USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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 14 SER OG : rot -107:sc= 0.603 USER MOD Set 1.2: A 113 ASN : amide:sc= 0.755 K(o=1.4,f=0.42) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 62:sc= 1.31 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.153 USER MOD Single : A 11 SER OG : rot 180:sc= -0.023 USER MOD Single : A 17 THR OG1 : rot 81:sc= 1.28 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.317 X(o=-0.32,f=-0.65) USER MOD Single : A 30 THR OG1 : rot 78:sc= 0.531 USER MOD Single : A 32 TYR OH : rot 166:sc= -1.51! USER MOD Single : A 36 GLN : amide:sc= -1.42! C(o=-1.4!,f=-6.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0159 USER MOD Single : A 48 ASN : amide:sc= 0.34 K(o=0.34,f=-5.5!) USER MOD Single : A 53 SER OG : rot -2:sc= 0.228 USER MOD Single : A 54 SER OG : rot -86:sc= 0.181 USER MOD Single : A 56 THR OG1 : rot 20:sc= 0.044 USER MOD Single : A 60 ASN : amide:sc= 0.182 X(o=0.18,f=0) USER MOD Single : A 62 SER OG : rot 27:sc= 0.502 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 160:sc= -0.102 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 94:sc= 1.31 USER MOD Single : A 72 SER OG : rot -78:sc= 1.3 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 55:sc= 0.456 USER MOD Single : A 90 THR OG1 : rot -18:sc= 0.259 USER MOD Single : A 94 GLN : amide:sc= 0.00332 K(o=0.0033,f=-3.6!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc=-0.00382 K(o=-0.0038,f=-0.77) USER MOD Single : A 111 SER OG : rot 180:sc= -0.134 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.107 5.248 16.394 1.00 0.00 N ATOM 2 CA ALA A 1 -16.628 4.135 15.571 1.00 0.00 C ATOM 3 C ALA A 1 -15.491 3.215 15.158 1.00 0.00 C ATOM 4 O ALA A 1 -14.442 3.672 14.699 1.00 0.00 O ATOM 5 CB ALA A 1 -17.358 4.668 14.342 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.892 5.871 16.671 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.651 4.865 17.247 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.412 5.791 15.843 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.341 3.566 16.168 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.733 3.833 13.751 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.193 5.293 14.658 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -16.670 5.260 13.738 1.00 0.00 H new ATOM 11 N ALA A 2 -15.699 1.917 15.316 1.00 0.00 N ATOM 12 CA ALA A 2 -14.686 0.936 14.966 1.00 0.00 C ATOM 13 C ALA A 2 -14.881 0.452 13.536 1.00 0.00 C ATOM 14 O ALA A 2 -15.954 -0.040 13.186 1.00 0.00 O ATOM 15 CB ALA A 2 -14.730 -0.234 15.933 1.00 0.00 C ATOM 0 H ALA A 2 -16.562 1.519 15.685 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.707 1.410 15.037 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.966 -0.961 15.659 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.544 0.124 16.946 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.712 -0.705 15.889 1.00 0.00 H new ATOM 21 N PRO A 3 -13.853 0.603 12.687 1.00 0.00 N ATOM 22 CA PRO A 3 -13.909 0.178 11.289 1.00 0.00 C ATOM 23 C PRO A 3 -13.657 -1.323 11.127 1.00 0.00 C ATOM 24 O PRO A 3 -13.599 -2.065 12.111 1.00 0.00 O ATOM 25 CB PRO A 3 -12.785 0.989 10.645 1.00 0.00 C ATOM 26 CG PRO A 3 -11.777 1.151 11.730 1.00 0.00 C ATOM 27 CD PRO A 3 -12.549 1.207 13.025 1.00 0.00 C ATOM 0 HA PRO A 3 -14.889 0.344 10.841 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.363 0.470 9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.145 1.954 10.289 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.073 0.319 11.733 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.194 2.061 11.586 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.044 0.652 13.815 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.663 2.232 13.378 1.00 0.00 H new ATOM 35 N THR A 4 -13.522 -1.767 9.883 1.00 0.00 N ATOM 36 CA THR A 4 -13.277 -3.169 9.592 1.00 0.00 C ATOM 37 C THR A 4 -12.246 -3.304 8.472 1.00 0.00 C ATOM 38 O THR A 4 -12.585 -3.285 7.287 1.00 0.00 O ATOM 39 CB THR A 4 -14.580 -3.890 9.189 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.705 -3.242 9.804 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.546 -5.347 9.608 1.00 0.00 C ATOM 0 H THR A 4 -13.579 -1.170 9.058 1.00 0.00 H new ATOM 0 HA THR A 4 -12.891 -3.636 10.498 1.00 0.00 H new ATOM 0 HB THR A 4 -14.674 -3.842 8.104 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.530 -3.702 9.544 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.476 -5.832 9.312 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.706 -5.845 9.123 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.431 -5.412 10.690 1.00 0.00 H new ATOM 49 N ALA A 5 -10.985 -3.420 8.854 1.00 0.00 N ATOM 50 CA ALA A 5 -9.901 -3.543 7.889 1.00 0.00 C ATOM 51 C ALA A 5 -9.629 -5.002 7.542 1.00 0.00 C ATOM 52 O ALA A 5 -8.748 -5.636 8.119 1.00 0.00 O ATOM 53 CB ALA A 5 -8.639 -2.880 8.421 1.00 0.00 C ATOM 0 H ALA A 5 -10.684 -3.432 9.829 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.208 -3.034 6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.838 -2.981 7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.833 -1.823 8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.341 -3.361 9.353 1.00 0.00 H new ATOM 59 N THR A 6 -10.393 -5.529 6.599 1.00 0.00 N ATOM 60 CA THR A 6 -10.238 -6.909 6.168 1.00 0.00 C ATOM 61 C THR A 6 -9.159 -7.030 5.096 1.00 0.00 C ATOM 62 O THR A 6 -9.444 -7.022 3.898 1.00 0.00 O ATOM 63 CB THR A 6 -11.567 -7.465 5.631 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.453 -6.380 5.319 1.00 0.00 O ATOM 65 CG2 THR A 6 -12.217 -8.392 6.648 1.00 0.00 C ATOM 0 H THR A 6 -11.131 -5.018 6.115 1.00 0.00 H new ATOM 0 HA THR A 6 -9.935 -7.493 7.037 1.00 0.00 H new ATOM 0 HB THR A 6 -11.364 -8.039 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 6 -12.057 -5.826 4.614 1.00 0.00 H new ATOM 0 HG21 THR A 6 -13.156 -8.773 6.245 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.548 -9.226 6.860 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.413 -7.842 7.568 1.00 0.00 H new ATOM 73 N VAL A 7 -7.916 -7.125 5.533 1.00 0.00 N ATOM 74 CA VAL A 7 -6.793 -7.241 4.615 1.00 0.00 C ATOM 75 C VAL A 7 -6.296 -8.680 4.536 1.00 0.00 C ATOM 76 O VAL A 7 -6.334 -9.416 5.521 1.00 0.00 O ATOM 77 CB VAL A 7 -5.625 -6.319 5.023 1.00 0.00 C ATOM 78 CG1 VAL A 7 -5.907 -4.890 4.596 1.00 0.00 C ATOM 79 CG2 VAL A 7 -5.372 -6.389 6.522 1.00 0.00 C ATOM 0 H VAL A 7 -7.657 -7.124 6.519 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.155 -6.931 3.635 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.725 -6.664 4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.074 -4.251 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.029 -4.851 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.820 -4.540 5.077 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.544 -5.730 6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.268 -6.075 7.057 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.123 -7.413 6.801 1.00 0.00 H new ATOM 89 N THR A 8 -5.845 -9.081 3.356 1.00 0.00 N ATOM 90 CA THR A 8 -5.333 -10.425 3.148 1.00 0.00 C ATOM 91 C THR A 8 -3.877 -10.373 2.686 1.00 0.00 C ATOM 92 O THR A 8 -3.600 -10.152 1.507 1.00 0.00 O ATOM 93 CB THR A 8 -6.176 -11.174 2.101 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.573 -10.995 2.384 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.836 -12.659 2.092 1.00 0.00 C ATOM 0 H THR A 8 -5.824 -8.490 2.525 1.00 0.00 H new ATOM 0 HA THR A 8 -5.392 -10.959 4.097 1.00 0.00 H new ATOM 0 HB THR A 8 -5.949 -10.764 1.117 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.106 -11.472 1.714 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.445 -13.167 1.344 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.781 -12.789 1.851 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.039 -13.085 3.075 1.00 0.00 H new ATOM 103 N PRO A 9 -2.927 -10.548 3.616 1.00 0.00 N ATOM 104 CA PRO A 9 -1.501 -10.512 3.297 1.00 0.00 C ATOM 105 C PRO A 9 -1.043 -11.763 2.546 1.00 0.00 C ATOM 106 O PRO A 9 -1.769 -12.757 2.477 1.00 0.00 O ATOM 107 CB PRO A 9 -0.832 -10.430 4.670 1.00 0.00 C ATOM 108 CG PRO A 9 -1.799 -11.066 5.608 1.00 0.00 C ATOM 109 CD PRO A 9 -3.171 -10.800 5.050 1.00 0.00 C ATOM 0 HA PRO A 9 -1.249 -9.681 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.125 -10.953 4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.632 -9.396 4.950 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.614 -12.137 5.689 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.700 -10.649 6.610 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.835 -11.651 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.639 -9.942 5.533 1.00 0.00 H new ATOM 117 N SER A 10 0.158 -11.710 1.988 1.00 0.00 N ATOM 118 CA SER A 10 0.705 -12.834 1.244 1.00 0.00 C ATOM 119 C SER A 10 2.009 -13.325 1.871 1.00 0.00 C ATOM 120 O SER A 10 2.992 -13.576 1.174 1.00 0.00 O ATOM 121 CB SER A 10 0.933 -12.415 -0.209 1.00 0.00 C ATOM 122 OG SER A 10 -0.230 -11.802 -0.746 1.00 0.00 O ATOM 0 H SER A 10 0.773 -10.898 2.037 1.00 0.00 H new ATOM 0 HA SER A 10 -0.007 -13.659 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.773 -11.723 -0.265 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.198 -13.287 -0.806 1.00 0.00 H new ATOM 0 HG SER A 10 -0.062 -11.540 -1.675 1.00 0.00 H new ATOM 128 N SER A 11 2.010 -13.463 3.188 1.00 0.00 N ATOM 129 CA SER A 11 3.186 -13.925 3.903 1.00 0.00 C ATOM 130 C SER A 11 3.434 -15.404 3.623 1.00 0.00 C ATOM 131 O SER A 11 2.602 -16.254 3.938 1.00 0.00 O ATOM 132 CB SER A 11 3.003 -13.688 5.402 1.00 0.00 C ATOM 133 OG SER A 11 2.472 -12.395 5.643 1.00 0.00 O ATOM 0 H SER A 11 1.207 -13.261 3.783 1.00 0.00 H new ATOM 0 HA SER A 11 4.054 -13.363 3.558 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.336 -14.444 5.816 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.961 -13.794 5.912 1.00 0.00 H new ATOM 0 HG SER A 11 2.360 -12.262 6.607 1.00 0.00 H new ATOM 139 N GLY A 12 4.562 -15.700 2.993 1.00 0.00 N ATOM 140 CA GLY A 12 4.906 -17.072 2.680 1.00 0.00 C ATOM 141 C GLY A 12 4.881 -17.343 1.190 1.00 0.00 C ATOM 142 O GLY A 12 5.307 -18.407 0.735 1.00 0.00 O ATOM 0 H GLY A 12 5.249 -15.009 2.691 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.899 -17.294 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.208 -17.743 3.181 1.00 0.00 H new ATOM 146 N LEU A 13 4.390 -16.379 0.424 1.00 0.00 N ATOM 147 CA LEU A 13 4.311 -16.527 -1.021 1.00 0.00 C ATOM 148 C LEU A 13 5.403 -15.716 -1.704 1.00 0.00 C ATOM 149 O LEU A 13 6.003 -14.831 -1.095 1.00 0.00 O ATOM 150 CB LEU A 13 2.930 -16.104 -1.533 1.00 0.00 C ATOM 151 CG LEU A 13 1.771 -16.984 -1.063 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.447 -16.440 -1.572 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.962 -18.422 -1.519 1.00 0.00 C ATOM 0 H LEU A 13 4.041 -15.488 0.779 1.00 0.00 H new ATOM 0 HA LEU A 13 4.461 -17.579 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.740 -15.078 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.947 -16.103 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 13 1.757 -16.970 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.366 -17.079 -1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.299 -15.429 -1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.456 -16.421 -2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.125 -19.028 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.008 -18.455 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.890 -18.815 -1.104 1.00 0.00 H new ATOM 165 N