USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 867 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 76 CYS SG : rot 147:sc= 0.577 USER MOD Set 1.2: A 79 CYS SG : rot -163:sc= 1.24 USER MOD Set 1.3: A 93 CYS SG : rot -128:sc= 1.69 USER MOD Set 1.4: A 96 CYS SG : rot -100:sc= 1.12 USER MOD Set 1.5: A 100 ASN : amide:sc= 0.514 K(o=5.1,f=2.4) USER MOD Set 2.1: A 80 SER OG : rot 180:sc=-0.00727 USER MOD Set 2.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 39 SER OG : rot -30:sc= 0.0069 USER MOD Set 3.2: A 41 MET CE :methyl -162:sc= -0.171 (180deg=-0.0946) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 82:sc= 0.179 USER MOD Single : A 19 HIS : no HD1:sc=-0.00294 X(o=-0.0029,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0256 K(o=-0.026,f=-2.2!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 HIS : no HE2:sc= 0.058 X(o=0.058,f=-0.33) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.16) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -82:sc= 0.921 USER MOD Single : A 52 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 46:sc= -0.0651 USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.179) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -0.0521 X(o=-0.052,f=-0.54) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0.706 K(o=0.71,f=0) USER MOD Single : A 97 HIS :FLIP no HD1:sc= 0.234 F(o=-1.6!,f=0.23) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 91:sc= 1.18 USER MOD Single : A 105 GLN : amide:sc= 1.85 K(o=1.9,f=0) USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 109 MET CE :methyl -172:sc= -0.321 (180deg=-0.45) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 38 N HIS A 4 -15.613 7.691 -3.331 1.00 0.00 N ATOM 39 CA HIS A 4 -14.387 7.440 -2.553 1.00 0.00 C ATOM 40 C HIS A 4 -13.098 7.447 -3.400 1.00 0.00 C ATOM 41 O HIS A 4 -12.004 7.522 -2.844 1.00 0.00 O ATOM 42 CB HIS A 4 -14.537 6.112 -1.791 1.00 0.00 C ATOM 43 CG HIS A 4 -15.644 6.131 -0.765 1.00 0.00 C ATOM 44 ND1 HIS A 4 -15.545 6.615 0.523 1.00 0.00 N ATOM 45 CD2 HIS A 4 -16.925 5.678 -0.940 1.00 0.00 C ATOM 46 CE1 HIS A 4 -16.742 6.459 1.116 1.00 0.00 C ATOM 47 NE2 HIS A 4 -17.614 5.892 0.261 1.00 0.00 N ATOM 0 HA HIS A 4 -14.274 8.268 -1.853 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.728 5.311 -2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.595 5.878 -1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -17.330 5.237 -1.839 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -16.971 6.747 2.131 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -18.589 5.662 0.451 1.00 0.00 H new ATOM 55 N GLU A 5 -13.197 7.414 -4.735 1.00 0.00 N ATOM 56 CA GLU A 5 -12.051 7.329 -5.659 1.00 0.00 C ATOM 57 C GLU A 5 -11.050 8.487 -5.472 1.00 0.00 C ATOM 58 O GLU A 5 -9.838 8.275 -5.414 1.00 0.00 O ATOM 59 CB GLU A 5 -12.585 7.292 -7.104 1.00 0.00 C ATOM 60 CG GLU A 5 -11.546 6.852 -8.146 1.00 0.00 C ATOM 61 CD GLU A 5 -11.174 5.364 -7.984 1.00 0.00 C ATOM 62 OE1 GLU A 5 -11.994 4.489 -8.353 1.00 0.00 O ATOM 63 OE2 GLU A 5 -10.067 5.062 -7.480 1.00 0.00 O ATOM 0 H GLU A 5 -14.095 7.446 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.499 6.416 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.437 6.614 -7.148 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.953 8.283 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.940 7.022 -9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.650 7.464 -8.048 1.00 0.00 H new ATOM 70 N TYR A 6 -11.560 9.714 -5.320 1.00 0.00 N ATOM 71 CA TYR A 6 -10.760 10.926 -5.107 1.00 0.00 C ATOM 72 C TYR A 6 -10.403 11.197 -3.633 1.00 0.00 C ATOM 73 O TYR A 6 -9.684 12.156 -3.347 1.00 0.00 O ATOM 74 CB TYR A 6 -11.487 12.121 -5.740 1.00 0.00 C ATOM 75 CG TYR A 6 -11.749 11.958 -7.228 1.00 0.00 C ATOM 76 CD1 TYR A 6 -10.665 11.804 -8.116 1.00 0.00 C ATOM 77 CD2 TYR A 6 -13.068 11.959 -7.725 1.00 0.00 C ATOM 78 CE1 TYR A 6 -10.893 11.659 -9.498 1.00 0.00 C ATOM 79 CE2 TYR A 6 -13.299 11.809 -9.107 1.00 0.00 C ATOM 80 CZ TYR A 6 -12.215 11.660 -9.997 1.00 0.00 C ATOM 81 OH TYR A 6 -12.450 11.525 -11.331 1.00 0.00 O ATOM 0 H TYR A 6 -12.563 9.897 -5.342 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.798 10.769 -5.595 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.437 12.270 -5.227 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -10.894 13.022 -5.581 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -9.655 11.797 -7.734 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.901 12.075 -7.047 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -10.059 11.547 -10.175 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -14.310 11.808 -9.486 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.416 11.546 -11.497 1.00 0.00 H new ATOM 91 N SER A 7 -10.860 10.360 -2.691 1.00 0.00 N ATOM 92 CA SER A 7 -10.524 10.480 -1.265 1.00 0.00 C ATOM 93 C SER A 7 -9.020 10.298 -1.034 1.00 0.00 C ATOM 94 O SER A 7 -8.362 11.199 -0.511 1.00 0.00 O ATOM 95 CB SER A 7 -11.334 9.482 -0.429 1.00 0.00 C ATOM 96 OG SER A 7 -11.138 9.732 0.953 1.00 0.00 O ATOM 0 H SER A 7 -11.478 9.575 -2.899 1.00 0.00 H new ATOM 0 HA SER A 7 -10.789 11.486 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.393 9.565 -0.675 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.030 8.463 -0.669 1.00 0.00 H new ATOM 0 HG SER A 7 -11.661 9.091 1.479 1.00 0.00 H new ATOM 102 N VAL A 8 -8.447 9.172 -1.488 1.00 0.00 N ATOM 103 CA VAL A 8 -7.000 8.889 -1.388 1.00 0.00 C ATOM 104 C VAL A 8 -6.149 9.960 -2.082 1.00 0.00 C ATOM 105 O VAL A 8 -5.147 10.408 -1.530 1.00 0.00 O ATOM 106 CB VAL A 8 -6.668 7.465 -1.879 1.00 0.00 C ATOM 107 CG1 VAL A 8 -6.816 7.264 -3.389 1.00 0.00 C ATOM 108 CG2 VAL A 8 -5.259 7.048 -1.455 1.00 0.00 C ATOM 0 H VAL A 8 -8.976 8.425 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.736 8.931 -0.331 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.413 6.830 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.563 6.235 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.845 7.469 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.146 7.944 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.054 6.040 -1.815 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.532 7.740 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.186 7.066 -0.368 1.00 0.00 H new ATOM 118 N VAL A 9 -6.585 10.424 -3.257 1.00 0.00 N ATOM 119 CA VAL A 9 -5.976 11.491 -4.060 1.00 0.00 C ATOM 120 C VAL A 9 -5.872 12.801 -3.275 1.00 0.00 C ATOM 121 O VAL A 9 -4.767 13.248 -2.964 1.00 0.00 O ATOM 122 CB VAL A 9 -6.803 11.662 -5.343 1.00 0.00 C ATOM 123 CG1 VAL A 9 -6.381 12.876 -6.166 1.00 0.00 C ATOM 124 CG2 VAL A 9 -6.706 10.407 -6.218 1.00 0.00 C ATOM 0 H VAL A 9 -7.421 10.043 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.954 11.214 -4.319 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.832 11.820 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.002 12.943 -7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.504 13.780 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.336 12.773 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.298 10.547 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.665 10.232 -6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.086 9.548 -5.665 1.00 0.00 H new ATOM 134 N SER A 10 -7.014 13.405 -2.924 1.00 0.00 N ATOM 135 CA SER A 10 -7.089 14.633 -2.120 1.00 0.00 C ATOM 136 C SER A 10 -6.311 14.511 -0.801 1.00 0.00 C ATOM 137 O SER A 10 -5.551 15.413 -0.439 1.00 0.00 O ATOM 138 CB SER A 10 -8.564 14.962 -1.851 1.00 0.00 C ATOM 139 OG SER A 10 -8.704 16.194 -1.165 1.00 0.00 O ATOM 0 H SER A 10 -7.930 13.048 -3.196 1.00 0.00 H new ATOM 0 HA SER A 10 -6.623 15.442 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.106 15.007 -2.796 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.015 14.163 -1.262 1.00 0.00 H new ATOM 0 HG SER A 10 -9.654 16.376 -1.010 1.00 0.00 H new ATOM 145 N SER A 11 -6.443 13.367 -0.118 1.00 0.00 N ATOM 146 CA SER A 11 -5.743 13.063 1.140 1.00 0.00 C ATOM 147 C SER A 11 -4.218 13.108 0.983 1.00 0.00 C ATOM 148 O SER A 11 -3.546 13.827 1.724 1.00 0.00 O ATOM 149 CB SER A 11 -6.193 11.703 1.685 1.00 0.00 C ATOM 150 OG SER A 11 -5.593 11.447 2.944 1.00 0.00 O ATOM 0 H SER A 11 -7.052 12.610 -0.430 1.00 0.00 H new ATOM 0 HA SER A 11 -6.011 13.839 1.857 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.278 11.685 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.924 10.916 0.981 1.00 0.00 H new ATOM 0 HG SER A 11 -5.892 10.576 3.278 1.00 0.00 H new ATOM 156 N LEU A 12 -3.662 12.395 -0.005 1.00 0.00 N ATOM 157 CA LEU A 12 -2.225 12.371 -0.300 1.00 0.00 C ATOM 158 C LEU A 12 -1.679 13.759 -0.633 1.00 0.00 C ATOM 159 O LEU A 12 -0.704 14.192 -0.028 1.00 0.00 O ATOM 160 CB LEU A 12 -1.933 11.397 -1.455 1.00 0.00 C ATOM 161 CG LEU A 12 -1.886 9.924 -1.022 1.00 0.00 C ATOM 162 CD1 LEU A 12 -1.761 9.046 -2.263 1.00 0.00 C ATOM 163 CD2 LEU A 12 -0.680 9.642 -0.123 1.00 0.00 C ATOM 0 H LEU A 12 -4.210 11.807 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.717 12.028 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.698 11.517 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.980 11.663 -1.911 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.800 9.707 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.727 7.998 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.620 9.211 -2.913 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.847 9.301 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.678 8.591 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.238 9.872 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.740 10.262 0.771 1.00 0.00 H new ATOM 175 N ILE A 13 -2.309 14.466 -1.570 1.00 0.00 N ATOM 176 CA ILE A 13 -1.901 15.821 -1.984 1.00 0.00 C ATOM 177 C ILE A 13 -1.823 16.767 -0.770 1.00 0.00 C ATOM 178 O ILE A 13 -0.810 17.445 -0.581 1.00 0.00 O ATOM 179 CB ILE A 13 -2.830 16.352 -3.101 1.00 0.00 C ATOM 180 CG1 ILE A 13 -2.724 15.460 -4.361 1.00 0.00 C ATOM 181 CG2 ILE A 13 -2.479 17.806 -3.468 1.00 0.00 C ATOM 182 CD1 ILE A 13 -3.843 15.699 -5.377 1.00 0.00 C ATOM 0 H ILE A 13 -3.126 14.117 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.897 15.775 -2.405 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.852 16.324 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.763 15.639 -4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.738 14.413 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.147 18.154 -4.256 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.592 18.441 -2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.448 17.854 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.704 15.039 -6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.807 15.492 -4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.816 16.737 -5.710 1.00 0.00 H new ATOM 194 N ALA A 14 -2.850 16.774 0.089 1.00 0.00 N ATOM 195 CA ALA A 14 -2.867 17.549 1.333 1.00 0.00 C ATOM 196 C ALA A 14 -1.762 17.125 2.326 1.00 0.00 C ATOM 197 O ALA A 14 -1.050 17.974 2.865 1.00 0.00 O ATOM 198 CB ALA A 14 -4.262 17.433 1.962 1.00 0.00 C ATOM 0 H ALA A 14 -3.702 16.235 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.651 18.590 1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.292 18.005 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.007 17.826 1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.480 16.386 2.174 1.00 0.00 H new ATOM 204 N LEU A 15 -1.598 15.818 2.560 1.00 0.00 N ATOM 205 CA LEU A 15 -0.577 15.235 3.439 1.00 0.00 C ATOM 206 C LEU A 15 0.850 15.606 2.997 1.00 0.00 C ATOM 207 O LEU A 15 1.657 16.058 3.810 1.00 0.00 O ATOM 208 CB LEU A 15 -0.797 13.710 3.477 1.00 0.00 C ATOM 209 CG LEU A 15 0.169 12.930 4.387 1.00 0.00 C ATOM 210 CD1 LEU A 15 0.012 13.322 5.858 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.097 11.431 4.251 1.00 0.00 C ATOM 0 H LEU A 15 -2.193 15.112 2.127 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.681 15.645 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.818 13.515 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.709 13.321 2.463 1.00 0.00 H new ATOM 0 HG LEU A 15 1.183 13.174 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.712 12.748 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.218 14.386 5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.007 13.112 6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.588 10.880 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.124 11.216 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.056 11.127 3.216 1.00 0.00 H new ATOM 223 N CYS A 16 1.164 15.442 1.712 1.00 0.00 N ATOM 224 CA CYS A 16 2.453 15.795 1.122 1.00 0.00 C ATOM 225 C CYS A 16 2.745 17.303 1.210 1.00 0.00 C ATOM 226 O CYS A 16 3.868 17.682 1.540 1.00 0.00 O ATOM 227 CB CYS A 16 2.491 15.298 -0.328 1.00 0.00 C ATOM 228 SG CYS A 16 2.404 13.484 -0.363 1.00 0.00 S ATOM 0 H CYS A 16 0.510 15.049 1.035 1.00 0.00 H new ATOM 0 HA CYS A 16 3.241 15.306 1.694 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.658 15.721 -0.889 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.406 15.636 -0.814 1.00 0.00 H new ATOM 0 HG CYS A 16 1.166 13.107 -0.243 1.00 0.00 H new ATOM 234 N GLU A 17 1.753 18.169 0.973 1.00 0.00 N ATOM 235 CA GLU A 17 1.874 19.617 1.210 