USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 753 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 45 ASN :FLIP amide:sc= 0.0273 F(o=-3.7,f=-3.1) USER MOD Set 1.2: A 93 LYS NZ :NH3+ -151:sc= -3.15! (180deg=-4.99!) USER MOD Set 2.1: A 86 ASN : amide:sc= -2.4 X(o=-5,f=-5.1!) USER MOD Set 2.2: A 88 ASN : amide:sc= -2.62 K(o=-5,f=-6.3!) USER MOD Set 3.1: A 81 GLN : amide:sc= -0.21 X(o=-0.22,f=0.082) USER MOD Set 3.2: A 85 LYS NZ :NH3+ 143:sc=-0.00519 (180deg=0) USER MOD Set 4.1: A 78 THR OG1 : rot 180:sc= 0.411 USER MOD Set 4.2: A 82 LYS NZ :NH3+ -149:sc= 0.448 (180deg=0) USER MOD Set 5.1: A 16 TYR OH : rot 180:sc= 0.0831 USER MOD Set 5.2: A 28 SER OG : rot 117:sc= 1.41 USER MOD Single : A 1 MET CE :methyl -138:sc= -8.55! (180deg=-13.6!) USER MOD Single : A 1 MET N :NH3+ -154:sc= 2.02 (180deg=0.869) USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= -0.809 (180deg=-0.911) USER MOD Single : A 5 SER OG : rot 114:sc= -2.02 USER MOD Single : A 6 GLN : amide:sc= -0.185 X(o=-0.19,f=-0.043) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.71 K(o=-1.7,f=-3.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 140:sc= -1.28 (180deg=-3.57!) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.198! C(o=-1.9!,f=-0.2!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 34 CYS SG : rot 83:sc= -2.22! USER MOD Single : A 37 LYS NZ :NH3+ 155:sc= -0.418 (180deg=-2.34!) USER MOD Single : A 39 THR OG1 : rot 69:sc= 1.02 USER MOD Single : A 41 SER OG : rot 90:sc= 0.108 USER MOD Single : A 42 ASN : amide:sc= -0.0442 X(o=-0.044,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -3.24! USER MOD Single : A 52 SER OG : rot 68:sc= -6.56! USER MOD Single : A 55 SER OG : rot 63:sc= 1.17 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0529 USER MOD Single : A 72 SER OG : rot -98:sc= -1.28 USER MOD Single : A 73 MET CE :methyl -120:sc= -5.57! (180deg=-9.03!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.32) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 96 LYS NZ :NH3+ -165:sc= -0.0258 (180deg=-0.231) USER MOD Single : A 97 TYR OH : rot 30:sc= -5.1! USER MOD Single : A 101 LYS NZ :NH3+ -156:sc= 0.11 (180deg=-0.0574) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.779 4.849 13.532 1.00 0.00 N ATOM 2 CA MET A 1 4.571 5.278 12.120 1.00 0.00 C ATOM 3 C MET A 1 4.128 6.729 12.034 1.00 0.00 C ATOM 4 O MET A 1 3.338 7.200 12.853 1.00 0.00 O ATOM 5 CB MET A 1 3.524 4.376 11.463 1.00 0.00 C ATOM 6 CG MET A 1 2.111 4.715 11.846 1.00 0.00 C ATOM 7 SD MET A 1 1.811 4.538 13.614 1.00 0.00 S ATOM 8 CE MET A 1 0.569 3.256 13.607 1.00 0.00 C ATOM 0 H1 MET A 1 5.466 4.069 13.560 1.00 0.00 H new ATOM 0 H2 MET A 1 5.141 5.650 14.088 1.00 0.00 H new ATOM 0 H3 MET A 1 3.875 4.529 13.934 1.00 0.00 H new ATOM 0 HA MET A 1 5.522 5.190 11.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.625 4.446 10.380 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.727 3.340 11.735 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.893 5.740 11.545 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.425 4.069 11.298 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.208 3.498 14.332 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.127 3.183 12.613 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.028 2.303 13.871 1.00 0.00 H new ATOM 20 N ASP A 2 4.617 7.425 11.017 1.00 0.00 N ATOM 21 CA ASP A 2 4.248 8.808 10.802 1.00 0.00 C ATOM 22 C ASP A 2 2.752 8.891 10.569 1.00 0.00 C ATOM 23 O ASP A 2 2.044 7.902 10.732 1.00 0.00 O ATOM 24 CB ASP A 2 5.005 9.389 9.609 1.00 0.00 C ATOM 25 CG ASP A 2 6.194 10.230 10.032 1.00 0.00 C ATOM 26 OD1 ASP A 2 6.910 9.816 10.969 1.00 0.00 O ATOM 27 OD2 ASP A 2 6.407 11.302 9.429 1.00 0.00 O ATOM 0 H ASP A 2 5.271 7.050 10.330 1.00 0.00 H new ATOM 0 HA ASP A 2 4.513 9.392 11.684 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.348 8.576 8.969 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.326 9.999 9.013 1.00 0.00 H new ATOM 32 N ILE A 3 2.273 10.066 10.206 1.00 0.00 N ATOM 33 CA ILE A 3 0.854 10.260 9.976 1.00 0.00 C ATOM 34 C ILE A 3 0.393 9.681 8.647 1.00 0.00 C ATOM 35 O ILE A 3 -0.547 8.887 8.602 1.00 0.00 O ATOM 36 CB ILE A 3 0.490 11.751 10.060 1.00 0.00 C ATOM 37 CG1 ILE A 3 0.305 12.179 11.524 1.00 0.00 C ATOM 38 CG2 ILE A 3 -0.766 12.043 9.256 1.00 0.00 C ATOM 39 CD1 ILE A 3 0.993 11.272 12.530 1.00 0.00 C ATOM 0 H ILE A 3 2.844 10.899 10.064 1.00 0.00 H new ATOM 0 HA ILE A 3 0.331 9.717 10.763 1.00 0.00 H new ATOM 0 HB ILE A 3 1.311 12.328 9.633 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.687 13.193 11.645 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.761 12.210 11.750 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.006 13.104 9.329 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.599 11.780 8.212 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.595 11.455 9.650 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.813 11.644 13.538 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.595 10.261 12.440 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.065 11.259 12.334 1.00 0.00 H new ATOM 51 N LYS A 4 1.038 10.088 7.569 1.00 0.00 N ATOM 52 CA LYS A 4 0.654 9.601 6.245 1.00 0.00 C ATOM 53 C LYS A 4 0.624 8.077 6.224 1.00 0.00 C ATOM 54 O LYS A 4 -0.230 7.469 5.577 1.00 0.00 O ATOM 55 CB LYS A 4 1.567 10.134 5.131 1.00 0.00 C ATOM 56 CG LYS A 4 2.975 10.482 5.570 1.00 0.00 C ATOM 57 CD LYS A 4 3.631 9.332 6.293 1.00 0.00 C ATOM 58 CE LYS A 4 5.061 9.652 6.641 1.00 0.00 C ATOM 59 NZ LYS A 4 5.834 10.122 5.459 1.00 0.00 N ATOM 0 H LYS A 4 1.819 10.744 7.576 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.347 9.983 6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.623 9.387 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.107 11.023 4.699 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.572 10.753 4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.948 11.355 6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.074 9.106 7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.597 8.439 5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.082 10.419 7.415 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.539 8.765 7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.844 10.168 5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.697 9.460 4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.501 11.067 5.180 1.00 0.00 H new ATOM 73 N SER A 5 1.548 7.470 6.955 1.00 0.00 N ATOM 74 CA SER A 5 1.628 6.026 7.054 1.00 0.00 C ATOM 75 C SER A 5 0.706 5.513 8.150 1.00 0.00 C ATOM 76 O SER A 5 0.293 4.361 8.134 1.00 0.00 O ATOM 77 CB SER A 5 3.068 5.593 7.336 1.00 0.00 C ATOM 78 OG SER A 5 3.190 4.182 7.318 1.00 0.00 O ATOM 0 H SER A 5 2.259 7.965 7.493 1.00 0.00 H new ATOM 0 HA SER A 5 1.310 5.599 6.103 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.734 6.028 6.591 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.382 5.976 8.307 1.00 0.00 H new ATOM 0 HG SER A 5 3.748 3.912 6.559 1.00 0.00 H new ATOM 84 N GLN A 6 0.416 6.376 9.122 1.00 0.00 N ATOM 85 CA GLN A 6 -0.425 6.014 10.258 1.00 0.00 C ATOM 86 C GLN A 6 -1.822 5.610 9.867 1.00 0.00 C ATOM 87 O GLN A 6 -2.325 4.596 10.333 1.00 0.00 O ATOM 88 CB GLN A 6 -0.509 7.175 11.236 1.00 0.00 C ATOM 89 CG GLN A 6 -0.055 6.811 12.624 1.00 0.00 C ATOM 90 CD GLN A 6 -0.643 7.719 13.680 1.00 0.00 C ATOM 91 OE1 GLN A 6 0.080 8.338 14.462 1.00 0.00 O ATOM 92 NE2 GLN A 6 -1.967 7.801 13.707 1.00 0.00 N ATOM 0 H GLN A 6 0.755 7.338 9.144 1.00 0.00 H new ATOM 0 HA GLN A 6 0.049 5.147 10.718 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.100 7.999 10.865 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -1.538 7.533 11.279 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.338 5.780 12.837 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.033 6.860 12.672 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.525 7.269 13.039 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.427 8.396 14.396 1.00 0.00 H new ATOM 101 N THR A 7 -2.463 6.409 9.051 1.00 0.00 N ATOM 102 CA THR A 7 -3.815 6.099 8.659 1.00 0.00 C ATOM 103 C THR A 7 -3.819 5.032 7.596 1.00 0.00 C ATOM 104 O THR A 7 -4.708 4.186 7.568 1.00 0.00 O ATOM 105 CB THR A 7 -4.577 7.335 8.217 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.722 8.463 8.136 1.00 0.00 O ATOM 107 CG2 THR A 7 -5.690 7.654 9.178 1.00 0.00 C ATOM 0 H THR A 7 -2.079 7.265 8.651 1.00 0.00 H new ATOM 0 HA THR A 7 -4.338 5.712 9.534 1.00 0.00 H new ATOM 0 HB THR A 7 -4.989 7.117 7.232 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.238 9.245 7.848 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.220 8.544 8.838 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.383 6.814 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.274 7.836 10.169 1.00 0.00 H new ATOM 115 N LEU A 8 -2.794 5.031 6.759 1.00 0.00 N ATOM 116 CA LEU A 8 -2.688 4.004 5.753 1.00 0.00 C ATOM 117 C LEU A 8 -2.354 2.705 6.466 1.00 0.00 C ATOM 118 O LEU A 8 -2.847 1.636 6.106 1.00 0.00 O ATOM 119 CB LEU A 8 -1.638 4.366 4.690 1.00 0.00 C ATOM 120 CG LEU A 8 -0.281 3.668 4.821 1.00 0.00 C ATOM 121 CD1 LEU A 8 -0.359 2.244 4.294 1.00 0.00 C ATOM 122 CD2 LEU A 8 0.791 4.449 4.079 1.00 0.00 C ATOM 0 H LEU A 8 -2.040 5.718 6.760 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.629 3.899 5.213 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.050 4.135 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.475 5.443 4.721 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.015 3.630 5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.615 1.765 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.100 1.685 4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.647 2.260 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.749 3.940 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.527 4.516 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.866 5.452 4.499 1.00 0.00 H new ATOM 134 N TYR A 9 -1.556 2.825 7.529 1.00 0.00 N ATOM 135 CA TYR A 9 -1.204 1.686 8.346 1.00 0.00 C ATOM 136 C TYR A 9 -2.430 1.262 9.130 1.00 0.00 C ATOM 137 O TYR A 9 -2.953 0.167 8.948 1.00 0.00 O ATOM 138 CB TYR A 9 -0.063 2.042 9.279 1.00 0.00 C ATOM 139 CG TYR A 9 0.177 1.049 10.385 1.00 0.00 C ATOM 140 CD1 TYR A 9 -0.444 -0.200 10.421 1.00 0.00 C ATOM 141 CD2 TYR A 9 1.022 1.386 11.413 1.00 0.00 C ATOM 142 CE1 TYR A 9 -0.209 -1.071 11.467 1.00 0.00 C ATOM 143 CE2 TYR A 9 1.261 0.534 12.454 1.00 0.00 C ATOM 144 CZ TYR A 9 0.644 -0.698 12.485 1.00 0.00 C ATOM 145 OH TYR A 9 0.882 -1.559 13.532 1.00 0.00 O ATOM 0 H TYR A 9 -1.146 3.707 7.836 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.871 0.861 7.716 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.851 2.141 8.693 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -0.264 3.017 9.722 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.114 -0.488 9.624 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.510 2.349 11.399 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.690 -2.038 11.488 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.931 0.825 13.250 1.00 0.00 H new ATOM 0 HH TYR A 9 1.507 -1.143 14.162 1.00 0.00 H new ATOM 155 N LEU A 10 -2.897 2.153 9.988 1.00 