SER A 14 5.672 -16.038 -2.958 1.00 0.00 N ATOM 166 CA SER A 14 6.693 -15.347 -3.723 1.00 0.00 C ATOM 167 C SER A 14 6.149 -14.038 -4.293 1.00 0.00 C ATOM 168 O SER A 14 4.970 -13.714 -4.121 1.00 0.00 O ATOM 169 CB SER A 14 7.175 -16.254 -4.854 1.00 0.00 C ATOM 170 OG SER A 14 7.089 -17.619 -4.477 1.00 0.00 O ATOM 0 H SER A 14 5.193 -16.779 -3.470 1.00 0.00 H new ATOM 0 HA SER A 14 7.528 -15.108 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.574 -16.080 -5.747 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.205 -16.007 -5.110 1.00 0.00 H new ATOM 0 HG SER A 14 7.989 -17.970 -4.312 1.00 0.00 H new ATOM 176 N ASP A 15 7.013 -13.285 -4.962 1.00 0.00 N ATOM 177 CA ASP A 15 6.615 -12.024 -5.569 1.00 0.00 C ATOM 178 C ASP A 15 5.704 -12.295 -6.756 1.00 0.00 C ATOM 179 O ASP A 15 5.733 -13.383 -7.334 1.00 0.00 O ATOM 180 CB ASP A 15 7.838 -11.209 -6.002 1.00 0.00 C ATOM 181 CG ASP A 15 8.676 -11.909 -7.051 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.377 -12.884 -6.703 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.648 -11.480 -8.222 1.00 0.00 O ATOM 0 H ASP A 15 7.995 -13.527 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 15 6.073 -11.436 -4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.506 -10.247 -6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.457 -11.002 -5.129 1.00 0.00 H new ATOM 188 N GLY A 16 4.895 -11.312 -7.112 1.00 0.00 N ATOM 189 CA GLY A 16 3.966 -11.483 -8.207 1.00 0.00 C ATOM 190 C GLY A 16 2.572 -11.746 -7.687 1.00 0.00 C ATOM 191 O GLY A 16 1.594 -11.659 -8.425 1.00 0.00 O ATOM 0 H GLY A 16 4.865 -10.397 -6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.964 -10.590 -8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.287 -12.312 -8.837 1.00 0.00 H new ATOM 195 N THR A 17 2.490 -12.069 -6.404 1.00 0.00 N ATOM 196 CA THR A 17 1.219 -12.334 -5.753 1.00 0.00 C ATOM 197 C THR A 17 0.404 -11.050 -5.618 1.00 0.00 C ATOM 198 O THR A 17 0.946 -9.984 -5.316 1.00 0.00 O ATOM 199 CB THR A 17 1.459 -12.969 -4.372 1.00 0.00 C ATOM 200 OG1 THR A 17 2.354 -14.083 -4.522 1.00 0.00 O ATOM 201 CG2 THR A 17 0.157 -13.445 -3.746 1.00 0.00 C ATOM 0 H THR A 17 3.300 -12.154 -5.789 1.00 0.00 H new ATOM 0 HA THR A 17 0.651 -13.032 -6.368 1.00 0.00 H new ATOM 0 HB THR A 17 1.893 -12.216 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.277 -13.757 -4.568 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.362 -13.888 -2.772 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.519 -12.599 -3.624 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.307 -14.190 -4.393 1.00 0.00 H new ATOM 209 N VAL A 18 -0.893 -11.149 -5.864 1.00 0.00 N ATOM 210 CA VAL A 18 -1.769 -9.993 -5.783 1.00 0.00 C ATOM 211 C VAL A 18 -2.404 -9.887 -4.398 1.00 0.00 C ATOM 212 O VAL A 18 -3.363 -10.595 -4.087 1.00 0.00 O ATOM 213 CB VAL A 18 -2.886 -10.042 -6.851 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.225 -8.640 -7.327 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.486 -10.921 -8.031 1.00 0.00 C ATOM 0 H VAL A 18 -1.361 -12.018 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.150 -9.116 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.771 -10.481 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.013 -8.691 -8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.568 -8.042 -6.483 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.338 -8.179 -7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.292 -10.935 -8.764 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.583 -10.522 -8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.297 -11.936 -7.681 1.00 0.00 H new ATOM 225 N VAL A 19 -1.863 -9.002 -3.572 1.00 0.00 N ATOM 226 CA VAL A 19 -2.367 -8.794 -2.221 1.00 0.00 C ATOM 227 C VAL A 19 -3.750 -8.155 -2.274 1.00 0.00 C ATOM 228 O VAL A 19 -3.966 -7.192 -3.012 1.00 0.00 O ATOM 229 CB VAL A 19 -1.425 -7.890 -1.397 1.00 0.00 C ATOM 230 CG1 VAL A 19 -1.893 -7.801 0.051 1.00 0.00 C ATOM 231 CG2 VAL A 19 0.011 -8.391 -1.480 1.00 0.00 C ATOM 0 H VAL A 19 -1.068 -8.412 -3.817 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.422 -9.769 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.455 -6.886 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.215 -7.159 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.899 -7.383 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.900 -8.797 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.658 -7.740 -0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.065 -9.406 -1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.339 -8.386 -2.520 1.00 0.00 H new ATOM 241 N LYS A 20 -4.684 -8.695 -1.501 1.00 0.00 N ATOM 242 CA LYS A 20 -6.043 -8.178 -1.480 1.00 0.00 C ATOM 243 C LYS A 20 -6.276 -7.298 -0.259 1.00 0.00 C ATOM 244 O LYS A 20 -5.991 -7.693 0.874 1.00 0.00 O ATOM 245 CB LYS A 20 -7.054 -9.325 -1.483 1.00 0.00 C ATOM 246 CG LYS A 20 -8.487 -8.861 -1.689 1.00 0.00 C ATOM 247 CD LYS A 20 -9.484 -9.930 -1.277 1.00 0.00 C ATOM 248 CE LYS A 20 -9.420 -11.144 -2.188 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.255 -12.261 -1.672 1.00 0.00 N ATOM 0 H LYS A 20 -4.524 -9.490 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.181 -7.575 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.791 -10.030 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.986 -9.863 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.664 -7.955 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.640 -8.604 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.285 -10.236 -0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.491 -9.514 -1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.758 -10.868 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.386 -11.475 -2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.187 -13.073 -2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.917 -12.541 -0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.246 -11.952 -1.607 1.00 0.00 H new ATOM 263 N VAL A 21 -6.795 -6.106 -0.501 1.00 0.00 N ATOM 264 CA VAL A 21 -7.085 -5.159 0.561 1.00 0.00 C ATOM 265 C VAL A 21 -8.548 -4.736 0.501 1.00 0.00 C ATOM 266 O VAL A 21 -8.977 -4.114 -0.470 1.00 0.00 O ATOM 267 CB VAL A 21 -6.184 -3.908 0.458 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.630 -2.831 1.436 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.727 -4.275 0.696 1.00 0.00 C ATOM 0 H VAL A 21 -7.026 -5.769 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.884 -5.653 1.512 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.279 -3.508 -0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.979 -1.962 1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.657 -2.540 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.574 -3.218 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.109 -3.380 0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.618 -4.707 1.691 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.408 -5.001 -0.051 1.00 0.00 H new ATOM 279 N ALA A 22 -9.315 -5.096 1.521 1.00 0.00 N ATOM 280 CA ALA A 22 -10.726 -4.739 1.582 1.00 0.00 C ATOM 281 C ALA A 22 -11.007 -3.913 2.827 1.00 0.00 C ATOM 282 O ALA A 22 -11.143 -4.450 3.927 1.00 0.00 O ATOM 283 CB ALA A 22 -11.594 -5.987 1.560 1.00 0.00 C ATOM 0 H ALA A 22 -8.983 -5.637 2.320 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.971 -4.139 0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.645 -5.700 1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.410 -6.542 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.351 -6.614 2.418 1.00 0.00 H new ATOM 289 N GLY A 23 -11.086 -2.605 2.656 1.00 0.00 N ATOM 290 CA GLY A 23 -11.338 -1.730 3.779 1.00 0.00 C ATOM 291 C GLY A 23 -12.797 -1.346 3.905 1.00 0.00 C ATOM 292 O GLY A 23 -13.371 -0.757 2.990 1.00 0.00 O ATOM 0 H GLY A 23 -10.980 -2.132 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.015 -2.222 4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.737 -0.827 3.673 1.00 0.00 H new ATOM 296 N ALA A 24 -13.394 -1.696 5.034 1.00 0.00 N ATOM 297 CA ALA A 24 -14.787 -1.377 5.302 1.00 0.00 C ATOM 298 C ALA A 24 -14.879 -0.487 6.535 1.00 0.00 C ATOM 299 O ALA A 24 -13.989 -0.509 7.391 1.00 0.00 O ATOM 300 CB ALA A 24 -15.598 -2.653 5.489 1.00 0.00 C ATOM 0 H ALA A 24 -12.930 -2.206 5.786 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.203 -0.839 4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.638 -2.397 5.689 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.540 -3.257 4.583 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.196 -3.220 6.329 1.00 0.00 H new ATOM 306 N GLY A 25 -15.944 0.294 6.629 1.00 0.00 N ATOM 307 CA GLY A 25 -16.100 1.187 7.761 1.00 0.00 C ATOM 308 C GLY A 25 -15.258 2.433 7.593 1.00 0.00 C ATOM 309 O GLY A 25 -14.868 3.075 8.573 1.00 0.00 O ATOM 0 H GLY A 25 -16.701 0.327 5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.149 1.465 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -15.813 0.671 8.677 1.00 0.00 H new ATOM 313 N LEU A 26 -14.982 2.767 6.341 1.00 0.00 N ATOM 314 CA LEU A 26 -14.171 3.927 6.009 1.00 0.00 C ATOM 315 C LEU A 26 -15.051 5.148 5.765 1.00 0.00 C ATOM 316 O LEU A 26 -16.174 5.230 6.271 1.00 0.00 O ATOM 317 CB LEU A 26 -13.323 3.632 4.766 1.00 0.00 C ATOM 318 CG LEU A 26 -12.421 2.399 4.858 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.676 2.191 3.549 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.439 2.539 6.008 1.00 0.00 C ATOM 0 H LEU A 26 -15.313 2.244 5.530 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.512 4.142 6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.991 3.509 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.699 4.502 4.559 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.048 1.527 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.038 1.311 3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.393 2.047 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.061 3.066 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.807 1.652 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.817 3.420 5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.987 2.645 6.944 1.00 0.00 H new ATOM 332 N GLN A 27 -14.544 6.101 4.996 1.00 0.00 N ATOM 333 CA GLN A 27 -15.293 7.308 4.696 1.00 0.00 C ATOM 334 C GLN A 27 -15.774 7.292 3.250 1.00 0.00 C ATOM 335 O GLN A 27 -14.972 7.254 2.318 1.00 0.00 O ATOM 336 CB GLN A 27 -14.433 8.544 4.953 1.00 0.00 C ATOM 337 CG GLN A 27 -15.234 9.731 5.461 1.00 0.00 C ATOM 338 CD GLN A 27 -15.927 9.440 6.777 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.402 8.716 7.627 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.120 9.984 6.944 1.00 0.00 N ATOM 0 H GLN A 27 -13.618 6.060 4.570 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.164 7.345 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.660 8.297 5.680 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.925 8.824 4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.571 10.587 5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.979 10.009 4.715 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.517 10.577 6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.644 9.811 7.802 1.00 0.00 H new ATOM 349 N ALA A 28 -17.087 7.321 3.073 1.00 0.00 N ATOM 350 CA ALA A 28 -17.685 7.304 1.745 1.00 0.00 C ATOM 351 C ALA A 28 -17.293 8.543 0.944 1.00 0.00 C ATOM 352 O ALA A 28 -17.387 9.668 1.441 1.00 0.00 O ATOM 353 CB ALA A 28 -19.197 7.203 1.858 1.00 0.00 C ATOM 0 H ALA A 28 -17.762 7.357 3.837 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.307 6.431 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.636 