2.527 8.682 1.00 33.35 C ATOM 95 O ASP A 6 -5.107 -3.009 9.170 1.00 13.44 O ATOM 96 CB ASP A 6 -3.080 -0.728 10.092 1.00 12.04 C ATOM 97 CG ASP A 6 -1.948 -0.282 10.993 1.00 31.01 C ATOM 98 OD1 ASP A 6 -1.882 -0.742 12.155 1.00 33.12 O ATOM 99 OD2 ASP A 6 -1.122 0.546 10.550 1.00 12.40 O ATOM 0 H ASP A 6 -1.325 -1.385 8.400 1.00 71.21 H new ATOM 0 HA ASP A 6 -2.831 -2.837 10.401 1.00 50.01 H new ATOM 0 HB2 ASP A 6 -3.162 -0.037 9.253 1.00 12.04 H new ATOM 0 HB3 ASP A 6 -4.019 -0.673 10.643 1.00 12.04 H new ATOM 105 N ALA A 7 -3.933 -2.297 7.384 1.00 73.13 N ATOM 106 CA ALA A 7 -4.972 -2.614 6.414 1.00 43.14 C ATOM 107 C ALA A 7 -5.153 -4.122 6.271 1.00 21.21 C ATOM 108 O ALA A 7 -4.235 -4.900 6.541 1.00 63.32 O ATOM 109 CB ALA A 7 -4.641 -1.991 5.066 1.00 44.10 C ATOM 0 H ALA A 7 -3.092 -1.888 6.976 1.00 73.13 H new ATOM 0 HA ALA A 7 -5.911 -2.196 6.777 1.00 43.14 H new ATOM 0 HB1 ALA A 7 -5.425 -2.235 4.350 1.00 44.10 H new ATOM 0 HB2 ALA A 7 -4.572 -0.908 5.173 1.00 44.10 H new ATOM 0 HB3 ALA A 7 -3.689 -2.382 4.708 1.00 44.10 H new ATOM 115 N LYS A 8 -6.341 -4.523 5.847 1.00 64.31 N ATOM 116 CA LYS A 8 -6.664 -5.929 5.666 1.00 73.40 C ATOM 117 C LYS A 8 -6.730 -6.255 4.177 1.00 14.13 C ATOM 118 O LYS A 8 -6.997 -5.376 3.358 1.00 63.15 O ATOM 119 CB LYS A 8 -8.008 -6.237 6.338 1.00 2.23 C ATOM 120 CG LYS A 8 -8.363 -7.713 6.390 1.00 2.24 C ATOM 121 CD LYS A 8 -7.418 -8.482 7.298 1.00 43.21 C ATOM 122 CE LYS A 8 -7.827 -9.941 7.419 1.00 41.21 C ATOM 123 NZ LYS A 8 -6.939 -10.690 8.344 1.00 23.14 N ATOM 0 H LYS A 8 -7.105 -3.886 5.620 1.00 64.31 H new ATOM 0 HA LYS A 8 -5.889 -6.543 6.125 1.00 73.40 H new ATOM 0 HB2 LYS A 8 -7.990 -5.845 7.355 1.00 2.23 H new ATOM 0 HB3 LYS A 8 -8.796 -5.705 5.805 1.00 2.23 H new ATOM 0 HG2 LYS A 8 -9.387 -7.830 6.746 1.00 2.24 H new ATOM 0 HG3 LYS A 8 -8.325 -8.133 5.385 1.00 2.24 H new ATOM 0 HD2 LYS A 8 -6.403 -8.419 6.906 1.00 43.21 H new ATOM 0 HD3 LYS A 8 -7.407 -8.023 8.286 1.00 43.21 H new ATOM 0 HE2 LYS A 8 -8.856 -10.001 7.775 1.00 41.21 H new ATOM 0 HE3 LYS A 8 -7.802 -10.408 6.434 1.00 41.21 H new ATOM 0 HZ1 LYS A 8 -7.251 -11.681 8.399 1.00 23.14 H new ATOM 0 HZ2 LYS A 8 -5.961 -10.654 7.992 1.00 23.14 H new ATOM 0 HZ3 LYS A 8 -6.982 -10.261 9.290 1.00 23.14 H new ATOM 137 N CYS A 9 -6.480 -7.510 3.830 1.00 24.14 N ATOM 138 CA CYS A 9 -6.552 -7.947 2.444 1.00 20.10 C ATOM 139 C CYS A 9 -7.947 -7.698 1.875 1.00 24.13 C ATOM 140 O CYS A 9 -8.951 -7.863 2.574 1.00 54.10 O ATOM 141 CB CYS A 9 -6.185 -9.428 2.341 1.00 45.34 C ATOM 142 SG CYS A 9 -7.110 -10.493 3.473 1.00 4.41 S ATOM 0 H CYS A 9 -6.225 -8.244 4.491 1.00 24.14 H new ATOM 0 HA CYS A 9 -5.838 -7.369 1.857 1.00 20.10 H new ATOM 0 HB2 CYS A 9 -6.357 -9.765 1.319 1.00 45.34 H new ATOM 0 HB3 CYS A 9 -5.119 -9.543 2.539 1.00 45.34 H new ATOM 0 HG CYS A 9 -6.734 -11.727 3.313 1.00 4.41 H new ATOM 148 N GLY A 10 -8.007 -7.272 0.624 1.00 62.13 N ATOM 149 CA GLY A 10 -9.284 -6.981 0.000 1.00 22.03 C ATOM 150 C GLY A 10 -9.663 -5.516 0.104 1.00 54.43 C ATOM 151 O GLY A 10 -10.458 -5.019 -0.692 1.00 55.22 O ATOM 0 H GLY A 10 -7.194 -7.122 0.027 1.00 62.13 H new ATOM 0 HA2 GLY A 10 -9.245 -7.269 -1.051 1.00 22.03 H new ATOM 0 HA3 GLY A 10 -10.060 -7.587 0.468 1.00 22.03 H new ATOM 155 N GLN A 11 -9.093 -4.821 1.084 1.00 62.02 N ATOM 156 CA GLN A 11 -9.375 -3.402 1.273 1.00 53.52 C ATOM 157 C GLN A 11 -8.772 -2.571 0.156 1.00 21.12 C ATOM 158 O GLN A 11 -7.612 -2.759 -0.219 1.00 12.14 O ATOM 159 CB GLN A 11 -8.838 -2.909 2.620 1.00 62.14 C ATOM 160 CG GLN A 11 -9.768 -3.184 3.787 1.00 32.24 C ATOM 161 CD GLN A 11 -9.180 -2.748 5.116 1.00 62.43 C ATOM 162 OE1 GLN A 11 -8.373 -1.825 5.181 1.00 42.44 O ATOM 163 NE2 GLN A 11 -9.597 -3.399 6.191 1.00 1.11 N ATOM 0 H GLN A 11 -8.436 -5.215 1.757 1.00 62.02 H new ATOM 0 HA GLN A 11 -10.458 -3.284 1.257 1.00 53.52 H new ATOM 0 HB2 GLN A 11 -7.877 -3.385 2.814 1.00 62.14 H new ATOM 0 HB3 GLN A 11 -8.656 -1.836 2.557 1.00 62.14 H new ATOM 0 HG2 GLN A 11 -10.713 -2.665 3.624 1.00 32.24 H new ATOM 0 HG3 GLN A 11 -9.992 -4.250 3.825 1.00 32.24 H new ATOM 0 HE21 GLN A 11 -10.269 -4.161 6.097 1.00 1.11 H new ATOM 0 HE22 GLN A 11 -9.247 -3.139 7.113 1.00 1.11 H new ATOM 172 N THR A 12 -9.574 -1.666 -0.380 1.00 1.14 N ATOM 173 CA THR A 12 -9.104 -0.726 -1.373 1.00 65.34 C ATOM 174 C THR A 12 -8.718 0.582 -0.694 1.00 21.32 C ATOM 175 O THR A 12 -9.581 1.370 -0.297 1.00 12.23 O ATOM 176 CB THR A 12 -10.178 -0.449 -2.445 1.00 12.23 C ATOM 177 OG1 THR A 12 -10.690 -1.686 -2.962 1.00 10.43 O ATOM 178 CG2 THR A 12 -9.605 0.378 -3.588 1.00 75.30 C ATOM 0 H THR A 12 -10.560 -1.566 -0.139 1.00 1.14 H new ATOM 0 HA THR A 12 -8.237 -1.164 -1.867 1.00 65.34 H new ATOM 0 HB THR A 12 -10.985 0.113 -1.976 1.00 12.23 H new ATOM 0 HG1 THR A 12 -11.372 -1.500 -3.640 1.00 10.43 H new ATOM 0 HG21 THR A 12 -10.382 0.560 -4.331 1.00 75.30 H new ATOM 0 HG22 THR A 12 -9.242 1.331 -3.202 1.00 75.30 H new ATOM 0 HG23 THR A 12 -8.780 -0.164 -4.051 1.00 75.30 H new ATOM 186 N VAL A 13 -7.424 0.802 -0.548 1.00 32.13 N ATOM 187 CA VAL A 13 -6.924 1.992 0.112 1.00 55.34 C ATOM 188 C VAL A 13 -6.188 2.857 -0.896 1.00 42.43 C ATOM 189 O VAL A 13 -6.029 2.469 -2.050 1.00 63.31 O ATOM 190 CB VAL A 13 -5.974 1.644 1.286 1.00 13.24 C ATOM 191 CG1 VAL A 13 -6.671 0.750 2.301 1.00 22.24 C ATOM 192 CG2 VAL A 13 -4.697 0.985 0.787 1.00 52.22 C ATOM 0 H VAL A 13 -6.698 0.168 -0.880 1.00 32.13 H new ATOM 0 HA VAL A 13 -7.778 2.532 0.522 1.00 55.34 H new ATOM 0 HB VAL A 13 -5.702 2.578 1.777 1.00 13.24 H new ATOM 0 HG11 VAL A 13 -5.984 0.520 3.115 1.00 22.24 H new ATOM 0 HG12 VAL A 13 -7.546 1.264 2.699 1.00 22.24 H new ATOM 0 HG13 VAL A 13 -6.983 -0.175 1.817 1.00 22.24 H new ATOM 0 HG21 VAL A 13 -4.052 0.753 1.635 1.00 52.22 H new ATOM 0 HG22 VAL A 13 -4.945 0.065 0.258 1.00 52.22 H new ATOM 0 HG23 VAL A 13 -4.178 1.664 0.111 1.00 52.22 H new ATOM 202 N LYS A 14 -5.765 4.031 -0.476 1.00 44.20 N ATOM 203 CA LYS A 14 -5.000 4.916 -1.337 1.00 53.24 C ATOM 204 C LYS A 14 -3.827 5.504 -0.583 1.00 2.33 C ATOM 205 O LYS A 14 -3.920 5.768 0.614 1.00 0.43 O ATOM 206 CB LYS A 14 -5.894 6.021 -1.880 1.00 11.31 C ATOM 207 CG LYS A 14 -6.789 5.542 -3.004 1.00 3.15 C ATOM 208 CD LYS A 14 -8.108 6.279 -3.030 1.00 42.22 C ATOM 209 CE LYS A 14 -7.932 7.760 -3.301 1.00 14.22 C ATOM 210 NZ LYS A 14 -9.240 8.457 -3.377 1.00 33.11 N ATOM 0 H LYS A 14 -5.938 4.398 0.460 1.00 44.20 H new ATOM 0 HA LYS A 14 -4.612 4.338 -2.176 1.00 53.24 H new ATOM 0 HB2 LYS A 14 -6.510 6.416 -1.072 1.00 11.31 H new ATOM 0 HB3 LYS A 14 -5.274 6.843 -2.238 1.00 11.31 H new ATOM 0 HG2 LYS A 14 -6.278 5.679 -3.957 1.00 3.15 H new ATOM 0 HG3 LYS A 14 -6.973 4.474 -2.891 1.00 3.15 H new ATOM 0 HD2 LYS A 14 -8.750 5.845 -3.797 1.00 42.22 H new ATOM 0 HD3 LYS A 14 -8.616 6.144 -2.075 1.00 42.22 H new ATOM 0 HE2 LYS A 14 -7.326 8.206 -2.512 1.00 14.22 H new ATOM 0 HE3 LYS A 14 -7.390 7.898 -4.236 1.00 14.22 H new ATOM 0 HZ1 LYS A 14 -9.204 9.182 -4.121 1.00 33.11 H new ATOM 0 HZ2 LYS A 14 -9.988 7.769 -3.600 1.00 33.11 H new ATOM 0 HZ3 LYS A 14 -9.446 8.909 -2.463 1.00 33.11 H new ATOM 224 N VAL A 15 -2.731 5.699 -1.291 1.00 34.40 N ATOM 225 CA VAL A 15 -1.507 6.198 -0.678 1.00 54.10 C ATOM 226 C VAL A 15 -1.598 7.699 -0.463 1.00 5.05 C ATOM 227 O VAL A 15 -1.857 8.452 -1.404 1.00 1.51 O ATOM 228 CB VAL A 15 -0.263 5.881 -1.536 1.00 44.04 C ATOM 229 CG1 VAL A 15 1.003 6.391 -0.861 1.00 72.32 C ATOM 230 CG2 VAL A 15 -0.157 4.390 -1.802 1.00 51.05 C ATOM 0 H VAL A 15 -2.659 5.520 -2.293 1.00 34.40 H new ATOM 0 HA VAL A 15 -1.399 5.692 0.281 1.00 54.10 H new ATOM 0 HB VAL A 15 -0.374 6.394 -2.492 1.00 44.04 H new ATOM 0 HG11 VAL A 15 1.867 6.157 -1.483 1.00 72.32 H new ATOM 0 HG12 VAL A 15 0.934 7.471 -0.727 1.00 72.32 H new ATOM 0 HG13 VAL A 15 1.115 5.911 0.111 1.00 72.32 H new ATOM 0 HG21 VAL A 15 0.727 4.190 -2.408 1.00 51.05 H new ATOM 0 HG22 VAL A 15 -0.076 3.856 -0.855 1.00 51.05 H new ATOM 0 HG23 VAL A 15 -1.046 4.051 -2.334 1.00 51.05 H new ATOM 240 N VAL A 16 -1.401 8.133 0.774 1.00 32.21 N ATOM 241 CA VAL A 16 -1.466 9.551 1.094 1.00 13.12 C ATOM 242 C VAL A 16 -0.137 10.087 1.605 1.00 60.33 C ATOM 243 O VAL A 16 0.265 11.193 1.253 1.00 63.32 O ATOM 244 CB VAL A 16 -2.578 9.870 2.120 1.00 73.24 C ATOM 245 CG1 VAL A 16 -3.948 9.792 1.462 1.00 43.53 C ATOM 246 CG2 VAL A 16 -2.512 8.934 3.319 1.00 2.45 C ATOM 0 H VAL A 16 -1.196 7.527 1.568 1.00 32.21 H new ATOM 0 HA VAL A 16 -1.706 10.052 0.156 