1.00 0.00 C ATOM 236 C GLU A 17 2.205 19.934 2.677 1.00 0.00 C ATOM 237 O GLU A 17 3.150 20.679 2.941 1.00 0.00 O ATOM 238 CB GLU A 17 0.606 20.336 0.712 1.00 0.00 C ATOM 239 CG GLU A 17 0.756 21.860 0.561 1.00 0.00 C ATOM 240 CD GLU A 17 0.726 22.657 1.885 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.128 22.376 2.760 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.518 23.619 2.026 1.00 0.00 O ATOM 0 H GLU A 17 0.842 17.888 0.611 1.00 0.00 H new ATOM 0 HA GLU A 17 2.718 19.997 0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.319 19.914 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.209 20.131 1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.697 22.068 0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.043 22.226 -0.083 1.00 0.00 H new ATOM 249 N GLU A 18 1.493 19.325 3.632 1.00 0.00 N ATOM 250 CA GLU A 18 1.748 19.486 5.069 1.00 0.00 C ATOM 251 C GLU A 18 3.162 19.032 5.476 1.00 0.00 C ATOM 252 O GLU A 18 3.851 19.744 6.209 1.00 0.00 O ATOM 253 CB GLU A 18 0.656 18.766 5.880 1.00 0.00 C ATOM 254 CG GLU A 18 0.750 19.082 7.379 1.00 0.00 C ATOM 255 CD GLU A 18 -0.432 18.470 8.152 1.00 0.00 C ATOM 256 OE1 GLU A 18 -1.481 19.145 8.301 1.00 0.00 O ATOM 257 OE2 GLU A 18 -0.318 17.317 8.635 1.00 0.00 O ATOM 0 H GLU A 18 0.714 18.699 3.427 1.00 0.00 H new ATOM 0 HA GLU A 18 1.705 20.551 5.298 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.325 19.061 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.743 17.690 5.730 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.688 18.694 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.764 20.162 7.526 1.00 0.00 H new ATOM 264 N HIS A 19 3.643 17.894 4.966 1.00 0.00 N ATOM 265 CA HIS A 19 5.033 17.469 5.160 1.00 0.00 C ATOM 266 C HIS A 19 6.034 18.451 4.535 1.00 0.00 C ATOM 267 O HIS A 19 7.044 18.769 5.162 1.00 0.00 O ATOM 268 CB HIS A 19 5.253 16.065 4.584 1.00 0.00 C ATOM 269 CG HIS A 19 4.626 14.953 5.386 1.00 0.00 C ATOM 270 ND1 HIS A 19 4.870 14.672 6.714 1.00 0.00 N ATOM 271 CD2 HIS A 19 3.790 13.982 4.905 1.00 0.00 C ATOM 272 CE1 HIS A 19 4.187 13.558 7.033 1.00 0.00 C ATOM 273 NE2 HIS A 19 3.520 13.099 5.960 1.00 0.00 N ATOM 0 H HIS A 19 3.085 17.246 4.411 1.00 0.00 H new ATOM 0 HA HIS A 19 5.212 17.453 6.235 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.852 16.035 3.571 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.325 15.881 4.508 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.408 13.909 3.897 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.176 13.099 8.010 1.00 0.00 H new ATOM 0 HE2 HIS A 19 2.930 12.268 5.921 1.00 0.00 H new ATOM 281 N ALA A 20 5.776 18.953 3.323 1.00 0.00 N ATOM 282 CA ALA A 20 6.703 19.838 2.619 1.00 0.00 C ATOM 283 C ALA A 20 6.909 21.175 3.343 1.00 0.00 C ATOM 284 O ALA A 20 8.050 21.613 3.481 1.00 0.00 O ATOM 285 CB ALA A 20 6.237 20.049 1.178 1.00 0.00 C ATOM 0 H ALA A 20 4.920 18.756 2.805 1.00 0.00 H new ATOM 0 HA ALA A 20 7.677 19.349 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.935 20.710 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.199 19.089 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.244 20.499 1.179 1.00 0.00 H new ATOM 291 N LYS A 21 5.849 21.814 3.858 1.00 0.00 N ATOM 292 CA LYS A 21 5.991 23.021 4.699 1.00 0.00 C ATOM 293 C LYS A 21 6.672 22.739 6.047 1.00 0.00 C ATOM 294 O LYS A 21 7.410 23.590 6.543 1.00 0.00 O ATOM 295 CB LYS A 21 4.641 23.736 4.891 1.00 0.00 C ATOM 296 CG LYS A 21 3.609 22.910 5.677 1.00 0.00 C ATOM 297 CD LYS A 21 2.304 23.664 5.965 1.00 0.00 C ATOM 298 CE LYS A 21 2.503 24.827 6.948 1.00 0.00 C ATOM 299 NZ LYS A 21 1.219 25.515 7.248 1.00 0.00 N ATOM 0 H LYS A 21 4.884 21.519 3.710 1.00 0.00 H new ATOM 0 HA LYS A 21 6.655 23.693 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.810 24.679 5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.228 23.981 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.379 22.004 5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.052 22.595 6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.896 24.048 5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.569 22.970 6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.940 24.452 7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.210 25.542 6.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.390 26.295 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.815 25.894 6.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.553 24.838 7.671 1.00 0.00 H new ATOM 313 N LYS A 22 6.472 21.544 6.624 1.00 0.00 N ATOM 314 CA LYS A 22 7.023 21.144 7.937 1.00 0.00 C ATOM 315 C LYS A 22 8.522 20.848 7.852 1.00 0.00 C ATOM 316 O LYS A 22 9.296 21.273 8.708 1.00 0.00 O ATOM 317 CB LYS A 22 6.223 19.939 8.472 1.00 0.00 C ATOM 318 CG LYS A 22 6.580 19.499 9.901 1.00 0.00 C ATOM 319 CD LYS A 22 6.252 20.562 10.961 1.00 0.00 C ATOM 320 CE LYS A 22 6.487 19.996 12.367 1.00 0.00 C ATOM 321 NZ LYS A 22 6.145 20.987 13.421 1.00 0.00 N ATOM 0 H LYS A 22 5.913 20.812 6.186 1.00 0.00 H new ATOM 0 HA LYS A 22 6.919 21.972 8.638 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.162 20.184 8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.376 19.095 7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.041 18.581 10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.644 19.265 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.874 21.444 10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.215 20.881 10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.885 19.097 12.503 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.531 19.700 12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.316 20.570 14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.737 21.834 13.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.142 21.251 13.337 1.00 0.00 H new ATOM 335 N ASN A 23 8.935 20.179 6.775 1.00 0.00 N ATOM 336 CA ASN A 23 10.337 19.954 6.398 1.00 0.00 C ATOM 337 C ASN A 23 10.999 21.204 5.775 1.00 0.00 C ATOM 338 O ASN A 23 12.211 21.225 5.569 1.00 0.00 O ATOM 339 CB ASN A 23 10.374 18.738 5.449 1.00 0.00 C ATOM 340 CG ASN A 23 11.784 18.270 5.101 1.00 0.00 C ATOM 341 OD1 ASN A 23 12.310 18.534 4.031 1.00 0.00 O ATOM 342 ND2 ASN A 23 12.440 17.545 5.981 1.00 0.00 N ATOM 0 H ASN A 23 8.280 19.762 6.114 1.00 0.00 H new ATOM 0 HA ASN A 23 10.926 19.750 7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.831 17.913 5.910 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.848 18.991 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.379 17.209 5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.010 17.319 6.878 1.00 0.00 H new ATOM 349 N GLN A 24 10.212 22.253 5.502 1.00 0.00 N ATOM 350 CA GLN A 24 10.599 23.486 4.803 1.00 0.00 C ATOM 351 C GLN A 24 11.160 23.209 3.389 1.00 0.00 C ATOM 352 O GLN A 24 11.982 23.964 2.864 1.00 0.00 O ATOM 353 CB GLN A 24 11.515 24.344 5.700 1.00 0.00 C ATOM 354 CG GLN A 24 10.849 24.744 7.030 1.00 0.00 C ATOM 355 CD GLN A 24 11.884 25.174 8.065 1.00 0.00 C ATOM 356 OE1 GLN A 24 12.264 26.334 8.170 1.00 0.00 O ATOM 357 NE2 GLN A 24 12.386 24.253 8.864 1.00 0.00 N ATOM 0 H GLN A 24 9.231 22.265 5.779 1.00 0.00 H new ATOM 0 HA GLN A 24 9.705 24.082 4.619 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.430 23.791 5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.804 25.245 5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.146 25.559 6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.273 23.904 7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.076 23.285 8.784 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.084 24.509 9.562 1.00 0.00 H new ATOM 366 N ALA A 25 10.707 22.117 2.762 1.00 0.00 N ATOM 367 CA ALA A 25 11.101 21.684 1.424 1.00 0.00 C ATOM 368 C ALA A 25 10.524 22.592 0.325 1.00 0.00 C ATOM 369 O ALA A 25 11.179 22.837 -0.688 1.00 0.00 O ATOM 370 CB ALA A 25 10.613 20.242 1.238 1.00 0.00 C ATOM 0 H ALA A 25 10.029 21.489 3.193 1.00 0.00 H new ATOM 0 HA ALA A 25 12.186 21.744 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.893 19.888 0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.071 19.603 1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.529 20.208 1.343 1.00 0.00 H new ATOM 376 N HIS A 26 9.289 23.078 0.523 1.00 0.00 N ATOM 377 CA HIS A 26 8.500 23.910 -0.402 1.00 0.00 C ATOM 378 C HIS A 26 8.300 23.327 -1.825 1.00 0.00 C ATOM 379 O HIS A 26 7.802 24.021 -2.714 1.00 0.00 O ATOM 380 CB HIS A 26 9.043 25.351 -0.390 1.00 0.00 C ATOM 381 CG HIS A 26 9.024 25.986 0.981 1.00 0.00 C ATOM 382 ND1 HIS A 26 10.076 26.039 1.872 1.00 0.00 N ATOM 383 CD2 HIS A 26 7.950 26.596 1.572 1.00 0.00 C ATOM 384 CE1 HIS A 26 9.649 26.677 2.977 1.00 0.00 C ATOM 385 NE2 HIS A 26 8.358 27.031 2.840 1.00 0.00 N ATOM 0 H HIS A 26 8.782 22.889 1.388 1.00 0.00 H new ATOM 0 HA HIS A 26 7.478 23.917 -0.023 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.065 25.350 -0.768 1.00 0.00 H new ATOM 0 HB3 HIS A 26 8.451 25.960 -1.073 1.00 0.00 H new ATOM 0 HD1 HIS A 26 11.011 25.662 1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.968 26.719 1.140 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.255 26.876 3.848 1.00 0.00 H new ATOM 393 N LYS A 27 8.649 22.049 -2.035 1.00 0.00 N ATOM 394 CA LYS A 27 8.362 21.195 -3.202 1.00 0.00 C ATOM 395 C LYS A 27 8.555 19.708 -2.856 1.00 0.00 C ATOM 396 O LYS A 27 8.957 19.376 -1.740 1.00 0.00 O ATOM 397 CB LYS A 27 9.208 21.630 -4.415 1.00 0.00 C ATOM 398 CG LYS A 27 10.716 21.394 -4.242 1.00 0.00 C ATOM 399 CD LYS A 27 11.501 21.911 -5.455 1.00 0.00 C ATOM 400 CE LYS A 27 11.568 23.445 -5.482 1.00 0.00 C ATOM 401 NZ LYS A 27 12.356 23.934 -6.643 1.00 0.00 N ATOM 0 H LYS A 27 9.186 21.540 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 27 7.315 21.321 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.865 21.089 -5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.036 22.690 -4.604 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.064 21.896 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.907 20.329 -4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.512 21.504 -5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.032 21.552 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.559 23.854 -5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.017 23.807 -4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.382 24.974 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.326 23.563 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 11.913 23.608 -7.526 1.00 0.00 H new ATOM 415 N ILE A 28 8.297 18.823 -3.817 1.00 0.00 N ATOM 416 CA ILE A 28 8.506 17.364 -3.748 1.00 0.00 C ATOM 417 C ILE A 28 9.523 16.960 -4.842 1.00 0.00 C ATOM 418 O ILE A 28 9.785 17.723 -5.770 1.00 0.00 O ATOM 419 CB ILE A 28 7.129 16.652 -3.880 1.00 0.00 C ATOM 420 CG1 ILE A 28 6.158 17.065 -2.743 1.00 0.00 C ATOM 421 CG2 ILE A 28 7.233 15.112 -3.901 1.00 0.00 C ATOM 422 CD1 ILE A 28 4.688 16.720 -3.020 1.00 0.00 C ATOM 0 H ILE A 28 7.915 19.113 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 28 8.928 17.056 -2.791 1.00 0.00 H new ATOM 0 HB ILE A 28 6.738 16.980 -4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.467 16.576 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.244 18.139 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.236 14.681 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.844 14.800 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.692 14.766 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.074 17.041 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.359 17.231 -3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.586 15.643 -3.154 1.00 0.00 H new ATOM 434 N GLU A 29 10.108 15.765 -4.749 1.00 0.00 N ATOM 435 CA GLU A 29 10.800 15.089 -5.858 1.00 0.00 C ATOM 436 C GLU A 29 9.921 13.940 -6.391 1.00 0.00 C ATOM 437 O GLU A 29 9.487 13.973 -7.545 1.00 0.00 O ATOM 438 CB GLU A 29 12.191 14.611 -5.395 1.00 0.00 C ATOM 439 CG GLU A 29 13.003 13.833 -6.443 1.00 0.00 C ATOM 440 CD GLU A 29 13.566 14.733 -7.563 1.00 0.00 C ATOM 441 OE1 GLU A 29 12.793 15.166 -8.450 1.00 0.00 O ATOM 442 OE2 GLU A 29 14.795 14.984 -7.577 1.00 0.00 O ATOM 0 H GLU A 29 10.117 15.225 -3.884 1.00 0.00 H new ATOM 0 HA GLU A 29 10.961 15.783 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.770 15.480 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 29 12.065 13.980 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.828 13.321 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.370 13.064 -6.886 1.00 0.00 H new ATOM 449 N ARG A 30 9.628 12.932 -5.552 1.00 0.00 N ATOM 450 CA ARG A 30 8.913 11.702 -5.937 1.00 0.00 C ATOM 451 C ARG A 30 8.221 11.053 -4.735 1.00 0.00 C ATOM 452 O ARG A 30 8.893 10.548 -3.836 1.00 0.00 O ATOM 453 CB ARG A 30 9.918 10.739 -6.602 1.00 0.00 C ATOM 454 CG ARG A 30 9.273 9.450 -7.138 1.00 0.00 C ATOM 455 CD ARG A 30 10.305 8.563 -7.851 1.00 0.00 C ATOM 456 NE ARG A 30 10.799 9.171 -9.105 1.00 0.00 N ATOM 457 CZ ARG A 30 11.692 8.662 -9.936 1.00 0.00 C ATOM 458 NH1 ARG A 30 12.242 7.498 -9.732 1.00 0.00 N ATOM 459 NH2 ARG A 30 12.059 9.320 -10.999 1.00 0.00 N ATOM 0 H ARG A 30 9.887 12.949 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 30 8.123 11.948 -6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.414 11.256 -7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.689 10.476 -5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.822 8.897 -6.314 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.469 9.703 -7.829 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.147 8.380 -7.183 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.857 7.594 -8.072 1.00 0.00 H new ATOM 0 HE ARG A 30 10.409 10.080 -9.355 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.986 6.950 -8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 30 12.928 7.135 -10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.656 10.236 -11.196 1.00 0.00 H new ATOM 0 HH22 ARG A 30 12.749 8.919 -11.634 1.00 0.00 H new ATOM 473 N VAL A 31 6.890 11.049 -4.701 1.00 0.00 N ATOM 474 CA VAL A 31 6.136 10.207 -3.756 1.00 0.00 C ATOM 475 C VAL A 31 6.180 8.744 -4.220 1.00 0.00 C ATOM 476 O VAL A 31 6.128 8.462 -5.420 1.00 0.00 O ATOM 477 CB VAL A 31 4.699 10.717 -3.511 1.00 0.00 C ATOM 478 CG1 VAL A 31 4.689 12.225 -3.227 1.00 0.00 C ATOM 479 CG2 VAL A 31 3.704 10.468 -4.643 1.00 0.00 C ATOM 0 H VAL A 31 6.305 11.617 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 31 6.620 10.270 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 31 4.372 10.129 -2.653 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.664 12.557 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.288 12.432 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.107 12.759 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.728 10.866 -4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.053 10.963 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.620 9.396 -4.824 1.00 0.00 H new ATOM 489 N VAL A 32 6.287 7.806 -3.282 1.00 0.00 N ATOM 490 CA VAL A 32 6.443 6.364 -3.529 1.00 0.00 C ATOM 491 C VAL A 32 5.337 5.617 -2.793 1.00 0.00 C ATOM 492 O VAL A 32 5.141 5.808 -1.590 1.00 0.00 O ATOM 493 CB VAL A 32 7.837 5.859 -3.101 1.00 0.00 C ATOM 494 CG1 VAL A 32 8.030 4.386 -3.491 1.00 0.00 C ATOM 495 CG2 VAL A 32 8.968 6.663 -3.758 1.00 0.00 C ATOM 0 H VAL A 32 6.267 8.033 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 32 6.360 6.176 -4.600 1.00 0.00 H new ATOM 0 HB VAL A 32 7.883 5.981 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.020 4.054 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.271 3.777 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.936 4.280 -4.572 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.931 6.273 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.894 6.577 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.884 7.711 -3.471 1.00 0.00 H new ATOM 505 N VAL A 33 4.587 4.792 -3.521 1.00 0.00 N ATOM 506 CA VAL A 33 3.346 4.145 -3.057 1.00 0.00 C ATOM 507 C VAL A 33 3.336 2.661 -3.434 1.00 0.00 C ATOM 508 O VAL A 33 3.777 2.295 -4.517 1.00 0.00 O ATOM 509 CB VAL A 33 2.130 4.885 -3.661 1.00 0.00 C ATOM 510 CG1 VAL A 33 0.787 4.237 -3.312 1.00 0.00 C ATOM 511 CG2 VAL A 33 2.060 6.338 -3.164 1.00 0.00 C ATOM 0 H VAL A 33 4.827 4.543 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 33 3.290 4.204 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 33 2.286 4.835 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.022 4.808 -3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.767 3.215 -3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.658 4.227 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.195 6.832 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.968 6.347 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.968 6.866 -3.455 1.00 0.00 H new ATOM 521 N GLY A 34 2.810 1.800 -2.565 1.00 0.00 N ATOM 522 CA GLY A 34 2.585 0.375 -2.812 1.00 0.00 C ATOM 523 C GLY A 34 1.103 0.065 -3.043 1.00 0.00 C ATOM 524 O GLY A 34 0.252 0.469 -2.249 1.00 0.00 O ATOM 0 H GLY A 34 2.517 2.087 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.162 0.061 -3.682 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.949 -0.203 -1.963 1.00 0.00 H new ATOM 528 N ILE A 35 0.787 -0.673 -4.110 1.00 0.00 N ATOM 529 CA ILE A 35 -0.565 -1.165 -4.430 1.00 0.00 C ATOM 530 C ILE A 35 -0.519 -2.687 -4.555 1.00 0.00 C ATOM 531 O ILE A 35 0.227 -3.228 -5.372 1.00 0.00 O ATOM 532 CB ILE A 35 -1.147 -0.497 -5.698 1.00 0.00 C ATOM 533 CG1 ILE A 35 -1.218 1.032 -5.491 1.00 0.00 C ATOM 534 CG2 ILE A 35 -2.541 -1.081 -6.009 1.00 0.00 C ATOM 535 CD1 ILE A 35 -1.909 1.799 -6.618 1.00 0.00 C ATOM 0 H ILE A 35 1.483 -0.956 -4.800 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.241 -0.892 -3.620 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.498 -0.700 -6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.743 1.234 -4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.205 1.417 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.944 -0.605 -6.903 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.457 -2.155 -6.176 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.209 -0.896 -5.168 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.911 2.864 -6.385 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.373 1.633 -7.553 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.936 1.448 -6.721 1.00 0.00 H new ATOM 547 N GLY A 36 -1.291 -3.376 -3.713 1.00 0.00 N ATOM 548 CA GLY A 36 -1.311 -4.841 -3.640 1.00 0.00 C ATOM 549 C GLY A 36 -1.768 -5.494 -4.947 1.00 0.00 C ATOM 550 O GLY A 36 -2.698 -5.017 -5.598 1.00 0.00 O ATOM 0 H GLY A 36 -1.928 -2.929 -3.054 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.313 -5.201 -3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.975 -5.151 -2.833 1.00 0.00 H new ATOM 554 N GLU A 37 -1.161 -6.623 -5.322 1.00 0.00 N ATOM 555 CA GLU A 37 -1.388 -7.298 -6.608 1.00 0.00 C ATOM 556 C GLU A 37 -2.771 -7.975 -6.715 1.00 0.00 C ATOM 557 O GLU A 37 -3.119 -8.519 -7.765 1.00 0.00 O ATOM 558 CB GLU A 37 -0.234 -8.271 -6.926 1.00 0.00 C ATOM 559 CG GLU A 37 -0.071 -9.442 -5.942 1.00 0.00 C ATOM 560 CD GLU A 37 0.906 -10.501 -6.489 1.00 0.00 C ATOM 561 OE1 GLU A 37 0.578 -11.152 -7.512 1.00 0.00 O ATOM 562 OE2 GLU A 37 1.987 -10.704 -5.887 1.00 0.00 O ATOM 0 H GLU A 37 -0.484 -7.105 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.396 -6.520 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.388 -8.677 -7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.698 -7.707 -6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.293 -9.068 -4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.042 -9.901 -5.756 1.00 0.00 H new ATOM 569 N ARG A 38 -3.568 -7.939 -5.636 1.00 0.00 N ATOM 570 CA ARG A 38 -4.977 -8.338 -5.554 1.00 0.00 C ATOM 571 C ARG A 38 -5.908 -7.222 -5.039 1.00 0.00 C ATOM 572 O ARG A 38 -7.076 -7.485 -4.756 1.00 0.00 O ATOM 573 CB ARG A 38 -5.104 -9.619 -4.703 1.00 0.00 C ATOM 574 CG ARG A 38 -4.319 -10.840 -5.214 1.00 0.00 C ATOM 575 CD ARG A 38 -4.746 -11.297 -6.617 1.00 0.00 C ATOM 576 NE ARG A 38 -3.914 -12.425 -7.083 1.00 0.00 N ATOM 577 CZ ARG A 38 -2.693 -12.346 -7.581 1.00 0.00 C ATOM 578 NH1 ARG A 38 -2.147 -11.214 -7.911 1.00 0.00 N ATOM 579 NH2 ARG A 38 -1.960 -13.407 -7.744 1.00 0.00 N ATOM 0 H ARG A 38 -3.219 -7.607 -4.737 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.313 -8.541 -6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.771 -9.394 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.158 -9.888 -4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.256 -10.600 -5.226 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.451 -11.666 -4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.794 -11.595 -6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.661 -10.465 -7.316 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.323 -13.357 -7.013 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.664 -10.343 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.201 -11.196 -8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.325 -14.324 -7.486 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.020 -13.323 -8.130 1.00 0.00 H new ATOM 593 N SER A 39 -5.425 -5.977 -4.925 1.00 0.00 N ATOM 594 CA SER A 39 -6.208 -4.821 -4.446 1.00 0.00 C ATOM 595 C SER A 39 -7.352 -4.405 -5.388 1.00 0.00 C ATOM 596 O SER A 39 -8.234 -3.645 -4.987 1.00 0.00 O ATOM 597 CB SER A 39 -5.279 -3.618 -4.247 1.00 0.00 C ATOM 598 OG SER A 39 -5.867 -2.676 -3.373 1.00 0.00 O ATOM 0 H SER A 39 -4.463 -5.737 -5.166 1.00 0.00 H new ATOM 0 HA SER A 39 -6.665 -5.137 -3.508 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.324 -3.952 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.070 -3.149 -5.209 1.00 0.00 H new ATOM 0 HG SER A 39 -6.842 -2.714 -3.459 1.00 0.00 H new ATOM 604 N ALA A 40 -7.328 -4.876 -6.642 1.00 0.00 N ATOM 605 CA ALA A 40 -8.295 -4.644 -7.721 1.00 0.00 C ATOM 606 C ALA A 40 -8.514 -3.173 -8.157 1.00 0.00 C ATOM 607 O ALA A 40 -9.298 -2.932 -9.080 1.00 0.00 O ATOM 608 CB ALA A 40 -9.603 -5.381 -7.387 1.00 0.00 C ATOM 0 H ALA A 40 -6.567 -5.480 -6.953 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.848 -5.063 -8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.328 -5.214 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.405 -6.449 -7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.004 -5.003 -6.447 1.00 0.00 H new ATOM 614 N MET A 41 -7.829 -2.190 -7.556 1.00 0.00 N ATOM 615 CA MET A 41 -7.856 -0.797 -8.024 1.00 0.00 C ATOM 616 C MET A 41 -6.974 -0.593 -9.266 1.00 0.00 C ATOM 617 O MET A 41 -5.976 -1.289 -9.471 1.00 0.00 O ATOM 618 CB MET A 41 -7.482 0.177 -6.892 1.00 0.00 C ATOM 619 CG MET A 41 -6.015 0.132 -6.442 1.00 0.00 C ATOM 620 SD MET A 41 -5.601 1.392 -5.202 1.00 0.00 S ATOM 621 CE MET A 41 -6.371 0.670 -3.729 1.00 0.00 C ATOM 0 H MET A 41 -7.243 -2.337 -6.735 1.00 0.00 H new ATOM 0 HA MET A 41 -8.880 -0.574 -8.325 1.00 0.00 H new ATOM 0 HB2 MET A 41 -7.714 1.191 -7.217 1.00 0.00 H new ATOM 0 HB3 MET A 41 -8.115 -0.034 -6.030 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.799 -0.855 -6.033 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.372 0.264 -7.312 1.00 0.00 H new ATOM 0 HE1 MET A 41 -6.492 1.440 -2.967 1.00 0.00 H new ATOM 0 HE2 MET A 41 -7.347 0.262 -3.992 1.00 0.00 H new ATOM 0 HE3 MET A 41 -5.737 -0.127 -3.341 1.00 0.00 H new ATOM 631 N ASP A 42 -7.320 0.398 -10.086 1.00 0.00 N ATOM 632 CA ASP A 42 -6.563 0.790 -11.279 1.00 0.00 C ATOM 633 C ASP A 42 -5.443 1.781 -10.917 1.00 0.00 C ATOM 634 O ASP A 42 -5.684 2.975 -10.729 1.00 0.00 O ATOM 635 CB ASP A 42 -7.514 1.360 -12.343 1.00 0.00 C ATOM 636 CG ASP A 42 -8.318 0.252 -13.042 1.00 0.00 C ATOM 637 OD1 ASP A 42 -7.726 -0.496 -13.857 1.00 0.00 O ATOM 638 OD2 ASP A 42 -9.542 0.132 -12.792 1.00 0.00 O ATOM 0 H ASP A 42 -8.154 0.966 -9.938 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.082 -0.093 -11.700 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.200 2.067 -11.876 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.939 1.915 -13.084 1.00 0.00 H new ATOM 643 N LYS A 43 -4.198 1.292 -10.835 1.00 0.00 N ATOM 644 CA LYS A 43 -2.984 2.093 -10.572 1.00 0.00 C ATOM 645 C LYS A 43 -2.840 3.317 -11.494 1.00 0.00 C ATOM 646 O LYS A 43 -2.464 4.399 -11.043 1.00 0.00 O ATOM 647 CB LYS A 43 -1.750 1.166 -10.606 1.00 0.00 C ATOM 648 CG LYS A 43 -1.427 0.575 -11.991 1.00 0.00 C ATOM 649 CD LYS A 43 -0.401 -0.571 -11.956 1.00 0.00 C ATOM 650 CE LYS A 43 1.003 -0.103 -11.556 1.00 0.00 C ATOM 651 NZ LYS A 43 1.986 -1.215 -11.643 1.00 0.00 N ATOM 0 H LYS A 43 -3.997 0.299 -10.953 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.073 2.526 -9.576 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.883 1.725 -10.253 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.908 0.347 -9.904 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.349 0.210 -12.444 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.048 1.369 -12.635 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.739 -1.333 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.356 -1.041 -12.938 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.316 0.714 -12.206 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.983 0.289 -10.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.941 -0.851 -11.