7.191 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.462 6.285 2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.579 8.061 2.412 1.00 0.00 H new ATOM 359 N GLY A 29 -16.852 8.331 -0.291 1.00 0.00 N ATOM 360 CA GLY A 29 -16.456 9.441 -1.137 1.00 0.00 C ATOM 361 C GLY A 29 -15.056 9.936 -0.829 1.00 0.00 C ATOM 362 O GLY A 29 -14.824 11.140 -0.734 1.00 0.00 O ATOM 0 H GLY A 29 -16.762 7.411 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.508 9.134 -2.182 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.164 10.260 -1.010 1.00 0.00 H new ATOM 366 N THR A 30 -14.127 9.007 -0.669 1.00 0.00 N ATOM 367 CA THR A 30 -12.743 9.345 -0.372 1.00 0.00 C ATOM 368 C THR A 30 -11.801 8.403 -1.114 1.00 0.00 C ATOM 369 O THR A 30 -12.053 7.200 -1.182 1.00 0.00 O ATOM 370 CB THR A 30 -12.462 9.255 1.141 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.655 9.553 1.878 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.356 10.214 1.555 1.00 0.00 C ATOM 0 H THR A 30 -14.308 8.006 -0.740 1.00 0.00 H new ATOM 0 HA THR A 30 -12.573 10.370 -0.700 1.00 0.00 H new ATOM 0 HB THR A 30 -12.136 8.239 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.249 8.773 1.869 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.181 10.127 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.441 9.968 1.017 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.653 11.236 1.318 1.00 0.00 H new ATOM 380 N ALA A 31 -10.729 8.948 -1.674 1.00 0.00 N ATOM 381 CA ALA A 31 -9.762 8.147 -2.409 1.00 0.00 C ATOM 382 C ALA A 31 -8.669 7.622 -1.484 1.00 0.00 C ATOM 383 O ALA A 31 -8.122 8.363 -0.669 1.00 0.00 O ATOM 384 CB ALA A 31 -9.151 8.956 -3.544 1.00 0.00 C ATOM 0 H ALA A 31 -10.508 9.943 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.288 7.292 -2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.430 8.341 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.938 9.276 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.647 9.832 -3.136 1.00 0.00 H new ATOM 390 N TYR A 32 -8.360 6.340 -1.613 1.00 0.00 N ATOM 391 CA TYR A 32 -7.335 5.715 -0.794 1.00 0.00 C ATOM 392 C TYR A 32 -6.189 5.216 -1.665 1.00 0.00 C ATOM 393 O TYR A 32 -6.401 4.485 -2.635 1.00 0.00 O ATOM 394 CB TYR A 32 -7.929 4.559 0.023 1.00 0.00 C ATOM 395 CG TYR A 32 -8.925 5.004 1.076 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.232 5.333 0.731 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.560 5.095 2.413 1.00 0.00 C ATOM 398 CE1 TYR A 32 -11.143 5.737 1.685 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.470 5.500 3.376 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.759 5.819 3.004 1.00 0.00 C ATOM 401 OH TYR A 32 -11.668 6.223 3.956 1.00 0.00 O ATOM 0 H TYR A 32 -8.807 5.711 -2.280 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.945 6.461 -0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.419 3.861 -0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.119 4.016 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.539 5.271 -0.303 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.551 4.846 2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.153 5.988 1.398 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.172 5.565 4.412 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.320 6.018 4.849 1.00 0.00 H new ATOM 411 N ASP A 33 -4.979 5.637 -1.326 1.00 0.00 N ATOM 412 CA ASP A 33 -3.789 5.234 -2.060 1.00 0.00 C ATOM 413 C ASP A 33 -3.298 3.909 -1.514 1.00 0.00 C ATOM 414 O ASP A 33 -2.863 3.830 -0.363 1.00 0.00 O ATOM 415 CB ASP A 33 -2.683 6.285 -1.929 1.00 0.00 C ATOM 416 CG ASP A 33 -2.103 6.693 -3.269 1.00 0.00 C ATOM 417 OD1 ASP A 33 -2.703 7.571 -3.928 1.00 0.00 O ATOM 418 OD2 ASP A 33 -1.046 6.156 -3.661 1.00 0.00 O ATOM 0 H ASP A 33 -4.795 6.262 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.043 5.136 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.082 7.166 -1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.886 5.892 -1.297 1.00 0.00 H new ATOM 423 N VAL A 34 -3.400 2.866 -2.319 1.00 0.00 N ATOM 424 CA VAL A 34 -2.975 1.544 -1.897 1.00 0.00 C ATOM 425 C VAL A 34 -1.854 1.025 -2.788 1.00 0.00 C ATOM 426 O VAL A 34 -2.004 0.930 -4.009 1.00 0.00 O ATOM 427 CB VAL A 34 -4.148 0.537 -1.912 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.796 -0.702 -1.105 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.422 1.176 -1.377 1.00 0.00 C ATOM 0 H VAL A 34 -3.773 2.909 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.610 1.638 -0.874 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.326 0.240 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.633 -1.400 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.915 -1.178 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.587 -0.417 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.232 0.447 -1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.260 1.508 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.688 2.032 -1.998 1.00 0.00 H new ATOM 439 N GLY A 35 -0.726 0.708 -2.167 1.00 0.00 N ATOM 440 CA GLY A 35 0.414 0.192 -2.891 1.00 0.00 C ATOM 441 C GLY A 35 1.343 -0.562 -1.965 1.00 0.00 C ATOM 442 O GLY A 35 1.137 -0.566 -0.751 1.00 0.00 O ATOM 0 H GLY A 35 -0.582 0.801 -1.162 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.075 -0.468 -3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.952 1.014 -3.364 1.00 0.00 H new ATOM 446 N GLN A 36 2.362 -1.203 -2.517 1.00 0.00 N ATOM 447 CA GLN A 36 3.311 -1.945 -1.699 1.00 0.00 C ATOM 448 C GLN A 36 4.342 -0.998 -1.089 1.00 0.00 C ATOM 449 O GLN A 36 5.498 -0.962 -1.500 1.00 0.00 O ATOM 450 CB GLN A 36 3.999 -3.038 -2.519 1.00 0.00 C ATOM 451 CG GLN A 36 4.477 -2.577 -3.888 1.00 0.00 C ATOM 452 CD GLN A 36 5.450 -3.547 -4.524 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.481 -3.695 -5.740 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.255 -4.215 -3.710 1.00 0.00 N ATOM 0 H GLN A 36 2.553 -1.225 -3.519 1.00 0.00 H new ATOM 0 HA GLN A 36 2.762 -2.426 -0.889 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.852 -3.417 -1.956 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.307 -3.870 -2.648 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.616 -2.449 -4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.953 -1.601 -3.792 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.200 -4.065 -2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.929 -4.879 -4.091 1.00 0.00 H new ATOM 463 N CYS A 37 3.899 -0.207 -0.127 1.00 0.00 N ATOM 464 CA CYS A 37 4.770 0.743 0.541 1.00 0.00 C ATOM 465 C CYS A 37 5.633 0.031 1.572 1.00 0.00 C ATOM 466 O CYS A 37 5.197 -0.216 2.695 1.00 0.00 O ATOM 467 CB CYS A 37 3.935 1.839 1.202 1.00 0.00 C ATOM 468 SG CYS A 37 2.455 2.324 0.249 1.00 0.00 S ATOM 0 H CYS A 37 2.936 -0.205 0.210 1.00 0.00 H new ATOM 0 HA CYS A 37 5.427 1.203 -0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.623 1.498 2.189 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.562 2.718 1.352 1.00 0.00 H new ATOM 473 N ALA A 38 6.851 -0.308 1.179 1.00 0.00 N ATOM 474 CA ALA A 38 7.764 -1.011 2.062 1.00 0.00 C ATOM 475 C ALA A 38 8.732 -0.061 2.749 1.00 0.00 C ATOM 476 O ALA A 38 8.847 1.113 2.382 1.00 0.00 O ATOM 477 CB ALA A 38 8.531 -2.072 1.288 1.00 0.00 C ATOM 0 H ALA A 38 7.229 -0.107 0.253 1.00 0.00 H new ATOM 0 HA ALA A 38 7.167 -1.491 2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.212 -2.592 1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.830 -2.787 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.102 -1.598 0.489 1.00 0.00 H new ATOM 483 N TRP A 39 9.409 -0.588 3.756 1.00 0.00 N ATOM 484 CA TRP A 39 10.392 0.159 4.526 1.00 0.00 C ATOM 485 C TRP A 39 11.570 0.560 3.640 1.00 0.00 C ATOM 486 O TRP A 39 12.411 -0.272 3.291 1.00 0.00 O ATOM 487 CB TRP A 39 10.877 -0.710 5.687 1.00 0.00 C ATOM 488 CG TRP A 39 11.253 0.054 6.915 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.404 0.617 7.823 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.579 0.322 7.384 1.00 0.00 C ATOM 491 NE1 TRP A 39 11.120 1.221 8.825 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.458 1.051 8.582 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.857 0.012 6.908 1.00 0.00 C ATOM 494 CZ2 TRP A 39 13.565 1.479 9.307 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.956 0.438 7.627 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.805 1.161 8.818 1.00 0.00 C ATOM 0 H TRP A 39 9.292 -1.553 4.065 1.00 0.00 H new ATOM 0 HA TRP A 39 9.934 1.068 4.915 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.093 -1.423 5.943 1.00 0.00 H new ATOM 0 HB3 TRP A 39 11.739 -1.289 5.356 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.326 0.591 7.762 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.721 1.717 9.622 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.982 -0.550 5.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 13.452 2.041 10.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.948 0.210 7.266 1.00 0.00 H new ATOM 0 HH2 TRP A 39 15.684 1.474 9.362 1.00 0.00 H new ATOM 507 N VAL A 40 11.616 1.829 3.266 1.00 0.00 N ATOM 508 CA VAL A 40 12.684 2.332 2.414 1.00 0.00 C ATOM 509 C VAL A 40 13.729 3.078 3.240 1.00 0.00 C ATOM 510 O VAL A 40 14.906 3.143 2.869 1.00 0.00 O ATOM 511 CB VAL A 40 12.131 3.245 1.294 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.455 4.477 1.874 1.00 0.00 C ATOM 513 CG2 VAL A 40 13.236 3.637 0.323 1.00 0.00 C ATOM 0 H VAL A 40 10.927 2.530 3.538 1.00 0.00 H new ATOM 0 HA VAL A 40 13.160 1.473 1.942 1.00 0.00 H new ATOM 0 HB VAL A 40 11.378 2.682 0.743 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.076 5.100 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.627 4.171 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.176 5.045 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.825 4.279 -0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.019 4.173 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.657 2.740 -0.131 1.00 0.00 H new ATOM 523 N ASP A 41 13.303 3.624 4.372 1.00 0.00 N ATOM 524 CA ASP A 41 14.202 4.353 5.255 1.00 0.00 C ATOM 525 C ASP A 41 13.707 4.260 6.686 1.00 0.00 C ATOM 526 O ASP A 41 12.636 3.706 6.939 1.00 0.00 O ATOM 527 CB ASP A 41 14.310 5.824 4.838 1.00 0.00 C ATOM 528 CG ASP A 41 15.693 6.396 5.076 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.029 6.705 6.237 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.449 6.550 4.092 1.00 0.00 O ATOM 0 H ASP A 41 12.338 3.575 4.700 1.00 0.00 H new ATOM 0 HA ASP A 41 15.192 3.902 5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.059 5.918 3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.578 6.410 5.393 1.00 0.00 H new ATOM 535 N THR A 42 14.472 4.824 7.607 1.00 0.00 N ATOM 536 CA THR A 42 14.127 4.802 9.018 1.00 0.00 C ATOM 537 C THR A 42 12.816 5.537 9.277 1.00 0.00 C ATOM 538 O THR A 42 12.773 6.766 9.277 1.00 0.00 O ATOM 539 CB THR A 42 15.246 5.433 9.864 1.00 0.00 C ATOM 540 OG1 THR A 42 16.524 5.024 9.354 1.00 0.00 O ATOM 541 CG2 THR A 42 15.119 5.026 11.324 1.00 0.00 C ATOM 0 H THR A 42 15.345 5.308 7.398 1.00 0.00 H new ATOM 0 HA THR A 42 14.006 3.758 9.307 1.00 0.00 H new ATOM 0 HB THR A 42 15.157 6.518 9.802 1.00 0.00 H new ATOM 0 HG1 THR A 42 17.236 5.428 9.893 1.00 0.00 H new ATOM 0 HG21 THR A 42 15.922 5.485 11.901 1.00 0.00 H new ATOM 0 HG22 THR A 42 14.157 5.359 11.712 1.00 0.00 H new ATOM 0 HG23 THR A 42 15.187 3.941 11.407 1.00 0.00 H new ATOM 549 N GLY A 43 11.749 4.776 9.478 1.00 0.00 N ATOM 550 CA GLY A 43 10.449 5.368 9.730 1.00 0.00 C ATOM 551 C GLY A 43 9.816 5.922 8.471 1.00 0.00 