1.00 13.12 H new ATOM 0 HB VAL A 16 -2.417 10.886 2.479 1.00 73.24 H new ATOM 0 HG11 VAL A 16 -4.719 10.019 2.198 1.00 43.53 H new ATOM 0 HG12 VAL A 16 -4.001 10.513 0.646 1.00 43.53 H new ATOM 0 HG13 VAL A 16 -4.106 8.788 1.069 1.00 43.53 H new ATOM 0 HG21 VAL A 16 -3.307 9.185 4.021 1.00 2.45 H new ATOM 0 HG22 VAL A 16 -2.636 7.904 2.984 1.00 2.45 H new ATOM 0 HG23 VAL A 16 -1.546 9.042 3.812 1.00 2.45 H new ATOM 256 N LYS A 17 0.548 9.316 2.431 1.00 62.50 N ATOM 257 CA LYS A 17 1.817 9.765 2.976 1.00 32.20 C ATOM 258 C LYS A 17 2.825 8.624 2.993 1.00 44.52 C ATOM 259 O LYS A 17 2.459 7.455 3.118 1.00 52.34 O ATOM 260 CB LYS A 17 1.625 10.324 4.389 1.00 1.31 C ATOM 261 CG LYS A 17 2.763 11.220 4.850 1.00 2.42 C ATOM 262 CD LYS A 17 2.535 11.733 6.263 1.00 2.32 C ATOM 263 CE LYS A 17 3.551 12.804 6.638 1.00 61.30 C ATOM 264 NZ LYS A 17 4.952 12.322 6.508 1.00 21.31 N ATOM 0 H LYS A 17 0.252 8.389 2.736 1.00 62.50 H new ATOM 0 HA LYS A 17 2.203 10.559 2.337 1.00 32.20 H new ATOM 0 HB2 LYS A 17 0.693 10.888 4.424 1.00 1.31 H new ATOM 0 HB3 LYS A 17 1.522 9.494 5.088 1.00 1.31 H new ATOM 0 HG2 LYS A 17 3.701 10.667 4.810 1.00 2.42 H new ATOM 0 HG3 LYS A 17 2.862 12.064 4.167 1.00 2.42 H new ATOM 0 HD2 LYS A 17 1.528 12.141 6.345 1.00 2.32 H new ATOM 0 HD3 LYS A 17 2.602 10.904 6.968 1.00 2.32 H new ATOM 0 HE2 LYS A 17 3.408 13.676 6.000 1.00 61.30 H new ATOM 0 HE3 LYS A 17 3.374 13.127 7.664 1.00 61.30 H new ATOM 0 HZ1 LYS A 17 5.600 13.026 6.916 1.00 21.31 H new ATOM 0 HZ2 LYS A 17 5.057 11.420 7.015 1.00 21.31 H new ATOM 0 HZ3 LYS A 17 5.179 12.183 5.503 1.00 21.31 H new ATOM 278 N LEU A 18 4.092 8.970 2.856 1.00 54.22 N ATOM 279 CA LEU A 18 5.159 7.987 2.866 1.00 44.53 C ATOM 280 C LEU A 18 6.123 8.275 4.012 1.00 12.23 C ATOM 281 O LEU A 18 6.815 9.291 4.012 1.00 4.33 O ATOM 282 CB LEU A 18 5.885 8.003 1.520 1.00 62.25 C ATOM 283 CG LEU A 18 5.020 7.629 0.310 1.00 23.33 C ATOM 284 CD1 LEU A 18 5.750 7.941 -0.986 1.00 10.52 C ATOM 285 CD2 LEU A 18 4.645 6.161 0.363 1.00 44.44 C ATOM 0 H LEU A 18 4.408 9.932 2.736 1.00 54.22 H new ATOM 0 HA LEU A 18 4.738 6.993 3.020 1.00 44.53 H new ATOM 0 HB2 LEU A 18 6.297 8.999 1.359 1.00 62.25 H new ATOM 0 HB3 LEU A 18 6.728 7.314 1.571 1.00 62.25 H new ATOM 0 HG LEU A 18 4.107 8.224 0.343 1.00 23.33 H new ATOM 0 HD11 LEU A 18 5.120 7.669 -1.833 1.00 10.52 H new ATOM 0 HD12 LEU A 18 5.975 9.007 -1.029 1.00 10.52 H new ATOM 0 HD13 LEU A 18 6.679 7.372 -1.027 1.00 10.52 H new ATOM 0 HD21 LEU A 18 4.031 5.911 -0.502 1.00 44.44 H new ATOM 0 HD22 LEU A 18 5.550 5.554 0.354 1.00 44.44 H new ATOM 0 HD23 LEU A 18 4.084 5.962 1.276 1.00 44.44 H new ATOM 297 N HIS A 19 6.152 7.377 4.993 1.00 41.05 N ATOM 298 CA HIS A 19 6.952 7.561 6.205 1.00 72.02 C ATOM 299 C HIS A 19 8.445 7.388 5.930 1.00 72.15 C ATOM 300 O HIS A 19 9.275 7.649 6.801 1.00 45.01 O ATOM 301 CB HIS A 19 6.513 6.570 7.288 1.00 1.31 C ATOM 302 CG HIS A 19 5.171 6.870 7.885 1.00 34.52 C ATOM 303 ND1 HIS A 19 4.991 7.099 9.227 1.00 50.41 N ATOM 304 CD2 HIS A 19 3.942 6.969 7.321 1.00 54.12 C ATOM 305 CE1 HIS A 19 3.717 7.329 9.468 1.00 21.33 C ATOM 306 NE2 HIS A 19 3.058 7.254 8.331 1.00 40.23 N ATOM 0 H HIS A 19 5.625 6.504 4.973 1.00 41.05 H new ATOM 0 HA HIS A 19 6.786 8.581 6.552 1.00 72.02 H new ATOM 0 HB2 HIS A 19 6.493 5.567 6.861 1.00 1.31 H new ATOM 0 HB3 HIS A 19 7.259 6.563 8.083 1.00 1.31 H new ATOM 0 HD2 HIS A 19 3.704 6.847 6.275 1.00 54.12 H new ATOM 0 HE1 HIS A 19 3.286 7.543 10.435 1.00 21.33 H new ATOM 0 HE2 HIS A 19 2.053 7.386 8.219 1.00 40.23 H new ATOM 315 N GLY A 20 8.775 6.924 4.729 1.00 3.44 N ATOM 316 CA GLY A 20 10.165 6.786 4.344 1.00 45.41 C ATOM 317 C GLY A 20 10.872 8.124 4.319 1.00 72.32 C ATOM 318 O GLY A 20 10.248 9.149 4.050 1.00 11.32 O ATOM 0 H GLY A 20 8.103 6.641 4.016 1.00 3.44 H new ATOM 0 HA2 GLY A 20 10.672 6.119 5.042 1.00 45.41 H new ATOM 0 HA3 GLY A 20 10.226 6.323 3.359 1.00 45.41 H new ATOM 322 N THR A 21 12.170 8.108 4.594 1.00 73.52 N ATOM 323 CA THR A 21 12.969 9.326 4.660 1.00 34.23 C ATOM 324 C THR A 21 12.908 10.119 3.354 1.00 55.54 C ATOM 325 O THR A 21 12.162 11.090 3.239 1.00 63.40 O ATOM 326 CB THR A 21 14.432 8.984 4.986 1.00 42.12 C ATOM 327 OG1 THR A 21 14.862 7.889 4.161 1.00 42.53 O ATOM 328 CG2 THR A 21 14.596 8.617 6.452 1.00 10.53 C ATOM 0 H THR A 21 12.697 7.254 4.777 1.00 73.52 H new ATOM 0 HA THR A 21 12.550 9.947 5.452 1.00 34.23 H new ATOM 0 HB THR A 21 15.045 9.863 4.785 1.00 42.12 H new ATOM 0 HG1 THR A 21 15.795 7.671 4.367 1.00 42.53 H new ATOM 0 HG21 THR A 21 15.641 8.380 6.653 1.00 10.53 H new ATOM 0 HG22 THR A 21 14.288 9.457 7.074 1.00 10.53 H new ATOM 0 HG23 THR A 21 13.977 7.750 6.681 1.00 10.53 H new ATOM 336 N GLY A 22 13.686 9.693 2.373 1.00 23.23 N ATOM 337 CA GLY A 22 13.665 10.327 1.072 1.00 0.01 C ATOM 338 C GLY A 22 13.902 9.322 -0.029 1.00 64.34 C ATOM 339 O GLY A 22 13.067 9.157 -0.919 1.00 14.03 O ATOM 0 H GLY A 22 14.337 8.912 2.455 1.00 23.23 H new ATOM 0 HA2 GLY A 22 12.704 10.818 0.919 1.00 0.01 H new ATOM 0 HA3 GLY A 22 14.429 11.103 1.030 1.00 0.01 H new ATOM 343 N ALA A 23 15.034 8.635 0.047 1.00 22.43 N ATOM 344 CA ALA A 23 15.355 7.572 -0.898 1.00 60.11 C ATOM 345 C ALA A 23 14.307 6.465 -0.831 1.00 62.10 C ATOM 346 O ALA A 23 13.929 5.890 -1.850 1.00 10.24 O ATOM 347 CB ALA A 23 16.743 7.016 -0.617 1.00 71.21 C ATOM 0 H ALA A 23 15.749 8.795 0.757 1.00 22.43 H new ATOM 0 HA ALA A 23 15.349 7.988 -1.906 1.00 60.11 H new ATOM 0 HB1 ALA A 23 16.969 6.223 -1.330 1.00 71.21 H new ATOM 0 HB2 ALA A 23 17.481 7.813 -0.714 1.00 71.21 H new ATOM 0 HB3 ALA A 23 16.776 6.613 0.395 1.00 71.21 H new ATOM 353 N LEU A 24 13.832 6.193 0.382 1.00 53.21 N ATOM 354 CA LEU A 24 12.775 5.209 0.596 1.00 73.32 C ATOM 355 C LEU A 24 11.532 5.569 -0.210 1.00 55.41 C ATOM 356 O LEU A 24 10.962 4.722 -0.893 1.00 34.43 O ATOM 357 CB LEU A 24 12.417 5.119 2.088 1.00 50.33 C ATOM 358 CG LEU A 24 13.299 4.199 2.943 1.00 70.22 C ATOM 359 CD1 LEU A 24 13.186 2.758 2.470 1.00 31.13 C ATOM 360 CD2 LEU A 24 14.750 4.657 2.928 1.00 41.03 C ATOM 0 H LEU A 24 14.164 6.643 1.235 1.00 53.21 H new ATOM 0 HA LEU A 24 13.144 4.240 0.260 1.00 73.32 H new ATOM 0 HB2 LEU A 24 12.458 6.123 2.511 1.00 50.33 H new ATOM 0 HB3 LEU A 24 11.385 4.779 2.173 1.00 50.33 H new ATOM 0 HG LEU A 24 12.942 4.254 3.971 1.00 70.22 H new ATOM 0 HD11 LEU A 24 13.819 2.121 3.089 1.00 31.13 H new ATOM 0 HD12 LEU A 24 12.150 2.429 2.551 1.00 31.13 H new ATOM 0 HD13 LEU A 24 13.508 2.690 1.431 1.00 31.13 H new ATOM 0 HD21 LEU A 24 15.350 3.986 3.542 1.00 41.03 H new ATOM 0 HD22 LEU A 24 15.125 4.644 1.905 1.00 41.03 H new ATOM 0 HD23 LEU A 24 14.816 5.669 3.326 1.00 41.03 H new ATOM 372 N LYS A 25 11.136 6.838 -0.140 1.00 2.00 N ATOM 373 CA LYS A 25 9.953 7.309 -0.851 1.00 33.12 C ATOM 374 C LYS A 25 10.105 7.098 -2.350 1.00 71.41 C ATOM 375 O LYS A 25 9.250 6.486 -2.996 1.00 50.41 O ATOM 376 CB LYS A 25 9.712 8.794 -0.585 1.00 35.55 C ATOM 377 CG LYS A 25 9.325 9.123 0.844 1.00 53.14 C ATOM 378 CD LYS A 25 8.623 10.472 0.920 1.00 44.10 C ATOM 379 CE LYS A 25 9.519 11.619 0.478 1.00 13.24 C ATOM 380 NZ LYS A 25 10.341 12.148 1.593 1.00 34.22 N ATOM 0 H LYS A 25 11.617 7.556 0.401 1.00 2.00 H new ATOM 0 HA LYS A 25 9.103 6.733 -0.486 1.00 33.12 H new ATOM 0 HB2 LYS A 25 10.616 9.347 -0.840 1.00 35.55 H new ATOM 0 HB3 LYS A 25 8.925 9.146 -1.251 1.00 35.55 H new ATOM 0 HG2 LYS A 25 8.670 8.345 1.236 1.00 53.14 H new ATOM 0 HG3 LYS A 25 10.216 9.136 1.472 1.00 53.14 H new ATOM 0 HD2 LYS A 25 7.731 10.450 0.294 1.00 44.10 H new ATOM 0 HD3 LYS A 25 8.290 10.648 1.943 1.00 44.10 H new ATOM 0 HE2 LYS A 25 10.174 11.278 -0.324 1.00 13.24 H new ATOM 0 HE3 LYS A 25 8.905 12.421 0.069 1.00 13.24 H new ATOM 0 HZ1 LYS A 25 10.972 12.893 1.236 1.00 34.22 H new ATOM 0 HZ2 LYS A 25 9.718 12.544 2.326 1.00 34.22 H new ATOM 0 HZ3 LYS A 25 10.910 11.379 2.000 1.00 34.22 H new ATOM 394 N ARG A 26 11.203 7.610 -2.891 1.00 5.11 N ATOM 395 CA ARG A 26 11.475 7.516 -4.319 1.00 31.31 C ATOM 396 C ARG A 26 11.519 6.068 -4.784 1.00 12.42 C ATOM 397 O ARG A 26 11.006 5.747 -5.851 1.00 0.33 O ATOM 398 CB ARG A 26 12.791 8.214 -4.668 1.00 20.14 C ATOM 399 CG ARG A 26 13.177 8.080 -6.133 1.00 22.15 C ATOM 400 CD ARG A 26 14.450 8.841 -6.451 1.00 43.12 C ATOM 401 NE ARG A 26 14.918 8.578 -7.811 1.00 45.03 N ATOM 402 CZ ARG A 26 15.828 9.320 -8.439 1.00 53.41 C ATOM 403 NH1 ARG A 26 16.313 10.412 -7.864 1.00 35.31 N ATOM 404 NH2 ARG A 26 16.235 