USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 981 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 88 LYS NZ :NH3+ -150:sc= 2.01 (180deg=1.13) USER MOD Set 1.2: A 93 TYR OH : rot 0:sc= 0.658 USER MOD Set 2.1: A 68 MET CE :methyl -154:sc= -0.171 (180deg=-0.494) USER MOD Set 2.2: A 74 CYS SG : rot 78:sc= 0.217 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 170:sc= 2.06 (180deg=1.08) USER MOD Set 3.2: A 62 THR OG1 : rot 170:sc= 0.795 USER MOD Set 4.1: A 12 HIS : no HE2:sc= 0.27 K(o=1.7,f=-0.85) USER MOD Set 4.2: A 16 THR OG1 : rot -60:sc= 1.43 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 0.358 (180deg=0.199) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= 1.24 (180deg=1.21) USER MOD Single : A 30 MET CE :methyl -110:sc= -1.13 (180deg=-4.94!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 91:sc= 1.27 USER MOD Single : A 45 MET CE :methyl -166:sc= -0.099 (180deg=-0.275) USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= 1.27 (180deg=1.01) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 1.95 (180deg=1.95) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0092 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.959 USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= 0.805 (180deg=0.0348) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 163:sc= -0.0144 (180deg=-0.211) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 0.63 (180deg=0.408) USER MOD Single : A 98 SER OG : rot 122:sc= 2.2 USER MOD Single : A 109 THR OG1 : rot -30:sc= 0.651 USER MOD Single : A 110 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 118 TYR OH : rot -156:sc= 1.19 USER MOD Single : A 124 TYR OH : rot 167:sc= 1.23 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.905 -0.007 -5.894 1.00 0.00 N ATOM 2 CA MET A 1 6.160 0.516 -4.723 1.00 0.00 C ATOM 3 C MET A 1 7.148 0.926 -3.621 1.00 0.00 C ATOM 4 O MET A 1 8.218 0.325 -3.490 1.00 0.00 O ATOM 5 CB MET A 1 5.109 -0.499 -4.218 1.00 0.00 C ATOM 6 CG MET A 1 4.139 0.106 -3.189 1.00 0.00 C ATOM 7 SD MET A 1 2.784 -0.991 -2.687 1.00 0.00 S ATOM 8 CE MET A 1 1.910 0.127 -1.555 1.00 0.00 C ATOM 0 H1 MET A 1 6.283 -0.625 -6.454 1.00 0.00 H new ATOM 0 H2 MET A 1 7.226 0.787 -6.484 1.00 0.00 H new ATOM 0 H3 MET A 1 7.729 -0.551 -5.567 1.00 0.00 H new ATOM 0 HA MET A 1 5.604 1.403 -5.027 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.540 -0.878 -5.067 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.620 -1.351 -3.771 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.704 0.392 -2.302 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.714 1.020 -3.604 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.037 -0.381 -1.144 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.577 0.417 -0.743 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.590 1.017 -2.097 1.00 0.00 H new ATOM 20 N ALA A 2 6.791 1.926 -2.805 1.00 0.00 N ATOM 21 CA ALA A 2 7.525 2.331 -1.610 1.00 0.00 C ATOM 22 C ALA A 2 6.494 2.670 -0.536 1.00 0.00 C ATOM 23 O ALA A 2 5.439 3.214 -0.865 1.00 0.00 O ATOM 24 CB ALA A 2 8.396 3.556 -1.923 1.00 0.00 C ATOM 0 H ALA A 2 5.957 2.490 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 2 8.182 1.532 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.941 3.853 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.104 3.306 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.762 4.379 -2.252 1.00 0.00 H new ATOM 30 N SER A 3 6.808 2.410 0.732 1.00 0.00 N ATOM 31 CA SER A 3 5.910 2.560 1.882 1.00 0.00 C ATOM 32 C SER A 3 5.804 4.028 2.350 1.00 0.00 C ATOM 33 O SER A 3 5.615 4.313 3.535 1.00 0.00 O ATOM 34 CB SER A 3 6.408 1.641 3.009 1.00 0.00 C ATOM 35 OG SER A 3 6.669 0.329 2.525 1.00 0.00 O ATOM 0 H SER A 3 7.733 2.075 1.000 1.00 0.00 H new ATOM 0 HA SER A 3 4.901 2.269 1.589 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.315 2.057 3.447 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.662 1.597 3.803 1.00 0.00 H new ATOM 0 HG SER A 3 6.986 -0.234 3.262 1.00 0.00 H new ATOM 41 N VAL A 4 6.040 4.965 1.433 1.00 0.00 N ATOM 42 CA VAL A 4 6.187 6.394 1.686 1.00 0.00 C ATOM 43 C VAL A 4 4.857 7.064 2.103 1.00 0.00 C ATOM 44 O VAL A 4 4.877 8.166 2.655 1.00 0.00 O ATOM 45 CB VAL A 4 6.848 7.018 0.432 1.00 0.00 C ATOM 46 CG1 VAL A 4 5.917 7.002 -0.785 1.00 0.00 C ATOM 47 CG2 VAL A 4 7.396 8.430 0.673 1.00 0.00 C ATOM 0 H VAL A 4 6.138 4.734 0.444 1.00 0.00 H new ATOM 0 HA VAL A 4 6.832 6.567 2.548 1.00 0.00 H new ATOM 0 HB VAL A 4 7.703 6.378 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.426 7.450 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.647 5.973 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.015 7.571 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.845 8.808 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.583 9.089 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.150 8.398 1.459 1.00 0.00 H new ATOM 57 N GLU A 5 3.703 6.433 1.849 1.00 0.00 N ATOM 58 CA GLU A 5 2.387 6.977 2.192 1.00 0.00 C ATOM 59 C GLU A 5 2.190 7.099 3.714 1.00 0.00 C ATOM 60 O GLU A 5 2.870 6.423 4.493 1.00 0.00 O ATOM 61 CB GLU A 5 1.270 6.133 1.548 1.00 0.00 C ATOM 62 CG GLU A 5 0.989 4.758 2.190 1.00 0.00 C ATOM 63 CD GLU A 5 2.169 3.772 2.164 1.00 0.00 C ATOM 64 OE1 GLU A 5 2.921 3.765 1.163 1.00 0.00 O ATOM 65 OE2 GLU A 5 2.309 2.969 3.115 1.00 0.00 O ATOM 0 H GLU A 5 3.659 5.521 1.395 1.00 0.00 H new ATOM 0 HA GLU A 5 2.332 7.988 1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 5 0.348 6.714 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 5 1.523 5.975 0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.688 4.913 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.143 4.301 1.677 1.00 0.00 H new ATOM 72 N ARG A 6 1.220 7.922 4.143 1.00 0.00 N ATOM 73 CA ARG A 6 0.822 7.983 5.554 1.00 0.00 C ATOM 74 C ARG A 6 0.221 6.644 5.972 1.00 0.00 C ATOM 75 O ARG A 6 0.662 6.044 6.953 1.00 0.00 O ATOM 76 CB ARG A 6 -0.214 9.092 5.813 1.00 0.00 C ATOM 77 CG ARG A 6 0.311 10.518 5.593 1.00 0.00 C ATOM 78 CD ARG A 6 -0.726 11.552 6.058 1.00 0.00 C ATOM 79 NE ARG A 6 -0.830 11.609 7.530 1.00 0.00 N