C ATOM 552 O GLY A 43 8.866 6.706 8.534 1.00 0.00 O ATOM 0 H GLY A 43 11.760 3.756 9.471 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.789 4.618 10.166 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.552 6.167 10.464 1.00 0.00 H new ATOM 556 N VAL A 44 10.348 5.524 7.324 1.00 0.00 N ATOM 557 CA VAL A 44 9.833 5.985 6.044 1.00 0.00 C ATOM 558 C VAL A 44 9.485 4.804 5.148 1.00 0.00 C ATOM 559 O VAL A 44 10.332 3.950 4.862 1.00 0.00 O ATOM 560 CB VAL A 44 10.841 6.892 5.302 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.202 7.495 4.057 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.381 7.986 6.221 1.00 0.00 C ATOM 0 H VAL A 44 11.137 4.882 7.254 1.00 0.00 H new ATOM 0 HA VAL A 44 8.938 6.567 6.261 1.00 0.00 H new ATOM 0 HB VAL A 44 11.684 6.275 4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.926 8.130 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.886 6.696 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.336 8.091 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.087 8.608 5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.556 8.603 6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.886 7.530 7.072 1.00 0.00 H new ATOM 572 N LEU A 45 8.234 4.752 4.728 1.00 0.00 N ATOM 573 CA LEU A 45 7.758 3.698 3.853 1.00 0.00 C ATOM 574 C LEU A 45 7.333 4.318 2.530 1.00 0.00 C ATOM 575 O LEU A 45 6.698 5.374 2.514 1.00 0.00 O ATOM 576 CB LEU A 45 6.585 2.944 4.492 1.00 0.00 C ATOM 577 CG LEU A 45 6.940 2.049 5.688 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.076 2.868 6.963 1.00 0.00 C ATOM 579 CD2 LEU A 45 5.892 0.965 5.870 1.00 0.00 C ATOM 0 H LEU A 45 7.522 5.437 4.983 1.00 0.00 H new ATOM 0 HA LEU A 45 8.559 2.979 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.842 3.673 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.114 2.327 3.727 1.00 0.00 H new ATOM 0 HG LEU A 45 7.901 1.578 5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.328 2.209 7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.865 3.610 6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.133 3.373 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.159 0.340 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.920 1.425 6.048 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.843 0.351 4.971 1.00 0.00 H new ATOM 591 N ALA A 46 7.684 3.684 1.423 1.00 0.00 N ATOM 592 CA ALA A 46 7.340 4.219 0.114 1.00 0.00 C ATOM 593 C ALA A 46 6.845 3.127 -0.823 1.00 0.00 C ATOM 594 O ALA A 46 7.286 1.982 -0.745 1.00 0.00 O ATOM 595 CB ALA A 46 8.539 4.940 -0.484 1.00 0.00 C ATOM 0 H ALA A 46 8.202 2.806 1.403 1.00 0.00 H new ATOM 0 HA ALA A 46 6.525 4.932 0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.273 5.337 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.835 5.759 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.369 4.241 -0.589 1.00 0.00 H new ATOM 601 N CYS A 47 5.916 3.491 -1.696 1.00 0.00 N ATOM 602 CA CYS A 47 5.344 2.557 -2.658 1.00 0.00 C ATOM 603 C CYS A 47 5.661 3.000 -4.082 1.00 0.00 C ATOM 604 O CYS A 47 6.058 4.142 -4.304 1.00 0.00 O ATOM 605 CB CYS A 47 3.832 2.454 -2.458 1.00 0.00 C ATOM 606 SG CYS A 47 3.169 3.577 -1.184 1.00 0.00 S ATOM 0 H CYS A 47 5.539 4.437 -1.758 1.00 0.00 H new ATOM 0 HA CYS A 47 5.786 1.574 -2.495 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.336 2.665 -3.406 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.581 1.428 -2.188 1.00 0.00 H new ATOM 611 N ASN A 48 5.480 2.102 -5.043 1.00 0.00 N ATOM 612 CA ASN A 48 5.764 2.405 -6.442 1.00 0.00 C ATOM 613 C ASN A 48 4.498 2.777 -7.205 1.00 0.00 C ATOM 614 O ASN A 48 3.456 2.143 -7.044 1.00 0.00 O ATOM 615 CB ASN A 48 6.441 1.212 -7.125 1.00 0.00 C ATOM 616 CG ASN A 48 5.610 -0.064 -7.081 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.866 -0.310 -6.132 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.735 -0.886 -8.111 1.00 0.00 N ATOM 0 H ASN A 48 5.137 1.155 -4.879 1.00 0.00 H new ATOM 0 HA ASN A 48 6.438 3.262 -6.456 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.646 1.467 -8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.403 1.027 -6.646 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.205 -1.757 -8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.362 -0.648 -8.880 1.00 0.00 H new ATOM 625 N PRO A 49 4.579 3.801 -8.068 1.00 0.00 N ATOM 626 CA PRO A 49 3.448 4.247 -8.873 1.00 0.00 C ATOM 627 C PRO A 49 3.333 3.466 -10.182 1.00 0.00 C ATOM 628 O PRO A 49 2.583 3.839 -11.083 1.00 0.00 O ATOM 629 CB PRO A 49 3.792 5.708 -9.141 1.00 0.00 C ATOM 630 CG PRO A 49 5.285 5.744 -9.193 1.00 0.00 C ATOM 631 CD PRO A 49 5.780 4.624 -8.309 1.00 0.00 C ATOM 0 HA PRO A 49 2.489 4.101 -8.376 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.355 6.052 -10.078 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.408 6.356 -8.353 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.639 5.615 -10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.661 6.706 -8.845 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.567 4.049 -8.797 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.196 5.006 -7.377 1.00 0.00 H new ATOM 639 N ALA A 50 4.079 2.373 -10.272 1.00 0.00 N ATOM 640 CA ALA A 50 4.079 1.539 -11.465 1.00 0.00 C ATOM 641 C ALA A 50 3.275 0.262 -11.255 1.00 0.00 C ATOM 642 O ALA A 50 3.150 -0.557 -12.169 1.00 0.00 O ATOM 643 CB ALA A 50 5.508 1.204 -11.873 1.00 0.00 C ATOM 0 H ALA A 50 4.695 2.043 -9.529 1.00 0.00 H new ATOM 0 HA ALA A 50 3.602 2.103 -12.267 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.494 0.580 -12.766 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.052 2.125 -12.082 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.001 0.667 -11.063 1.00 0.00 H new ATOM 649 N ASP A 51 2.734 0.091 -10.050 1.00 0.00 N ATOM 650 CA ASP A 51 1.937 -1.095 -9.733 1.00 0.00 C ATOM 651 C ASP A 51 0.999 -0.820 -8.562 1.00 0.00 C ATOM 652 O ASP A 51 0.735 -1.696 -7.735 1.00 0.00 O ATOM 653 CB ASP A 51 2.839 -2.292 -9.407 1.00 0.00 C ATOM 654 CG ASP A 51 2.367 -3.575 -10.071 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.153 -3.868 -10.027 1.00 0.00 O ATOM 656 OD2 ASP A 51 3.211 -4.290 -10.657 1.00 0.00 O ATOM 0 H ASP A 51 2.831 0.754 -9.281 1.00 0.00 H new ATOM 0 HA ASP A 51 1.341 -1.337 -10.613 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.857 -2.074 -9.729 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.870 -2.436 -8.327 1.00 0.00 H new ATOM 661 N PHE A 52 0.485 0.396 -8.504 1.00 0.00 N ATOM 662 CA PHE A 52 -0.426 0.785 -7.436 1.00 0.00 C ATOM 663 C PHE A 52 -1.823 1.021 -8.001 1.00 0.00 C ATOM 664 O PHE A 52 -2.010 1.054 -9.218 1.00 0.00 O ATOM 665 CB PHE A 52 0.088 2.043 -6.716 1.00 0.00 C ATOM 666 CG PHE A 52 -0.378 3.343 -7.316 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.112 3.779 -8.536 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.308 4.131 -6.653 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.315 4.972 -9.082 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.738 5.325 -7.197 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.242 5.748 -8.413 1.00 0.00 C ATOM 0 H PHE A 52 0.681 1.132 -9.182 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.476 -0.024 -6.707 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.229 2.004 -5.674 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.178 2.027 -6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.836 3.178 -9.066 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.700 3.807 -5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.076 5.300 -10.034 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.463 5.928 -6.670 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.577 6.682 -8.840 1.00 0.00 H new ATOM 681 N SER A 53 -2.802 1.166 -7.128 1.00 0.00 N ATOM 682 CA SER A 53 -4.169 1.407 -7.554 1.00 0.00 C ATOM 683 C SER A 53 -4.912 2.224 -6.507 1.00 0.00 C ATOM 684 O SER A 53 -5.103 1.777 -5.377 1.00 0.00 O ATOM 685 CB SER A 53 -4.891 0.082 -7.816 1.00 0.00 C ATOM 686 OG SER A 53 -4.267 -0.631 -8.873 1.00 0.00 O ATOM 0 H SER A 53 -2.676 1.121 -6.117 1.00 0.00 H new ATOM 0 HA SER A 53 -4.148 1.974 -8.484 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.888 -0.525 -6.910 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.934 0.274 -8.067 1.00 0.00 H new ATOM 0 HG SER A 53 -3.522 -0.103 -9.229 1.00 0.00 H new ATOM 692 N SER A 54 -5.298 3.433 -6.878 1.00 0.00 N ATOM 693 CA SER A 54 -6.020 4.312 -5.979 1.00 0.00 C ATOM 694 C SER A 54 -7.514 4.017 -6.016 1.00 0.00 C ATOM 695 O SER A 54 -8.224 4.456 -6.921 1.00 0.00 O ATOM 696 CB SER A 54 -5.757 5.761 -6.376 1.00 0.00 C ATOM 697 OG SER A 54 -5.241 5.825 -7.697 1.00 0.00 O ATOM 0 H SER A 54 -5.121 3.828 -7.802 1.00 0.00 H new ATOM 0 HA SER A 54 -5.671 4.143 -4.960 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.681 6.336 -6.311 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.050 6.213 -5.680 1.00 0.00 H new ATOM 0 HG SER A 54 -4.267 5.715 -7.674 1.00 0.00 H new ATOM 703 N VAL A 55 -7.984 3.257 -5.042 1.00 0.00 N ATOM 704 CA VAL A 55 -9.392 2.910 -4.967 1.00 0.00 C ATOM 705 C VAL A 55 -10.148 3.955 -4.154 1.00 0.00 C ATOM 706 O VAL A 55 -9.656 4.436 -3.135 1.00 0.00 O ATOM 707 CB VAL A 55 -9.598 1.502 -4.353 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.043 1.425 -2.940 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.068 1.109 -4.374 1.00 0.00 C ATOM 0 H VAL A 55 -7.411 2.869 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.787 2.892 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.044 0.792 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.204 0.424 -2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.975 1.641 -2.956 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.551 2.154 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.186 0.117 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.646 1.830 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.427 1.098 -5.403 1.00 0.00 H new ATOM 719 N THR A 56 -11.326 4.333 -4.615 1.00 0.00 N ATOM 720 CA THR A 56 -12.123 5.318 -3.911 1.00 0.00 C ATOM 721 C THR A 56 -13.285 4.641 -3.192 1.00 0.00 C ATOM 722 O THR A 56 -13.933 3.744 -3.739 1.00 0.00 O ATOM 723 CB THR A 56 -12.646 6.423 -4.860 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.401 7.390 -4.122 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.509 5.850 -5.975 1.00 0.00 C ATOM 0 H THR A 56 -11.750 3.974 -5.470 1.00 0.00 H new ATOM 0 HA THR A 56 -11.478 5.798 -3.175 1.00 0.00 H new ATOM 0 HB THR A 56 -11.778 6.900 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.167 7.332 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.856 6.658 -6.619 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.922 5.144 -6.563 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.368 5.336 -5.543 1.00 0.00 H new ATOM 733 N ALA A 57 -13.529 5.050 -1.958 1.00 0.00 N ATOM 734 CA ALA A 57 -14.605 4.479 -1.171 1.00 0.00 C ATOM 735 C ALA A 57 -15.958 4.826 -1.769 1.00 0.00 C ATOM 736 O ALA A 57 -16.218 5.976 -2.132 1.00 0.00 O ATOM 737 CB ALA A 57 -14.518 4.951 0.265 1.00 0.00 C ATOM 0 H ALA A 57 -12.995 5.776 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.499 3.394 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.333 4.513 0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.564 4.642 0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.595 6.038 0.296 1.00 0.00 H new ATOM 743 N ASP A 58 -16.812 3.819 -1.868 1.00 0.00 N ATOM 744 CA ASP A 58 -18.146 3.987 -2.429 1.00 0.00 C ATOM 745 C ASP A 58 -19.092 4.593 -1.403 1.00 0.00 C ATOM 746 O ASP A 58 -18.670 4.991 -0.316 1.00 0.00 O ATOM 747 CB ASP A 58 -18.695 2.642 -2.939 1.00 0.00 C ATOM 748 CG ASP A 58 -18.797 1.572 -1.863 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.442 1.841 -0.697 1.00 0.00 O ATOM 750 OD2 ASP A 58 -19.241 0.448 -2.184 1.00 0.00 O ATOM 0 H ASP A 58 -16.603 2.868 -1.564 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.073 4.672 -3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.682 2.804 -3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.052 2.278 -3.740 1.00 0.00 H new ATOM 755 N ALA A 59 -20.375 4.654 -1.741 1.00 0.00 N ATOM 756 CA ALA A 59 -21.381 5.220 -0.847 1.00 0.00 C ATOM 757 C ALA A 59 -21.656 4.303 0.340 1.00 0.00 C ATOM 758 O ALA A 59 -22.514 4.592 1.177 1.00 0.00 O ATOM 759 CB ALA A 59 -22.669 5.495 -1.603 1.00 0.00 C ATOM 0 H ALA A 59 -20.745 4.318 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.986 6.160 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.408 5.917 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.474 6.202 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.051 4.564 -2.022 1.00 0.00 H new ATOM 765 N ASN A 60 -20.942 3.193 0.403 1.00 0.00 N ATOM 766 CA ASN A 60 -21.105 2.248 1.493 1.00 0.00 C ATOM 767 C ASN A 60 -19.935 2.370 2.451 1.00 0.00 C ATOM 768 O ASN A 60 -19.886 1.697 3.476 1.00 0.00 O ATOM 769 CB ASN A 60 -21.199 0.814 0.965 1.00 0.00 C ATOM 770 CG ASN A 60 -22.306 0.642 -0.054 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.477 0.507 0.301 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.940 0.626 -1.326 1.00 0.00 N ATOM 0 H ASN A 60 -20.243 2.924 -0.289 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.032 2.480 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.247 0.534 0.514 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.369 0.134 1.799 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.640 0.498 -2.057 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.958 0.742 -1.576 1.00 0.00 H new ATOM 779 N GLY A 61 -18.995 3.247 2.106 1.00 0.00 N ATOM 780 CA GLY A 61 -17.828 3.447 2.938 1.00 0.00 C ATOM 781 C GLY A 61 -16.876 2.273 2.860 1.00 0.00 C ATOM 782 O GLY A 61 -16.192 1.950 3.832 1.00 0.00 O ATOM 0 H GLY A 61 -19.024 3.821 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.311 4.355 2.628 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.139 3.595 3.972 1.00 0.00 H new ATOM 786 N SER A 62 -16.843 1.626 1.706 1.00 0.00 N ATOM 787 CA SER A 62 -15.979 0.476 1.508 1.00 0.00 C ATOM 788 C SER A 62 -15.071 0.667 0.295 1.00 0.00 C ATOM 789 O SER A 62 -15.455 1.314 -0.685 1.00 0.00 O ATOM 790 CB SER A 62 -16.823 -0.790 1.349 1.00 0.00 C ATOM 791 OG SER A 62 -18.079 -0.506 0.745 1.00 0.00 O ATOM 0 H SER A 62 -17.405 1.878 0.893 1.00 0.00 H new ATOM 0 HA SER A 62 -15.342 0.373 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.282 -1.516 0.742 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.983 -1.247 2.325 1.00 0.00 H new ATOM 0 HG SER A 62 -17.997 0.289 0.177 1.00 0.00 H new ATOM 797 N ALA A 63 -13.871 0.112 0.372 1.00 0.00 N ATOM 798 CA ALA A 63 -12.902 0.214 -0.711 1.00 0.00 C ATOM 799 C ALA A 63 -12.007 -1.024 -0.767 1.00 0.00 C ATOM 800 O ALA A 63 -11.191 -1.253 0.128 1.00 0.00 O ATOM 801 CB ALA A 63 -12.060 1.468 -0.547 1.00 0.00 C ATOM 0 H ALA A 63 -13.542 -0.418 1.179 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.450 0.277 -1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.340 1.532 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.707 2.345 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.528 1.428 0.404 1.00 0.00 H new ATOM 807 N SER A 64 -12.171 -1.820 -1.812 1.00 0.00 N ATOM 808 CA SER A 64 -11.378 -3.027 -1.989 1.00 0.00 C ATOM 809 C SER A 64 -10.501 -2.914 -3.231 1.00 0.00 C ATOM 810 O SER A 64 -10.897 -2.303 -4.226 1.00 0.00 O ATOM 811 CB SER A 64 -12.292 -4.248 -2.110 1.00 0.00 C ATOM 812 OG SER A 64 -13.372 -4.168 -1.200 1.00 0.00 O ATOM 0 H SER A 64 -12.850 -1.651 -2.554 1.00 0.00 H new ATOM 0 HA SER A 64 -10.737 -3.146 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.675 -4.320 -3.128 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.719 -5.155 -1.920 1.00 0.00 H new ATOM 0 HG SER A 64 -13.942 -4.959 -1.298 1.00 0.00 H new ATOM 818 N THR A 65 -9.314 -3.499 -3.167 1.00 0.00 N ATOM 819 CA THR A 65 -8.387 -3.471 -4.283 1.00 0.00 C ATOM 820 C THR A 65 -7.343 -4.583 -4.138 1.00 0.00 C ATOM 821 O THR A 65 -7.237 -5.209 -3.079 1.00 0.00 O ATOM 822 CB THR A 65 -7.689 -2.095 -4.387 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.896 -2.025 -5.577 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.813 -1.831 -3.174 1.00 0.00 C ATOM 0 H THR A 65 -8.971 -4.001 -2.348 1.00 0.00 H new ATOM 0 HA THR A 65 -8.955 -3.637 -5.198 1.00 0.00 H new ATOM 0 HB THR A 65 -8.466 -1.332 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.726 -1.086 -5.802 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.335 -0.857 -3.275 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.426 -1.843 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.048 -2.604 -3.102 1.00 0.00 H new ATOM 832 N SER A 66 -6.602 -4.835 -5.210 1.00 0.00 N ATOM 833 CA SER A 66 -5.565 -5.859 -5.220 1.00 0.00 C ATOM 834 C SER A 66 -4.306 -5.318 -5.898 1.00 0.00 C ATOM 835 O SER A 66 -4.383 -4.747 -6.988 1.00 0.00 O ATOM 836 CB SER A 66 -6.069 -7.109 -5.943 1.00 0.00 C ATOM 837 OG SER A 66 -7.188 -7.669 -5.275 1.00 0.00 O ATOM 0 H SER A 66 -6.703 -4.337 -6.094 1.00 0.00 H new ATOM 0 HA SER A 66 -5.319 -6.129 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.343 -6.855 -6.967 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.269 -7.847 -6.000 1.00 0.00 H new ATOM 0 HG SER A 66 -7.492 -8.466 -5.758 1.00 0.00 H new ATOM 843 N LEU A 67 -3.155 -5.496 -5.255 1.00 0.00 N ATOM 844 CA LEU A 67 -1.895 -4.989 -5.794 1.00 0.00 C ATOM 845 C LEU A 67 -0.885 -6.107 -6.006 1.00 0.00 C ATOM 846 O LEU A 67 -0.785 -7.029 -5.201 1.00 0.00 O ATOM 847 CB LEU A 67 -1.286 -3.936 -4.853 1.00 0.00 C ATOM 848 CG LEU A 67 -2.041 -2.608 -4.731 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.454 -2.090 -6.096 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.247 -2.757 -3.819 1.00 0.00 C ATOM 0 H LEU A 67 -3.068 -5.985 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.121 -4.534 -6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.204 -4.374 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.272 -3.722 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.367 -1.876 -4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.988 -1.147 -5.981 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.567 -1.932 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.105 -2.818 -6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.768 -1.803 -3.746 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.922 -3.509 -4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.917 -3.066 -2.827 1.00 0.00 H new ATOM 862 N THR A 68 -0.136 -6.015 -7.093 1.00 0.00 N ATOM 863 CA THR A 68 0.882 -7.004 -7.410 1.00 0.00 C ATOM 864 C THR A 68 2.206 -6.629 -6.750 1.00 0.00 C ATOM 865 O THR A 68 2.854 -5.663 -7.149 1.00 0.00 O ATOM 866 CB THR A 68 1.080 -7.111 -8.931 1.00 0.00 C ATOM 867 OG1 THR A 68 0.124 -6.276 -9.599 1.00 0.00 O ATOM 868 CG2 THR A 68 0.925 -8.549 -9.399 1.00 0.00 C ATOM 0 H THR A 68 -0.215 -5.260 -7.775 1.00 0.00 H new ATOM 0 HA THR A 68 0.548 -7.969 -7.028 1.00 0.00 H new ATOM 0 HB THR A 68 2.090 -6.780 -9.174 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.524 -5.400 -9.779 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.070 -8.598 -10.478 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.668 -9.175 -8.905 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.074 -8.907 -9.150 1.00 0.00 H new ATOM 876 N VAL A 69 2.596 -7.383 -5.731 1.00 0.00 N ATOM 877 CA VAL A 69 3.834 -7.100 -5.018 1.00 0.00 C ATOM 878 C VAL A 69 5.066 -7.463 -5.856 1.00 0.00 C ATOM 879 O VAL A 69 5.218 -8.596 -6.317 1.00 0.00 O ATOM 880 CB VAL A 69 3.882 -7.816 -3.642 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.761 -9.326 -3.791 1.00 0.00 C ATOM 882 CG2 VAL A 69 5.155 -7.450 -2.889 1.00 0.00 C ATOM 0 H VAL A 69 2.078 -8.189 -5.382 1.00 0.00 H new ATOM 0 HA VAL A 69 3.853 -6.025 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 69 3.025 -7.473 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.799 -9.793 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.814 -9.569 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.584 -9.699 -4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.169 -7.962 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.024 -7.753 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.185 -6.373 -2.727 1.00 0.00 H new ATOM 892 N ARG A 70 5.920 -6.472 -6.073 1.00 0.00 N ATOM 893 CA ARG A 70 7.144 -6.652 -6.838 1.00 0.00 C ATOM 894 C ARG A 70 8.313 -6.945 -5.908 1.00 0.00 C ATOM 895 O ARG A 70 8.250 -6.655 -4.714 1.00 0.00 O ATOM 896 CB ARG A 70 7.458 -5.393 -7.653 1.00 0.00 C ATOM 897 CG ARG A 70 6.292 -4.885 -8.486 1.00 0.00 C ATOM 898 CD ARG A 70 6.282 -5.487 -9.878 1.00 0.00 C ATOM 899 NE ARG A 70 6.148 -6.945 -9.851 1.00 0.00 N ATOM 900 CZ ARG A 70 5.058 -7.599 -10.247 1.00 0.00 C ATOM 901 NH1 ARG A 70 3.967 -6.935 -10.618 1.00 0.00 N ATOM 902 NH2 ARG A 70 5.048 -8.926 -10.255 1.00 0.00 N ATOM 0 H ARG A 70 5.783 -5.523 -5.724 1.00 0.00 H new ATOM 0 HA ARG A 70 6.997 -7.494 -7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.776 -4.603 -6.973 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.299 -5.602 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.356 -5.123 -7.982 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.346 -3.799 -8.561 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.459 -5.059 -10.451 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.204 -5.218 -10.394 1.00 0.00 H new ATOM 0 HE ARG A 70 6.937 -7.493 -9.508 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.960 -5.915 -10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.137 -7.446 -10.920 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.875 -9.444 -9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.213 -9.428 -10.558 1.00 0.00 H new ATOM 916 N ARG A 71 9.370 -7.520 -6.463 1.00 0.00 N ATOM 917 CA ARG A 71 10.566 -7.840 -5.694 1.00 0.00 C ATOM 918 C ARG A 71 11.392 -6.573 -5.470 1.00 0.00 C ATOM 919 O ARG A 71 11.949 -6.354 -4.391 1.00 0.00 O ATOM 920 CB ARG A 71 11.396 -8.897 -6.430 1.00 0.00 C ATOM 921 CG ARG A 71 12.585 -9.421 -5.637 1.00 0.00 C ATOM 922 CD ARG A 71 12.147 -10.249 -4.436 1.00 0.00 C ATOM 923 NE ARG A 71 11.441 -11.470 -4.827 1.00 0.00 N ATOM 924 CZ ARG A 71 11.402 -12.578 -4.085 1.00 0.00 C ATOM 925 NH1 ARG A 71 12.024 -12.626 -2.910 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.732 -13.637 -4.518 1.00 0.00 N ATOM 0 H ARG A 71 9.424 -7.776 -7.449 1.00 0.00 H new ATOM 0 HA ARG A 71 10.272 -8.243 -4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.749 -9.735 -6.689 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.757 -8.472 -7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 71 13.215 -10.029 -6.287 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.193 -8.582 -5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 71 13.022 -10.513 -3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 71 11.499 -9.646 -3.799 1.00 0.00 H new ATOM 0 HE ARG A 71 10.949 -11.474 -5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.536 -11.812 -2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.989 -13.477 -2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.249 -13.603 -5.416 