8.981 -9.654 1.00 64.55 N ATOM 0 H ARG A 26 11.923 8.097 -2.358 1.00 5.11 H new ATOM 0 HA ARG A 26 10.658 8.017 -4.838 1.00 31.31 H new ATOM 0 HB2 ARG A 26 12.710 9.272 -4.417 1.00 20.14 H new ATOM 0 HB3 ARG A 26 13.588 7.800 -4.051 1.00 20.14 H new ATOM 0 HG2 ARG A 26 13.312 7.027 -6.379 1.00 22.15 H new ATOM 0 HG3 ARG A 26 12.365 8.452 -6.758 1.00 22.15 H new ATOM 0 HD2 ARG A 26 14.274 9.910 -6.328 1.00 43.12 H new ATOM 0 HD3 ARG A 26 15.227 8.562 -5.739 1.00 43.12 H new ATOM 0 HE ARG A 26 14.524 7.779 -8.308 1.00 45.03 H new ATOM 0 HH11 ARG A 26 15.989 10.687 -6.937 1.00 35.31 H new ATOM 0 HH12 ARG A 26 17.010 10.977 -8.349 1.00 35.31 H new ATOM 0 HH21 ARG A 26 15.851 8.152 -10.108 1.00 64.55 H new ATOM 0 HH22 ARG A 26 16.932 9.549 -10.135 1.00 64.55 H new ATOM 418 N ARG A 27 12.123 5.197 -3.985 1.00 31.02 N ATOM 419 CA ARG A 27 12.249 3.792 -4.353 1.00 52.15 C ATOM 420 C ARG A 27 10.874 3.148 -4.539 1.00 64.34 C ATOM 421 O ARG A 27 10.632 2.459 -5.533 1.00 32.33 O ATOM 422 CB ARG A 27 13.054 3.023 -3.304 1.00 10.44 C ATOM 423 CG ARG A 27 13.303 1.572 -3.679 1.00 72.11 C ATOM 424 CD ARG A 27 13.949 1.465 -5.049 1.00 72.22 C ATOM 425 NE ARG A 27 14.146 0.079 -5.461 1.00 10.14 N ATOM 426 CZ ARG A 27 13.813 -0.398 -6.659 1.00 70.01 C ATOM 427 NH1 ARG A 27 13.236 0.396 -7.557 1.00 61.43 N ATOM 428 NH2 ARG A 27 14.054 -1.667 -6.962 1.00 11.02 N ATOM 0 H ARG A 27 12.532 5.437 -3.082 1.00 31.02 H new ATOM 0 HA ARG A 27 12.783 3.745 -5.302 1.00 52.15 H new ATOM 0 HB2 ARG A 27 14.012 3.521 -3.155 1.00 10.44 H new ATOM 0 HB3 ARG A 27 12.524 3.059 -2.352 1.00 10.44 H new ATOM 0 HG2 ARG A 27 13.946 1.105 -2.933 1.00 72.11 H new ATOM 0 HG3 ARG A 27 12.360 1.025 -3.674 1.00 72.11 H new ATOM 0 HD2 ARG A 27 13.325 1.975 -5.783 1.00 72.22 H new ATOM 0 HD3 ARG A 27 14.911 1.978 -5.036 1.00 72.22 H new ATOM 0 HE ARG A 27 14.565 -0.565 -4.790 1.00 10.14 H new ATOM 0 HH11 ARG A 27 13.048 1.372 -7.329 1.00 61.43 H new ATOM 0 HH12 ARG A 27 12.982 0.029 -8.474 1.00 61.43 H new ATOM 0 HH21 ARG A 27 14.495 -2.280 -6.277 1.00 11.02 H new ATOM 0 HH22 ARG A 27 13.798 -2.030 -7.880 1.00 11.02 H new ATOM 442 N ILE A 28 9.983 3.377 -3.583 1.00 21.40 N ATOM 443 CA ILE A 28 8.622 2.865 -3.656 1.00 13.00 C ATOM 444 C ILE A 28 7.889 3.427 -4.877 1.00 40.33 C ATOM 445 O ILE A 28 7.243 2.684 -5.624 1.00 44.42 O ATOM 446 CB ILE A 28 7.840 3.206 -2.371 1.00 43.11 C ATOM 447 CG1 ILE A 28 8.595 2.671 -1.150 1.00 2.05 C ATOM 448 CG2 ILE A 28 6.434 2.626 -2.426 1.00 72.32 C ATOM 449 CD1 ILE A 28 8.006 3.106 0.175 1.00 33.03 C ATOM 0 H ILE A 28 10.182 3.919 -2.742 1.00 21.40 H new ATOM 0 HA ILE A 28 8.681 1.781 -3.755 1.00 13.00 H new ATOM 0 HB ILE A 28 7.753 4.289 -2.289 1.00 43.11 H new ATOM 0 HG12 ILE A 28 8.607 1.582 -1.191 1.00 2.05 H new ATOM 0 HG13 ILE A 28 9.632 3.003 -1.202 1.00 2.05 H new ATOM 0 HG21 ILE A 28 5.900 2.878 -1.510 1.00 72.32 H new ATOM 0 HG22 ILE A 28 5.902 3.041 -3.282 1.00 72.32 H new ATOM 0 HG23 ILE A 28 6.491 1.542 -2.526 1.00 72.32 H new ATOM 0 HD11 ILE A 28 8.596 2.687 0.990 1.00 33.03 H new ATOM 0 HD12 ILE A 28 8.019 4.194 0.239 1.00 33.03 H new ATOM 0 HD13 ILE A 28 6.978 2.751 0.251 1.00 33.03 H new ATOM 461 N MET A 29 8.021 4.734 -5.092 1.00 73.12 N ATOM 462 CA MET A 29 7.372 5.397 -6.223 1.00 72.12 C ATOM 463 C MET A 29 7.970 4.931 -7.546 1.00 43.41 C ATOM 464 O MET A 29 7.286 4.880 -8.569 1.00 31.21 O ATOM 465 CB MET A 29 7.493 6.920 -6.109 1.00 64.32 C ATOM 466 CG MET A 29 6.808 7.504 -4.883 1.00 24.22 C ATOM 467 SD MET A 29 6.827 9.311 -4.866 1.00 30.12 S ATOM 468 CE MET A 29 8.589 9.635 -4.895 1.00 31.41 C ATOM 0 H MET A 29 8.571 5.355 -4.499 1.00 73.12 H new ATOM 0 HA MET A 29 6.317 5.126 -6.200 1.00 72.12 H new ATOM 0 HB2 MET A 29 8.549 7.190 -6.086 1.00 64.32 H new ATOM 0 HB3 MET A 29 7.067 7.376 -7.003 1.00 64.32 H new ATOM 0 HG2 MET A 29 5.776 7.156 -4.848 1.00 24.22 H new ATOM 0 HG3 MET A 29 7.301 7.131 -3.985 1.00 24.22 H new ATOM 0 HE1 MET A 29 8.762 10.710 -4.852 1.00 31.41 H new ATOM 0 HE2 MET A 29 9.061 9.157 -4.037 1.00 31.41 H new ATOM 0 HE3 MET A 29 9.017 9.235 -5.814 1.00 31.41 H new ATOM 478 N ASP A 30 9.249 4.588 -7.510 1.00 21.12 N ATOM 479 CA ASP A 30 9.970 4.115 -8.689 1.00 22.50 C ATOM 480 C ASP A 30 9.384 2.798 -9.187 1.00 3.12 C ATOM 481 O ASP A 30 9.310 2.550 -10.392 1.00 34.11 O ATOM 482 CB ASP A 30 11.452 3.935 -8.350 1.00 5.43 C ATOM 483 CG ASP A 30 12.291 3.535 -9.545 1.00 42.13 C ATOM 484 OD1 ASP A 30 12.635 4.423 -10.351 1.00 12.13 O ATOM 485 OD2 ASP A 30 12.636 2.344 -9.664 1.00 50.44 O ATOM 0 H ASP A 30 9.819 4.629 -6.665 1.00 21.12 H new ATOM 0 HA ASP A 30 9.868 4.857 -9.481 1.00 22.50 H new ATOM 0 HB2 ASP A 30 11.840 4.866 -7.937 1.00 5.43 H new ATOM 0 HB3 ASP A 30 11.551 3.176 -7.574 1.00 5.43 H new ATOM 491 N MET A 31 8.952 1.966 -8.249 1.00 70.23 N ATOM 492 CA MET A 31 8.359 0.675 -8.579 1.00 35.01 C ATOM 493 C MET A 31 6.924 0.842 -9.071 1.00 3.30 C ATOM 494 O MET A 31 6.366 -0.058 -9.704 1.00 42.20 O ATOM 495 CB MET A 31 8.409 -0.262 -7.369 1.00 23.20 C ATOM 496 CG MET A 31 9.818 -0.718 -7.018 1.00 72.03 C ATOM 497 SD MET A 31 9.881 -1.719 -5.521 1.00 73.44 S ATOM 498 CE MET A 31 9.353 -0.525 -4.296 1.00 54.15 C ATOM 0 H MET A 31 9.001 2.162 -7.249 1.00 70.23 H new ATOM 0 HA MET A 31 8.941 0.230 -9.386 1.00 35.01 H new ATOM 0 HB2 MET A 31 7.974 0.245 -6.508 1.00 23.20 H new ATOM 0 HB3 MET A 31 7.791 -1.137 -7.570 1.00 23.20 H new ATOM 0 HG2 MET A 31 10.226 -1.292 -7.850 1.00 72.03 H new ATOM 0 HG3 MET A 31 10.456 0.157 -6.891 1.00 72.03 H new ATOM 0 HE1 MET A 31 9.606 -0.889 -3.300 1.00 54.15 H new ATOM 0 HE2 MET A 31 9.856 0.425 -4.474 1.00 54.15 H new ATOM 0 HE3 MET A 31 8.275 -0.383 -4.367 1.00 54.15 H new ATOM 508 N GLY A 32 6.333 1.999 -8.792 1.00 53.31 N ATOM 509 CA GLY A 32 5.000 2.286 -9.288 1.00 12.32 C ATOM 510 C GLY A 32 4.045 2.756 -8.208 1.00 5.04 C ATOM 511 O GLY A 32 2.934 3.193 -8.507 1.00 24.33 O ATOM 0 H GLY A 32 6.752 2.742 -8.232 1.00 53.31 H new ATOM 0 HA2 GLY A 32 5.065 3.050 -10.063 1.00 12.32 H new ATOM 0 HA3 GLY A 32 4.594 1.390 -9.757 1.00 12.32 H new ATOM 515 N ILE A 33 4.468 2.677 -6.955 1.00 62.03 N ATOM 516 CA ILE A 33 3.599 3.036 -5.842 1.00 51.12 C ATOM 517 C ILE A 33 3.872 4.458 -5.367 1.00 34.12 C ATOM 518 O ILE A 33 4.863 4.717 -4.688 1.00 63.43 O ATOM 519 CB ILE A 33 3.766 2.063 -4.656 1.00 4.02 C ATOM 520 CG1 ILE A 33 3.603 0.617 -5.129 1.00 45.13 C ATOM 521 CG2 ILE A 33 2.754 2.384 -3.561 1.00 2.11 C ATOM 522 CD1 ILE A 33 3.823 -0.411 -4.042 1.00 14.23 C ATOM 0 H ILE A 33 5.402 2.370 -6.683 1.00 62.03 H new ATOM 0 HA ILE A 33 2.575 2.971 -6.209 1.00 51.12 H new ATOM 0 HB ILE A 33 4.769 2.182 -4.245 1.00 4.02 H new ATOM 0 HG12 ILE A 33 2.601 0.490 -5.539 1.00 45.13 H new ATOM 0 HG13 ILE A 33 4.306 0.429 -5.941 1.00 45.13 H new ATOM 0 HG21 ILE A 33 2.884 1.690 -2.731 1.00 2.11 H new ATOM 0 HG22 ILE A 33 2.910 3.404 -3.209 1.00 2.11 H new ATOM 0 HG23 ILE A 33 1.744 2.288 -3.960 1.00 2.11 H new ATOM 0 HD11 ILE A 33 3.690 -1.411 -4.455 1.00 14.23 H new ATOM 0 HD12 ILE A 33 4.834 -0.313 -3.648 1.00 14.23 H new ATOM 0 HD13 ILE A 33 3.103 -0.251 -3.239 1.00 14.23 H new ATOM 534 N THR A 34 2.996 5.378 -5.732 1.00 3.31 N ATOM 535 CA THR A 34 3.126 6.755 -5.294 1.00 51.12 C ATOM 536 C THR A 34 1.810 7.234 -4.684 1.00 1.13 C ATOM 537 O THR A 34 0.800 6.527 -4.725 1.00 14.32 O ATOM 538 CB THR A 34 3.551 7.687 -6.457 1.00 23.21 C ATOM 539 OG1 THR A 34 3.800 9.015 -5.969 1.00 41.15 O ATOM 540 CG2 THR A 34 2.488 7.732 -7.543 1.00 42.50 C ATOM 0 H THR A 34 2.189 5.196 -6.329 1.00 3.31 H new ATOM 0 HA THR A 34 3.910 6.795 -4.538 1.00 51.12 H new ATOM 0 HB THR A 34 4.467 7.283 -6.887 1.00 23.21 H new ATOM 0 HG1 THR A 34 4.716 9.071 -5.626 1.00 41.15 H new ATOM 0 HG21 THR A 34 2.815 8.394 -8.345 1.00 42.50 H new ATOM 0 HG22 THR A 34 2.332 6.729 -7.941 1.00 42.50 H new ATOM 0 HG23 THR A 34 1.554 8.105 -7.123 1.00 42.50 H new ATOM 548 N ARG A 35 1.829 8.428 -4.113 1.00 44.23 N ATOM 549 CA ARG A 35 0.655 8.981 -3.460 1.00 73.33 C ATOM 550 C ARG A 35 -0.416 9.315 -4.489 1.00 43.41 C ATOM 551 O ARG A 35 -0.113 9.757 -5.600 1.00 74.21 O ATOM 552 CB ARG A 35 1.030 10.221 -2.644 1.00 63.21 C ATOM 553 CG ARG A 35 1.702 11.320 -3.453 1.00 20.14 C ATOM 554 CD ARG A 35 2.164 12.453 -2.555 1.00 34.23 C ATOM 555 NE ARG A 35 1.057 13.027 -1.793 1.00 33.33 N ATOM 556 CZ ARG A 35 1.184 13.568 -0.582 1.00 74.24 C ATOM 557 NH1 ARG A 35 2.378 13.660 -0.009 1.00 35.34 N ATOM 558 NH2 ARG A 35 0.111 14.028 