0.00 N ATOM 156 CA LEU A 10 -4.081 1.883 10.783 1.00 0.00 C ATOM 157 C LEU A 10 -5.188 1.385 9.875 1.00 0.00 C ATOM 158 O LEU A 10 -6.004 0.556 10.272 1.00 0.00 O ATOM 159 CB LEU A 10 -4.534 3.140 11.526 1.00 0.00 C ATOM 160 CG LEU A 10 -3.834 3.384 12.862 1.00 0.00 C ATOM 161 CD1 LEU A 10 -4.321 4.680 13.491 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.068 2.210 13.800 1.00 0.00 C ATOM 0 H LEU A 10 -2.475 3.067 10.151 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.844 1.120 11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.369 4.004 10.883 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.608 3.074 11.702 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.763 3.475 12.683 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.811 4.837 14.442 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.105 5.513 12.822 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.396 4.620 13.661 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.564 2.396 14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.137 2.091 13.974 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.670 1.300 13.350 1.00 0.00 H new ATOM 174 N ASN A 11 -5.179 1.863 8.633 1.00 0.00 N ATOM 175 CA ASN A 11 -6.160 1.425 7.660 1.00 0.00 C ATOM 176 C ASN A 11 -5.997 -0.074 7.445 1.00 0.00 C ATOM 177 O ASN A 11 -6.973 -0.808 7.293 1.00 0.00 O ATOM 178 CB ASN A 11 -5.991 2.166 6.331 1.00 0.00 C ATOM 179 CG ASN A 11 -6.917 3.362 6.212 1.00 0.00 C ATOM 180 OD1 ASN A 11 -7.992 3.391 6.810 1.00 0.00 O ATOM 181 ND2 ASN A 11 -6.502 4.356 5.436 1.00 0.00 N ATOM 0 H ASN A 11 -4.507 2.547 8.285 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.158 1.646 8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.958 2.499 6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.183 1.478 5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.082 5.186 5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.603 4.289 4.959 1.00 0.00 H new ATOM 188 N LEU A 12 -4.737 -0.519 7.457 1.00 0.00 N ATOM 189 CA LEU A 12 -4.416 -1.930 7.291 1.00 0.00 C ATOM 190 C LEU A 12 -5.094 -2.748 8.377 1.00 0.00 C ATOM 191 O LEU A 12 -5.792 -3.721 8.091 1.00 0.00 O ATOM 192 CB LEU A 12 -2.905 -2.153 7.316 1.00 0.00 C ATOM 193 CG LEU A 12 -2.142 -1.450 6.194 1.00 0.00 C ATOM 194 CD1 LEU A 12 -0.656 -1.749 6.292 1.00 0.00 C ATOM 195 CD2 LEU A 12 -2.681 -1.861 4.832 1.00 0.00 C ATOM 0 H LEU A 12 -3.924 0.084 7.581 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.787 -2.257 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.516 -1.809 8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.707 -3.223 7.257 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.287 -0.375 6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.129 -1.240 5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.277 -1.398 7.252 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.495 -2.824 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.122 -1.348 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.573 -2.938 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.735 -1.592 4.761 1.00 0.00 H new ATOM 207 N SER A 13 -4.915 -2.325 9.624 1.00 0.00 N ATOM 208 CA SER A 13 -5.545 -3.000 10.747 1.00 0.00 C ATOM 209 C SER A 13 -7.051 -2.938 10.569 1.00 0.00 C ATOM 210 O SER A 13 -7.760 -3.951 10.649 1.00 0.00 O ATOM 211 CB SER A 13 -5.140 -2.338 12.064 1.00 0.00 C ATOM 212 OG SER A 13 -5.720 -3.004 13.172 1.00 0.00 O ATOM 0 H SER A 13 -4.341 -1.521 9.879 1.00 0.00 H new ATOM 0 HA SER A 13 -5.219 -4.040 10.778 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.054 -2.346 12.159 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.452 -1.294 12.060 1.00 0.00 H new ATOM 0 HG SER A 13 -5.443 -2.561 14.001 1.00 0.00 H new ATOM 218 N GLU A 14 -7.524 -1.737 10.282 1.00 0.00 N ATOM 219 CA GLU A 14 -8.935 -1.520 10.044 1.00 0.00 C ATOM 220 C GLU A 14 -9.413 -2.430 8.929 1.00 0.00 C ATOM 221 O GLU A 14 -10.573 -2.842 8.900 1.00 0.00 O ATOM 222 CB GLU A 14 -9.217 -0.072 9.669 1.00 0.00 C ATOM 223 CG GLU A 14 -8.586 0.940 10.609 1.00 0.00 C ATOM 224 CD GLU A 14 -9.617 1.776 11.344 1.00 0.00 C ATOM 225 OE1 GLU A 14 -10.137 1.304 12.377 1.00 0.00 O ATOM 226 OE2 GLU A 14 -9.903 2.902 10.885 1.00 0.00 O ATOM 0 H GLU A 14 -6.948 -0.898 10.209 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.470 -1.747 10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.852 0.109 8.658 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.295 0.085 9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.963 0.417 11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.929 1.598 10.040 1.00 0.00 H new ATOM 233 N ALA A 15 -8.498 -2.770 8.026 1.00 0.00 N ATOM 234 CA ALA A 15 -8.821 -3.659 6.938 1.00 0.00 C ATOM 235 C ALA A 15 -8.855 -5.072 7.455 1.00 0.00 C ATOM 236 O ALA A 15 -9.583 -5.917 6.946 1.00 0.00 O ATOM 237 CB ALA A 15 -7.849 -3.523 5.790 1.00 0.00 C ATOM 0 H ALA A 15 -7.533 -2.440 8.034 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.802 -3.390 6.546 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.130 -4.211 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.872 -2.501 5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.843 -3.759 6.135 1.00 0.00 H new ATOM 243 N TYR A 16 -8.079 -5.326 8.501 1.00 0.00 N ATOM 244 CA TYR A 16 -8.071 -6.638 9.092 1.00 0.00 C ATOM 245 C TYR A 16 -9.465 -6.964 9.576 1.00 0.00 C ATOM 246 O TYR A 16 -9.838 -8.122 9.677 1.00 0.00 O ATOM 247 CB TYR A 16 -7.067 -6.753 10.224 1.00 0.00 C ATOM 248 CG TYR A 16 -6.322 -8.037 10.105 1.00 0.00 C ATOM 249 CD1 TYR A 16 -5.506 -8.233 9.018 1.00 0.00 C ATOM 250 CD2 TYR A 16 -6.456 -9.053 11.036 1.00 0.00 C ATOM 251 CE1 TYR A 16 -4.822 -9.419 8.853 1.00 0.00 C ATOM 252 CE2 TYR A 16 -5.775 -10.243 10.886 1.00 0.00 C ATOM 253 CZ TYR A 16 -4.956 -10.422 9.792 1.00 0.00 C ATOM 254 OH TYR A 16 -4.274 -11.605 9.632 1.00 0.00 O ATOM 0 H TYR A 16 -7.460 -4.647 8.944 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.762 -7.356 8.333 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.372 -5.914 10.193 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.580 -6.707 11.184 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.399 -7.449 8.283 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.102 -8.912 11.890 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.184 -9.562 7.993 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -5.883 -11.028 11.620 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.477 -12.204 10.381 1.00 0.00 H new ATOM 264 N LYS A 17 -10.239 -5.918 9.839 1.00 0.00 N ATOM 265 CA LYS A 17 -11.615 -6.081 10.258 1.00 0.00 C ATOM 266 C LYS A 17 -12.519 -6.212 9.027 1.00 0.00 C ATOM 267 O LYS A 17 -13.736 -6.340 9.154 1.00 0.00 O ATOM 268 CB LYS A 17 -12.066 -4.895 11.109 1.00 0.00 C ATOM 269 CG LYS A 17 -11.179 -4.643 12.314 1.00 0.00 C ATOM 270 CD LYS A 17 -10.247 -3.476 12.081 1.00 0.00 C ATOM 271 CE LYS A 17 -9.116 -3.447 13.095 1.00 0.00 C ATOM 272 NZ LYS A 17 -9.574 -2.957 14.425 1.00 0.00 N ATOM 0 H LYS A 17 -9.931 -4.948 9.768 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.689 -6.986 10.861 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.085 -3.999 10.488 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.087 -5.069 11.449 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.799 -4.446 13.189 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.596 -5.538 12.532 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.832 -3.537 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.810 -2.544 12.137 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.698 -4.448 13.201 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.316 -2.805 12.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.773 -2.952 15.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.949 -1.992 14.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.320 -3.584 14.788 1.00 0.00 H new ATOM 286 N ASP A 18 -11.909 -6.182 7.832 1.00 0.00 N ATOM 287 CA ASP A 18 -12.650 -6.298 6.578 1.00 0.00 C ATOM 288 C ASP A 18 -13.008 -7.758 6.299 1.00 0.00 C ATOM 289 O ASP A 18 -12.127 -8.567 6.012 1.00 0.00 O ATOM 290 CB ASP A 18 -11.846 -5.739 5.406 1.00 0.00 C ATOM 291 CG ASP A 18 -11.985 -4.236 5.280 1.00 0.00 C ATOM 292 OD1 ASP A 18 -12.011 -3.551 6.324 1.00 0.00 O ATOM 293 OD2 ASP A 18 -12.073 -3.743 4.135 1.00 0.00 O ATOM 0 H ASP A 18 -10.901 -6.078 7.714 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.565 -5.715 6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.794 -5.995 5.534 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.179 -6.211 4.482 1.00 0.00 H new ATOM 298 N PRO A 19 -14.300 -8.122 6.390 1.00 0.00 N ATOM 299 CA PRO A 19 -14.762 -9.501 6.161 1.00 0.00 C ATOM 300 C PRO A 19 -14.210 -10.134 4.886 1.00 0.00 C ATOM 301 O PRO A 19 -14.114 -11.358 4.792 1.00 0.00 O ATOM 302 CB PRO A 19 -16.274 -9.343 6.076 1.00 0.00 C ATOM 303 CG PRO A 19 -16.551 -8.193 6.972 1.00 0.00 C ATOM 304 CD PRO A 19 -15.423 -7.230 6.737 1.00 0.00 C ATOM 0 HA PRO A 19 -14.421 -10.172 6.950 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.600 -9.145 5.055 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.791 -10.244 6.407 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.513 -7.736 6.740 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -16.590 -8.507 8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.649 -6.531 5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.208 -6.635 7.624 1.00 0.00 H new ATOM 312 N GLU A 20 -13.838 -9.313 3.911 1.00 0.00 N ATOM 313 CA GLU A 20 -13.291 -9.832 2.667 1.00 0.00 C ATOM 314 C GLU A 20 -11.778 -9.715 2.649 1.00 0.00 C ATOM 315 O GLU A 20 -11.122 -9.875 1.620 1.00 0.00 O ATOM 316 CB GLU A 20 -13.894 -9.106 1.496 1.00 0.00 C ATOM 317 CG GLU A 20 -15.328 -9.514 1.256 1.00 0.00 C ATOM 318 CD GLU A 20 -16.026 -8.649 0.226 1.00 0.00 C ATOM 319 OE1 GLU A 20 -15.483 -7.577 -0.117 1.00 0.00 O ATOM 320 OE2 GLU A 20 -17.119 -9.040 -0.235 1.00 0.00 O ATOM 0 H GLU A 20 -13.905 -8.296 3.958 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.545 -10.889 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.847 -8.031 1.672 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.305 -9.308 0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.354 -10.553 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.877 -9.463 2.197 1.00 0.00 H new ATOM 327 N VAL A 21 -11.259 -9.515 3.833 1.00 0.00 N ATOM 328 CA VAL A 21 -9.838 -9.456 4.093 1.00 0.00 C ATOM 329 C VAL A 21 -9.555 -10.590 5.059 1.00 0.00 C ATOM 330 O VAL A 21 -8.579 -11.327 4.923 1.00 0.00 O ATOM 331 CB VAL A 21 -9.406 -8.106 4.701 1.00 0.00 C ATOM 332 CG1 VAL A 21 -7.975 -8.173 5.219 1.00 0.00 C ATOM 333 CG2 VAL A 21 -9.552 -6.993 3.676 1.00 0.00 C ATOM 0 H VAL A 21 -11.828 -9.384 4.670 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.275 -9.550 3.164 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.059 -7.889 5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.696 -7.208 5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.902 -8.942 5.988 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.302 -8.417 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.243 -6.047 4.120 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.925 -7.210 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.593 -6.923 3.360 1.00 0.00 H new ATOM 343 N LYS A 22 -10.492 -10.761 5.999 1.00 0.00 N ATOM 344 CA LYS A 22 -10.440 -11.839 6.960 1.00 0.00 C ATOM 345 C LYS A 22 -10.281 -13.143 6.201 1.00 0.00 C ATOM 346 O LYS A 22 -9.511 -14.023 6.582 1.00 0.00 O ATOM 347 CB LYS A 22 -11.755 -11.919 7.755 1.00 0.00 C ATOM 348 CG LYS A 22 -12.364 -10.590 8.141 1.00 0.00 C ATOM 349 CD LYS A 22 -11.420 -9.769 8.982 1.00 0.00 C ATOM 350 CE LYS A 22 -11.378 -10.266 10.419 1.00 0.00 C ATOM 351 NZ LYS A 22 -10.560 -11.502 10.558 1.00 0.00 N ATOM 0 H LYS A 22 -11.302 -10.150 6.104 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.610 -11.664 7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.483 -12.475 7.164 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.576 -12.494 8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.627 -10.035 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.289 -10.760 8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.419 -9.810 8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.731 -8.725 8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.968 -9.486 11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.393 -10.462 10.