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.746 -1.946 -10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.960 -1.627 -12.597 1.00 0.00 H new ATOM 665 N SER A 44 -3.203 3.154 -12.770 1.00 0.00 N ATOM 666 CA SER A 44 -3.260 4.213 -13.791 1.00 0.00 C ATOM 667 C SER A 44 -4.293 5.297 -13.449 1.00 0.00 C ATOM 668 O SER A 44 -3.977 6.488 -13.467 1.00 0.00 O ATOM 669 CB SER A 44 -3.562 3.587 -15.158 1.00 0.00 C ATOM 670 OG SER A 44 -3.498 4.554 -16.193 1.00 0.00 O ATOM 0 H SER A 44 -3.477 2.243 -13.138 1.00 0.00 H new ATOM 0 HA SER A 44 -2.288 4.706 -13.820 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.849 2.788 -15.360 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.553 3.134 -15.142 1.00 0.00 H new ATOM 0 HG SER A 44 -3.693 4.126 -17.053 1.00 0.00 H new ATOM 676 N LEU A 45 -5.520 4.907 -13.079 1.00 0.00 N ATOM 677 CA LEU A 45 -6.574 5.828 -12.631 1.00 0.00 C ATOM 678 C LEU A 45 -6.149 6.602 -11.374 1.00 0.00 C ATOM 679 O LEU A 45 -6.321 7.816 -11.310 1.00 0.00 O ATOM 680 CB LEU A 45 -7.878 5.043 -12.408 1.00 0.00 C ATOM 681 CG LEU A 45 -9.077 5.882 -11.925 1.00 0.00 C ATOM 682 CD1 LEU A 45 -9.442 7.012 -12.890 1.00 0.00 C ATOM 683 CD2 LEU A 45 -10.299 4.978 -11.768 1.00 0.00 C ATOM 0 H LEU A 45 -5.813 3.930 -13.082 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.746 6.574 -13.407 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.152 4.552 -13.342 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.689 4.256 -11.678 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.783 6.330 -10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.293 7.567 -12.495 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.591 7.684 -13.002 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.702 6.591 -13.861 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.148 5.570 -11.426 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.539 4.520 -12.728 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.083 4.198 -11.038 1.00 0.00 H new ATOM 695 N PHE A 46 -5.554 5.918 -10.395 1.00 0.00 N ATOM 696 CA PHE A 46 -5.021 6.521 -9.173 1.00 0.00 C ATOM 697 C PHE A 46 -3.974 7.617 -9.455 1.00 0.00 C ATOM 698 O PHE A 46 -4.173 8.763 -9.040 1.00 0.00 O ATOM 699 CB PHE A 46 -4.491 5.402 -8.271 1.00 0.00 C ATOM 700 CG PHE A 46 -3.619 5.873 -7.128 1.00 0.00 C ATOM 701 CD1 PHE A 46 -4.140 6.703 -6.116 1.00 0.00 C ATOM 702 CD2 PHE A 46 -2.270 5.477 -7.086 1.00 0.00 C ATOM 703 CE1 PHE A 46 -3.311 7.116 -5.058 1.00 0.00 C ATOM 704 CE2 PHE A 46 -1.460 5.856 -6.007 1.00 0.00 C ATOM 705 CZ PHE A 46 -1.974 6.686 -4.998 1.00 0.00 C ATOM 0 H PHE A 46 -5.427 4.907 -10.431 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.823 7.045 -8.652 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.338 4.852 -7.861 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.921 4.701 -8.881 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.172 7.021 -6.153 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.858 4.880 -7.886 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -3.703 7.766 -4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.439 5.509 -5.952 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.343 6.994 -4.177 1.00 0.00 H new ATOM 715 N VAL A 47 -2.881 7.317 -10.173 1.00 0.00 N ATOM 716 CA VAL A 47 -1.880 8.347 -10.517 1.00 0.00 C ATOM 717 C VAL A 47 -2.433 9.475 -11.358 1.00 0.00 C ATOM 718 O VAL A 47 -2.172 10.639 -11.074 1.00 0.00 O ATOM 719 CB VAL A 47 -0.628 7.769 -11.183 1.00 0.00 C ATOM 720 CG1 VAL A 47 -0.749 7.193 -12.591 1.00 0.00 C ATOM 721 CG2 VAL A 47 0.525 8.775 -11.206 1.00 0.00 C ATOM 0 H VAL A 47 -2.666 6.384 -10.524 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.592 8.765 -9.552 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.442 6.916 -10.531 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.223 6.825 -12.919 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.465 6.371 -12.588 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.092 7.970 -13.274 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.392 8.323 -11.687 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.223 9.662 -11.762 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.782 9.057 -10.185 1.00 0.00 H new ATOM 731 N SER A 48 -3.213 9.157 -12.383 1.00 0.00 N ATOM 732 CA SER A 48 -3.745 10.186 -13.269 1.00 0.00 C ATOM 733 C SER A 48 -4.750 11.103 -12.565 1.00 0.00 C ATOM 734 O SER A 48 -4.831 12.291 -12.880 1.00 0.00 O ATOM 735 CB SER A 48 -4.323 9.541 -14.518 1.00 0.00 C ATOM 736 OG SER A 48 -5.450 8.735 -14.243 1.00 0.00 O ATOM 0 H SER A 48 -3.490 8.204 -12.621 1.00 0.00 H new ATOM 0 HA SER A 48 -2.923 10.836 -13.569 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.603 10.319 -15.228 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.555 8.934 -14.997 1.00 0.00 H new ATOM 0 HG SER A 48 -5.154 7.851 -13.940 1.00 0.00 H new ATOM 742 N ALA A 49 -5.434 10.595 -11.538 1.00 0.00 N ATOM 743 CA ALA A 49 -6.253 11.393 -10.619 1.00 0.00 C ATOM 744 C ALA A 49 -5.394 12.309 -9.724 1.00 0.00 C ATOM 745 O ALA A 49 -5.683 13.503 -9.617 1.00 0.00 O ATOM 746 CB ALA A 49 -7.155 10.478 -9.784 1.00 0.00 C ATOM 0 H ALA A 49 -5.435 9.599 -11.316 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.885 12.049 -11.217 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.758 11.082 -9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.810 9.911 -10.445 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.539 9.789 -9.206 1.00 0.00 H new ATOM 752 N PHE A 50 -4.321 11.783 -9.120 1.00 0.00 N ATOM 753 CA PHE A 50 -3.320 12.575 -8.389 1.00 0.00 C ATOM 754 C PHE A 50 -2.730 13.712 -9.243 1.00 0.00 C ATOM 755 O PHE A 50 -2.708 14.863 -8.808 1.00 0.00 O ATOM 756 CB PHE A 50 -2.255 11.629 -7.823 1.00 0.00 C ATOM 757 CG PHE A 50 -1.078 12.302 -7.141 1.00 0.00 C ATOM 758 CD1 PHE A 50 0.068 12.637 -7.891 1.00 0.00 C ATOM 759 CD2 PHE A 50 -1.108 12.566 -5.758 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.173 13.238 -7.264 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.006 13.154 -5.128 1.00 0.00 C ATOM 762 CZ PHE A 50 1.146 13.487 -5.881 1.00 0.00 C ATOM 0 H PHE A 50 -4.120 10.783 -9.124 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.805 13.084 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.732 10.959 -7.108 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.876 11.009 -8.636 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.097 12.431 -8.951 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.986 12.317 -5.180 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.043 13.508 -7.845 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.015 13.349 -4.066 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.001 13.934 -5.396 1.00 0.00 H new ATOM 772 N GLU A 51 -2.318 13.427 -10.480 1.00 0.00 N ATOM 773 CA GLU A 51 -1.850 14.438 -11.437 1.00 0.00 C ATOM 774 C GLU A 51 -2.948 15.444 -11.817 1.00 0.00 C ATOM 775 O GLU A 51 -2.683 16.638 -11.906 1.00 0.00 O ATOM 776 CB GLU A 51 -1.319 13.767 -12.711 1.00 0.00 C ATOM 777 CG GLU A 51 -0.053 12.934 -12.479 1.00 0.00 C ATOM 778 CD GLU A 51 1.162 13.754 -11.998 1.00 0.00 C ATOM 779 OE1 GLU A 51 1.265 14.960 -12.330 1.00 0.00 O ATOM 780 OE2 GLU A 51 2.033 13.177 -11.304 1.00 0.00 O ATOM 0 H GLU A 51 -2.299 12.477 -10.852 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.049 14.987 -10.941 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.096 13.125 -13.125 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.108 14.534 -13.456 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.270 12.160 -11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.210 12.426 -13.407 1.00 0.00 H new ATOM 787 N THR A 52 -4.192 14.999 -12.009 1.00 0.00 N ATOM 788 CA THR A 52 -5.337 15.888 -12.297 1.00 0.00 C ATOM 789 C THR A 52 -5.562 16.910 -11.175 1.00 0.00 C ATOM 790 O THR A 52 -5.712 18.103 -11.447 1.00 0.00 O ATOM 791 CB THR A 52 -6.623 15.084 -12.562 1.00 0.00 C ATOM 792 OG1 THR A 52 -6.475 14.311 -13.735 1.00 0.00 O ATOM 793 CG2 THR A 52 -7.846 15.970 -12.798 1.00 0.00 C ATOM 0 H THR A 52 -4.442 14.011 -11.971 1.00 0.00 H new ATOM 0 HA THR A 52 -5.088 16.439 -13.204 1.00 0.00 H new ATOM 0 HB THR A 52 -6.776 14.476 -11.671 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.960 13.503 -13.531 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.720 15.344 -12.979 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.020 16.591 -11.919 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.671 16.608 -13.664 1.00 0.00 H new ATOM 801 N PHE A 53 -5.558 16.473 -9.911 1.00 0.00 N ATOM 802 CA PHE A 53 -5.767 17.338 -8.743 1.00 0.00 C ATOM 803 C PHE A 53 -4.514 18.100 -8.265 1.00 0.00 C ATOM 804 O PHE A 53 -4.619 18.887 -7.319 1.00 0.00 O ATOM 805 CB PHE A 53 -6.415 16.528 -7.603 1.00 0.00 C ATOM 806 CG PHE A 53 -7.934 16.534 -7.630 1.00 0.00 C ATOM 807 CD1 PHE A 53 -8.625 17.745 -7.424 1.00 0.00 C ATOM 808 CD2 PHE A 53 -8.661 15.345 -7.827 1.00 0.00 C ATOM 809 CE1 PHE A 53 -10.031 17.773 -7.437 1.00 0.00 C ATOM 810 CE2 PHE A 53 -10.067 15.373 -7.837 1.00 0.00 C ATOM 811 CZ PHE A 53 -10.753 16.585 -7.647 1.00 0.00 C ATOM 0 H PHE A 53 -5.407 15.494 -9.666 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.446 18.127 -9.066 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.064 15.497 -7.658 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.077 16.929 -6.648 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -8.071 18.657 -7.255 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.139 14.411 -7.971 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -10.555 18.705 -7.286 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -10.622 14.459 -7.991 1.00 0.00 H new ATOM 0 HZ PHE A 53 -11.833 16.604 -7.662 1.00 0.00 H new ATOM 821 N ARG A 54 -3.340 17.939 -8.903 1.00 0.00 N ATOM 822 CA ARG A 54 -2.077 18.571 -8.458 1.00 0.00 C ATOM 823 C ARG A 54 -2.159 20.096 -8.370 1.00 0.00 C ATOM 824 O ARG A 54 -1.493 20.706 -7.541 1.00 0.00 O ATOM 825 CB ARG A 54 -0.905 18.101 -9.341 1.00 0.00 C ATOM 826 CG ARG A 54 -0.820 18.801 -10.705 1.00 0.00 C ATOM 827 CD ARG A 54 0.136 18.072 -11.656 1.00 0.00 C ATOM 828 NE ARG A 54 0.096 18.682 -12.995 1.00 0.00 N ATOM 829 CZ ARG A 54 0.521 18.157 -14.131 1.00 0.00 C ATOM 830 NH1 ARG A 54 1.058 16.973 -14.205 1.00 0.00 N ATOM 831 NH2 ARG A 54 0.409 18.825 -15.243 1.00 0.00 N ATOM 0 H ARG A 54 -3.237 17.368 -9.742 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.894 18.239 -7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.029 18.265 -8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.995 17.027 -9.502 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.813 18.849 -11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.483 19.828 -10.567 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.151 18.112 -11.262 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.139 17.019 -11.721 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.306 19.618 -13.053 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.165 16.408 -13.362 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.371 16.610 -15.105 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.008 19.756 -15.239 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.738 18.417 -16.118 1.00 0.00 H new ATOM 845 N GLU A 55 -3.026 20.700 -9.182 1.00 0.00 N ATOM 846 CA GLU A 55 -3.321 22.140 -9.245 1.00 0.00 C ATOM 847 C GLU A 55 -3.741 22.763 -7.896 1.00 0.00 C ATOM 848 O GLU A 55 -3.636 23.978 -7.718 1.00 0.00 O ATOM 849 CB GLU A 55 -4.413 22.402 -10.297 1.00 0.00 C ATOM 850 CG GLU A 55 -4.099 21.763 -11.657 1.00 0.00 C ATOM 851 CD GLU A 55 -4.944 22.396 -12.780 1.00 0.00 C ATOM 852 OE1 GLU A 55 -6.162 22.108 -12.873 1.00 0.00 O ATOM 853 OE2 GLU A 55 -4.395 23.192 -13.581 1.00 0.00 O ATOM 0 H GLU A 55 -3.577 20.169 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.386 22.625 -9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.364 22.015 -9.930 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.535 23.477 -10.426 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.040 21.885 -11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.294 20.692 -11.612 1.00 0.00 H new ATOM 860 N GLU A 56 -4.181 21.947 -6.934 1.00 0.00 N ATOM 861 CA GLU A 56 -4.502 22.350 -5.559 1.00 0.00 C ATOM 862 C GLU A 56 -3.284 22.896 -4.778 1.00 0.00 C ATOM 863 O GLU A 56 -3.440 23.801 -3.952 1.00 0.00 O ATOM 864 CB GLU A 56 -5.105 21.130 -4.837 1.00 0.00 C ATOM 865 CG GLU A 56 -5.743 21.425 -3.472 1.00 0.00 C ATOM 866 CD GLU A 56 -7.028 22.268 -3.605 1.00 0.00 C ATOM 867 OE1 GLU A 56 -8.119 21.686 -3.825 1.00 0.00 O ATOM 868 OE2 GLU A 56 -6.965 23.515 -3.481 1.00 0.00 O ATOM 0 H GLU A 56 -4.329 20.951 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.213 23.175 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.860 20.682 -5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.321 20.385 -4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.976 20.486 -2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.026 21.953 -2.843 1.00 0.00 H new ATOM 875 N SER A 57 -2.075 22.378 -5.040 1.00 0.00 N ATOM 876 CA SER A 57 -0.873 22.600 -4.215 1.00 0.00 C ATOM 877 C SER A 57 0.388 22.799 -5.062 1.00 0.00 C ATOM 878 O SER A 57 0.749 21.938 -5.865 1.00 0.00 O ATOM 879 CB SER A 57 -0.663 21.414 -3.260 1.00 0.00 C ATOM 880 OG SER A 57 -1.747 21.293 -2.353 1.00 0.00 O ATOM 0 H SER A 57 -1.899 21.780 -5.848 1.00 0.00 H new ATOM 0 HA SER A 57 -1.040 23.516 -3.648 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.561 20.494 -3.835 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.266 21.549 -2.706 1.00 0.00 H new ATOM 0 HG SER A 57 -1.591 20.531 -1.757 1.00 0.00 H new ATOM 886 N LEU A 58 1.109 23.908 -4.855 1.00 0.00 N ATOM 887 CA LEU A 58 2.293 24.287 -5.647 1.00 0.00 C ATOM 888 C LEU A 58 3.391 23.208 -5.631 1.00 0.00 C ATOM 889 O LEU A 58 4.037 22.947 -6.645 1.00 0.00 O ATOM 890 CB LEU A 58 2.826 25.659 -5.170 1.00 0.00 C ATOM 891 CG LEU A 58 3.159 26.676 -6.283 1.00 0.00 C ATOM 892 CD1 LEU A 58 4.099 26.128 -7.357 1.00 0.00 C ATOM 893 CD2 LEU A 58 1.893 27.194 -6.971 1.00 0.00 C ATOM 0 H LEU A 58 0.885 24.580 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 58 1.983 24.374 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.084 26.105 -4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.725 25.492 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 58 3.671 27.488 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.287 26.899 -8.104 