USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 572 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 63 GLN : amide:sc= -1.05! C(o=-1.9!,f=-4.5!) USER MOD Set 1.2: A 87 HIS :FLIP no HE2:sc= -0.875 F(o=-3.2,f=-1.9) USER MOD Set 2.1: A 18 SER OG : rot 170:sc= -0.546 USER MOD Set 2.2: A 20 LYS NZ :NH3+ -169:sc= -0.0126 (180deg=-0.146) USER MOD Single : A 9 MET CE :methyl 174:sc= -1.31 (180deg=-1.37) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.196 F(o=-2.3!,f=-0.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0136) USER MOD Single : A 27 SER OG : rot -61:sc= 1.3 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 94:sc= 1.23 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.0027) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.55) USER MOD Single : A 70 ASN : amide:sc= -0.289 K(o=-0.29,f=-2) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00887 USER MOD Single : A 77 LYS NZ :NH3+ -166:sc= -0.0448 (180deg=-0.272) USER MOD Single : A 82 LYS NZ :NH3+ -166:sc= -0.296 (180deg=-0.522) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 160:sc= -0.372 USER MOD Single : A 86 MET CE :methyl 138:sc= -2.1 (180deg=-5.16!) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 5 -12.123 -15.196 7.006 1.00 63.50 N ATOM 38 CA VAL A 5 -12.543 -14.007 6.329 1.00 62.33 C ATOM 39 C VAL A 5 -14.070 -13.913 6.385 1.00 63.22 C ATOM 40 O VAL A 5 -14.764 -14.848 5.972 1.00 31.42 O ATOM 41 CB VAL A 5 -12.102 -14.022 4.854 1.00 62.11 C ATOM 42 CG1 VAL A 5 -12.426 -12.710 4.165 1.00 3.52 C ATOM 43 CG2 VAL A 5 -10.638 -14.377 4.707 1.00 55.14 C ATOM 0 HA VAL A 5 -12.084 -13.150 6.822 1.00 62.33 H new ATOM 0 HB VAL A 5 -12.674 -14.805 4.356 1.00 62.11 H new ATOM 0 HG11 VAL A 5 -12.101 -12.755 3.125 1.00 3.52 H new ATOM 0 HG12 VAL A 5 -13.501 -12.535 4.202 1.00 3.52 H new ATOM 0 HG13 VAL A 5 -11.909 -11.895 4.672 1.00 3.52 H new ATOM 0 HG21 VAL A 5 -10.368 -14.376 3.651 1.00 55.14 H new ATOM 0 HG22 VAL A 5 -10.031 -13.644 5.237 1.00 55.14 H new ATOM 0 HG23 VAL A 5 -10.460 -15.367 5.127 1.00 55.14 H new ATOM 53 N PRO A 6 -14.607 -12.809 6.927 1.00 72.53 N ATOM 54 CA PRO A 6 -16.054 -12.584 6.995 1.00 13.21 C ATOM 55 C PRO A 6 -16.711 -12.557 5.607 1.00 72.01 C ATOM 56 O PRO A 6 -16.045 -12.418 4.585 1.00 12.14 O ATOM 57 CB PRO A 6 -16.182 -11.203 7.648 1.00 43.31 C ATOM 58 CG PRO A 6 -14.886 -10.970 8.330 1.00 75.12 C ATOM 59 CD PRO A 6 -13.851 -11.711 7.544 1.00 5.54 C ATOM 0 HA PRO A 6 -16.552 -13.384 7.543 1.00 13.21 H new ATOM 0 HB2 PRO A 6 -16.378 -10.432 6.903 1.00 43.31 H new ATOM 0 HB3 PRO A 6 -17.009 -11.179 8.357 1.00 43.31 H new ATOM 0 HG2 PRO A 6 -14.654 -9.906 8.369 1.00 75.12 H new ATOM 0 HG3 PRO A 6 -14.920 -11.327 9.359 1.00 75.12 H new ATOM 0 HD2 PRO A 6 -13.385 -11.073 6.793 1.00 5.54 H new ATOM 0 HD3 PRO A 6 -13.052 -12.085 8.185 1.00 5.54 H new ATOM 67 N ALA A 7 -18.016 -12.633 5.596 1.00 3.44 N ATOM 68 CA ALA A 7 -18.788 -12.660 4.376 1.00 75.32 C ATOM 69 C ALA A 7 -19.188 -11.248 3.971 1.00 21.30 C ATOM 70 O ALA A 7 -19.972 -11.051 3.051 1.00 43.10 O ATOM 71 CB ALA A 7 -20.017 -13.535 4.552 1.00 3.12 C ATOM 0 H ALA A 7 -18.582 -12.679 6.443 1.00 3.44 H new ATOM 0 HA ALA A 7 -18.174 -13.083 3.581 1.00 75.32 H new ATOM 0 HB1 ALA A 7 -20.591 -13.547 3.625 1.00 3.12 H new ATOM 0 HB2 ALA A 7 -19.708 -14.550 4.801 1.00 3.12 H new ATOM 0 HB3 ALA A 7 -20.635 -13.136 5.356 1.00 3.12 H new ATOM 77 N ASP A 8 -18.649 -10.268 4.675 1.00 34.35 N ATOM 78 CA ASP A 8 -18.867 -8.861 4.335 1.00 52.52 C ATOM 79 C ASP A 8 -17.541 -8.167 4.108 1.00 64.41 C ATOM 80 O ASP A 8 -17.492 -6.976 3.795 1.00 1.13 O ATOM 81 CB ASP A 8 -19.657 -8.116 5.423 1.00 75.35 C ATOM 82 CG ASP A 8 -21.065 -8.626 5.596 1.00 3.44 C ATOM 83 OD1 ASP A 8 -21.975 -8.153 4.878 1.00 21.34 O ATOM 84 OD2 ASP A 8 -21.290 -9.502 6.459 1.00 53.02 O ATOM 0 H ASP A 8 -18.054 -10.415 5.490 1.00 34.35 H new ATOM 0 HA ASP A 8 -19.459 -8.840 3.420 1.00 52.52 H new ATOM 0 HB2 ASP A 8 -19.127 -8.205 6.371 1.00 75.35 H new ATOM 0 HB3 ASP A 8 -19.691 -7.055 5.175 1.00 75.35 H new ATOM 89 N MET A 9 -16.465 -8.916 4.254 1.00 33.14 N ATOM 90 CA MET A 9 -15.127 -8.381 4.103 1.00 53.11 C ATOM 91 C MET A 9 -14.337 -9.284 3.176 1.00 1.24 C ATOM 92 O MET A 9 -14.659 -10.459 3.031 1.00 64.15 O ATOM 93 CB MET A 9 -14.416 -8.328 5.466 1.00 63.32 C ATOM 94 CG MET A 9 -15.109 -7.489 6.532 1.00 4.41 C ATOM 95 SD MET A 9 -15.145 -5.720 6.174 1.00 22.23 S ATOM 96 CE MET A 9 -13.415 -5.288 6.336 1.00 52.02 C ATOM 0 H MET A 9 -16.494 -9.910 4.480 1.00 33.14 H new ATOM 0 HA MET A 9 -15.192 -7.373 3.693 1.00 53.11 H new ATOM 0 HB2 MET A 9 -14.310 -9.346 5.841 1.00 63.32 H new ATOM 0 HB3 MET A 9 -13.410 -7.936 5.317 1.00 63.32 H new ATOM 0 HG2 MET A 9 -16.132 -7.845 6.650 1.00 4.41 H new ATOM 0 HG3 MET A 9 -14.605 -7.645 7.486 1.00 4.41 H new ATOM 0 HE1 MET A 9 -13.270 -4.249 6.039 1.00 52.02 H new ATOM 0 HE2 MET A 9 -13.104 -5.416 7.373 1.00 52.02 H new ATOM 0 HE3 MET A 9 -12.817 -5.935 5.695 1.00 52.02 H new ATOM 106 N ILE A 10 -13.335 -8.744 2.552 1.00 71.42 N ATOM 107 CA ILE A 10 -12.431 -9.516 1.730 1.00 63.13 C ATOM 108 C ILE A 10 -11.001 -9.332 2.252 1.00 4.20 C ATOM 109 O ILE A 10 -10.593 -8.219 2.593 1.00 41.30 O ATOM 110 CB ILE A 10 -12.590 -9.222 0.167 1.00 60.22 C ATOM 111 CG1 ILE A 10 -12.509 -7.751 -0.203 1.00 13.44 C ATOM 112 CG2 ILE A 10 -13.855 -9.795 -0.398 1.00 65.23 C ATOM 113 CD1 ILE A 10 -11.131 -7.176 -0.290 1.00 62.32 C ATOM 0 H ILE A 10 -13.113 -7.749 2.594 1.00 71.42 H new ATOM 0 HA ILE A 10 -12.692 -10.571 1.816 1.00 63.13 H new ATOM 0 HB ILE A 10 -11.730 -9.723 -0.278 1.00 60.22 H new ATOM 0 HG12 ILE A 10 -13.002 -7.610 -1.165 1.00 13.44 H new ATOM 0 HG13 ILE A 10 -13.075 -7.179 0.532 1.00 13.44 H new ATOM 0 HG21 ILE A 10 -13.914 -9.567 -1.462 1.00 65.23 H new ATOM 0 HG22 ILE A 10 -13.859 -10.876 -0.258 1.00 65.23 H new ATOM 0 HG23 ILE A 10 -14.713 -9.359 0.115 1.00 65.23 H new ATOM 0 HD11 ILE A 10 -11.193 -6.122 -0.560 1.00 62.32 H new ATOM 0 HD12 ILE A 10 -10.634 -7.275 0.675 1.00 62.32 H new ATOM 0 HD13 ILE A 10 -10.560 -7.712 -1.048 1.00 62.32 H new ATOM 125 N ASN A 11 -10.266 -10.405 2.381 1.00 74.32 N ATOM 126 CA ASN A 11 -8.931 -10.306 2.955 1.00 24.13 C ATOM 127 C ASN A 11 -7.951 -10.079 1.845 1.00 34.45 C ATOM 128 O ASN A 11 -7.701 -10.973 1.039 1.00 32.35 O ATOM 129 CB ASN A 11 -8.579 -11.564 3.738 1.00 51.33 C ATOM 130 CG ASN A 11 -7.334 -11.406 4.604 1.00 13.32 C ATOM 131 OD1 ASN A 11 -6.199 -11.724 4.069 1.00 44.21 O flip ATOM 132 ND2 ASN A 11 -7.416 -10.996 5.762 1.00 31.40 N flip ATOM 0 H ASN A 11 -10.553 -11.344 2.106 1.00 74.32 H new ATOM 0 HA ASN A 11 -8.896 -9.470 3.654 1.00 24.13 H new ATOM 0 HB2 ASN A 11 -9.422 -11.837 4.372 1.00 51.33 H new ATOM 0 HB3 ASN A 11 -8.426 -12.387 3.040 1.00 51.33 H new ATOM 0 HD21 ASN A 11 -8.326 -10.754 6.154 1.00 31.40 H new ATOM 0 HD22 ASN A 11 -6.574 -10.899 6.329 1.00 31.40 H new ATOM 139 N LEU A 12 -7.413 -8.908 1.796 1.00 73.45 N ATOM 140 CA LEU A 12 -6.586 -8.498 0.702 1.00 75.51 C ATOM 141 C LEU A 12 -5.146 -8.286 1.111 1.00 53.12 C ATOM 142 O LEU A 12 -4.857 -7.689 2.153 1.00 12.41 O ATOM 143 CB LEU A 12 -7.166 -7.211 0.101 1.00 14.13 C ATOM 144 CG LEU A 12 -6.326 -6.488 -0.951 1.00 12.02 C ATOM 145 CD1 LEU A 12 -6.052 -7.354 -2.161 1.00 65.25 C ATOM 146 CD2 LEU A 12 -6.974 -5.179 -1.340 1.00 51.32 C ATOM 0 H LEU A 12 -7.533 -8.198 2.519 1.00 73.45 H new ATOM 0 HA LEU A 12 -6.582 -9.297 -0.040 1.00 75.51 H new ATOM 0 HB2 LEU A 12 -8.131 -7.452 -0.345 1.00 14.13 H new ATOM 0 HB3 LEU A 12 -7.357 -6.514 0.917 1.00 14.13 H new ATOM 0 HG LEU A 12 -5.357 -6.270 -0.503 1.00 12.02 H new ATOM 0 HD11 LEU A 12 -5.452 -6.796 -2.880 1.00 65.25 H new ATOM 0 HD12 LEU A 12 -5.510 -8.248 -1.853 1.00 65.25 H new ATOM 0 HD13 LEU A 12 -6.996 -7.643 -2.623 1.00 65.25 H new ATOM 0 HD21 LEU A 12 -6.361 -4.678 -2.090 1.00 51.32 H new ATOM 0 HD22 LEU A 12 -7.965 -5.372 -1.751 1.00 51.32 H new ATOM 0 HD23 LEU A 12 -7.063 -4.542 -0.460 1.00 51.32 H new ATOM 158 N ARG A 13 -4.245 -8.784 0.303 1.00 24.11 N ATOM 159 CA ARG A 13 -2.877 -8.506 0.508 1.00 40.22 C ATOM 160 C ARG A 13 -2.420 -7.521 -0.544 1.00 52.32 C ATOM 161 O ARG A 13 -2.493 -7.786 -1.753 1.00 53.43 O ATOM 162 CB ARG A 13 -2.045 -9.794 0.483 1.00 33.44 C ATOM 163 CG ARG A 13 -0.583 -9.586 0.848 1.00 44.10 C ATOM 164 CD ARG A 13 0.077 -10.896 1.252 1.00 60.04 C ATOM 165 NE ARG A 13 0.150 -11.887 0.171 1.00 11.05 N ATOM 166 CZ ARG A 13 -0.368 -13.131 0.238 1.00 45.02 C ATOM 167 NH1 ARG A 13 -1.190 -13.476 1.227 1.00 34.42 N ATOM 168 NH2 ARG A 13 -0.083 -14.012 -0.712 1.00 24.33 N ATOM 0 H ARG A 13 -4.450 -9.382 -0.498 1.00 24.11 H new ATOM 0 HA ARG A 13 -2.734 -8.063 1.494 1.00 40.22 H new ATOM 0 HB2 ARG A 13 -2.484 -10.513 1.175 1.00 33.44 H new ATOM 0 HB3 ARG A 13 -2.103 -10.234 -0.513 1.00 33.44 H new ATOM 0 HG2 ARG A 13 -0.052 -9.155 -0.001 1.00 44.10 H new ATOM 0 HG3 ARG A 13 -0.509 -8.871 1.667 1.00 44.10 H new ATOM 0 HD2 ARG A 13 1.086 -10.688 1.609 1.00 60.04 H new ATOM 0 HD3 ARG A 13 -0.474 -11.326 2.088 1.00 60.04 H new ATOM 0 HE ARG A 13 0.625 -11.616 -0.690 1.00 11.05 H new ATOM 0 HH11 ARG A 13 -1.436 -12.796 1.947 1.00 34.42 H new ATOM 0 HH12 ARG A 13 -1.574 -14.420 1.265 1.00 34.42 H new ATOM 0 HH21 ARG A 13 0.525 -13.747 -1.487 1.00 24.33 H new ATOM 0 HH22 ARG A 13 -0.471 -14.954 -0.667 1.00 24.33 H new ATOM 182 N LEU A 14 -1.959 -6.404 -0.062 1.00 33.03 N ATOM 183 CA LEU A 14 -1.457 -5.297 -0.875 1.00 63.45 C ATOM 184 C LEU A 14 0.036 -5.435 -1.042 1.00 23.31 C ATOM 185 O LEU A 14 0.767 -5.614 -0.043 1.00 61.31 O ATOM 186 CB LEU A 14 -1.778 -3.887 -0.221 1.00 62.13 C ATOM 187 CG LEU A 14 -3.246 -3.428 -0.140 1.00 11.41 C ATOM 188 CD1 LEU A 14 -3.866 -3.289 -1.507 1.00 4.13 C ATOM 189 CD2 LEU A 14 -4.086 -4.331 0.725 1.00 54.20 C ATOM 0 H LEU A 14 -1.914 -6.217 0.940 1.00 33.03 H new ATOM 0 HA LEU A 14 -1.958 -5.342 -1.842 1.00 63.45 H new ATOM 0 HB2 LEU A 14 -1.377 -3.893 0.793 1.00 62.13 H new ATOM 0 HB3 LEU A 14 -1.225 -3.130 -0.778 1.00 62.13 H new ATOM 0 HG LEU A 14 -3.227 -2.445 0.330 1.00 11.41 H new ATOM 0 HD11 LEU A 14 -4.901 -2.964 -1.406 1.00 4.13 H new ATOM 0 HD12 LEU A 14 -3.309 -2.552 -2.086 1.00 4.13 H new ATOM 0 HD13 LEU A 14 -3.837 -4.251 -2.019 1.00 4.13 H new ATOM 0 HD21 LEU A 14 -5.111 -3.962 0.748 1.00 54.20 H new ATOM 0 HD22 LEU A 14 -4.073 -5.342 0.317 1.00 54.20 H new ATOM 0 HD23 LEU A 14 -3.682 -4.344 1.737 1.00 54.20 H new ATOM 201 N ILE A 15 0.518 -5.403 -2.271 1.00 21.11 N ATOM 202 CA ILE A 15 1.927 -5.449 -2.459 1.00 0.21 C ATOM 203 C ILE A 15 2.443 -4.049 -2.747 1.00 41.41 C ATOM 204 O ILE A 15 2.031 -3.409 -3.722 1.00 34.41 O ATOM 205 CB ILE A 15 2.336 -6.423 -3.571 1.00 53.05 C ATOM 206 CG1 ILE A 15 1.647 -7.783 -3.329 1.00 12.32 C ATOM 207 CG2 ILE A 15 3.855 -6.578 -3.557 1.00 44.22 C ATOM 208 CD1 ILE A 15 2.020 -8.860 -4.306 1.00 11.01 C ATOM 0 H ILE A 15 -0.040 -5.347 -3.123 1.00 21.11 H new ATOM 0 HA ILE A 15 2.379 -5.823 -1.540 1.00 0.21 H new ATOM 0 HB ILE A 15 2.028 -6.043 -4.545 1.00 53.05 H new ATOM 0 HG12 ILE A 15 1.891 -8.124 -2.323 1.00 12.32 H new ATOM 0 HG13 ILE A 15 0.567 -7.639 -3.364 1.00 12.32 H new ATOM 0 HG21 ILE A 15 4.158 -7.269 -4.344 1.00 44.22 H new ATOM 0 HG22 ILE A 15 4.321 -5.608 -3.727 1.00 44.22 H new ATOM 0 HG23 ILE A 15 4.172 -6.968 -2.590 1.00 44.22 H new ATOM 0 HD11 ILE A 15 1.487 -9.778 -4.057 1.00 11.01 H new ATOM 0 HD12 ILE A 15 1.750 -8.546 -5.314 1.00 11.01 H new ATOM 0 HD13 ILE A 15 3.094 -9.039 -4.257 1.00 11.01 H new ATOM 220 N LEU A 16 3.326 -3.584 -1.891 1.00 63.42 N ATOM 221 CA LEU A 16 3.864 -2.248 -1.960 1.00 44.12 C ATOM 222 C LEU A 16 4.944 -2.155 -3.041 1.00 75.31 C ATOM 223 O LEU A 16 5.538 -3.164 -3.426 1.00 11.54 O ATOM 224 CB LEU A 16 4.438 -1.859 -0.578 1.00 55.13 C ATOM 225 CG LEU A 16 5.013 -0.445 -0.432 1.00 70.31 C ATOM 226 CD1 LEU A 16 3.937 0.606 -0.676 1.00 75.12 C ATOM 227 CD2 LEU A 16 5.641 -0.268 0.944 1.00 31.52 C ATOM 0 H LEU A 16 3.695 -4.135 -1.116 1.00 63.42 H new ATOM 0 HA LEU A 16 3.068 -1.553 -2.227 1.00 44.12 H new ATOM 0 HB2 LEU A 16 3.648 -1.981 0.163 1.00 55.13 H new ATOM 0 HB3 LEU A 16 5.224 -2.571 -0.326 1.00 55.13 H new ATOM 0 HG LEU A 16 5.790 -0.310 -1.185 1.00 70.31 H new ATOM 0 HD11 LEU A 16 4.369 1.601 -0.567 1.00 75.12 H new ATOM 0 HD12 LEU A 16 3.539 0.492 -1.684 1.00 75.12 H new ATOM 0 HD13 LEU A 16 3.133 0.478 0.048 1.00 75.12 H new ATOM 0 HD21 LEU A 16 6.045 0.741 1.033 1.00 31.52 H new ATOM 0 HD22 LEU A 16 4.884 -0.425 1.712 1.00 31.52 H new ATOM 0 HD23 LEU A 16 6.444 -0.993 1.073 1.00 31.52 H new ATOM 239 N VAL A 17 5.215 -0.932 -3.493 1.00 12.40 N ATOM 240 CA VAL A 17 6.192 -0.647 -4.560 1.00 22.33 C ATOM 241 C VAL A 17 7.624 -1.065 -4.195 1.00 51.51 C ATOM 242 O VAL A 17 8.494 -1.133 -5.051 1.00 73.24 O ATOM 243 CB VAL A 17 6.183 0.851 -4.954 1.00 35.44 C ATOM 244 CG1 VAL A 17 4.810 1.259 -5.439 1.00 42.24 C ATOM 245 CG2 VAL A 17 6.617 1.736 -3.784 1.00 55.43 C ATOM 0 H VAL A 17 4.760 -0.095 -3.128 1.00 12.40 H new ATOM 0 HA VAL A 17 5.874 -1.250 -5.410 1.00 22.33 H new ATOM 0 HB VAL A 17 6.900 0.989 -5.764 1.00 35.44 H new ATOM 0 HG11 VAL A 17 4.819 2.314 -5.712 1.00 42.24 H new ATOM 0 HG12 VAL A 17 4.539 0.661 -6.309 1.00 42.24 H new ATOM 0 HG13 VAL A 17 4.081 1.096 -4.646 1.00 42.24 H new ATOM 0 HG21 VAL A 17 6.600 2.781 -4.093 1.00 55.43 H new ATOM 0 HG22 VAL A 17 5.933 1.594 -2.947 1.00 55.43 H new ATOM 0 HG23 VAL A 17 7.627 1.464 -3.478 1.00 55.43 H new ATOM 255 N SER A 18 7.853 -1.345 -2.933 1.00 24.31 N ATOM 256 CA SER A 18 9.156 -1.761 -2.478 1.00 54.24 C ATOM 257 C SER A 18 9.337 -3.277 -2.739 1.00 63.21 C ATOM 258 O SER A 18 10.437 -3.812 -2.621 1.00 61.42 O ATOM 259 CB SER A 18 9.305 -1.426 -0.977 1.00 51.54 C ATOM 260 OG SER A 18 10.610 -1.695 -0.489 1.00 42.21 O ATOM 0 H SER A 18 7.147 -1.291 -2.199 1.00 24.31 H new ATOM 0 HA SER A 18 9.933 -1.228 -3.026 1.00 54.24 H new ATOM 0 HB2 SER A 18 9.070 -0.374 -0.818 1.00 51.54 H new ATOM 0 HB3 SER A 18 8.580 -2.005 -0.405 1.00 51.54 H new ATOM 0 HG SER A 18 10.706 -1.322 0.412 1.00 42.21 H new ATOM 266 N GLY A 19 8.244 -3.951 -3.117 1.00 65.00 N ATOM 267 CA GLY A 19 8.292 -5.383 -3.350 1.00 1.41 C ATOM 268 C GLY A 19 7.980 -6.148 -2.089 1.00 73.12 C ATOM 269 O GLY A 19 8.175 -7.359 -2.008 1.00 13.22 O ATOM 0 H GLY A 19 7.329 -3.525 -3.264 1.00 65.00 H new ATOM 0 HA2 GLY A 19 7.578 -5.652 -4.129 1.00 1.41 H new ATOM 0 HA3 GLY A 19 9.281 -5.663 -3.714 1.00 1.41 H new ATOM 273 N LYS A 20 7.502 -5.425 -1.105 1.00 13.33 N ATOM 274 CA LYS A 20 7.153 -5.976 0.185 1.00 10.23 C ATOM 275 C LYS A 20 5.645 -6.051 0.300 1.00 4.11 C ATOM 276 O LYS A 20 4.935 -5.216 -0.273 1.00 43.30 O ATOM 277 CB LYS A 20 7.753 -5.134 1.338 1.00 32.02 C ATOM 278 CG LYS A 20 9.290 -5.218 1.528 1.00 0.54 C ATOM 279 CD LYS A 20 10.074 -4.777 0.307 1.00 63.32 C ATOM 280 CE LYS A 20 11.578 -4.784 0.536 1.00 10.35 C ATOM 281 NZ LYS A 20 11.990 -3.796 1.553 1.00 41.10 N ATOM 0 H LYS A 20 7.341 -4.420 -1.178 1.00 13.33 H new ATOM 0 HA LYS A 20 7.573 -6.978 0.267 1.00 10.23 H new ATOM 0 HB2 LYS A 20 7.486 -4.090 1.173 1.00 32.02 H new ATOM 0 HB3 LYS A 20 7.277 -5.442 2.269 1.00 32.02 H new ATOM 0 HG2 LYS A 20 9.578 -4.599 2.378 1.00 0.54 H new ATOM 0 HG3 LYS A 20 9.562 -6.244 1.774 1.00 0.54 H new ATOM 0 HD2 LYS A 20 9.836 -5.435 -0.529 1.00 63.32 H new ATOM 0 HD3 LYS A 20 9.759 -3.773 0.022 1.00 63.32 H new ATOM 0 HE2 LYS A 20 11.892 -5.779 0.850 1.00 10.35 H new ATOM 0 HE3 LYS A 20 12.088 -4.571 -0.403 1.00 10.35 H new ATOM 0 HZ1 LYS A 20 13.026 -3.701 1.545 1.00 41.10 H new ATOM 0 HZ2 LYS A 20 11.556 -2.875 1.338 1.00 41.10 H new ATOM 0 HZ3 LYS A 20 11.679 -4.115 2.493 1.00 41.10 H new ATOM 295 N THR A 21 5.154 -7.016 1.026 1.00 15.13 N ATOM 296 CA THR A 21 3.735 -7.237 1.099 1.00 71.22 C ATOM 297 C THR A 21 3.176 -6.933 2.478 1.00 5.24 C ATOM 298 O THR A 21 3.894 -6.981 3.482 1.00 61.44 O ATOM 299 CB THR A 21 3.386 -8.704 0.745 1.00 5.43 C ATOM 300 OG1 THR A 21 4.051 -9.596 1.655 1.00 13.40 O ATOM 301 CG2 THR A 21 3.815 -9.034 -0.669 1.00 70.10 C ATOM 0 H THR A 21 5.716 -7.664 1.577 1.00 15.13 H new ATOM 0 HA THR A 21 3.283 -6.556 0.377 1.00 71.22 H new ATOM 0 HB THR A 21 2.306 -8.825 0.825 1.00 5.43 H new ATOM 0 HG1 THR A 21 3.826 -10.522 1.428 1.00 13.40 H new ATOM 0 HG21 THR A 21 3.559 -10.069 -0.894 1.00 70.10 H new ATOM 0 HG22 THR A 21 3.303 -8.373 -1.368 1.00 70.10 H new ATOM 0 HG23 THR A 21 4.892 -8.897 -0.764 1.00 70.10 H new ATOM 309 N LYS A 22 1.924 -6.565 2.507 1.00 30.05 N ATOM 310 CA LYS A 22 1.159 -6.458 3.742 1.00 43.43 C ATOM 311 C LYS A 22 -0.271 -6.827 3.508 1.00 5.20 C ATOM 312 O LYS A 22 -0.853 -6.482 2.490 1.00 4.45 O ATOM 313 CB LYS A 22 1.302 -5.121 4.478 1.00 21.31 C ATOM 314 CG LYS A 22 2.180 -5.212 5.733 1.00 23.54 C ATOM 315 CD LYS A 22 1.573 -6.181 6.754 1.00 2.14 C ATOM 316 CE LYS A 22 2.434 -6.334 8.006 1.00 54.45 C ATOM 317 NZ LYS A 22 2.566 -5.078 8.778 1.00 72.04 N ATOM 0 H LYS A 22 1.391 -6.326 1.671 1.00 30.05 H new ATOM 0 HA LYS A 22 1.601 -7.180 4.428 1.00 43.43 H new ATOM 0 HB2 LYS A 22 1.727 -4.383 3.798 1.00 21.31 H new ATOM 0 HB3 LYS A 22 0.312 -4.761 4.760 1.00 21.31 H new ATOM 0 HG2 LYS A 22 3.181 -5.546 5.459 1.00 23.54 H new ATOM 0 HG3 LYS A 22 2.285 -4.224 6.181 1.00 23.54 H new ATOM 0 HD2 LYS A 22 0.583 -5.827 7.040 1.00 2.14 H new ATOM 0 HD3 LYS A 22 1.440 -7.157 6.288 1.00 2.14 H new ATOM 0 HE2 LYS A 22 2.001 -7.103 8.646 1.00 54.45 H new ATOM 0 HE3 LYS A 22 3.426 -6.682 7.717 1.00 54.45 H new ATOM 0 HZ1 LYS A 22 3.118 -5.257 9.641 1.00 72.04 H new ATOM 0 HZ2 LYS A 22 3.051 -4.364 8.199 1.00 72.04 H new ATOM 0 HZ3 LYS A 22 1.621 -4.729 9.038 1.00 72.04 H new ATOM 331 N GLU A 23 -0.831 -7.534 4.439 1.00 53.31 N ATOM 332 CA GLU A 23 -2.136 -8.072 4.272 1.00 30.24 C ATOM 333 C GLU A 23 -3.043 -7.577 5.376 1.00 45.14 C ATOM 334 O GLU A 23 -2.672 -7.617 6.564 1.00 52.44 O ATOM 335 CB GLU A 23 -2.032 -9.567 4.326 1.00 74.14 C ATOM 336 CG GLU A 23 -3.242 -10.287 3.855 1.00 2.11 C ATOM 337 CD GLU A 23 -3.104 -11.754 4.095 1.00 13.54 C ATOM 338 OE1 GLU A 23 -2.401 -12.423 3.326 1.00 74.22 O ATOM 339 OE2 GLU A 23 -3.672 -12.250 5.084 1.00 54.04 O ATOM 0 H GLU A 23 -0.393 -7.752 5.334 1.00 53.31 H new ATOM 0 HA GLU A 23 -2.555 -7.757 3.316 1.00 30.24 H new ATOM 0 HB2 GLU A 23 -1.180 -9.881 3.723 1.00 74.14 H new ATOM 0 HB3 GLU A 23 -1.823 -9.867 5.353 1.00 74.14 H new ATOM 0 HG2 GLU A 23 -4.123 -9.909 4.374 1.00 2.11 H new ATOM 0 HG3 GLU A 23 -3.394 -10.099 2.792 1.00 2.11 H new ATOM 346 N PHE A 24 -4.210 -7.116 4.997 1.00 3.33 N ATOM 347 CA PHE A 24 -5.179 -6.588 5.931 1.00 20.42 C ATOM 348 C PHE A 24 -6.565 -6.958 5.458 1.00 62.21 C ATOM 349 O PHE A 24 -6.765 -7.270 4.278 1.00 14.54 O ATOM 350 CB PHE A 24 -5.094 -5.054 6.021 1.00 64.12 C ATOM 351 CG PHE A 24 -3.754 -4.502 6.417 1.00 74.15 C ATOM 352 CD1 PHE A 24 -3.387 -4.417 7.738 1.00 53.44 C ATOM 353 CD2 PHE A 24 -2.864 -4.068 5.454 1.00 42.40 C ATOM 354 CE1 PHE A 24 -2.156 -3.912 8.093 1.00 60.44 C ATOM 355 CE2 PHE A 24 -1.632 -3.561 5.806 1.00 14.12 C ATOM 356 CZ PHE A 24 -1.277 -3.484 7.127 1.00 31.22 C ATOM 0 H PHE A 24 -4.518 -7.096 4.025 1.00 3.33 H new ATOM 0 HA PHE A 24 -4.969 -7.010 6.914 1.00 20.42 H new ATOM 0 HB2 PHE A 24 -5.368 -4.635 5.053 1.00 64.12 H new ATOM 0 HB3 PHE A 24 -5.837 -4.708 6.740 1.00 64.12 H new ATOM 0 HD1 PHE A 24 -4.070 -4.749 8.505 1.00 53.44 H new ATOM 0 HD2 PHE A 24 -3.137 -4.127 4.411 1.00 42.40 H new ATOM 0 HE1 PHE A 24 -1.880 -3.852 9.135 1.00 60.44 H new ATOM 0 HE2 PHE A 24 -0.947 -3.225 5.042 1.00 14.12 H new ATOM 0 HZ PHE A 24 -0.312 -3.089 7.408 1.00 31.22 H new ATOM 366 N LEU A 25 -7.506 -6.948 6.350 1.00 0.42 N ATOM 367 CA LEU A 25 -8.862 -7.218 5.981 1.00 4.24 C ATOM 368 C LEU A 25 -9.495 -5.907 5.510 1.00 74.31 C ATOM 369 O LEU A 25 -9.474 -4.913 6.224 1.00 24.14 O ATOM 370 CB LEU A 25 -9.618 -7.761 7.201 1.00 51.11 C ATOM 371 CG LEU A 25 -11.037 -8.258 6.961 1.00 0.41 C ATOM 372 CD1 LEU A 25 -11.037 -9.440 6.007 1.00 63.44 C ATOM 373 CD2 LEU A 25 -11.693 -8.632 8.281 1.00 11.33 C ATOM 0 H LEU A 25 -7.361 -6.755 7.341 1.00 0.42 H new ATOM 0 HA LEU A 25 -8.906 -7.959 5.183 1.00 4.24 H new ATOM 0 HB2 LEU A 25 -9.037 -8.581 7.624 1.00 51.11 H new ATOM 0 HB3 LEU A 25 -9.656 -6.975 7.955 1.00 51.11 H new ATOM 0 HG LEU A 25 -11.614 -7.454 6.503 1.00 0.41 H new ATOM 0 HD11 LEU A 25 -12.060 -9.780 5.849 1.00 63.44 H new ATOM 0 HD12 LEU A 25 -10.604 -9.138 5.054 1.00 63.44 H new ATOM 0 HD13 LEU A 25 -10.447 -10.251 6.433 1.00 63.44 H new ATOM 0 HD21 LEU A 25 -12.707 -8.986 8.096 1.00 11.33 H new ATOM 0 HD22 LEU A 25 -11.116 -9.421 8.763 1.00 11.33 H new ATOM 0 HD23 LEU A 25 -11.727 -7.758 8.931 1.00 11.33 H new ATOM 385 N PHE A 26 -10.039 -5.900 4.336 1.00 11.23 N ATOM 386 CA PHE A 26 -10.673 -4.706 3.813 1.00 0.32 C ATOM 387 C PHE A 26 -12.036 -5.050 3.296 1.00 14.43 C ATOM 388 O PHE A 26 -12.418 -6.224 3.261 1.00 23.34 O ATOM 389 CB PHE A 26 -9.832 -4.022 2.705 1.00 53.23 C ATOM 390 CG PHE A 26 -8.527 -3.387 3.163 1.00 11.21 C ATOM 391 CD1 PHE A 26 -8.523 -2.129 3.757 1.00 44.10 C ATOM 392 CD2 PHE A 26 -7.312 -4.029 2.982 1.00 44.52 C ATOM 393 CE1 PHE A 26 -7.339 -1.535 4.160 1.00 35.24 C ATOM 394 CE2 PHE A 26 -6.135 -3.437 3.376 1.00 52.41 C ATOM 395 CZ PHE A 26 -6.143 -2.192 3.968 1.00 1.42 C ATOM 0 H PHE A 26 -10.063 -6.705 3.710 1.00 11.23 H new ATOM 0 HA PHE A 26 -10.755 -3.990 4.631 1.00 0.32 H new ATOM 0 HB2 PHE A 26 -9.605 -4.762 1.938 1.00 53.23 H new ATOM 0 HB3 PHE A 26 -10.443 -3.252 2.234 1.00 53.23 H new ATOM 0 HD1 PHE A 26 -9.457 -1.608 3.906 1.00 44.10 H new ATOM 0 HD2 PHE A 26 -7.289 -5.007 2.525 1.00 44.52 H new ATOM 0 HE1 PHE A 26 -7.353 -0.560 4.623 1.00 35.24 H new ATOM 0 HE2 PHE A 26 -5.198 -3.951 3.221 1.00 52.41 H new ATOM 0 HZ PHE A 26 -5.216 -1.734 4.280 1.00 1.42 H new ATOM 405 N SER A 27 -12.786 -4.075 2.926 1.00 42.42 N ATOM 406 CA SER A 27 -14.063 -4.343 2.395 1.00 53.50 C ATOM 407 C SER A 27 -13.925 -4.359 0.900 1.00 21.11 C ATOM 408 O SER A 27 -13.057 -3.674 0.351 1.00 2.23 O ATOM 409 CB SER A 27 -15.097 -3.294 2.852 1.00 31.20 C ATOM 410 OG SER A 27 -14.799 -2.001 2.355 1.00 23.43 O ATOM 0 H SER A 27 -12.534 -3.088 2.983 1.00 42.42 H new ATOM 0 HA SER A 27 -14.430 -5.304 2.755 1.00 53.50 H new ATOM 0 HB2 SER A 27 -16.089 -3.592 2.514 1.00 31.20 H new ATOM 0 HB3 SER A 27 -15.127 -3.265 3.941 1.00 31.20 H new ATOM 0 HG SER A 27 -13.921 -1.717 2.686 1.00 23.43 H new ATOM 416 N PRO A 28 -14.745 -5.125 0.202 1.00 41.51 N ATOM 417 CA PRO A 28 -14.697 -5.194 -1.256 1.00 72.45 C ATOM 418 C PRO A 28 -15.061 -3.849 -1.892 1.00 51.05 C ATOM 419 O PRO A 28 -14.850 -3.638 -3.084 1.00 52.23 O ATOM 420 CB PRO A 28 -15.740 -6.266 -1.579 1.00 25.34 C ATOM 421 CG PRO A 28 -16.665 -6.199 -0.438 1.00 72.31 C ATOM 422 CD PRO A 28 -15.784 -6.013 0.748 1.00 64.20 C ATOM 0 HA PRO A 28 -13.705 -5.428 -1.643 1.00 72.45 H new ATOM 0 HB2 PRO A 28 -16.249 -6.060 -2.521 1.00 25.34 H new ATOM 0 HB3 PRO A 28 -15.286 -7.253 -1.671 1.00 25.34 H new ATOM 0 HG2 PRO A 28 -17.367 -5.372 -0.544 1.00 72.31 H new ATOM 0 HG3 PRO A 28 -17.257 -7.110 -0.353 1.00 72.31 H new ATOM 0 HD2 PRO A 28 -16.313 -5.559 1.586 1.00 64.20 H new ATOM 0 HD3 PRO A 28 -15.372 -6.957 1.105 1.00 64.20 H new ATOM 430 N ASN A 29 -15.579 -2.947 -1.062 1.00 5.22 N ATOM 431 CA ASN A 29 -16.012 -1.628 -1.476 1.00 3.14 C ATOM 432 C ASN A 29 -14.896 -0.597 -1.343 1.00 60.23 C ATOM 433 O ASN A 29 -15.070 0.551 -1.740 1.00 64.05 O ATOM 434 CB ASN A 29 -17.236 -1.188 -0.657 1.00 43.21 C ATOM 435 CG ASN A 29 -18.452 -2.063 -0.901 1.00 52.01 C ATOM 436 OD1 ASN A 29 -18.640 -3.089 -0.240 1.00 2.23 O ATOM 437 ND2 ASN A 29 -19.296 -1.664 -1.814 1.00 34.14 N ATOM 0 H ASN A 29 -15.709 -3.122 -0.066 1.00 5.22 H new ATOM 0 HA ASN A 29 -16.285 -1.688 -2.530 1.00 3.14 H new ATOM 0 HB2 ASN A 29 -16.985 -1.210 0.403 1.00 43.21 H new ATOM 0 HB3 ASN A 29 -17.481 -0.155 -0.905 1.00 43.21 H new ATOM 0 HD21 ASN A 29 -20.141 -2.205 -1.999 1.00 34.14 H new ATOM 0 HD22 ASN A 29 -19.110 -0.811 -2.342 1.00 34.14 H new ATOM 444 N ASP A 30 -13.757 -0.988 -0.771 1.00 21.45 N ATOM 445 CA ASP A 30 -12.608 -0.061 -0.668 1.00 43.13 C ATOM 446 C ASP A 30 -11.911 0.084 -2.027 1.00 61.13 C ATOM 447 O ASP A 30 -11.940 -0.839 -2.849 1.00 74.41 O ATOM 448 CB ASP A 30 -11.569 -0.499 0.402 1.00 55.44 C ATOM 449 CG ASP A 30 -12.039 -0.406 1.838 1.00 5.12 C ATOM 450 OD1 ASP A 30 -12.147 0.717 2.373 1.00 45.42 O ATOM 451 OD2 ASP A 30 -12.307 -1.444 2.463 1.00 44.42 O ATOM 0 H ASP A 30 -13.597 -1.915 -0.378 1.00 21.45 H new ATOM 0 HA ASP A 30 -13.017 0.899 -0.353 1.00 43.13 H new ATOM 0 HB2 ASP A 30 -11.276 -1.529 0.199 1.00 55.44 H new ATOM 0 HB3 ASP A 30 -10.675 0.115 0.289 1.00 55.44 H new ATOM 456 N SER A 31 -11.291 1.232 -2.267 1.00 34.34 N ATOM 457 CA SER A 31 -10.585 1.468 -3.511 1.00 33.11 C ATOM 458 C SER A 31 -9.145 0.958 -3.401 1.00 42.02 C ATOM 459 O SER A 31 -8.389 1.421 -2.569 1.00 62.23 O ATOM 460 CB SER A 31 -10.609 2.954 -3.856 1.00 3.34 C ATOM 461 OG SER A 31 -11.941 3.417 -4.006 1.00 23.20 O ATOM 0 H SER A 31 -11.265 2.014 -1.612 1.00 34.34 H new ATOM 0 HA SER A 31 -11.083 0.923 -4.313 1.00 33.11 H new ATOM 0 HB2 SER A 31 -10.109 3.522 -3.072 1.00 3.34 H new ATOM 0 HB3 SER A 31 -10.054 3.126 -4.778 1.00 3.34 H new ATOM 0 HG SER A 31 -11.933 4.372 -4.225 1.00 23.20 H new ATOM 467 N ALA A 32 -8.798 0.022 -4.259 1.00 31.42 N ATOM 468 CA ALA A 32 -7.490 -0.670 -4.277 1.00 33.02 C ATOM 469 C ALA A 32 -6.266 0.258 -4.116 1.00 5.04 C ATOM 470 O ALA A 32 -5.460 0.064 -3.211 1.00 12.45 O ATOM 471 CB ALA A 32 -7.380 -1.415 -5.568 1.00 32.23 C ATOM 0 H ALA A 32 -9.427 -0.302 -4.994 1.00 31.42 H new ATOM 0 HA ALA A 32 -7.469 -1.331 -3.410 1.00 33.02 H new ATOM 0 HB1 ALA A 32 -6.423 -1.935 -5.607 1.00 32.23 H new ATOM 0 HB2 ALA A 32 -8.191 -2.140 -5.640 1.00 32.23 H new ATOM 0 HB3 ALA A 32 -7.446 -0.714 -6.400 1.00 32.23 H new ATOM 477 N SER A 33 -6.127 1.250 -4.972 1.00 43.54 N ATOM 478 CA SER A 33 -4.953 2.107 -4.915 1.00 33.44 C ATOM 479 C SER A 33 -5.025 3.102 -3.749 1.00 54.30 C ATOM 480 O SER A 33 -3.999 3.614 -3.280 1.00 50.13 O ATOM 481 CB SER A 33 -4.740 2.798 -6.239 1.00 5.53 C ATOM 482 OG SER A 33 -4.651 1.833 -7.268 1.00 25.13 O ATOM 0 H SER A 33 -6.798 1.483 -5.704 1.00 43.54 H new ATOM 0 HA SER A 33 -4.085 1.477 -4.724 1.00 33.44 H new ATOM 0 HB2 SER A 33 -5.563 3.484 -6.440 1.00 5.53 H new ATOM 0 HB3 SER A 33 -3.829 3.395 -6.207 1.00 5.53 H new ATOM 0 HG SER A 33 -5.535 1.700 -7.669 1.00 25.13 H new ATOM 488 N ASP A 34 -6.233 3.357 -3.278 1.00 24.30 N ATOM 489 CA ASP A 34 -6.447 4.182 -2.088 1.00 54.41 C ATOM 490 C ASP A 34 -5.929 3.390 -0.898 1.00 74.50 C ATOM 491 O ASP A 34 -5.270 3.917 0.004 1.00 34.00 O ATOM 492 CB ASP A 34 -7.945 4.466 -1.914 1.00 73.11 C ATOM 493 CG ASP A 34 -8.264 5.369 -0.741 1.00 5.12 C ATOM 494 OD1 ASP A 34 -8.287 6.602 -0.921 1.00 72.43 O ATOM 495 OD2 ASP A 34 -8.553 4.848 0.368 1.00 61.00 O ATOM 0 H ASP A 34 -7.091 3.004 -3.701 1.00 24.30 H new ATOM 0 HA ASP A 34 -5.928 5.136 -2.176 1.00 54.41 H new ATOM 0 HB2 ASP A 34 -8.327 4.923 -2.827 1.00 73.11 H new ATOM 0 HB3 ASP A 34 -8.472 3.520 -1.786 1.00 73.11 H new ATOM 500 N ILE A 35 -6.211 2.090 -0.938 1.00 64.34 N ATOM 501 CA ILE A 35 -5.742 1.149 0.052 1.00 75.10 C ATOM 502 C ILE A 35 -4.214 1.071 0.017 1.00 42.35 C ATOM 503 O ILE A 35 -3.583 1.024 1.054 1.00 73.24 O ATOM 504 CB ILE A 35 -6.304 -0.266 -0.199 1.00 20.40 C ATOM 505 CG1 ILE A 35 -7.825 -0.289 -0.160 1.00 73.11 C ATOM 506 CG2 ILE A 35 -5.763 -1.216 0.818 1.00 53.44 C ATOM 507 CD1 ILE A 35 -8.401 -1.657 -0.454 1.00 24.30 C ATOM 0 H ILE A 35 -6.779 1.665 -1.671 1.00 64.34 H new ATOM 0 HA ILE A 35 -6.087 1.502 1.024 1.00 75.10 H new ATOM 0 HB ILE A 35 -5.990 -0.571 -1.197 1.00 20.40 H new ATOM 0 HG12 ILE A 35 -8.163 0.038 0.823 1.00 73.11 H new ATOM 0 HG13 ILE A 35 -8.213 0.426 -0.885 1.00 73.11 H new ATOM 0 HG21 ILE A 35 -6.164 -2.213 0.634 1.00 53.44 H new ATOM 0 HG22 ILE A 35 -4.676 -1.244 0.748 1.00 53.44 H new ATOM 0 HG23 ILE A 35 -6.054 -0.886 1.815 1.00 53.44 H new ATOM 0 HD11 ILE A 35 -9.489 -1.610 -0.412 1.00 24.30 H new ATOM 0 HD12 ILE A 35 -8.090 -1.977 -1.449 1.00 24.30 H new ATOM 0 HD13 ILE A 35 -8.039 -2.371 0.286 1.00 24.30 H new ATOM 519 N ALA A 36 -3.638 1.042 -1.194 1.00 73.42 N ATOM 520 CA ALA A 36 -2.179 1.023 -1.389 1.00 23.33 C ATOM 521 C ALA A 36 -1.488 2.163 -0.628 1.00 63.10 C ATOM 522 O ALA A 36 -0.398 1.991 -0.095 1.00 1.04 O ATOM 523 CB ALA A 36 -1.835 1.088 -2.874 1.00 62.31 C ATOM 0 H ALA A 36 -4.169 1.031 -2.065 1.00 73.42 H new ATOM 0 HA ALA A 36 -1.807 0.082 -0.982 1.00 23.33 H new ATOM 0 HB1 ALA A 36 -0.752 1.073 -2.998 1.00 62.31 H new ATOM 0 HB2 ALA A 36 -2.271 0.230 -3.386 1.00 62.31 H new ATOM 0 HB3 ALA A 36 -2.236 2.007 -3.300 1.00 62.31 H new ATOM 529 N LYS A 37 -2.136 3.314 -0.580 1.00 14.34 N ATOM 530 CA LYS A 37 -1.632 4.452 0.160 1.00 52.13 C ATOM 531 C LYS A 37 -1.782 4.208 1.668 1.00 74.12 C ATOM 532 O LYS A 37 -0.917 4.566 2.454 1.00 75.12 O ATOM 533 CB LYS A 37 -2.396 5.711 -0.259 1.00 54.40 C ATOM 534 CG LYS A 37 -2.119 6.217 -1.677 1.00 12.33 C ATOM 535 CD LYS A 37 -0.686 6.732 -1.841 1.00 12.54 C ATOM 536 CE LYS A 37 -0.458 7.297 -3.245 1.00 40.23 C ATOM 537 NZ LYS A 37 0.888 7.895 -3.401 1.00 52.41 N ATOM 0 H LYS A 37 -3.024 3.483 -1.052 1.00 14.34 H new ATOM 0 HA LYS A 37 -0.574 4.589 -0.062 1.00 52.13 H new ATOM 0 HB2 LYS A 37 -3.464 5.513 -0.166 1.00 54.40 H new ATOM 0 HB3 LYS A 37 -2.158 6.509 0.444 1.00 54.40 H new ATOM 0 HG2 LYS A 37 -2.297 5.411 -2.389 1.00 12.33 H new ATOM 0 HG3 LYS A 37 -2.820 7.016 -1.919 1.00 12.33 H new ATOM 0 HD2 LYS A 37 -0.487 7.505 -1.098 1.00 12.54 H new ATOM 0 HD3 LYS A 37 0.018 5.921 -1.654 1.00 12.54 H new ATOM 0 HE2 LYS A 37 -0.587 6.502 -3.979 1.00 40.23 H new ATOM 0 HE3 LYS A 37 -1.215 8.052 -3.457 1.00 40.23 H new ATOM 0 HZ1 LYS A 37 0.994 8.263 -4.368 1.00 52.41 H new ATOM 0 HZ2 LYS A 37 1.004 8.672 -2.720 1.00 52.41 H new ATOM 0 HZ3 LYS A 37 1.613 7.170 -3.225 1.00 52.41 H new ATOM 551 N HIS A 38 -2.880 3.564 2.038 1.00 33.41 N ATOM 552 CA HIS A 38 -3.194 3.269 3.431 1.00 41.53 C ATOM 553 C HIS A 38 -2.253 2.202 4.015 1.00 20.23 C ATOM 554 O HIS A 38 -1.735 2.366 5.105 1.00 11.41 O ATOM 555 CB HIS A 38 -4.667 2.826 3.570 1.00 74.24 C ATOM 556 CG HIS A 38 -5.104 2.508 4.983 1.00 71.01 C ATOM 557 ND1 HIS A 38 -5.815 3.382 5.765 1.00 44.14 N ATOM 558 CD2 HIS A 38 -4.926 1.397 5.741 1.00 31.13 C ATOM 559 CE1 HIS A 38 -6.048 2.831 6.941 1.00 45.01 C ATOM 560 NE2 HIS A 38 -5.521 1.630 6.949 1.00 64.21 N ATOM 0 H HIS A 38 -3.582 3.229 1.378 1.00 33.41 H new ATOM 0 HA HIS A 38 -3.045 4.185 4.003 1.00 41.53 H new ATOM 0 HB2 HIS A 38 -5.308 3.615 3.176 1.00 74.24 H new ATOM 0 HB3 HIS A 38 -4.827 1.945 2.948 1.00 74.24 H new ATOM 0 HD2 HIS A 38 -4.410 0.496 5.445 1.00 31.13 H new ATOM 0 HE1 HIS A 38 -6.582 3.291 7.759 1.00 45.01 H new ATOM 0 HE2 HIS A 38 -5.550 0.975 7.731 1.00 64.21 H new ATOM 569 N VAL A 39 -2.073 1.107 3.285 1.00 73.52 N ATOM 570 CA VAL A 39 -1.217 0.006 3.717 1.00 24.41 C ATOM 571 C VAL A 39 0.227 0.445 3.845 1.00 54.33 C ATOM 572 O VAL A 39 0.985 -0.094 4.652 1.00 22.14 O ATOM 573 CB VAL A 39 -1.349 -1.230 2.811 1.00 41.31 C ATOM 574 CG1 VAL A 39 -2.759 -1.772 2.920 1.00 64.33 C ATOM 575 CG2 VAL A 39 -1.057 -0.881 1.384 1.00 20.45 C ATOM 0 H VAL A 39 -2.515 0.957 2.378 1.00 73.52 H new ATOM 0 HA VAL A 39 -1.565 -0.291 4.706 1.00 24.41 H new ATOM 0 HB VAL A 39 -0.629 -1.982 3.134 1.00 41.31 H new ATOM 0 HG11 VAL A 39 -2.862 -2.649 2.281 1.00 64.33 H new ATOM 0 HG12 VAL A 39 -2.963 -2.051 3.954 1.00 64.33 H new ATOM 0 HG13 VAL A 39 -3.468 -1.007 2.604 1.00 64.33 H new ATOM 0 HG21 VAL A 39 -1.157 -1.772 0.764 1.00 20.45 H new ATOM 0 HG22 VAL A 39 -1.761 -0.121 1.044 1.00 20.45 H new ATOM 0 HG23 VAL A 39 -0.040 -0.496 1.304 1.00 20.45 H new ATOM 585 N TYR A 40 0.601 1.402 3.010 1.00 73.33 N ATOM 586 CA TYR A 40 1.921 2.002 3.054 1.00 72.13 C ATOM 587 C TYR A 40 2.188 2.699 4.405 1.00 22.21 C ATOM 588 O TYR A 40 3.205 2.422 5.049 1.00 53.02 O ATOM 589 CB TYR A 40 2.059 3.013 