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.001 -11.452 11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.187 -12.331 10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.919 -11.588 9.743 1.00 0.00 H new ATOM 365 N ALA A 23 -11.046 -13.246 5.113 1.00 0.00 N ATOM 366 CA ALA A 23 -11.030 -14.429 4.272 1.00 0.00 C ATOM 367 C ALA A 23 -9.884 -14.378 3.276 1.00 0.00 C ATOM 368 O ALA A 23 -9.353 -15.410 2.869 1.00 0.00 O ATOM 369 CB ALA A 23 -12.359 -14.584 3.548 1.00 0.00 C ATOM 0 H ALA A 23 -11.685 -12.516 4.798 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.879 -15.297 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.330 -15.476 2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.162 -14.679 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.538 -13.708 2.924 1.00 0.00 H new ATOM 375 N ASN A 24 -9.507 -13.169 2.892 1.00 0.00 N ATOM 376 CA ASN A 24 -8.423 -12.977 1.948 1.00 0.00 C ATOM 377 C ASN A 24 -7.089 -12.904 2.679 1.00 0.00 C ATOM 378 O ASN A 24 -6.552 -11.818 2.900 1.00 0.00 O ATOM 379 CB ASN A 24 -8.644 -11.703 1.133 1.00 0.00 C ATOM 380 CG ASN A 24 -9.428 -11.962 -0.138 1.00 0.00 C ATOM 381 OD1 ASN A 24 -8.753 -12.481 -1.156 1.00 0.00 O flip ATOM 382 ND2 ASN A 24 -10.629 -11.696 -0.206 1.00 0.00 N flip ATOM 0 H ASN A 24 -9.938 -12.305 3.222 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.405 -13.829 1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.175 -10.972 1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.679 -11.265 0.879 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.110 -11.298 0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.143 -11.874 -1.069 1.00 0.00 H new ATOM 389 N GLU A 25 -6.561 -14.063 3.062 1.00 0.00 N ATOM 390 CA GLU A 25 -5.295 -14.118 3.780 1.00 0.00 C ATOM 391 C GLU A 25 -4.231 -13.290 3.075 1.00 0.00 C ATOM 392 O GLU A 25 -3.437 -12.612 3.712 1.00 0.00 O ATOM 393 CB GLU A 25 -4.834 -15.578 3.959 1.00 0.00 C ATOM 394 CG GLU A 25 -3.790 -16.056 2.953 1.00 0.00 C ATOM 395 CD GLU A 25 -4.358 -16.237 1.558 1.00 0.00 C ATOM 396 OE1 GLU A 25 -5.584 -16.066 1.388 1.00 0.00 O ATOM 397 OE2 GLU A 25 -3.576 -16.550 0.636 1.00 0.00 O ATOM 0 H GLU A 25 -6.989 -14.972 2.887 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.447 -13.688 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.427 -15.694 4.964 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.706 -16.229 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.971 -15.337 2.917 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.369 -17.002 3.295 1.00 0.00 H new ATOM 404 N PHE A 26 -4.231 -13.343 1.757 1.00 0.00 N ATOM 405 CA PHE A 26 -3.264 -12.591 0.969 1.00 0.00 C ATOM 406 C PHE A 26 -3.376 -11.098 1.260 1.00 0.00 C ATOM 407 O PHE A 26 -2.371 -10.416 1.457 1.00 0.00 O ATOM 408 CB PHE A 26 -3.468 -12.874 -0.528 1.00 0.00 C ATOM 409 CG PHE A 26 -3.276 -11.675 -1.418 1.00 0.00 C ATOM 410 CD1 PHE A 26 -2.108 -10.932 -1.363 1.00 0.00 C ATOM 411 CD2 PHE A 26 -4.270 -11.290 -2.304 1.00 0.00 C ATOM 412 CE1 PHE A 26 -1.935 -9.827 -2.174 1.00 0.00 C ATOM 413 CE2 PHE A 26 -4.102 -10.187 -3.118 1.00 0.00 C ATOM 414 CZ PHE A 26 -2.933 -9.454 -3.052 1.00 0.00 C ATOM 0 H PHE A 26 -4.887 -13.897 1.207 1.00 0.00 H new ATOM 0 HA PHE A 26 -2.261 -12.912 1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.773 -13.655 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.474 -13.265 -0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.324 -11.220 -0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.186 -11.859 -2.358 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.020 -9.256 -2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.883 -9.898 -3.805 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.800 -8.590 -3.686 1.00 0.00 H new ATOM 424 N LEU A 27 -4.600 -10.593 1.275 1.00 0.00 N ATOM 425 CA LEU A 27 -4.834 -9.187 1.530 1.00 0.00 C ATOM 426 C LEU A 27 -4.580 -8.841 2.987 1.00 0.00 C ATOM 427 O LEU A 27 -3.885 -7.869 3.279 1.00 0.00 O ATOM 428 CB LEU A 27 -6.251 -8.810 1.128 1.00 0.00 C ATOM 429 CG LEU A 27 -6.445 -8.676 -0.375 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.657 -10.037 -1.008 1.00 0.00 C ATOM 431 CD2 LEU A 27 -7.604 -7.742 -0.684 1.00 0.00 C ATOM 0 H LEU A 27 -5.446 -11.140 1.113 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.132 -8.611 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.940 -9.564 1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.516 -7.866 1.605 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.541 -8.243 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.794 -9.921 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.787 -10.666 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.543 -10.504 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.727 -7.659 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.519 -8.139 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.399 -6.757 -0.266 1.00 0.00 H new ATOM 443 N SER A 28 -5.131 -9.634 3.905 1.00 0.00 N ATOM 444 CA SER A 28 -4.918 -9.361 5.315 1.00 0.00 C ATOM 445 C SER A 28 -3.457 -9.576 5.677 1.00 0.00 C ATOM 446 O SER A 28 -2.830 -8.715 6.282 1.00 0.00 O ATOM 447 CB SER A 28 -5.856 -10.162 6.215 1.00 0.00 C ATOM 448 OG SER A 28 -5.183 -11.240 6.844 1.00 0.00 O ATOM 0 H SER A 28 -5.712 -10.447 3.701 1.00 0.00 H new ATOM 0 HA SER A 28 -5.163 -8.314 5.491 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.281 -9.505 6.974 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.687 -10.547 5.624 1.00 0.00 H new ATOM 0 HG SER A 28 -5.190 -11.108 7.815 1.00 0.00 H new ATOM 454 N LYS A 29 -2.904 -10.703 5.268 1.00 0.00 N ATOM 455 CA LYS A 29 -1.497 -10.986 5.532 1.00 0.00 C ATOM 456 C LYS A 29 -0.646 -9.814 5.072 1.00 0.00 C ATOM 457 O LYS A 29 0.374 -9.497 5.683 1.00 0.00 O ATOM 458 CB LYS A 29 -1.052 -12.288 4.848 1.00 0.00 C ATOM 459 CG LYS A 29 -0.555 -12.117 3.422 1.00 0.00 C ATOM 460 CD LYS A 29 -0.404 -13.458 2.715 1.00 0.00 C ATOM 461 CE LYS A 29 0.468 -14.423 3.503 1.00 0.00 C ATOM 462 NZ LYS A 29 1.574 -14.977 2.675 1.00 0.00 N ATOM 0 H LYS A 29 -3.398 -11.434 4.756 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.365 -11.122 6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.260 -12.743 5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.889 -12.986 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.251 -11.489 2.866 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.404 -11.600 3.430 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.388 -13.901 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.030 -13.300 1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.885 -13.910 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.146 -15.240 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.144 -15.630 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.176 -15.489 1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.175 -14.200 2.334 1.00 0.00 H new ATOM 476 N LEU A 30 -1.085 -9.157 4.003 1.00 0.00 N ATOM 477 CA LEU A 30 -0.360 -8.006 3.496 1.00 0.00 C ATOM 478 C LEU A 30 -0.576 -6.804 4.406 1.00 0.00 C ATOM 479 O LEU A 30 0.381 -6.142 4.803 1.00 0.00 O ATOM 480 CB LEU A 30 -0.770 -7.682 2.056 1.00 0.00 C ATOM 481 CG LEU A 30 0.132 -8.272 0.961 1.00 0.00 C ATOM 482 CD1 LEU A 30 0.160 -7.353 -0.248 1.00 0.00 C ATOM 483 CD2 LEU A 30 1.549 -8.513 1.476 1.00 0.00 C ATOM 0 H LEU A 30 -1.927 -9.400 3.480 1.00 0.00 H new ATOM 0 HA LEU A 30 0.703 -8.249 3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.787 -8.041 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.793 -6.599 1.939 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.285 -9.235 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.803 -7.782 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.850 -7.239 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.548 -6.377 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.161 -8.931 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.981 -7.569 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.518 -9.212 2.312 1.00 0.00 H new ATOM 495 N VAL A 31 -1.830 -6.545 4.774 1.00 0.00 N ATOM 496 CA VAL A 31 -2.131 -5.450 5.674 1.00 0.00 C ATOM 497 C VAL A 31 -1.458 -5.701 7.017 1.00 0.00 C ATOM 498 O VAL A 31 -1.265 -4.782 7.807 1.00 0.00 O ATOM 499 CB VAL A 31 -3.649 -5.262 5.875 1.00 0.00 C ATOM 500 CG1 VAL A 31 -4.274 -4.561 4.679 1.00 0.00 C ATOM 501 CG2 VAL A 31 -4.332 -6.577 6.136 1.00 0.00 C ATOM 0 H VAL A 31 -2.642 -7.077 4.462 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.747 -4.534 5.225 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.789 -4.631 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.344 -4.441 4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.815 -3.581 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.112 -5.158 3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.400 -6.411 6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.174 -7.243 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.917 -7.030 7.036 1.00 0.00 H new ATOM 511 N VAL A 32 -1.080 -6.962 7.250 1.00 0.00 N ATOM 512 CA VAL A 32 -0.399 -7.354 8.473 1.00 0.00 C ATOM 513 C VAL A 32 1.068 -6.989 8.393 1.00 0.00 C ATOM 514 O VAL A 32 1.552 -6.109 9.110 1.00 0.00 O ATOM 515 CB VAL A 32 -0.525 -8.866 8.722 1.00 0.00 C ATOM 516 CG1 VAL A 32 0.094 -9.246 10.058 1.00 0.00 C ATOM 517 CG2 VAL A 32 -1.981 -9.293 8.653 1.00 0.00 C ATOM 0 H VAL A 32 -1.239 -7.729 6.597 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.871 -6.821 9.298 1.00 0.00 H new ATOM 0 HB VAL A 32 0.022 -9.393 7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.007 -10.320 10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.150 -8.976 10.059 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.417 -8.714 10.860 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.054 -10.366 8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.553 -8.759 9.412 