0.053 1.00 33.41 N ATOM 0 H ARG A 35 2.649 9.034 -4.089 1.00 44.23 H new ATOM 0 HA ARG A 35 0.252 8.233 -2.777 1.00 73.33 H new ATOM 0 HB2 ARG A 35 0.129 10.624 -2.182 1.00 63.21 H new ATOM 0 HB3 ARG A 35 1.696 9.922 -1.835 1.00 63.21 H new ATOM 0 HG2 ARG A 35 2.555 10.909 -3.993 1.00 20.14 H new ATOM 0 HG3 ARG A 35 1.007 11.704 -4.200 1.00 20.14 H new ATOM 0 HD2 ARG A 35 2.926 12.085 -1.868 1.00 34.23 H new ATOM 0 HD3 ARG A 35 2.630 13.230 -3.161 1.00 34.23 H new ATOM 0 HE ARG A 35 0.128 13.013 -2.215 1.00 33.33 H new ATOM 0 HH11 ARG A 35 3.205 13.315 -0.496 1.00 35.34 H new ATOM 0 HH12 ARG A 35 2.468 14.075 0.918 1.00 35.34 H new ATOM 0 HH21 ARG A 35 -0.807 13.966 -0.387 1.00 33.41 H new ATOM 0 HH22 ARG A 35 0.206 14.443 0.980 1.00 33.41 H new ATOM 572 N GLY A 36 -1.665 9.079 -4.125 1.00 25.25 N ATOM 573 CA GLY A 36 -2.762 9.305 -5.041 1.00 53.33 C ATOM 574 C GLY A 36 -3.187 8.030 -5.740 1.00 74.13 C ATOM 575 O GLY A 36 -4.310 7.930 -6.234 1.00 33.35 O ATOM 0 H GLY A 36 -1.940 8.733 -3.206 1.00 25.25 H new ATOM 0 HA2 GLY A 36 -3.610 9.720 -4.496 1.00 53.33 H new ATOM 0 HA3 GLY A 36 -2.467 10.046 -5.785 1.00 53.33 H new ATOM 579 N CYS A 37 -2.290 7.054 -5.782 1.00 52.25 N ATOM 580 CA CYS A 37 -2.593 5.772 -6.398 1.00 73.32 C ATOM 581 C CYS A 37 -3.426 4.905 -5.464 1.00 43.52 C ATOM 582 O CYS A 37 -3.308 4.997 -4.239 1.00 71.14 O ATOM 583 CB CYS A 37 -1.309 5.037 -6.781 1.00 22.11 C ATOM 584 SG CYS A 37 -0.366 5.838 -8.098 1.00 31.34 S ATOM 0 H CYS A 37 -1.348 7.127 -5.397 1.00 52.25 H new ATOM 0 HA CYS A 37 -3.170 5.966 -7.302 1.00 73.32 H new ATOM 0 HB2 CYS A 37 -0.676 4.949 -5.898 1.00 22.11 H new ATOM 0 HB3 CYS A 37 -1.562 4.024 -7.094 1.00 22.11 H new ATOM 0 HG CYS A 37 0.704 5.143 -8.350 1.00 31.34 H new ATOM 590 N GLU A 38 -4.268 4.076 -6.055 1.00 62.23 N ATOM 591 CA GLU A 38 -5.110 3.161 -5.302 1.00 20.13 C ATOM 592 C GLU A 38 -4.375 1.846 -5.054 1.00 43.53 C ATOM 593 O GLU A 38 -3.733 1.297 -5.952 1.00 30.42 O ATOM 594 CB GLU A 38 -6.415 2.909 -6.059 1.00 42.11 C ATOM 595 CG GLU A 38 -6.184 2.431 -7.478 1.00 73.42 C ATOM 596 CD GLU A 38 -7.460 2.224 -8.261 1.00 21.12 C ATOM 597 OE1 GLU A 38 -7.980 1.087 -8.269 1.00 22.04 O ATOM 598 OE2 GLU A 38 -7.932 3.187 -8.898 1.00 2.33 O ATOM 0 H GLU A 38 -4.388 4.017 -7.066 1.00 62.23 H new ATOM 0 HA GLU A 38 -5.345 3.611 -4.337 1.00 20.13 H new ATOM 0 HB2 GLU A 38 -7.005 2.167 -5.521 1.00 42.11 H new ATOM 0 HB3 GLU A 38 -7.001 3.828 -6.080 1.00 42.11 H new ATOM 0 HG2 GLU A 38 -5.561 3.157 -8.000 1.00 73.42 H new ATOM 0 HG3 GLU A 38 -5.628 1.494 -7.451 1.00 73.42 H new ATOM 606 N ILE A 39 -4.466 1.350 -3.836 1.00 21.13 N ATOM 607 CA ILE A 39 -3.791 0.125 -3.447 1.00 51.42 C ATOM 608 C ILE A 39 -4.788 -0.827 -2.807 1.00 34.43 C ATOM 609 O ILE A 39 -5.358 -0.512 -1.768 1.00 34.45 O ATOM 610 CB ILE A 39 -2.670 0.396 -2.412 1.00 0.44 C ATOM 611 CG1 ILE A 39 -1.744 1.530 -2.874 1.00 30.33 C ATOM 612 CG2 ILE A 39 -1.870 -0.875 -2.150 1.00 73.42 C ATOM 613 CD1 ILE A 39 -0.898 1.186 -4.075 1.00 12.13 C ATOM 0 H ILE A 39 -5.008 1.783 -3.088 1.00 21.13 H new ATOM 0 HA ILE A 39 -3.355 -0.306 -4.348 1.00 51.42 H new ATOM 0 HB ILE A 39 -3.142 0.711 -1.482 1.00 0.44 H new ATOM 0 HG12 ILE A 39 -2.349 2.406 -3.109 1.00 30.33 H new ATOM 0 HG13 ILE A 39 -1.088 1.808 -2.049 1.00 30.33 H new ATOM 0 HG21 ILE A 39 -1.087 -0.668 -1.421 1.00 73.42 H new ATOM 0 HG22 ILE A 39 -2.533 -1.648 -1.761 1.00 73.42 H new ATOM 0 HG23 ILE A 39 -1.418 -1.219 -3.080 1.00 73.42 H new ATOM 0 HD11 ILE A 39 -0.273 2.040 -4.337 1.00 12.13 H new ATOM 0 HD12 ILE A 39 -0.264 0.331 -3.841 1.00 12.13 H new ATOM 0 HD13 ILE A 39 -1.545 0.938 -4.917 1.00 12.13 H new ATOM 625 N TYR A 40 -5.025 -1.974 -3.410 1.00 44.24 N ATOM 626 CA TYR A 40 -5.819 -2.979 -2.733 1.00 53.12 C ATOM 627 C TYR A 40 -4.938 -4.173 -2.400 1.00 50.42 C ATOM 628 O TYR A 40 -4.173 -4.655 -3.243 1.00 72.42 O ATOM 629 CB TYR A 40 -7.077 -3.370 -3.533 1.00 34.21 C ATOM 630 CG TYR A 40 -6.900 -4.442 -4.586 1.00 61.21 C ATOM 631 CD1 TYR A 40 -6.984 -5.787 -4.246 1.00 22.43 C ATOM 632 CD2 TYR A 40 -6.688 -4.115 -5.919 1.00 61.24 C ATOM 633 CE1 TYR A 40 -6.850 -6.775 -5.198 1.00 72.23 C ATOM 634 CE2 TYR A 40 -6.562 -5.101 -6.882 1.00 33.42 C ATOM 635 CZ TYR A 40 -6.643 -6.430 -6.514 1.00 42.41 C ATOM 636 OH TYR A 40 -6.517 -7.417 -7.465 1.00 53.21 O ATOM 0 H TYR A 40 -4.691 -2.230 -4.339 1.00 44.24 H new ATOM 0 HA TYR A 40 -6.197 -2.560 -1.801 1.00 53.12 H new ATOM 0 HB2 TYR A 40 -7.839 -3.705 -2.829 1.00 34.21 H new ATOM 0 HB3 TYR A 40 -7.464 -2.475 -4.019 1.00 34.21 H new ATOM 0 HD1 TYR A 40 -7.158 -6.063 -3.216 1.00 22.43 H new ATOM 0 HD2 TYR A 40 -6.621 -3.077 -6.208 1.00 61.24 H new ATOM 0 HE1 TYR A 40 -6.907 -7.815 -4.912 1.00 72.23 H new ATOM 0 HE2 TYR A 40 -6.401 -4.833 -7.916 1.00 33.42 H new ATOM 0 HH TYR A 40 -6.376 -7.008 -8.344 1.00 53.21 H new ATOM 646 N ILE A 41 -5.008 -4.607 -1.151 1.00 63.30 N ATOM 647 CA ILE A 41 -4.149 -5.671 -0.665 1.00 31.43 C ATOM 648 C ILE A 41 -4.594 -7.005 -1.251 1.00 75.41 C ATOM 649 O ILE A 41 -5.671 -7.510 -0.928 1.00 53.45 O ATOM 650 CB ILE A 41 -4.125 -5.741 0.883 1.00 50.22 C ATOM 651 CG1 ILE A 41 -3.714 -4.391 1.493 1.00 13.02 C ATOM 652 CG2 ILE A 41 -3.170 -6.828 1.346 1.00 44.32 C ATOM 653 CD1 ILE A 41 -4.840 -3.382 1.593 1.00 22.42 C ATOM 0 H ILE A 41 -5.654 -4.236 -0.455 1.00 63.30 H new ATOM 0 HA ILE A 41 -3.133 -5.451 -0.992 1.00 31.43 H new ATOM 0 HB ILE A 41 -5.133 -5.979 1.223 1.00 50.22 H new ATOM 0 HG12 ILE A 41 -3.308 -4.565 2.490 1.00 13.02 H new ATOM 0 HG13 ILE A 41 -2.911 -3.964 0.892 1.00 13.02 H new ATOM 0 HG21 ILE A 41 -3.163 -6.866 2.435 1.00 44.32 H new ATOM 0 HG22 ILE A 41 -3.495 -7.790 0.951 1.00 44.32 H new ATOM 0 HG23 ILE A 41 -2.166 -6.608 0.984 1.00 44.32 H new ATOM 0 HD11 ILE A 41 -4.463 -2.459 2.034 1.00 22.42 H new ATOM 0 HD12 ILE A 41 -5.232 -3.175 0.597 1.00 22.42 H new ATOM 0 HD13 ILE A 41 -5.635 -3.785 2.220 1.00 22.42 H new ATOM 665 N ARG A 42 -3.756 -7.560 -2.115 1.00 44.32 N ATOM 666 CA ARG A 42 -4.114 -8.734 -2.902 1.00 32.23 C ATOM 667 C ARG A 42 -3.826 -10.022 -2.132 1.00 3.55 C ATOM 668 O ARG A 42 -4.723 -10.838 -1.920 1.00 64.22 O ATOM 669 CB ARG A 42 -3.337 -8.698 -4.228 1.00 3.15 C ATOM 670 CG ARG A 42 -3.854 -9.634 -5.321 1.00 42.31 C ATOM 671 CD ARG A 42 -3.366 -11.065 -5.142 1.00 12.52 C ATOM 672 NE ARG A 42 -3.073 -11.698 -6.427 1.00 10.20 N ATOM 673 CZ ARG A 42 -3.098 -13.009 -6.652 1.00 74.52 C ATOM 674 NH1 ARG A 42 -3.495 -13.852 -5.707 1.00 73.01 N ATOM 675 NH2 ARG A 42 -2.738 -13.468 -7.843 1.00 30.22 N ATOM 0 H ARG A 42 -2.813 -7.212 -2.291 1.00 44.32 H new ATOM 0 HA ARG A 42 -5.184 -8.718 -3.108 1.00 32.23 H new ATOM 0 HB2 ARG A 42 -3.353 -7.677 -4.611 1.00 3.15 H new ATOM 0 HB3 ARG A 42 -2.295 -8.946 -4.025 1.00 3.15 H new ATOM 0 HG2 ARG A 42 -4.944 -9.622 -5.319 1.00 42.31 H new ATOM 0 HG3 ARG A 42 -3.533 -9.263 -6.294 1.00 42.31 H new ATOM 0 HD2 ARG A 42 -2.470 -11.070 -4.521 1.00 12.52 H new ATOM 0 HD3 ARG A 42 -4.123 -11.645 -4.614 1.00 12.52 H new ATOM 0 HE ARG A 42 -2.831 -11.089 -7.209 1.00 10.20 H new ATOM 0 HH11 ARG A 42 -3.785 -13.497 -4.796 1.00 73.01 H new ATOM 0 HH12 ARG A 42 -3.510 -14.855 -5.892 1.00 73.01 H new ATOM 0 HH21 ARG A 42 -2.447 -12.818 -8.573 1.00 30.22 H new ATOM 0 HH22 ARG A 42 -2.753 -14.471 -8.029 1.00 30.22 H new ATOM 689 N LYS A 43 -2.580 -10.199 -1.712 1.00 71.15 N ATOM 690 CA LYS A 43 -2.175 -11.430 -1.052 1.00 2.13 C ATOM 691 C LYS A 43 -1.165 -11.149 0.057 1.00 10.42 C ATOM 692 O LYS A 43 -0.109 -10.569 -0.185 1.00 14.43 O ATOM 693 CB LYS A 43 -1.574 -12.398 -2.072 1.00 2.33 C ATOM 694 CG LYS A 43 -1.347 -13.790 -1.520 1.00 73.43 C ATOM 695 CD LYS A 43 -0.761 -14.715 -2.569 1.00 74.12 C ATOM 696 CE LYS A 43 -0.604 -16.125 -2.035 1.00 41.04 C ATOM 697 NZ LYS A 43 0.163 -16.156 -0.764 1.00 14.54 N ATOM 0 H LYS A 43 -1.837 -9.508 -1.817 1.00 71.15 H new ATOM 0 HA LYS A 43 -3.059 -11.883 -0.603 1.00 2.13 H new ATOM 0 HB2 LYS A 43 -2.236 -12.461 -2.936 1.00 2.33 H new ATOM 0 HB3 LYS A 43 -0.625 -11.997 -2.427 1.00 2.33 H new ATOM 0 HG2 LYS A 43 -0.675 -13.738 -0.663 1.00 73.43 H new ATOM 0 HG3 LYS A 43 -2.291 -14.198 -1.160 1.00 73.43 H new ATOM 0 HD2 LYS A 43 -1.406 -14.726 -3.448 1.00 74.12 H new ATOM 0 HD3 LYS A 43 0.209 -14.336 -2.890 1.00 74.12 H new ATOM 0 HE2 LYS A 43 -1.589 -16.564 -1.875 1.00 41.04 H new ATOM 0 HE3 LYS A 43 -0.098 -16.740 -2.779 1.00 41.04 H new ATOM 0 HZ1 LYS A 43 0.452 -17.133 -0.557 1.00 14.54 H new ATOM 0 