ATOM 80 CZ ARG A 6 -1.795 12.223 8.228 1.00 0.00 C ATOM 81 NH1 ARG A 6 -2.779 12.870 7.608 1.00 0.00 N ATOM 82 NH2 ARG A 6 -1.769 12.187 9.557 1.00 0.00 N ATOM 0 H ARG A 6 0.699 8.552 3.533 1.00 0.00 H new ATOM 0 HA ARG A 6 1.715 8.206 6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.072 8.930 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.572 9.005 6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.243 10.657 6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.536 10.670 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.454 12.536 5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.700 11.304 5.635 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.100 11.138 8.064 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.805 12.903 6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.507 13.333 8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.017 11.694 10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.501 12.652 10.094 1.00 0.00 H new ATOM 96 N ASP A 7 -0.791 6.194 5.231 1.00 0.00 N ATOM 97 CA ASP A 7 -1.548 4.969 5.450 1.00 0.00 C ATOM 98 C ASP A 7 -2.311 4.688 4.146 1.00 0.00 C ATOM 99 O ASP A 7 -2.127 5.394 3.148 1.00 0.00 O ATOM 100 CB ASP A 7 -2.506 5.146 6.648 1.00 0.00 C ATOM 101 CG ASP A 7 -2.912 3.793 7.256 1.00 0.00 C ATOM 102 OD1 ASP A 7 -3.910 3.195 6.801 1.00 0.00 O ATOM 103 OD2 ASP A 7 -2.229 3.320 8.192 1.00 0.00 O ATOM 0 H ASP A 7 -1.121 6.708 4.414 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.898 4.128 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.025 5.758 7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.398 5.682 6.324 1.00 0.00 H new ATOM 108 N GLU A 8 -3.213 3.707 4.137 1.00 0.00 N ATOM 109 CA GLU A 8 -4.092 3.410 3.008 1.00 0.00 C ATOM 110 C GLU A 8 -5.107 4.539 2.742 1.00 0.00 C ATOM 111 O GLU A 8 -5.903 4.437 1.811 1.00 0.00 O ATOM 112 CB GLU A 8 -4.805 2.066 3.239 1.00 0.00 C ATOM 113 CG GLU A 8 -3.825 0.884 3.273 1.00 0.00 C ATOM 114 CD GLU A 8 -4.565 -0.458 3.413 1.00 0.00 C ATOM 115 OE1 GLU A 8 -4.809 -0.912 4.555 1.00 0.00 O ATOM 116 OE2 GLU A 8 -4.896 -1.090 2.383 1.00 0.00 O ATOM 0 H GLU A 8 -3.355 3.084 4.932 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.472 3.336 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.355 2.106 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.537 1.905 2.448 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.228 0.878 2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.133 1.008 4.106 1.00 0.00 H new ATOM 123 N THR A 9 -5.083 5.628 3.515 1.00 0.00 N ATOM 124 CA THR A 9 -5.825 6.848 3.255 1.00 0.00 C ATOM 125 C THR A 9 -5.518 7.351 1.840 1.00 0.00 C ATOM 126 O THR A 9 -6.423 7.607 1.041 1.00 0.00 O ATOM 127 CB THR A 9 -5.372 7.876 4.312 1.00 0.00 C ATOM 128 OG1 THR A 9 -3.963 7.809 4.503 1.00 0.00 O ATOM 129 CG2 THR A 9 -6.022 7.632 5.676 1.00 0.00 C ATOM 0 H THR A 9 -4.524 5.678 4.367 1.00 0.00 H new ATOM 0 HA THR A 9 -6.901 6.683 3.318 1.00 0.00 H new ATOM 0 HB THR A 9 -5.675 8.852 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.692 8.469 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.671 8.381 6.385 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.106 7.702 5.580 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.753 6.639 6.035 1.00 0.00 H new ATOM 137 N ARG A 10 -4.226 7.446 1.510 1.00 0.00 N ATOM 138 CA ARG A 10 -3.776 7.916 0.206 1.00 0.00 C ATOM 139 C ARG A 10 -4.172 6.924 -0.880 1.00 0.00 C ATOM 140 O ARG A 10 -4.671 7.347 -1.919 1.00 0.00 O ATOM 141 CB ARG A 10 -2.257 8.151 0.234 1.00 0.00 C ATOM 142 CG ARG A 10 -1.828 9.345 1.112 1.00 0.00 C ATOM 143 CD ARG A 10 -2.242 10.707 0.527 1.00 0.00 C ATOM 144 NE ARG A 10 -1.979 11.818 1.463 1.00 0.00 N ATOM 145 CZ ARG A 10 -1.900 13.120 1.145 1.00 0.00 C ATOM 146 NH1 ARG A 10 -1.904 13.533 -0.117 1.00 0.00 N ATOM 147 NH2 ARG A 10 -1.820 14.034 2.106 1.00 0.00 N ATOM 0 H ARG A 10 -3.466 7.198 2.143 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.261 8.865 -0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.766 7.249 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.905 8.316 -0.784 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.266 9.234 2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.745 9.325 1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.700 10.881 -0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.303 10.687 0.279 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.845 11.573 2.444 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.968 12.854 -0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.843 14.529 -0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.819 13.746 3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.760 15.023 1.865 1.00 0.00 H new ATOM 161 N GLU A 11 -4.021 5.620 -0.630 1.00 0.00 N ATOM 162 CA GLU A 11 -4.438 4.582 -1.571 1.00 0.00 C ATOM 163 C GLU A 11 -5.927 4.728 -1.901 1.00 0.00 C ATOM 164 O GLU A 11 -6.301 4.673 -3.072 1.00 0.00 O ATOM 165 CB GLU A 11 -4.163 3.178 -1.004 1.00 0.00 C ATOM 166 CG GLU A 11 -2.682 2.885 -0.732 1.00 0.00 C ATOM 167 CD GLU A 11 -1.829 2.982 -2.004 1.00 0.00 C ATOM 168 OE1 GLU A 11 -1.942 2.108 -2.893 1.00 0.00 O ATOM 169 OE2 GLU A 11 -1.018 3.929 -2.098 1.00 0.00 O ATOM 0 H GLU A 11 -3.607 5.257 0.229 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.856 4.705 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.721 3.058 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.546 2.435 -1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.305 3.588 0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.583 1.887 -0.306 1.00 0.00 H new ATOM 176 N HIS A 12 -6.765 4.961 -0.884 1.00 0.00 N ATOM 177 CA HIS A 12 -8.200 5.135 -1.058 1.00 0.00 C ATOM 178 C HIS A 12 -8.476 6.364 -1.923 1.00 0.00 C ATOM 179 O HIS A 12 -9.251 6.271 -2.874 1.00 0.00 O ATOM 180 CB HIS A 12 -8.882 5.236 0.318 1.00 0.00 C ATOM 181 CG HIS A 12 -10.374 4.987 0.323 1.00 0.00 C ATOM 182 ND1 HIS A 12 -11.335 5.561 -0.487 1.00 0.00 N ATOM 183 CD2 HIS A 12 -11.036 4.156 1.190 1.00 0.00 C ATOM 184 CE1 HIS A 12 -12.534 5.082 -0.119 1.00 0.00 C