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.042 25.830 -6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.640 25.263 -7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.167 27.907 -7.748 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.354 26.359 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.255 27.685 -6.237 1.00 0.00 H new ATOM 905 N VAL A 59 3.545 22.520 -4.495 1.00 0.00 N ATOM 906 CA VAL A 59 4.503 21.417 -4.306 1.00 0.00 C ATOM 907 C VAL A 59 4.202 20.196 -5.186 1.00 0.00 C ATOM 908 O VAL A 59 5.109 19.436 -5.516 1.00 0.00 O ATOM 909 CB VAL A 59 4.577 20.980 -2.825 1.00 0.00 C ATOM 910 CG1 VAL A 59 4.811 22.174 -1.892 1.00 0.00 C ATOM 911 CG2 VAL A 59 3.337 20.238 -2.313 1.00 0.00 C ATOM 0 H VAL A 59 2.995 22.717 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 59 5.469 21.816 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 59 5.420 20.289 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.857 21.826 -0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.751 22.661 -2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.992 22.885 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.479 19.971 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.463 20.882 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.186 19.333 -2.901 1.00 0.00 H new ATOM 921 N CYS A 60 2.932 20.003 -5.557 1.00 0.00 N ATOM 922 CA CYS A 60 2.427 18.852 -6.304 1.00 0.00 C ATOM 923 C CYS A 60 2.556 19.036 -7.825 1.00 0.00 C ATOM 924 O CYS A 60 2.692 18.064 -8.567 1.00 0.00 O ATOM 925 CB CYS A 60 0.956 18.661 -5.914 1.00 0.00 C ATOM 926 SG CYS A 60 0.492 16.924 -6.140 1.00 0.00 S ATOM 0 H CYS A 60 2.198 20.675 -5.334 1.00 0.00 H new ATOM 0 HA CYS A 60 3.022 17.974 -6.052 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.802 18.958 -4.876 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.320 19.301 -6.526 1.00 0.00 H new ATOM 0 HG CYS A 60 1.417 16.159 -5.640 1.00 0.00 H new ATOM 932 N LYS A 61 2.533 20.292 -8.294 1.00 0.00 N ATOM 933 CA LYS A 61 2.692 20.677 -9.712 1.00 0.00 C ATOM 934 C LYS A 61 4.102 20.403 -10.262 1.00 0.00 C ATOM 935 O LYS A 61 4.303 20.422 -11.477 1.00 0.00 O ATOM 936 CB LYS A 61 2.299 22.154 -9.880 1.00 0.00 C ATOM 937 CG LYS A 61 0.777 22.330 -9.709 1.00 0.00 C ATOM 938 CD LYS A 61 0.348 23.727 -9.251 1.00 0.00 C ATOM 939 CE LYS A 61 0.201 24.786 -10.357 1.00 0.00 C ATOM 940 NZ LYS A 61 1.488 25.157 -11.009 1.00 0.00 N ATOM 0 H LYS A 61 2.399 21.096 -7.681 1.00 0.00 H new ATOM 0 HA LYS A 61 2.026 20.049 -10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.826 22.763 -9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.604 22.508 -10.865 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.289 22.106 -10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.418 21.598 -8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.606 23.640 -8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.076 24.088 -8.524 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.486 24.412 -11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.252 25.682 -9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.350 26.007 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.204 25.350 -10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.810 24.373 -11.612 1.00 0.00 H new ATOM 954 N ASP A 62 5.059 20.107 -9.383 1.00 0.00 N ATOM 955 CA ASP A 62 6.424 19.667 -9.685 1.00 0.00 C ATOM 956 C ASP A 62 6.778 18.415 -8.852 1.00 0.00 C ATOM 957 O ASP A 62 7.658 18.442 -7.991 1.00 0.00 O ATOM 958 CB ASP A 62 7.385 20.853 -9.476 1.00 0.00 C ATOM 959 CG ASP A 62 8.836 20.549 -9.896 1.00 0.00 C ATOM 960 OD1 ASP A 62 9.051 19.769 -10.856 1.00 0.00 O ATOM 961 OD2 ASP A 62 9.769 21.146 -9.304 1.00 0.00 O ATOM 0 H ASP A 62 4.893 20.172 -8.379 1.00 0.00 H new ATOM 0 HA ASP A 62 6.517 19.360 -10.727 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.022 21.709 -10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.372 21.140 -8.425 1.00 0.00 H new ATOM 966 N ALA A 63 6.042 17.321 -9.083 1.00 0.00 N ATOM 967 CA ALA A 63 6.181 16.028 -8.400 1.00 0.00 C ATOM 968 C ALA A 63 5.967 14.829 -9.354 1.00 0.00 C ATOM 969 O ALA A 63 5.525 14.992 -10.495 1.00 0.00 O ATOM 970 CB ALA A 63 5.177 15.989 -7.237 1.00 0.00 C ATOM 0 H ALA A 63 5.300 17.312 -9.783 1.00 0.00 H new ATOM 0 HA ALA A 63 7.201 15.936 -8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.262 15.036 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.391 16.803 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.165 16.100 -7.626 1.00 0.00 H new ATOM 976 N ILE A 64 6.257 13.617 -8.866 1.00 0.00 N ATOM 977 CA ILE A 64 6.046 12.312 -9.526 1.00 0.00 C ATOM 978 C ILE A 64 5.444 11.336 -8.497 1.00 0.00 C ATOM 979 O ILE A 64 5.791 11.417 -7.317 1.00 0.00 O ATOM 980 CB ILE A 64 7.392 11.780 -10.089 1.00 0.00 C ATOM 981 CG1 ILE A 64 7.987 12.757 -11.134 1.00 0.00 C ATOM 982 CG2 ILE A 64 7.239 10.373 -10.704 1.00 0.00 C ATOM 983 CD1 ILE A 64 9.390 12.389 -11.628 1.00 0.00 C ATOM 0 H ILE A 64 6.672 13.509 -7.941 1.00 0.00 H new ATOM 0 HA ILE A 64 5.357 12.415 -10.364 1.00 0.00 H new ATOM 0 HB ILE A 64 8.081 11.707 -9.248 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.315 12.804 -11.991 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.020 13.756 -10.700 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.203 10.036 -11.087 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.889 9.678 -9.940 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.517 10.409 -11.520 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.725 13.128 -12.356 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.080 12.372 -10.784 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.364 11.405 -12.096 1.00 0.00 H new ATOM 995 N LEU A 65 4.594 10.394 -8.929 1.00 0.00 N ATOM 996 CA LEU A 65 3.994 9.338 -8.101 1.00 0.00 C ATOM 997 C LEU A 65 4.366 7.946 -8.645 1.00 0.00 C ATOM 998 O LEU A 65 3.897 7.520 -9.702 1.00 0.00 O ATOM 999 CB LEU A 65 2.484 9.621 -7.958 1.00 0.00 C ATOM 1000 CG LEU A 65 1.551 8.435 -7.640 1.00 0.00 C ATOM 1001 CD1 LEU A 65 1.935 7.590 -6.430 1.00 0.00 C ATOM 1002 CD2 LEU A 65 0.148 8.971 -7.359 1.00 0.00 C ATOM 0 H LEU A 65 4.294 10.345 -9.903 1.00 0.00 H new ATOM 0 HA LEU A 65 4.398 9.340 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.357 10.366 -7.172 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.140 10.076 -8.887 1.00 0.00 H new ATOM 0 HG LEU A 65 1.621 7.792 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.209 6.787 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.926 7.163 -6.584 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.944 8.216 -5.537 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.520 8.140 -7.133 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.182 9.651 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.220 9.504 -8.235 1.00 0.00 H new ATOM 1014 N ASP A 66 5.250 7.256 -7.921 1.00 0.00 N ATOM 1015 CA ASP A 66 5.820 5.946 -8.256 1.00 0.00 C ATOM 1016 C ASP A 66 5.082 4.782 -7.570 1.00 0.00 C ATOM 1017 O ASP A 66 5.261 4.543 -6.372 1.00 0.00 O ATOM 1018 CB ASP A 66 7.303 5.954 -7.867 1.00 0.00 C ATOM 1019 CG ASP A 66 8.054 4.690 -8.324 1.00 0.00 C ATOM 1020 OD1 ASP A 66 7.726 4.140 -9.402 1.00 0.00 O ATOM 1021 OD2 ASP A 66 9.006 4.270 -7.627 1.00 0.00 O ATOM 0 H ASP A 66 5.608 7.615 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 66 5.705 5.782 -9.327 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.782 6.831 -8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.388 6.048 -6.784 1.00 0.00 H new ATOM 1026 N ILE A 67 4.238 4.061 -8.317 1.00 0.00 N ATOM 1027 CA ILE A 67 3.546 2.852 -7.843 1.00 0.00 C ATOM 1028 C ILE A 67 4.446 1.608 -7.940 1.00 0.00 C ATOM 1029 O ILE A 67 4.881 1.215 -9.025 1.00 0.00 O ATOM 1030 CB ILE A 67 2.229 2.631 -8.613 1.00 0.00 C ATOM 1031 CG1 ILE A 67 1.247 3.807 -8.389 1.00 0.00 C ATOM 1032 CG2 ILE A 67 1.559 1.320 -8.157 1.00 0.00 C ATOM 1033 CD1 ILE A 67 0.707 4.366 -9.708 1.00 0.00 C ATOM 0 H ILE A 67 4.012 4.303 -9.282 1.00 0.00 H new ATOM 0 HA ILE A 67 3.307 3.007 -6.791 1.00 0.00 H new ATOM 0 HB ILE A 67 2.471 2.572 -9.674 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.415 3.471 -7.771 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.752 4.601 -7.839 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.630 1.175 -8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.229 0.483 -8.350 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.343 1.374 -7.090 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.023 5.189 -9.501 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.536 4.728 -10.316 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.178 3.580 -10.247 1.00 0.00 H new ATOM 1045 N VAL A 68 4.658 0.950 -6.801 1.00 0.00 N ATOM 1046 CA VAL A 68 5.236 -0.391 -6.636 1.00 0.00 C ATOM 1047 C VAL A 68 4.111 -1.429 -6.541 1.00 0.00 C ATOM 1048 O VAL A 68 3.150 -1.256 -5.790 1.00 0.00 O ATOM 1049 CB VAL A 68 6.119 -0.436 -5.371 1.00 0.00 C ATOM 1050 CG1 VAL A 68 6.731 -1.823 -5.136 1.00 0.00 C ATOM 1051 CG2 VAL A 68 7.278 0.564 -5.487 1.00 0.00 C ATOM 0 H VAL A 68 4.414 1.367 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 68 5.859 -0.623 -7.500 1.00 0.00 H new ATOM 0 HB VAL A 68 5.465 -0.185 -4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.343 -1.803 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.934 -2.557 -5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.351 -2.096 -5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.890 0.518 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.889 0.313 -6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.879 1.572 -5.604 1.00 0.00 H new ATOM 1061 N ASP A 69 4.231 -2.522 -7.293 1.00 0.00 N ATOM 1062 CA ASP A 69 3.332 -3.683 -7.216 1.00 0.00 C ATOM 1063 C ASP A 69 3.635 -4.515 -5.955 1.00 0.00 C ATOM 1064 O ASP A 69 4.633 -5.239 -5.887 1.00 0.00 O ATOM 1065 CB ASP A 69 3.444 -4.527 -8.493 1.00 0.00 C ATOM 1066 CG ASP A 69 3.044 -3.721 -9.736 1.00 0.00 C ATOM 1067 OD1 ASP A 69 1.842 -3.402 -9.904 1.00 0.00 O ATOM 1068 OD2 ASP A 69 3.928 -3.370 -10.552 1.00 0.00 O ATOM 0 H ASP A 69 4.969 -2.632 -7.988 1.00 0.00 H new ATOM 0 HA ASP A 69 2.303 -3.332 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.467 -4.886 -8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.805 -5.406 -8.407 1.00 0.00 H new ATOM 1073 N GLU A 70 2.811 -4.366 -4.918 1.00 0.00 N ATOM 1074 CA GLU A 70 2.998 -5.002 -3.609 1.00 0.00 C ATOM 1075 C GLU A 70 2.514 -6.461 -3.598 1.00 0.00 C ATOM 1076 O GLU A 70 1.503 -6.804 -4.216 1.00 0.00 O ATOM 1077 CB GLU A 70 2.284 -4.179 -2.514 1.00 0.00 C ATOM 1078 CG GLU A 70 3.263 -3.512 -1.539 1.00 0.00 C ATOM 1079 CD GLU A 70 3.874 -4.528 -0.555 1.00 0.00 C ATOM 1080 OE1 GLU A 70 4.587 -5.458 -1.003 1.00 0.00 O ATOM 1081 OE2 GLU A 70 3.619 -4.407 0.667 1.00 0.00 O ATOM 0 H GLU A 70 1.973 -3.786 -4.964 1.00 0.00 H new ATOM 0 HA GLU A 70 4.068 -5.022 -3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.669 -3.413 -2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.611 -4.831 -1.957 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.060 -3.026 -2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.745 -2.732 -0.981 1.00 0.00 H new ATOM 1088 N LYS A 71 3.219 -7.326 -2.862 1.00 0.00 N ATOM 1089 CA LYS A 71 2.874 -8.737 -2.671 1.00 0.00 C ATOM 1090 C LYS A 71 1.608 -8.901 -1.831 1.00 0.00 C ATOM 1091 O LYS A 71 1.224 -8.004 -1.077 1.00 0.00 O ATOM 1092 CB LYS A 71 4.078 -9.450 -2.027 1.00 0.00 C ATOM 1093 CG LYS A 71 5.058 -10.016 -3.066 1.00 0.00 C ATOM 1094 CD LYS A 71 5.592 -9.051 -4.139 1.00 0.00 C ATOM 1095 CE LYS A 71 6.475 -7.919 -3.589 1.00 0.00 C ATOM 1096 NZ LYS A 71 7.798 -8.414 -3.121 1.00 0.00 N ATOM 0 H LYS A 71 4.070 -7.055 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 71 2.656 -9.191 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.606 -8.750 -1.380 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.718 -10.261 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.913 -10.431 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.567 -10.846 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.166 -9.621 -4.870 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.747 -8.612 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.624 -7.167 -4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.960 -7.428 -2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.359 -7.616 -2.