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.382 -9.061 7.666 1.00 0.00 H new ATOM 527 N GLN A 33 1.771 -7.657 7.496 1.00 0.00 N ATOM 528 CA GLN A 33 3.185 -7.389 7.297 1.00 0.00 C ATOM 529 C GLN A 33 3.384 -5.894 7.129 1.00 0.00 C ATOM 530 O GLN A 33 4.091 -5.258 7.902 1.00 0.00 O ATOM 531 CB GLN A 33 3.740 -8.181 6.090 1.00 0.00 C ATOM 532 CG GLN A 33 3.951 -7.373 4.813 1.00 0.00 C ATOM 533 CD GLN A 33 4.770 -8.123 3.780 1.00 0.00 C ATOM 534 OE1 GLN A 33 4.140 -9.076 3.104 1.00 0.00 O flip ATOM 535 NE2 GLN A 33 5.955 -7.847 3.590 1.00 0.00 N flip ATOM 0 H GLN A 33 1.388 -8.387 6.895 1.00 0.00 H new ATOM 0 HA GLN A 33 3.745 -7.723 8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.692 -8.627 6.378 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.056 -9.001 5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.982 -7.115 4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.451 -6.436 5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.400 -7.106 4.133 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.492 -8.359 2.890 1.00 0.00 H new ATOM 544 N CYS A 34 2.714 -5.344 6.132 1.00 0.00 N ATOM 545 CA CYS A 34 2.779 -3.918 5.856 1.00 0.00 C ATOM 546 C CYS A 34 2.434 -3.114 7.104 1.00 0.00 C ATOM 547 O CYS A 34 3.012 -2.056 7.347 1.00 0.00 O ATOM 548 CB CYS A 34 1.826 -3.554 4.716 1.00 0.00 C ATOM 549 SG CYS A 34 2.115 -4.479 3.190 1.00 0.00 S ATOM 0 H CYS A 34 2.114 -5.867 5.495 1.00 0.00 H new ATOM 0 HA CYS A 34 3.798 -3.673 5.556 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.801 -3.726 5.044 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.918 -2.488 4.506 1.00 0.00 H new ATOM 0 HG CYS A 34 1.531 -5.638 3.268 1.00 0.00 H new ATOM 555 N ALA A 35 1.495 -3.625 7.906 1.00 0.00 N ATOM 556 CA ALA A 35 1.100 -2.938 9.131 1.00 0.00 C ATOM 557 C ALA A 35 2.319 -2.695 10.013 1.00 0.00 C ATOM 558 O ALA A 35 2.369 -1.730 10.772 1.00 0.00 O ATOM 559 CB ALA A 35 0.027 -3.724 9.882 1.00 0.00 C ATOM 0 H ALA A 35 1.002 -4.500 7.729 1.00 0.00 H new ATOM 0 HA ALA A 35 0.670 -1.973 8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.248 -3.188 10.791 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.852 -3.837 9.248 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.414 -4.709 10.145 1.00 0.00 H new ATOM 565 N GLY A 36 3.310 -3.568 9.888 1.00 0.00 N ATOM 566 CA GLY A 36 4.528 -3.421 10.663 1.00 0.00 C ATOM 567 C GLY A 36 5.504 -2.468 10.001 1.00 0.00 C ATOM 568 O GLY A 36 6.070 -1.588 10.652 1.00 0.00 O ATOM 0 H GLY A 36 3.293 -4.375 9.264 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.283 -3.056 11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.000 -4.396 10.788 1.00 0.00 H new ATOM 572 N LYS A 37 5.695 -2.647 8.698 1.00 0.00 N ATOM 573 CA LYS A 37 6.591 -1.820 7.915 1.00 0.00 C ATOM 574 C LYS A 37 6.303 -0.333 8.100 1.00 0.00 C ATOM 575 O LYS A 37 7.159 0.512 7.841 1.00 0.00 O ATOM 576 CB LYS A 37 6.453 -2.196 6.446 1.00 0.00 C ATOM 577 CG LYS A 37 7.122 -3.512 6.120 1.00 0.00 C ATOM 578 CD LYS A 37 6.232 -4.701 6.401 1.00 0.00 C ATOM 579 CE LYS A 37 6.873 -5.630 7.423 1.00 0.00 C ATOM 580 NZ LYS A 37 6.383 -5.387 8.809 1.00 0.00 N ATOM 0 H LYS A 37 5.228 -3.375 8.158 1.00 0.00 H new ATOM 0 HA LYS A 37 7.610 -1.998 8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.396 -2.256 6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.888 -1.409 5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.410 -3.519 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.039 -3.603 6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.266 -4.358 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.044 -5.246 5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.669 -6.664 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.955 -5.501 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 6.493 -6.254 9.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 6.935 -4.620 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.379 -5.118 8.780 1.00 0.00 H new ATOM 594 N LEU A 38 5.087 -0.018 8.531 1.00 0.00 N ATOM 595 CA LEU A 38 4.682 1.367 8.729 1.00 0.00 C ATOM 596 C LEU A 38 5.052 1.860 10.118 1.00 0.00 C ATOM 597 O LEU A 38 5.504 2.993 10.276 1.00 0.00 O ATOM 598 CB LEU A 38 3.176 1.510 8.505 1.00 0.00 C ATOM 599 CG LEU A 38 2.689 1.277 7.064 1.00 0.00 C ATOM 600 CD1 LEU A 38 3.803 0.729 6.176 1.00 0.00 C ATOM 601 CD2 LEU A 38 1.492 0.338 7.052 1.00 0.00 C ATOM 0 H LEU A 38 4.365 -0.704 8.750 1.00 0.00 H new ATOM 0 HA LEU A 38 5.215 1.980 8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.662 0.807 9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.875 2.511 8.813 1.00 0.00 H new ATOM 0 HG LEU A 38 2.385 2.242 6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.422 0.577 5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.629 1.439 6.149 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.154 -0.221 6.578 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.160 0.184 6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.776 -0.619 7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.681 0.776 7.634 1.00 0.00 H new ATOM 613 N THR A 39 4.868 1.011 11.126 1.00 0.00 N ATOM 614 CA THR A 39 5.199 1.390 12.494 1.00 0.00 C ATOM 615 C THR A 39 6.599 1.988 12.555 1.00 0.00 C ATOM 616 O THR A 39 6.892 2.831 13.402 1.00 0.00 O ATOM 617 CB THR A 39 5.084 0.194 13.435 1.00 0.00 C ATOM 618 OG1 THR A 39 4.793 -0.993 12.720 1.00 0.00 O ATOM 619 CG2 THR A 39 4.018 0.374 14.489 1.00 0.00 C ATOM 0 H THR A 39 4.496 0.067 11.022 1.00 0.00 H new ATOM 0 HA THR A 39 4.484 2.145 12.821 1.00 0.00 H new ATOM 0 HB THR A 39 6.054 0.119 13.926 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.570 -1.248 12.179 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.984 -0.509 15.127 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.249 1.251 15.094 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.050 0.511 14.008 1.00 0.00 H new ATOM 627 N ALA A 40 7.450 1.564 11.627 1.00 0.00 N ATOM 628 CA ALA A 40 8.804 2.074 11.550 1.00 0.00 C ATOM 629 C ALA A 40 8.931 3.063 10.402 1.00 0.00 C ATOM 630 O ALA A 40 9.948 3.097 9.708 1.00 0.00 O ATOM 631 CB ALA A 40 9.816 0.952 11.372 1.00 0.00 C ATOM 0 H ALA A 40 7.221 0.867 10.919 1.00 0.00 H new ATOM 0 HA ALA A 40 9.018 2.579 12.492 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.820 1.373 11.318 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.754 0.268 12.219 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.600 0.410 10.451 1.00 0.00 H new ATOM 637 N SER A 41 7.892 3.867 10.194 1.00 0.00 N ATOM 638 CA SER A 41 7.907 4.846 9.116 1.00 0.00 C ATOM 639 C SER A 41 9.178 5.681 9.167 1.00 0.00 C ATOM 640 O SER A 41 9.622 6.208 8.147 1.00 0.00 O ATOM 641 CB SER A 41 6.676 5.743 9.183 1.00 0.00 C ATOM 642 OG SER A 41 6.888 6.837 10.059 1.00 0.00 O ATOM 0 H SER A 41 7.038 3.859 10.752 1.00 0.00 H new ATOM 0 HA SER A 41 7.887 4.307 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.437 6.113 8.186 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.818 5.163 9.522 1.00 0.00 H new ATOM 0 HG SER A 41 7.265 7.590 9.557 1.00 0.00 H new ATOM 648 N ASN A 42 9.791 5.760 10.351 1.00 0.00 N ATOM 649 CA ASN A 42 11.044 6.485 10.506 1.00 0.00 C ATOM 650 C ASN A 42 12.010 6.041 9.414 1.00 0.00 C ATOM 651 O ASN A 42 12.854 6.809 8.952 1.00 0.00 O ATOM 652 CB ASN A 42 11.642 6.215 11.884 1.00 0.00 C ATOM 653 CG ASN A 42 12.768 7.171 12.226 1.00 0.00 C ATOM 654 OD1 ASN A 42 13.904 6.755 12.450 1.00 0.00 O ATOM 655 ND2 ASN A 42 12.457 8.461 12.267 1.00 0.00 N ATOM 0 H ASN A 42 9.439 5.332 11.208 1.00 0.00 H new ATOM 0 HA ASN A 42 10.861 7.556 10.417 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.859 6.296 12.638 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.015 5.191 11.920 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.174 9.151 12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.502 8.762 12.074 1.00 0.00 H new ATOM 662 N SER A 43 11.830 4.794 8.979 1.00 0.00 N ATOM 663 CA SER A 43 12.609 4.221 7.921 1.00 0.00 C ATOM 664 C SER A 43 11.790 4.304 6.645 1.00 0.00 C ATOM 665 O SER A 43 11.384 3.286 6.084 1.00 0.00 O ATOM 666 CB SER A 43 12.964 2.766 8.235 1.00 0.00 C ATOM 667 OG SER A 43 13.406 2.626 9.574 1.00 0.00 O ATOM 0 H SER A 43 11.129 4.161 9.365 1.00 0.00 H new ATOM 0 HA SER A 43 13.545 4.767 7.808 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.093 2.132 8.068 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.743 2.423 7.554 1.00 0.00 H new ATOM 0 HG SER A 43 13.625 1.687 9.750 1.00 0.00 H new ATOM 673 N GLU A 44 11.521 5.532 6.206 1.00 0.00 N ATOM 674 CA GLU A 44 10.715 5.747 5.014 1.00 0.00 C ATOM 675 C GLU A 44 11.331 5.031 3.834 1.00 0.00 C ATOM 676 O GLU A 44 10.641 4.663 2.895 1.00 0.00 O ATOM 677 CB GLU A 44 10.582 7.241 4.716 1.00 0.00 C ATOM 678 CG GLU A 44 11.726 7.825 3.904 1.00 0.00 C ATOM 679 CD GLU A 44 12.112 9.219 4.363 1.00 0.00 C ATOM 680 OE1 GLU A 44 11.206 10.065 4.517 1.00 0.00 O ATOM 681 OE2 GLU A 44 13.319 9.463 4.567 1.00 0.00 O ATOM 0 H GLU A 44 11.849 6.386 6.657 1.00 0.00 H new ATOM 0 HA GLU A 44 9.719 5.342 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.649 7.410 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.509 7.782 5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.593 7.168 3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.441 7.858 2.852 1.00 0.00 H new ATOM 688 N ASN A 45 12.627 4.808 3.913 1.00 0.00 N ATOM 689 CA ASN A 45 13.336 4.095 2.861 1.00 0.00 C ATOM 690 C ASN A 45 12.885 2.644 2.846 1.00 0.00 C ATOM 691 O ASN A 45 12.756 2.012 1.794 1.00 0.00 O ATOM 692 CB ASN A 45 14.848 4.180 3.074 1.00 0.00 C ATOM 693 CG ASN A 45 15.611 4.305 1.770 1.00 0.00 C ATOM 694 OD1 ASN A 45 16.519 5.272 1.707 1.00 0.00 O flip ATOM 695 ND2 ASN A 45 15.387 3.543 0.831 1.00 0.00 N flip ATOM 0 H ASN A 45 13.213 5.108 4.692 1.00 0.00 H new ATOM 0 HA ASN A 45 13.105 4.556 1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 45 15.075 5.037 3.708 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.187 3.291 3.606 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.680 2.814 0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.908 3.640 -0.040 1.00 0.00 H new ATOM 702 N SER A 46 12.614 2.145 4.033 1.00 0.00 N ATOM 703 CA SER A 46 12.142 0.790 4.217 1.00 0.00 C ATOM 704 C SER A 46 10.649 0.729 3.948 1.00 0.00 C ATOM 705 O SER A 46 10.120 -0.265 3.445 1.00 0.00 O ATOM 706 CB SER A 46 12.450 0.325 5.634 1.00 0.00 C ATOM 707 OG SER A 46 11.645 -0.781 6.002 1.00 0.00 O ATOM 0 H SER A 46 12.715 2.671 4.901 1.00 0.00 H new ATOM 0 HA SER A 46 12.651 0.128 3.516 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.502 0.051 5.708 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.284 1.146 6.332 1.00 0.00 H new ATOM 0 HG SER A 46 11.867 -1.057 6.916 1.00 0.00 H new ATOM 713 N TYR A 47 9.993 1.836 4.256 1.00 0.00 N ATOM 714 CA TYR A 47 8.593 1.994 4.036 1.00 0.00 C ATOM 715 C TYR A 47 8.414 2.373 2.581 1.00 0.00 C ATOM 716 O TYR A 47 7.360 2.164 2.003 1.00 0.00 O ATOM 717 CB TYR A 47 8.037 3.033 5.024 1.00 0.00 C ATOM 718 CG TYR A 47 7.000 3.971 4.463 1.00 0.00 C ATOM 719 CD1 TYR A 47 7.363 4.980 3.590 1.00 0.00 C ATOM 720 CD2 TYR A 47 5.665 3.850 4.817 1.00 0.00 C ATOM 721 CE1 TYR A 47 