ATOM 185 NE2 HIS A 12 -12.407 4.217 0.905 1.00 0.00 N ATOM 0 H HIS A 12 -6.458 5.033 0.086 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.617 4.270 -1.574 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.409 4.522 0.992 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.695 6.230 0.725 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -11.163 6.233 -1.235 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.578 3.556 1.962 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.472 5.353 -0.581 1.00 0.00 H new ATOM 193 N ARG A 13 -7.843 7.511 -1.643 1.00 0.00 N ATOM 194 CA ARG A 13 -8.047 8.728 -2.437 1.00 0.00 C ATOM 195 C ARG A 13 -7.619 8.506 -3.885 1.00 0.00 C ATOM 196 O ARG A 13 -8.361 8.874 -4.793 1.00 0.00 O ATOM 197 CB ARG A 13 -7.279 9.914 -1.824 1.00 0.00 C ATOM 198 CG ARG A 13 -7.861 10.419 -0.491 1.00 0.00 C ATOM 199 CD ARG A 13 -9.232 11.108 -0.618 1.00 0.00 C ATOM 200 NE ARG A 13 -9.180 12.335 -1.434 1.00 0.00 N ATOM 201 CZ ARG A 13 -8.763 13.545 -1.047 1.00 0.00 C ATOM 202 NH1 ARG A 13 -8.325 13.772 0.191 1.00 0.00 N ATOM 203 NH2 ARG A 13 -8.799 14.524 -1.937 1.00 0.00 N ATOM 0 H ARG A 13 -7.185 7.621 -0.872 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.111 8.965 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.242 9.619 -1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.271 10.736 -2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.953 9.576 0.194 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.156 11.119 -0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.944 10.412 -1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.604 11.354 0.377 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.497 12.252 -2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.302 13.012 0.871 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.013 14.706 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.137 14.342 -2.882 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.489 15.460 -1.678 1.00 0.00 H new ATOM 217 N ILE A 14 -6.463 7.882 -4.113 1.00 0.00 N ATOM 218 CA ILE A 14 -5.984 7.572 -5.455 1.00 0.00 C ATOM 219 C ILE A 14 -7.064 6.753 -6.173 1.00 0.00 C ATOM 220 O ILE A 14 -7.564 7.169 -7.220 1.00 0.00 O ATOM 221 CB ILE A 14 -4.597 6.881 -5.359 1.00 0.00 C ATOM 222 CG1 ILE A 14 -3.523 7.913 -4.940 1.00 0.00 C ATOM 223 CG2 ILE A 14 -4.177 6.209 -6.679 1.00 0.00 C ATOM 224 CD1 ILE A 14 -2.214 7.289 -4.443 1.00 0.00 C ATOM 0 H ILE A 14 -5.834 7.578 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.821 8.467 -6.055 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.682 6.097 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.305 8.559 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.932 8.548 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.200 5.742 -6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.911 5.450 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.123 6.959 -7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.515 8.079 -4.169 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.416 6.666 -3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.779 6.678 -5.234 1.00 0.00 H new ATOM 236 N GLU A 15 -7.464 5.629 -5.582 1.00 0.00 N ATOM 237 CA GLU A 15 -8.343 4.657 -6.215 1.00 0.00 C ATOM 238 C GLU A 15 -9.757 5.199 -6.460 1.00 0.00 C ATOM 239 O GLU A 15 -10.358 4.866 -7.480 1.00 0.00 O ATOM 240 CB GLU A 15 -8.368 3.405 -5.320 1.00 0.00 C ATOM 241 CG GLU A 15 -9.351 2.334 -5.804 1.00 0.00 C ATOM 242 CD GLU A 15 -9.202 1.026 -5.006 1.00 0.00 C ATOM 243 OE1 GLU A 15 -9.869 0.864 -3.959 1.00 0.00 O ATOM 244 OE2 GLU A 15 -8.433 0.133 -5.430 1.00 0.00 O ATOM 0 H GLU A 15 -7.181 5.367 -4.638 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.957 4.417 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.367 2.977 -5.278 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.632 3.698 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.371 2.705 -5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.182 2.136 -6.863 1.00 0.00 H new ATOM 251 N THR A 16 -10.286 6.030 -5.557 1.00 0.00 N ATOM 252 CA THR A 16 -11.698 6.430 -5.574 1.00 0.00 C ATOM 253 C THR A 16 -11.922 7.876 -6.046 1.00 0.00 C ATOM 254 O THR A 16 -13.072 8.314 -6.127 1.00 0.00 O ATOM 255 CB THR A 16 -12.367 6.127 -4.216 1.00 0.00 C ATOM 256 OG1 THR A 16 -11.779 6.853 -3.154 1.00 0.00 O ATOM 257 CG2 THR A 16 -12.308 4.633 -3.870 1.00 0.00 C ATOM 0 H THR A 16 -9.750 6.444 -4.795 1.00 0.00 H new ATOM 0 HA THR A 16 -12.193 5.820 -6.329 1.00 0.00 H new ATOM 0 HB THR A 16 -13.406 6.436 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.829 6.622 -3.087 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.790 4.463 -2.907 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.825 4.060 -4.640 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.267 4.313 -3.817 1.00 0.00 H new ATOM 265 N GLU A 17 -10.862 8.608 -6.410 1.00 0.00 N ATOM 266 CA GLU A 17 -10.983 9.986 -6.885 1.00 0.00 C ATOM 267 C GLU A 17 -10.011 10.284 -8.029 1.00 0.00 C ATOM 268 O GLU A 17 -10.430 10.868 -9.029 1.00 0.00 O ATOM 269 CB GLU A 17 -10.786 10.945 -5.698 1.00 0.00 C ATOM 270 CG GLU A 17 -11.027 12.416 -6.062 1.00 0.00 C ATOM 271 CD GLU A 17 -10.988 13.317 -4.815 1.00 0.00 C ATOM 272 OE1 GLU A 17 -10.014 13.241 -4.033 1.00 0.00 O ATOM 273 OE2 GLU A 17 -11.932 14.115 -4.614 1.00 0.00 O ATOM 0 H GLU A 17 -9.903 8.262 -6.383 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.982 10.133 -7.297 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.464 10.661 -4.893 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.772 10.834 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.270 12.745 -6.774 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.994 12.517 -6.555 1.00 0.00 H new ATOM 280 N ILE A 18 -8.741 9.878 -7.926 1.00 0.00 N ATOM 281 CA ILE A 18 -7.724 10.307 -8.890 1.00 0.00 C ATOM 282 C ILE A 18 -7.788 9.430 -10.149 1.00 0.00 C ATOM 283 O ILE A 18 -7.794 9.964 -11.256 1.00 0.00 O ATOM 284 CB ILE A 18 -6.320 10.344 -8.240 1.00 0.00 C ATOM 285 CG1 ILE A 18 -6.359 11.175 -6.930 1.00 0.00 C ATOM 286 CG2 ILE A 