USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 581 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 43 SER OG : rot -18:sc= 1.93 USER MOD Set 1.2: A 45 LYS NZ :NH3+ -165:sc= 1.17 (180deg=-0.561) USER MOD Single : A 4 TYR OH : rot -74:sc= 0.0143 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.329 F(o=-4.8!,f=-0.33) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -146:sc= -0.147 (180deg=-0.66) USER MOD Single : A 17 LYS NZ :NH3+ -101:sc= -3.07! (180deg=-6.89!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -14:sc= -1.39 USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= -0.213 (180deg=-0.953) USER MOD Single : A 31 ASN : amide:sc= -1.24 K(o=-1.2,f=-3.3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.13) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.0809 (180deg=-0.633) USER MOD Single : A 41 TYR OH : rot 40:sc= -0.446 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= -0.0672 (180deg=-0.629) USER MOD Single : A 50 LYS NZ :NH3+ -142:sc= -0.568 (180deg=-1.14) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.0741 (180deg=-0.629) USER MOD Single : A 60 LYS NZ :NH3+ -143:sc= -0.081 (180deg=-0.69) USER MOD Single : A 62 LYS NZ :NH3+ -162:sc= -0.0518 (180deg=-0.589) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD ----------------------------------------------------------------- ATOM 24 N ILE A 3 -1.205 -7.677 4.740 1.00 1.00 N ATOM 25 CA ILE A 3 -0.411 -8.499 3.829 1.00 1.00 C ATOM 26 C ILE A 3 -1.267 -8.993 2.667 1.00 1.00 C ATOM 27 O ILE A 3 -0.753 -9.603 1.730 1.00 1.00 O ATOM 28 CB ILE A 3 0.196 -9.704 4.591 1.00 1.00 C ATOM 29 CG1 ILE A 3 -0.925 -10.449 5.366 1.00 1.00 C ATOM 30 CG2 ILE A 3 1.276 -9.204 5.575 1.00 1.00 C ATOM 31 CD1 ILE A 3 -0.381 -11.747 5.982 1.00 1.00 C ATOM 0 HA ILE A 3 0.397 -7.888 3.428 1.00 1.00 H new ATOM 0 HB ILE A 3 0.654 -10.391 3.879 1.00 1.00 H new ATOM 0 HG12 ILE A 3 -1.322 -9.805 6.151 1.00 1.00 H new ATOM 0 HG13 ILE A 3 -1.751 -10.677 4.693 1.00 1.00 H new ATOM 0 HG21 ILE A 3 1.702 -10.053 6.110 1.00 1.00 H new ATOM 0 HG22 ILE A 3 2.063 -8.692 5.022 1.00 1.00 H new ATOM 0 HG23 ILE A 3 0.826 -8.514 6.289 1.00 1.00 H new ATOM 0 HD11 ILE A 3 -1.180 -12.256 6.521 1.00 1.00 H new ATOM 0 HD12 ILE A 3 -0.006 -12.396 5.191 1.00 1.00 H new ATOM 0 HD13 ILE A 3 0.429 -11.511 6.672 1.00 1.00 H new ATOM 43 N TYR A 4 -2.580 -8.740 2.738 1.00 1.00 N ATOM 44 CA TYR A 4 -3.505 -9.183 1.685 1.00 1.00 C ATOM 45 C TYR A 4 -4.641 -8.167 1.498 1.00 1.00 C ATOM 46 O TYR A 4 -5.383 -7.871 2.433 1.00 1.00 O ATOM 47 CB TYR A 4 -4.078 -10.563 2.076 1.00 1.00 C ATOM 48 CG TYR A 4 -4.697 -11.238 0.854 1.00 1.00 C ATOM 49 CD1 TYR A 4 -3.895 -12.023 0.012 1.00 1.00 C ATOM 50 CD2 TYR A 4 -6.059 -11.065 0.559 1.00 1.00 C ATOM 51 CE1 TYR A 4 -4.453 -12.638 -1.114 1.00 1.00 C ATOM 52 CE2 TYR A 4 -6.614 -11.680 -0.566 1.00 1.00 C ATOM 53 CZ TYR A 4 -5.813 -12.464 -1.404 1.00 1.00 C ATOM 54 OH TYR A 4 -6.366 -13.070 -2.514 1.00 1.00 O ATOM 0 H TYR A 4 -3.024 -8.236 3.506 1.00 1.00 H new ATOM 0 HA TYR A 4 -2.968 -9.261 0.740 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -3.287 -11.191 2.487 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -4.830 -10.446 2.856 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -2.846 -12.153 0.233 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -6.678 -10.456 1.202 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -3.836 -13.246 -1.759 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -7.663 -11.550 -0.789 1.00 1.00 H new ATOM 0 HH TYR A 4 -6.081 -12.594 -3.322 1.00 1.00 H new ATOM 64 N ALA A 5 -4.770 -7.645 0.273 1.00 1.00 N ATOM 65 CA ALA A 5 -5.816 -6.672 -0.051 1.00 1.00 C ATOM 66 C ALA A 5 -7.159 -7.383 -0.218 1.00 1.00 C ATOM 67 O ALA A 5 -7.435 -7.965 -1.267 1.00 1.00 O ATOM 68 CB ALA A 5 -5.444 -5.948 -1.349 1.00 1.00 C ATOM 0 H ALA A 5 -4.161 -7.881 -0.511 1.00 1.00 H new ATOM 0 HA ALA A 5 -5.902 -5.948 0.759 1.00 1.00 H new ATOM 0 HB1 ALA A 5 -6.219 -5.222 -1.596 1.00 1.00 H new ATOM 0 HB2 ALA A 5 -4.492 -5.433 -1.218 1.00 1.00 H new ATOM 0 HB3 ALA A 5 -5.356 -6.673 -2.158 1.00 1.00 H new ATOM 74 N SER A 6 -7.996 -7.328 0.825 1.00 1.00 N ATOM 75 CA SER A 6 -9.326 -7.963 0.807 1.00 1.00 C ATOM 76 C SER A 6 -10.389 -6.976 0.328 1.00 1.00 C ATOM 77 O SER A 6 -11.462 -7.376 -0.125 1.00 1.00 O ATOM 78 CB SER A 6 -9.676 -8.444 2.220 1.00 1.00 C ATOM 79 OG SER A 6 -8.687 -9.362 2.662 1.00 1.00 O ATOM 0 H SER A 6 -7.777 -6.848 1.698 1.00 1.00 H new ATOM 0 HA SER A 6 -9.302 -8.809 0.120 1.00 1.00 H new ATOM 0 HB2 SER A 6 -9.732 -7.596 2.902 1.00 1.00 H new ATOM 0 HB3 SER A 6 -10.657 -8.920 2.222 1.00 1.00 H new ATOM 0 HG SER A 6 -8.907 -9.670 3.566 1.00 1.00 H new ATOM 85 N SER A 7 -10.081 -5.684 0.432 1.00 1.00 N ATOM 86 CA SER A 7 -11.010 -4.633 0.005 1.00 1.00 C ATOM 87 C SER A 7 -10.278 -3.304 -0.104 1.00 1.00 C ATOM 88 O SER A 7 -9.184 -3.141 0.435 1.00 1.00 O ATOM 89 CB SER A 7 -12.163 -4.510 1.003 1.00 1.00 C ATOM 90 OG SER A 7 -11.650 -4.089 2.260 1.00 1.00 O ATOM 0 H SER A 7 -9.198 -5.338 0.807 1.00 1.00 H new ATOM 0 HA SER A 7 -11.415 -4.899 -0.972 1.00 1.00 H new ATOM 0 HB2 SER A 7 -12.900 -3.794 0.639 1.00 1.00 H new ATOM 0 HB3 SER A 7 -12.673 -5.467 1.107 1.00 1.00 H new ATOM 0 HG SER A 7 -12.385 -4.007 2.903 1.00 1.00 H new ATOM 96 N VAL A 8 -10.899 -2.346 -0.795 1.00 1.00 N ATOM 97 CA VAL A 8 -10.325 -1.003 -0.978 1.00 1.00 C ATOM 98 C VAL A 8 -11.447 0.036 -0.962 1.00 1.00 C ATOM 99 O VAL A 8 -12.540 -0.215 -1.466 1.00 1.00 O ATOM 100 CB VAL A 8 -9.546 -0.924 -2.316 1.00 1.00 C ATOM 101 CG1 VAL A 8 -8.321 -1.861 -2.276 1.00 1.00 C ATOM 102 CG2 VAL A 8 -10.467 -1.322 -3.490 1.00 1.00 C ATOM 0 H VAL A 8 -11.807 -2.473 -1.242 1.00 1.00 H new ATOM 0 HA VAL A 8 -9.630 -0.799 -0.163 1.00 1.00 H new ATOM 0 HB VAL A 8 -9.205 0.101 -2.460 1.00 1.00 H new ATOM 0 HG11 VAL A 8 -7.782 -1.796 -3.221 1.00 1.00 H new ATOM 0 HG12 VAL A 8 -7.661 -1.563 -1.461 1.00 1.00 H new ATOM 0 HG13 VAL A 8 -8.653 -2.887 -2.117 1.00 1.00 H new ATOM 0 HG21 VAL A 8 -9.910 -1.263 -4.425 1.00 1.00 H new ATOM 0 HG22 VAL A 8 -10.823 -2.342 -3.343 1.00 1.00 H new ATOM 0 HG23 VAL A 8 -11.318 -0.642 -3.531 1.00 1.00 H new ATOM 112 N VAL A 9 -11.167 1.207 -0.379 1.00 1.00 N ATOM 113 CA VAL A 9 -12.155 2.299 -0.296 1.00 1.00 C ATOM 114 C VAL A 9 -11.955 3.264 -1.470 1.00 1.00 C ATOM 115 O VAL A 9 -10.835 3.662 -1.762 1.00 1.00 O ATOM 116 CB VAL A 9 -11.988 3.053 1.042 1.00 1.00 C ATOM 117 CG1 VAL A 9 -13.052 4.165 1.173 1.00 1.00 C ATOM 118 CG2 VAL A 9 -12.131 2.059 2.206 1.00 1.00 C ATOM 0 H VAL A 9 -10.265 1.427 0.044 1.00 1.00 H new ATOM 0 HA VAL A 9 -13.161 1.881 -0.345 1.00 1.00 H new ATOM 0 HB VAL A 9 -11.000 3.513 1.069 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -12.919 4.686 2.121 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -12.941 4.873 0.352 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -14.047 3.722 1.138 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -12.014 2.587 3.152 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -13.117 1.595 2.169 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -11.364 1.289 2.123 1.00 1.00 H new ATOM 128 N GLU A 10 -13.048 3.643 -2.130 1.00 1.00 N ATOM 129 CA GLU A 10 -12.982 4.575 -3.263 1.00 1.00 C ATOM 130 C GLU A 10 -12.254 5.868 -2.872 1.00 1.00 C ATOM 131 O GLU A 10 -11.976 6.092 -1.695 1.00 1.00 O ATOM 132 CB GLU A 10 -14.412 4.899 -3.742 1.00 1.00 C ATOM 133 CG GLU A 10 -15.255 5.450 -2.574 1.00 1.00 C ATOM 134 CD GLU A 10 -16.673 5.760 -3.050 1.00 1.00 C ATOM 135 OE1 GLU A 10 -17.437 4.827 -3.229 1.00 1.00 O ATOM 136 OE2 GLU A 10 -16.974 6.930 -3.227 1.00 1.00 O ATOM 0 H GLU A 10 -13.989 3.322 -1.903 1.00 1.00 H new ATOM 0 HA GLU A 10 -12.421 4.104 -4.070 1.00 1.00 H new ATOM 0 HB2 GLU A 10 -14.376 5.630 -4.550 1.00 1.00 H new ATOM 0 HB3 GLU A 10 -14.880 4.001 -4.146 1.00 1.00 H new ATOM 0 HG2 GLU A 10 -15.286 4.722 -1.763 1.00 1.00 H new ATOM 0 HG3 GLU A 10 -14.792 6.352 -2.175 1.00 1.00 H new ATOM 143 N ASN A 11 -11.947 6.701 -3.873 1.00 1.00 N ATOM 144 CA ASN A 11 -11.259 7.975 -3.646 1.00 1.00 C ATOM 145 C ASN A 11 -9.911 7.766 -2.940 1.00 