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.659 -9.112 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.302 -8.860 -3.914 1.00 0.00 H new ATOM 1110 N VAL A 72 0.988 -10.076 -1.927 1.00 0.00 N ATOM 1111 CA VAL A 72 -0.241 -10.450 -1.206 1.00 0.00 C ATOM 1112 C VAL A 72 -0.073 -11.800 -0.509 1.00 0.00 C ATOM 1113 O VAL A 72 0.568 -12.709 -1.037 1.00 0.00 O ATOM 1114 CB VAL A 72 -1.450 -10.452 -2.162 1.00 0.00 C ATOM 1115 CG1 VAL A 72 -2.744 -10.948 -1.510 1.00 0.00 C ATOM 1116 CG2 VAL A 72 -1.743 -9.037 -2.676 1.00 0.00 C ATOM 0 H VAL A 72 1.334 -10.824 -2.528 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.430 -9.705 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.165 -11.131 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.553 -10.922 -2.241 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.605 -11.970 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.996 -10.305 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.600 -9.064 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.964 -8.382 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.873 -8.657 -3.212 1.00 0.00 H new ATOM 1126 N GLU A 73 -0.661 -11.938 0.681 1.00 0.00 N ATOM 1127 CA GLU A 73 -0.586 -13.147 1.513 1.00 0.00 C ATOM 1128 C GLU A 73 -1.895 -13.383 2.288 1.00 0.00 C ATOM 1129 O GLU A 73 -2.554 -12.435 2.723 1.00 0.00 O ATOM 1130 CB GLU A 73 0.617 -13.005 2.461 1.00 0.00 C ATOM 1131 CG GLU A 73 1.139 -14.337 3.003 1.00 0.00 C ATOM 1132 CD GLU A 73 2.510 -14.139 3.684 1.00 0.00 C ATOM 1133 OE1 GLU A 73 2.593 -13.406 4.699 1.00 0.00 O ATOM 1134 OE2 GLU A 73 3.518 -14.706 3.197 1.00 0.00 O ATOM 0 H GLU A 73 -1.217 -11.196 1.106 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.449 -14.022 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.425 -12.497 1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.333 -12.369 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.427 -14.751 3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.230 -15.057 2.190 1.00 0.00 H new ATOM 1141 N LEU A 74 -2.269 -14.653 2.463 1.00 0.00 N ATOM 1142 CA LEU A 74 -3.532 -15.139 3.026 1.00 0.00 C ATOM 1143 C LEU A 74 -3.274 -15.945 4.315 1.00 0.00 C ATOM 1144 O LEU A 74 -2.817 -17.087 4.251 1.00 0.00 O ATOM 1145 CB LEU A 74 -4.254 -16.005 1.964 1.00 0.00 C ATOM 1146 CG LEU A 74 -5.158 -15.297 0.935 1.00 0.00 C ATOM 1147 CD1 LEU A 74 -6.418 -14.721 1.574 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -4.469 -14.168 0.174 1.00 0.00 C ATOM 0 H LEU A 74 -1.655 -15.422 2.197 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.167 -14.293 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.493 -16.558 1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.863 -16.739 2.492 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.413 -16.088 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.023 -14.232 0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.993 -15.525 2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.139 -13.993 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.172 -13.722 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.129 -13.409 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.613 -14.566 -0.371 1.00 0.00 H new ATOM 1160 N GLU A 75 -3.539 -15.365 5.490 1.00 0.00 N ATOM 1161 CA GLU A 75 -3.523 -16.073 6.779 1.00 0.00 C ATOM 1162 C GLU A 75 -4.834 -16.823 7.060 1.00 0.00 C ATOM 1163 O GLU A 75 -5.909 -16.394 6.635 1.00 0.00 O ATOM 1164 CB GLU A 75 -3.198 -15.110 7.943 1.00 0.00 C ATOM 1165 CG GLU A 75 -4.338 -14.171 8.370 1.00 0.00 C ATOM 1166 CD GLU A 75 -3.916 -13.233 9.521 1.00 0.00 C ATOM 1167 OE1 GLU A 75 -3.524 -13.721 10.609 1.00 0.00 O ATOM 1168 OE2 GLU A 75 -3.986 -11.991 9.351 1.00 0.00 O ATOM 0 H GLU A 75 -3.774 -14.376 5.576 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.732 -16.819 6.707 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.897 -15.702 8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.339 -14.502 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.656 -13.575 7.515 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.198 -14.764 8.682 1.00 0.00 H new ATOM 1175 N CYS A 76 -4.763 -17.905 7.839 1.00 0.00 N ATOM 1176 CA CYS A 76 -5.937 -18.534 8.445 1.00 0.00 C ATOM 1177 C CYS A 76 -6.453 -17.730 9.663 1.00 0.00 C ATOM 1178 O CYS A 76 -5.707 -17.000 10.325 1.00 0.00 O ATOM 1179 CB CYS A 76 -5.549 -19.954 8.861 1.00 0.00 C ATOM 1180 SG CYS A 76 -7.040 -20.980 9.080 1.00 0.00 S ATOM 0 H CYS A 76 -3.885 -18.371 8.068 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.750 -18.558 7.720 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -4.902 -20.398 8.104 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.980 -19.925 9.790 1.00 0.00 H new ATOM 0 HG CYS A 76 -6.776 -22.207 8.740 1.00 0.00 H new ATOM 1185 N LYS A 77 -7.737 -17.913 9.981 1.00 0.00 N ATOM 1186 CA LYS A 77 -8.462 -17.300 11.113 1.00 0.00 C ATOM 1187 C LYS A 77 -7.919 -17.675 12.498 1.00 0.00 C ATOM 1188 O LYS A 77 -7.525 -16.797 13.265 1.00 0.00 O ATOM 1189 CB LYS A 77 -9.958 -17.655 11.013 1.00 0.00 C ATOM 1190 CG LYS A 77 -10.709 -16.818 9.965 1.00 0.00 C ATOM 1191 CD LYS A 77 -10.930 -15.353 10.372 1.00 0.00 C ATOM 1192 CE LYS A 77 -11.892 -15.209 11.549 1.00 0.00 C ATOM 1193 NZ LYS A 77 -12.188 -13.783 11.849 1.00 0.00 N ATOM 0 H LYS A 77 -8.338 -18.525 9.429 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.309 -16.224 11.026 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.058 -18.712 10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.425 -17.510 11.987 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.152 -16.843 9.028 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.677 -17.280 9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.972 -14.904 10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.320 -14.798 9.519 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.821 -15.734 11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.462 -15.684 12.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.844 -13.727 12.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -11.305 -13.288 12.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.622 -13.336 11.016 1.00 0.00 H new ATOM 1207 N ASP A 78 -7.962 -18.961 12.841 1.00 0.00 N ATOM 1208 CA ASP A 78 -7.737 -19.495 14.197 1.00 0.00 C ATOM 1209 C ASP A 78 -6.707 -20.644 14.186 1.00 0.00 C ATOM 1210 O ASP A 78 -6.985 -21.780 14.582 1.00 0.00 O ATOM 1211 CB ASP A 78 -9.096 -19.879 14.810 1.00 0.00 C ATOM 1212 CG ASP A 78 -8.996 -20.309 16.287 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -8.224 -19.687 17.058 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -9.732 -21.238 16.701 1.00 0.00 O ATOM 0 H ASP A 78 -8.162 -19.694 12.161 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.293 -18.732 14.836 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.776 -19.031 14.730 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.532 -20.692 14.230 1.00 0.00 H new ATOM 1219 N CYS A 79 -5.524 -20.331 13.653 1.00 0.00 N ATOM 1220 CA CYS A 79 -4.504 -21.265 13.175 1.00 0.00 C ATOM 1221 C CYS A 79 -3.077 -20.727 13.437 1.00 0.00 C ATOM 1222 O CYS A 79 -2.867 -19.854 14.286 1.00 0.00 O ATOM 1223 CB CYS A 79 -4.794 -21.461 11.677 1.00 0.00 C ATOM 1224 SG CYS A 79 -5.074 -23.187 11.206 1.00 0.00 S ATOM 0 H CYS A 79 -5.236 -19.359 13.537 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.545 -22.217 13.705 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.671 -20.873 11.407 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.957 -21.068 11.100 1.00 0.00 H new ATOM 0 HG CYS A 79 -4.948 -23.311 9.918 1.00 0.00 H new ATOM 1229 N SER A 80 -2.093 -21.245 12.695 1.00 0.00 N ATOM 1230 CA SER A 80 -0.679 -20.823 12.756 1.00 0.00 C ATOM 1231 C SER A 80 0.050 -20.846 11.399 1.00 0.00 C ATOM 1232 O SER A 80 1.282 -20.836 11.347 1.00 0.00 O ATOM 1233 CB SER A 80 0.072 -21.622 13.833 1.00 0.00 C ATOM 1234 OG SER A 80 0.124 -23.011 13.540 1.00 0.00 O ATOM 0 H SER A 80 -2.256 -21.989 12.016 1.00 0.00 H new ATOM 0 HA SER A 80 -0.685 -19.771 13.040 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.087 -21.235 13.927 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.416 -21.475 14.797 1.00 0.00 H new ATOM 0 HG SER A 80 0.612 -23.477 14.251 1.00 0.00 H new ATOM 1240 N HIS A 81 -0.698 -20.865 10.289 1.00 0.00 N ATOM 1241 CA HIS A 81 -0.187 -20.940 8.914 1.00 0.00 C ATOM 1242 C HIS A 81 -0.781 -19.845 8.008 1.00 0.00 C ATOM 1243 O HIS A 81 -1.932 -19.427 8.181 1.00 0.00 O ATOM 1244 CB HIS A 81 -0.481 -22.348 8.369 1.00 0.00 C ATOM 1245 CG HIS A 81 -0.081 -22.543 6.930 1.00 0.00 C ATOM 1246 ND1 HIS A 81 1.208 -22.626 6.450 1.00 0.00 N ATOM 1247 CD2 HIS A 81 -0.934 -22.619 5.862 1.00 0.00 C ATOM 1248 CE1 HIS A 81 1.137 -22.740 5.113 1.00 0.00 C ATOM 1249 NE2 HIS A 81 -0.146 -22.734 4.713 1.00 0.00 N ATOM 0 H HIS A 81 -1.717 -20.827 10.325 1.00 0.00 H new ATOM 0 HA HIS A 81 0.888 -20.762 8.921 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.042 -23.081 8.983 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.547 -22.550 8.470 1.00 0.00 H new ATOM 0 HD1 HIS A 81 2.061 -22.605 7.008 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -2.013 -22.595 5.900 1.00 0.00 H new ATOM 0 HE1 HIS A 81 1.989 -22.824 4.454 1.00 0.00 H new ATOM 1257 N VAL A 82 0.002 -19.404 7.016 1.00 0.00 N ATOM 1258 CA VAL A 82 -0.387 -18.482 5.942 1.00 0.00 C ATOM 1259 C VAL A 82 0.188 -18.959 4.597 1.00 0.00 C ATOM 1260 O VAL A 82 1.249 -19.587 4.566 1.00 0.00 O ATOM 1261 CB VAL A 82 0.035 -17.024 6.259 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -0.082 -16.636 7.744 1.00 0.00 C ATOM 1263 CG2 VAL A 82 1.461 -16.658 5.846 1.00 0.00 C ATOM 0 H VAL A 82 0.976 -19.696 6.937 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.474 -18.485 5.868 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.685 -16.471 5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.233 -15.601 7.875 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.117 -16.744 8.068 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.555 -17.288 8.342 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.661 -15.619 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.168 -17.306 6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.572 -16.787 4.769 1.00 0.00 H new ATOM 1273 N PHE A 83 -0.471 -18.632 3.481 1.00 0.00 N ATOM 1274 CA PHE A 83 -0.053 -19.014 2.121 1.00 0.00 C ATOM 1275 C PHE A 83 -0.258 -17.889 1.085 1.00 0.00 C ATOM 1276 O PHE A 83 -0.733 -16.800 1.413 1.00 0.00 O ATOM 1277 CB PHE A 83 -0.742 -20.339 1.728 1.00 0.00 C ATOM 1278 CG PHE A 83 -2.263 -20.344 1.719 1.00 0.00 C ATOM 1279 CD1 PHE A 83 -2.971 -19.587 0.765 1.00 0.00 C ATOM 1280 CD2 PHE A 83 -2.981 -21.147 2.629 1.00 0.00 C ATOM 1281 CE1 PHE A 83 -4.372 -19.621 0.709 1.00 0.00 C ATOM 1282 CE2 PHE A 83 -4.385 -21.174 2.578 1.00 0.00 C ATOM 1283 CZ PHE A 83 -5.083 -20.424 1.615 1.00 0.00 C ATOM 0 H PHE A 83 -1.330 -18.082 3.494 1.00 0.00 H new ATOM 0 HA PHE A 83 1.025 -19.177 2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.395 -20.620 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.404 -21.115 2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.426 -18.970 0.065 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -2.454 -21.739 3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.901 -19.033 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.934 -21.777 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.161 -20.465 1.572 1.00 0.00 H new ATOM 1293 N LYS A 84 0.098 -18.143 -0.183 1.00 0.00 N ATOM 1294 CA LYS A 84 -0.058 -17.208 -1.316 1.00 0.00 C ATOM 1295 C LYS A 84 -1.341 -17.499 -2.124 1.00 0.00 C ATOM 1296 O LYS A 84 -1.701 -18.671 -2.275 1.00 0.00 O ATOM 1297 CB LYS A 84 1.182 -17.283 -2.225 1.00 0.00 C ATOM 1298 CG LYS A 84 2.439 -16.742 -1.525 1.00 0.00 C ATOM 1299 CD LYS A 84 3.653 -16.791 -2.462 1.00 0.00 C ATOM 1300 CE LYS A 84 4.895 -16.250 -1.743 1.00 0.00 C ATOM 1301 NZ LYS A 84 6.098 -16.303 -2.614 1.00 0.00 N ATOM 0 H LYS A 84 0.516 -19.031 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.151 -16.199 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.350 -18.317 -2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.000 -16.713 -3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.266 -15.716 -1.201 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.642 -17.329 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.829 -17.816 -2.788 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.455 -16.201 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.716 -15.221 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.074 -16.831 -0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.919 -15.930 -2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.283 -17.288 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.936 -15.728 -3.465 1.00 0.00 H new ATOM 1315 N PRO A 85 -2.033 -16.469 -2.650 1.00 0.00 N ATOM 1316 CA PRO A 85 -3.314 -16.621 -3.355 1.00 0.00 C ATOM 1317 C PRO A 85 -3.202 -17.323 -4.724 1.00 0.00 C ATOM 1318 O PRO A 85 -2.113 -17.671 -5.184 1.00 0.00 O ATOM 1319 CB PRO A 85 -3.868 -15.192 -3.474 1.00 0.00 C ATOM 1320 CG PRO A 85 -2.617 -14.319 -3.487 1.00 0.00 C ATOM 1321 CD PRO A 85 -1.673 -15.060 -2.543 1.00 0.00 C ATOM 0 HA PRO A 85 -3.981 -17.281 -2.800 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.455 -15.064 -4.384 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.520 -14.944 -2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.198 -14.229 -4.489 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.826 -13.308 -3.137 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.632 -14.899 -2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.785 -14.704 -1.519 1.00 0.00 H new ATOM 1329 N ASN A 86 -4.358 -17.514 -5.380 1.00 0.00 N ATOM 1330 CA ASN A 86 -4.590 -18.107 -6.715 1.00 0.00 C ATOM 1331 C ASN A 86 -4.598 -19.655 -6.729 1.00 0.00 C ATOM 1332 O ASN A 86 -4.899 -20.265 -7.758 1.00 0.00 O ATOM 1333 CB ASN A 86 -3.608 -17.512 -7.752 1.00 0.00 C ATOM 1334 CG ASN A 86 -4.202 -17.313 -9.140 1.00 0.00 C ATOM 1335 OD1 ASN A 