1.897 1.00 61.22 C ATOM 590 CG TYR A 40 3.297 3.879 1.965 1.00 63.24 C ATOM 591 CD1 TYR A 40 4.536 3.391 1.605 1.00 55.32 C ATOM 592 CD2 TYR A 40 3.216 5.194 2.412 1.00 54.24 C ATOM 593 CE1 TYR A 40 5.659 4.181 1.684 1.00 73.00 C ATOM 594 CE2 TYR A 40 4.334 5.986 2.497 1.00 71.43 C ATOM 595 CZ TYR A 40 5.551 5.480 2.131 1.00 60.13 C ATOM 596 OH TYR A 40 6.672 6.269 2.232 1.00 33.42 O ATOM 0 H TYR A 40 -0.004 1.783 2.283 1.00 73.33 H new ATOM 0 HA TYR A 40 2.661 1.209 2.945 1.00 72.13 H new ATOM 0 HB2 TYR A 40 2.064 2.467 0.953 1.00 61.22 H new ATOM 0 HB3 TYR A 40 1.180 3.658 1.888 1.00 61.22 H new ATOM 0 HD1 TYR A 40 4.626 2.373 1.256 1.00 55.32 H new ATOM 0 HD2 TYR A 40 2.256 5.599 2.697 1.00 54.24 H new ATOM 0 HE1 TYR A 40 6.622 3.785 1.397 1.00 73.00 H new ATOM 0 HE2 TYR A 40 4.253 7.003 2.851 1.00 71.43 H new ATOM 0 HH TYR A 40 6.419 7.156 2.562 1.00 33.42 H new ATOM 870 N LEU A 58 -1.909 5.877 -9.609 1.00 30.41 N ATOM 871 CA LEU A 58 -2.630 4.917 -8.815 1.00 22.01 C ATOM 872 C LEU A 58 -3.214 3.882 -9.743 1.00 20.13 C ATOM 873 O LEU A 58 -4.083 4.201 -10.556 1.00 33.52 O ATOM 874 CB LEU A 58 -3.747 5.615 -8.041 1.00 14.32 C ATOM 875 CG LEU A 58 -3.311 6.673 -7.031 1.00 24.44 C ATOM 876 CD1 LEU A 58 -4.520 7.305 -6.379 1.00 33.11 C ATOM 877 CD2 LEU A 58 -2.409 6.064 -5.975 1.00 25.25 C ATOM 0 HA LEU A 58 -1.960 4.442 -8.098 1.00 22.01 H new ATOM 0 HB2 LEU A 58 -4.419 6.084 -8.759 1.00 14.32 H new ATOM 0 HB3 LEU A 58 -4.324 4.855 -7.513 1.00 14.32 H new ATOM 0 HG LEU A 58 -2.752 7.444 -7.562 1.00 24.44 H new ATOM 0 HD11 LEU A 58 -4.194 8.058 -5.661 1.00 33.11 H new ATOM 0 HD12 LEU A 58 -5.140 7.776 -7.142 1.00 33.11 H new ATOM 0 HD13 LEU A 58 -5.098 6.538 -5.864 1.00 33.11 H new ATOM 0 HD21 LEU A 58 -2.109 6.834 -5.265 1.00 25.25 H new ATOM 0 HD22 LEU A 58 -2.946 5.275 -5.449 1.00 25.25 H new ATOM 0 HD23 LEU A 58 -1.523 5.645 -6.451 1.00 25.25 H new ATOM 889 N ARG A 59 -2.718 2.671 -9.673 1.00 73.43 N ATOM 890 CA ARG A 59 -3.179 1.635 -10.553 1.00 64.21 C ATOM 891 C ARG A 59 -3.131 0.290 -9.814 1.00 35.04 C ATOM 892 O ARG A 59 -2.187 0.025 -9.057 1.00 45.41 O ATOM 893 CB ARG A 59 -2.225 1.598 -11.742 1.00 21.30 C ATOM 894 CG ARG A 59 -2.681 0.819 -12.949 1.00 45.45 C ATOM 895 CD ARG A 59 -3.830 1.513 -13.634 1.00 1.31 C ATOM 896 NE ARG A 59 -4.210 0.852 -14.882 1.00 11.12 N ATOM 897 CZ ARG A 59 -4.989 1.399 -15.818 1.00 23.34 C ATOM 898 NH1 ARG A 59 -5.424 2.647 -15.683 1.00 54.25 N ATOM 899 NH2 ARG A 59 -5.307 0.703 -16.900 1.00 15.53 N ATOM 0 H ARG A 59 -1.995 2.382 -9.014 1.00 73.43 H new ATOM 0 HA ARG A 59 -4.201 1.822 -10.882 1.00 64.21 H new ATOM 0 HB2 ARG A 59 -2.028 2.624 -12.053 1.00 21.30 H new ATOM 0 HB3 ARG A 59 -1.277 1.180 -11.405 1.00 21.30 H new ATOM 0 HG2 ARG A 59 -1.852 0.704 -13.647 1.00 45.45 H new ATOM 0 HG3 ARG A 59 -2.984 -0.183 -12.647 1.00 45.45 H new ATOM 0 HD2 ARG A 59 -4.688 1.539 -12.963 1.00 1.31 H new ATOM 0 HD3 ARG A 59 -3.556 2.547 -13.842 1.00 1.31 H new ATOM 0 HE ARG A 59 -3.856 -0.090 -15.048 1.00 11.12 H new ATOM 0 HH11 ARG A 59 -5.163 3.192 -14.861 1.00 54.25 H new ATOM 0 HH12 ARG A 59 -6.019 3.060 -16.401 1.00 54.25 H new ATOM 0 HH21 ARG A 59 -4.957 -0.248 -17.016 1.00 15.53 H new ATOM 0 HH22 ARG A 59 -5.902 1.118 -17.617 1.00 15.53 H new ATOM 913 N LEU A 60 -4.117 -0.557 -10.040 1.00 44.43 N ATOM 914 CA LEU A 60 -4.139 -1.875 -9.408 1.00 71.21 C ATOM 915 C LEU A 60 -3.964 -2.973 -10.429 1.00 5.13 C ATOM 916 O LEU A 60 -4.508 -2.893 -11.545 1.00 54.34 O ATOM 917 CB LEU A 60 -5.431 -2.151 -8.599 1.00 4.33 C ATOM 918 CG LEU A 60 -6.779 -2.035 -9.341 1.00 23.31 C ATOM 919 CD1 LEU A 60 -7.842 -2.845 -8.628 1.00 4.24 C ATOM 920 CD2 LEU A 60 -7.230 -0.599 -9.371 1.00 25.43 C ATOM 0 H LEU A 60 -4.911 -0.364 -10.651 1.00 44.43 H new ATOM 0 HA LEU A 60 -3.302 -1.870 -8.710 1.00 71.21 H new ATOM 0 HB2 LEU A 60 -5.360 -3.158 -8.187 1.00 4.33 H new ATOM 0 HB3 LEU A 60 -5.452 -1.462 -7.755 1.00 4.33 H new ATOM 0 HG LEU A 60 -6.640 -2.409 -10.355 1.00 23.31 H new ATOM 0 HD11 LEU A 60 -8.788 -2.754 -9.162 1.00 4.24 H new ATOM 0 HD12 LEU A 60 -7.542 -3.892 -8.597 1.00 4.24 H new ATOM 0 HD13 LEU A 60 -7.962 -2.472 -7.611 1.00 4.24 H new ATOM 0 HD21 LEU A 60 -8.182 -0.528 -9.897 1.00 25.43 H new ATOM 0 HD22 LEU A 60 -7.350 -0.234 -8.351 1.00 25.43 H new ATOM 0 HD23 LEU A 60 -6.484 0.006 -9.887 1.00 25.43 H new ATOM 932 N ILE A 61 -3.214 -3.990 -10.060 1.00 4.14 N ATOM 933 CA ILE A 61 -3.011 -5.138 -10.899 1.00 53.44 C ATOM 934 C ILE A 61 -3.697 -6.334 -10.270 1.00 11.51 C ATOM 935 O ILE A 61 -3.325 -6.768 -9.163 1.00 33.53 O ATOM 936 CB ILE A 61 -1.514 -5.496 -10.995 1.00 14.03 C ATOM 937 CG1 ILE A 61 -0.686 -4.317 -11.476 1.00 42.14 C ATOM 938 CG2 ILE A 61 -1.310 -6.701 -11.920 1.00 75.24 C ATOM 939 CD1 ILE A 61 0.805 -4.601 -11.506 1.00 23.24 C ATOM 0 H ILE A 61 -2.728 -4.038 -9.164 1.00 4.14 H new ATOM 0 HA ILE A 61 -3.408 -4.904 -11.887 1.00 53.44 H new ATOM 0 HB ILE A 61 -1.172 -5.756 -9.993 1.00 14.03 H new ATOM 0 HG12 ILE A 61 -1.015 -4.035 -12.476 1.00 42.14 H new ATOM 0 HG13 ILE A 61 -0.873 -3.462 -10.826 1.00 42.14 H new ATOM 0 HG21 ILE A 61 -0.248 -6.940 -11.977 1.00 75.24 H new ATOM 0 HG22 ILE A 61 -1.855 -7.559 -11.526 1.00 75.24 H new ATOM 0 HG23 ILE A 61 -1.682 -6.462 -12.916 1.00 75.24 H new ATOM 0 HD11 ILE A 61 1.337 -3.717 -11.859 1.00 23.24 H new ATOM 0 HD12 ILE A 61 1.147 -4.854 -10.503 1.00 23.24 H new ATOM 0 HD13 ILE A 61 1.003 -5.436 -12.178 1.00 23.24 H new ATOM 951 N TYR A 62 -4.664 -6.884 -10.942 1.00 73.12 N ATOM 952 CA TYR A 62 -5.267 -8.091 -10.464 1.00 1.22 C ATOM 953 C TYR A 62 -4.792 -9.244 -11.308 1.00 40.45 C ATOM 954 O TYR A 62 -5.470 -9.664 -12.236 1.00 24.31 O ATOM 955 CB TYR A 62 -6.803 -7.996 -10.394 1.00 11.30 C ATOM 956 CG TYR A 62 -7.516 -9.262 -9.998 1.00 43.41 C ATOM 957 CD1 TYR A 62 -7.211 -9.926 -8.824 1.00 73.04 C ATOM 958 CD2 TYR A 62 -8.512 -9.781 -10.804 1.00 23.31 C ATOM 959 CE1 TYR A 62 -7.871 -11.076 -8.468 1.00 54.23 C ATOM 960 CE2 TYR A 62 -9.178 -10.923 -10.463 1.00 73.24 C ATOM 961 CZ TYR A 62 -8.858 -11.574 -9.294 1.00 70.13 C ATOM 962 OH TYR A 62 -9.526 -12.729 -8.948 1.00 54.21 O ATOM 0 H TYR A 62 -5.049 -6.521 -11.814 1.00 73.12 H new ATOM 0 HA TYR A 62 -4.951 -8.260 -9.434 1.00 1.22 H new ATOM 0 HB2 TYR A 62 -7.069 -7.213 -9.684 1.00 11.30 H new ATOM 0 HB3 TYR A 62 -7.174 -7.681 -11.369 1.00 11.30 H new ATOM 0 HD1 TYR A 62 -6.441 -9.533 -8.176 1.00 73.04 H new ATOM 0 HD2 TYR A 62 -8.768 -9.273 -11.722 1.00 23.31 H new ATOM 0 HE1 TYR A 62 -7.620 -11.586 -7.550 1.00 54.23 H new ATOM 0 HE2 TYR A 62 -9.952 -11.313 -11.107 1.00 73.24 H new ATOM 0 HH TYR A 62 -10.190 -12.942 -9.637 1.00 54.21 H new ATOM 972 N GLN A 63 -3.547 -9.636 -11.033 1.00 53.42 N ATOM 973 CA GLN A 63 -2.848 -10.744 -11.673 1.00 2.50 C ATOM 974 C GLN A 63 -3.127 -10.949 -13.143 1.00 42.14 C ATOM 975 O GLN A 63 -3.981 -11.751 -13.536 1.00 3.33 O ATOM 976 CB GLN A 63 -2.854 -12.017 -10.840 1.00 24.24 C ATOM 977 CG GLN A 63 -2.048 -11.854 -9.608 1.00 55.02 C ATOM 978 CD GLN A 63 -0.642 -11.491 -9.975 1.00 32.35 C ATOM 979 OE1 GLN A 63 -0.322 -10.320 -10.121 1.00 62.31 O ATOM 980 NE2 GLN A 63 0.199 -12.466 -10.134 1.00 61.44 N ATOM 0 H GLN A 63 -2.977 -9.168 -10.328 1.00 53.42 H new ATOM 0 HA GLN A 63 -1.809 -10.414 -11.693 1.00 2.50 H new ATOM 0 HB2 GLN A 63 -3.879 -12.277 -10.576 1.00 24.24 H new ATOM 0 HB3 GLN A 63 -2.458 -12.843 -11.430 1.00 24.24 H new ATOM 0 HG2 GLN A 63 -2.482 -11.079 -8.977 1.00 55.02 H new ATOM 0 HG3 GLN A 63 -2.057 -12.778 -9.030 1.00 55.02 H new ATOM 0 HE21 GLN A 63 -0.107 -13.430 -10.003 1.00 61.44 H new ATOM 0 HE22 GLN A 63 1.166 -12.268 -10.390 1.00 61.44 H new ATOM 989 N GLY A 64 -2.420 -10.206 -13.943 1.00 65.33 N ATOM 990 CA GLY A 64 -2.605 -10.248 -15.351 1.00 41.40 C ATOM 991 C GLY A 64 -2.670 -8.863 -15.924 1.00 70.42 C ATOM 992 O GLY A 64 -1.792 -8.453 -16.695 1.00 62.45 O ATOM 0 H GLY A 64 -1.700 -9.555 -13.630 1.00 65.33 H new ATOM 0 HA2 GLY A 64 -1.786 -10.799 -15.813 1.00 41.40 H new ATOM 0 