1.00 C ATOM 146 O ASN A 11 -9.508 8.589 -2.117 1.00 1.00 O ATOM 147 CB ASN A 11 -12.142 8.909 -2.796 1.00 1.00 C ATOM 148 CG ASN A 11 -13.470 9.195 -3.500 1.00 1.00 C ATOM 149 OD1 ASN A 11 -14.255 8.205 -3.831 1.00 1.00 O flip ATOM 150 ND2 ASN A 11 -13.802 10.352 -3.750 1.00 1.00 N flip ATOM 0 H ASN A 11 -12.166 6.514 -4.852 1.00 1.00 H new ATOM 0 HA ASN A 11 -11.072 8.429 -4.619 1.00 1.00 H new ATOM 0 HB2 ASN A 11 -12.332 8.452 -1.825 1.00 1.00 H new ATOM 0 HB3 ASN A 11 -11.615 9.845 -2.611 1.00 1.00 H new ATOM 0 HD21 ASN A 11 -13.189 11.126 -3.492 1.00 1.00 H new ATOM 0 HD22 ASN A 11 -14.690 10.538 -4.216 1.00 1.00 H new ATOM 157 N MET A 12 -9.221 6.656 -3.256 1.00 1.00 N ATOM 158 CA MET A 12 -7.912 6.317 -2.644 1.00 1.00 C ATOM 159 C MET A 12 -6.836 6.206 -3.745 1.00 1.00 C ATOM 160 O MET A 12 -7.169 6.039 -4.919 1.00 1.00 O ATOM 161 CB MET A 12 -8.068 4.952 -1.915 1.00 1.00 C ATOM 162 CG MET A 12 -8.806 5.126 -0.569 1.00 1.00 C ATOM 163 SD MET A 12 -7.766 6.048 0.606 1.00 1.00 S ATOM 164 CE MET A 12 -6.888 4.648 1.348 1.00 1.00 C ATOM 0 H MET A 12 -9.547 5.970 -3.937 1.00 1.00 H new ATOM 0 HA MET A 12 -7.606 7.090 -1.939 1.00 1.00 H new ATOM 0 HB2 MET A 12 -8.619 4.258 -2.549 1.00 1.00 H new ATOM 0 HB3 MET A 12 -7.085 4.514 -1.741 1.00 1.00 H new ATOM 0 HG2 MET A 12 -9.745 5.656 -0.727 1.00 1.00 H new ATOM 0 HG3 MET A 12 -9.057 4.149 -0.155 1.00 1.00 H new ATOM 0 HE1 MET A 12 -6.193 5.014 2.104 1.00 1.00 H new ATOM 0 HE2 MET A 12 -7.607 3.972 1.812 1.00 1.00 H new ATOM 0 HE3 MET A 12 -6.335 4.114 0.575 1.00 1.00 H new ATOM 174 N PRO A 13 -5.558 6.302 -3.396 1.00 1.00 N ATOM 175 CA PRO A 13 -4.457 6.217 -4.386 1.00 1.00 C ATOM 176 C PRO A 13 -4.424 4.868 -5.090 1.00 1.00 C ATOM 177 O PRO A 13 -3.604 4.694 -5.986 1.00 1.00 O ATOM 178 CB PRO A 13 -3.168 6.524 -3.569 1.00 1.00 C ATOM 179 CG PRO A 13 -3.530 6.183 -2.157 1.00 1.00 C ATOM 180 CD PRO A 13 -5.018 6.529 -2.040 1.00 1.00 C ATOM 0 HA PRO A 13 -4.577 6.926 -5.205 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -2.325 5.927 -3.918 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -2.878 7.571 -3.663 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -3.351 5.129 -1.946 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -2.934 6.755 -1.446 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -5.516 5.898 -1.304 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -5.162 7.562 -1.723 1.00 1.00 H new ATOM 188 N ALA A 14 -5.265 3.901 -4.637 1.00 1.00 N ATOM 189 CA ALA A 14 -5.322 2.523 -5.201 1.00 1.00 C ATOM 190 C ALA A 14 -4.901 2.409 -6.690 1.00 1.00 C ATOM 191 O ALA A 14 -4.540 1.326 -7.148 1.00 1.00 O ATOM 192 CB ALA A 14 -6.730 1.942 -5.021 1.00 1.00 C ATOM 0 H ALA A 14 -5.922 4.053 -3.872 1.00 1.00 H new ATOM 0 HA ALA A 14 -4.584 1.950 -4.639 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -6.764 0.935 -5.436 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -6.976 1.906 -3.960 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -7.453 2.572 -5.539 1.00 1.00 H new ATOM 198 N LYS A 15 -4.877 3.529 -7.418 1.00 1.00 N ATOM 199 CA LYS A 15 -4.420 3.551 -8.801 1.00 1.00 C ATOM 200 C LYS A 15 -2.983 3.001 -8.874 1.00 1.00 C ATOM 201 O LYS A 15 -2.064 3.572 -8.286 1.00 1.00 O ATOM 202 CB LYS A 15 -4.423 5.021 -9.284 1.00 1.00 C ATOM 203 CG LYS A 15 -4.216 5.117 -10.832 1.00 1.00 C ATOM 204 CD LYS A 15 -3.649 6.498 -11.234 1.00 1.00 C ATOM 205 CE LYS A 15 -4.543 7.634 -10.700 1.00 1.00 C ATOM 206 NZ LYS A 15 -5.970 7.344 -11.019 1.00 1.00 N ATOM 0 H LYS A 15 -5.173 4.438 -7.063 1.00 1.00 H new ATOM 0 HA LYS A 15 -5.073 2.940 -9.425 1.00 1.00 H new ATOM 0 HB2 LYS A 15 -5.368 5.492 -9.012 1.00 1.00 H new ATOM 0 HB3 LYS A 15 -3.633 5.574 -8.775 1.00 1.00 H new ATOM 0 HG2 LYS A 15 -3.535 4.332 -11.160 1.00 1.00 H new ATOM 0 HG3 LYS A 15 -5.166 4.949 -11.340 1.00 1.00 H new ATOM 0 HD2 LYS A 15 -2.638 6.609 -10.841 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -3.578 6.565 -12.320 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -4.415 7.734 -9.622 1.00 1.00 H new ATOM 0 HE3 LYS A 15 -4.246 8.583 -11.146 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 -6.471 8.235 -11.208 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 -6.021 6.733 -11.859 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 -6.415 6.861 -10.212 1.00 1.00 H new ATOM 220 N GLY A 16 -2.800 1.891 -9.576 1.00 1.00 N ATOM 221 CA GLY A 16 -1.471 1.277 -9.696 1.00 1.00 C ATOM 222 C GLY A 16 -1.066 0.582 -8.390 1.00 1.00 C ATOM 223 O GLY A 16 -0.257 -0.344 -8.399 1.00 1.00 O ATOM 0 H GLY A 16 -3.543 1.396 -10.069 1.00 1.00 H new ATOM 0 HA2 GLY A 16 -1.473 0.554 -10.511 1.00 1.00 H new ATOM 0 HA3 GLY A 16 -0.735 2.040 -9.949 1.00 1.00 H new ATOM 227 N LYS A 17 -1.662 1.009 -7.270 1.00 1.00 N ATOM 228 CA LYS A 17 -1.429 0.437 -5.948 1.00 1.00 C ATOM 229 C LYS A 17 -2.144 -0.913 -5.889 1.00 1.00 C ATOM 230 O LYS A 17 -2.504 -1.489 -6.917 1.00 1.00 O ATOM 231 CB LYS A 17 -1.939 1.407 -4.812 1.00 1.00 C ATOM 232 CG LYS A 17 -0.794 1.896 -3.901 1.00 1.00 C ATOM 233 CD LYS A 17 -1.347 2.895 -2.861 1.00 1.00 C ATOM 234 CE LYS A 17 -0.204 3.391 -1.971 1.00 1.00 C ATOM 235 NZ LYS A 17 -0.736 4.328 -0.946 1.00 1.00 N ATOM 0 H LYS A 17 -2.332 1.778 -7.263 1.00 1.00 H new ATOM 0 HA LYS A 17 -0.361 0.298 -5.782 1.00 1.00 H new ATOM 0 HB2 LYS A 17 -2.432 2.267 -5.266 1.00 1.00 H new ATOM 0 HB3 LYS A 17 -2.687 0.894 -4.208 1.00 1.00 H new ATOM 0 HG2 LYS A 17 -0.331 1.048 -3.395 1.00 1.00 H new ATOM 0 HG3 LYS A 17 -0.018 2.372 -4.500 1.00 1.00 H new ATOM 0 HD2 LYS A 17 -1.821 3.737 -3.366 1.00 1.00 H new ATOM 0 HD3 LYS A 17 -2.114 2.416 -2.253 1.00 1.00 H new ATOM 0 HE2 LYS A 17 0.285 2.546 -1.486 1.00 1.00 H new ATOM 0 HE3 LYS A 17 0.551 3.891 -2.578 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 -0.542 5.307 -1.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 -1.763 4.192 -0.851 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 -0.276 4.141 -0.032 1.00 1.00 H new ATOM 249 N ILE A 18 -2.327 -1.398 -4.676 1.00 1.00 N ATOM 250 CA ILE A 18 -2.979 -2.667 -4.453 1.00 1.00 C ATOM 251 C ILE A 18 -4.427 -2.627 -4.930 1.00 1.00 C ATOM 252 O ILE A 18 -5.071 -1.579 -4.958 1.00 1.00 O ATOM 253 CB ILE A 18 -2.933 -2.970 -2.947 1.00 1.00 C ATOM 254 CG1 ILE A 18 -3.568 -1.801 -2.152 1.00 1.00 C ATOM 255 CG2 ILE A 18 -1.466 -3.154 -2.520 1.00 1.00 C ATOM 256 CD1 ILE A 18 -3.664 -2.159 -0.668 1.00 1.00 C ATOM 0 H ILE A 18 -2.028 -0.924 -3.824 1.00 1.00 H new ATOM 0 HA ILE A 18 -2.464 -3.445 -5.017 1.00 1.00 H new ATOM 0 HB ILE A 18 -3.495 -3.881 -2.740 1.00 1.00 H new ATOM 0 HG12 ILE A 18 -2.969 -0.899 -2.278 1.00 1.00 H new ATOM 0 HG13 ILE A 18 -4.561 -1.582 -2.545 1.00 1.00 H new ATOM 0 HG21 ILE A 18 -1.422 -3.370 -1.452 1.00 1.00 H new ATOM 0 HG22 ILE A 18 -1.026 -3.982 -3.076 1.00 1.00 H new ATOM 0 HG23 ILE A 18 -0.909 -2.241 -2.729 1.00 1.00 H new ATOM 0 HD11 ILE A 18 -4.112 -1.329 -0.122 1.00 1.00 H new ATOM 0 HD12 ILE A 18 -4.282 -3.048 -0.548 1.00 1.00 H new ATOM 0 HD13 ILE A 18 -2.666 -2.355 -0.276 1.00 1.00 H new ATOM 268 N GLU A 19 -4.900 -3.807 -5.309 1.00 1.00 N ATOM 269 CA GLU A 19 -6.257 -4.004 -5.812 1.00 1.00 C ATOM 270 C GLU A 19 -6.881 -5.199 -5.123 1.00 1.00 C ATOM 271 O GLU A 19 -6.224 -5.910 -4.364 1.00 1.00 O ATOM 272 CB GLU A 19 -6.223 -4.228 -7.329 1.00 1.00 C ATOM 273 CG GLU A 19 -5.583 -3.011 -8.018 1.00 1.00 C ATOM 274 CD GLU A 19 -5.527 -3.214 -9.535 1.00 1.00 C ATOM 275 OE1 GLU A 19 -6.047 -4.212 -10.015 1.00 1.00 O ATOM 276 OE2 GLU A 19 -4.956 -2.365 -10.200 1.00 1.00 O ATOM 0 H GLU A 19 -4.348 -4.664 -5.276 1.00 1.00 H new ATOM 0 HA GLU A 19 -6.854 -3.117 -5.602 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -5.656 -5.129 -7.561 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -7.234 -4.382 -7.706 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -6.156 -2.113 -7.787 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -4.577 -2.855 -7.630 1.00 1.00 H new ATOM 283 N VAL A 20 -8.159 -5.402 -5.385 1.00 1.00 N ATOM 284 CA VAL A 20 -8.896 -6.504 -4.778 1.00 1.00 C ATOM 285 C VAL A 20 -8.269 -7.855 -5.153 1.00 1.00 C ATOM 286 O VAL A 20 -8.228 -8.247 -6.317 1.00 1.00 O ATOM 287 CB VAL A 20 -10.393 -6.448 -5.219 1.00 1.00 C ATOM 288 CG1 VAL A 20 -11.147 -5.391 -4.385 1.00 1.00 C ATOM 289 CG2 VAL A 20 -10.500 -6.090 -6.726 1.00 1.00 C ATOM 0 H VAL A 20 -8.712 -4.820 -6.014 1.00 1.00 H new ATOM 0 HA VAL A 20 -8.844 -6.403 -3.694 1.00 1.00 H new ATOM 0 HB VAL A 20 -10.840 -7.428 -5.054 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -12.191 -5.357 -4.698 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -11.093 -5.655 -3.329 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -10.690 -4.413 -4.538 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -11.550 -6.055 -7.018 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -10.042 -5.117 -6.902 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -9.984 -6.847 -7.317 1.00 1.00 H new ATOM 299 N GLY A 21 -7.794 -8.561 -4.126 1.00 1.00 N ATOM 300 CA GLY A 21 -7.176 -9.879 -4.294 1.00 1.00 C ATOM 301 C GLY A 21 -5.658 -9.792 -4.430 1.00 1.00 C ATOM 302 O GLY A 21 -4.982 -10.820 -4.366 1.00 1.00 O ATOM 0 H GLY A 21 -7.826 -8.238 -3.159 1.00 1.00 H new ATOM 0 HA2 GLY A 21 -7.427 -10.507 -3.439 1.00 1.00 H new ATOM 0 HA3 GLY A 21 -7.591 -10.363 -5.178 1.00 1.00 H new ATOM 306 N ASP A 22 -5.094 -8.585 -4.615 1.00 1.00 N ATOM 307 CA ASP A 22 -3.645 -8.446 -4.747 1.00 1.00 C ATOM 308 C ASP A 22 -2.997 -8.538 -3.381 1.00 1.00 C ATOM 309 O ASP A 22 -3.672 -8.502 -2.352 1.00 1.00 O ATOM 310 CB ASP A 22 -3.311 -7.085 -5.390 1.00 1.00 C ATOM 311 CG ASP A 22 -3.872 -7.020 -6.810 1.00 1.00 C ATOM 312 OD1 ASP A 22 -4.856 -7.697 -7.073 1.00 1.00 O ATOM 313 OD2 ASP A 22 -3.315 -6.291 -7.614 1.00 1.00 O ATOM 0 H ASP A 22 -5.614 -7.710 -4.675 1.00 1.00 H new ATOM 0 HA ASP A 22 -3.263 -9.247 -5.380 1.00 1.00 H new ATOM 0 HB2 ASP A 22 -3.730 -6.278 -4.789 1.00 1.00 H new ATOM 0 HB3 ASP A 22 -2.231 -6.940 -5.411 1.00 1.00 H new ATOM 318 N LYS A 23 -1.676 -8.658 -3.386 1.00 1.00 N ATOM 319 CA LYS A 23 -0.895 -8.755 -2.156 1.00 1.00 C ATOM 320 C LYS A 23 0.384 -7.962 -2.309 1.00 1.00 C ATOM 321 O LYS A 23 0.772 -7.595 -3.411 1.00 1.00 O ATOM 322 CB LYS A 23 -0.586 -10.226 -1.838 1.00 1.00 C ATOM 323 CG LYS A 23 0.132 -10.888 -3.028 1.00 1.00 C ATOM 324 CD LYS A 23 0.398 -12.367 -2.712 1.00 1.00 C ATOM 325 CE LYS A 23 1.114 -13.027 -3.894 1.00 1.00 C ATOM 326 NZ LYS A 23 1.392 -14.455 -3.571 1.00 1.00 N ATOM 0 H LYS A 23 -1.116 -8.691 -4.238 1.00 1.00 H new ATOM 0 HA LYS A 23 -1.471 -8.342 -1.328 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.038 -10.290 -0.946 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -1.511 -10.760 -1.619 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -0.478 -10.802 -3.927 1.00 1.00 H new ATOM 0 HG3 LYS A 23 1.072 -10.374 -3.230 1.00 1.00 H new ATOM 0 HD2 LYS A 23 1.007 -12.453 -1.812 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -0.542 -12.881 -2.511 1.00 1.00 H new ATOM 0 HE2 LYS A 23 0.498 -12.959 -4.790 1.00 1.00 H new ATOM 0 HE3 LYS A 23 2.046 -12.503 -4.107 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 1.878 -14.904 -4.373 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 1.996 -14.509 -2.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 0.496 -14.950 -3.388 1.00 1.00 H new ATOM 340 N ILE A 24 1.027 -7.698 -1.180 1.00 1.00 N ATOM 341 CA ILE A 24 2.282 -6.925 -1.132 1.00 1.00 C ATOM 342 C ILE A 24 3.437 -7.885 -0.795 1.00 1.00 C ATOM 343 O ILE A 24 3.477 -8.482 0.283 1.00 1.00 O ATOM 344 CB ILE A 24 2.158 -5.752 -0.075 1.00 1.00 C ATOM 345 CG1 ILE A 24 0.923 -5.982 0.866 1.00 1.00 C ATOM 346 CG2 ILE A 24 2.021 -4.374 -0.778 1.00 1.00 C ATOM 347 CD1 ILE A 24 -0.443 -5.748 0.149 1.00 1.00 C ATOM 0 H ILE A 24 0.701 -8.010 -0.265 1.00 1.00 H new ATOM 0 HA ILE A 24 2.485 -6.464 -2.099 1.00 1.00 H new ATOM 0 HB ILE A 24 3.071 -5.752 0.521 1.00 1.00 H new ATOM 0 HG12 ILE A 24 0.954 -7.000 1.254 1.00 1.00 H new ATOM 0 HG13 ILE A 24 0.997 -5.312 1.723 1.00 1.00 H new ATOM 0 HG21 ILE A 24 1.938 -3.589 -0.027 1.00 1.00 H new ATOM 0 HG22 ILE A 24 2.900 -4.192 -1.397 1.00 1.00 H new ATOM 0 HG23 ILE A 24 1.129 -4.372 -1.405 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -1.258 -5.923 0.852 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -0.492 -4.722 -0.215 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -0.535 -6.436 -0.691 1.00 1.00 H new ATOM 359 N ILE A 25 4.372 -8.007 -1.736 1.00 1.00 N ATOM 360 CA ILE A 25 5.535 -8.870 -1.562 1.00 1.00 C ATOM 361 C ILE A 25 6.433 -8.300 -0.483 1.00 1.00 C ATOM 362 O ILE A 25 6.930 -9.028 0.369 1.00 1.00 O ATOM 363 CB ILE A 25 6.320 -8.984 -2.894 1.00 1.00 C ATOM 364 CG1 ILE A 25 5.357 -9.392 -4.045 1.00 1.00 C ATOM 365 CG2 ILE A 25 7.447 -10.030 -2.761 1.00 1.00 C ATOM 366 CD1 ILE A 25 4.586 -10.694 -3.734 1.00 1.00 C ATOM 0 H ILE A 25 4.345 -7.516 -2.630 1.00 1.00 H new ATOM 0 HA ILE A 25 5.200 -9.864 -1.266 1.00 1.00 H new ATOM 0 HB ILE A 25 6.762 -8.015 -3.124 1.00 1.00 H new ATOM 0 HG12 ILE A 25 4.646 -8.585 -4.223 1.00 1.00 H new ATOM 0 HG13 ILE A 25 5.928 -9.522 -4.964 1.00 1.00 H new ATOM 0 HG21 ILE A 25 7.991 -10.101 -3.703 1.00 1.00 H new ATOM 0 HG22 ILE A 25 8.132 -9.728 -1.968 1.00 1.00 H new ATOM 0 HG23 ILE A 25 7.015 -11.001 -2.517 1.00 1.00 H new ATOM 0 HD11 ILE A 25 3.928 -10.935 -4.569 1.00 1.00 H new ATOM 0 HD12 ILE A 25 5.294 -11.509 -3.583 1.00 1.00 H new ATOM 0 HD13 ILE A 25 3.992 -10.558 -2.831 1.00 1.00 H new ATOM 378 N SER A 26 6.637 -6.986 -0.523 1.00 1.00 N ATOM 379 CA SER A 26 7.484 -6.316 0.460 1.00 1.00 C ATOM 380 C SER A 26 7.201 -4.818 0.478 1.00 1.00 C ATOM 381 O SER A 26 6.519 -4.290 -0.401 1.00 1.00 O ATOM 382 CB SER A 26 8.957 -6.558 0.119 1.00 1.00 C ATOM 383 OG SER A 26 9.223 -7.956 0.144 1.00 1.00 O ATOM 0 H SER A 26 6.229 -6.366 -1.223 1.00 1.00 H new ATOM 0 HA SER A 26 7.265 -6.724 1.447 1.00 1.00 H new ATOM 0 HB2 SER A 26 9.186 -6.150 -0.866 1.00 1.00 H new ATOM 0 HB3 SER A 26 9.597 -6.042 0.834 1.00 1.00 H new ATOM 0 HG SER A 26 8.482 -8.422 0.584 1.00 1.00 H new ATOM 389 N ALA A 27 7.731 -4.144 1.506 1.00 1.00 N ATOM 390 CA ALA A 27 7.559 -2.698 1.698 1.00 1.00 C ATOM 391 C ALA A 27 8.921 -2.031 1.858 1.00 1.00 C ATOM 392 O ALA A 27 9.560 -2.177 2.900 1.00 1.00 O ATOM 393 CB ALA A 27 6.753 -2.478 2.974 1.00 1.00 C ATOM 0 H ALA A 27 8.294 -4.588 2.232 1.00 1.00 H new ATOM 0 HA ALA A 27 7.047 -2.270 0.836 1.00 1.00 H new ATOM 0 HB1 ALA A 27 6.613 -1.409 3.136 1.00 1.00 H new ATOM 0 HB2 ALA A 27 5.780 -2.961 2.878 1.00 1.00 H new ATOM 0 HB3 ALA A 27 7.289 -2.907 3.821 1.00 1.00 H new ATOM 399 N ASP A 28 9.360 -1.278 0.840 1.00 1.00 N ATOM 400 CA ASP A 28 10.653 -0.571 0.893 1.00 1.00 C ATOM 401 C ASP A 28 11.764 -1.446 1.494 1.00 1.00 C ATOM 402 O ASP A 28 12.766 -0.939 1.999 1.00 1.00 O ATOM 403 CB ASP A 28 10.493 0.711 1.725 1.00 1.00 C ATOM 404 CG ASP A 28 11.751 1.577 1.648 1.00 1.00 C ATOM 405 OD1 ASP A 28 12.300 1.696 0.564 1.00 1.00 O ATOM 406 OD2 ASP A 28 12.144 2.109 2.673 1.00 1.00 O ATOM 0 H ASP A 28 8.843 -1.141 -0.028 1.00 1.00 H new ATOM 0 HA ASP A 28 10.947 -0.327 -0.128 1.00 1.00 H new ATOM 0 HB2 ASP A 28 9.635 1.278 1.364 1.00 1.00 H new ATOM 0 HB3 ASP A 28 10.289 0.451 2.764 1.00 1.00 H new ATOM 411 N GLY A 29 11.563 -2.762 1.453 1.00 1.00 N ATOM 412 CA GLY A 29 12.527 -3.706 2.010 1.00 1.00 C ATOM 413 C GLY A 29 12.228 -5.116 1.523 1.00 1.00 C ATOM 414 O GLY A 29 12.389 -5.407 0.339 1.00 1.00 O ATOM 0 H GLY A 29 10.739 -3.198 1.039 1.00 1.00 H new ATOM 0 HA2 GLY A 29 13.537 -3.420 1.717 1.00 1.00 H new ATOM 0 HA3 GLY A 29 12.489 -3.675 3.099 1.00 1.00 H new ATOM 418 N LYS A 30 11.838 -6.011 2.444 1.00 1.00 N ATOM 419 CA LYS A 30 11.568 -7.424 2.102 1.00 1.00 C ATOM 420 C LYS A 30 10.248 -7.878 2.717 1.00 1.00 C ATOM 421 O LYS A 30 9.587 -7.128 3.433 1.00 1.00 O ATOM 422 CB LYS A 30 12.708 -8.298 2.655 1.00 1.00 C ATOM 423 CG LYS A 30 14.037 -7.952 1.940 1.00 1.00 C ATOM 424 CD LYS A 30 15.202 -8.872 2.433 1.00 1.00 C ATOM 425 CE LYS A 30 15.772 -8.386 3.782 1.00 1.00 C ATOM 426 NZ LYS A 30 16.295 -6.999 3.631 1.00 1.00 N ATOM 0 H LYS A 30 11.702 -5.786 3.430 1.00 1.00 H new ATOM 0 HA LYS A 30 11.505 -7.522 1.018 1.00 1.00 H new ATOM 0 HB2 LYS A 30 12.811 -8.139 3.728 1.00 1.00 H new ATOM 0 HB3 LYS A 30 12.472 -9.352 2.510 1.00 1.00 H new ATOM 0 HG2 LYS A 30 13.913 -8.064 0.863 1.00 1.00 H new ATOM 0 HG3 LYS A 30 14.291 -6.908 2.125 1.00 1.00 H new ATOM 0 HD2 LYS A 30 14.841 -9.895 2.537 1.00 1.00 H new ATOM 0 HD3 LYS A 30 15.996 -8.888 1.686 1.00 1.00 H new ATOM 0 HE2 LYS A 30 14.996 -8.412 4.547 1.00 1.00 H new ATOM 0 HE3 LYS A 30 16.569 -9.052 4.113 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 17.038 -6.829 4.338 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 16.691 -6.879 2.677 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 15.521 -6.319 3.772 1.00 1.00 H new ATOM 440 N ASN A 31 9.871 -9.122 2.425 1.00 1.00 N ATOM 441 CA ASN A 31 8.629 -9.684 2.950 1.00 1.00 C ATOM 442 C ASN A 31 8.738 -9.862 4.464 1.00 1.00 C ATOM 443 O ASN A 31 9.841 -9.862 5.012 1.00 1.00 O ATOM 444 CB ASN A 31 8.356 -11.047 2.287 1.00 1.00 C ATOM 445 CG ASN A 31 9.522 -12.009 2.528 1.00 1.00 C ATOM 446 OD1 ASN A 31 10.381 -11.755 3.374 1.00 1.00 O ATOM 447 ND2 ASN A 31 9.604 -13.107 1.828 1.00 1.00 N ATOM 0 H ASN A 31 10.405 -9.756 1.831 1.00 1.00 H new ATOM 0 HA ASN A 31 7.807 -9.003 2.728 1.00 1.00 H new ATOM 0 HB2 ASN A 31 7.437 -11.474 2.688 1.00 1.00 H new ATOM 0 HB3 ASN A 31 8.205 -10.912 1.216 1.00 1.00 H new ATOM 0 HD21 ASN A 31 10.378 -13.753 1.982 1.00 1.00 H new ATOM 0 HD22 ASN A 31 8.894 -13.319 1.127 1.00 1.00 H new ATOM 454 N TYR A 32 7.591 -10.030 5.137 1.00 1.00 N ATOM 455 CA TYR A 32 7.566 -10.232 6.602 1.00 1.00 C ATOM 456 C TYR A 32 6.534 -11.300 6.971 1.00 1.00 C ATOM 457 O TYR A 32 5.401 -11.275 6.491 1.00 1.00 O ATOM 458 CB TYR A 32 7.221 -8.908 7.315 1.00 1.00 C ATOM 459 CG TYR A 32 8.124 -7.790 6.789 1.00 1.00 C ATOM 460 CD1 TYR A 32 9.518 -7.878 6.955 1.00 1.00 C ATOM 461 CD2 TYR A 32 7.577 -6.667 6.134 1.00 1.00 C ATOM 462 CE1 TYR A 32 10.349 -6.861 6.469 1.00 1.00 C ATOM 463 CE2 TYR A 32 8.413 -5.660 5.655 1.00 1.00 C ATOM 464 CZ TYR A 32 9.798 -5.755 5.819 1.00 1.00 C ATOM 465 OH TYR A 32 10.621 -4.755 5.339 1.00 1.00 O ATOM 0 H TYR A 32 6.670 -10.031 4.698 1.00 1.00 H new ATOM 0 HA TYR A 32 8.553 -10.564 6.924 1.00 1.00 H new ATOM 0 HB2 TYR A 32 6.175 -8.654 7.145 1.00 1.00 H new ATOM 0 HB3 TYR A 32 7.352 -9.018 8.391 1.00 1.00 H new ATOM 0 HD1 TYR A 32 9.948 -8.731 7.458 1.00 1.00 H new ATOM 0 HD2 TYR A 32 6.508 -6.587 6.003 1.00 1.00 H new ATOM 0 HE1 TYR A 32 11.419 -6.932 6.597 1.00 1.00 H new ATOM 0 HE2 TYR A 32 7.989 -4.802 5.155 1.00 1.00 H new ATOM 0 HH TYR A 32 10.077 -4.060 4.913 1.00 1.00 H new ATOM 475 N GLN A 33 6.933 -12.235 7.834 1.00 1.00 N ATOM 476 CA GLN A 33 6.036 -13.301 8.268 1.00 1.00 C ATOM 477 C GLN A 33 4.893 -12.718 9.090 1.00 1.00 C ATOM 478 O GLN A 33 3.744 -13.140 8.954 1.00 1.00 O ATOM 479 CB GLN A 33 6.814 -14.328 9.110 1.00 1.00 C ATOM 480 CG GLN A 33 7.965 -14.938 8.284 1.00 1.00 C ATOM 481 CD GLN A 33 7.418 -15.765 7.120 1.00 1.00 C ATOM 482 OE1 GLN A 33 7.664 -15.441 5.957 1.00 1.00 O ATOM 483 NE2 GLN A 33 6.680 -16.815 7.363 1.00 1.00 N ATOM 0 H GLN A 33 7.867 -12.274 8.243 1.00 1.00 H new ATOM 0 HA GLN A 33 5.624 -13.797 7.389 1.00 1.00 H new ATOM 0 HB2 GLN A 33 7.214 -13.848 10.003 1.00 1.00 H new ATOM 0 HB3 GLN A 33 6.141 -15.117 9.446 1.00 1.00 H new ATOM 0 HG2 GLN A 33 8.606 -14.143 7.902 1.00 1.00 H new ATOM 0 HG3 GLN A 33 8.584 -15.567 8.924 1.00 1.00 H new ATOM 0 HE21 GLN A 33 6.476 -17.083 8.326 1.00 1.00 H new ATOM 0 HE22 GLN A 33 6.308 -17.367 6.590 1.00 1.00 H new ATOM 492 N SER A 34 5.216 -11.744 9.947 1.00 1.00 N ATOM 493 CA SER A 34 4.214 -11.091 10.806 1.00 1.00 C ATOM 494 C SER A 34 3.728 -9.785 10.169 1.00 1.00 C ATOM 495 O SER A 34 4.498 -8.840 9.997 1.00 1.00 O ATOM 496 CB SER A 34 4.835 -10.788 12.171 1.00 1.00 C ATOM 497 OG SER A 34 5.267 -12.003 12.768 1.00 1.00 O ATOM 0 H SER A 34 6.164 -11.388 10.067 1.00 1.00 H new ATOM 0 HA SER A 34 3.363 -11.762 10.924 1.00 1.00 H new ATOM 0 HB2 SER A 34 5.677 -10.105 12.057 1.00 1.00 H new ATOM 0 HB3 SER A 34 4.107 -10.292 12.813 1.00 1.00 H new ATOM 0 HG SER A 34 5.667 -11.814 13.642 1.00 1.00 H new ATOM 503 N ALA A 35 2.445 -9.752 9.822 1.00 1.00 N ATOM 504 CA ALA A 35 1.843 -8.571 9.202 1.00 1.00 C ATOM 505 C ALA A 35 2.039 -7.336 10.084 1.00 1.00 C ATOM 506 O ALA A 35 2.009 -6.204 9.604 1.00 1.00 O ATOM 507 CB ALA A 35 0.348 -8.816 8.979 1.00 1.00 C ATOM 0 H ALA A 35 1.799 -10.530 9.959 1.00 1.00 H new ATOM 0 HA ALA A 35 2.332 -8.392 8.245 1.00 1.00 H new ATOM 0 HB1 ALA A 35 -0.100 -7.936 8.517 1.00 1.00 H new ATOM 0 HB2 ALA A 35 0.214 -9.677 8.324 1.00 1.00 H new ATOM 0 HB3 ALA A 35 -0.136 -9.009 9.936 1.00 1.00 H new ATOM 513 N GLU A 36 2.226 -7.575 11.376 1.00 1.00 N ATOM 514 CA GLU A 36 2.410 -6.493 12.342 1.00 1.00 C ATOM 515 C GLU A 36 3.591 -5.609 11.956 1.00 1.00 C ATOM 516 O GLU A 36 3.568 -4.396 12.161 1.00 1.00 O ATOM 517 CB GLU A 36 2.668 -7.089 13.733 1.00 1.00 C ATOM 518 CG GLU A 36 1.511 -8.013 14.119 1.00 1.00 C ATOM 519 CD GLU A 36 1.729 -8.608 15.515 1.00 1.00 C ATOM 520 OE1 GLU A 36 2.682 -8.218 16.175 1.00 1.00 O ATOM 521 OE2 GLU A 36 0.935 -9.448 15.906 1.00 1.00 O ATOM 0 H GLU A 36 2.255 -8.510 11.782 1.00 1.00 H new ATOM 0 HA GLU A 36 1.505 -5.885 12.351 1.00 1.00 H new ATOM 0 HB2 GLU A 36 3.606 -7.645 13.733 1.00 1.00 H new ATOM 0 HB3 GLU A 36 2.770 -6.291 14.468 1.00 1.00 H new ATOM 0 HG2 GLU A 36 0.574 -7.457 14.099 1.00 1.00 H new ATOM 0 HG3 GLU A 36 1.421 -8.816 13.387 1.00 1.00 H new ATOM 528 N LYS A 37 4.621 -6.229 11.388 1.00 1.00 N ATOM 529 CA LYS A 37 5.813 -5.492 10.966 1.00 1.00 C ATOM 530 C LYS A 37 5.462 -4.512 9.858 1.00 1.00 C ATOM 531 O LYS A 37 5.919 -3.370 9.864 1.00 1.00 O ATOM 532 CB LYS A 37 6.891 -6.480 10.456 1.00 1.00 C ATOM 533 CG LYS A 37 7.343 -7.458 11.587 1.00 1.00 C ATOM 534 CD LYS A 37 8.314 -6.768 12.577 1.00 1.00 C ATOM 535 CE LYS A 37 8.755 -7.766 13.654 1.00 1.00 C ATOM 536 NZ LYS A 37 9.447 -8.920 13.016 1.00 1.00 N ATOM 0 H LYS A 37 4.657 -7.233 11.209 1.00 1.00 H new ATOM 0 HA LYS A 37 6.201 -4.940 11.822 1.00 1.00 H new ATOM 0 HB2 LYS A 37 6.496 -7.050 9.615 1.00 1.00 H new ATOM 0 HB3 LYS A 37 7.753 -5.923 10.087 1.00 1.00 H new ATOM 0 HG2 LYS A 37 6.468 -7.821 12.127 1.00 1.00 H new ATOM 0 HG3 LYS A 37 7.829 -8.328 11.145 1.00 1.00 H new ATOM 0 HD2 LYS A 37 9.184 -6.389 12.042 1.00 1.00 H new ATOM 0 HD3 LYS A 37 7.826 -5.911 13.041 1.00 1.00 H new ATOM 0 HE2 LYS A 37 9.422 -7.278 14.365 1.00 1.00 H new ATOM 0 HE3 LYS A 37 7.889 -8.115 14.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 10.043 -9.400 13.720 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 8.740 -9.588 12.647 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 10.042 -8.579 12.234 1.00 1.00 H new ATOM 550 N LEU A 38 4.668 -4.967 8.893 1.00 1.00 N ATOM 551 CA LEU A 38 4.293 -4.113 7.766 1.00 1.00 C ATOM 552 C LEU A 38 3.485 -2.910 8.263 1.00 1.00 C ATOM 553 O LEU A 38 3.780 -1.765 7.941 1.00 1.00 O ATOM 554 CB LEU A 38 3.461 -4.953 6.750 1.00 1.00 C ATOM 555 CG LEU A 38 3.628 -4.421 5.307 1.00 1.00 C ATOM 556 CD1 LEU A 38 2.775 -5.259 4.340 1.00 1.00 C ATOM 557 CD2 LEU A 38 3.247 -2.923 5.203 1.00 1.00 C ATOM 0 H LEU A 38 4.276 -5.908 8.866 1.00 1.00 H new ATOM 0 HA LEU A 38 5.189 -3.737 7.273 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.776 -5.996 6.794 1.00 1.00 H new ATOM 0 HB3 LEU A 38 2.408 -4.926 7.030 1.00 1.00 H new ATOM 0 HG LEU A 38 4.679 -4.511 5.033 1.00 1.00 H new ATOM 0 HD11 LEU A 38 2.897 -4.880 3.325 1.00 1.00 H new ATOM 0 HD12 LEU A 38 3.097 -6.300 4.379 1.00 1.00 H new ATOM 0 HD13 LEU A 38 1.726 -5.192 4.629 1.00 1.00 H new ATOM 0 HD21 LEU A 38 3.377 -2.585 4.175 1.00 1.00 H new ATOM 0 HD22 LEU A 38 2.206 -2.791 5.500 1.00 1.00 H new ATOM 0 HD23 LEU A 38 3.889 -2.338 5.861 1.00 1.00 H new ATOM 569 N ILE A 39 2.463 -3.192 9.063 1.00 1.00 N ATOM 570 CA ILE A 39 1.609 -2.124 9.606 1.00 1.00 C ATOM 571 C ILE A 39 2.458 -1.156 10.434 1.00 1.00 C ATOM 572 O ILE A 39 2.384 0.058 10.241 1.00 1.00 O ATOM 573 CB ILE A 39 0.477 -2.725 10.486 1.00 1.00 C ATOM 574 CG1 ILE A 39 -0.348 -3.749 9.653 1.00 1.00 C ATOM 575 CG2 ILE A 39 -0.456 -1.595 10.991 1.00 1.00 C ATOM 576 CD1 ILE A 39 -1.322 -4.516 10.563 1.00 1.00 C ATOM 0 H ILE A 39 2.202 -4.135 9.351 1.00 1.00 H new ATOM 0 HA ILE A 39 1.152 -1.584 8.777 1.00 1.00 H new ATOM 0 HB ILE A 39 0.923 -3.231 11.342 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -0.902 -3.230 8.871 1.00 1.00 H new ATOM 0 HG13 ILE A 39 0.324 -4.449 9.156 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -1.247 -2.024 11.607 1.00 1.00 H new ATOM 0 HG22 ILE A 39 0.121 -0.885 11.584 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -0.899 -1.081 10.138 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -1.892 -5.229 9.967 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -0.760 -5.051 11.328 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -2.005 -3.813 11.039 1.00 1.00 H new ATOM 588 N ASP A 40 3.251 -1.689 11.365 1.00 1.00 N ATOM 589 CA ASP A 40 4.091 -0.849 12.219 1.00 1.00 C ATOM 590 C ASP A 40 5.060 -0.024 11.372 1.00 1.00 C ATOM 591 O ASP A 40 5.306 1.145 11.662 1.00 1.00 O ATOM 592 CB ASP A 40 4.871 -1.738 13.203 1.00 1.00 C ATOM 593 CG ASP A 40 5.720 -0.888 14.151 1.00 1.00 C ATOM 594 OD1 ASP A 40 5.148 -0.071 14.855 1.00 1.00 O ATOM 595 OD2 ASP A 40 6.928 -1.069 14.160 1.00 1.00 O ATOM 0 H ASP A 40 3.329 -2.690 11.546 1.00 1.00 H new ATOM 0 HA ASP A 40 3.455 -0.162 12.778 1.00 1.00 H new ATOM 0 HB2 ASP A 40 4.175 -2.347 13.779 1.00 1.00 H new ATOM 0 HB3 ASP A 40 5.513 -2.424 12.650 1.00 1.00 H new ATOM 600 N TYR A 41 5.605 -0.635 10.322 1.00 1.00 N ATOM 601 CA TYR A 41 6.539 0.061 9.442 1.00 1.00 C ATOM 602 C TYR A 41 5.871 1.289 8.804 1.00 1.00 C ATOM 603 O TYR A 41 6.460 2.369 8.767 1.00 1.00 O ATOM 604 CB TYR A 41 7.050 -0.922 8.366 1.00 1.00 C ATOM 605 CG TYR A 41 7.935 -0.194 7.359 1.00 1.00 C ATOM 606 CD1 TYR A 41 9.171 0.322 7.774 1.00 1.00 C ATOM 607 CD2 TYR A 41 7.517 -0.015 6.024 1.00 1.00 C ATOM 608 CE1 TYR A 41 9.981 1.015 6.869 1.00 1.00 C ATOM 609 CE2 TYR A 41 8.332 0.671 5.123 1.00 1.00 C ATOM 610 CZ TYR A 41 9.566 1.189 5.545 1.00 1.00 C ATOM 611 OH TYR A 41 10.365 1.888 4.666 1.00 1.00 O ATOM 0 H TYR A 41 5.417 -1.603 10.062 1.00 1.00 H new ATOM 0 HA TYR A 41 7.388 0.420 10.023 1.00 1.00 H new ATOM 0 HB2 TYR A 41 7.612 -1.728 8.838 1.00 1.00 H new ATOM 0 HB3 TYR A 41 6.205 -1.381 7.853 1.00 1.00 H new ATOM 0 HD1 TYR A 41 9.498 0.184 8.794 1.00 1.00 H new ATOM 0 HD2 TYR A 41 6.565 -0.409 5.699 1.00 1.00 H new ATOM 0 HE1 TYR A 41 10.930 1.417 7.193 1.00 1.00 H new ATOM 0 HE2 TYR A 41 8.013 0.803 4.100 1.00 1.00 H new ATOM 0 HH TYR A 41 11.304 1.653 4.820 1.00 1.00 H new ATOM 621 N ILE A 42 4.640 1.127 8.318 1.00 1.00 N ATOM 622 CA ILE A 42 3.918 2.246 7.702 1.00 1.00 C ATOM 623 C ILE A 42 3.678 3.320 8.764 1.00 1.00 C ATOM 624 O ILE A 42 3.834 4.512 8.497 1.00 1.00 O ATOM 625 CB ILE A 42 2.573 1.748 7.106 1.00 1.00 C ATOM 626 CG1 ILE A 42 2.867 0.754 5.944 1.00 1.00 C ATOM 627 CG2 ILE A 42 1.743 2.945 6.561 1.00 1.00 C ATOM 628 CD1 ILE A 42 1.581 0.029 5.512 1.00 1.00 C ATOM 0 H ILE A 42 4.126 0.246 8.337 1.00 1.00 H new ATOM 0 HA ILE A 42 4.508 2.670 6.890 1.00 1.00 H new ATOM 0 HB ILE A 42 2.000 1.251 7.889 1.00 1.00 H new ATOM 0 HG12 ILE A 42 3.289 1.293 5.096 1.00 1.00 H new ATOM 0 HG13 ILE A 42 3.612 0.025 6.262 1.00 1.00 H new ATOM 0 HG21 ILE A 42 0.804 2.578 6.147 1.00 1.00 H new ATOM 0 HG22 ILE A 42 1.534 3.642 7.372 1.00 1.00 H new ATOM 0 HG23 ILE A 42 2.309 3.455 5.781 1.00 1.00 H new ATOM 0 HD11 ILE A 42 1.808 -0.661 4.699 1.00 1.00 H new ATOM 0 HD12 ILE A 42 1.175 -0.527 6.357 1.00 1.00 H new ATOM 0 HD13 ILE A 42 0.847 0.760 5.173 1.00 1.00 H new ATOM 640 N SER A 43 3.285 2.889 9.966 1.00 1.00 N ATOM 641 CA SER A 43 3.015 3.809 11.074 1.00 1.00 C ATOM 642 C SER A 43 1.968 4.847 10.677 1.00 1.00 C ATOM 643 O SER A 43 1.918 5.946 11.227 1.00 1.00 O ATOM 644 CB SER A 43 4.320 4.489 11.533 1.00 1.00 C ATOM 645 OG SER A 43 4.014 5.567 12.405 1.00 1.00 O ATOM 0 H SER A 43 3.146 1.905 10.197 1.00 1.00 H new ATOM 0 HA SER A 43 2.614 3.236 11.910 1.00 1.00 H new ATOM 0 HB2 SER A 43 4.959 3.767 12.041 1.00 1.00 H new ATOM 0 HB3 SER A 43 4.876 4.853 10.669 1.00 1.00 H new ATOM 0 HG SER A 43 3.074 5.820 12.295 1.00 1.00 H new ATOM 651 N SER A 44 1.135 4.474 9.712 1.00 1.00 N ATOM 652 CA SER A 44 0.074 5.349 9.223 1.00 1.00 C ATOM 653 C SER A 44 0.647 6.636 8.630 1.00 1.00 C ATOM 654 O SER A 44 -0.085 7.595 8.411 1.00 1.00 O ATOM 655 CB SER A 44 -0.917 5.673 10.351 1.00 1.00 C ATOM 656 OG SER A 44 -1.322 4.462 10.977 1.00 1.00 O ATOM 0 H SER A 44 1.174 3.566 9.250 1.00 1.00 H new ATOM 0 HA SER A 44 -0.457 4.822 8.431 1.00 1.00 H new ATOM 0 HB2 SER A 44 -0.452 6.336 11.081 1.00 1.00 H new ATOM 0 HB3 SER A 44 -1.784 6.197 9.950 1.00 1.00 H new ATOM 0 HG SER A 44 -1.953 4.662 11.699 1.00 1.00 H new ATOM 662 N LYS A 45 1.958 6.641 8.407 1.00 1.00 N ATOM 663 CA LYS A 45 2.645 7.813 7.851 1.00 1.00 C ATOM 664 C LYS A 45 2.175 8.088 6.423 1.00 1.00 C ATOM 665 O LYS A 45 2.968 8.030 5.479 1.00 1.00 O ATOM 666 CB LYS A 45 4.172 7.565 7.862 1.00 1.00 C ATOM 667 CG LYS A 45 4.713 7.484 9.328 1.00 1.00 C ATOM 668 CD LYS A 45 5.015 8.895 9.881 1.00 1.00 C ATOM 669 CE LYS A 45 5.517 8.799 11.321 1.00 1.00 C ATOM 670 NZ LYS A 45 4.447 8.210 12.173 1.00 1.00 N ATOM 0 H LYS A 45 2.570 5.849 8.601 1.00 1.00 H new ATOM 0 HA LYS A 45 2.409 8.683 8.464 1.00 1.00 H new ATOM 0 HB2 LYS A 45 4.398 6.638 7.335 1.00 1.00 H new ATOM 0 HB3 LYS A 45 4.679 8.368 7.327 1.00 1.00 H new ATOM 0 HG2 LYS A 45 3.979 6.989 9.964 1.00 1.00 H new ATOM 0 HG3 LYS A 45 5.618 6.877 9.353 1.00 1.00 H new ATOM 0 HD2 LYS A 45 5.764 9.385 9.259 1.00 1.00 H new ATOM 0 HD3 LYS A 45 4.116 9.510 9.842 1.00 1.00 H new ATOM 0 HE2 LYS A 45 6.415 8.183 11.366 1.00 1.00 H new ATOM 0 HE3 LYS A 45 5.790 9.787 11.690 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 4.673 8.372 13.175 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 3.536 8.658 11.946 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 4.384 7.188 11.993 1.00 1.00 H new ATOM 684 N LYS A 46 0.880 8.389 6.260 1.00 1.00 N ATOM 685 CA LYS A 46 0.294 8.678 4.950 1.00 1.00 C ATOM 686 C LYS A 46 0.070 10.173 4.810 1.00 1.00 C ATOM 687 O LYS A 46 -0.017 10.876 5.814 1.00 1.00 O ATOM 688 CB LYS A 46 -1.065 7.974 4.828 1.00 1.00 C ATOM 689 CG LYS A 46 -0.899 6.453 4.928 1.00 1.00 C ATOM 690 CD LYS A 46 -2.277 5.777 4.821 1.00 1.00 C ATOM 691 CE LYS A 46 -2.123 4.260 4.954 1.00 1.00 C ATOM 692 NZ LYS A 46 -1.223 3.757 3.879 1.00 1.00 N ATOM 0 H LYS A 46 0.214 8.438 7.031 1.00 1.00 H new ATOM 0 HA LYS A 46 0.973 8.325 4.174 1.00 1.00 H new ATOM 0 HB2 LYS A 46 -1.733 8.324 5.615 1.00 1.00 H new ATOM 0 HB3 LYS A 46 -1.530 8.232 3.876 1.00 1.00 H new ATOM 0 HG2 LYS A 46 -0.244 6.095 4.133 1.00 1.00 H new ATOM 0 HG3 LYS A 46 -0.426 6.190 5.874 1.00 1.00 H new ATOM 0 HD2 LYS A 46 -2.939 6.154 5.601 1.00 1.00 H new ATOM 0 HD3 LYS A 46 -2.739 6.022 3.865 1.00 1.00 H new ATOM 0 HE2 LYS A 46 -1.714 4.010 5.933 1.00 1.00 H new ATOM 0 HE3 LYS A 46 -3.098 3.777 4.