18 -5.290 10.928 -9.223 1.00 0.00 C ATOM 287 CD1 ILE A 18 -5.004 11.413 -6.254 1.00 0.00 C ATOM 0 H ILE A 18 -8.396 9.259 -7.192 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.933 11.330 -9.204 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.019 9.325 -7.995 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.810 12.143 -7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.015 10.670 -6.221 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.307 10.948 -8.751 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.250 10.309 -10.119 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.582 11.942 -9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.148 12.003 -5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.553 10.455 -5.995 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.346 11.950 -6.937 1.00 0.00 H new ATOM 299 N ILE A 19 -7.889 8.103 -10.003 1.00 0.00 N ATOM 300 CA ILE A 19 -7.871 7.156 -11.124 1.00 0.00 C ATOM 301 C ILE A 19 -9.135 6.282 -11.168 1.00 0.00 C ATOM 302 O ILE A 19 -9.179 5.298 -11.902 1.00 0.00 O ATOM 303 CB ILE A 19 -6.561 6.352 -11.125 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.367 5.639 -9.778 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.367 7.262 -11.476 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.327 4.543 -9.885 1.00 0.00 C ATOM 0 H ILE A 19 -7.987 7.652 -9.093 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.894 7.722 -12.055 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.618 5.583 -11.895 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.061 6.362 -9.021 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.315 5.214 -9.448 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.449 6.675 -11.472 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.517 7.694 -12.466 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.290 8.062 -10.739 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.211 4.056 -8.917 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.647 3.809 -10.624 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.374 4.974 -10.191 1.00 0.00 H new ATOM 318 N VAL A 20 -10.179 6.642 -10.416 1.00 0.00 N ATOM 319 CA VAL A 20 -11.451 5.919 -10.378 1.00 0.00 C ATOM 320 C VAL A 20 -12.066 5.724 -11.776 1.00 0.00 C ATOM 321 O VAL A 20 -12.663 4.681 -12.049 1.00 0.00 O ATOM 322 CB VAL A 20 -12.389 6.635 -9.383 1.00 0.00 C ATOM 323 CG1 VAL A 20 -12.853 8.028 -9.841 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.600 5.779 -8.996 1.00 0.00 C ATOM 0 H VAL A 20 -10.162 7.459 -9.806 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.282 4.902 -10.024 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.769 6.784 -8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.508 8.460 -9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.985 8.673 -9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.395 7.940 -10.783 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.226 6.330 -8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.178 5.541 -9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.258 4.855 -8.529 1.00 0.00 H new ATOM 334 N ASP A 21 -11.900 6.703 -12.674 1.00 0.00 N ATOM 335 CA ASP A 21 -12.456 6.671 -14.030 1.00 0.00 C ATOM 336 C ASP A 21 -11.539 5.933 -15.019 1.00 0.00 C ATOM 337 O ASP A 21 -11.943 5.643 -16.147 1.00 0.00 O ATOM 338 CB ASP A 21 -12.691 8.114 -14.498 1.00 0.00 C ATOM 339 CG ASP A 21 -13.381 8.183 -15.872 1.00 0.00 C ATOM 340 OD1 ASP A 21 -14.549 7.747 -15.992 1.00 0.00 O ATOM 341 OD2 ASP A 21 -12.785 8.731 -16.827 1.00 0.00 O ATOM 0 H ASP A 21 -11.368 7.550 -12.475 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.396 6.120 -14.004 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.302 8.636 -13.762 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.736 8.636 -14.548 1.00 0.00 H new ATOM 346 N ALA A 22 -10.296 5.641 -14.618 1.00 0.00 N ATOM 347 CA ALA A 22 -9.279 5.058 -15.484 1.00 0.00 C ATOM 348 C ALA A 22 -9.456 3.538 -15.633 1.00 0.00 C ATOM 349 O ALA A 22 -10.314 2.926 -14.991 1.00 0.00 O ATOM 350 CB ALA A 22 -7.892 5.400 -14.931 1.00 0.00 C ATOM 0 H ALA A 22 -9.969 5.808 -13.666 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.387 5.483 -16.482 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.127 4.966 -15.575 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.769 6.483 -14.900 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.792 4.995 -13.924 1.00 0.00 H new ATOM 356 N GLU A 23 -8.606 2.922 -16.464 1.00 0.00 N ATOM 357 CA GLU A 23 -8.606 1.481 -16.716 1.00 0.00 C ATOM 358 C GLU A 23 -7.180 0.987 -16.990 1.00 0.00 C ATOM 359 O GLU A 23 -6.761 -0.016 -16.413 1.00 0.00 O ATOM 360 CB GLU A 23 -9.546 1.180 -17.897 1.00 0.00 C ATOM 361 CG GLU A 23 -9.702 -0.326 -18.154 1.00 0.00 C ATOM 362 CD GLU A 23 -10.734 -0.606 -19.262 1.00 0.00 C ATOM 363 OE1 GLU A 23 -10.358 -0.659 -20.455 1.00 0.00 O ATOM 364 OE2 GLU A 23 -11.932 -0.801 -18.952 1.00 0.00 O ATOM 0 H GLU A 23 -7.888 3.422 -16.988 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.969 0.949 -15.836 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.525 1.615 -17.698 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.161 1.661 -18.796 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.738 -0.749 -18.438 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.010 -0.823 -17.234 1.00 0.00 H new ATOM 371 N ASP A 24 -6.397 1.720 -17.788 1.00 0.00 N ATOM 372 CA ASP A 24 -5.028 1.363 -18.182 1.00 0.00 C ATOM 373 C ASP A 24 -4.156 2.612 -18.070 1.00 0.00 C ATOM 374 O ASP A 24 -4.672 3.715 -17.903 1.00 0.00 O ATOM 375 CB ASP A 24 -5.019 0.793 -19.612 1.00 0.00 C ATOM 376 CG ASP A 24 -3.802 -0.091 -19.955 1.00 0.00 C ATOM 377 OD1 ASP A 24 -2.764 -0.041 -19.257 1.00 0.00 O ATOM 378 OD2 ASP A 24 -3.879 -0.842 -20.953 1.00 0.00 O ATOM 0 H ASP A 24 -6.706 2.605 -18.190 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.630 0.590 -17.525 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.927 0.208 -19.759 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.057 1.623 -20.318 1.00 0.00 H new ATOM 383 N LYS A 