6.420 5.847 3.077 1.00 0.00 C ATOM 722 CE2 TYR A 47 4.715 4.710 4.311 1.00 0.00 C ATOM 723 CZ TYR A 47 5.094 5.707 3.442 1.00 0.00 C ATOM 724 OH TYR A 47 4.146 6.561 2.933 1.00 0.00 O ATOM 0 H TYR A 47 10.439 2.654 4.672 1.00 0.00 H new ATOM 0 HA TYR A 47 8.030 1.079 4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.603 2.505 5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.868 3.625 5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.399 5.091 3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.365 3.069 5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.716 6.630 2.395 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.679 4.602 4.595 1.00 0.00 H new ATOM 0 HH TYR A 47 3.265 6.323 3.291 1.00 0.00 H new ATOM 734 N ILE A 48 9.508 2.896 2.005 1.00 0.00 N ATOM 735 CA ILE A 48 9.573 3.287 0.605 1.00 0.00 C ATOM 736 C ILE A 48 9.492 2.055 -0.254 1.00 0.00 C ATOM 737 O ILE A 48 8.866 2.056 -1.306 1.00 0.00 O ATOM 738 CB ILE A 48 10.916 4.018 0.285 1.00 0.00 C ATOM 739 CG1 ILE A 48 10.809 5.540 0.441 1.00 0.00 C ATOM 740 CG2 ILE A 48 11.411 3.679 -1.113 1.00 0.00 C ATOM 741 CD1 ILE A 48 9.413 6.010 0.713 1.00 0.00 C ATOM 0 H ILE A 48 10.378 3.057 2.512 1.00 0.00 H new ATOM 0 HA ILE A 48 8.743 3.963 0.402 1.00 0.00 H new ATOM 0 HB ILE A 48 11.638 3.657 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.459 5.862 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.176 6.018 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 48 12.347 4.203 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 48 11.575 2.604 -1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.666 3.986 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.407 7.095 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.764 5.718 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.051 5.559 1.637 1.00 0.00 H new ATOM 753 N GLU A 49 10.132 0.998 0.209 1.00 0.00 N ATOM 754 CA GLU A 49 10.128 -0.237 -0.520 1.00 0.00 C ATOM 755 C GLU A 49 8.740 -0.794 -0.498 1.00 0.00 C ATOM 756 O GLU A 49 8.117 -0.952 -1.543 1.00 0.00 O ATOM 757 CB GLU A 49 11.141 -1.223 0.062 1.00 0.00 C ATOM 758 CG GLU A 49 12.360 -0.544 0.670 1.00 0.00 C ATOM 759 CD GLU A 49 13.533 -1.489 0.843 1.00 0.00 C ATOM 760 OE1 GLU A 49 13.454 -2.381 1.714 1.00 0.00 O ATOM 761 OE2 GLU A 49 14.531 -1.337 0.109 1.00 0.00 O ATOM 0 H GLU A 49 10.657 0.978 1.084 1.00 0.00 H new ATOM 0 HA GLU A 49 10.428 -0.059 -1.553 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.652 -1.828 0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.467 -1.904 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.661 0.289 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.091 -0.125 1.639 1.00 0.00 H new ATOM 768 N VAL A 50 8.225 -1.028 0.698 1.00 0.00 N ATOM 769 CA VAL A 50 6.871 -1.505 0.810 1.00 0.00 C ATOM 770 C VAL A 50 5.926 -0.448 0.253 1.00 0.00 C ATOM 771 O VAL A 50 4.793 -0.745 -0.122 1.00 0.00 O ATOM 772 CB VAL A 50 6.485 -1.866 2.259 1.00 0.00 C ATOM 773 CG1 VAL A 50 6.619 -0.659 3.171 1.00 0.00 C ATOM 774 CG2 VAL A 50 5.074 -2.430 2.312 1.00 0.00 C ATOM 0 H VAL A 50 8.717 -0.897 1.582 1.00 0.00 H new ATOM 0 HA VAL A 50 6.790 -2.426 0.233 1.00 0.00 H new ATOM 0 HB VAL A 50 7.173 -2.634 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.341 -0.938 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.651 -0.308 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.961 0.136 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.820 -2.679 3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.371 -1.688 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.018 -3.329 1.698 1.00 0.00 H new ATOM 784 N ILE A 51 6.424 0.790 0.162 1.00 0.00 N ATOM 785 CA ILE A 51 5.648 1.879 -0.394 1.00 0.00 C ATOM 786 C ILE A 51 5.669 1.771 -1.914 1.00 0.00 C ATOM 787 O ILE A 51 4.688 2.101 -2.581 1.00 0.00 O ATOM 788 CB ILE A 51 6.158 3.263 0.112 1.00 0.00 C ATOM 789 CG1 ILE A 51 5.185 3.843 1.141 1.00 0.00 C ATOM 790 CG2 ILE A 51 6.362 4.267 -1.012 1.00 0.00 C ATOM 791 CD1 ILE A 51 3.719 3.568 0.847 1.00 0.00 C ATOM 0 H ILE A 51 7.361 1.052 0.469 1.00 0.00 H new ATOM 0 HA ILE A 51 4.615 1.803 -0.054 1.00 0.00 H new ATOM 0 HB ILE A 51 7.130 3.085 0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.428 3.436 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.335 4.921 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.717 5.210 -0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.098 3.880 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.417 4.431 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.102 4.015 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.454 4.000 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.549 2.492 0.822 1.00 0.00 H new ATOM 803 N SER A 52 6.774 1.259 -2.458 1.00 0.00 N ATOM 804 CA SER A 52 6.877 1.062 -3.889 1.00 0.00 C ATOM 805 C SER A 52 6.012 -0.121 -4.293 1.00 0.00 C ATOM 806 O SER A 52 5.436 -0.154 -5.381 1.00 0.00 O ATOM 807 CB SER A 52 8.317 0.820 -4.330 1.00 0.00 C ATOM 808 OG SER A 52 9.213 1.678 -3.651 1.00 0.00 O ATOM 0 H SER A 52 7.599 0.978 -1.928 1.00 0.00 H new ATOM 0 HA SER A 52 6.532 1.971 -4.381 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.589 -0.218 -4.139 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.402 0.979 -5.405 1.00 0.00 H new ATOM 0 HG SER A 52 9.250 1.429 -2.704 1.00 0.00 H new ATOM 814 N LEU A 53 5.939 -1.098 -3.389 1.00 0.00 N ATOM 815 CA LEU A 53 5.166 -2.304 -3.617 1.00 0.00 C ATOM 816 C LEU A 53 3.698 -2.087 -3.293 1.00 0.00 C ATOM 817 O LEU A 53 2.832 -2.712 -3.885 1.00 0.00 O ATOM 818 CB LEU A 53 5.702 -3.470 -2.785 1.00 0.00 C ATOM 819 CG LEU A 53 7.162 -3.350 -2.380 1.00 0.00 C ATOM 820 CD1 LEU A 53 7.604 -4.567 -1.582 1.00 0.00 C ATOM 821 CD2 LEU A 53 8.042 -3.154 -3.605 1.00 0.00 C ATOM 0 H LEU A 53 6.413 -1.070 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 53 5.262 -2.549 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.096 -3.562 -1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.572 -4.392 -3.352 1.00 0.00 H new ATOM 0 HG LEU A 53 7.269 -2.474 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.652 -4.458 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.996 -4.652 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.481 -5.464 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.084 -3.070 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.930 -4.007 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.744 -2.244 -4.125 1.00 0.00 H new ATOM 833 N LEU A 54 3.427 -1.218 -2.329 1.00 0.00 N ATOM 834 CA LEU A 54 2.058 -0.954 -1.914 1.00 0.00 C ATOM 835 C LEU A 54 1.255 -0.246 -2.991 1.00 0.00 C ATOM 836 O LEU A 54 0.118 -0.630 -3.271 1.00 0.00 O ATOM 837 CB LEU A 54 2.046 -0.162 -0.611 1.00 0.00 C ATOM 838 CG LEU A 54 2.153 -1.017 0.657 1.00 0.00 C ATOM 839 CD1 LEU A 54 0.830 -1.025 1.407 1.00 0.00 C ATOM 840 CD2 LEU A 54 2.582 -2.448 0.321 1.00 0.00 C ATOM 0 H LEU A 54 4.134 -0.686 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 54 1.574 -1.916 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.873 0.548 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.126 0.421 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 54 2.916 -0.575 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.924 -1.637 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.565 -0.006 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.051 -1.438 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.650 -3.032 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.847 -2.901 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.555 -2.430 -0.171 1.00 0.00 H new ATOM 852 N SER A 55 1.839 0.775 -3.603 1.00 0.00 N ATOM 853 CA SER A 55 1.153 1.512 -4.657 1.00 0.00 C ATOM 854 C SER A 55 1.066 0.676 -5.934 1.00 0.00 C ATOM 855 O SER A 55 1.474 1.118 -7.007 1.00 0.00 O ATOM 856 CB SER A 55 1.870 2.830 -4.932 1.00 0.00 C ATOM 857 OG SER A 55 3.000 2.636 -5.765 1.00 0.00 O ATOM 0 H SER A 55 2.779 1.110 -3.391 1.00 0.00 H new ATOM 0 HA SER A 55 0.139 1.728 -4.321 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.181 3.529 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.183 3.280 -3.990 1.00 0.00 H new ATOM 0 HG SER A 55 2.709 2.299 -6.638 1.00 0.00 H new ATOM 863 N ARG A 56 0.526 -0.537 -5.794 1.00 0.00 N ATOM 864 CA ARG A 56 0.362 -1.476 -6.900 1.00 0.00 C ATOM 865 C ARG A 56 0.227 -2.891 -6.355 1.00 0.00 C ATOM 866 O ARG A 56 -0.549 -3.692 -6.861 1.00 0.00 O ATOM 867 CB ARG A 56 1.547 -1.415 -7.863 1.00 0.00 C ATOM 868 CG ARG A 56 2.896 -1.562 -7.178 1.00 0.00 C ATOM 869 CD ARG A 56 4.022 -1.724 -8.186 1.00 0.00 C ATOM 870 NE ARG A 56 4.539 -3.092 -8.220 1.00 0.00 N ATOM 871 CZ ARG A 56 4.079 -4.045 -9.030 1.00 0.00 C ATOM 872 NH1 ARG A 56 3.088 -3.793 -9.876 1.00 0.00 N ATOM 873 NH2 ARG A 56 4.614 -5.258 -8.993 1.00 0.00 N ATOM 0 H ARG A 56 0.188 -0.896 -4.901 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.539 -1.198 -7.447 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.440 -2.203 -8.608 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.522 -0.465 -8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.086 -0.687 -6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.875 -2.426 -6.514 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.663 -1.448 -9.177 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.831 -1.037 -7.938 1.00 0.00 H new ATOM 0 HE ARG A 56 5.299 -3.332 -7.584 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.671 -2.863 -9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.743 -4.530 -10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.376 -5.460 -8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.264 -5.989 -9.612 1.00 0.00 H new ATOM 887 N GLY A 57 1.002 -3.182 -5.317 1.00 0.00 N ATOM 888 CA GLY A 57 0.987 -4.495 -4.697 1.00 0.00 C ATOM 889 C GLY A 57 -0.343 -4.846 -4.065 1.00 0.00 C ATOM 890 O GLY A 57 -0.788 -5.992 -4.136 1.00 0.00 O ATOM 0 H GLY A 57 1.650 -2.521 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.234 -5.246 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.765 -4.538 -3.935 1.00 0.00 H new ATOM 894 N ILE A 58 -0.962 -3.867 -3.419 1.00 0.00 N ATOM 895 CA ILE A 58 -2.224 -4.078 -2.738 1.00 0.00 C ATOM 896 C ILE A 58 -3.304 -4.659 -3.654 1.00 0.00 C ATOM 897 O ILE A 58 -4.286 -5.227 -3.175 1.00 0.00 O ATOM 898 CB ILE A 58 -2.723 -2.765 -2.095 1.00 0.00 C ATOM 899 CG1 ILE A 58 -3.376 -1.847 -3.135 1.00 0.00 C ATOM 900 CG2 ILE A 58 -1.583 -2.040 -1.385 1.00 0.00 C ATOM 901 CD1 ILE A 58 -4.825 -1.535 -2.831 1.00 0.00 C ATOM 0 H ILE A 58 -0.604 -2.914 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.035 -4.815 -1.958 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.480 -3.028 -1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.814 -0.914 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.311 -2.317 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.959 -1.119 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.176 -2.681 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.799 -1.802 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.227 -0.881 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.399 -2.461 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.895 -1.037 -1.864 1.00 0.00 H new ATOM 1109 N PRO A 70 -12.491 -5.505 -1.026 1.00 0.00 N ATOM 1110 CA PRO A 70 -13.007 -4.683 0.068 1.00 0.00 C ATOM 1111 C PRO A 70 -12.615 -3.216 -0.091 1.00 0.00 C ATOM 1112 O PRO A 70 -11.593 -2.903 -0.701 1.00 0.00 O ATOM 1113 CB PRO A 70 -12.348 -5.269 1.329 1.00 0.00 C ATOM 1114 CG PRO A 70 -11.606 -6.490 0.886 1.00 0.00 C ATOM 1115 CD PRO A 70 -11.367 -6.343 -0.589 1.00 0.00 C ATOM 0 HA PRO A 70 -14.096 -4.702 0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.671 -4.547 1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.098 -5.521 2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.662 -6.584 1.423 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -12.183 -7.390 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.407 -5.870 -0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -11.363 -7.308 -1.095 1.00 0.00 H new ATOM 1123 N SER A 71 -13.423 -2.319 0.468 1.00 0.00 N ATOM 1124 CA SER A 71 -13.142 -0.887 0.390 1.00 0.00 C ATOM 1125 C SER A 71 -11.725 -0.597 0.873 1.00 0.00 C ATOM 1126 O SER A 71 -11.017 0.235 0.300 1.00 0.00 O ATOM 1127 CB SER A 71 -14.151 -0.101 1.230 1.00 0.00 C ATOM 1128 OG SER A 71 -13.805 -0.131 2.604 1.00 0.00 O ATOM 0 H SER A 71 -14.274 -2.556 0.978 1.00 0.00 H new ATOM 0 HA SER A 71 -13.230 -0.574 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.190 0.932 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.148 -0.521 1.094 1.00 0.00 H new ATOM 0 HG SER A 71 -14.464 0.380 3.119 1.00 0.00 H new ATOM 1134 N SER A 72 -11.313 -1.298 1.928 1.00 0.00 N ATOM 1135 CA SER A 72 -9.976 -1.133 2.492 1.00 0.00 C ATOM 1136 C SER A 72 -8.873 -1.552 1.512 1.00 0.00 C ATOM 1137 O SER A 72 -7.738 -1.795 1.919 1.00 0.00 O ATOM 1138 CB SER A 72 -9.848 -1.934 3.785 1.00 0.00 C ATOM 1139 OG SER A 72 -9.440 -3.265 3.520 1.00 0.00 O ATOM 0 H SER A 72 -11.889 -1.988 2.410 1.00 0.00 H new ATOM 0 HA SER A 72 -9.845 -0.071 2.700 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.126 -1.453 4.445 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.804 -1.940 4.309 1.00 0.00 H new ATOM 0 HG SER A 72 -10.224 -3.853 3.517 1.00 0.00 H new ATOM 1145 N MET A 73 -9.197 -1.618 0.226 1.00 0.00 N ATOM 1146 CA MET A 73 -8.221 -1.982 -0.792 1.00 0.00 C ATOM 1147 C MET A 73 -8.236 -0.939 -1.906 1.00 0.00 C ATOM 1148 O MET A 73 -7.815 -1.197 -3.033 1.00 0.00 O ATOM 1149 CB MET A 73 -8.521 -3.373 -1.356 1.00 0.00 C ATOM 1150 CG MET A 73 -7.317 -4.300 -1.352 1.00 0.00 C ATOM 1151 SD MET A 73 -6.604 -4.509 0.292 1.00 0.00 S ATOM 1152 CE MET A 73 -5.278 -3.306 0.249 1.00 0.00 C ATOM 0 H MET A 73 -10.130 -1.424 -0.136 1.00 0.00 H new ATOM 0 HA MET A 73 -7.230 -2.010 -0.340 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.322 -3.828 -0.773 1.00 0.00 H new ATOM 0 HB3 MET A 73 -8.888 -3.271 -2.377 1.00 0.00 H new ATOM 0 HG2 MET A 73 -7.612 -5.274 -1.742 1.00 0.00 H new ATOM 0 HG3 MET A 73 -6.557 -3.904 -2.026 1.00 0.00 H new ATOM 0 HE1 MET A 73 -4.324 -3.811 0.401 1.00 0.00 H new ATOM 0 HE2 MET A 73 -5.273 -2.804 -0.719 1.00 0.00 H new ATOM 0 HE3 MET A 73 -5.429 -2.570 1.038 1.00 0.00 H new ATOM 1162 N LEU A 74 -8.740 0.242 -1.560 1.00 0.00 N ATOM 1163 CA LEU A 74 -8.843 1.357 -2.487 1.00 0.00 C ATOM 1164 C LEU A 74 -8.530 2.658 -1.764 1.00 0.00 C ATOM 1165 O LEU A 74 -7.966 3.577 -2.347 1.00 0.00 O ATOM 1166 CB LEU A 74 -10.255 1.393 -3.088 1.00 0.00 C ATOM 1167 CG LEU A 74 -10.689 2.721 -3.718 1.00 0.00 C ATOM 1168 CD1 LEU A 74 -10.392 2.727 -5.210 1.00 0.00 C ATOM 1169 CD2 LEU A 74 -12.172 2.966 -3.466 1.00 0.00 C ATOM 0 H LEU A 74 -9.089 0.450 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.122 1.232 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.324 0.615 -3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.968 1.137 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 74 -10.121 3.527 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.707 3.678 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.322 2.594 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -10.934 1.914 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.466 3.913 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.754 2.156 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -12.357 3.004 -2.393 1.00 0.00 H new ATOM 1181 N THR A 75 -8.892 2.721 -0.489 1.00 0.00 N ATOM 1182 CA THR A 75 -8.644 3.901 0.316 1.00 0.00 C ATOM 1183 C THR A 75 -7.182 3.957 0.740 1.00 0.00 C ATOM 1184 O THR A 75 -6.635 5.027 0.986 1.00 0.00 O ATOM 1185 CB THR A 75 -9.570 3.891 1.539 1.00 0.00 C ATOM 1186 OG1 THR A 75 -10.362 5.065 1.579 1.00 0.00 O ATOM 1187 CG2 THR A 75 -8.852 3.778 2.871 1.00 0.00 C ATOM 0 H THR A 75 -9.360 1.963 0.008 1.00 0.00 H new ATOM 0 HA THR A 75 -8.854 4.792 -0.276 1.00 0.00 H new ATOM 0 HB THR A 75 -10.179 2.996 1.411 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.947 5.039 2.365 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.583 3.778 3.680 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.281 2.850 2.899 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.176 4.624 2.993 1.00 0.00 H new ATOM 1195 N ILE A 76 -6.555 2.795 0.824 1.00 0.00 N ATOM 1196 CA ILE A 76 -5.156 2.721 1.212 1.00 0.00 C ATOM 1197 C ILE A 76 -4.265 3.087 0.032 1.00 0.00 C ATOM 1198 O ILE A 76 -3.513 4.059 0.096 1.00 0.00 O ATOM 1199 CB ILE A 76 -4.799 1.313 1.744 1.00 0.00 C ATOM 1200 CG1 ILE A 76 -5.354 1.132 3.159 1.00 0.00 C ATOM 1201 CG2 ILE A 76 -3.293 1.079 1.721 1.00 0.00 C ATOM 1202 CD1 ILE A 76 -6.616 0.297 3.208 1.00 0.00 C ATOM 0 H ILE A 76 -6.991 1.893 0.630 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.987 3.436 2.017 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.257 0.572 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -4.593 0.663 3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.559 2.112 3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.074 0.081 2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.927 1.166 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.800 1.822 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.954 0.209 4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.392 0.776 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.411 -0.696 2.808 1.00 0.00 H new ATOM 1214 N TYR A 77 -4.369 2.326 -1.055 1.00 0.00 N ATOM 1215 CA TYR A 77 -3.584 2.606 -2.253 1.00 0.00 C ATOM 1216 C TYR A 77 -3.715 4.080 -2.611 1.00 0.00 C ATOM 1217 O TYR A 77 -2.766 4.714 -3.073 1.00 0.00 O ATOM 1218 CB TYR A 77 -4.066 1.741 -3.421 1.00 0.00 C ATOM 1219 CG TYR A 77 -3.333 2.002 -4.721 1.00 0.00 C ATOM 1220 CD1 TYR A 77 -3.468 3.213 -5.392 1.00 0.00 C ATOM 1221 CD2 TYR A 77 -2.503 1.037 -5.275 1.00 0.00 C ATOM 1222 CE1 TYR A 77 -2.794 3.454 -6.573 1.00 0.00 C ATOM 1223 CE2 TYR A 77 -1.828 1.270 -6.457 1.00 0.00 C ATOM 1224 CZ TYR A 77 -1.977 2.479 -7.101 1.00 0.00 C ATOM 1225 OH TYR A 77 -1.299 2.714 -8.275 1.00 0.00 O ATOM 0 H TYR A 77 -4.985 1.516 -1.130 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.538 2.370 -2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.950 0.690 -3.154 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.131 1.915 -3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.111 3.978 -4.982 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.383 0.088 -4.773 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.907 4.401 -7.079 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.186 0.508 -6.875 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.767 1.925 -8.509 1.00 0.00 H new ATOM 1235 N THR A 78 -4.909 4.609 -2.379 1.00 0.00 N ATOM 1236 CA THR A 78 -5.207 6.003 -2.654 1.00 0.00 C ATOM 1237 C THR A 78 -4.445 6.910 -1.702 1.00 0.00 C ATOM 1238 O THR A 78 -4.010 7.999 -2.067 1.00 0.00 O ATOM 1239 CB THR A 78 -6.714 6.235 -2.513 1.00 0.00 C ATOM 1240 OG1 THR A 78 -7.183 7.141 -3.493 1.00 0.00 O ATOM 1241 CG2 THR A 78 -7.130 6.764 -1.161 1.00 0.00 C ATOM 0 H THR A 78 -5.695 4.083 -1.996 1.00 0.00 H new ATOM 0 HA THR A 78 -4.896 6.240 -3.671 1.00 0.00 H new ATOM 0 HB THR A 78 -7.158 5.248 -2.643 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.148 7.271 -3.383 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.211 6.902 -1.141 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.840 6.053 -0.387 1.00 0.00 H new ATOM 0 HG23 THR A 78 -6.639 7.720 -0.977 1.00 0.00 H new ATOM 1249 N GLN A 79 -4.293 6.439 -0.479 1.00 0.00 N ATOM 1250 CA GLN A 79 -3.591 7.186 0.550 1.00 0.00 C ATOM 1251 C GLN A 79 -2.105 7.130 0.284 1.00 0.00 C ATOM 1252 O GLN A 79 -1.386 8.122 0.408 1.00 0.00 O ATOM 1253 CB GLN A 79 -3.903 6.620 1.936 1.00 0.00 C ATOM 1254 CG GLN A 79 -5.184 7.170 2.539 1.00 0.00 C ATOM 1255 CD GLN A 79 -5.174 8.681 2.656 1.00 0.00 C ATOM 1256 OE1 GLN A 79 -6.149 9.349 2.307 1.00 0.00 O ATOM 1257 NE2 GLN A 79 -4.071 9.231 3.148 1.00 0.00 N ATOM 0 H GLN A 79 -4.649 5.534 -0.171 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.925 8.223 0.525 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.979 5.535 1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -3.072 6.840 2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.031 6.863 1.925 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.332 6.734 3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.287 8.641 3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.008 10.244 3.249 1.00 0.00 H new ATOM 1266 N ILE A 80 -1.667 5.950 -0.112 1.00 0.00 N ATOM 1267 CA ILE A 80 -0.283 5.700 -0.444 1.00 0.00 C ATOM 1268 C ILE A 80 0.193 6.709 -1.492 1.00 0.00 C ATOM 1269 O ILE A 80 1.191 7.407 -1.299 1.00 0.00 O ATOM 1270 CB ILE A 80 -0.156 4.255 -0.968 1.00 0.00 C ATOM 1271 CG1 ILE A 80 0.231 3.311 0.167 1.00 0.00 C ATOM 1272 CG2 ILE A 80 0.818 4.148 -2.117 1.00 0.00 C ATOM 1273 CD1 ILE A 80 -0.895 2.385 0.560 1.00 0.00 C ATOM 0 H ILE A 80 -2.269 5.133 -0.212 1.00 0.00 H new ATOM 0 HA ILE A 80 0.345 5.816 0.440 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.132 3.959 -1.354 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.095 2.719 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.535 3.897 1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.873 3.112 -2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.480 4.778 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.804 4.477 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.566 1.735 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.751 2.973 0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.182 1.777 -0.298 1.00 0.00 H new ATOM 1285 N GLN A 81 -0.549 6.790 -2.592 1.00 0.00 N ATOM 1286 CA GLN A 81 -0.230 7.720 -3.664 1.00 0.00 C ATOM 1287 C GLN A 81 -0.412 9.160 -3.195 1.00 0.00 C ATOM 1288 O GLN A 81 0.212 10.079 -3.720 1.00 0.00 O ATOM 1289 CB GLN A 81 -1.123 7.450 -4.878 1.00 0.00 C ATOM 1290 CG GLN A 81 -0.799 6.149 -5.594 1.00 0.00 C ATOM 1291 CD GLN A 81 0.017 6.364 -6.853 1.00 0.00 C ATOM 1292 OE1 GLN A 81 -0.432 6.057 -7.958 1.00 0.00 O ATOM 1293 NE2 GLN A 81 1.223 6.894 -6.693 1.00 0.00 N ATOM 0 H GLN A 81 -1.377 6.220 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 81 0.812 7.575 -3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.164 7.428 -4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.025 8.277 -5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.251 5.493 -4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.727 5.639 -5.850 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.555 7.133 -5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.818 7.062 -7.504 1.00 0.00 H new ATOM 1302 N LYS A 82 -1.275 9.340 -2.203 1.00 0.00 N ATOM 1303 CA LYS A 82 -1.558 10.656 -1.645 1.00 0.00 C ATOM 1304 C LYS A 82 -0.380 11.183 -0.861 1.00 0.00 C ATOM 1305 O LYS A 82 -0.130 12.382 -0.827 1.00 0.00 O ATOM 1306 CB LYS A 82 -2.776 10.591 -0.730 1.00 0.00 C ATOM 1307 CG LYS A 82 -3.896 11.505 -1.164 1.00 0.00 C ATOM 1308 CD LYS A 82 -4.670 10.891 -2.316 1.00 0.00 C ATOM 1309 CE LYS A 82 -6.132 10.674 -1.960 1.00 0.00 C ATOM 1310 NZ LYS A 82 -6.915 10.158 -3.116 1.00 0.00 N ATOM 0 H LYS A 82 -1.796 8.581 -1.764 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.757 11.331 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.144 9.566 -0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.475 10.853 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.567 11.690 -0.325 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.489 12.470 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.601 11.541 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.217 9.938 -2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.203 9.970 -1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.566 11.614 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.895 10.499 -3.