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.700 -14.486 -3.954 1.00 0.00 H new ATOM 940 N SER A 72 11.464 -5.755 -6.508 1.00 0.00 N ATOM 941 CA SER A 72 12.179 -4.490 -6.467 1.00 0.00 C ATOM 942 C SER A 72 11.305 -3.418 -7.104 1.00 0.00 C ATOM 943 O SER A 72 10.686 -3.659 -8.144 1.00 0.00 O ATOM 944 CB SER A 72 13.513 -4.602 -7.210 1.00 0.00 C ATOM 945 OG SER A 72 14.061 -5.906 -7.091 1.00 0.00 O ATOM 0 H SER A 72 11.025 -5.951 -7.408 1.00 0.00 H new ATOM 0 HA SER A 72 12.395 -4.224 -5.432 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.367 -4.361 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.217 -3.872 -6.811 1.00 0.00 H new ATOM 0 HG SER A 72 14.475 -6.008 -6.209 1.00 0.00 H new ATOM 951 N PHE A 73 11.234 -2.249 -6.484 1.00 0.00 N ATOM 952 CA PHE A 73 10.407 -1.169 -7.000 1.00 0.00 C ATOM 953 C PHE A 73 10.916 0.186 -6.528 1.00 0.00 C ATOM 954 O PHE A 73 11.656 0.275 -5.556 1.00 0.00 O ATOM 955 CB PHE A 73 8.960 -1.371 -6.544 1.00 0.00 C ATOM 956 CG PHE A 73 8.794 -1.368 -5.047 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.032 -2.518 -4.307 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.400 -0.219 -4.381 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.880 -2.519 -2.934 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.247 -0.214 -3.010 1.00 0.00 C ATOM 961 CZ PHE A 73 8.487 -1.365 -2.288 1.00 0.00 C ATOM 0 H PHE A 73 11.737 -2.025 -5.626 1.00 0.00 H new ATOM 0 HA PHE A 73 10.455 -1.187 -8.089 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.340 -0.583 -6.972 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.592 -2.317 -6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.340 -3.423 -4.811 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.210 0.684 -4.942 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.068 -3.420 -2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.940 0.689 -2.503 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.367 -1.363 -1.215 1.00 0.00 H new ATOM 971 N GLU A 74 10.521 1.239 -7.226 1.00 0.00 N ATOM 972 CA GLU A 74 10.926 2.592 -6.865 1.00 0.00 C ATOM 973 C GLU A 74 9.997 3.163 -5.802 1.00 0.00 C ATOM 974 O GLU A 74 8.786 3.220 -5.997 1.00 0.00 O ATOM 975 CB GLU A 74 10.918 3.507 -8.093 1.00 0.00 C ATOM 976 CG GLU A 74 11.524 2.876 -9.331 1.00 0.00 C ATOM 977 CD GLU A 74 10.483 2.285 -10.259 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.865 1.265 -9.897 1.00 0.00 O ATOM 979 OE2 GLU A 74 10.278 2.838 -11.361 1.00 0.00 O ATOM 0 H GLU A 74 9.919 1.184 -8.048 1.00 0.00 H new ATOM 0 HA GLU A 74 11.939 2.542 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.890 3.798 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.465 4.420 -7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.101 3.627 -9.871 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.222 2.094 -9.030 1.00 0.00 H new ATOM 986 N GLY A 75 10.568 3.579 -4.682 1.00 0.00 N ATOM 987 CA GLY A 75 9.776 4.150 -3.611 1.00 0.00 C ATOM 988 C GLY A 75 9.402 5.582 -3.910 1.00 0.00 C ATOM 989 O GLY A 75 10.278 6.420 -4.147 1.00 0.00 O ATOM 0 H GLY A 75 11.569 3.531 -4.494 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.872 3.558 -3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.337 4.105 -2.677 1.00 0.00 H new ATOM 993 N PHE A 76 8.113 5.879 -3.897 1.00 0.00 N ATOM 994 CA PHE A 76 7.643 7.218 -4.206 1.00 0.00 C ATOM 995 C PHE A 76 6.717 7.751 -3.126 1.00 0.00 C ATOM 996 O PHE A 76 5.985 6.994 -2.484 1.00 0.00 O ATOM 997 CB PHE A 76 6.901 7.212 -5.541 1.00 0.00 C ATOM 998 CG PHE A 76 7.758 7.545 -6.726 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.674 6.632 -7.217 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.635 8.770 -7.353 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.456 6.938 -8.312 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.412 9.082 -8.449 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.325 8.165 -8.930 1.00 0.00 C ATOM 0 H PHE A 76 7.374 5.211 -3.676 1.00 0.00 H new ATOM 0 HA PHE A 76 8.516 7.868 -4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.459 6.227 -5.693 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.079 7.926 -5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.778 5.670 -6.738 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.923 9.491 -6.981 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.170 6.218 -8.685 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.306 10.043 -8.931 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.935 8.407 -9.788 1.00 0.00 H new ATOM 1013 N LEU A 77 6.762 9.060 -2.934 1.00 0.00 N ATOM 1014 CA LEU A 77 5.915 9.736 -1.966 1.00 0.00 C ATOM 1015 C LEU A 77 4.638 10.196 -2.661 1.00 0.00 C ATOM 1016 O LEU A 77 4.544 10.120 -3.886 1.00 0.00 O ATOM 1017 CB LEU A 77 6.661 10.929 -1.357 1.00 0.00 C ATOM 1018 CG LEU A 77 7.498 10.620 -0.107 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.514 9.525 -0.380 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.203 11.874 0.371 1.00 0.00 C ATOM 0 H LEU A 77 7.387 9.683 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 77 5.656 9.051 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.318 11.350 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.933 11.699 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 77 6.822 10.267 0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.090 9.330 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.996 8.615 -0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.186 9.843 -1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.794 11.644 1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.860 12.245 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.463 12.636 0.616 1.00 0.00 H new ATOM 1032 N PHE A 78 3.673 10.694 -1.903 1.00 0.00 N ATOM 1033 CA PHE A 78 2.404 11.132 -2.483 1.00 0.00 C ATOM 1034 C PHE A 78 2.577 12.403 -3.308 1.00 0.00 C ATOM 1035 O PHE A 78 1.782 12.686 -4.208 1.00 0.00 O ATOM 1036 CB PHE A 78 1.359 11.355 -1.390 1.00 0.00 C ATOM 1037 CG PHE A 78 0.992 10.107 -0.631 1.00 0.00 C ATOM 1038 CD1 PHE A 78 0.848 8.891 -1.283 1.00 0.00 C ATOM 1039 CD2 PHE A 78 0.784 10.153 0.737 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.506 7.747 -0.583 1.00 0.00 C ATOM 1041 CE2 PHE A 78 0.441 9.013 1.439 1.00 0.00 C ATOM 1042 CZ PHE A 78 0.302 7.812 0.779 1.00 0.00 C ATOM 0 H PHE A 78 3.739 10.806 -0.891 1.00 0.00 H new ATOM 0 HA PHE A 78 2.058 10.341 -3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.736 12.098 -0.687 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.459 11.771 -1.842 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.005 8.836 -2.350 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.891 11.091 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.399 6.806 -1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.282 9.064 2.506 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.033 6.922 1.328 1.00 0.00 H new ATOM 1052 N ASP A 79 3.622 13.160 -3.013 1.00 0.00 N ATOM 1053 CA ASP A 79 3.888 14.400 -3.732 1.00 0.00 C ATOM 1054 C ASP A 79 4.587 14.119 -5.064 1.00 0.00 C ATOM 1055 O ASP A 79 4.480 14.902 -6.009 1.00 0.00 O ATOM 1056 CB ASP A 79 4.740 15.345 -2.876 1.00 0.00 C ATOM 1057 CG ASP A 79 6.225 15.067 -2.984 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.634 13.907 -2.795 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.995 16.011 -3.260 1.00 0.00 O ATOM 0 H ASP A 79 4.299 12.940 -2.283 1.00 0.00 H new ATOM 0 HA ASP A 79 2.932 14.881 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.546 16.374 -3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.435 15.256 -1.833 1.00 0.00 H new ATOM 1064 N GLY A 80 5.288 12.997 -5.135 1.00 0.00 N ATOM 1065 CA GLY A 80 5.992 12.635 -6.352 1.00 0.00 C ATOM 1066 C GLY A 80 7.477 12.438 -6.119 1.00 0.00 C ATOM 1067 O GLY A 80 8.212 12.032 -7.025 1.00 0.00 O ATOM 0 H GLY A 80 5.383 12.328 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.565 11.718 -6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.844 13.413 -7.100 1.00 0.00 H new ATOM 1071 N THR A 81 7.922 12.739 -4.906 1.00 0.00 N ATOM 1072 CA THR A 81 9.321 12.589 -4.545 1.00 0.00 C ATOM 1073 C THR A 81 9.704 11.117 -4.480 1.00 0.00 C ATOM 1074 O THR A 81 8.973 10.294 -3.927 1.00 0.00 O ATOM 1075 CB THR A 81 9.616 13.265 -3.189 1.00 0.00 C ATOM 1076 OG1 THR A 81 9.323 14.664 -3.280 1.00 0.00 O ATOM 1077 CG2 THR A 81 11.070 13.075 -2.771 1.00 0.00 C ATOM 0 H THR A 81 7.329 13.090 -4.154 1.00 0.00 H new ATOM 0 HA THR A 81 9.917 13.077 -5.316 1.00 0.00 H new ATOM 0 HB THR A 81 8.985 12.797 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.508 15.094 -2.419 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.240 13.564 -1.812 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.286 12.011 -2.678 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.725 13.514 -3.523 1.00 0.00 H new ATOM 1085 N ARG A 82 10.841 10.789 -5.069 1.00 0.00 N ATOM 1086 CA ARG A 82 11.332 9.420 -5.076 1.00 0.00 C ATOM 1087 C ARG A 82 12.388 9.242 -3.992 1.00 0.00 C ATOM 1088 O ARG A 82 13.359 9.993 -3.933 1.00 0.00 O ATOM 1089 CB ARG A 82 11.907 9.039 -6.450 1.00 0.00 C ATOM 1090 CG ARG A 82 12.498 10.207 -7.230 1.00 0.00 C ATOM 1091 CD ARG A 82 11.445 10.905 -8.080 1.00 0.00 C ATOM 1092 NE ARG A 82 11.982 12.047 -8.813 1.00 0.00 N ATOM 1093 CZ ARG A 82 11.223 12.997 -9.361 1.00 0.00 C ATOM 1094 NH1 ARG A 82 9.907 12.974 -9.205 1.00 0.00 N ATOM 1095 NH2 ARG A 82 11.789 13.985 -10.046 1.00 0.00 N ATOM 0 H ARG A 82 11.445 11.455 -5.551 1.00 0.00 H new ATOM 0 HA ARG A 82 10.492 8.756 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.680 8.283 -6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.118 8.582 -7.047 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.939 10.923 -6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.303 9.847 -7.871 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.022 10.191 -8.787 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.630 11.240 -7.439 1.00 0.00 H new ATOM 0 HE ARG A 82 12.994 12.123 -8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.471 12.228 -8.664 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.331 13.703 -9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.803 14.016 -10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.209 14.712 -10.466 1.00 0.00 H new ATOM 1109 N TRP A 83 12.197 8.249 -3.136 1.00 0.00 N ATOM 1110 CA TRP A 83 13.131 8.001 -2.046 1.00 0.00 C ATOM 1111 C TRP A 83 14.256 7.069 -2.486 1.00 0.00 C ATOM 1112 O TRP A 83 15.343 7.072 -1.905 1.00 0.00 O ATOM 1113 CB TRP A 83 12.395 7.415 -0.841 1.00 0.00 C ATOM 1114 CG TRP A 83 13.008 7.815 0.469 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.029 7.191 1.127 1.00 0.00 C ATOM 1116 CD2 TRP A 83 12.645 8.942 1.273 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.317 7.856 2.293 1.00 0.00 N ATOM 1118 CE2 TRP A 83 13.480 8.933 2.406 1.00 0.00 C ATOM 1119 CE3 TRP A 83 11.693 9.958 1.146 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 13.390 9.900 3.406 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 11.605 10.916 2.138 1.00 0.00 C ATOM 1122 CH2 TRP A 83 12.449 10.880 3.254 1.00 0.00 C ATOM 0 H TRP A 83 11.408 7.604 -3.174 1.00 0.00 H new ATOM 0 HA TRP A 83 13.576 8.953 -1.759 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.355 7.740 -0.864 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.391 6.328 -0.918 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.536 6.303 0.780 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.037 7.591 2.965 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.038 9.993 0.