25 -2.841 2.453 -18.159 1.00 0.00 N ATOM 384 CA LYS A 25 -1.819 3.462 -17.873 1.00 0.00 C ATOM 385 C LYS A 25 -2.061 4.820 -18.531 1.00 0.00 C ATOM 386 O LYS A 25 -1.835 5.842 -17.888 1.00 0.00 O ATOM 387 CB LYS A 25 -0.434 2.884 -18.205 1.00 0.00 C ATOM 388 CG LYS A 25 -0.235 2.513 -19.689 1.00 0.00 C ATOM 389 CD LYS A 25 1.005 1.633 -19.912 1.00 0.00 C ATOM 390 CE LYS A 25 0.922 0.254 -19.232 1.00 0.00 C ATOM 391 NZ LYS A 25 -0.110 -0.637 -19.822 1.00 0.00 N ATOM 0 H LYS A 25 -2.432 1.565 -18.450 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.876 3.685 -16.808 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.327 3.611 -17.920 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.270 1.995 -17.596 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.119 1.989 -20.051 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.141 3.425 -20.279 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.150 1.491 -20.983 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.884 2.159 -19.539 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.894 -0.235 -19.300 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.708 0.393 -18.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.154 -1.630 -19.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.030 -0.446 -19.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.178 -0.460 -20.845 1.00 0.00 H new ATOM 405 N GLU A 26 -2.547 4.850 -19.773 1.00 0.00 N ATOM 406 CA GLU A 26 -2.805 6.107 -20.475 1.00 0.00 C ATOM 407 C GLU A 26 -3.980 6.831 -19.809 1.00 0.00 C ATOM 408 O GLU A 26 -3.927 8.034 -19.556 1.00 0.00 O ATOM 409 CB GLU A 26 -3.106 5.831 -21.959 1.00 0.00 C ATOM 410 CG GLU A 26 -1.906 5.225 -22.704 1.00 0.00 C ATOM 411 CD GLU A 26 -2.240 4.944 -24.180 1.00 0.00 C ATOM 412 OE1 GLU A 26 -2.727 3.834 -24.498 1.00 0.00 O ATOM 413 OE2 GLU A 26 -2.000 5.815 -25.047 1.00 0.00 O ATOM 0 H GLU A 26 -2.770 4.015 -20.314 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.922 6.743 -20.419 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.955 5.152 -22.033 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.398 6.762 -22.446 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.058 5.907 -22.646 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.604 4.299 -22.216 1.00 0.00 H new ATOM 420 N GLU A 27 -5.027 6.081 -19.462 1.00 0.00 N ATOM 421 CA GLU A 27 -6.200 6.607 -18.779 1.00 0.00 C ATOM 422 C GLU A 27 -5.840 7.004 -17.345 1.00 0.00 C ATOM 423 O GLU A 27 -6.366 7.986 -16.830 1.00 0.00 O ATOM 424 CB GLU A 27 -7.336 5.571 -18.783 1.00 0.00 C ATOM 425 CG GLU A 27 -7.685 5.010 -20.172 1.00 0.00 C ATOM 426 CD GLU A 27 -8.062 6.103 -21.191 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.002 6.888 -20.933 1.00 0.00 O ATOM 428 OE2 GLU A 27 -7.446 6.164 -22.279 1.00 0.00 O ATOM 0 H GLU A 27 -5.081 5.080 -19.651 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.545 7.494 -19.310 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.058 4.743 -18.131 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.228 6.028 -18.355 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.834 4.445 -20.553 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.515 4.310 -20.076 1.00 0.00 H new ATOM 435 N ARG A 28 -4.930 6.272 -16.692 1.00 0.00 N ATOM 436 CA ARG A 28 -4.501 6.586 -15.329 1.00 0.00 C ATOM 437 C ARG A 28 -3.708 7.888 -15.335 1.00 0.00 C ATOM 438 O ARG A 28 -3.960 8.740 -14.485 1.00 0.00 O ATOM 439 CB ARG A 28 -3.692 5.425 -14.727 1.00 0.00 C ATOM 440 CG ARG A 28 -4.523 4.139 -14.561 1.00 0.00 C ATOM 441 CD ARG A 28 -3.645 2.928 -14.228 1.00 0.00 C ATOM 442 NE ARG A 28 -4.311 1.657 -14.574 1.00 0.00 N ATOM 443 CZ ARG A 28 -3.729 0.450 -14.573 1.00 0.00 C ATOM 444 NH1 ARG A 28 -2.468 0.311 -14.173 1.00 0.00 N ATOM 445 NH2 ARG A 28 -4.414 -0.611 -14.985 1.00 0.00 N ATOM 0 H ARG A 28 -4.475 5.452 -17.092 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.378 6.721 -14.695 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.834 5.217 -15.366 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.301 5.727 -13.755 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.259 4.282 -13.770 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.077 3.944 -15.479 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.702 3.003 -14.769 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.404 2.935 -13.165 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.296 1.701 -14.836 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.938 1.126 -13.865 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.031 -0.611 -14.175 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.378 -0.505 -15.300 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.976 -1.532 -14.986 1.00 0.00 H new ATOM 459 N ALA A 29 -2.819 8.083 -16.314 1.00 0.00 N ATOM 460 CA ALA A 29 -2.125 9.349 -16.499 1.00 0.00 C ATOM 461 C ALA A 29 -3.134 10.483 -16.703 1.00 0.00 C ATOM 462 O ALA A 29 -2.984 11.543 -16.098 1.00 0.00 O ATOM 463 CB ALA A 29 -1.160 9.247 -17.684 1.00 0.00 C ATOM 0 H ALA A 29 -2.565 7.367 -16.995 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.545 9.574 -15.604 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.644 10.198 -17.816 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.429 8.462 -17.491 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.719 9.008 -18.589 1.00 0.00 H new ATOM 469 N MET A 30 -4.187 10.265 -17.498 1.00 0.00 N ATOM 470 CA MET A 30 -5.249 11.254 -17.658 1.00 0.00 C ATOM 471 C MET A 30 -5.999 11.509 -16.349 1.00 0.00 C ATOM 472 O MET A 30 -6.302 12.661 -16.060 1.00 0.00 O ATOM 473 CB MET A 30 -6.202 10.881 -18.798 1.00 0.00 C ATOM 474 CG MET A 30 -5.540 10.980 -20.179 1.00 0.00 C ATOM 475 SD MET A 30 -5.025 12.640 -20.720 1.00 0.00 S ATOM 476 CE MET A 30 -3.357 12.789 -20.013 1.00 0.00 C ATOM 0 H MET A 30 -4.323 9.411 -18.039 1.00 0.00 H new ATOM 0 HA MET A 30 -4.770 12.193 -17.933 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.564 9.864 -18.645 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.072 11.537 -18.769 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.663 