HZ2 LYS A 43 1.008 -15.557 -0.854 1.00 14.54 H new ATOM 0 HZ3 LYS A 43 -0.433 -15.800 0.010 1.00 14.54 H new ATOM 711 N VAL A 44 -1.498 -11.552 1.274 1.00 11.32 N ATOM 712 CA VAL A 44 -0.596 -11.389 2.405 1.00 34.30 C ATOM 713 C VAL A 44 -0.037 -12.740 2.827 1.00 3.55 C ATOM 714 O VAL A 44 -0.799 -13.680 3.066 1.00 4.34 O ATOM 715 CB VAL A 44 -1.308 -10.738 3.615 1.00 24.10 C ATOM 716 CG1 VAL A 44 -0.332 -10.492 4.755 1.00 61.13 C ATOM 717 CG2 VAL A 44 -1.994 -9.445 3.206 1.00 4.24 C ATOM 0 H VAL A 44 -2.387 -11.995 1.504 1.00 11.32 H new ATOM 0 HA VAL A 44 0.212 -10.732 2.085 1.00 34.30 H new ATOM 0 HB VAL A 44 -2.071 -11.432 3.968 1.00 24.10 H new ATOM 0 HG11 VAL A 44 -0.859 -10.034 5.592 1.00 61.13 H new ATOM 0 HG12 VAL A 44 0.102 -11.440 5.074 1.00 61.13 H new ATOM 0 HG13 VAL A 44 0.462 -9.826 4.417 1.00 61.13 H new ATOM 0 HG21 VAL A 44 -2.488 -9.005 4.073 1.00 4.24 H new ATOM 0 HG22 VAL A 44 -1.253 -8.747 2.818 1.00 4.24 H new ATOM 0 HG23 VAL A 44 -2.734 -9.654 2.434 1.00 4.24 H new ATOM 727 N ALA A 45 1.284 -12.850 2.895 1.00 61.43 N ATOM 728 CA ALA A 45 1.918 -14.067 3.382 1.00 53.55 C ATOM 729 C ALA A 45 1.557 -14.295 4.849 1.00 21.43 C ATOM 730 O ALA A 45 1.389 -13.331 5.593 1.00 1.42 O ATOM 731 CB ALA A 45 3.427 -13.986 3.203 1.00 5.25 C ATOM 0 H ALA A 45 1.934 -12.114 2.620 1.00 61.43 H new ATOM 0 HA ALA A 45 1.552 -14.913 2.801 1.00 53.55 H new ATOM 0 HB1 ALA A 45 3.887 -14.903 3.572 1.00 5.25 H new ATOM 0 HB2 ALA A 45 3.662 -13.862 2.146 1.00 5.25 H new ATOM 0 HB3 ALA A 45 3.815 -13.135 3.763 1.00 5.25 H new ATOM 737 N PRO A 46 1.413 -15.566 5.268 1.00 14.05 N ATOM 738 CA PRO A 46 1.027 -15.940 6.637 1.00 3.52 C ATOM 739 C PRO A 46 1.737 -15.124 7.715 1.00 14.22 C ATOM 740 O PRO A 46 1.113 -14.640 8.662 1.00 75.00 O ATOM 741 CB PRO A 46 1.446 -17.416 6.748 1.00 51.13 C ATOM 742 CG PRO A 46 2.037 -17.792 5.424 1.00 63.21 C ATOM 743 CD PRO A 46 1.591 -16.758 4.434 1.00 53.13 C ATOM 0 HA PRO A 46 -0.035 -15.758 6.799 1.00 3.52 H new ATOM 0 HB2 PRO A 46 2.172 -17.554 7.550 1.00 51.13 H new ATOM 0 HB3 PRO A 46 0.588 -18.046 6.983 1.00 51.13 H new ATOM 0 HG2 PRO A 46 3.125 -17.825 5.483 1.00 63.21 H new ATOM 0 HG3 PRO A 46 1.704 -18.785 5.121 1.00 63.21 H new ATOM 0 HD2 PRO A 46 2.335 -16.598 3.653 1.00 53.13 H new ATOM 0 HD3 PRO A 46 0.665 -17.046 3.937 1.00 53.13 H new ATOM 751 N LEU A 47 3.046 -14.981 7.560 1.00 22.23 N ATOM 752 CA LEU A 47 3.863 -14.265 8.528 1.00 61.22 C ATOM 753 C LEU A 47 3.572 -12.765 8.470 1.00 54.41 C ATOM 754 O LEU A 47 3.562 -12.079 9.494 1.00 62.11 O ATOM 755 CB LEU A 47 5.347 -14.558 8.248 1.00 74.41 C ATOM 756 CG LEU A 47 6.358 -14.086 9.303 1.00 72.52 C ATOM 757 CD1 LEU A 47 6.679 -12.605 9.144 1.00 51.23 C ATOM 758 CD2 LEU A 47 5.843 -14.373 10.706 1.00 32.42 C ATOM 0 H LEU A 47 3.567 -15.355 6.767 1.00 22.23 H new ATOM 0 HA LEU A 47 3.621 -14.605 9.535 1.00 61.22 H new ATOM 0 HB2 LEU A 47 5.463 -15.635 8.124 1.00 74.41 H new ATOM 0 HB3 LEU A 47 5.610 -14.098 7.296 1.00 74.41 H new ATOM 0 HG LEU A 47 7.281 -14.645 9.150 1.00 72.52 H new ATOM 0 HD11 LEU A 47 7.397 -12.304 9.907 1.00 51.23 H new ATOM 0 HD12 LEU A 47 7.104 -12.429 8.156 1.00 51.23 H new ATOM 0 HD13 LEU A 47 5.766 -12.021 9.256 1.00 51.23 H new ATOM 0 HD21 LEU A 47 6.574 -14.031 11.439 1.00 32.42 H new ATOM 0 HD22 LEU A 47 4.900 -13.849 10.862 1.00 32.42 H new ATOM 0 HD23 LEU A 47 5.686 -15.445 10.824 1.00 32.42 H new ATOM 770 N GLY A 48 3.298 -12.270 7.273 1.00 2.53 N ATOM 771 CA GLY A 48 3.112 -10.848 7.079 1.00 44.34 C ATOM 772 C GLY A 48 4.166 -10.271 6.165 1.00 61.50 C ATOM 773 O GLY A 48 4.145 -9.086 5.841 1.00 11.13 O ATOM 0 H GLY A 48 3.201 -12.832 6.427 1.00 2.53 H new ATOM 0 HA2 GLY A 48 2.124 -10.664 6.658 1.00 44.34 H new ATOM 0 HA3 GLY A 48 3.148 -10.341 8.043 1.00 44.34 H new ATOM 777 N ASP A 49 5.096 -11.122 5.758 1.00 33.25 N ATOM 778 CA ASP A 49 6.162 -10.729 4.852 1.00 34.00 C ATOM 779 C ASP A 49 6.400 -11.831 3.825 1.00 21.04 C ATOM 780 O ASP A 49 6.647 -12.981 4.193 1.00 21.51 O ATOM 781 CB ASP A 49 7.450 -10.449 5.635 1.00 35.45 C ATOM 782 CG ASP A 49 8.593 -10.010 4.740 1.00 24.31 C ATOM 783 OD1 ASP A 49 9.458 -10.852 4.415 1.00 63.44 O ATOM 784 OD2 ASP A 49 8.627 -8.826 4.358 1.00 71.05 O ATOM 0 H ASP A 49 5.132 -12.100 6.046 1.00 33.25 H new ATOM 0 HA ASP A 49 5.866 -9.817 4.333 1.00 34.00 H new ATOM 0 HB2 ASP A 49 7.258 -9.675 6.378 1.00 35.45 H new ATOM 0 HB3 ASP A 49 7.743 -11.347 6.178 1.00 35.45 H new ATOM 790 N PRO A 50 6.321 -11.505 2.527 1.00 24.33 N ATOM 791 CA PRO A 50 6.018 -10.156 2.053 1.00 73.04 C ATOM 792 C PRO A 50 4.519 -9.912 1.883 1.00 40.01 C ATOM 793 O PRO A 50 3.692 -10.776 2.194 1.00 65.53 O ATOM 794 CB PRO A 50 6.709 -10.145 0.696 1.00 73.31 C ATOM 795 CG PRO A 50 6.515 -11.532 0.184 1.00 2.25 C ATOM 796 CD PRO A 50 6.533 -12.433 1.398 1.00 14.22 C ATOM 0 HA PRO A 50 6.345 -9.382 2.747 1.00 73.04 H new ATOM 0 HB2 PRO A 50 6.266 -9.407 0.028 1.00 73.31 H new ATOM 0 HB3 PRO A 50 7.766 -9.897 0.788 1.00 73.31 H new ATOM 0 HG2 PRO A 50 5.571 -11.621 -0.353 1.00 2.25 H new ATOM 0 HG3 PRO A 50 7.306 -11.804 -0.515 1.00 2.25 H new ATOM 0 HD2 PRO A 50 5.748 -13.188 1.348 1.00 14.22 H new ATOM 0 HD3 PRO A 50 7.481 -12.964 1.489 1.00 14.22 H new ATOM 804 N ILE A 51 4.177 -8.735 1.385 1.00 54.43 N ATOM 805 CA ILE A 51 2.800 -8.402 1.079 1.00 61.12 C ATOM 806 C ILE A 51 2.660 -8.102 -0.407 1.00 22.42 C ATOM 807 O ILE A 51 3.326 -7.210 -0.940 1.00 62.14 O ATOM 808 CB ILE A 51 2.306 -7.186 1.894 1.00 62.20 C ATOM 809 CG1 ILE A 51 2.403 -7.478 3.393 1.00 4.14 C ATOM 810 CG2 ILE A 51 0.873 -6.837 1.511 1.00 12.42 C ATOM 811 CD1 ILE A 51 2.008 -6.307 4.267 1.00 5.12 C ATOM 0 H ILE A 51 4.843 -7.989 1.183 1.00 54.43 H new ATOM 0 HA ILE A 51 2.187 -9.261 1.350 1.00 61.12 H new ATOM 0 HB ILE A 51 2.942 -6.331 1.665 1.00 62.20 H new ATOM 0 HG12 ILE A 51 1.765 -8.329 3.631 1.00 4.14 H new ATOM 0 HG13 ILE A 51 3.426 -7.770 3.632 1.00 4.14 H new ATOM 0 HG21 ILE A 51 0.539 -5.978 2.094 1.00 12.42 H new ATOM 0 HG22 ILE A 51 0.829 -6.594 0.449 1.00 12.42 H new ATOM 0 HG23 ILE A 51 0.224 -7.689 1.716 1.00 12.42 H new ATOM 0 HD11 ILE A 51 2.102 -6.588 5.316 1.00 5.12 H new ATOM 0 HD12 ILE A 51 2.662 -5.460 4.058 1.00 5.12 H new ATOM 0 HD13 ILE A 51 0.975 -6.028 4.057 1.00 5.12 H new ATOM 823 N GLN A 52 1.808 -8.860 -1.078 1.00 35.33 N ATOM 824 CA GLN A 52 1.580 -8.669 -2.496 1.00 74.21 C ATOM 825 C GLN A 52 0.361 -7.783 -2.711 1.00 63.50 C ATOM 826 O GLN A 52 -0.762 -8.138 -2.339 1.00 33.03 O ATOM 827 CB GLN A 52 1.402 -10.021 -3.190 1.00 12.44 C ATOM 828 CG GLN A 52 1.282 -9.927 -4.704 1.00 43.03 C ATOM 829 CD GLN A 52 1.260 -11.289 -5.368 1.00 5.51 C ATOM 830 OE1 GLN A 52 0.198 -11.881 -5.564 1.00 41.03 O ATOM 831 NE2 GLN A 52 2.434 -11.798 -5.716 1.00 10.43 N ATOM 0 H GLN A 52 1.263 -9.614 -0.660 1.00 35.33 H new ATOM 0 HA GLN A 52 2.447 -8.174 -2.934 1.00 74.21 H new ATOM 0 HB2 GLN A 52 2.249 -10.660 -2.942 1.00 12.44 H new ATOM 0 HB3 GLN A 52 0.510 -10.507 -2.794 1.00 12.44 H new ATOM 0 HG2 GLN A 52 0.371 -9.386 -4.961 1.00 43.03 H new ATOM 0 HG3 GLN A 52 2.118 -9.348 -5.097 1.00 43.03 H new ATOM 0 HE21 GLN A 52 3.291 -11.274 -5.536 1.00 10.43 H new ATOM 0 HE22 GLN A 52 2.480 -12.713 -6.164 1.00 10.43 H new ATOM 840 N ILE A 53 0.590 -6.625 -3.299 1.00 54.32 N ATOM 841 CA ILE A 53 -0.468 -5.658 -3.534 1.00 54.32 C ATOM 842 C ILE A 53 -0.565 -5.317 -5.016 1.00 33.41 C ATOM 843 O ILE A 53 0.429 -5.354 -5.736 1.00 44.45 O ATOM 844 CB ILE A 53 -0.264 -4.372 -2.687 1.00 11.12 C ATOM 845 CG1 ILE A 53 1.227 -4.058 -2.464 1.00 74.51 C ATOM 846 CG2 ILE A 53 -0.969 -4.509 -1.349 1.00 61.21 C ATOM 847 CD1 ILE A 53 1.973 -3.612 -3.702 1.00 33.05 C ATOM 0 H ILE A 53 1.509 -6.328 -3.626 1.00 54.32 H new ATOM 0 HA ILE A 53 -1.407 -6.113 -3.221 1.00 54.32 H new ATOM 0 HB ILE A 53 -0.697 -3.542 -3.245 1.00 11.12 H new ATOM 0 HG12 ILE A 53 1.310 -3.279 -1.706 1.00 74.51 H new ATOM 0 HG13 ILE A 53 1.715 -4.946 -2.063 1.00 74.51 H new ATOM 0 HG21 ILE A 53 -0.819 -3.602 -0.764 1.00 61.21 H new ATOM 0 HG22 ILE A 53 -2.036 -4.662 -1.514 1.00 61.21 H new ATOM 0 HG23 ILE A 53 -0.559 -5.362 -0.807 1.00 61.21 H new ATOM 0 HD11 ILE A 53 3.014 -3.414 -3.448 1.00 33.05 H new ATOM 0 HD12 ILE A 53 1.927 -4.397 -4.457 1.00 33.05 H new ATOM 0 HD13 ILE A 53 1.516 -2.704 -4.095 1.00 33.05 H new ATOM 859 N ASN A 54 -1.766 -5.013 -5.476 1.00 61.14 N ATOM 860 CA ASN A 54 -1.970 -4.710 -6.885 1.00 32.12 C ATOM 861 C ASN A 54 -1.986 -3.205 -7.103 1.00 