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.039 9.876 4.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 10.873 11.705 2.051 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.355 11.644 4.012 1.00 0.00 H new ATOM 1133 N GLY A 84 13.994 6.283 -3.517 1.00 0.00 N ATOM 1134 CA GLY A 84 14.990 5.358 -4.018 1.00 0.00 C ATOM 1135 C GLY A 84 14.387 4.008 -4.335 1.00 0.00 C ATOM 1136 O GLY A 84 13.203 3.782 -4.084 1.00 0.00 O ATOM 0 H GLY A 84 13.106 6.268 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.452 5.770 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.781 5.239 -3.278 1.00 0.00 H new ATOM 1140 N THR A 85 15.189 3.111 -4.882 1.00 0.00 N ATOM 1141 CA THR A 85 14.708 1.783 -5.229 1.00 0.00 C ATOM 1142 C THR A 85 14.646 0.885 -3.999 1.00 0.00 C ATOM 1143 O THR A 85 15.660 0.609 -3.362 1.00 0.00 O ATOM 1144 CB THR A 85 15.596 1.122 -6.301 1.00 0.00 C ATOM 1145 OG1 THR A 85 15.830 2.044 -7.376 1.00 0.00 O ATOM 1146 CG2 THR A 85 14.934 -0.138 -6.849 1.00 0.00 C ATOM 0 H THR A 85 16.173 3.276 -5.095 1.00 0.00 H new ATOM 0 HA THR A 85 13.704 1.905 -5.635 1.00 0.00 H new ATOM 0 HB THR A 85 16.544 0.848 -5.839 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.396 1.619 -8.054 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.578 -0.588 -7.604 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.775 -0.848 -6.037 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.975 0.121 -7.298 1.00 0.00 H new ATOM 1154 N VAL A 86 13.445 0.441 -3.669 1.00 0.00 N ATOM 1155 CA VAL A 86 13.232 -0.431 -2.530 1.00 0.00 C ATOM 1156 C VAL A 86 13.248 -1.880 -2.994 1.00 0.00 C ATOM 1157 O VAL A 86 12.494 -2.260 -3.892 1.00 0.00 O ATOM 1158 CB VAL A 86 11.887 -0.152 -1.826 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.944 -0.592 -0.373 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.509 1.318 -1.932 1.00 0.00 C ATOM 0 H VAL A 86 12.595 0.674 -4.182 1.00 0.00 H new ATOM 0 HA VAL A 86 14.034 -0.240 -1.817 1.00 0.00 H new ATOM 0 HB VAL A 86 11.114 -0.732 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.987 -0.387 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.153 -1.661 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.733 -0.044 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.557 1.486 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.281 1.927 -1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.417 1.595 -2.982 1.00 0.00 H new ATOM 1170 N ASP A 87 14.118 -2.677 -2.407 1.00 0.00 N ATOM 1171 CA ASP A 87 14.220 -4.085 -2.762 1.00 0.00 C ATOM 1172 C ASP A 87 13.854 -4.946 -1.565 1.00 0.00 C ATOM 1173 O ASP A 87 14.314 -4.690 -0.450 1.00 0.00 O ATOM 1174 CB ASP A 87 15.634 -4.412 -3.242 1.00 0.00 C ATOM 1175 CG ASP A 87 15.756 -5.829 -3.751 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.905 -6.748 -2.926 1.00 0.00 O ATOM 1177 OD2 ASP A 87 15.703 -6.031 -4.980 1.00 0.00 O ATOM 0 H ASP A 87 14.767 -2.376 -1.680 1.00 0.00 H new ATOM 0 HA ASP A 87 13.525 -4.296 -3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.915 -3.719 -4.035 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.337 -4.261 -2.423 1.00 0.00 H new ATOM 1182 N CYS A 88 13.027 -5.955 -1.790 1.00 0.00 N ATOM 1183 CA CYS A 88 12.595 -6.834 -0.717 1.00 0.00 C ATOM 1184 C CYS A 88 13.037 -8.278 -0.953 1.00 0.00 C ATOM 1185 O CYS A 88 12.348 -9.215 -0.555 1.00 0.00 O ATOM 1186 CB CYS A 88 11.073 -6.768 -0.571 1.00 0.00 C ATOM 1187 SG CYS A 88 10.429 -5.093 -0.237 1.00 0.00 S ATOM 0 H CYS A 88 12.642 -6.185 -2.706 1.00 0.00 H new ATOM 0 HA CYS A 88 13.066 -6.491 0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.614 -7.147 -1.484 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.767 -7.431 0.238 1.00 0.00 H new ATOM 1192 N THR A 89 14.185 -8.461 -1.602 1.00 0.00 N ATOM 1193 CA THR A 89 14.695 -9.801 -1.851 1.00 0.00 C ATOM 1194 C THR A 89 15.107 -10.461 -0.537 1.00 0.00 C ATOM 1195 O THR A 89 14.741 -11.602 -0.265 1.00 0.00 O ATOM 1196 CB THR A 89 15.883 -9.788 -2.835 1.00 0.00 C ATOM 1197 OG1 THR A 89 15.530 -9.041 -4.007 1.00 0.00 O ATOM 1198 CG2 THR A 89 16.277 -11.202 -3.240 1.00 0.00 C ATOM 0 H THR A 89 14.771 -7.707 -1.960 1.00 0.00 H new ATOM 0 HA THR A 89 13.893 -10.379 -2.309 1.00 0.00 H new ATOM 0 HB THR A 89 16.732 -9.322 -2.336 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.231 -8.145 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 89 17.117 -11.161 -3.934 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.566 -11.767 -2.354 1.00 0.00 H new ATOM 0 HG23 THR A 89 15.431 -11.691 -3.723 1.00 0.00 H new ATOM 1206 N THR A 90 15.851 -9.732 0.280 1.00 0.00 N ATOM 1207 CA THR A 90 16.282 -10.241 1.574 1.00 0.00 C ATOM 1208 C THR A 90 15.719 -9.364 2.691 1.00 0.00 C ATOM 1209 O THR A 90 15.762 -9.726 3.869 1.00 0.00 O ATOM 1210 CB THR A 90 17.825 -10.312 1.682 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.211 -10.798 2.975 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.465 -8.953 1.433 1.00 0.00 C ATOM 0 H THR A 90 16.169 -8.786 0.071 1.00 0.00 H new ATOM 0 HA THR A 90 15.898 -11.256 1.676 1.00 0.00 H new ATOM 0 HB THR A 90 18.178 -11.001 0.914 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.458 -10.709 3.596 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.548 -9.040 1.517 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.205 -8.606 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.100 -8.238 2.171 1.00 0.00 H new ATOM 1220 N ALA A 91 15.174 -8.219 2.305 1.00 0.00 N ATOM 1221 CA ALA A 91 14.592 -7.287 3.254 1.00 0.00 C ATOM 1222 C ALA A 91 13.107 -7.573 3.443 1.00 0.00 C ATOM 1223 O ALA A 91 12.558 -8.494 2.829 1.00 0.00 O ATOM 1224 CB ALA A 91 14.813 -5.856 2.783 1.00 0.00 C ATOM 0 H ALA A 91 15.124 -7.914 1.333 1.00 0.00 H new ATOM 0 HA ALA A 91 15.084 -7.414 4.218 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.373 -5.164 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.882 -5.661 2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.342 -5.716 1.810 1.00 0.00 H new ATOM 1230 N ALA A 92 12.464 -6.803 4.304 1.00 0.00 N ATOM 1231 CA ALA A 92 11.046 -6.974 4.573 1.00 0.00 C ATOM 1232 C ALA A 92 10.206 -6.058 3.695 1.00 0.00 C ATOM 1233 O ALA A 92 10.599 -4.927 3.398 1.00 0.00 O ATOM 1234 CB ALA A 92 10.751 -6.710 6.039 1.00 0.00 C ATOM 0 H ALA A 92 12.904 -6.049 4.832 1.00 0.00 H new ATOM 0 HA ALA A 92 10.781 -8.005 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.685 -6.842 6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.316 -7.409 6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.040 -5.689 6.290 1.00 0.00 H new ATOM 1240 N CYS A 93 9.053 -6.558 3.285 1.00 0.00 N ATOM 1241 CA CYS A 93 8.134 -5.800 2.448 1.00 0.00 C ATOM 1242 C CYS A 93 6.756 -5.744 3.103 1.00 0.00 C ATOM 1243 O CYS A 93 6.376 -6.655 3.839 1.00 0.00 O ATOM 1244 CB CYS A 93 8.032 -6.446 1.060 1.00 0.00 C ATOM 1245 SG CYS A 93 8.411 -5.317 -0.322 1.00 0.00 S ATOM 0 H CYS A 93 8.727 -7.495 3.520 1.00 0.00 H new ATOM 0 HA CYS A 93 8.513 -4.784 2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.713 -7.296 1.017 1.00 0.00 H new ATOM 0 HB3 CYS A 93 7.024 -6.838 0.928 1.00 0.00 H new ATOM 1250 N GLN A 94 6.011 -4.677 2.845 1.00 0.00 N ATOM 1251 CA GLN A 94 4.679 -4.527 3.416 1.00 0.00 C ATOM 1252 C GLN A 94 3.765 -3.776 2.456 1.00 0.00 C ATOM 1253 O GLN A 94 4.217 -3.262 1.431 1.00 0.00 O ATOM 1254 CB GLN A 94 4.735 -3.810 4.773 1.00 0.00 C ATOM 1255 CG GLN A 94 5.503 -2.500 4.765 1.00 0.00 C ATOM 1256 CD GLN A 94 6.900 -2.646 5.339 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.864 -2.897 4.613 1.00 0.00 O ATOM 1258 NE2 GLN A 94 7.019 -2.490 6.648 1.00 0.00 N ATOM 0 H GLN A 94 6.305 -3.905 2.246 1.00 0.00 H new ATOM 0 HA GLN A 94 4.271 -5.525 3.577 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.716 -3.617 5.109 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.190 -4.478 5.504 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.570 -2.127 3.743 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.953 -1.756 5.340 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.196 -2.283 7.214 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.934 -2.577 7.091 1.00 0.00 H new ATOM 1267 N VAL A 95 2.480 -3.729 2.786 1.00 0.00 N ATOM 1268 CA VAL A 95 1.493 -3.049 1.956 1.00 0.00 C ATOM 1269 C VAL A 95 0.915 -1.847 2.700 1.00 0.00 C ATOM 1270 O VAL A 95 0.649 -1.920 3.904 1.00 0.00 O ATOM 1271 CB VAL A 95 0.350 -4.008 1.539 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.658 -3.309 0.634 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.918 -5.249 0.858 1.00 0.00 C ATOM 0 H VAL A 95 2.095 -4.157 3.628 1.00 0.00 H new ATOM 0 HA VAL A 95 1.997 -2.706 1.052 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.176 -4.317 2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.447 -4.009 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.093 -2.460 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.155 -2.957 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.102 -5.912 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.475 -4.953 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.584 -5.769 1.547 1.00 0.00 H new ATOM 1283 N GLY A 96 0.724 -0.748 1.983 1.00 0.00 N ATOM 1284 CA GLY A 96 0.201 0.452 2.593 1.00 0.00 C ATOM 1285 C GLY A 96 -1.086 0.922 1.957 1.00 0.00 C ATOM 1286 O GLY A 96 -1.267 0.808 0.745 1.00 0.00 O ATOM 0 H GLY A 96 0.924 -0.669 0.986 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.031 0.270 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.946 1.244 2.522 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.981 1.448 2.785 1.00 0.00 N ATOM 1291 CA LEU A 97 -3.270 1.951 2.328 1.00 0.00 C ATOM 1292 C LEU A 97 -3.721 3.107 3.216 1.00 0.00 C ATOM 1293 O LEU A 97 -3.917 2.934 4.420 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.328 0.839 2.342 1.00 0.00 C ATOM 1295 CG LEU A 97 -4.292 -0.090 3.559 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -5.702 -0.431 4.007 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -3.517 -1.359 3.243 1.00 0.00 C ATOM 0 H LEU A 97 -1.834 1.538 3.790 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.156 2.304 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.314 1.299 2.287 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.208 0.235 1.442 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.784 0.430 4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.659 -1.092 4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.230 0.484 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.231 -0.930 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.503 -2.005 4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.996 -1.881 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.495 -1.102 2.966 1.00 0.00 H new ATOM 1309 N SER A 98 -3.864 4.283 2.630 1.00 0.00 N ATOM 1310 CA SER A 98 -4.288 5.459 3.378 1.00 0.00 C ATOM 1311 C SER A 98 -4.924 6.488 2.455 1.00 0.00 C ATOM 1312 O SER A 98 -4.871 6.346 1.236 1.00 0.00 O ATOM 1313 CB SER A 98 -3.089 6.071 4.100 1.00 0.00 C ATOM 1314 OG SER A 98 -1.940 6.095 3.265 1.00 0.00 O ATOM 0 H SER A 98 -3.693 4.451 1.639 1.00 0.00 H new ATOM 0 HA SER A 98 -5.034 5.153 4.112 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.332 7.085 4.417 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.874 5.498 5.002 1.00 0.00 H new ATOM 0 HG SER A 98 -1.189 6.493 3.753 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.525 7.513 3.041 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.165 8.573 2.270 1.00 0.00 C ATOM 1322 C ASP A 99 -5.116 