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.489 10.496 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.909 9.118 -3.103 1.00 0.00 H new ATOM 1324 N ASP A 83 0.348 10.276 -0.252 1.00 0.00 N ATOM 1325 CA ASP A 83 1.514 10.650 0.516 1.00 0.00 C ATOM 1326 C ASP A 83 2.564 11.129 -0.453 1.00 0.00 C ATOM 1327 O ASP A 83 3.262 12.112 -0.221 1.00 0.00 O ATOM 1328 CB ASP A 83 2.022 9.456 1.320 1.00 0.00 C ATOM 1329 CG ASP A 83 0.915 8.763 2.090 1.00 0.00 C ATOM 1330 OD1 ASP A 83 -0.135 9.399 2.321 1.00 0.00 O ATOM 1331 OD2 ASP A 83 1.097 7.585 2.462 1.00 0.00 O ATOM 0 H ASP A 83 0.154 9.275 -0.273 1.00 0.00 H new ATOM 0 HA ASP A 83 1.270 11.441 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.493 8.742 0.645 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.790 9.791 2.017 1.00 0.00 H new ATOM 1336 N ILE A 84 2.628 10.432 -1.572 1.00 0.00 N ATOM 1337 CA ILE A 84 3.543 10.769 -2.631 1.00 0.00 C ATOM 1338 C ILE A 84 3.119 12.085 -3.282 1.00 0.00 C ATOM 1339 O ILE A 84 3.857 13.070 -3.263 1.00 0.00 O ATOM 1340 CB ILE A 84 3.564 9.645 -3.685 1.00 0.00 C ATOM 1341 CG1 ILE A 84 4.711 8.691 -3.416 1.00 0.00 C ATOM 1342 CG2 ILE A 84 3.669 10.219 -5.072 1.00 0.00 C ATOM 1343 CD1 ILE A 84 4.559 7.951 -2.120 1.00 0.00 C ATOM 0 H ILE A 84 2.045 9.618 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 84 4.544 10.883 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 84 2.628 9.091 -3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.780 7.973 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.647 9.250 -3.403 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.682 9.409 -5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.813 10.866 -5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.588 10.799 -5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.409 7.283 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.519 8.664 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.639 7.368 -2.140 1.00 0.00 H new ATOM 1355 N LYS A 85 1.920 12.080 -3.862 1.00 0.00 N ATOM 1356 CA LYS A 85 1.379 13.254 -4.527 1.00 0.00 C ATOM 1357 C LYS A 85 1.366 14.454 -3.601 1.00 0.00 C ATOM 1358 O LYS A 85 1.494 15.597 -4.042 1.00 0.00 O ATOM 1359 CB LYS A 85 -0.042 12.976 -5.014 1.00 0.00 C ATOM 1360 CG LYS A 85 -0.219 13.193 -6.505 1.00 0.00 C ATOM 1361 CD LYS A 85 0.764 12.350 -7.297 1.00 0.00 C ATOM 1362 CE LYS A 85 0.668 10.885 -6.917 1.00 0.00 C ATOM 1363 NZ LYS A 85 1.604 10.040 -7.707 1.00 0.00 N ATOM 0 H LYS A 85 1.304 11.267 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 85 2.022 13.479 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.308 11.947 -4.770 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.736 13.621 -4.475 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.238 12.938 -6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.074 14.247 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.568 12.465 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.778 12.708 -7.119 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.886 10.771 -5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.353 10.537 -7.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.986 9.286 -7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.096 9.616 -8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.385 10.627 -8.063 1.00 0.00 H new ATOM 1377 N ASN A 86 1.194 14.189 -2.319 1.00 0.00 N ATOM 1378 CA ASN A 86 1.143 15.261 -1.335 1.00 0.00 C ATOM 1379 C ASN A 86 2.539 15.708 -0.914 1.00 0.00 C ATOM 1380 O ASN A 86 2.702 16.774 -0.321 1.00 0.00 O ATOM 1381 CB ASN A 86 0.337 14.838 -0.106 1.00 0.00 C ATOM 1382 CG ASN A 86 0.142 15.975 0.878 1.00 0.00 C ATOM 1383 OD1 ASN A 86 0.418 17.134 0.568 1.00 0.00 O ATOM 1384 ND2 ASN A 86 -0.339 15.650 2.073 1.00 0.00 N ATOM 0 H ASN A 86 1.088 13.250 -1.934 1.00 0.00 H new ATOM 0 HA ASN A 86 0.645 16.107 -1.810 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -0.637 14.466 -0.424 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.846 14.013 0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.493 16.374 2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -0.554 14.677 2.289 1.00 0.00 H new ATOM 1391 N GLY A 87 3.544 14.893 -1.210 1.00 0.00 N ATOM 1392 CA GLY A 87 4.900 15.239 -0.836 1.00 0.00 C ATOM 1393 C GLY A 87 5.187 14.887 0.605 1.00 0.00 C ATOM 1394 O GLY A 87 5.908 15.600 1.301 1.00 0.00 O ATOM 0 H GLY A 87 3.445 14.004 -1.700 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.602 14.716 -1.486 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.059 16.306 -0.989 1.00 0.00 H new ATOM 1398 N ASN A 88 4.639 13.762 1.038 1.00 0.00 N ATOM 1399 CA ASN A 88 4.845 13.273 2.381 1.00 0.00 C ATOM 1400 C ASN A 88 5.916 12.201 2.335 1.00 0.00 C ATOM 1401 O ASN A 88 6.608 11.934 3.317 1.00 0.00 O ATOM 1402 CB ASN A 88 3.546 12.716 2.964 1.00 0.00 C ATOM 1403 CG ASN A 88 2.514 13.798 3.215 1.00 0.00 C ATOM 1404 OD1 ASN A 88 1.536 13.920 2.479 1.00 0.00 O ATOM 1405 ND2 ASN A 88 2.726 14.587 4.261 1.00 0.00 N ATOM 0 H ASN A 88 4.041 13.167 0.465 1.00 0.00 H new ATOM 0 HA ASN A 88 5.164 14.091 3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.132 11.975 2.280 1.00 0.00 H new ATOM 0 HB3 ASN A 88 3.763 12.200 3.900 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.064 15.331 4.481 1.00 0.00 H new ATOM 0 HD22 ASN A 88 3.551 14.450 4.845 1.00 0.00 H new ATOM 1412 N ILE A 89 6.043 11.609 1.152 1.00 0.00 N ATOM 1413 CA ILE A 89 7.000 10.589 0.879 1.00 0.00 C ATOM 1414 C ILE A 89 8.097 11.176 0.022 1.00 0.00 C ATOM 1415 O ILE A 89 7.906 12.215 -0.611 1.00 0.00 O ATOM 1416 CB ILE A 89 6.315 9.474 0.095 1.00 0.00 C ATOM 1417 CG1 ILE A 89 5.062 8.975 0.818 1.00 0.00 C ATOM 1418 CG2 ILE A 89 7.282 8.363 -0.141 1.00 0.00 C ATOM 1419 CD1 ILE A 89 5.172 8.961 2.330 1.00 0.00 C ATOM 0 H ILE A 89 5.460 11.844 0.349 1.00 0.00 H new ATOM 0 HA ILE A 89 7.413 10.199 1.809 1.00 0.00 H new ATOM 0 HB ILE A 89 5.991 9.869 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.219 9.605 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.837 7.966 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.792 7.567 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.133 8.736 -0.710 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.629 7.973 0.816 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.240 8.594 2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.991 8.308 2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.364 9.972 2.690 1.00 0.00 H new ATOM 1431 N ASP A 90 9.229 10.510 -0.033 1.00 0.00 N ATOM 1432 CA ASP A 90 10.312 10.980 -0.855 1.00 0.00 C ATOM 1433 C ASP A 90 10.374 10.099 -2.069 1.00 0.00 C ATOM 1434 O ASP A 90 11.228 9.221 -2.184 1.00 0.00 O ATOM 1435 CB ASP A 90 11.633 10.968 -0.090 1.00 0.00 C ATOM 1436 CG ASP A 90 11.663 11.995 1.025 1.00 0.00 C ATOM 1437 OD1 ASP A 90 10.576 12.431 1.460 1.00 0.00 O ATOM 1438 OD2 ASP A 90 12.773 12.363 1.464 1.00 0.00 O ATOM 0 H ASP A 90 9.419 9.648 0.479 1.00 0.00 H new ATOM 0 HA ASP A 90 10.139 12.015 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.798 9.975 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.452 11.162 -0.782 1.00 0.00 H new ATOM 1443 N THR A 91 9.425 10.322 -2.962 1.00 0.00 N ATOM 1444 CA THR A 91 9.318 9.535 -4.164 1.00 0.00 C ATOM 1445 C THR A 91 10.635 9.463 -4.918 1.00 0.00 C ATOM 1446 O THR A 91 10.814 8.595 -5.768 1.00 0.00 O ATOM 1447 CB THR A 91 8.191 10.050 -5.047 1.00 0.00 C ATOM 1448 OG1 THR A 91 7.579 11.195 -4.483 1.00 0.00 O ATOM 1449 CG2 THR A 91 7.123 9.017 -5.270 1.00 0.00 C ATOM 0 H THR A 91 8.716 11.049 -2.870 1.00 0.00 H new ATOM 0 HA THR A 91 9.074 8.515 -3.869 1.00 0.00 H new ATOM 0 HB THR A 91 8.654 10.300 -6.002 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.860 11.505 -5.072 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.342 9.433 -5.906 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.558 8.143 -5.754 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.694 8.725 -4.312 1.00 0.00 H new ATOM 1457 N GLU A 92 11.579 10.332 -4.571 1.00 0.00 N ATOM 1458 CA GLU A 92 12.883 10.289 -5.190 1.00 0.00 C ATOM 1459 C GLU A 92 13.539 8.995 -4.760 1.00 0.00 C ATOM 1460 O GLU A 92 14.116 8.268 -5.566 1.00 0.00 O ATOM 1461 CB GLU A 92 13.720 11.501 -4.782 1.00 0.00 C ATOM 1462 CG GLU A 92 12.904 12.781 -4.669 1.00 0.00 C ATOM 1463 CD GLU A 92 13.521 13.938 -5.430 1.00 0.00 C ATOM 1464 OE1 GLU A 92 14.162 13.689 -6.472 1.00 0.00 O ATOM 1465 OE2 GLU A 92 13.363 15.094 -4.983 1.00 0.00 O ATOM 0 H GLU A 92 11.460 11.064 -3.871 1.00 0.00 H new ATOM 0 HA GLU A 92 12.796 10.325 -6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.200 11.298 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.516 11.648 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.897 12.600 -5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.807 13.053 -3.618 1.00 0.00 H new ATOM 1472 N LYS A 93 13.377 8.690 -3.477 1.00 0.00 N ATOM 1473 CA LYS A 93 13.881 7.456 -2.917 1.00 0.00 C ATOM 1474 C LYS A 93 13.159 6.301 -3.569 1.00 0.00 C ATOM 1475 O LYS A 93 13.775 5.411 -4.154 1.00 0.00 O ATOM 1476 CB LYS A 93 13.687 7.435 -1.404 1.00 0.00 C ATOM 1477 CG LYS A 93 14.796 8.156 -0.665 1.00 0.00 C ATOM 1478 CD LYS A 93 14.266 9.051 0.442 1.00 0.00 C ATOM 1479 CE LYS A 93 13.306 8.313 1.360 1.00 0.00 C ATOM 1480 NZ LYS A 93 14.004 7.290 2.184 1.00 0.00 N ATOM 0 H LYS A 93 12.896 9.290 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 93 14.950 7.372 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.731 7.897 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.639 6.401 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.482 7.423 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.369 8.757 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.101 9.438 1.026 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.759 9.910 0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.807 9.028 2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.531 7.832 0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.347 6.515 2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.817 6.915 1.