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 -1.376 2.737 3.747 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 -1.431 4.256 2.991 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 -0.233 3.926 4.148 1.00 1.00 H new ATOM 706 N ALA A 47 -0.024 10.658 3.566 1.00 1.00 N ATOM 707 CA ALA A 47 -0.244 12.075 3.283 1.00 1.00 C ATOM 708 C ALA A 47 1.078 12.835 3.323 1.00 1.00 C ATOM 709 O ALA A 47 1.547 13.236 4.387 1.00 1.00 O ATOM 710 CB ALA A 47 -1.294 12.717 4.235 1.00 1.00 C ATOM 0 H ALA A 47 0.051 10.077 2.731 1.00 1.00 H new ATOM 0 HA ALA A 47 -0.658 12.146 2.277 1.00 1.00 H new ATOM 0 HB1 ALA A 47 -1.419 13.770 3.982 1.00 1.00 H new ATOM 0 HB2 ALA A 47 -2.248 12.201 4.125 1.00 1.00 H new ATOM 0 HB3 ALA A 47 -0.951 12.630 5.266 1.00 1.00 H new ATOM 716 N GLY A 48 1.669 13.037 2.140 1.00 1.00 N ATOM 717 CA GLY A 48 2.940 13.759 2.003 1.00 1.00 C ATOM 718 C GLY A 48 4.100 12.791 1.804 1.00 1.00 C ATOM 719 O GLY A 48 4.878 12.933 0.860 1.00 1.00 O ATOM 0 H GLY A 48 1.283 12.707 1.255 1.00 1.00 H new ATOM 0 HA2 GLY A 48 2.884 14.444 1.157 1.00 1.00 H new ATOM 0 HA3 GLY A 48 3.116 14.365 2.892 1.00 1.00 H new ATOM 723 N ASP A 49 4.218 11.799 2.690 1.00 1.00 N ATOM 724 CA ASP A 49 5.298 10.813 2.589 1.00 1.00 C ATOM 725 C ASP A 49 5.037 9.869 1.418 1.00 1.00 C ATOM 726 O ASP A 49 3.887 9.578 1.092 1.00 1.00 O ATOM 727 CB ASP A 49 5.395 10.009 3.898 1.00 1.00 C ATOM 728 CG ASP A 49 6.598 9.066 3.857 1.00 1.00 C ATOM 729 OD1 ASP A 49 7.712 9.562 3.804 1.00 1.00 O ATOM 730 OD2 ASP A 49 6.389 7.863 3.878 1.00 1.00 O ATOM 0 H ASP A 49 3.586 11.657 3.478 1.00 1.00 H new ATOM 0 HA ASP A 49 6.240 11.335 2.419 1.00 1.00 H new ATOM 0 HB2 ASP A 49 5.487 10.690 4.744 1.00 1.00 H new ATOM 0 HB3 ASP A 49 4.480 9.436 4.049 1.00 1.00 H new ATOM 735 N LYS A 50 6.121 9.388 0.793 1.00 1.00 N ATOM 736 CA LYS A 50 6.042 8.460 -0.353 1.00 1.00 C ATOM 737 C LYS A 50 6.679 7.126 0.026 1.00 1.00 C ATOM 738 O LYS A 50 7.484 7.051 0.954 1.00 1.00 O ATOM 739 CB LYS A 50 6.800 9.043 -1.555 1.00 1.00 C ATOM 740 CG LYS A 50 6.144 10.356 -2.001 1.00 1.00 C ATOM 741 CD LYS A 50 6.901 10.924 -3.213 1.00 1.00 C ATOM 742 CE LYS A 50 6.295 12.269 -3.621 1.00 1.00 C ATOM 743 NZ LYS A 50 4.860 12.079 -3.961 1.00 1.00 N ATOM 0 H LYS A 50 7.075 9.628 1.063 1.00 1.00 H new ATOM 0 HA LYS A 50 4.994 8.315 -0.616 1.00 1.00 H new ATOM 0 HB2 LYS A 50 7.842 9.220 -1.288 1.00 1.00 H new ATOM 0 HB3 LYS A 50 6.799 8.328 -2.378 1.00 1.00 H new ATOM 0 HG2 LYS A 50 5.099 10.183 -2.260 1.00 1.00 H new ATOM 0 HG3 LYS A 50 6.154 11.076 -1.183 1.00 1.00 H new ATOM 0 HD2 LYS A 50 7.956 11.050 -2.968 1.00 1.00 H new ATOM 0 HD3 LYS A 50 6.849 10.224 -4.047 1.00 1.00 H new ATOM 0 HE2 LYS A 50 6.396 12.988 -2.808 1.00 1.00 H new ATOM 0 HE3 LYS A 50 6.832 12.678 -4.477 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 4.612 12.682 -4.771 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 4.690 11.083 -4.206 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 4.272 12.339 -3.144 1.00 1.00 H new ATOM 757 N VAL A 51 6.321 6.074 -0.708 1.00 1.00 N ATOM 758 CA VAL A 51 6.867 4.738 -0.451 1.00 1.00 C ATOM 759 C VAL A 51 6.722 3.871 -1.696 1.00 1.00 C ATOM 760 O VAL A 51 5.783 4.040 -2.472 1.00 1.00 O ATOM 761 CB VAL A 51 6.139 4.106 0.755 1.00 1.00 C ATOM 762 CG1 VAL A 51 4.638 3.948 0.460 1.00 1.00 C ATOM 763 CG2 VAL A 51 6.750 2.736 1.100 1.00 1.00 C ATOM 0 H VAL A 51 5.659 6.118 -1.482 1.00 1.00 H new ATOM 0 HA VAL A 51 7.928 4.814 -0.213 1.00 1.00 H new ATOM 0 HB VAL A 51 6.262 4.772 1.609 1.00 1.00 H new ATOM 0 HG11 VAL A 51 4.143 3.501 1.322 1.00 1.00 H new ATOM 0 HG12 VAL A 51 4.202 4.926 0.258 1.00 1.00 H new ATOM 0 HG13 VAL A 51 4.504 3.305 -0.410 1.00 1.00 H new ATOM 0 HG21 VAL A 51 6.223 2.307 1.952 1.00 1.00 H new ATOM 0 HG22 VAL A 51 6.656 2.070 0.243 1.00 1.00 H new ATOM 0 HG23 VAL A 51 7.804 2.860 1.350 1.00 1.00 H new ATOM 773 N THR A 52 7.650 2.920 -1.859 1.00 1.00 N ATOM 774 CA THR A 52 7.629 1.982 -2.995 1.00 1.00 C ATOM 775 C THR A 52 7.179 0.610 -2.489 1.00 1.00 C ATOM 776 O THR A 52 7.784 0.056 -1.571 1.00 1.00 O ATOM 777 CB THR A 52 9.036 1.887 -3.618 1.00 1.00 C ATOM 778 OG1 THR A 52 9.483 3.192 -3.951 1.00 1.00 O ATOM 779 CG2 THR A 52 9.004 1.023 -4.891 1.00 1.00 C ATOM 0 H THR A 52 8.429 2.777 -1.217 1.00 1.00 H new ATOM 0 HA THR A 52 6.936 2.334 -3.759 1.00 1.00 H new ATOM 0 HB THR A 52 9.713 1.427 -2.898 1.00 1.00 H new ATOM 0 HG1 THR A 52 10.378 3.140 -4.346 1.00 1.00 H new ATOM 0 HG21 THR A 52 10.005 0.967 -5.318 1.00 1.00 H new ATOM 0 HG22 THR A 52 8.659 0.020 -4.641 1.00 1.00 H new ATOM 0 HG23 THR A 52 8.325 1.470 -5.617 1.00 1.00 H new ATOM 787 N LEU A 53 6.106 0.077 -3.088 1.00 1.00 N ATOM 788 CA LEU A 53 5.543 -1.233 -2.702 1.00 1.00 C ATOM 789 C LEU A 53 5.607 -2.198 -3.890 1.00 1.00 C ATOM 790 O LEU A 53 5.136 -1.882 -4.982 1.00 1.00 O ATOM 791 CB LEU A 53 4.077 -1.038 -2.269 1.00 1.00 C ATOM 792 CG LEU A 53 3.966 0.017 -1.138 1.00 1.00 C ATOM 793 CD1 LEU A 53 2.481 0.213 -0.782 1.00 1.00 C ATOM 794 CD2 LEU A 53 4.753 -0.423 0.130 1.00 1.00 C ATOM 0 H LEU A 53 5.604 0.534 -3.849 1.00 1.00 H new ATOM 0 HA LEU A 53 6.120 -1.651 -1.877 1.00 1.00 H new ATOM 0 HB2 LEU A 53 3.480 -0.723 -3.125 1.00 1.00 H new ATOM 0 HB3 LEU A 53 3.666 -1.988 -1.927 1.00 1.00 H new ATOM 0 HG LEU A 53 4.399 0.952 -1.493 1.00 1.00 H new ATOM 0 HD11 LEU A 53 2.392 0.953 0.013 1.00 1.00 H new ATOM 0 HD12 LEU A 53 1.938 0.558 -1.662 1.00 1.00 H new ATOM 0 HD13 LEU A 53 2.060 -0.734 -0.445 1.00 1.00 H new ATOM 0 HD21 LEU A 53 4.654 0.339 0.903 1.00 1.00 H new ATOM 0 HD22 LEU A 53 4.351 -1.367 0.498 1.00 1.00 H new ATOM 0 HD23 LEU A 53 5.806 -0.550 -0.121 1.00 1.00 H new ATOM 806 N LYS A 54 6.193 -3.383 -3.671 1.00 1.00 N ATOM 807 CA LYS A 54 6.313 -4.391 -4.733 1.00 1.00 C ATOM 808 C LYS A 54 5.090 -5.299 -4.705 1.00 1.00 C ATOM 809 O LYS A 54 4.697 -5.788 -3.644 1.00 1.00 O ATOM 810 CB LYS A 54 7.580 -5.227 -4.505 1.00 1.00 C ATOM 811 CG LYS A 54 8.815 -4.315 -4.580 1.00 1.00 C ATOM 812 CD LYS A 54 10.084 -5.141 -4.344 1.00 1.00 C ATOM 813 CE LYS A 54 11.309 -4.220 -4.368 1.00 1.00 C ATOM 814 NZ LYS A 54 11.372 -3.508 -5.676 1.00 1.00 N ATOM 0 H LYS A 54 6.589 -3.666 -2.774 1.00 1.00 H new ATOM 0 HA LYS A 54 6.377 -3.896 -5.702 1.00 1.00 H new ATOM 0 HB2 LYS A 54 7.535 -5.717 -3.533 1.00 1.00 H new ATOM 0 HB3 LYS A 54 7.650 -6.014 -5.256 1.00 1.00 H new ATOM 0 HG2 LYS A 54 8.862 -3.830 -5.555 1.00 1.00 H new ATOM 0 HG3 LYS A 54 8.741 -3.524 -3.834 1.00 1.00 H new ATOM 0 HD2 LYS A 54 10.022 -5.655 -3.385 1.00 1.00 H new ATOM 0 HD3 LYS A 54 10.178 -5.909 -5.112 1.00 1.00 H new ATOM 0 HE2 LYS A 54 11.251 -3.499 -3.552 1.00 1.00 H new ATOM 0 HE3 LYS A 54 12.218 -4.802 -4.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 54 12.335 -3.146 -5.828 1.00 1.00 H new ATOM 0 HZ2 LYS A 54 11.125 -4.167 -6.442 1.00 1.00 H new ATOM 0 HZ3 LYS A 54 10.700 -2.714 -5.672 1.00 1.00 H new ATOM 828 N ILE A 55 4.491 -5.515 -5.883 1.00 1.00 N ATOM 829 CA ILE A 55 3.296 -6.359 -6.028 1.00 1.00 C ATOM 830 C ILE A 55 3.496 -7.346 -7.175 1.00 1.00 C ATOM 831 O ILE A 55 4.386 -7.181 -8.006 1.00 1.00 O ATOM 832 CB ILE A 55 2.054 -5.464 -6.280 1.00 1.00 C ATOM 833 CG1 ILE A 55 1.861 -4.541 -5.051 1.00 1.00 C ATOM 834 CG2 ILE A 55 0.781 -6.336 -6.520 1.00 1.00 C ATOM 835 CD1 ILE A 55 0.694 -3.586 -5.274 1.00 1.00 C ATOM 0 H ILE A 55 4.819 -5.111 -6.760 1.00 1.00 H new ATOM 0 HA ILE A 55 3.135 -6.926 -5.111 1.00 1.00 H new ATOM 0 HB ILE A 55 2.209 -4.862 -7.175 1.00 1.00 H new ATOM 0 HG12 ILE A 55 1.679 -5.144 -4.162 1.00 1.00 H new ATOM 0 HG13 ILE A 55 2.773 -3.973 -4.870 1.00 1.00 H new ATOM 0 HG21 ILE A 55 -0.077 -5.687 -6.694 1.00 1.00 H new ATOM 0 HG22 ILE A 55 0.936 -6.974 -7.390 1.00 1.00 H new ATOM 0 HG23 ILE A 55 0.594 -6.956 -5.643 1.00 1.00 H new ATOM 0 HD11 ILE A 55 0.575 -2.946 -4.399 1.00 1.00 H new ATOM 0 HD12 ILE A 55 0.891 -2.969 -6.151 1.00 1.00 H new ATOM 0 HD13 ILE A 55 -0.220 -4.159 -5.432 1.00 1.00 H new ATOM 847 N GLU A 56 2.622 -8.355 -7.206 1.00 1.00 N ATOM 848 CA GLU A 56 2.632 -9.393 -8.252 1.00 1.00 C ATOM 849 C GLU A 56 1.238 -9.518 -8.870 1.00 1.00 C ATOM 850 O GLU A 56 0.238 -9.596 -8.156 1.00 1.00 O ATOM 851 CB GLU A 56 3.070 -10.737 -7.643 1.00 1.00 C ATOM 852 CG GLU A 56 3.252 -11.796 -8.747 1.00 1.00 C ATOM 853 CD GLU A 56 3.732 -13.121 -8.152 1.00 1.00 C ATOM 854 OE1 GLU A 56 3.638 -13.286 -6.946 1.00 1.00 O ATOM 855 OE2 GLU A 56 4.182 -13.956 -8.919 1.00 1.00 O ATOM 0 H GLU A 56 1.887 -8.480 -6.510 1.00 1.00 H new ATOM 0 HA GLU A 56 3.338 -9.114 -9.034 1.00 1.00 H new ATOM 0 HB2 GLU A 56 4.004 -10.608 -7.097 1.00 1.00 H new ATOM 0 HB3 GLU A 56 2.325 -11.077 -6.924 1.00 1.00 H new ATOM 0 HG2 GLU A 56 2.308 -11.948 -9.271 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.972 -11.440 -9.484 1.00 1.00 H new ATOM 862 N ARG A 57 1.186 -9.554 -10.211 1.00 1.00 N ATOM 863 CA ARG A 57 -0.078 -9.687 -10.950 1.00 1.00 C ATOM 864 C ARG A 57 0.133 -10.637 -12.131 1.00 1.00 C ATOM 865 O ARG A 57 1.026 -10.429 -12.944 1.00 1.00 O ATOM 866 CB ARG A 57 -0.544 -8.313 -11.469 1.00 1.00 C ATOM 867 CG ARG A 57 -0.762 -7.348 -10.291 1.00 1.00 C ATOM 868 CD ARG A 57 -1.285 -5.993 -10.801 1.00 1.00 C ATOM 869 NE ARG A 57 -2.608 -6.164 -11.397 1.00 1.00 N ATOM 870 CZ ARG A 57 -3.269 -5.146 -11.957 1.00 1.00 C ATOM 871 NH1 ARG A 57 -2.750 -3.945 -11.980 1.00 1.00 N ATOM 872 NH2 ARG A 57 -4.446 -5.351 -12.484 1.00 1.00 N ATOM 0 H ARG A 57 2.011 -9.492 -10.808 1.00 1.00 H new ATOM 0 HA ARG A 57 -0.843 -10.085 -10.283 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.199 -7.903 -12.152 1.00 1.00 H new ATOM 0 HB3 ARG A 57 -1.469 -8.424 -12.034 1.00 1.00 H new ATOM 0 HG2 ARG A 57 -1.474 -7.778 -9.586 1.00 1.00 H new ATOM 0 HG3 ARG A 57 0.174 -7.205 -9.751 1.00 1.00 H new ATOM 0 HD2 ARG A 57 -1.336 -5.280 -9.978 1.00 1.00 H new ATOM 0 HD3 ARG A 57 -0.595 -5.581 -11.537 1.00 1.00 H new ATOM 0 HE ARG A 57 -3.040 -7.088 -11.385 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -1.832 -3.778 -11.568 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -3.263 -3.176 -12.410 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -4.857 -6.284 -12.467 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -4.955 -4.578 -12.913 1.00 1.00 H new ATOM 886 N GLU A 58 -0.698 -11.678 -12.213 1.00 1.00 N ATOM 887 CA GLU A 58 -0.615 -12.669 -13.290 1.00 1.00 C ATOM 888 C GLU A 58 0.847 -13.089 -13.553 1.00 1.00 C ATOM 889 O GLU A 58 1.279 -13.167 -14.699 1.00 1.00 O ATOM 890 CB GLU A 58 -1.254 -12.082 -14.574 1.00 1.00 C ATOM 891 CG GLU A 58 -1.624 -13.205 -15.564 1.00 1.00 C ATOM 892 CD GLU A 58 -2.182 -12.611 -16.857 1.00 1.00 C ATOM 893 OE1 GLU A 58 -1.567 -11.692 -17.374 1.00 1.00 O ATOM 894 OE2 GLU A 58 -3.210 -13.084 -17.310 1.00 1.00 O ATOM 0 H GLU A 58 -1.443 -11.858 -11.540 1.00 1.00 H new ATOM 0 HA GLU A 58 -1.161 -13.563 -12.988 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -2.146 -11.512 -14.314 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -0.559 -11.388 -15.047 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.744 -13.810 -15.784 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -2.362 -13.868 -15.113 1.00 1.00 H new ATOM 901 N GLU A 59 1.592 -13.318 -12.472 1.00 1.00 N ATOM 902 CA GLU A 59 3.006 -13.705 -12.555 1.00 1.00 C ATOM 903 C GLU A 59 3.846 -12.598 -13.196 1.00 1.00 C ATOM 904 O GLU A 59 4.849 -12.874 -13.855 1.00 1.00 O ATOM 905 CB GLU A 59 3.177 -15.009 -13.360 1.00 1.00 C ATOM 906 CG GLU A 59 2.320 -16.127 -12.741 1.00 1.00 C ATOM 907 CD GLU A 59 2.421 -17.415 -13.570 1.00 1.00 C ATOM 908 OE1 GLU A 59 3.168 -17.429 -14.539 1.00 1.00 O ATOM 909 OE2 GLU A 59 1.741 -18.365 -13.225 1.00 1.00 O ATOM 0 H GLU A 59 1.238 -13.242 -11.518 1.00 1.00 H new ATOM 0 HA GLU A 59 3.356 -13.868 -11.535 1.00 1.00 H new ATOM 0 HB2 GLU A 59 2.884 -14.847 -14.397 1.00 1.00 H new ATOM 0 HB3 GLU A 59 4.226 -15.306 -13.368 1.00 1.00 H new ATOM 0 HG2 GLU A 59 2.649 -16.320 -11.720 1.00 1.00 H new ATOM 0 HG3 GLU A 59 1.280 -15.806 -12.686 1.00 1.00 H new ATOM 916 N LYS A 60 3.433 -11.337 -12.990 1.00 1.00 N ATOM 917 CA LYS A 60 4.154 -10.167 -13.539 1.00 1.00 C ATOM 918 C LYS A 60 4.174 -9.039 -12.509 1.00 1.00 C ATOM 919 O LYS A 60 3.124 -8.541 -12.102 1.00 1.00 O ATOM 920 CB LYS A 60 3.470 -9.670 -14.824 1.00 1.00 C ATOM 921 CG LYS A 60 3.540 -10.758 -15.906 1.00 1.00 C ATOM 922 CD LYS A 60 2.902 -10.249 -17.205 1.00 1.00 C ATOM 923 CE LYS A 60 2.937 -11.360 -18.261 1.00 1.00 C ATOM 924 NZ LYS A 60 4.349 -11.784 -18.486 1.00 1.00 N ATOM 0 H LYS A 60 2.603 -11.097 -12.447 1.00 1.00 H new ATOM 0 HA LYS A 60 5.175 -10.468 -13.772 1.00 1.00 H new ATOM 0 HB2 LYS A 60 2.430 -9.416 -14.618 1.00 1.00 H new ATOM 0 HB3 LYS A 60 3.957 -8.761 -15.178 1.00 1.00 H new ATOM 0 HG2 LYS A 60 4.578 -11.037 -16.086 1.00 1.00 H new ATOM 0 HG3 LYS A 60 3.024 -11.655 -15.565 1.00 1.00 H new ATOM 0 HD2 LYS A 60 1.873 -9.940 -17.021 1.00 1.00 H new ATOM 0 HD3 LYS A 60 3.438 -9.372 -17.567 1.00 1.00 H new ATOM 0 HE2 LYS A 60 2.339 -12.209 -17.931 1.00 1.00 H new ATOM 0 HE3 LYS A 60 2.499 -11.004 -19.194 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 4.490 -12.000 -19.493 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 4.991 -11.016 -18.203 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 4.552 -12.632 -17.918 1.00 1.00 H new ATOM 938 N GLU A 61 5.377 -8.631 -12.090 1.00 1.00 N ATOM 939 CA GLU A 61 5.529 -7.554 -11.108 1.00 1.00 C ATOM 940 C GLU A 61 5.520 -6.201 -11.811 1.00 1.00 C ATOM 941 O GLU A 61 6.004 -6.075 -12.935 1.00 1.00 O ATOM 942 CB GLU A 61 6.858 -7.728 -10.354 1.00 1.00 C ATOM 943 CG GLU A 61 6.848 -9.056 -9.580 1.00 1.00 C ATOM 944 CD GLU A 61 8.172 -9.262 -8.838 1.00 1.00 C ATOM 945 OE1 GLU A 61 9.030 -8.396 -8.917 1.00 1.00 O ATOM 946 OE2 GLU A 61 8.307 -10.291 -8.199 1.00 1.00 O ATOM 0 H GLU A 61 6.257 -9.030 -12.415 1.00 1.00 H new ATOM 0 HA GLU A 61 4.699 -7.597 -10.403 1.00 1.00 H new ATOM 0 HB2 GLU A 61 7.690 -7.713 -11.058 1.00 1.00 H new ATOM 0 HB3 GLU A 61 7.008 -6.896 -9.665 1.00 1.00 H new ATOM 0 HG2 GLU A 61 6.022 -9.061 -8.868 1.00 1.00 H new ATOM 0 HG3 GLU A 61 6.680 -9.883 -10.270 1.00 1.00 H new ATOM 953 N LYS A 62 4.961 -5.191 -11.134 1.00 1.00 N ATOM 954 CA LYS A 62 4.877 -3.822 -11.675 1.00 1.00 C ATOM 955 C LYS A 62 5.297 -2.824 -10.605 1.00 1.00 C ATOM 956 O LYS A 62 5.199 -3.105 -9.411 1.00 1.00 O ATOM 957 CB LYS A 62 3.439 -3.520 -12.122 1.00 1.00 C ATOM 958 CG LYS A 62 3.043 -4.460 -13.271 1.00 1.00 C ATOM 959 CD LYS A 62 1.609 -4.147 -13.723 1.00 1.00 C ATOM 960 CE LYS A 62 1.193 -5.119 -14.830 1.00 1.00 C ATOM 961 NZ LYS A 62 2.144 -5.010 -15.969 1.00 1.00 N ATOM 0 H LYS A 62 4.556 -5.294 -10.203 1.00 1.00 H new ATOM 0 HA LYS A 62 5.543 -3.738 -12.534 1.00 1.00 H new ATOM 0 HB2 LYS A 62 2.754 -3.646 -11.284 1.00 1.00 H new ATOM 0 HB3 LYS A 62 3.359 -2.482 -12.445 1.00 1.00 H new ATOM 0 HG2 LYS A 62 3.733 -4.340 -14.106 1.00 1.00 H new ATOM 0 HG3 LYS A 62 3.114 -5.498 -12.946 1.00 1.00 H new ATOM 0 HD2 LYS A 62 0.925 -4.229 -12.878 1.00 1.00 H new ATOM 0 HD3 LYS A 62 1.547 -3.121 -14.085 1.00 1.00 H new ATOM 0 HE2 LYS A 62 1.183 -6.140 -14.447 1.00 1.00 H new ATOM 0 HE3 LYS A 62 0.180 -4.894 -15.165 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 1.713 -5.421 -16.822 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 2.366 -4.009 -16.142 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 3.019 -5.524 -15.741 1.00 1.00 H new ATOM 975 N ARG A 63 5.772 -1.655 -11.050 1.00 1.00 N ATOM 976 CA ARG A 63 6.223 -0.584 -10.146 1.00 1.00 C ATOM 977 C ARG A 63 5.572 0.742 -10.541 1.00 1.00 C ATOM 978 O ARG A 63 5.659 1.170 -11.692 1.00 1.00 O ATOM 979 CB ARG A 63 7.757 -0.462 -10.236 1.00 1.00 C ATOM 980 CG ARG A 63 8.283 0.576 -9.227 1.00 1.00 C ATOM 981 CD ARG A 63 9.812 0.678 -9.329 1.00 1.00 C ATOM 982 NE ARG A 63 10.322 1.574 -8.286 1.00 1.00 N ATOM 983 CZ ARG A 63 10.133 2.897 -8.341 1.00 1.00 C ATOM 984 NH1 ARG A 63 9.518 3.433 -9.364 1.00 1.00 N ATOM 985 NH2 ARG A 63 10.576 3.660 -7.379 1.00 1.00 N ATOM 0 H ARG A 63 5.855 -1.423 -12.040 1.00 1.00 H new ATOM 0 HA ARG A 63 5.934 -0.825 -9.123 1.00 1.00 H new ATOM 0 HB2 ARG A 63 8.216 -1.431 -10.040 1.00 1.00 H new ATOM 0 HB3 ARG A 63 8.045 -0.172 -11.247 1.00 1.00 H new ATOM 0 HG2 ARG A 63 7.831 1.548 -9.424 1.00 1.00 H new ATOM 0 HG3 ARG A 63 7.996 0.290 -8.215 1.00 1.00 H new ATOM 0 HD2 ARG A 63 10.259 -0.310 -9.223 1.00 1.00 H new ATOM 0 HD3 ARG A 63 10.096 1.052 -10.313 1.00 1.00 H new ATOM 0 HE ARG A 63 10.834 1.178 -7.498 1.00 1.00 H new ATOM 0 HH11 ARG A 63 9.181 2.841 -10.123 1.00 1.00 H new ATOM 0 HH12 ARG A 63 9.376 4.442 -9.402 1.00 1.00 H new ATOM 0 HH21 ARG A 63 11.066 3.247 -6.585 1.00 1.00 H new ATOM 0 HH22 ARG A 63 10.432 4.669 -7.421 1.00 1.00 H new ATOM 999 N VAL A 64 4.937 1.400 -9.561 1.00 1.00 N ATOM 1000 CA VAL A 64 4.285 2.703 -9.770 1.00 1.00 C ATOM 1001 C VAL A 64 4.614 3.606 -8.582 1.00 1.00 C ATOM 1002 O VAL A 64 4.466 3.189 -7.432 1.00 1.00 O ATOM 1003 CB VAL A 64 2.752 2.522 -9.884 1.00 1.00 C ATOM 1004 CG1 VAL A 64 2.076 3.869 -10.224 1.00 1.00 C ATOM 1005 CG2 VAL A 64 2.439 1.491 -10.983 1.00 1.00 C ATOM 0 H VAL A 64 4.860 1.048 -8.607 1.00 1.00 H new ATOM 0 HA VAL A 64 4.648 3.152 -10.694 1.00 1.00 H new ATOM 0 HB VAL A 64 2.364 2.168 -8.929 1.00 1.00 H new ATOM 0 HG11 VAL A 64 0.998 3.726 -10.301 1.00 1.00 H new ATOM 0 HG12 VAL A 64 2.291 4.593 -9.438 1.00 1.00 H new ATOM 0 HG13 VAL A 64 2.461 4.240 -11.174 1.00 1.00 H new ATOM 