23.31 C ATOM 862 O ASN A 54 -2.890 -2.508 -6.637 1.00 14.51 O ATOM 863 CB ASN A 54 -3.272 -5.331 -7.395 1.00 72.21 C ATOM 864 CG ASN A 54 -3.446 -5.157 -8.890 1.00 72.11 C ATOM 865 OD1 ASN A 54 -3.987 -4.154 -9.354 1.00 73.35 O ATOM 866 ND2 ASN A 54 -2.997 -6.141 -9.657 1.00 64.04 N ATOM 0 H ASN A 54 -2.608 -4.969 -4.902 1.00 61.14 H new ATOM 0 HA ASN A 54 -1.142 -5.141 -7.449 1.00 32.12 H new ATOM 0 HB2 ASN A 54 -3.285 -6.393 -7.151 1.00 72.21 H new ATOM 0 HB3 ASN A 54 -4.116 -4.875 -6.878 1.00 72.21 H new ATOM 0 HD21 ASN A 54 -3.094 -6.083 -10.671 1.00 64.04 H new ATOM 0 HD22 ASN A 54 -2.554 -6.956 -9.233 1.00 64.04 H new ATOM 873 N VAL A 55 -0.973 -2.713 -7.800 1.00 31.41 N ATOM 874 CA VAL A 55 -0.826 -1.290 -8.052 1.00 3.14 C ATOM 875 C VAL A 55 -0.845 -1.023 -9.550 1.00 14.53 C ATOM 876 O VAL A 55 -0.067 -1.613 -10.299 1.00 61.43 O ATOM 877 CB VAL A 55 0.493 -0.751 -7.463 1.00 64.40 C ATOM 878 CG1 VAL A 55 0.554 0.765 -7.575 1.00 11.42 C ATOM 879 CG2 VAL A 55 0.657 -1.197 -6.018 1.00 3.14 C ATOM 0 H VAL A 55 -0.233 -3.287 -8.205 1.00 31.41 H new ATOM 0 HA VAL A 55 -1.660 -0.779 -7.570 1.00 3.14 H new ATOM 0 HB VAL A 55 1.320 -1.164 -8.041 1.00 64.40 H new ATOM 0 HG11 VAL A 55 1.493 1.124 -7.153 1.00 11.42 H new ATOM 0 HG12 VAL A 55 0.493 1.055 -8.624 1.00 11.42 H new ATOM 0 HG13 VAL A 55 -0.280 1.204 -7.028 1.00 11.42 H new ATOM 0 HG21 VAL A 55 1.594 -0.806 -5.621 1.00 3.14 H new ATOM 0 HG22 VAL A 55 -0.175 -0.819 -5.424 1.00 3.14 H new ATOM 0 HG23 VAL A 55 0.670 -2.286 -5.973 1.00 3.14 H new ATOM 889 N ARG A 56 -1.757 -0.149 -9.979 1.00 50.42 N ATOM 890 CA ARG A 56 -1.882 0.242 -11.387 1.00 41.44 C ATOM 891 C ARG A 56 -2.358 -0.932 -12.241 1.00 53.44 C ATOM 892 O ARG A 56 -2.333 -0.873 -13.472 1.00 53.43 O ATOM 893 CB ARG A 56 -0.546 0.769 -11.929 1.00 43.03 C ATOM 894 CG ARG A 56 0.046 1.915 -11.121 1.00 41.52 C ATOM 895 CD ARG A 56 -0.875 3.122 -11.090 1.00 24.35 C ATOM 896 NE ARG A 56 -1.074 3.704 -12.419 1.00 53.34 N ATOM 897 CZ ARG A 56 -1.595 4.910 -12.627 1.00 10.40 C ATOM 898 NH1 ARG A 56 -1.923 5.681 -11.597 1.00 3.41 N ATOM 899 NH2 ARG A 56 -1.771 5.353 -13.864 1.00 4.52 N ATOM 0 H ARG A 56 -2.429 0.308 -9.363 1.00 50.42 H new ATOM 0 HA ARG A 56 -2.624 1.039 -11.442 1.00 41.44 H new ATOM 0 HB2 ARG A 56 0.172 -0.051 -11.955 1.00 43.03 H new ATOM 0 HB3 ARG A 56 -0.689 1.100 -12.958 1.00 43.03 H new ATOM 0 HG2 ARG A 56 0.238 1.579 -10.102 1.00 41.52 H new ATOM 0 HG3 ARG A 56 1.007 2.202 -11.549 1.00 41.52 H new ATOM 0 HD2 ARG A 56 -1.840 2.829 -10.676 1.00 24.35 H new ATOM 0 HD3 ARG A 56 -0.458 3.877 -10.424 1.00 24.35 H new ATOM 0 HE ARG A 56 -0.797 3.153 -13.232 1.00 53.34 H new ATOM 0 HH11 ARG A 56 -1.776 5.349 -10.644 1.00 3.41 H new ATOM 0 HH12 ARG A 56 -2.322 6.606 -11.759 1.00 3.41 H new ATOM 0 HH21 ARG A 56 -1.507 4.769 -14.657 1.00 4.52 H new ATOM 0 HH22 ARG A 56 -2.171 6.278 -14.022 1.00 4.52 H new ATOM 913 N GLY A 57 -2.809 -1.990 -11.583 1.00 64.55 N ATOM 914 CA GLY A 57 -3.204 -3.193 -12.282 1.00 2.11 C ATOM 915 C GLY A 57 -2.127 -4.259 -12.223 1.00 3.41 C ATOM 916 O GLY A 57 -2.386 -5.435 -12.489 1.00 53.44 O ATOM 0 H GLY A 57 -2.908 -2.035 -10.569 1.00 64.55 H new ATOM 0 HA2 GLY A 57 -4.124 -3.581 -11.845 1.00 2.11 H new ATOM 0 HA3 GLY A 57 -3.422 -2.954 -13.323 1.00 2.11 H new ATOM 920 N TYR A 58 -0.923 -3.847 -11.846 1.00 61.21 N ATOM 921 CA TYR A 58 0.218 -4.748 -11.777 1.00 73.35 C ATOM 922 C TYR A 58 0.471 -5.167 -10.328 1.00 31.31 C ATOM 923 O TYR A 58 0.485 -4.332 -9.426 1.00 63.22 O ATOM 924 CB TYR A 58 1.456 -4.052 -12.358 1.00 50.22 C ATOM 925 CG TYR A 58 2.644 -4.964 -12.558 1.00 51.32 C ATOM 926 CD1 TYR A 58 2.721 -5.794 -13.666 1.00 64.21 C ATOM 927 CD2 TYR A 58 3.693 -4.988 -11.645 1.00 60.14 C ATOM 928 CE1 TYR A 58 3.806 -6.625 -13.860 1.00 54.45 C ATOM 929 CE2 TYR A 58 4.782 -5.818 -11.832 1.00 0.14 C ATOM 930 CZ TYR A 58 4.834 -6.634 -12.942 1.00 44.35 C ATOM 931 OH TYR A 58 5.917 -7.462 -13.135 1.00 54.03 O ATOM 0 H TYR A 58 -0.712 -2.885 -11.581 1.00 61.21 H new ATOM 0 HA TYR A 58 0.007 -5.643 -12.362 1.00 73.35 H new ATOM 0 HB2 TYR A 58 1.191 -3.604 -13.316 1.00 50.22 H new ATOM 0 HB3 TYR A 58 1.746 -3.237 -11.694 1.00 50.22 H new ATOM 0 HD1 TYR A 58 1.919 -5.790 -14.389 1.00 64.21 H new ATOM 0 HD2 TYR A 58 3.656 -4.348 -10.776 1.00 60.14 H new ATOM 0 HE1 TYR A 58 3.849 -7.266 -14.728 1.00 54.45 H new ATOM 0 HE2 TYR A 58 5.588 -5.827 -11.113 1.00 0.14 H new ATOM 0 HH TYR A 58 6.553 -7.346 -12.398 1.00 54.03 H new ATOM 941 N GLU A 59 0.656 -6.456 -10.104 1.00 14.04 N ATOM 942 CA GLU A 59 0.884 -6.967 -8.761 1.00 31.34 C ATOM 943 C GLU A 59 2.348 -6.816 -8.356 1.00 54.23 C ATOM 944 O GLU A 59 3.254 -7.274 -9.058 1.00 61.11 O ATOM 945 CB GLU A 59 0.433 -8.431 -8.637 1.00 11.13 C ATOM 946 CG GLU A 59 0.934 -9.351 -9.744 1.00 35.42 C ATOM 947 CD GLU A 59 0.100 -9.273 -11.009 1.00 10.42 C ATOM 948 OE1 GLU A 59 0.402 -8.431 -11.880 1.00 70.31 O ATOM 949 OE2 GLU A 59 -0.867 -10.055 -11.135 1.00 14.13 O ATOM 0 H GLU A 59 0.653 -7.169 -10.833 1.00 14.04 H new ATOM 0 HA GLU A 59 0.280 -6.371 -8.076 1.00 31.34 H new ATOM 0 HB2 GLU A 59 0.774 -8.821 -7.678 1.00 11.13 H new ATOM 0 HB3 GLU A 59 -0.657 -8.461 -8.625 1.00 11.13 H new ATOM 0 HG2 GLU A 59 1.967 -9.095 -9.981 1.00 35.42 H new ATOM 0 HG3 GLU A 59 0.936 -10.379 -9.381 1.00 35.42 H new ATOM 957 N LEU A 60 2.567 -6.155 -7.230 1.00 2.53 N ATOM 958 CA LEU A 60 3.907 -5.941 -6.706 1.00 34.12 C ATOM 959 C LEU A 60 4.057 -6.625 -5.354 1.00 12.53 C ATOM 960 O LEU A 60 3.076 -6.821 -4.637 1.00 62.11 O ATOM 961 CB LEU A 60 4.201 -4.442 -6.567 1.00 43.21 C ATOM 962 CG LEU A 60 4.321 -3.672 -7.885 1.00 22.21 C ATOM 963 CD1 LEU A 60 4.450 -2.179 -7.623 1.00 1.23 C ATOM 964 CD2 LEU A 60 5.517 -4.175 -8.681 1.00 60.32 C ATOM 0 H LEU A 60 1.825 -5.754 -6.656 1.00 2.53 H new ATOM 0 HA LEU A 60 4.622 -6.373 -7.407 1.00 34.12 H new ATOM 0 HB2 LEU A 60 3.410 -3.987 -5.971 1.00 43.21 H new ATOM 0 HB3 LEU A 60 5.130 -4.321 -6.009 1.00 43.21 H new ATOM 0 HG LEU A 60 3.416 -3.841 -8.468 1.00 22.21 H new ATOM 0 HD11 LEU A 60 4.534 -1.649 -8.572 1.00 1.23 H new ATOM 0 HD12 LEU A 60 3.569 -1.826 -7.087 1.00 1.23 H new ATOM 0 HD13 LEU A 60 5.340 -1.991 -7.022 1.00 1.23 H new ATOM 0 HD21 LEU A 60 5.591 -3.620 -9.616 1.00 60.32 H new ATOM 0 HD22 LEU A 60 6.428 -4.031 -8.100 1.00 60.32 H new ATOM 0 HD23 LEU A 60 5.390 -5.236 -8.898 1.00 60.32 H new ATOM 976 N SER A 61 5.279 -6.985 -5.015 1.00 62.55 N ATOM 977 CA SER A 61 5.554 -7.645 -3.750 1.00 63.42 C ATOM 978 C SER A 61 6.505 -6.795 -2.913 1.00 14.12 C ATOM 979 O SER A 61 7.688 -6.668 -3.239 1.00 40.31 O ATOM 980 CB SER A 61 6.153 -9.036 -4.003 1.00 74.21 C ATOM 981 OG SER A 61 6.357 -9.750 -2.793 1.00 24.34 O ATOM 0 H SER A 61 6.101 -6.832 -5.599 1.00 62.55 H new ATOM 0 HA SER A 61 4.621 -7.764 -3.199 1.00 63.42 H new ATOM 0 HB2 SER A 61 5.489 -9.605 -4.653 1.00 74.21 H new ATOM 0 HB3 SER A 61 7.102 -8.933 -4.529 1.00 74.21 H new ATOM 0 HG SER A 61 6.738 -10.631 -2.993 1.00 24.34 H new ATOM 987 N LEU A 62 5.981 -6.188 -1.859 1.00 14.33 N ATOM 988 CA LEU A 62 6.801 -5.393 -0.960 1.00 45.05 C ATOM 989 C LEU A 62 7.009 -6.126 0.350 1.00 3.22 C ATOM 990 O LEU A 62 6.108 -6.812 0.837 1.00 54.32 O ATOM 991 CB LEU A 62 6.167 -4.024 -0.687 1.00 65.42 C ATOM 992 CG LEU A 62 6.377 -2.972 -1.777 1.00 74.14 C ATOM 993 CD1 LEU A 62 5.829 -1.623 -1.335 1.00 2.12 C ATOM 994 CD2 LEU A 62 7.853 -2.854 -2.119 1.00 75.10 C ATOM 0 H LEU A 62 4.994 -6.231 -1.606 1.00 14.33 H new ATOM 0 HA LEU A 62 7.764 -5.235 -1.446 1.00 45.05 H new ATOM 0 HB2 LEU A 62 5.096 -4.162 -0.541 1.00 65.42 H new ATOM 0 HB3 LEU A 62 6.569 -3.637 0.249 1.00 65.42 H new ATOM 0 HG LEU A 62 5.835 -3.288 -2.668 1.00 74.14 H new ATOM 0 HD11 LEU A 62 5.989 -0.889 -2.125 1.00 2.12 H new ATOM 0 HD12 LEU A 62 4.762 -1.712 -1.133 1.00 2.12 H new ATOM 0 HD13 LEU A 62 6.344 -1.300 -0.430 1.00 2.12 H new ATOM 0 HD21 LEU A 62 7.987 -2.102 -2.896 1.00 75.10 H new ATOM 0 HD22 LEU A 62 8.410 -2.560 -1.229 1.00 75.10 H new ATOM 0 HD23 LEU A 62 8.222 -3.815 -2.477 1.00 75.10 H new ATOM 1006 N ARG A 63 8.196 -5.995 0.912 1.00 13.10 N ATOM 1007 CA ARG A 63 8.473 -6.577 2.211 1.00 0.53 C ATOM 1008 C ARG A 63 7.779 -5.762 3.290 1.00 4.14 C ATOM 1009 O ARG A 63 7.449 -4.591 3.075 1.00 31.24 O ATOM 1010 CB ARG A 63 9.979 -6.643 2.470 1.00 40.14 C ATOM 1011 CG ARG A 63 10.723 -7.515 1.473 1.00 50.43 C ATOM 1012 CD ARG A 63 12.160 -7.755 1.903 1.00 22.24 C ATOM 1013 NE ARG A 63 12.900 -6.509 