9.561 1.763 1.00 0.00 C ATOM 1323 O ASP A 99 -3.917 9.304 1.865 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.211 9.299 3.125 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.600 10.297 4.094 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.605 9.954 4.766 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.117 11.431 4.190 1.00 0.00 O ATOM 0 H ASP A 99 -5.584 7.635 4.052 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.669 8.126 1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.910 9.819 2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.787 8.563 3.686 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.572 10.682 1.221 1.00 0.00 N ATOM 1333 CA ALA A 100 -4.676 11.705 0.697 1.00 0.00 C ATOM 1334 C ALA A 100 -3.784 12.286 1.796 1.00 0.00 C ATOM 1335 O ALA A 100 -2.672 12.743 1.532 1.00 0.00 O ATOM 1336 CB ALA A 100 -5.476 12.809 0.028 1.00 0.00 C ATOM 0 H ALA A 100 -6.563 10.907 1.132 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.028 11.235 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.796 13.567 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.058 12.390 -0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.149 13.263 0.756 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.278 12.271 3.027 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.520 12.789 4.152 1.00 0.00 C ATOM 1344 C ALA A 101 -2.491 11.769 4.618 1.00 0.00 C ATOM 1345 O ALA A 101 -1.352 12.119 4.933 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.452 13.173 5.292 1.00 0.00 C ATOM 0 H ALA A 101 -5.199 11.906 3.269 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.990 13.685 3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.866 13.559 6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.147 13.940 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.011 12.295 5.616 1.00 0.00 H new ATOM 1352 N GLY A 102 -2.895 10.509 4.646 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.001 9.450 5.065 1.00 0.00 C ATOM 1354 C GLY A 102 -2.538 8.689 6.257 1.00 0.00 C ATOM 1355 O GLY A 102 -1.782 8.035 6.980 1.00 0.00 O ATOM 0 H GLY A 102 -3.831 10.199 4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.844 8.760 4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.029 9.875 5.315 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.846 8.763 6.460 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.488 8.084 7.577 1.00 0.00 C ATOM 1361 C ASN A 103 -5.386 6.963 7.077 1.00 0.00 C ATOM 1362 O ASN A 103 -5.871 7.003 5.943 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.305 9.078 8.405 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.433 10.069 9.148 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.334 9.738 9.593 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.908 11.295 9.282 1.00 0.00 N ATOM 0 H ASN A 103 -4.485 9.288 5.864 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.710 7.653 8.208 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.986 9.619 7.748 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.919 8.531 9.121 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.359 12.004 9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.823 11.532 8.900 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.596 5.961 7.915 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.436 4.843 7.545 1.00 0.00 C ATOM 1375 C GLY A 104 -6.041 3.583 8.283 1.00 0.00 C ATOM 1376 O GLY A 104 -5.372 3.662 9.316 1.00 0.00 O ATOM 0 H GLY A 104 -5.196 5.902 8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.477 5.082 7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.365 4.674 6.471 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.447 2.407 7.782 1.00 0.00 N ATOM 1381 CA PRO A 105 -6.110 1.120 8.402 1.00 0.00 C ATOM 1382 C PRO A 105 -4.600 0.905 8.477 1.00 0.00 C ATOM 1383 O PRO A 105 -3.862 1.278 7.563 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.757 0.086 7.474 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.809 0.837 6.730 1.00 0.00 C ATOM 1386 CD PRO A 105 -7.281 2.236 6.579 1.00 0.00 C ATOM 0 HA PRO A 105 -6.464 1.055 9.431 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.024 -0.345 6.792 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.188 -0.738 8.042 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.000 0.384 5.757 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.753 0.832 7.275 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.699 2.351 5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -8.086 2.969 6.539 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.153 0.308 9.570 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.738 0.047 9.789 1.00 0.00 C ATOM 1396 C GLU A 106 -2.181 -0.902 8.730 1.00 0.00 C ATOM 1397 O GLU A 106 -2.768 -1.954 8.458 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.550 -0.541 11.186 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.102 -0.691 11.615 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.977 -1.434 12.928 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.334 -0.858 13.976 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.539 -2.604 12.916 1.00 0.00 O ATOM 0 H GLU A 106 -4.757 -0.009 10.328 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.189 0.985 9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.065 0.094 11.906 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.030 -1.519 11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.548 -1.223 10.842 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.648 0.295 11.711 1.00 0.00 H new ATOM 1409 N GLY A 107 -1.054 -0.520 8.136 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.427 -1.341 7.119 1.00 0.00 C ATOM 1411 C GLY A 107 0.123 -2.628 7.695 1.00 0.00 C ATOM 1412 O GLY A 107 0.644 -2.640 8.813 1.00 0.00 O ATOM 0 H GLY A 107 -0.562 0.349 8.344 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.154 -1.573 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.380 -0.781 6.646 1.00 0.00 H new ATOM 1416 N VAL A 108 0.012 -3.707 6.938 1.00 0.00 N ATOM 1417 CA VAL A 108 0.483 -5.012 7.386 1.00 0.00 C ATOM 1418 C VAL A 108 1.694 -5.451 6.572 1.00 0.00 C ATOM 1419 O VAL A 108 1.768 -5.190 5.368 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.623 -6.083 7.267 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.263 -7.320 8.073 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.962 -5.527 7.722 1.00 0.00 C ATOM 0 H VAL A 108 -0.402 -3.707 6.006 1.00 0.00 H new ATOM 0 HA VAL A 108 0.762 -4.913 8.435 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.706 -6.367 6.218 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.056 -8.062 7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.672 -7.738 7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.147 -7.049 9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.727 -6.298 7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.890 -5.210 8.762 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.231 -4.673 7.101 1.00 0.00 H new ATOM 1432 N ALA A 109 2.643 -6.106 7.230 1.00 0.00 N ATOM 1433 CA ALA A 109 3.851 -6.578 6.569 1.00 0.00 C ATOM 1434 C ALA A 109 3.685 -8.007 6.075 1.00 0.00 C ATOM 1435 O ALA A 109 2.850 -8.764 6.582 1.00 0.00 O ATOM 1436 CB ALA A 109 5.044 -6.474 7.509 1.00 0.00 C ATOM 0 H ALA A 109 2.597 -6.323 8.226 1.00 0.00 H new ATOM 0 HA ALA A 109 4.031 -5.943 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.940 -6.831 7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.184 -5.434 7.805 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.863 -7.082 8.395 1.00 0.00 H new ATOM 1442 N ILE A 110 4.477 -8.369 5.075 1.00 0.00 N ATOM 1443 CA ILE A 110 4.438 -9.703 4.499 1.00 0.00 C ATOM 1444 C ILE A 110 5.842 -10.298 4.469 1.00 0.00 C ATOM 1445 O ILE A 110 6.797 -9.677 4.938 1.00 0.00 O ATOM 1446 CB ILE A 110 3.863 -9.696 3.063 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.701 -8.796 2.152 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.411 -9.240 3.068 1.00 0.00 C ATOM 1449 CD1 ILE A 110 4.403 -8.972 0.678 1.00 0.00 C ATOM 0 H ILE A 110 5.161 -7.748 4.643 1.00 0.00 H new ATOM 0 HA ILE A 110 3.783 -10.308 5.126 1.00 0.00 H new ATOM 0 HB ILE A 110 3.903 -10.714 2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.528 -7.755 2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.757 -9.001 2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.025 -9.242 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.819 -9.919 3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.348 -8.232 3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.035 -8.301 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 110 4.603 -10.003 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.355 -8.738 0.488 1.00 0.00 H new ATOM 1461 N SER A 111 5.962 -11.500 3.931 1.00 0.00 N ATOM 1462 CA SER A 111 7.247 -12.179 3.834 1.00 0.00 C ATOM 1463 C SER A 111 7.239 -13.140 2.652 1.00 0.00 C ATOM 1464 O SER A 111 6.193 -13.691 2.307 1.00 0.00 O ATOM 1465 CB SER A 111 7.542 -12.937 5.130 1.00 0.00 C ATOM 1466 OG SER A 111 7.447 -12.072 6.252 1.00 0.00 O ATOM 0 H SER A 111 5.179 -12.031 3.551 1.00 0.00 H new ATOM 0 HA SER A 111 8.029 -11.436 3.679 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.840 -13.763 5.241 1.00 0.00 H new ATOM 0 HB3 SER A 111 8.541 -13.371 5.083 1.00 0.00 H new ATOM 0 HG SER A 111 7.638 -12.576 7.071 1.00 0.00 H new ATOM 1472 N PHE A 112 8.394 -13.324 2.028 1.00 0.00 N ATOM 1473 CA PHE A 112 8.520 -14.219 0.883 1.00 0.00 C ATOM 1474 C PHE A 112 9.062 -15.573 1.332 1.00 0.00 C ATOM 1475 O PHE A 112 9.688 -15.676 2.389 1.00 0.00 O ATOM 1476 CB PHE A 112 9.445 -13.610 -0.177 1.00 0.00 C ATOM 1477 CG PHE A 112 8.946 -12.306 -0.741 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.820 -12.268 -1.550 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.604 -11.119 -0.463 1.00 0.00 C ATOM 1480 CE1 PHE A 112 7.362 -11.071 -2.070 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.149 -9.921 -0.980 1.00 0.00 C ATOM 1482 CZ PHE A 112 8.027 -9.897 -1.783 1.00 0.00 C ATOM 0 H PHE A 112 9.263 -12.863 2.297 1.00 0.00 H new ATOM 0 HA PHE A 112 7.532 -14.359 0.444 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.430 -13.452 0.261 1.00 0.00 H new ATOM 0 HB3 PHE A 112 9.569 -14.324 -0.991 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.295 -13.184 -1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.483 -11.130 0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 112 6.485 -11.055 -2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.672 -9.003 -0.755 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.670 -8.961 -2.186 1.00 0.00 H new ATOM 1492 N ASN A 113 8.814 -16.611 0.547 1.00 0.00 N ATOM 1493 CA ASN A 113 9.293 -17.945 0.892 1.00 0.00 C ATOM 1494 C ASN A 113 10.742 -18.110 0.467 1.00 0.00 C ATOM 1495 O ASN A 113 11.503 -18.782 1.189 1.00 0.00 O ATOM 1496 CB ASN A 113 8.426 -19.047 0.267 1.00 0.00 C ATOM 1497 CG ASN A 113 8.327 -18.958 -1.247 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.274 -19.273 -1.967 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.166 -18.565 -1.739 1.00 0.00 N ATOM 1500 OXT ASN A 113 11.126 -17.538 -0.571 1.00 0.00 O ATOM 0 H ASN A 113 8.289 -16.559 -0.326 1.00 0.00 H new ATOM 0 HA ASN A 113 9.222 -18.048 1.975 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.837 -20.019 0.539 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.424 -18.994 0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.031 -18.515 -2.749 1.00 0.00 H new ATOM 0 HD22 ASN A 113 6.405 -18.312 -1.109 1.00 0.00 H new