0 HG21 VAL A 64 1.360 1.362 -11.064 1.00 1.00 H new ATOM 0 HG22 VAL A 64 2.835 1.843 -11.935 1.00 1.00 H new ATOM 0 HG23 VAL A 64 2.900 0.537 -10.728 1.00 1.00 H new ATOM 1015 N THR A 65 5.031 4.851 -8.853 1.00 1.00 N ATOM 1016 CA THR A 65 5.346 5.808 -7.780 1.00 1.00 C ATOM 1017 C THR A 65 4.145 6.733 -7.577 1.00 1.00 C ATOM 1018 O THR A 65 3.804 7.515 -8.464 1.00 1.00 O ATOM 1019 CB THR A 65 6.583 6.638 -8.182 1.00 1.00 C ATOM 1020 OG1 THR A 65 7.642 5.752 -8.517 1.00 1.00 O ATOM 1021 CG2 THR A 65 7.031 7.541 -7.022 1.00 1.00 C ATOM 0 H THR A 65 5.158 5.218 -9.796 1.00 1.00 H new ATOM 0 HA THR A 65 5.560 5.275 -6.853 1.00 1.00 H new ATOM 0 HB THR A 65 6.326 7.266 -9.035 1.00 1.00 H new ATOM 0 HG1 THR A 65 8.433 6.270 -8.776 1.00 1.00 H new ATOM 0 HG21 THR A 65 7.904 8.118 -7.326 1.00 1.00 H new ATOM 0 HG22 THR A 65 6.222 8.221 -6.757 1.00 1.00 H new ATOM 0 HG23 THR A 65 7.285 6.926 -6.159 1.00 1.00 H new ATOM 1029 N LEU A 66 3.531 6.652 -6.390 1.00 1.00 N ATOM 1030 CA LEU A 66 2.373 7.496 -6.031 1.00 1.00 C ATOM 1031 C LEU A 66 2.555 8.041 -4.615 1.00 1.00 C ATOM 1032 O LEU A 66 3.368 7.535 -3.842 1.00 1.00 O ATOM 1033 CB LEU A 66 1.023 6.690 -6.176 1.00 1.00 C ATOM 1034 CG LEU A 66 -0.012 7.456 -7.076 1.00 1.00 C ATOM 1035 CD1 LEU A 66 0.366 7.309 -8.565 1.00 1.00 C ATOM 1036 CD2 LEU A 66 -1.439 6.909 -6.846 1.00 1.00 C ATOM 0 H LEU A 66 3.816 6.007 -5.653 1.00 1.00 H new ATOM 0 HA LEU A 66 2.317 8.339 -6.719 1.00 1.00 H new ATOM 0 HB2 LEU A 66 1.228 5.711 -6.608 1.00 1.00 H new ATOM 0 HB3 LEU A 66 0.592 6.519 -5.189 1.00 1.00 H new ATOM 0 HG LEU A 66 0.010 8.511 -6.802 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -0.359 7.844 -9.179 1.00 1.00 H new ATOM 0 HD12 LEU A 66 1.360 7.725 -8.731 1.00 1.00 H new ATOM 0 HD13 LEU A 66 0.364 6.254 -8.838 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -2.143 7.451 -7.478 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -1.467 5.849 -7.098 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -1.715 7.040 -5.800 1.00 1.00 H new ATOM 1048 N THR A 67 1.770 9.067 -4.282 1.00 1.00 N ATOM 1049 CA THR A 67 1.812 9.687 -2.951 1.00 1.00 C ATOM 1050 C THR A 67 0.704 9.108 -2.076 1.00 1.00 C ATOM 1051 O THR A 67 -0.421 8.914 -2.529 1.00 1.00 O ATOM 1052 CB THR A 67 1.624 11.209 -3.086 1.00 1.00 C ATOM 1053 OG1 THR A 67 1.671 11.794 -1.794 1.00 1.00 O ATOM 1054 CG2 THR A 67 0.274 11.549 -3.758 1.00 1.00 C ATOM 0 H THR A 67 1.093 9.490 -4.917 1.00 1.00 H new ATOM 0 HA THR A 67 2.777 9.481 -2.488 1.00 1.00 H new ATOM 0 HB THR A 67 2.423 11.606 -3.713 1.00 1.00 H new ATOM 0 HG1 THR A 67 1.554 12.764 -1.870 1.00 1.00 H new ATOM 0 HG21 THR A 67 0.170 12.631 -3.839 1.00 1.00 H new ATOM 0 HG22 THR A 67 0.241 11.106 -4.753 1.00 1.00 H new ATOM 0 HG23 THR A 67 -0.543 11.150 -3.156 1.00 1.00 H new ATOM 1062 N LEU A 68 1.031 8.825 -0.821 1.00 1.00 N ATOM 1063 CA LEU A 68 0.056 8.264 0.104 1.00 1.00 C ATOM 1064 C LEU A 68 -1.114 9.232 0.297 1.00 1.00 C ATOM 1065 O LEU A 68 -1.075 10.365 -0.184 1.00 1.00 O ATOM 1066 CB LEU A 68 0.735 7.989 1.445 1.00 1.00 C ATOM 1067 CG LEU A 68 1.899 6.973 1.275 1.00 1.00 C ATOM 1068 CD1 LEU A 68 2.662 6.817 2.608 1.00 1.00 C ATOM 1069 CD2 LEU A 68 1.370 5.584 0.785 1.00 1.00 C ATOM 0 H LEU A 68 1.958 8.974 -0.423 1.00 1.00 H new ATOM 0 HA LEU A 68 -0.333 7.332 -0.306 1.00 1.00 H new ATOM 0 HB2 LEU A 68 1.117 8.921 1.862 1.00 1.00 H new ATOM 0 HB3 LEU A 68 0.005 7.598 2.154 1.00 1.00 H new ATOM 0 HG LEU A 68 2.580 7.358 0.516 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.476 6.103 2.480 1.00 1.00 H new ATOM 0 HD12 LEU A 68 3.070 7.782 2.909 1.00 1.00 H new ATOM 0 HD13 LEU A 68 1.980 6.455 3.377 1.00 1.00 H new ATOM 0 HD21 LEU A 68 2.207 4.894 0.675 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.664 5.186 1.514 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.870 5.704 -0.176 1.00 1.00 H new ATOM 1081 N LYS A 69 -2.164 8.768 0.989 1.00 1.00 N ATOM 1082 CA LYS A 69 -3.364 9.595 1.227 1.00 1.00 C ATOM 1083 C LYS A 69 -4.017 9.217 2.561 1.00 1.00 C ATOM 1084 O LYS A 69 -3.758 8.152 3.113 1.00 1.00 O ATOM 1085 CB LYS A 69 -4.368 9.386 0.060 1.00 1.00 C ATOM 1086 CG LYS A 69 -5.253 10.660 -0.202 1.00 1.00 C ATOM 1087 CD LYS A 69 -4.556 11.589 -1.215 1.00 1.00 C ATOM 1088 CE LYS A 69 -5.366 12.873 -1.404 1.00 1.00 C ATOM 1089 NZ LYS A 69 -4.660 13.760 -2.373 1.00 1.00 N ATOM 0 H LYS A 69 -2.211 7.832 1.393 1.00 1.00 H new ATOM 0 HA LYS A 69 -3.074 10.645 1.274 1.00 1.00 H new ATOM 0 HB2 LYS A 69 -3.819 9.135 -0.848 1.00 1.00 H new ATOM 0 HB3 LYS A 69 -5.014 8.538 0.287 1.00 1.00 H new ATOM 0 HG2 LYS A 69 -6.230 10.362 -0.582 1.00 1.00 H new ATOM 0 HG3 LYS A 69 -5.424 11.192 0.734 1.00 1.00 H new ATOM 0 HD2 LYS A 69 -3.553 11.832 -0.865 1.00 1.00 H new ATOM 0 HD3 LYS A 69 -4.445 11.077 -2.171 1.00 1.00 H new ATOM 0 HE2 LYS A 69 -6.365 12.636 -1.770 1.00 1.00 H new ATOM 0 HE3 LYS A 69 -5.489 13.383 -0.449 1.00 1.00 H new ATOM 0 HZ1 LYS A 69 -5.207 14.635 -2.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 69 -3.716 13.994 -2.005 1.00 1.00 H new ATOM 0 HZ3 LYS A 69 -4.564 13.271 -3.286 1.00 1.00 H new ATOM 1103 N GLN A 70 -4.895 10.100 3.040 1.00 1.00 N ATOM 1104 CA GLN A 70 -5.632 9.900 4.299 1.00 1.00 C ATOM 1105 C GLN A 70 -7.141 9.967 4.057 1.00 1.00 C ATOM 1106 O GLN A 70 -7.604 10.736 3.210 1.00 1.00 O ATOM 1107 CB GLN A 70 -5.209 10.995 5.297 1.00 1.00 C ATOM 1108 CG GLN A 70 -5.447 12.389 4.685 1.00 1.00 C ATOM 1109 CD GLN A 70 -4.979 13.478 5.646 1.00 1.00 C ATOM 1110 OE1 GLN A 70 -5.693 14.455 5.870 1.00 1.00 O ATOM 1111 NE2 GLN A 70 -3.817 13.371 6.230 1.00 1.00 N ATOM 0 H GLN A 70 -5.119 10.977 2.569 1.00 1.00 H new ATOM 0 HA GLN A 70 -5.398 8.915 4.703 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -5.776 10.894 6.222 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -4.156 10.877 5.554 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -4.911 12.475 3.740 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -6.506 12.520 4.464 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -3.225 12.561 6.044 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -3.500 14.097 6.872 1.00 1.00 H new ATOM 1120 N PHE A 71 -7.890 9.123 4.781 1.00 1.00 N ATOM 1121 CA PHE A 71 -9.356 9.037 4.641 1.00 1.00 C ATOM 1122 C PHE A 71 -9.986 10.439 4.420 1.00 1.00 C ATOM 1123 O PHE A 71 -9.590 11.391 5.094 1.00 1.00 O ATOM 1124 CB PHE A 71 -9.950 8.421 5.914 1.00 1.00 C ATOM 1125 CG PHE A 71 -9.353 7.036 6.132 1.00 1.00 C ATOM 1126 CD1 PHE A 71 -9.887 5.928 5.456 1.00 1.00 C ATOM 1127 CD2 PHE A 71 -8.259 6.861 6.998 1.00 1.00 C ATOM 1128 CE1 PHE A 71 -9.337 4.659 5.646 1.00 1.00 C ATOM 1129 CE2 PHE A 71 -7.712 5.593 7.183 1.00 1.00 C ATOM 1130 CZ PHE A 71 -8.248 4.489 6.509 1.00 1.00 C ATOM 0 H PHE A 71 -7.503 8.484 5.476 1.00 1.00 H new ATOM 0 HA PHE A 71 -9.579 8.416 3.773 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -9.740 9.059 6.772 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -11.034 8.352 5.826 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -10.725 6.057 4.787 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -7.843 7.710 7.520 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -9.752 3.808 5.127 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -6.872 5.461 7.849 1.00 1.00 H new ATOM 0 HZ PHE A 71 -7.822 3.507 6.655 1.00 1.00 H new ATOM 1140 N PRO A 72 -10.911 10.609 3.483 1.00 1.00 N ATOM 1141 CA PRO A 72 -11.508 11.957 3.198 1.00 1.00 C ATOM 1142 C PRO A 72 -12.493 12.417 4.278 1.00 1.00 C ATOM 1143 O PRO A 72 -12.879 13.587 4.292 1.00 1.00 O ATOM 1144 CB PRO A 72 -12.209 11.738 1.836 1.00 1.00 C ATOM 1145 CG PRO A 72 -12.669 10.315 1.916 1.00 1.00 C ATOM 1146 CD PRO A 72 -11.505 9.571 2.599 1.00 1.00 C ATOM 0 HA PRO A 72 -10.760 12.749 3.183 1.00 1.00 H new ATOM 0 HB2 PRO A 72 -13.044 12.425 1.697 1.00 1.00 H new ATOM 0 HB3 PRO A 72 -11.526 11.895 1.001 1.00 1.00 H new ATOM 0 HG2 PRO A 72 -13.589 10.227 2.493 1.00 1.00 H new ATOM 0 HG3 PRO A 72 -12.874 9.908 0.926 1.00 1.00 H new ATOM 0 HD2 PRO A 72 -11.856 8.710 3.168 1.00 1.00 H new ATOM 0 HD3 PRO A 72 -10.783 9.200 1.872 1.00 1.00 H new