HA3 GLY A 64 -3.523 -10.786 -15.585 1.00 41.40 H new ATOM 996 N ARG A 65 -3.671 -8.108 -15.530 1.00 55.41 N ATOM 997 CA ARG A 65 -3.832 -6.783 -16.072 1.00 52.43 C ATOM 998 C ARG A 65 -4.040 -5.745 -14.987 1.00 1.41 C ATOM 999 O ARG A 65 -4.475 -6.063 -13.864 1.00 5.21 O ATOM 1000 CB ARG A 65 -4.981 -6.732 -17.097 1.00 2.13 C ATOM 1001 CG ARG A 65 -6.370 -6.998 -16.534 1.00 23.24 C ATOM 1002 CD ARG A 65 -7.416 -6.975 -17.637 1.00 44.02 C ATOM 1003 NE ARG A 65 -8.782 -7.153 -17.133 1.00 43.22 N ATOM 1004 CZ ARG A 65 -9.530 -8.245 -17.320 1.00 70.34 C ATOM 1005 NH1 ARG A 65 -9.002 -9.332 -17.881 1.00 75.11 N ATOM 1006 NH2 ARG A 65 -10.798 -8.250 -16.928 1.00 43.13 N ATOM 0 H ARG A 65 -4.375 -8.386 -14.846 1.00 55.41 H new ATOM 0 HA ARG A 65 -2.902 -6.540 -16.586 1.00 52.43 H new ATOM 0 HB2 ARG A 65 -4.981 -5.750 -17.569 1.00 2.13 H new ATOM 0 HB3 ARG A 65 -4.779 -7.462 -17.881 1.00 2.13 H new ATOM 0 HG2 ARG A 65 -6.385 -7.966 -16.034 1.00 23.24 H new ATOM 0 HG3 ARG A 65 -6.612 -6.247 -15.782 1.00 23.24 H new ATOM 0 HD2 ARG A 65 -7.352 -6.027 -18.171 1.00 44.02 H new ATOM 0 HD3 ARG A 65 -7.194 -7.763 -18.357 1.00 44.02 H new ATOM 0 HE ARG A 65 -9.192 -6.386 -16.600 1.00 43.22 H new ATOM 0 HH11 ARG A 65 -8.024 -9.333 -18.170 1.00 75.11 H new ATOM 0 HH12 ARG A 65 -9.576 -10.163 -18.022 1.00 75.11 H new ATOM 0 HH21 ARG A 65 -11.198 -7.423 -16.486 1.00 43.13 H new ATOM 0 HH22 ARG A 65 -11.372 -9.081 -17.069 1.00 43.13 H new ATOM 1020 N PHE A 66 -3.715 -4.527 -15.331 1.00 14.12 N ATOM 1021 CA PHE A 66 -3.921 -3.374 -14.494 1.00 3.13 C ATOM 1022 C PHE A 66 -5.336 -2.914 -14.814 1.00 23.42 C ATOM 1023 O PHE A 66 -5.592 -2.487 -15.940 1.00 61.03 O ATOM 1024 CB PHE A 66 -2.927 -2.254 -14.889 1.00 15.11 C ATOM 1025 CG PHE A 66 -1.436 -2.596 -14.850 1.00 63.21 C ATOM 1026 CD1 PHE A 66 -0.898 -3.594 -15.659 1.00 1.02 C ATOM 1027 CD2 PHE A 66 -0.574 -1.882 -14.036 1.00 32.33 C ATOM 1028 CE1 PHE A 66 0.451 -3.870 -15.649 1.00 24.04 C ATOM 1029 CE2 PHE A 66 0.782 -2.163 -14.023 1.00 41.23 C ATOM 1030 CZ PHE A 66 1.290 -3.156 -14.830 1.00 23.22 C ATOM 0 H PHE A 66 -3.286 -4.303 -16.229 1.00 14.12 H new ATOM 0 HA PHE A 66 -3.775 -3.601 -13.438 1.00 3.13 H new ATOM 0 HB2 PHE A 66 -3.172 -1.926 -15.899 1.00 15.11 H new ATOM 0 HB3 PHE A 66 -3.096 -1.404 -14.228 1.00 15.11 H new ATOM 0 HD1 PHE A 66 -1.551 -4.162 -16.306 1.00 1.02 H new ATOM 0 HD2 PHE A 66 -0.963 -1.097 -13.404 1.00 32.33 H new ATOM 0 HE1 PHE A 66 0.849 -4.647 -16.285 1.00 24.04 H new ATOM 0 HE2 PHE A 66 1.442 -1.602 -13.378 1.00 41.23 H new ATOM 0 HZ PHE A 66 2.348 -3.373 -14.819 1.00 23.22 H new ATOM 1040 N LEU A 67 -6.249 -2.996 -13.865 1.00 72.31 N ATOM 1041 CA LEU A 67 -7.677 -2.808 -14.206 1.00 72.53 C ATOM 1042 C LEU A 67 -8.008 -1.350 -14.522 1.00 52.41 C ATOM 1043 O LEU A 67 -8.529 -1.047 -15.584 1.00 2.22 O ATOM 1044 CB LEU A 67 -8.609 -3.275 -13.048 1.00 70.21 C ATOM 1045 CG LEU A 67 -8.445 -4.707 -12.493 1.00 1.54 C ATOM 1046 CD1 LEU A 67 -8.430 -5.761 -13.572 1.00 42.25 C ATOM 1047 CD2 LEU A 67 -7.270 -4.824 -11.547 1.00 1.43 C ATOM 0 H LEU A 67 -6.055 -3.184 -12.881 1.00 72.31 H new ATOM 0 HA LEU A 67 -7.850 -3.418 -15.093 1.00 72.53 H new ATOM 0 HB2 LEU A 67 -8.476 -2.582 -12.217 1.00 70.21 H new ATOM 0 HB3 LEU A 67 -9.639 -3.169 -13.390 1.00 70.21 H new ATOM 0 HG LEU A 67 -9.339 -4.906 -11.902 1.00 1.54 H new ATOM 0 HD11 LEU A 67 -8.312 -6.745 -13.118 1.00 42.25 H new ATOM 0 HD12 LEU A 67 -9.368 -5.727 -14.127 1.00 42.25 H new ATOM 0 HD13 LEU A 67 -7.599 -5.573 -14.252 1.00 42.25 H new ATOM 0 HD21 LEU A 67 -7.196 -5.849 -11.184 1.00 1.43 H new ATOM 0 HD22 LEU A 67 -6.352 -4.558 -12.072 1.00 1.43 H new ATOM 0 HD23 LEU A 67 -7.414 -4.149 -10.703 1.00 1.43 H new ATOM 1059 N HIS A 68 -7.596 -0.479 -13.630 1.00 2.13 N ATOM 1060 CA HIS A 68 -7.840 0.979 -13.642 1.00 62.32 C ATOM 1061 C HIS A 68 -7.173 1.528 -12.410 1.00 11.10 C ATOM 1062 O HIS A 68 -6.300 0.857 -11.844 1.00 41.03 O ATOM 1063 CB HIS A 68 -9.360 1.368 -13.625 1.00 12.24 C ATOM 1064 CG HIS A 68 -10.096 1.274 -14.930 1.00 74.21 C ATOM 1065 ND1 HIS A 68 -11.213 0.489 -15.122 1.00 60.31 N ATOM 1066 CD2 HIS A 68 -9.888 1.909 -16.102 1.00 13.43 C ATOM 1067 CE1 HIS A 68 -11.651 0.649 -16.348 1.00 1.23 C ATOM 1068 NE2 HIS A 68 -10.864 1.505 -16.966 1.00 50.52 N ATOM 0 H HIS A 68 -7.047 -0.768 -12.820 1.00 2.13 H new ATOM 0 HA HIS A 68 -7.441 1.392 -14.569 1.00 62.32 H new ATOM 0 HB2 HIS A 68 -9.867 0.728 -12.902 1.00 12.24 H new ATOM 0 HB3 HIS A 68 -9.445 2.391 -13.260 1.00 12.24 H new ATOM 0 HD2 HIS A 68 -9.094 2.609 -16.317 1.00 13.43 H new ATOM 0 HE1 HIS A 68 -12.513 0.161 -16.778 1.00 1.23 H new ATOM 0 HE2 HIS A 68 -10.967 1.815 -17.932 1.00 50.52 H new ATOM 1077 N GLY A 69 -7.553 2.715 -11.994 1.00 34.43 N ATOM 1078 CA GLY A 69 -6.938 3.325 -10.850 1.00 73.10 C ATOM 1079 C GLY A 69 -7.515 2.913 -9.496 1.00 1.22 C ATOM 1080 O GLY A 69 -6.772 2.575 -8.605 1.00 3.32 O ATOM 0 H GLY A 69 -8.285 3.272 -12.434 1.00 34.43 H new ATOM 0 HA2 GLY A 69 -5.875 3.086 -10.860 1.00 73.10 H new ATOM 0 HA3 GLY A 69 -7.023 4.407 -10.947 1.00 73.10 H new ATOM 1084 N ASN A 70 -8.825 2.896 -9.352 1.00 71.51 N ATOM 1085 CA ASN A 70 -9.456 2.678 -8.034 1.00 23.25 C ATOM 1086 C ASN A 70 -10.593 1.694 -8.076 1.00 10.03 C ATOM 1087 O ASN A 70 -11.553 1.813 -7.307 1.00 71.30 O ATOM 1088 CB ASN A 70 -9.940 4.006 -7.421 1.00 34.24 C ATOM 1089 CG ASN A 70 -8.824 4.853 -6.844 1.00 35.10 C ATOM 1090 OD1 ASN A 70 -7.809 4.333 -6.371 1.00 0.23 O ATOM 1091 ND2 ASN A 70 -9.002 6.149 -6.862 1.00 60.23 N ATOM 0 H ASN A 70 -9.484 3.028 -10.119 1.00 71.51 H new ATOM 0 HA ASN A 70 -8.678 2.248 -7.403 1.00 23.25 H new ATOM 0 HB2 ASN A 70 -10.462 4.581 -8.186 1.00 34.24 H new ATOM 0 HB3 ASN A 70 -10.664 3.791 -6.635 1.00 34.24 H new ATOM 0 HD21 ASN A 70 -8.288 6.767 -6.476 1.00 60.23 H new ATOM 0 HD22 ASN A 70 -9.855 6.541 -7.262 1.00 60.23 H new ATOM 1098 N VAL A 71 -10.472 0.697 -8.922 1.00 31.51 N ATOM 1099 CA VAL A 71 -11.469 -0.362 -8.997 1.00 63.40 C ATOM 1100 C VAL A 71 -11.534 -1.093 -7.668 1.00 55.23 C ATOM 1101 O VAL A 71 -10.499 -1.346 -7.031 1.00 52.00 O ATOM 1102 CB VAL A 71 -11.159 -1.362 -10.153 1.00 14.42 C ATOM 1103 CG1 VAL A 71 -12.095 -2.555 -10.127 1.00 75.55 C ATOM 1104 CG2 VAL A 71 -11.313 -0.663 -11.466 1.00 3.32 C ATOM 0 H VAL A 71 -9.693 0.591 -9.572 1.00 31.51 H new ATOM 0 HA VAL A 71 -12.436 0.093 -9.211 1.00 63.40 H new ATOM 0 HB VAL A 71 -10.138 -1.720 -10.020 1.00 14.42 H new ATOM 0 HG11 VAL A 71 -11.848 -3.229 -10.947 1.00 75.55 H new ATOM 0 HG12 VAL A 71 -11.987 -3.082 -9.179 1.00 75.55 H new ATOM 0 HG13 VAL A 71 -13.124 -2.213 -10.236 1.00 75.55 H new ATOM 0 HG21 VAL A 71 -11.097 -1.359 -12.276 1.00 3.32 H new ATOM 0 HG22 VAL A 71 -12.335 -0.296 -11.565 1.00 3.32 H new ATOM 0 HG23 VAL A 71 -10.620 0.177 -11.515 1.00 3.32 H new ATOM 1114 N THR A 72 -12.729 -1.383 -7.237 1.00 51.33 N ATOM 1115 CA THR A 72 -12.926 -2.044 -5.997 1.00 72.34 C ATOM 1116 C THR A 72 -12.656 -3.530 -6.130 1.00 14.14 C ATOM 1117 O THR A 72 -12.750 -4.096 -7.225 1.00 50.51 O ATOM 1118 CB THR A 72 -14.356 -1.810 -5.478 1.00 53.40 C ATOM 1119 OG1 THR A 72 -15.317 -2.125 -6.515 1.00 44.43 O ATOM 1120 CG2 THR A 72 -14.540 -0.370 -5.019 1.00 51.12 C ATOM 0 H THR A 72 -13.588 -1.164 -7.742 1.00 51.33 H new ATOM 0 HA THR A 72 -12.221 -1.627 -5.278 1.00 72.34 H new ATOM 0 HB THR A 72 -14.521 -2.466 -4.623 1.00 53.40 H new ATOM 0 HG1 THR A 72 -16.224 -1.975 -6.177 1.00 44.43 H new ATOM 0 HG21 THR A 72 -15.559 -0.231 -4.657 1.00 51.12 H new ATOM 0 HG22 THR A 72 -13.836 -0.151 -4.216 1.00 51.12 H new ATOM 0 HG23 THR A 72 -14.357 0.305 -5.855 1.00 51.12 H new ATOM 1128 N LEU A 73 -12.344 -4.149 -5.021 1.00 14.12 N ATOM 1129 CA LEU A 73 -12.043 -5.549 -4.972 1.00 41.34 C ATOM 1130 C LEU A 73 -13.275 -6.364 -5.348 1.00 25.33 C ATOM 1131 O LEU A 73 -13.179 -7.394 -5.996 1.00 72.21 O ATOM 1132 CB LEU A 73 -11.542 -5.944 -3.581 1.00 33.40 C ATOM 1133 CG LEU A 73 -10.277 -5.227 -3.058 1.00 64.12 C ATOM 1134 CD1 LEU A 73 -9.162 -5.234 -4.086 1.00 1.21 C ATOM 1135 CD2 LEU A 73 -10.561 -3.818 -2.537 1.00 0.04 C ATOM 0 H LEU A 73 -12.292 -3.684 -4.115 1.00 14.12 H new ATOM 0 HA LEU A 73 -11.252 -5.760 -5.691 1.00 41.34 H new ATOM 0 HB2 LEU A 73 -12.349 -5.769 -2.869 1.00 33.40 H new ATOM 0 HB3 LEU A 73 -11.346 -7.016 -3.584 1.00 33.40 H new ATOM 0 HG LEU A 73 -9.935 -5.803 -2.199 1.00 64.12 H new ATOM 0 HD11 LEU A 73 -8.290 -4.721 -3.681 1.00 1.21 H new ATOM 0 HD12 LEU A 73 -8.897 -6.263 -4.328 1.00 1.21 H new ATOM 0 HD13 LEU A 73 -9.496 -4.723 -4.989 1.00 1.21 H new ATOM 0 HD21 LEU A 73 -9.634 -3.367 -2.184 1.00 0.04 H new ATOM 0 HD22 LEU A 73 -10.977 -3.210 -3.340 1.00 0.04 H new ATOM 0 HD23 LEU A 73 -11.275 -3.871 -1.715 1.00 0.04 H new ATOM 1147 N GLY A 74 -14.439 -5.871 -4.950 1.00 43.34 N ATOM 1148 CA GLY A 74 -15.686 -6.521 -5.301 1.00 2.52 C ATOM 1149 C GLY A 74 -15.909 -6.544 -6.806 1.00 32.43 C ATOM 1150 O GLY A 74 -16.399 -7.534 -7.356 1.00 65.30 O ATOM 0 H GLY A 74 -14.542 -5.027 -4.387 1.00 43.34 H new ATOM 0 HA2 GLY A 74 -15.684 -7.542 -4.919 1.00 2.52 H new ATOM 0 HA3 GLY A 74 -16.514 -6.002 -4.819 1.00 2.52 H new ATOM 1154 N ALA A 75 -15.498 -5.467 -7.481 1.00 23.44 N ATOM 1155 CA ALA A 75 -15.657 -5.351 -8.931 1.00 4.50 C ATOM 1156 C ALA A 75 -14.755 -6.344 -9.660 1.00 14.10 C ATOM 1157 O ALA A 75 -14.969 -6.652 -10.830 1.00 61.44 O ATOM 1158 CB ALA A 75 -15.375 -3.926 -9.399 1.00 22.10 C ATOM 0 H ALA A 75 -15.051 -4.661 -7.044 1.00 23.44 H new ATOM 0 HA ALA A 75 -16.693 -5.590 -9.173 1.00 4.50 H new ATOM 0 HB1 ALA A 75 -15.500 -3.867 -10.480 1.00 22.10 H new ATOM 0 HB2 ALA A 75 -16.070 -3.240 -8.915 1.00 22.10 H new ATOM 0 HB3 ALA A 75 -14.353 -3.652 -9.136 1.00 22.10 H new ATOM 1164 N LEU A 76 -13.777 -6.866 -8.943 1.00 44.01 N ATOM 1165 CA LEU A 76 -12.799 -7.817 -9.472 1.00 12.32 C ATOM 1166 C LEU A 76 -13.348 -9.247 -9.438 1.00 3.13 C ATOM 1167 O LEU A 76 -12.597 -10.213 -9.631 1.00 5.21 O ATOM 1168 CB LEU A 76 -11.549 -7.761 -8.619 1.00 15.33 C ATOM 1169 CG LEU A 76 -10.884 -6.412 -8.471 1.00 53.11 C ATOM 1170 CD1 LEU A 76 -9.735 -6.522 -7.533 1.00 45.14 C ATOM 1171 CD2 LEU A 76 -10.397 -5.909 -9.795 1.00 12.13 C ATOM 0 H LEU A 76 -13.632 -6.641 -7.959 1.00 44.01 H new ATOM 0 HA LEU A 76 -12.579 -7.548 -10.505 1.00 12.32 H new ATOM 0 HB2 LEU A 76 -11.801 -8.127 -7.623 1.00 15.33 H new ATOM 0 HB3 LEU A 76 -10.820 -8.455 -9.038 1.00 15.33 H new ATOM 0 HG LEU A 76 -11.618 -5.708 -8.079 1.00 53.11 H new ATOM 0 HD11 LEU A 76 -9.257 -5.548 -7.428 1.00 45.14 H new ATOM 0 HD12 LEU A 76 -10.091 -6.859 -6.559 1.00 45.14 H new ATOM 0 HD13 LEU A 76 -9.014 -7.240 -7.924 1.00 45.14 H new ATOM 0 HD21 LEU A 76 -9.922 -4.937 -9.663 1.00 12.13 H new ATOM 0 HD22 LEU A 76 -9.674 -6.613 -10.208 1.00 12.13 H new ATOM 0 HD23 LEU A 76 -11.240 -5.811 -10.479 1.00 12.13 H new ATOM 1183 N LYS A 77 -14.663 -9.370 -9.197 1.00 64.14 N ATOM 1184 CA LYS A 77 -15.377 -10.665 -9.116 1.00 61.53 C ATOM 1185 C LYS A 77 -14.928 -11.446 -7.886 1.00 54.15 C ATOM 1186 O LYS A 77 -15.132 -12.656 -7.801 1.00 51.12 O ATOM 1187 CB LYS A 77 -15.204 -11.563 -10.389 1.00 11.32 C ATOM 1188 CG LYS A 77 -15.725 -11.011 -11.725 1.00 73.12 C ATOM 1189 CD LYS A 77 -14.878 -9.871 -12.272 1.00 23.24 C ATOM 1190 CE LYS A 77 -15.404 -9.365 -13.598 1.00 3.41 C ATOM 1191 NZ LYS A 77 -15.424 -10.423 -14.641 1.00 62.35 N ATOM 0 H LYS A 77 -15.273 -8.566 -9.050 1.00 64.14 H new ATOM 0 HA LYS A 77 -16.435 -10.414 -9.044 1.00 61.53 H new ATOM 0 HB2 LYS A 77 -14.142 -11.779 -10.506 1.00 11.32 H new ATOM 0 HB3 LYS A 77 -15.704 -12.513 -10.200 1.00 11.32 H new ATOM 0 HG2 LYS A 77 -15.754 -11.818 -12.458 1.00 73.12 H new ATOM 0 HG3 LYS A 77 -16.749 -10.663 -11.593 1.00 73.12 H new ATOM 0 HD2 LYS A 77 -14.861 -9.053 -11.552 1.00 23.24 H new ATOM 0 HD3 LYS A 77 -13.849 -10.209 -12.394 1.00 23.24 H new ATOM 0 HE2 LYS A 77 -16.413 -8.975 -13.461 1.00 3.41 H new ATOM 0 HE3 LYS A 77 -14.785 -8.535 -13.938 1.00 3.41 H new ATOM 0 HZ1 LYS A 77 -15.561 -9.987 -15.575 1.00 62.35 H new ATOM 0 HZ2 LYS A 77 -14.522 -10.940 -14.629 1.00 62.35 H new ATOM 0 HZ3 LYS A 77 -16.204 -11.084 -14.450 1.00 62.35 H new ATOM 1205 N LEU A 78 -14.348 -10.745 -6.931 1.00 51.24 N ATOM 1206 CA LEU A 78 -13.834 -11.365 -5.728 1.00 11.24 C ATOM 1207 C LEU A 78 -14.938 -11.625 -4.733 1.00 61.30 C ATOM 1208 O LEU A 78 -15.599 -10.688 -4.264 1.00 71.14 O ATOM 1209 CB LEU A 78 -12.760 -10.492 -5.085 1.00 10.32 C ATOM 1210 CG LEU A 78 -11.520 -10.226 -5.924 1.00 72.13 C ATOM 1211 CD1 LEU A 78 -10.591 -9.271 -5.214 1.00 32.31 C ATOM 1212 CD2 LEU A 78 -10.803 -11.514 -6.227 1.00 41.45 C ATOM 0 H LEU A 78 -14.221 -9.734 -6.968 1.00 51.24 H new ATOM 0 HA LEU A 78 -13.393 -12.319 -6.016 1.00 11.24 H new ATOM 0 HB2 LEU A 78 -13.209 -9.534 -4.823 1.00 10.32 H new ATOM 0 HB3 LEU A 78 -12.448 -10.963 -4.153 1.00 10.32 H new ATOM 0 HG LEU A 78 -11.836 -9.771 -6.863 1.00 72.13 H new ATOM 0 HD11 LEU A 78 -9.710 -9.094 -5.831 1.00 32.31 H new ATOM 0 HD12 LEU A 78 -11.106 -8.327 -5.037 1.00 32.31 H new ATOM 0 HD13 LEU A 78 -10.285 -9.702 -4.261 1.00 32.31 H new ATOM 0 HD21 LEU A 78 -9.918 -11.305 -6.828 1.00 41.45 H new ATOM 0 HD22 LEU A 78 -10.503 -11.992 -5.294 1.00 41.45 H new ATOM 0 HD23 LEU A 78 -11.467 -12.179 -6.778 1.00 41.45 H new ATOM 1224 N PRO A 79 -15.183 -12.892 -4.415 1.00 53.32 N ATOM 1225 CA PRO A 79 -16.148 -13.254 -3.417 1.00 13.40 C ATOM 1226 C PRO A 79 -15.586 -13.041 -2.018 1.00 15.11 C ATOM 1227 O PRO A 79 -14.357 -12.967 -1.819 1.00 12.13 O ATOM 1228 CB PRO A 79 -16.399 -14.735 -3.681 1.00 61.13 C ATOM 1229 CG PRO A 79 -15.133 -15.227 -4.268 1.00 51.24 C ATOM 1230 CD PRO A 79 -14.546 -14.074 -5.025 1.00 61.44 C ATOM 0 HA PRO A 79 -17.057 -12.654 -3.469 1.00 13.40 H new ATOM 0 HB2 PRO A 79 -16.643 -15.266 -2.761 1.00 61.13 H new ATOM 0 HB3 PRO A 79 -17.236 -14.880 -4.364 1.00 61.13 H new ATOM 0 HG2 PRO A 79 -14.451 -15.569 -3.490 1.00 51.24 H new ATOM 0 HG3 PRO A 79 -15.314 -16.075 -4.929 1.00 51.24 H new ATOM 0 HD2 PRO A 79 -13.461 -14.040 -4.925 1.00 61.44 H new ATOM 0 HD3 PRO A 79 -14.766 -14.142 -6.091 1.00 61.44 H new ATOM 1238 N PHE A 80 -16.464 -12.970 -1.073 1.00 64.11 N ATOM 1239 CA PHE A 80 -16.115 -12.734 0.298 1.00 52.14 C ATOM 1240 C PHE A 80 -15.627 -14.033 0.905 1.00 20.31 C ATOM 1241 O PHE A 80 -15.858 -15.115 0.344 1.00 62.31 O ATOM 1242 CB PHE A 80 -17.346 -12.281 1.075 1.00 2.43 C ATOM 1243 CG PHE A 80 -18.029 -11.047 0.557 1.00 3.44 C ATOM 1244 CD1 PHE A 80 -18.944 -11.123 -0.480 1.00 14.32 C ATOM 1245 CD2 PHE A 80 -17.784 -9.826 1.130 1.00 45.42 C ATOM 1246 CE1 PHE A 80 -19.591 -9.994 -0.934 1.00 21.03 C ATOM 1247 CE2 PHE A 80 -18.432 -8.699 0.689 1.00 44.53 C ATOM 1248 CZ PHE A 80 -19.335 -8.781 -0.348 1.00 11.10 C ATOM 0 H PHE A 80 -17.466 -13.076 -1.231 1.00 64.11 H new ATOM 0 HA PHE A 80 -15.343 -11.966 0.346 1.00 52.14 H new ATOM 0 HB2 PHE A 80 -18.068 -13.097 1.082 1.00 2.43 H new ATOM 0 HB3 PHE A 80 -17.054 -12.104 2.110 1.00 2.43 H new ATOM 0 HD1 PHE A 80 -19.153 -12.078 -0.938 1.00 14.32 H new ATOM 0 HD2 PHE A 80 -17.072 -9.750 1.939 1.00 45.42 H new ATOM 0 HE1 PHE A 80 -20.297 -10.064 -1.748 1.00 21.03 H new ATOM 0 HE2 PHE A 80 -18.233 -7.746 1.156 1.00 44.53 H new ATOM 0 HZ PHE A 80 -19.840 -7.893 -0.698 1.00 11.10 H new ATOM 1258 N GLY A 81 -14.966 -13.939 2.022 1.00 14.34 N ATOM 1259 CA GLY A 81 -14.535 -15.123 2.722 1.00 11.23 C ATOM 1260 C GLY A 81 -13.228 -15.720 2.221 1.00 74.21 C ATOM 1261 O GLY A 81 -12.766 -16.726 2.764 1.00 30.44 O ATOM 0 H GLY A 81 -14.712 -13.059 2.470 1.00 14.34 H new ATOM 0 HA2 GLY A 81 -14.427 -14.884 3.780 1.00 11.23 H new ATOM 0 HA3 GLY A 81 -15.317 -15.879 2.645 1.00 11.23 H new ATOM 1265 N LYS A 82 -12.609 -15.122 1.216 1.00 74.25 N ATOM 1266 CA LYS A 82 -11.375 -15.686 0.719 1.00 41.11 C ATOM 1267 C LYS A 82 -10.220 -14.676 0.720 1.00 24.40 C ATOM 1268 O LYS A 82 -10.437 -13.451 0.720 1.00 54.01 O ATOM 1269 CB LYS A 82 -11.571 -16.448 -0.640 1.00 25.44 C ATOM 1270 CG LYS A 82 -11.965 -15.637 -1.891 1.00 11.24 