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.336 7.724 3.069 1.00 0.00 H new ATOM 1494 N LEU A 94 11.839 6.359 -3.504 1.00 0.00 N ATOM 1495 CA LEU A 94 10.997 5.367 -4.125 1.00 0.00 C ATOM 1496 C LEU A 94 11.466 5.108 -5.536 1.00 0.00 C ATOM 1497 O LEU A 94 11.627 3.968 -5.953 1.00 0.00 O ATOM 1498 CB LEU A 94 9.578 5.892 -4.153 1.00 0.00 C ATOM 1499 CG LEU A 94 8.703 5.357 -3.050 1.00 0.00 C ATOM 1500 CD1 LEU A 94 7.700 6.410 -2.603 1.00 0.00 C ATOM 1501 CD2 LEU A 94 8.005 4.087 -3.514 1.00 0.00 C ATOM 0 H LEU A 94 11.328 7.096 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 94 11.043 4.435 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.603 6.980 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.128 5.641 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 94 9.325 5.111 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.077 6.004 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.233 7.287 -2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.070 6.694 -3.446 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.374 3.705 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.390 4.308 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.751 3.337 -3.777 1.00 0.00 H new ATOM 1513 N ARG A 95 11.678 6.192 -6.266 1.00 0.00 N ATOM 1514 CA ARG A 95 12.126 6.103 -7.637 1.00 0.00 C ATOM 1515 C ARG A 95 13.404 5.307 -7.764 1.00 0.00 C ATOM 1516 O ARG A 95 13.485 4.392 -8.573 1.00 0.00 O ATOM 1517 CB ARG A 95 12.332 7.499 -8.221 1.00 0.00 C ATOM 1518 CG ARG A 95 11.661 7.680 -9.562 1.00 0.00 C ATOM 1519 CD ARG A 95 12.585 8.335 -10.579 1.00 0.00 C ATOM 1520 NE ARG A 95 13.415 9.381 -9.983 1.00 0.00 N ATOM 1521 CZ ARG A 95 13.031 10.650 -9.848 1.00 0.00 C ATOM 1522 NH1 ARG A 95 11.831 11.037 -10.260 1.00 0.00 N ATOM 1523 NH2 ARG A 95 13.853 11.533 -9.298 1.00 0.00 N ATOM 0 H ARG A 95 11.545 7.144 -5.926 1.00 0.00 H new ATOM 0 HA ARG A 95 11.348 5.583 -8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.943 8.240 -7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.400 7.689 -8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.337 6.710 -9.939 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.766 8.290 -9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 95 13.227 7.575 -11.025 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.989 8.763 -11.385 1.00 0.00 H new ATOM 0 HE ARG A 95 14.344 9.124 -9.650 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.195 10.362 -10.684 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.544 12.010 -10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.777 11.240 -8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.562 12.505 -9.193 1.00 0.00 H new ATOM 1537 N LYS A 96 14.397 5.664 -6.969 1.00 0.00 N ATOM 1538 CA LYS A 96 15.685 4.982 -7.018 1.00 0.00 C ATOM 1539 C LYS A 96 15.518 3.501 -6.746 1.00 0.00 C ATOM 1540 O LYS A 96 15.946 2.658 -7.535 1.00 0.00 O ATOM 1541 CB LYS A 96 16.669 5.591 -6.012 1.00 0.00 C ATOM 1542 CG LYS A 96 16.947 7.071 -6.227 1.00 0.00 C ATOM 1543 CD LYS A 96 17.154 7.399 -7.695 1.00 0.00 C ATOM 1544 CE LYS A 96 18.440 6.786 -8.226 1.00 0.00 C ATOM 1545 NZ LYS A 96 19.645 7.386 -7.591 1.00 0.00 N ATOM 0 H LYS A 96 14.341 6.418 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 96 16.091 5.112 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.276 5.450 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.611 5.045 -6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.115 7.657 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.833 7.360 -5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 96 16.307 7.030 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 96 17.184 8.481 -7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.431 5.711 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 96 18.490 6.927 -9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 20.489 7.137 -8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 19.543 8.421 -7.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 19.746 7.020 -6.623 1.00 0.00 H new ATOM 1559 N TYR A 97 14.883 3.193 -5.632 1.00 0.00 N ATOM 1560 CA TYR A 97 14.647 1.815 -5.262 1.00 0.00 C ATOM 1561 C TYR A 97 13.714 1.155 -6.277 1.00 0.00 C ATOM 1562 O TYR A 97 13.856 -0.024 -6.588 1.00 0.00 O ATOM 1563 CB TYR A 97 14.077 1.747 -3.840 1.00 0.00 C ATOM 1564 CG TYR A 97 13.204 0.559 -3.598 1.00 0.00 C ATOM 1565 CD1 TYR A 97 13.760 -0.704 -3.502 1.00 0.00 C ATOM 1566 CD2 TYR A 97 11.828 0.693 -3.503 1.00 0.00 C ATOM 1567 CE1 TYR A 97 12.973 -1.811 -3.304 1.00 0.00 C ATOM 1568 CE2 TYR A 97 11.034 -0.416 -3.317 1.00 0.00 C ATOM 1569 CZ TYR A 97 11.608 -1.664 -3.214 1.00 0.00 C ATOM 1570 OH TYR A 97 10.812 -2.771 -3.030 1.00 0.00 O ATOM 0 H TYR A 97 14.522 3.879 -4.969 1.00 0.00 H new ATOM 0 HA TYR A 97 15.589 1.267 -5.271 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.902 1.731 -3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.504 2.653 -3.644 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.831 -0.821 -3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 97 11.377 1.672 -3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 97 13.422 -2.790 -3.220 1.00 0.00 H new ATOM 0 HE2 TYR A 97 9.961 -0.308 -3.252 1.00 0.00 H new ATOM 0 HH TYR A 97 11.308 -3.451 -2.528 1.00 0.00 H new ATOM 1580 N GLU A 98 12.781 1.937 -6.808 1.00 0.00 N ATOM 1581 CA GLU A 98 11.842 1.452 -7.807 1.00 0.00 C ATOM 1582 C GLU A 98 12.587 1.115 -9.087 1.00 0.00 C ATOM 1583 O GLU A 98 12.201 0.205 -9.819 1.00 0.00 O ATOM 1584 CB GLU A 98 10.764 2.504 -8.085 1.00 0.00 C ATOM 1585 CG GLU A 98 9.648 2.524 -7.050 1.00 0.00 C ATOM 1586 CD GLU A 98 8.890 3.836 -7.029 1.00 0.00 C ATOM 1587 OE1 GLU A 98 9.429 4.844 -7.530 1.00 0.00 O ATOM 1588 OE2 GLU A 98 7.754 3.855 -6.510 1.00 0.00 O ATOM 0 H GLU A 98 12.656 2.918 -6.559 1.00 0.00 H new ATOM 0 HA GLU A 98 11.355 0.553 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.230 3.488 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.332 2.318 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.952 1.711 -7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.071 2.338 -6.063 1.00 0.00 H new ATOM 1595 N ILE A 99 13.676 1.842 -9.349 1.00 0.00 N ATOM 1596 CA ILE A 99 14.476 1.587 -10.537 1.00 0.00 C ATOM 1597 C ILE A 99 15.004 0.174 -10.494 1.00 0.00 C ATOM 1598 O ILE A 99 14.859 -0.603 -11.438 1.00 0.00 O ATOM 1599 CB ILE A 99 15.692 2.530 -10.659 1.00 0.00 C ATOM 1600 CG1 ILE A 99 15.296 3.978 -10.425 1.00 0.00 C ATOM 1601 CG2 ILE A 99 16.349 2.369 -12.021 1.00 0.00 C ATOM 1602 CD1 ILE A 99 14.063 4.410 -11.191 1.00 0.00 C ATOM 0 H ILE A 99 14.016 2.602 -8.759 1.00 0.00 H new ATOM 0 HA ILE A 99 13.820 1.755 -11.392 1.00 0.00 H new ATOM 0 HB ILE A 99 16.410 2.255 -9.887 1.00 0.00 H new ATOM 0 HG12 ILE A 99 15.121 4.129 -9.360 1.00 0.00 H new ATOM 0 HG13 ILE A 99 16.130 4.622 -10.705 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.205 3.040 -12.094 1.00 0.00 H new ATOM 0 HG22 ILE A 99 16.684 1.339 -12.144 1.00 0.00 H new ATOM 0 HG23 ILE A 99 15.630 2.613 -12.803 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.846 5.455 -10.971 1.00 0.00 H new ATOM 0 HD12 ILE A 99 14.240 4.294 -12.260 1.00 0.00 H new ATOM 0 HD13 ILE A 99 13.215 3.793 -10.894 1.00 0.00 H new ATOM 1614 N ALA A 100 15.619 -0.135 -9.369 1.00 0.00 N ATOM 1615 CA ALA A 100 16.196 -1.450 -9.140 1.00 0.00 C ATOM 1616 C ALA A 100 15.129 -2.517 -8.958 1.00 0.00 C ATOM 1617 O ALA A 100 15.440 -3.696 -8.784 1.00 0.00 O ATOM 1618 CB ALA A 100 17.114 -1.404 -7.930 1.00 0.00 C ATOM 0 H ALA A 100 15.734 0.513 -8.590 1.00 0.00 H new ATOM 0 HA ALA A 100 16.773 -1.721 -10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 100 17.544 -2.391 -7.762 1.00 0.00 H new ATOM 0 HB2 ALA A 100 17.914 -0.685 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 100 16.543 -1.103 -7.052 1.00 0.00 H new ATOM 1624 N LYS A 101 13.877 -2.100 -8.981 1.00 0.00 N ATOM 1625 CA LYS A 101 12.770 -3.002 -8.801 1.00 0.00 C ATOM 1626 C LYS A 101 11.989 -3.216 -10.094 1.00 0.00 C ATOM 1627 O LYS A 101 11.674 -4.346 -10.466 1.00 0.00 O ATOM 1628 CB LYS A 101 11.874 -2.432 -7.724 1.00 0.00 C ATOM 1629 CG LYS A 101 12.548 -2.360 -6.367 1.00 0.00 C ATOM 1630 CD LYS A 101 12.477 -3.684 -5.639 1.00 0.00 C ATOM 1631 CE LYS A 101 13.752 -4.490 -5.822 1.00 0.00 C ATOM 1632 NZ LYS A 101 14.758 -4.185 -4.767 1.00 0.00 N ATOM 0 H LYS A 101 13.606 -1.127 -9.125 1.00 0.00 H new ATOM 0 HA LYS A 101 13.150 -3.980 -8.506 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.554 -1.432 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.976 -3.044 -7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 101 13.591 -2.069 -6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.072 -1.587 -5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.306 -3.508 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.627 -4.258 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.515 -5.554 -5.801 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.178 -4.278 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.710 -4.409 -5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.708 -3.176 -4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.559 -4.757 -3.922 1.00 0.00 H new ATOM 1646 N GLY A 102 11.674 -2.119 -10.761 1.00 0.00 N ATOM 1647 CA GLY A 102 10.918 -2.182 -12.002 1.00 0.00 C ATOM 1648 C GLY A 102 9.449 -2.477 -11.759 1.00 0.00 C ATOM 1649 O GLY A 102 8.835 -3.260 -12.483 1.00 0.00 O ATOM 0 H GLY A 102 11.929 -1.176 -10.466 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.014 -1.235 -12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.341 -2.953 -12.645 1.00 0.00 H new ATOM 1653 N LEU A 103 8.897 -1.857 -10.721 1.00 0.00 N ATOM 1654 CA LEU A 103 7.495 -2.058 -10.353 1.00 0.00 C ATOM 1655 C LEU A 103 6.643 -0.825 -10.659 1.00 0.00 C ATOM 1656 O LEU A 103 5.744 -0.477 -9.894 1.00 0.00 O ATOM 1657 CB LEU A 103 7.387 -2.413 -8.866 1.00 0.00 C ATOM 1658 CG LEU A 103 8.613 -2.065 -8.029 1.00 0.00 C ATOM 1659 CD1 LEU A 103 8.814 -0.561 -7.988 1.00 0.00 C ATOM 1660 CD2 LEU A 103 8.482 -2.632 -6.624 1.00 0.00 C ATOM 0 H LEU A 103 9.400 -1.208 -10.116 1.00 0.00 H new ATOM 0 HA LEU A 103 7.112 -2.883 -10.954 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.522 -1.899 -8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.196 -3.482 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 103 9.490 -2.516 -8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.693 -0.328 -7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 103 8.957 -0.185 -9.001 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.937 -0.089 -7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 103 9.367 -2.373 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.597 -2.214 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.388 -3.717 -6.677 1.00 0.00 H new