10.333 -20.183 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.234 10.581 -20.919 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.369 13.519 -19.204 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.039 11.822 -19.624 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.662 13.115 -20.786 1.00 0.00 H new ATOM 486 N GLY A 31 -6.244 10.487 -15.527 1.00 0.00 N ATOM 487 CA GLY A 31 -6.849 10.651 -14.212 1.00 0.00 C ATOM 488 C GLY A 31 -6.021 11.598 -13.341 1.00 0.00 C ATOM 489 O GLY A 31 -6.543 12.600 -12.842 1.00 0.00 O ATOM 0 H GLY A 31 -6.026 9.518 -15.760 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.861 11.042 -14.320 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.932 9.681 -13.723 1.00 0.00 H new ATOM 493 N TRP A 32 -4.713 11.335 -13.232 1.00 0.00 N ATOM 494 CA TRP A 32 -3.786 12.209 -12.521 1.00 0.00 C ATOM 495 C TRP A 32 -3.809 13.626 -13.101 1.00 0.00 C ATOM 496 O TRP A 32 -3.931 14.588 -12.342 1.00 0.00 O ATOM 497 CB TRP A 32 -2.368 11.616 -12.555 1.00 0.00 C ATOM 498 CG TRP A 32 -2.121 10.525 -11.557 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.110 9.193 -11.791 1.00 0.00 C ATOM 500 CD2 TRP A 32 -1.837 10.671 -10.135 1.00 0.00 C ATOM 501 NE1 TRP A 32 -1.872 8.509 -10.617 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.718 9.372 -9.555 1.00 0.00 C ATOM 503 CE3 TRP A 32 -1.682 11.779 -9.275 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -1.490 9.184 -8.184 1.00 0.00 C ATOM 505 CZ3 TRP A 32 -1.424 11.600 -7.905 1.00 0.00 C ATOM 506 CH2 TRP A 32 -1.334 10.307 -7.358 1.00 0.00 C ATOM 0 H TRP A 32 -4.272 10.509 -13.636 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.104 12.279 -11.481 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.176 11.226 -13.554 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.650 12.417 -12.382 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.265 8.732 -12.756 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.817 7.493 -10.545 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.763 12.779 -9.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.435 8.188 -7.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.294 12.462 -7.267 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.145 10.179 -6.302 1.00 0.00 H new ATOM 517 N TYR A 33 -3.738 13.759 -14.427 1.00 0.00 N ATOM 518 CA TYR A 33 -3.707 15.043 -15.108 1.00 0.00 C ATOM 519 C TYR A 33 -4.969 15.849 -14.804 1.00 0.00 C ATOM 520 O TYR A 33 -4.862 17.013 -14.423 1.00 0.00 O ATOM 521 CB TYR A 33 -3.525 14.795 -16.613 1.00 0.00 C ATOM 522 CG TYR A 33 -3.839 15.967 -17.523 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.175 17.194 -17.366 1.00 0.00 C ATOM 524 CD2 TYR A 33 -4.820 15.834 -18.521 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.491 18.289 -18.188 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.166 16.930 -19.328 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.492 18.163 -19.177 1.00 0.00 C ATOM 528 OH TYR A 33 -4.820 19.215 -19.979 1.00 0.00 O ATOM 0 H TYR A 33 -3.700 12.962 -15.062 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.868 15.638 -14.748 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.493 14.491 -16.789 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.158 13.956 -16.902 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.414 17.297 -16.606 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.311 14.883 -18.668 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.969 19.226 -18.064 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.949 16.830 -20.065 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.528 18.944 -20.601 1.00 0.00 H new ATOM 538 N TYR A 34 -6.157 15.249 -14.918 1.00 0.00 N ATOM 539 CA TYR A 34 -7.411 15.954 -14.701 1.00 0.00 C ATOM 540 C TYR A 34 -7.535 16.380 -13.237 1.00 0.00 C ATOM 541 O TYR A 34 -7.946 17.507 -12.963 1.00 0.00 O ATOM 542 CB TYR A 34 -8.600 15.060 -15.086 1.00 0.00 C ATOM 543 CG TYR A 34 -8.708 14.573 -16.527 1.00 0.00 C ATOM 544 CD1 TYR A 34 -7.969 15.146 -17.587 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.597 13.514 -16.800 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.134 14.669 -18.901 1.00 0.00 C ATOM 547 CE2 TYR A 34 -9.760 13.029 -18.110 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.030 13.610 -19.170 1.00 0.00 C ATOM 549 OH TYR A 34 -9.175 13.159 -20.448 1.00 0.00 O ATOM 0 H TYR A 34 -6.270 14.265 -15.162 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.419 16.844 -15.330 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.577 14.182 -14.440 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.514 15.605 -14.851 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.277 15.951 -17.388 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.160 13.069 -15.993 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.572 15.115 -19.708 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.442 12.214 -18.305 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.827 12.427 -20.465 1.00 0.00 H new ATOM 559 N TYR A 35 -7.173 15.502 -12.295 1.00 0.00 N ATOM 560 CA TYR A 35 -7.257 15.797 -10.872 1.00 0.00 C ATOM 561 C TYR A 35 -6.340 16.971 -10.513 1.00 0.00 C ATOM 562 O TYR A 35 -6.768 17.914 -9.842 1.00 0.00 O ATOM 563 CB TYR A 35 -6.905 14.533 -10.077 1.00 0.00 C ATOM 564 CG TYR A 35 -6.911 14.728 -8.573 1.00 0.00 C ATOM 565 CD1 TYR A 35 -8.122 14.965 -7.896 1.00 0.00 C ATOM 566 CD2 TYR A 35 -5.702 14.687 -7.853 1.00 0.00 C ATOM 567 CE1 TYR A 35 -8.124 15.176 -6.506 1.00 0.00 C ATOM 568 CE2 TYR A 35 -5.694 14.904 -6.464 1.00 0.00 C ATOM 569 CZ TYR A 35 -6.909 15.153 -5.783 1.00 0.00 C ATOM 570 OH TYR A 35 -6.920 15.368 -4.437 1.00 0.00 O ATOM 0 H TYR A 35 -6.815 14.570 -12.504 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.273 16.096 -10.614 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.614 13.746 -10.334 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.918 14.186 -10.384 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.052 14.985 -8.445 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.775 14.488 -8.371 