2.092 1.00 25.22 N ATOM 1014 CZ ARG A 63 14.010 -6.407 2.820 1.00 0.00 C ATOM 1015 NH1 ARG A 63 14.519 -7.482 3.415 1.00 33.23 N ATOM 1016 NH2 ARG A 63 14.615 -5.232 2.943 1.00 1.34 N ATOM 0 H ARG A 63 8.979 -5.494 0.492 1.00 13.10 H new ATOM 0 HA ARG A 63 8.089 -7.597 2.230 1.00 0.53 H new ATOM 0 HB2 ARG A 63 10.391 -5.634 2.438 1.00 40.14 H new ATOM 0 HB3 ARG A 63 10.151 -7.026 3.476 1.00 40.14 H new ATOM 0 HG2 ARG A 63 10.209 -8.471 1.370 1.00 50.43 H new ATOM 0 HG3 ARG A 63 10.711 -7.039 0.492 1.00 50.43 H new ATOM 0 HD2 ARG A 63 12.168 -8.324 2.833 1.00 22.24 H new ATOM 0 HD3 ARG A 63 12.664 -8.364 1.152 1.00 22.24 H new ATOM 0 HE ARG A 63 12.545 -5.667 1.639 1.00 25.22 H new ATOM 0 HH11 ARG A 63 14.059 -8.387 3.314 1.00 33.23 H new ATOM 0 HH12 ARG A 63 15.370 -7.402 3.972 1.00 33.23 H new ATOM 0 HH21 ARG A 63 14.229 -4.409 2.480 1.00 1.34 H new ATOM 0 HH22 ARG A 63 15.465 -5.152 3.500 1.00 1.34 H new ATOM 1030 N LYS A 64 7.566 -6.378 4.445 1.00 22.24 N ATOM 1031 CA LYS A 64 6.832 -5.744 5.537 1.00 52.53 C ATOM 1032 C LYS A 64 7.420 -4.379 5.892 1.00 20.42 C ATOM 1033 O LYS A 64 6.682 -3.439 6.172 1.00 63.54 O ATOM 1034 CB LYS A 64 6.813 -6.647 6.775 1.00 60.10 C ATOM 1035 CG LYS A 64 8.193 -7.003 7.304 1.00 10.51 C ATOM 1036 CD LYS A 64 8.110 -7.831 8.575 1.00 62.04 C ATOM 1037 CE LYS A 64 7.475 -7.050 9.714 1.00 71.45 C ATOM 1038 NZ LYS A 64 8.305 -5.887 10.127 1.00 51.50 N ATOM 0 H LYS A 64 7.892 -7.322 4.653 1.00 22.24 H new ATOM 0 HA LYS A 64 5.808 -5.592 5.195 1.00 52.53 H new ATOM 0 HB2 LYS A 64 6.250 -6.151 7.565 1.00 60.10 H new ATOM 0 HB3 LYS A 64 6.280 -7.566 6.533 1.00 60.10 H new ATOM 0 HG2 LYS A 64 8.743 -7.558 6.543 1.00 10.51 H new ATOM 0 HG3 LYS A 64 8.754 -6.090 7.500 1.00 10.51 H new ATOM 0 HD2 LYS A 64 7.529 -8.733 8.384 1.00 62.04 H new ATOM 0 HD3 LYS A 64 9.110 -8.151 8.867 1.00 62.04 H new ATOM 0 HE2 LYS A 64 6.489 -6.700 9.408 1.00 71.45 H new ATOM 0 HE3 LYS A 64 7.328 -7.711 10.568 1.00 71.45 H new ATOM 0 HZ1 LYS A 64 8.035 -5.591 11.087 1.00 51.50 H new ATOM 0 HZ2 LYS A 64 9.309 -6.157 10.118 1.00 51.50 H new ATOM 0 HZ3 LYS A 64 8.152 -5.099 9.466 1.00 51.50 H new ATOM 1052 N SER A 65 8.744 -4.276 5.841 1.00 2.34 N ATOM 1053 CA SER A 65 9.447 -3.051 6.196 1.00 34.33 C ATOM 1054 C SER A 65 8.951 -1.863 5.366 1.00 64.12 C ATOM 1055 O SER A 65 8.762 -0.763 5.886 1.00 74.34 O ATOM 1056 CB SER A 65 10.945 -3.254 5.984 1.00 24.52 C ATOM 1057 OG SER A 65 11.342 -4.533 6.449 1.00 74.41 O ATOM 0 H SER A 65 9.358 -5.038 5.553 1.00 2.34 H new ATOM 0 HA SER A 65 9.249 -2.826 7.244 1.00 34.33 H new ATOM 0 HB2 SER A 65 11.186 -3.154 4.926 1.00 24.52 H new ATOM 0 HB3 SER A 65 11.502 -2.479 6.512 1.00 24.52 H new ATOM 0 HG SER A 65 12.304 -4.649 6.305 1.00 74.41 H new ATOM 1063 N ALA A 66 8.720 -2.099 4.079 1.00 41.35 N ATOM 1064 CA ALA A 66 8.252 -1.051 3.183 1.00 61.11 C ATOM 1065 C ALA A 66 6.772 -0.761 3.409 1.00 34.44 C ATOM 1066 O ALA A 66 6.331 0.380 3.305 1.00 23.12 O ATOM 1067 CB ALA A 66 8.509 -1.437 1.731 1.00 33.20 C ATOM 0 H ALA A 66 8.850 -3.008 3.634 1.00 41.35 H new ATOM 0 HA ALA A 66 8.810 -0.141 3.403 1.00 61.11 H new ATOM 0 HB1 ALA A 66 8.153 -0.643 1.075 1.00 33.20 H new ATOM 0 HB2 ALA A 66 9.578 -1.583 1.577 1.00 33.20 H new ATOM 0 HB3 ALA A 66 7.980 -2.362 1.501 1.00 33.20 H new ATOM 1073 N ALA A 67 6.010 -1.792 3.745 1.00 52.54 N ATOM 1074 CA ALA A 67 4.576 -1.640 3.959 1.00 63.52 C ATOM 1075 C ALA A 67 4.293 -0.887 5.260 1.00 53.30 C ATOM 1076 O ALA A 67 3.286 -0.184 5.379 1.00 23.50 O ATOM 1077 CB ALA A 67 3.896 -3.002 3.970 1.00 61.33 C ATOM 0 H ALA A 67 6.359 -2.742 3.875 1.00 52.54 H new ATOM 0 HA ALA A 67 4.168 -1.053 3.136 1.00 63.52 H new ATOM 0 HB1 ALA A 67 2.826 -2.873 4.131 1.00 61.33 H new ATOM 0 HB2 ALA A 67 4.062 -3.499 3.014 1.00 61.33 H new ATOM 0 HB3 ALA A 67 4.313 -3.610 4.773 1.00 61.33 H new ATOM 1083 N GLU A 68 5.194 -1.036 6.230 1.00 53.32 N ATOM 1084 CA GLU A 68 5.063 -0.372 7.527 1.00 1.14 C ATOM 1085 C GLU A 68 5.281 1.139 7.420 1.00 43.22 C ATOM 1086 O GLU A 68 4.977 1.882 8.354 1.00 33.10 O ATOM 1087 CB GLU A 68 6.059 -0.969 8.534 1.00 14.10 C ATOM 1088 CG GLU A 68 5.796 -2.433 8.849 1.00 44.13 C ATOM 1089 CD GLU A 68 6.843 -3.058 9.751 1.00 61.54 C ATOM 1090 OE1 GLU A 68 7.958 -3.342 9.266 1.00 3.13 O ATOM 1091 OE2 GLU A 68 6.539 -3.310 10.937 1.00 15.34 O ATOM 0 H GLU A 68 6.029 -1.615 6.141 1.00 53.32 H new ATOM 0 HA GLU A 68 4.044 -0.540 7.876 1.00 1.14 H new ATOM 0 HB2 GLU A 68 7.070 -0.866 8.139 1.00 14.10 H new ATOM 0 HB3 GLU A 68 6.018 -0.393 9.459 1.00 14.10 H new ATOM 0 HG2 GLU A 68 4.819 -2.524 9.323 1.00 44.13 H new ATOM 0 HG3 GLU A 68 5.751 -2.994 7.916 1.00 44.13 H new ATOM 1099 N MET A 69 5.809 1.601 6.293 1.00 1.22 N ATOM 1100 CA MET A 69 6.077 3.025 6.131 1.00 35.52 C ATOM 1101 C MET A 69 5.089 3.676 5.164 1.00 71.15 C ATOM 1102 O MET A 69 5.218 4.855 4.835 1.00 3.11 O ATOM 1103 CB MET A 69 7.522 3.267 5.666 1.00 75.30 C ATOM 1104 CG MET A 69 7.813 2.810 4.246 1.00 5.42 C ATOM 1105 SD MET A 69 9.524 3.110 3.762 1.00 43.35 S ATOM 1106 CE MET A 69 10.392 2.074 4.938 1.00 65.31 C ATOM 0 H MET A 69 6.057 1.022 5.490 1.00 1.22 H new ATOM 0 HA MET A 69 5.947 3.491 7.108 1.00 35.52 H new ATOM 0 HB2 MET A 69 7.741 4.332 5.743 1.00 75.30 H new ATOM 0 HB3 MET A 69 8.200 2.751 6.346 1.00 75.30 H new ATOM 0 HG2 MET A 69 7.595 1.746 4.158 1.00 5.42 H new ATOM 0 HG3 MET A 69 7.147 3.329 3.557 1.00 5.42 H new ATOM 0 HE1 MET A 69 10.935 2.702 5.645 1.00 65.31 H new ATOM 0 HE2 MET A 69 9.674 1.457 5.478 1.00 65.31 H new ATOM 0 HE3 MET A 69 11.096 1.433 4.408 1.00 65.31 H new ATOM 1116 N ILE A 70 4.088 2.924 4.729 1.00 51.10 N ATOM 1117 CA ILE A 70 3.090 3.460 3.811 1.00 13.30 C ATOM 1118 C ILE A 70 1.842 3.901 4.573 1.00 50.45 C ATOM 1119 O ILE A 70 1.188 3.091 5.225 1.00 24.35 O ATOM 1120 CB ILE A 70 2.690 2.433 2.725 1.00 10.33 C ATOM 1121 CG1 ILE A 70 3.924 1.946 1.959 1.00 61.42 C ATOM 1122 CG2 ILE A 70 1.680 3.044 1.761 1.00 30.10 C ATOM 1123 CD1 ILE A 70 4.700 3.047 1.285 1.00 34.55 C ATOM 0 H ILE A 70 3.945 1.949 4.993 1.00 51.10 H new ATOM 0 HA ILE A 70 3.543 4.320 3.317 1.00 13.30 H new ATOM 0 HB ILE A 70 2.230 1.577 3.219 1.00 10.33 H new ATOM 0 HG12 ILE A 70 4.584 1.421 2.649 1.00 61.42 H new ATOM 0 HG13 ILE A 70 3.610 1.223 1.206 1.00 61.42 H new ATOM 0 HG21 ILE A 70 1.409 2.309 1.003 1.00 30.10 H new ATOM 0 HG22 ILE A 70 0.788 3.344 2.311 1.00 30.10 H new ATOM 0 HG23 ILE A 70 2.120 3.917 1.278 1.00 30.10 H new ATOM 0 HD11 ILE A 70 5.558 2.621 0.764 1.00 34.55 H new ATOM 0 HD12 ILE A 70 4.058 3.559 0.568 1.00 34.55 H new ATOM 0 HD13 ILE A 70 5.047 3.759 2.034 1.00 34.55 H new ATOM 1135 N GLU A 71 1.535 5.190 4.497 1.00 1.25 N ATOM 1136 CA GLU A 71 0.334 5.738 5.110 1.00 52.31 C ATOM 1137 C GLU A 71 -0.786 5.742 4.075 1.00 64.02 C ATOM 1138 O GLU A 71 -0.654 6.367 3.017 1.00 75.14 O ATOM 1139 CB GLU A 71 0.603 7.165 5.597 1.00 13.25 C ATOM 1140 CG GLU A 71 -0.513 7.768 6.434 1.00 33.32 C ATOM 1141 CD GLU A 71 -0.492 7.280 7.866 1.00 44.12 C ATOM 1142 OE1 GLU A 71 -1.439 6.582 8.280 1.00 65.22 O ATOM 1143 OE2 GLU A 71 0.480 7.595 8.583 1.00 20.31 O ATOM 0 H GLU A 71 2.108 5.880 4.012 1.00 1.25 H new ATOM 0 HA GLU A 71 0.043 5.128 5.965 1.00 52.31 H new ATOM 0 HB2 GLU A 71 1.522 7.168 6.184 1.00 13.25 H new ATOM 0 HB3 GLU A 71 0.776 7.804 4.731 1.00 13.25 H new ATOM 0 HG2 GLU A 71 -0.425 8.854 6.422 1.00 33.32 H new ATOM 0 HG3 GLU A 71 -1.474 7.521 5.984 1.00 33.32 H new ATOM 1151 N VAL A 72 -1.872 5.043 4.359 1.00 55.51 N ATOM 1152 CA VAL A 72 -2.954 4.917 3.397 1.00 70.54 C ATOM 1153 C VAL A 72 -4.291 5.324 3.997 1.00 32.52 C ATOM 1154 O VAL A 72 -4.445 5.410 5.215 1.00 41.45 O ATOM 1155 CB VAL A 72 -3.064 3.481 2.838 1.00 45.04 C ATOM 1156 CG1 VAL A 72 -1.849 3.144 1.988 1.00 44.51 C ATOM 1157 CG2 VAL A 72 -3.220 2.475 3.968 1.00 52.41 C ATOM 0 H VAL A 72 -2.028 4.557 5.242 1.00 55.51 H new ATOM 0 HA VAL A 72 -2.712 5.595 2.579 1.00 70.54 H new ATOM 0 HB VAL A 72 -3.951 3.427 2.207 1.00 45.04 H new ATOM 0 HG11 VAL A 72 -1.945 2.129 1.603 1.00 44.51 H new ATOM 0 HG12 VAL A 72 -1.783 3.843 1.155 1.00 44.51 H new ATOM 0 HG13 VAL A 72 -0.948 3.218 2.596 1.00 44.51 H new ATOM 0 HG21 VAL A 72 -3.296 1.470 3.553 1.00 52.41 H new ATOM 0 HG22 VAL A 72 -2.354 2.531 4.627 1.00 52.41 H new ATOM 0 HG23 VAL A 72 -4.123 2.702 4.535 1.00 52.41 H new ATOM 1167 N GLU A 73 -5.250 5.587 3.127 1.00 31.23 N ATOM 1168 CA GLU A 73 -6.599 5.935 3.542 1.00 15.12 C ATOM 1169 C GLU A 