86 -4.288 -16.201 -9.643 1.00 0.00 O ATOM 1336 ND2 ASN A 86 -4.635 -18.358 -9.807 1.00 0.00 N ATOM 0 H ASN A 86 -5.240 -17.232 -4.952 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.604 -17.830 -7.003 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.248 -16.552 -7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.741 -18.168 -7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.039 -18.239 -10.736 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.568 -19.289 -9.396 1.00 0.00 H new ATOM 1405 N GLY A 91 -6.380 -24.829 -2.368 1.00 0.00 N ATOM 1406 CA GLY A 91 -6.733 -23.495 -1.847 1.00 0.00 C ATOM 1407 C GLY A 91 -7.247 -23.436 -0.396 1.00 0.00 C ATOM 1408 O GLY A 91 -7.504 -22.344 0.113 1.00 0.00 O ATOM 0 HA2 GLY A 91 -5.854 -22.856 -1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.496 -23.066 -2.497 1.00 0.00 H new ATOM 1412 N VAL A 92 -7.419 -24.581 0.272 1.00 0.00 N ATOM 1413 CA VAL A 92 -7.695 -24.672 1.721 1.00 0.00 C ATOM 1414 C VAL A 92 -6.465 -24.325 2.578 1.00 0.00 C ATOM 1415 O VAL A 92 -5.329 -24.373 2.099 1.00 0.00 O ATOM 1416 CB VAL A 92 -8.201 -26.076 2.111 1.00 0.00 C ATOM 1417 CG1 VAL A 92 -9.595 -26.355 1.540 1.00 0.00 C ATOM 1418 CG2 VAL A 92 -7.266 -27.206 1.668 1.00 0.00 C ATOM 0 H VAL A 92 -7.370 -25.493 -0.183 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.473 -23.936 1.923 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.235 -26.065 3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -9.917 -27.353 1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.300 -25.618 1.924 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.562 -26.293 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.683 -28.165 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.160 -27.187 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.288 -27.071 2.130 1.00 0.00 H new ATOM 1428 N CYS A 93 -6.675 -24.039 3.869 1.00 0.00 N ATOM 1429 CA CYS A 93 -5.610 -23.982 4.871 1.00 0.00 C ATOM 1430 C CYS A 93 -4.924 -25.357 5.007 1.00 0.00 C ATOM 1431 O CYS A 93 -5.565 -26.409 5.104 1.00 0.00 O ATOM 1432 CB CYS A 93 -6.154 -23.342 6.159 1.00 0.00 C ATOM 1433 SG CYS A 93 -5.105 -23.687 7.602 1.00 0.00 S ATOM 0 H CYS A 93 -7.600 -23.839 4.249 1.00 0.00 H new ATOM 0 HA CYS A 93 -4.796 -23.325 4.563 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -6.233 -22.264 6.020 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -7.161 -23.713 6.348 1.00 0.00 H new ATOM 0 HG CYS A 93 -5.836 -24.162 8.566 1.00 0.00 H new ATOM 1438 N GLU A 94 -3.589 -25.351 4.927 1.00 0.00 N ATOM 1439 CA GLU A 94 -2.762 -26.563 4.949 1.00 0.00 C ATOM 1440 C GLU A 94 -2.839 -27.306 6.290 1.00 0.00 C ATOM 1441 O GLU A 94 -2.594 -28.515 6.353 1.00 0.00 O ATOM 1442 CB GLU A 94 -1.297 -26.231 4.631 1.00 0.00 C ATOM 1443 CG GLU A 94 -1.165 -25.572 3.251 1.00 0.00 C ATOM 1444 CD GLU A 94 0.278 -25.570 2.690 1.00 0.00 C ATOM 1445 OE1 GLU A 94 1.256 -25.864 3.422 1.00 0.00 O ATOM 1446 OE2 GLU A 94 0.444 -25.297 1.475 1.00 0.00 O ATOM 0 H GLU A 94 -3.045 -24.492 4.844 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.164 -27.222 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.898 -25.564 5.395 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.700 -27.142 4.660 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.817 -26.091 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.520 -24.544 3.315 1.00 0.00 H new ATOM 1453 N LYS A 95 -3.210 -26.585 7.354 1.00 0.00 N ATOM 1454 CA LYS A 95 -3.504 -27.154 8.683 1.00 0.00 C ATOM 1455 C LYS A 95 -4.940 -27.668 8.786 1.00 0.00 C ATOM 1456 O LYS A 95 -5.156 -28.819 9.175 1.00 0.00 O ATOM 1457 CB LYS A 95 -3.273 -26.115 9.780 1.00 0.00 C ATOM 1458 CG LYS A 95 -1.802 -25.715 9.905 1.00 0.00 C ATOM 1459 CD LYS A 95 -1.621 -24.568 10.898 1.00 0.00 C ATOM 1460 CE LYS A 95 -2.057 -24.915 12.325 1.00 0.00 C ATOM 1461 NZ LYS A 95 -1.118 -25.853 12.992 1.00 0.00 N ATOM 0 H LYS A 95 -3.318 -25.571 7.320 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.824 -27.996 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.871 -25.228 9.568 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.620 -26.514 10.733 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.215 -26.575 10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.420 -25.417 8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.572 -24.271 10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.192 -23.706 10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.130 -24.000 12.912 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -3.053 -25.358 12.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.456 -26.057 13.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.067 -26.738 12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -0.173 -25.422 13.041 1.00 0.00 H new ATOM 1475 N CYS A 96 -5.904 -26.805 8.464 1.00 0.00 N ATOM 1476 CA CYS A 96 -7.343 -27.023 8.599 1.00 0.00 C ATOM 1477 C CYS A 96 -8.066 -26.840 7.244 1.00 0.00 C ATOM 1478 O CYS A 96 -8.122 -25.758 6.673 1.00 0.00 O ATOM 1479 CB CYS A 96 -7.887 -26.217 9.802 1.00 0.00 C ATOM 1480 SG CYS A 96 -8.076 -24.436 9.571 1.00 0.00 S ATOM 0 H CYS A 96 -5.689 -25.884 8.081 1.00 0.00 H new ATOM 0 HA CYS A 96 -7.561 -28.061 8.850 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -8.858 -26.629 10.075 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -7.221 -26.381 10.649 1.00 0.00 H new ATOM 0 HG CYS A 96 -7.066 -23.819 10.109 1.00 0.00 H new ATOM 1485 N HIS A 97 -8.555 -27.949 6.685 1.00 0.00 N ATOM 1486 CA HIS A 97 -9.125 -28.120 5.338 1.00 0.00 C ATOM 1487 C HIS A 97 -10.431 -27.333 5.041 1.00 0.00 C ATOM 1488 O HIS A 97 -11.461 -27.891 4.653 1.00 0.00 O ATOM 1489 CB HIS A 97 -9.251 -29.625 5.049 1.00 0.00 C ATOM 1490 CG HIS A 97 -10.179 -30.387 5.977 1.00 0.00 C ATOM 1491 ND1 HIS A 97 -10.022 -30.566 7.329 1.00 0.00 N flip ATOM 1492 CD2 HIS A 97 -11.346 -31.021 5.610 1.00 0.00 C flip ATOM 1493 CE1 HIS A 97 -11.112 -31.319 7.785 1.00 0.00 C flip ATOM 1494 NE2 HIS A 97 -11.886 -31.570 6.713 1.00 0.00 N flip ATOM 0 H HIS A 97 -8.565 -28.827 7.203 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.427 -27.656 4.640 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -9.602 -29.754 4.025 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.259 -30.073 5.105 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -11.755 -31.069 4.612 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.296 -31.637 8.801 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -12.757 -32.100 6.734 1.00 0.00 H new ATOM 1502 N SER A 98 -10.360 -26.010 5.165 1.00 0.00 N ATOM 1503 CA SER A 98 -11.391 -25.003 4.885 1.00 0.00 C ATOM 1504 C SER A 98 -10.769 -23.778 4.195 1.00 0.00 C ATOM 1505 O SER A 98 -9.552 -23.583 4.225 1.00 0.00 O ATOM 1506 CB SER A 98 -12.071 -24.579 6.197 1.00 0.00 C ATOM 1507 OG SER A 98 -12.794 -25.653 6.784 1.00 0.00 O ATOM 0 H SER A 98 -9.501 -25.571 5.495 1.00 0.00 H new ATOM 0 HA SER A 98 -12.136 -25.436 4.218 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.318 -24.221 6.898 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.748 -23.747 6.004 1.00 0.00 H new ATOM 0 HG SER A 98 -13.212 -25.349 7.617 1.00 0.00 H new ATOM 1513 N LYS A 99 -11.603 -22.935 3.571 1.00 0.00 N ATOM 1514 CA LYS A 99 -11.201 -21.750 2.776 1.00 0.00 C ATOM 1515 C LYS A 99 -11.484 -20.419 3.499 1.00 0.00 C ATOM 1516 O LYS A 99 -11.662 -19.375 2.875 1.00 0.00 O ATOM 1517 CB LYS A 99 -11.830 -21.828 1.369 1.00 0.00 C ATOM 1518 CG LYS A 99 -11.399 -23.097 0.615 1.00 0.00 C ATOM 1519 CD LYS A 99 -11.892 -23.105 -0.836 1.00 0.00 C ATOM 1520 CE LYS A 99 -11.444 -24.400 -1.526 1.00 0.00 C ATOM 1521 NZ LYS A 99 -11.916 -24.464 -2.935 1.00 0.00 N ATOM 0 H LYS A 99 -12.615 -23.058 3.603 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.118 -21.767 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.916 -21.809 1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.541 -20.949 0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.312 -23.173 0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.786 -23.974 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.979 -23.025 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.496 -22.241 -1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.356 -24.467 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.828 -25.258 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.594 -25.353 -3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.955 -24.425 -2.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.529 -23.659 -3.468 1.00 0.00 H new ATOM 1535 N ASN A 100 -11.533 -20.464 4.833 1.00 0.00 N ATOM 1536 CA ASN A 100 -11.845 -19.362 5.756 1.00 0.00 C ATOM 1537 C ASN A 100 -10.787 -18.234 5.838 1.00 0.00 C ATOM 1538 O ASN A 100 -10.970 -17.285 6.602 1.00 0.00 O ATOM 1539 CB ASN A 100 -12.079 -19.984 7.147 1.00 0.00 C ATOM 1540 CG ASN A 100 -10.820 -20.625 7.708 1.00 0.00 C ATOM 1541 OD1 ASN A 100 -10.570 -21.802 7.514 1.00 0.00 O ATOM 1542 ND2 ASN A 100 -9.984 -19.860 8.372 1.00 0.00 N ATOM 0 H ASN A 100 -11.343 -21.331 5.335 1.00 0.00 H new ATOM 0 HA ASN A 100 -12.729 -18.857 5.366 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -12.429 -19.213 7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -12.868 -20.734 7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -9.113 -20.249 8.733 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -10.206 -18.877 8.527 1.00 0.00 H new ATOM 1549 N VAL A 101 -9.661 -18.356 5.128 1.00 0.00 N ATOM 1550 CA VAL A 101 -8.522 -17.422 5.140 1.00 0.00 C ATOM 1551 C VAL A 101 -8.897 -15.962 4.834 1.00 0.00 C ATOM 1552 O VAL A 101 -9.856 -15.685 4.107 1.00 0.00 O ATOM 1553 CB VAL A 101 -7.419 -17.882 4.161 1.00 0.00 C ATOM 1554 CG1 VAL A 101 -6.758 -19.181 4.631 1.00 0.00 C ATOM 1555 CG2 VAL A 101 -7.923 -18.103 2.726 1.00 0.00 C ATOM 0 H VAL A 101 -9.508 -19.144 4.499 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.152 -17.443 6.165 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.699 -17.063 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.987 -19.475 3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.306 -19.026 5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.509 -19.968 4.698 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -7.095 -18.425 2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.698 -18.870 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.335 -17.172 2.337 1.00 0.00 H new ATOM 1565 N ILE A 102 -8.092 -15.026 5.344 1.00 0.00 N ATOM 1566 CA ILE A 102 -8.180 -13.577 5.093 1.00 0.00 C ATOM 1567 C ILE A 102 -6.830 -12.986 4.662 1.00 0.00 C ATOM 1568 O ILE A 102 -5.764 -13.520 4.970 1.00 0.00 O ATOM 1569 CB ILE A 102 -8.753 -12.807 6.305 1.00 0.00 C ATOM 1570 CG1 ILE A 102 -7.900 -12.892 7.594 1.00 0.00 C ATOM 1571 CG2 ILE A 102 -10.230 -13.169 6.541 1.00 0.00 C ATOM 1572 CD1 ILE A 102 -8.072 -14.147 8.464 1.00 0.00 C ATOM 0 H ILE A 102 -7.325 -15.264 5.972 1.00 0.00 H new ATOM 0 HA ILE A 102 -8.878 -13.453 4.265 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.702 -11.752 6.035 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.850 -12.818 7.311 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -8.127 -12.021 8.208 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.608 -12.613 7.399 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -10.813 -12.912 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -10.316 -14.238 6.734 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -7.418 -14.079 9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.108 -14.222 8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -7.812 -15.031 7.882 1.00 0.00 H new ATOM 1584 N ILE A 103 -6.871 -11.864 3.938 1.00 0.00 N ATOM 1585 CA ILE A 103 -5.700 -11.206 3.357 1.00 0.00 C ATOM 1586 C ILE A 103 -4.962 -10.452 4.472 1.00 0.00 C ATOM 1587 O ILE A 103 -5.461 -9.452 4.993 1.00 0.00 O ATOM 1588 CB ILE A 103 -6.089 -10.280 2.178 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -6.803 -10.970 0.989 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -4.797 -9.669 1.616 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -8.264 -11.380 1.219 1.00 0.00 C ATOM 0 H ILE A 103 -7.743 -11.376 3.735 1.00 0.00 H new ATOM 0 HA ILE A 103 -5.032 -11.955 2.933 1.00 0.00 H new ATOM 0 HB ILE A 103 -6.794 -9.560 2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -6.767 -10.298 0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -6.236 -11.861 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -5.039 -9.010 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -4.295 -9.097 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -4.138 -10.466 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -8.656 -11.852 0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.318 -12.083 2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.857 -10.496 1.453 1.00 0.00 H new ATOM 1603 N THR A 104 -3.781 -10.940 4.854 1.00 0.00 N ATOM 1604 CA THR A 104 -2.963 -10.382 5.948 1.00 0.00 C ATOM 1605 C THR A 104 -1.980 -9.297 5.468 1.00 0.00 C ATOM 1606 O THR A 104 -1.349 -8.602 6.266 1.00 0.00 O ATOM 1607 CB THR A 104 -2.248 -11.529 6.688 1.00 0.00 C ATOM 1608 OG1 THR A 104 -1.797 -11.123 7.957 1.00 0.00 O ATOM 1609 CG2 THR A 104 -1.072 -12.158 5.942 1.00 0.00 C ATOM 0 H THR