C ATOM 1271 CD LYS A 82 -10.801 -14.803 -2.416 1.00 2.43 C ATOM 1272 CE LYS A 82 -11.083 -14.210 -3.784 1.00 0.33 C ATOM 1273 NZ LYS A 82 -11.230 -15.257 -4.836 1.00 64.11 N ATOM 0 H LYS A 82 -12.930 -14.276 0.745 1.00 74.25 H new ATOM 0 HA LYS A 82 -11.067 -16.454 1.429 1.00 41.11 H new ATOM 0 HB2 LYS A 82 -10.641 -16.970 -0.864 1.00 25.44 H new ATOM 0 HB3 LYS A 82 -12.335 -17.210 -0.485 1.00 25.44 H new ATOM 0 HG2 LYS A 82 -12.306 -16.317 -2.672 1.00 11.24 H new ATOM 0 HG3 LYS A 82 -12.802 -14.982 -1.650 1.00 11.24 H new ATOM 0 HD2 LYS A 82 -10.587 -13.999 -1.712 1.00 2.43 H new ATOM 0 HD3 LYS A 82 -9.908 -15.425 -2.470 1.00 2.43 H new ATOM 0 HE2 LYS A 82 -11.994 -13.614 -3.738 1.00 0.33 H new ATOM 0 HE3 LYS A 82 -10.273 -13.534 -4.058 1.00 0.33 H new ATOM 0 HZ1 LYS A 82 -11.184 -14.814 -5.776 1.00 64.11 H new ATOM 0 HZ2 LYS A 82 -10.462 -15.953 -4.743 1.00 64.11 H new ATOM 0 HZ3 LYS A 82 -12.146 -15.736 -4.724 1.00 64.11 H new ATOM 1287 N THR A 83 -9.013 -15.195 0.729 1.00 24.32 N ATOM 1288 CA THR A 83 -7.808 -14.395 0.792 1.00 40.13 C ATOM 1289 C THR A 83 -7.331 -14.044 -0.619 1.00 15.15 C ATOM 1290 O THR A 83 -7.052 -14.932 -1.426 1.00 71.42 O ATOM 1291 CB THR A 83 -6.710 -15.191 1.518 1.00 71.44 C ATOM 1292 OG1 THR A 83 -7.242 -15.679 2.760 1.00 31.54 O ATOM 1293 CG2 THR A 83 -5.500 -14.314 1.805 1.00 5.42 C ATOM 0 H THR A 83 -8.837 -16.199 0.692 1.00 24.32 H new ATOM 0 HA THR A 83 -8.020 -13.473 1.333 1.00 40.13 H new ATOM 0 HB THR A 83 -6.393 -16.017 0.881 1.00 71.44 H new ATOM 0 HG1 THR A 83 -6.552 -16.190 3.233 1.00 31.54 H new ATOM 0 HG21 THR A 83 -4.739 -14.901 2.319 1.00 5.42 H new ATOM 0 HG22 THR A 83 -5.094 -13.935 0.867 1.00 5.42 H new ATOM 0 HG23 THR A 83 -5.799 -13.477 2.435 1.00 5.42 H new ATOM 1301 N THR A 84 -7.240 -12.771 -0.907 1.00 15.41 N ATOM 1302 CA THR A 84 -6.850 -12.329 -2.227 1.00 14.41 C ATOM 1303 C THR A 84 -5.479 -11.621 -2.190 1.00 52.43 C ATOM 1304 O THR A 84 -5.224 -10.799 -1.309 1.00 1.44 O ATOM 1305 CB THR A 84 -7.897 -11.350 -2.787 1.00 13.43 C ATOM 1306 OG1 THR A 84 -9.199 -11.943 -2.669 1.00 14.42 O ATOM 1307 CG2 THR A 84 -7.616 -11.055 -4.253 1.00 50.21 C ATOM 0 H THR A 84 -7.431 -12.018 -0.245 1.00 15.41 H new ATOM 0 HA THR A 84 -6.781 -13.209 -2.866 1.00 14.41 H new ATOM 0 HB THR A 84 -7.851 -10.418 -2.223 1.00 13.43 H new ATOM 0 HG1 THR A 84 -9.883 -11.242 -2.712 1.00 14.42 H new ATOM 0 HG21 THR A 84 -8.365 -10.361 -4.635 1.00 50.21 H new ATOM 0 HG22 THR A 84 -6.626 -10.610 -4.351 1.00 50.21 H new ATOM 0 HG23 THR A 84 -7.656 -11.982 -4.825 1.00 50.21 H new ATOM 1315 N VAL A 85 -4.617 -11.950 -3.132 1.00 3.55 N ATOM 1316 CA VAL A 85 -3.330 -11.288 -3.251 1.00 74.21 C ATOM 1317 C VAL A 85 -3.286 -10.476 -4.548 1.00 43.23 C ATOM 1318 O VAL A 85 -3.582 -10.998 -5.639 1.00 22.22 O ATOM 1319 CB VAL A 85 -2.121 -12.282 -3.156 1.00 52.50 C ATOM 1320 CG1 VAL A 85 -2.202 -13.386 -4.206 1.00 4.34 C ATOM 1321 CG2 VAL A 85 -0.796 -11.534 -3.266 1.00 2.53 C ATOM 0 H VAL A 85 -4.784 -12.675 -3.830 1.00 3.55 H new ATOM 0 HA VAL A 85 -3.226 -10.613 -2.401 1.00 74.21 H new ATOM 0 HB VAL A 85 -2.174 -12.760 -2.178 1.00 52.50 H new ATOM 0 HG11 VAL A 85 -1.344 -14.050 -4.102 1.00 4.34 H new ATOM 0 HG12 VAL A 85 -3.121 -13.955 -4.065 1.00 4.34 H new ATOM 0 HG13 VAL A 85 -2.199 -12.942 -5.202 1.00 4.34 H new ATOM 0 HG21 VAL A 85 0.029 -12.243 -3.198 1.00 2.53 H new ATOM 0 HG22 VAL A 85 -0.750 -11.015 -4.223 1.00 2.53 H new ATOM 0 HG23 VAL A 85 -0.719 -10.809 -2.456 1.00 2.53 H new ATOM 1331 N MET A 86 -2.953 -9.205 -4.433 1.00 14.02 N ATOM 1332 CA MET A 86 -2.941 -8.311 -5.573 1.00 74.45 C ATOM 1333 C MET A 86 -1.735 -7.439 -5.588 1.00 5.31 C ATOM 1334 O MET A 86 -1.151 -7.146 -4.552 1.00 31.21 O ATOM 1335 CB MET A 86 -4.175 -7.443 -5.616 1.00 75.44 C ATOM 1336 CG MET A 86 -5.442 -8.193 -5.885 1.00 63.32 C ATOM 1337 SD MET A 86 -6.865 -7.124 -5.925 1.00 11.00 S ATOM 1338 CE MET A 86 -6.389 -5.994 -7.229 1.00 30.34 C ATOM 0 H MET A 86 -2.685 -8.766 -3.552 1.00 14.02 H new ATOM 0 HA MET A 86 -2.923 -8.952 -6.455 1.00 74.45 H new ATOM 0 HB2 MET A 86 -4.271 -6.919 -4.665 1.00 75.44 H new ATOM 0 HB3 MET A 86 -4.045 -6.683 -6.387 1.00 75.44 H new ATOM 0 HG2 MET A 86 -5.357 -8.716 -6.837 1.00 63.32 H new ATOM 0 HG3 MET A 86 -5.582 -8.952 -5.116 1.00 63.32 H new ATOM 0 HE1 MET A 86 -7.247 -5.799 -7.873 1.00 30.34 H new ATOM 0 HE2 MET A 86 -6.044 -5.058 -6.791 1.00 30.34 H new ATOM 0 HE3 MET A 86 -5.586 -6.436 -7.819 1.00 30.34 H new ATOM 1348 N HIS A 87 -1.360 -7.022 -6.764 1.00 74.04 N ATOM 1349 CA HIS A 87 -0.224 -6.149 -6.918 1.00 51.43 C ATOM 1350 C HIS A 87 -0.688 -4.741 -7.143 1.00 13.45 C ATOM 1351 O HIS A 87 -1.637 -4.510 -7.880 1.00 41.22 O ATOM 1352 CB HIS A 87 0.677 -6.558 -8.066 1.00 11.31 C ATOM 1353 CG HIS A 87 1.401 -7.867 -7.888 1.00 3.11 C ATOM 1354 ND1 HIS A 87 0.956 -9.150 -7.885 1.00 72.44 N flip ATOM 1355 CD2 HIS A 87 2.765 -7.946 -7.705 1.00 74.23 C flip ATOM 1356 CE1 HIS A 87 2.046 -9.951 -7.693 1.00 63.23 C flip ATOM 1357 NE2 HIS A 87 3.120 -9.205 -7.591 1.00 13.25 N flip ATOM 0 H HIS A 87 -1.825 -7.272 -7.636 1.00 74.04 H new ATOM 0 HA HIS A 87 0.355 -6.222 -5.997 1.00 51.43 H new ATOM 0 HB2 HIS A 87 0.076 -6.616 -8.974 1.00 11.31 H new ATOM 0 HB3 HIS A 87 1.416 -5.772 -8.222 1.00 11.31 H new ATOM 0 HD1 HIS A 87 -0.009 -9.457 -8.004 1.00 72.44 H new ATOM 0 HD2 HIS A 87 3.438 -7.102 -7.662 1.00 74.23 H new ATOM 0 HE1 HIS A 87 2.026 -11.029 -7.634 1.00 63.23 H new ATOM 1366 N LEU A 88 -0.053 -3.813 -6.504 1.00 53.30 N ATOM 1367 CA LEU A 88 -0.402 -2.424 -6.644 1.00 52.22 C ATOM 1368 C LEU A 88 0.784 -1.675 -7.158 1.00 45.30 C ATOM 1369 O LEU A 88 1.932 -1.977 -6.777 1.00 31.05 O ATOM 1370 CB LEU A 88 -0.876 -1.811 -5.304 1.00 24.41 C ATOM 1371 CG LEU A 88 -2.196 -2.342 -4.692 1.00 4.53 C ATOM 1372 CD1 LEU A 88 -3.363 -2.143 -5.636 1.00 12.31 C ATOM 1373 CD2 LEU A 88 -2.084 -3.797 -4.265 1.00 63.55 C ATOM 0 H LEU A 88 0.724 -3.990 -5.868 1.00 53.30 H new ATOM 0 HA LEU A 88 -1.231 -2.347 -7.347 1.00 52.22 H new ATOM 0 HB2 LEU A 88 -0.084 -1.958 -4.570 1.00 24.41 H new ATOM 0 HB3 LEU A 88 -0.982 -0.736 -5.447 1.00 24.41 H new ATOM 0 HG LEU A 88 -2.385 -1.754 -3.794 1.00 4.53 H new ATOM 0 HD11 LEU A 88 -4.273 -2.527 -5.175 1.00 12.31 H new ATOM 0 HD12 LEU A 88 -3.483 -1.080 -5.847 1.00 12.31 H new ATOM 0 HD13 LEU A 88 -3.174 -2.679 -6.566 1.00 12.31 H new ATOM 0 HD21 LEU A 88 -3.033 -4.126 -3.842 1.00 63.55 H new ATOM 0 HD22 LEU A 88 -1.840 -4.413 -5.131 1.00 63.55 H new ATOM 0 HD23 LEU A 88 -1.299 -3.897 -3.516 1.00 63.55 H new ATOM 1385 N VAL A 89 0.551 -0.736 -8.024 1.00 3.23 N ATOM 1386 CA VAL A 89 1.622 0.034 -8.565 1.00 64.20 C ATOM 1387 C VAL A 89 1.384 1.504 -8.366 1.00 32.15 C ATOM 1388 O VAL A 89 0.268 2.009 -8.526 1.00 72.34 O ATOM 1389 CB VAL A 89 1.949 -0.273 -10.062 1.00 51.33 C ATOM 1390 CG1 VAL A 89 2.417 -1.701 -10.243 1.00 41.50 C ATOM 1391 CG2 VAL A 89 0.768 0.010 -10.953 1.00 24.53 C ATOM 0 H VAL A 89 -0.375 -0.486 -8.370 1.00 3.23 H new ATOM 0 HA VAL A 89 2.505 -0.271 -8.003 1.00 64.20 H new ATOM 0 HB VAL A 89 2.762 0.391 -10.355 1.00 51.33 H new ATOM 0 HG11 VAL A 89 2.636 -1.881 -11.295 1.00 41.50 H new ATOM 0 HG12 VAL A 89 3.317 -1.867 -9.651 1.00 41.50 H new ATOM 0 HG13 VAL A 89 1.635 -2.385 -9.913 1.00 41.50 H new ATOM 0 HG21 VAL A 89 1.030 -0.214 -11.987 1.00 24.53 H new ATOM 0 HG22 VAL A 89 -0.074 -0.612 -10.649 1.00 24.53 H new ATOM 0 HG23 VAL A 89 0.492 1.061 -10.869 1.00 24.53 H new ATOM 1401 N ALA A 90 2.414 2.153 -7.969 1.00 44.14 N ATOM 1402 CA ALA A 90 2.439 3.556 -7.770 1.00 21.14 C ATOM 1403 C ALA A 90 3.707 4.055 -8.421 1.00 75.23 C ATOM 1404 O ALA A 90 4.715 3.339 -8.438 1.00 21.30 O ATOM 1405 CB ALA A 90 2.359 3.895 -6.297 1.00 13.33 C ATOM 0 H ALA A 90 3.305 1.701 -7.764 1.00 44.14 H new ATOM 0 HA ALA A 90 1.575 4.045 -8.221 1.00 21.14 H new ATOM 0 HB1 ALA A 90 2.380 4.978 -6.171 1.00 13.33 H new ATOM 0 HB2 ALA A 90 1.432 3.499 -5.882 1.00 13.33 H new ATOM 0 HB3 ALA A 90 3.208 3.453 -5.775 1.00 13.33 H new