73 -7.603 5.011 2.869 1.00 51.42 C ATOM 1170 O GLU A 73 -7.352 4.507 1.775 1.00 31.42 O ATOM 1171 CB GLU A 73 -6.933 7.385 3.170 1.00 54.13 C ATOM 1172 CG GLU A 73 -6.985 7.631 1.666 1.00 12.43 C ATOM 1173 CD GLU A 73 -7.830 8.832 1.294 1.00 34.11 C ATOM 1174 OE1 GLU A 73 -9.069 8.754 1.434 1.00 42.12 O ATOM 1175 OE2 GLU A 73 -7.271 9.848 0.840 1.00 42.25 O ATOM 0 H GLU A 73 -5.117 5.566 2.116 1.00 31.23 H new ATOM 0 HA GLU A 73 -6.655 5.825 4.625 1.00 15.12 H new ATOM 0 HB2 GLU A 73 -7.895 7.651 3.607 1.00 54.13 H new ATOM 0 HB3 GLU A 73 -6.188 8.046 3.613 1.00 54.13 H new ATOM 0 HG2 GLU A 73 -5.972 7.776 1.291 1.00 12.43 H new ATOM 0 HG3 GLU A 73 -7.384 6.745 1.172 1.00 12.43 H new ATOM 1183 N LEU A 74 -8.729 4.783 3.522 1.00 33.05 N ATOM 1184 CA LEU A 74 -9.829 4.069 2.902 1.00 12.21 C ATOM 1185 C LEU A 74 -10.699 5.056 2.145 1.00 44.21 C ATOM 1186 O LEU A 74 -11.182 6.029 2.726 1.00 24.33 O ATOM 1187 CB LEU A 74 -10.676 3.339 3.954 1.00 0.31 C ATOM 1188 CG LEU A 74 -10.178 1.956 4.393 1.00 24.31 C ATOM 1189 CD1 LEU A 74 -10.099 1.013 3.203 1.00 75.53 C ATOM 1190 CD2 LEU A 74 -8.828 2.057 5.086 1.00 54.10 C ATOM 0 H LEU A 74 -8.905 5.082 4.481 1.00 33.05 H new ATOM 0 HA LEU A 74 -9.420 3.326 2.218 1.00 12.21 H new ATOM 0 HB2 LEU A 74 -10.744 3.974 4.838 1.00 0.31 H new ATOM 0 HB3 LEU A 74 -11.687 3.229 3.562 1.00 0.31 H new ATOM 0 HG LEU A 74 -10.895 1.551 5.107 1.00 24.31 H new ATOM 0 HD11 LEU A 74 -9.744 0.037 3.535 1.00 75.53 H new ATOM 0 HD12 LEU A 74 -11.088 0.907 2.757 1.00 75.53 H new ATOM 0 HD13 LEU A 74 -9.409 1.418 2.463 1.00 75.53 H new ATOM 0 HD21 LEU A 74 -8.498 1.063 5.387 1.00 54.10 H new ATOM 0 HD22 LEU A 74 -8.099 2.489 4.401 1.00 54.10 H new ATOM 0 HD23 LEU A 74 -8.918 2.692 5.968 1.00 54.10 H new ATOM 1202 N GLU A 75 -10.891 4.825 0.849 1.00 43.43 N ATOM 1203 CA GLU A 75 -11.757 5.691 0.057 1.00 63.43 C ATOM 1204 C GLU A 75 -13.178 5.627 0.609 1.00 44.43 C ATOM 1205 O GLU A 75 -13.970 6.560 0.462 1.00 40.53 O ATOM 1206 CB GLU A 75 -11.722 5.301 -1.423 1.00 63.11 C ATOM 1207 CG GLU A 75 -12.432 6.302 -2.320 1.00 24.20 C ATOM 1208 CD GLU A 75 -12.163 6.073 -3.790 1.00 4.43 C ATOM 1209 OE1 GLU A 75 -11.174 6.635 -4.312 1.00 63.51 O ATOM 1210 OE2 GLU A 75 -12.944 5.345 -4.432 1.00 20.13 O ATOM 0 H GLU A 75 -10.465 4.056 0.331 1.00 43.43 H new ATOM 0 HA GLU A 75 -11.395 6.717 0.128 1.00 63.43 H new ATOM 0 HB2 GLU A 75 -10.684 5.207 -1.743 1.00 63.11 H new ATOM 0 HB3 GLU A 75 -12.183 4.321 -1.545 1.00 63.11 H new ATOM 0 HG2 GLU A 75 -13.505 6.245 -2.140 1.00 24.20 H new ATOM 0 HG3 GLU A 75 -12.116 7.310 -2.051 1.00 24.20 H new ATOM 1218 N HIS A 76 -13.485 4.514 1.258 1.00 31.20 N ATOM 1219 CA HIS A 76 -14.690 4.391 2.060 1.00 73.33 C ATOM 1220 C HIS A 76 -14.288 4.095 3.497 1.00 13.02 C ATOM 1221 O HIS A 76 -14.115 2.934 3.867 1.00 15.05 O ATOM 1222 CB HIS A 76 -15.604 3.276 1.543 1.00 64.41 C ATOM 1223 CG HIS A 76 -16.209 3.541 0.200 1.00 14.41 C ATOM 1224 ND1 HIS A 76 -17.505 3.979 0.037 1.00 61.43 N ATOM 1225 CD2 HIS A 76 -15.698 3.415 -1.049 1.00 71.44 C ATOM 1226 CE1 HIS A 76 -17.765 4.109 -1.249 1.00 44.03 C ATOM 1227 NE2 HIS A 76 -16.685 3.775 -1.928 1.00 3.24 N ATOM 0 H HIS A 76 -12.907 3.674 1.243 1.00 31.20 H new ATOM 0 HA HIS A 76 -15.245 5.327 1.999 1.00 73.33 H new ATOM 0 HB2 HIS A 76 -15.033 2.349 1.493 1.00 64.41 H new ATOM 0 HB3 HIS A 76 -16.406 3.118 2.264 1.00 64.41 H new ATOM 0 HD2 HIS A 76 -14.700 3.091 -1.304 1.00 71.44 H new ATOM 0 HE1 HIS A 76 -18.703 4.434 -1.674 1.00 44.03 H new ATOM 0 HE2 HIS A 76 -16.598 3.783 -2.944 1.00 3.24 H new ATOM 1236 N HIS A 77 -14.085 5.144 4.289 1.00 32.21 N ATOM 1237 CA HIS A 77 -13.607 4.969 5.657 1.00 73.24 C ATOM 1238 C HIS A 77 -14.619 4.184 6.480 1.00 72.10 C ATOM 1239 O HIS A 77 -15.831 4.387 6.356 1.00 22.20 O ATOM 1240 CB HIS A 77 -13.266 6.317 6.326 1.00 41.10 C ATOM 1241 CG HIS A 77 -14.441 7.191 6.654 1.00 23.30 C ATOM 1242 ND1 HIS A 77 -14.902 7.378 7.939 1.00 64.44 N ATOM 1243 CD2 HIS A 77 -15.219 7.965 5.864 1.00 71.23 C ATOM 1244 CE1 HIS A 77 -15.911 8.226 7.923 1.00 21.42 C ATOM 1245 NE2 HIS A 77 -16.124 8.602 6.676 1.00 34.31 N ATOM 0 H HIS A 77 -14.242 6.113 4.012 1.00 32.21 H new ATOM 0 HA HIS A 77 -12.681 4.395 5.613 1.00 73.24 H new ATOM 0 HB2 HIS A 77 -12.716 6.117 7.246 1.00 41.10 H new ATOM 0 HB3 HIS A 77 -12.596 6.870 5.668 1.00 41.10 H new ATOM 0 HD2 HIS A 77 -15.142 8.064 4.791 1.00 71.23 H new ATOM 0 HE1 HIS A 77 -16.470 8.558 8.786 1.00 21.42 H new ATOM 0 HE2 HIS A 77 -16.842 9.257 6.367 1.00 34.31 H new ATOM 1254 N HIS A 78 -14.106 3.277 7.297 1.00 60.10 N ATOM 1255 CA HIS A 78 -14.942 2.372 8.070 1.00 63.42 C ATOM 1256 C HIS A 78 -15.672 3.108 9.183 1.00 72.22 C ATOM 1257 O HIS A 78 -15.077 3.483 10.195 1.00 24.44 O ATOM 1258 CB HIS A 78 -14.104 1.226 8.644 1.00 51.53 C ATOM 1259 CG HIS A 78 -13.755 0.172 7.632 1.00 14.50 C ATOM 1260 ND1 HIS A 78 -13.971 -1.175 7.840 1.00 10.42 N ATOM 1261 CD2 HIS A 78 -13.206 0.270 6.395 1.00 52.11 C ATOM 1262 CE1 HIS A 78 -13.571 -1.855 6.782 1.00 71.33 C ATOM 1263 NE2 HIS A 78 -13.103 -1.003 5.888 1.00 13.02 N ATOM 0 H HIS A 78 -13.105 3.148 7.442 1.00 60.10 H new ATOM 0 HA HIS A 78 -15.692 1.954 7.398 1.00 63.42 H new ATOM 0 HB2 HIS A 78 -13.184 1.634 9.064 1.00 51.53 H new ATOM 0 HB3 HIS A 78 -14.651 0.763 9.465 1.00 51.53 H new ATOM 0 HD2 HIS A 78 -12.905 1.181 5.900 1.00 52.11 H new ATOM 0 HE1 HIS A 78 -13.618 -2.928 6.667 1.00 71.33 H new ATOM 0 HE2 HIS A 78 -12.727 -1.249 4.972 1.00 13.02 H new ATOM 1272 N HIS A 79 -16.961 3.330 8.967 1.00 31.14 N ATOM 1273 CA HIS A 79 -17.814 3.976 9.950 1.00 1.32 C ATOM 1274 C HIS A 79 -18.174 2.985 11.052 1.00 42.23 C ATOM 1275 O HIS A 79 -19.142 2.230 10.935 1.00 31.03 O ATOM 1276 CB HIS A 79 -19.082 4.519 9.267 1.00 23.33 C ATOM 1277 CG HIS A 79 -20.045 5.215 10.191 1.00 45.55 C ATOM 1278 ND1 HIS A 79 -20.030 6.574 10.401 1.00 24.44 N ATOM 1279 CD2 HIS A 79 -21.063 4.735 10.948 1.00 72.21 C ATOM 1280 CE1 HIS A 79 -20.987 6.901 11.247 1.00 15.22 C ATOM 1281 NE2 HIS A 79 -21.632 5.806 11.595 1.00 51.04 N ATOM 0 H HIS A 79 -17.442 3.067 8.107 1.00 31.14 H new ATOM 0 HA HIS A 79 -17.280 4.813 10.399 1.00 1.32 H new ATOM 0 HB2 HIS A 79 -18.786 5.215 8.482 1.00 23.33 H new ATOM 0 HB3 HIS A 79 -19.599 3.692 8.781 1.00 23.33 H new ATOM 0 HD1 HIS A 79 -19.378 7.229 9.969 1.00 24.44 H new ATOM 0 HD2 HIS A 79 -21.370 3.703 11.028 1.00 72.21 H new ATOM 0 HE1 HIS A 79 -21.206 7.899 11.596 1.00 15.22 H new ATOM 1290 N HIS A 80 -17.378 2.961 12.107 1.00 44.33 N ATOM 1291 CA HIS A 80 -17.634 2.060 13.217 1.00 75.30 C ATOM 1292 C HIS A 80 -18.661 2.671 14.159 1.00 30.31 C ATOM 1293 O HIS A 80 -18.309 3.354 15.120 1.00 11.11 O ATOM 1294 CB HIS A 80 -16.336 1.734 13.965 1.00 45.35 C ATOM 1295 CG HIS A 80 -16.509 0.755 15.086 1.00 43.21 C ATOM 1296 ND1 HIS A 80 -16.889 -0.553 14.889 1.00 2.11 N ATOM 1297 CD2 HIS A 80 -16.361 0.904 16.424 1.00 65.30 C ATOM 1298 CE1 HIS A 80 -16.968 -1.167 16.054 1.00 32.23 C ATOM 1299 NE2 HIS A 80 -16.652 -0.306 17.002 1.00 44.21 N ATOM 0 H HIS A 80 -16.554 3.551 12.218 1.00 44.33 H new ATOM 0 HA HIS A 80 -18.035 1.127 12.822 1.00 75.30 H new ATOM 0 HB2 HIS A 80 -15.611 1.335 13.256 1.00 45.35 H new ATOM 0 HB3 HIS A 80 -15.917 2.658 14.364 1.00 45.35 H new ATOM 0 HD2 HIS A 80 -16.069 1.807 16.940 1.00 65.30 H new ATOM 0 HE1 HIS A 80 -17.245 -2.200 16.206 1.00 32.23 H new ATOM 0 HE2 HIS A 80 -16.628 -0.507 18.002 1.00 44.21 H new ATOM 1308 N HIS A 81 -19.928 2.455 13.842 1.00 4.44 N ATOM 1309 CA HIS A 81 -21.032 2.945 14.654 1.00 43.41 C ATOM 1310 C HIS A 81 -22.347 2.461 14.057 1.00 73.13 C ATOM 1311 O HIS A 81 -22.972 3.224 13.293 1.00 38.01 O ATOM 1312 CB HIS A 81 -21.021 4.479 14.730 1.00 12.44 C ATOM 1313 CG HIS A 81 -21.898 5.033 15.810 1.00 1.32 C ATOM 1314 ND1 HIS A 81 -21.412 5.794 16.848 1.00 64.31 N ATOM 1315 CD2 HIS A 81 -23.235 4.950 16.004 1.00 54.55 C ATOM 1316 CE1 HIS A 81 -22.409 6.149 17.635 1.00 45.42 C ATOM 1317 NE2 HIS A 81 -23.528 5.651 17.144 1.00 4.12 N ATOM 1318 OXT HIS A 81 -22.738 1.313 14.335 1.00 38.01 O ATOM 0 H HIS A 81 -20.221 1.935 13.015 1.00 4.44 H new ATOM 0 HA HIS A 81 -20.922 2.558 15.667 1.00 43.41 H new ATOM 0 HB2 HIS A 81 -19.998 4.819 14.894 1.00 12.44 H new ATOM 0 HB3 HIS A 81 -21.341 4.884 13.770 1.00 12.44 H new ATOM 0 HD2 HIS A 81 -23.941 4.427 15.376 1.00 54.55 H new ATOM 0 HE1 HIS A 81 -22.324 6.747 18.531 1.00 45.42 H new ATOM 0 HE2 HIS A 81 -24.458 5.769 17.547 1.00 4.12 H new TER 1327 HIS A 81