A 104 -3.352 -11.750 4.407 1.00 0.00 H new ATOM 0 HA THR A 104 -3.629 -9.873 6.645 1.00 0.00 H new ATOM 0 HB THR A 104 -3.020 -12.295 6.770 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.490 -11.308 8.625 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.640 -12.954 6.549 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.421 -12.572 4.996 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.315 -11.398 5.748 1.00 0.00 H new ATOM 1617 N GLN A 105 -1.847 -9.142 4.146 1.00 0.00 N ATOM 1618 CA GLN A 105 -0.832 -8.349 3.453 1.00 0.00 C ATOM 1619 C GLN A 105 -1.358 -8.028 2.052 1.00 0.00 C ATOM 1620 O GLN A 105 -1.769 -8.936 1.330 1.00 0.00 O ATOM 1621 CB GLN A 105 0.462 -9.189 3.404 1.00 0.00 C ATOM 1622 CG GLN A 105 1.505 -8.803 2.345 1.00 0.00 C ATOM 1623 CD GLN A 105 1.996 -7.357 2.422 1.00 0.00 C ATOM 1624 OE1 GLN A 105 2.315 -6.826 3.477 1.00 0.00 O ATOM 1625 NE2 GLN A 105 2.070 -6.675 1.302 1.00 0.00 N ATOM 0 H GLN A 105 -2.486 -9.596 3.493 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.618 -7.408 3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.938 -9.135 4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 105 0.184 -10.230 3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.363 -9.468 2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.079 -8.974 1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.805 -7.113 0.420 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.392 -5.707 1.314 1.00 0.00 H new ATOM 1634 N GLY A 106 -1.356 -6.752 1.665 1.00 0.00 N ATOM 1635 CA GLY A 106 -1.710 -6.310 0.313 1.00 0.00 C ATOM 1636 C GLY A 106 -3.215 -6.258 0.002 1.00 0.00 C ATOM 1637 O GLY A 106 -3.597 -6.209 -1.168 1.00 0.00 O ATOM 0 H GLY A 106 -1.105 -5.985 2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -1.290 -5.317 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -1.232 -6.977 -0.404 1.00 0.00 H new ATOM 1641 N ASN A 107 -4.073 -6.271 1.028 1.00 0.00 N ATOM 1642 CA ASN A 107 -5.535 -6.167 0.895 1.00 0.00 C ATOM 1643 C ASN A 107 -5.987 -4.810 0.308 1.00 0.00 C ATOM 1644 O ASN A 107 -7.009 -4.717 -0.373 1.00 0.00 O ATOM 1645 CB ASN A 107 -6.148 -6.394 2.291 1.00 0.00 C ATOM 1646 CG ASN A 107 -7.622 -6.775 2.276 1.00 0.00 C ATOM 1647 OD1 ASN A 107 -8.226 -7.089 1.260 1.00 0.00 O ATOM 1648 ND2 ASN A 107 -8.241 -6.803 3.432 1.00 0.00 N ATOM 0 H ASN A 107 -3.766 -6.356 1.997 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.882 -6.922 0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.587 -7.180 2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.026 -5.485 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.220 -7.085 3.480 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.743 -6.542 4.283 1.00 0.00 H new ATOM 1655 N GLU A 108 -5.210 -3.757 0.571 1.00 0.00 N ATOM 1656 CA GLU A 108 -5.382 -2.386 0.078 1.00 0.00 C ATOM 1657 C GLU A 108 -4.021 -1.707 -0.179 1.00 0.00 C ATOM 1658 O GLU A 108 -2.966 -2.249 0.174 1.00 0.00 O ATOM 1659 CB GLU A 108 -6.252 -1.593 1.071 1.00 0.00 C ATOM 1660 CG GLU A 108 -5.650 -1.447 2.478 1.00 0.00 C ATOM 1661 CD GLU A 108 -6.626 -0.712 3.418 1.00 0.00 C ATOM 1662 OE1 GLU A 108 -6.684 0.542 3.389 1.00 0.00 O ATOM 1663 OE2 GLU A 108 -7.342 -1.383 4.201 1.00 0.00 O ATOM 0 H GLU A 108 -4.391 -3.843 1.173 1.00 0.00 H new ATOM 0 HA GLU A 108 -5.895 -2.410 -0.883 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -6.431 -0.599 0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -7.222 -2.083 1.155 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.420 -2.432 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.710 -0.898 2.421 1.00 0.00 H new ATOM 1670 N MET A 109 -4.028 -0.517 -0.790 1.00 0.00 N ATOM 1671 CA MET A 109 -2.821 0.296 -1.005 1.00 0.00 C ATOM 1672 C MET A 109 -2.258 0.917 0.288 1.00 0.00 C ATOM 1673 O MET A 109 -2.934 0.985 1.320 1.00 0.00 O ATOM 1674 CB MET A 109 -3.100 1.372 -2.067 1.00 0.00 C ATOM 1675 CG MET A 109 -4.026 2.501 -1.596 1.00 0.00 C ATOM 1676 SD MET A 109 -3.214 3.901 -0.771 1.00 0.00 S ATOM 1677 CE MET A 109 -2.516 4.731 -2.221 1.00 0.00 C ATOM 0 H MET A 109 -4.878 -0.086 -1.153 1.00 0.00 H new ATOM 0 HA MET A 109 -2.043 -0.377 -1.365 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.152 1.805 -2.386 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.543 0.896 -2.942 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.573 2.880 -2.459 1.00 0.00 H new ATOM 0 HG3 MET A 109 -4.763 2.079 -0.912 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.860 5.539 -1.897 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.945 4.014 -2.811 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.323 5.141 -2.829 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.019 1.416 0.211 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.310 2.169 1.261 1.00 0.00 C ATOM 1689 C ARG A 110 0.763 3.082 0.662 1.00 0.00 C ATOM 1690 O ARG A 110 1.402 2.710 -0.319 1.00 0.00 O ATOM 1691 CB ARG A 110 0.321 1.184 2.271 1.00 0.00 C ATOM 1692 CG ARG A 110 1.303 0.172 1.639 1.00 0.00 C ATOM 1693 CD ARG A 110 1.897 -0.792 2.670 1.00 0.00 C ATOM 1694 NE ARG A 110 2.785 -0.102 3.628 1.00 0.00 N ATOM 1695 CZ ARG A 110 3.408 -0.647 4.658 1.00 0.00 C ATOM 1696 NH1 ARG A 110 3.315 -1.919 4.930 1.00 0.00 N ATOM 1697 NH2 ARG A 110 4.146 0.083 5.443 1.00 0.00 N ATOM 0 H ARG A 110 -0.451 1.301 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.031 2.802 1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.847 1.754 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.476 0.635 2.773 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.785 -0.399 0.869 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.110 0.714 1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.090 -1.283 3.213 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.457 -1.573 2.155 1.00 0.00 H new ATOM 0 HE ARG A 110 2.932 0.896 3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.748 -2.527 4.339 1.00 0.00 H new ATOM 0 HH12 ARG A 110 3.810 -2.306 5.734 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.246 1.082 5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 110 4.624 -0.344 6.236 1.00 0.00 H new ATOM 1711 N LEU A 111 1.033 4.238 1.269 1.00 0.00 N ATOM 1712 CA LEU A 111 2.265 4.984 0.973 1.00 0.00 C ATOM 1713 C LEU A 111 3.507 4.260 1.534 1.00 0.00 C ATOM 1714 O LEU A 111 3.415 3.520 2.518 1.00 0.00 O ATOM 1715 CB LEU A 111 2.153 6.458 1.420 1.00 0.00 C ATOM 1716 CG LEU A 111 2.338 6.776 2.918 1.00 0.00 C ATOM 1717 CD1 LEU A 111 2.273 8.293 3.112 1.00 0.00 C ATOM 1718 CD2 LEU A 111 1.273 6.141 3.815 1.00 0.00 C ATOM 0 H LEU A 111 0.426 4.677 1.961 1.00 0.00 H new ATOM 0 HA LEU A 111 2.399 5.012 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.892 7.033 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.171 6.825 1.119 1.00 0.00 H new ATOM 0 HG LEU A 111 3.303 6.360 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.403 8.531 4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.065 8.768 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.305 8.662 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 111 1.467 6.407 4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.288 6.506 3.524 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.305 5.057 3.706 1.00 0.00 H new ATOM 1730 N LEU A 112 4.665 4.490 0.913 1.00 0.00 N ATOM 1731 CA LEU A 112 5.961 3.885 1.259 1.00 0.00 C ATOM 1732 C LEU A 112 6.947 4.952 1.767 1.00 0.00 C ATOM 1733 O LEU A 112 7.456 4.833 2.882 1.00 0.00 O ATOM 1734 CB LEU A 112 6.512 3.102 0.044 1.00 0.00 C ATOM 1735 CG LEU A 112 6.322 1.574 0.103 1.00 0.00 C ATOM 1736 CD1 LEU A 112 4.878 1.144 0.364 1.00 0.00 C ATOM 1737 CD2 LEU A 112 6.765 0.960 -1.228 1.00 0.00 C ATOM 0 H LEU A 112 4.733 5.129 0.121 1.00 0.00 H new ATOM 0 HA LEU A 112 5.824 3.177 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.029 3.477 -0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.577 3.316 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 112 6.926 1.223 0.940 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.822 0.056 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.545 1.549 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.237 1.520 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.633 -0.121 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.163 1.372 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.816 1.191 -1.404 1.00 0.00 H new ATOM 1749 N SER A 113 7.208 5.992 0.967 1.00 0.00 N ATOM 1750 CA SER A 113 8.041 7.152 1.334 1.00 0.00 C ATOM 1751 C SER A 113 7.745 8.367 0.442 1.00 0.00 C ATOM 1752 O SER A 113 7.087 8.232 -0.592 1.00 0.00 O ATOM 1753 CB SER A 113 9.528 6.779 1.224 1.00 0.00 C ATOM 1754 OG SER A 113 10.326 7.745 1.889 1.00 0.00 O ATOM 0 H SER A 113 6.837 6.056 0.019 1.00 0.00 H new ATOM 0 HA SER A 113 7.802 7.424 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.697 5.795 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 113 9.818 6.717 0.175 1.00 0.00 H new ATOM 0 HG SER A 113 11.271 7.496 1.814 1.00 0.00 H new ATOM 1760 N LEU A 114 8.259 9.547 0.802 1.00 0.00 N ATOM 1761 CA LEU A 114 8.213 10.779 0.005 1.00 0.00 C ATOM 1762 C LEU A 114 9.637 11.329 -0.169 1.00 0.00 C ATOM 1763 O LEU A 114 10.259 11.787 0.792 1.00 0.00 O ATOM 1764 CB LEU A 114 7.295 11.854 0.630 1.00 0.00 C ATOM 1765 CG LEU A 114 5.949 11.398 1.231 1.00 0.00 C ATOM 1766 CD1 LEU A 114 5.283 12.578 1.941 1.00 0.00 C ATOM 1767 CD2 LEU A 114 4.964 10.874 0.190 1.00 0.00 C ATOM 0 H LEU A 114 8.738 9.676 1.693 1.00 0.00 H new ATOM 0 HA LEU A 114 7.788 10.529 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 114 7.858 12.358 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 114 7.083 12.599 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 114 6.184 10.583 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.332 12.257 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.934 12.937 2.738 1.00 0.00 H new ATOM 0 HD13 LEU A 114 5.108 13.381 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 114 4.040 10.571 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 114 4.748 11.659 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.399 10.016 -0.323 1.00 0.00 H new ATOM 1779 N GLU A 115 10.171 11.280 -1.387 1.00 0.00 N ATOM 1780 CA GLU A 115 11.426 11.951 -1.734 1.00 0.00 C ATOM 1781 C GLU A 115 11.161 13.447 -1.952 1.00 0.00 C ATOM 1782 O GLU A 115 10.241 13.817 -2.688 1.00 0.00 O ATOM 1783 CB GLU A 115 12.048 11.342 -3.003 1.00 0.00 C ATOM 1784 CG GLU A 115 12.366 9.841 -2.902 1.00 0.00 C ATOM 1785 CD GLU A 115 13.350 9.504 -1.763 1.00 0.00 C ATOM 1786 OE1 GLU A 115 14.393 10.190 -1.625 1.00 0.00 O ATOM 1787 OE2 GLU A 115 13.105 8.531 -1.008 1.00 0.00 O ATOM 0 H GLU A 115 9.747 10.774 -2.164 1.00 0.00 H new ATOM 0 HA GLU A 115 12.130 11.815 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 115 11.366 11.500 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 115 12.967 11.880 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.439 9.289 -2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.786 9.501 -3.849 1.00 0.00 H new ATOM 1794 N MET A 116 11.979 14.309 -1.348 1.00 0.00 N ATOM 1795 CA MET A 116 11.971 15.764 -1.538 1.00 0.00 C ATOM 1796 C MET A 116 13.325 16.258 -2.060 1.00 0.00 C ATOM 1797 O MET A 116 14.377 15.701 -1.734 1.00 0.00 O ATOM 1798 CB MET A 116 11.610 16.459 -0.216 1.00 0.00 C ATOM 1799 CG MET A 116 10.161 16.174 0.192 1.00 0.00 C ATOM 1800 SD MET A 116 9.687 16.894 1.783 1.00 0.00 S ATOM 1801 CE MET A 116 7.940 16.437 1.764 1.00 0.00 C ATOM 0 H MET A 116 12.694 14.004 -0.687 1.00 0.00 H new ATOM 0 HA MET A 116 11.218 16.014 -2.286 1.00 0.00 H new ATOM 0 HB2 MET A 116 12.284 16.119 0.570 1.00 0.00 H new ATOM 0 HB3 MET A 116 11.755 17.534 -0.318 1.00 0.00 H new ATOM 0 HG2 MET A 116 9.495 16.557 -0.581 1.00 0.00 H new ATOM 0 HG3 MET A 116 10.012 15.095 0.235 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.460 16.796 2.675 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.456 16.887 0.897 1.00 0.00 H new ATOM 0 HE3 MET A 116 7.848 15.352 1.709 1.00 0.00 H new ATOM 1811 N LEU A 117 13.298 17.318 -2.872 1.00 0.00 N ATOM 1812 CA LEU A 117 14.495 17.975 -3.407 1.00 0.00 C ATOM 1813 C LEU A 117 15.310 18.690 -2.305 1.00 0.00 C ATOM 1814 O LEU A 117 14.832 18.883 -1.185 1.00 0.00 O ATOM 1815 CB LEU A 117 14.070 18.930 -4.549 1.00 0.00 C ATOM 1816 CG LEU A 117 14.460 18.416 -5.947 1.00 0.00 C ATOM 1817 CD1 LEU A 117 13.827 19.303 -7.020 1.00 0.00 C ATOM 1818 CD2 LEU A 117 15.977 18.426 -6.165 1.00 0.00 C ATOM 0 H LEU A 117 12.429 17.752 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 117 15.169 17.220 -3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 117 12.990 19.074 -4.510 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.528 19.906 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 117 14.100 17.390 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU A 117 14.106 18.935 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 117 12.742 19.280 -6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.181 20.327 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 117 16.203 18.055 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 117 16.353 19.444 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 117 16.455 17.786 -5.424 1.00 0.00 H new