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.055 15.356 -5.989 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.762 14.881 -5.918 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.005 15.318 -4.090 1.00 0.00 H new ATOM 580 N LEU A 36 -5.092 16.952 -10.988 1.00 0.00 N ATOM 581 CA LEU A 36 -4.131 18.014 -10.719 1.00 0.00 C ATOM 582 C LEU A 36 -4.586 19.307 -11.386 1.00 0.00 C ATOM 583 O LEU A 36 -4.578 20.344 -10.728 1.00 0.00 O ATOM 584 CB LEU A 36 -2.726 17.599 -11.191 1.00 0.00 C ATOM 585 CG LEU A 36 -1.842 16.993 -10.080 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.509 15.877 -9.268 1.00 0.00 C ATOM 587 CD2 LEU A 36 -0.571 16.429 -10.719 1.00 0.00 C ATOM 0 H LEU A 36 -4.724 16.199 -11.569 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.079 18.188 -9.644 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.825 16.873 -11.998 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.222 18.471 -11.607 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.638 17.804 -9.380 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.814 15.512 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.404 16.266 -8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.784 15.058 -9.933 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.064 15.997 -9.946 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.838 15.658 -11.442 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.032 17.230 -11.226 1.00 0.00 H new ATOM 599 N ASP A 37 -5.045 19.264 -12.638 1.00 0.00 N ATOM 600 CA ASP A 37 -5.529 20.451 -13.339 1.00 0.00 C ATOM 601 C ASP A 37 -6.723 21.085 -12.622 1.00 0.00 C ATOM 602 O ASP A 37 -6.860 22.309 -12.615 1.00 0.00 O ATOM 603 CB ASP A 37 -5.909 20.107 -14.783 1.00 0.00 C ATOM 604 CG ASP A 37 -6.480 21.336 -15.509 1.00 0.00 C ATOM 605 OD1 ASP A 37 -5.705 22.260 -15.843 1.00 0.00 O ATOM 606 OD2 ASP A 37 -7.701 21.367 -15.783 1.00 0.00 O ATOM 0 H ASP A 37 -5.091 18.408 -13.191 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.716 21.177 -13.346 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.032 19.740 -15.316 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.645 19.303 -14.788 1.00 0.00 H new ATOM 611 N ASP A 38 -7.566 20.270 -11.983 1.00 0.00 N ATOM 612 CA ASP A 38 -8.715 20.750 -11.216 1.00 0.00 C ATOM 613 C ASP A 38 -8.304 21.312 -9.849 1.00 0.00 C ATOM 614 O ASP A 38 -9.015 22.149 -9.289 1.00 0.00 O ATOM 615 CB ASP A 38 -9.724 19.610 -11.025 1.00 0.00 C ATOM 616 CG ASP A 38 -10.965 20.076 -10.245 1.00 0.00 C ATOM 617 OD1 ASP A 38 -11.769 20.863 -10.795 1.00 0.00 O ATOM 618 OD2 ASP A 38 -11.174 19.622 -9.098 1.00 0.00 O ATOM 0 H ASP A 38 -7.469 19.255 -11.984 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.171 21.562 -11.782 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -10.029 19.226 -11.999 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.247 18.787 -10.493 1.00 0.00 H new ATOM 623 N THR A 39 -7.159 20.882 -9.312 1.00 0.00 N ATOM 624 CA THR A 39 -6.765 21.178 -7.937 1.00 0.00 C ATOM 625 C THR A 39 -5.794 22.363 -7.862 1.00 0.00 C ATOM 626 O THR A 39 -5.942 23.228 -6.998 1.00 0.00 O ATOM 627 CB THR A 39 -6.132 19.914 -7.328 1.00 0.00 C ATOM 628 OG1 THR A 39 -7.062 18.851 -7.328 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.649 20.156 -5.895 1.00 0.00 C ATOM 0 H THR A 39 -6.479 20.318 -9.822 1.00 0.00 H new ATOM 0 HA THR A 39 -7.650 21.465 -7.369 1.00 0.00 H new ATOM 0 HB THR A 39 -5.271 19.655 -7.944 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.969 18.335 -8.156 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.209 19.241 -5.500 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.901 20.949 -5.892 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.493 20.451 -5.271 1.00 0.00 H new ATOM 637 N LEU A 40 -4.784 22.381 -8.731 1.00 0.00 N ATOM 638 CA LEU A 40 -3.664 23.309 -8.661 1.00 0.00 C ATOM 639 C LEU A 40 -4.167 24.723 -8.982 1.00 0.00 C ATOM 640 O LEU A 40 -4.783 24.947 -10.027 1.00 0.00 O ATOM 641 CB LEU A 40 -2.573 22.853 -9.648 1.00 0.00 C ATOM 642 CG LEU A 40 -1.920 21.486 -9.329 1.00 0.00 C ATOM 643 CD1 LEU A 40 -1.135 20.961 -10.534 1.00 0.00 C ATOM 644 CD2 LEU A 40 -0.957 21.520 -8.146 1.00 0.00 C ATOM 0 H LEU A 40 -4.724 21.736 -9.519 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.231 23.322 -7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.007 22.805 -10.647 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.792 23.612 -9.676 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.757 20.834 -9.077 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.686 20.000 -10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.809 20.838 -11.382 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.350 21.671 -10.795 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.541 20.525 -7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.149 22.221 -8.354 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.491 21.838 -7.251 1.00 0.00 H new ATOM 656 N GLU A 41 -3.912 25.678 -8.087 1.00 0.00 N ATOM 657 CA GLU A 41 -4.426 27.048 -8.148 1.00 0.00 C ATOM 658 C GLU A 41 -3.538 27.911 -9.060 1.00 0.00 C ATOM 659 O GLU A 41 -2.901 28.869 -8.618 1.00 0.00 O ATOM 660 CB GLU A 41 -4.557 27.634 -6.726 1.00 0.00 C ATOM 661 CG GLU A 41 -5.648 26.968 -5.871 1.00 0.00 C ATOM 662 CD GLU A 41 -7.066 27.369 -6.321 1.00 0.00 C ATOM 663 OE1 GLU A 41 -7.650 26.709 -7.209 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.622 28.351 -5.778 1.00 0.00 O ATOM 0 H GLU A 41 -3.322 25.514 -7.271 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.424 27.042 -8.586 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.599 27.536 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.770 28.700 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.543 25.885 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.508 27.245 -4.826 1.00 0.00 H new ATOM 671 N PHE A 42 -3.442 27.539 -10.338 1.00 0.00 N ATOM 672 CA PHE A 42 -2.691 28.296 -11.335 1.00 0.00 C ATOM 673 C PHE A 42 -3.291 29.695 -11.578 1.00 0.00 C ATOM 674 O PHE A 42 -4.500 29.875 -11.386 1.00 0.00 O ATOM 675 CB PHE A 42 -2.699 27.548 -12.670 1.00 0.00 C ATOM 676 CG PHE A 42 -2.208 26.121 -12.627 1.00 0.00 C ATOM 677 CD1 PHE A 42 -0.878 25.856 -12.262 1.00 0.00 C ATOM 678 CD2 PHE A 42 -3.049 25.069 -13.030 1.00 0.00 C ATOM 679 CE1 PHE A 42 -0.363 24.554 -12.359 1.00 0.00 C ATOM 680 CE2 PHE A 42 -2.543 23.763 -13.101 1.00 0.00 C ATOM 681 CZ PHE A 42 -1.195 23.510 -12.788 1.00 0.00 C ATOM 0 H PHE A 42 -3.886 26.699 -10.710 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.678 28.407 -10.948 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.717 27.550 -13.060 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.084 28.103 -13.379 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.249 26.658 -11.905 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.080 25.266 -13.284 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.668 24.357 -12.105 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.189 22.950 -13.397 1.00 0.00 H new ATOM 0 HZ PHE A 42 -0.800 22.509 -12.878 1.00 0.00 H new ATOM 691 N PRO A 43 -2.501 30.668 -12.074 1.00 0.00 N ATOM 692 CA PRO A 43 -1.047 30.607 -12.214 1.00 0.00 C ATOM 693 C PRO A 43 -0.411 30.715 -10.822 1.00 0.00 C ATOM 694 O PRO A 43 -0.990 31.346 -9.932 1.00 0.00 O ATOM 695 CB PRO A 43 -0.680 31.805 -13.098 1.00 0.00 C ATOM 696 CG PRO A 43 -1.770 32.830 -12.788 1.00 0.00 C ATOM 697 CD PRO A 43 -3.000 31.964 -12.516 1.00 0.00 C ATOM 0 HA PRO A 43 -0.692 29.677 -12.658 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.311 32.190 -12.859 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.672 31.536 -14.154 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.511 33.444 -11.925 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.933 33.509 -13.625 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.633 32.417 -11.753 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.608 31.860 -13.415 1.00 0.00 H new ATOM 705 N PHE A 44 0.772 30.126 -10.618 1.00 0.00 N ATOM 706 CA PHE A 44 1.474 30.267 -9.337 1.00 0.00 C ATOM 707 C PHE A 44 2.978 30.394 -9.548 1.00 0.00 C ATOM 708 O PHE A 44 3.484 30.057 -10.612 1.00 0.00 O ATOM 709 CB PHE A 44 1.093 29.133 -8.365 1.00 0.00 C ATOM 710 CG PHE A 44 1.499 27.713 -8.732 1.00 0.00 C ATOM 711 CD1 PHE A 44 2.845 27.320 -8.631 1.00 0.00 C ATOM 712 CD2 PHE A 44 0.531 26.749 -9.074 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.237 25.998 -8.882 1.00 0.00 C ATOM 714 CE2 PHE A 44 0.918 25.417 -9.315 1.00 0.00 C ATOM 715 CZ PHE A 44 2.270 25.039 -9.224 1.00 0.00 C ATOM 0 H PHE A 44 1.258 29.556 -11.311 1.00 0.00 H new ATOM 0 HA PHE A 44 1.150 31.195 -8.865 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.529 29.365 -7.393 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.010 29.149 -8.240 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.591 28.051 -8.355 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.508 27.032 -9.151 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.278 25.718 -8.813 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.171 24.680 -9.572 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.562 24.017 -9.416 1.00 0.00 H new ATOM 725 N MET A 45 3.712 30.885 -8.552 1.00 0.00 N ATOM 726 CA MET A 45 5.165 31.005 -8.638 1.00 0.00 C ATOM 727 C MET A 45 5.790 29.714 -8.115 1.00 0.00 C ATOM 728 O MET A 45 5.287 29.140 -7.148 1.00 0.00 O ATOM 729 CB MET A 45 5.605 32.209 -7.789 1.00 0.00 C ATOM 730 CG MET A 45 7.117 32.438 -7.830 1.00 0.00 C ATOM 731 SD MET A 45 7.686 33.768 -6.744 1.00 0.00 S ATOM 732 CE MET A 45 9.459 33.609 -7.062 1.00 0.00 C ATOM 0 H MET A 45 3.319 31.209 -7.668 1.00 0.00 H new ATOM 0 HA MET A 45 5.488 31.161 -9.667 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.096 33.105 -8.145 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.293 32.054 -6.756 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.622 31.513 -7.551 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.412 32.667 -8.854 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.015 34.168 -6.309 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.744 32.558 -7.018 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.688 34.006 -8.051 1.00 0.00 H new ATOM 742 N GLY A 46 6.907 29.267 -8.685 1.00 0.00 N ATOM 743 CA GLY A 46 7.617 28.112 -8.178 1.00 0.00 C ATOM 744 C GLY A 46 9.085 28.165 -8.549 1.00 0.00 C ATOM 745 O GLY A 46 9.526 29.001 -9.339 1.00 0.00 O ATOM 0 H GLY A 46 7.337 29.696 -9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.515 28.066 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.170 27.202 -8.579 1.00 0.00 H new ATOM 749 N LYS A 47 9.854 27.263 -7.956 1.00 0.00 N ATOM 750 CA LYS A 47 11.228 27.024 -8.358 1.00 0.00 C ATOM 751 C LYS A 47 11.210 25.805 -9.271 1.00 0.00 C ATOM 752 O LYS A 47 10.698 24.755 -8.877 1.00 0.00 O ATOM 753 CB LYS A 47 12.110 26.783 -7.118 1.00 0.00 C ATOM 754 CG LYS A 47 13.603 26.894 -7.459 1.00 0.00 C ATOM 755 CD LYS A 47 14.087 28.341 -7.641 1.00 0.00 C ATOM 756 CE LYS A 47 14.197 29.095 -6.309 1.00 0.00 C ATOM 757 NZ LYS A 47 15.146 30.225 -6.416 1.00 0.00 N ATOM 0 H LYS A 47 9.540 26.677 -7.182 1.00 0.00 H new ATOM 0 HA LYS A 47 11.647 27.883 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.858 27.508 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.902 25.794 -6.709 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.184 26.422 -6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.800 26.336 -8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.059 28.336 -8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.399 28.871 -8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.215 29.467 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.526 28.412 -5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.078 30.818 -5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.115 29.857 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.914 30.795 -7.254 1.00 0.00 H new ATOM 771 N TRP A 48 11.737 25.938 -10.484 1.00 0.00 N ATOM 772 CA TRP A 48 11.986 24.805 -11.355 1.00 0.00 C ATOM 773 C TRP A 48 13.338 24.266 -10.904 1.00 0.00 C ATOM 774 O TRP A 48 14.371 24.864 -11.194 1.00 0.00 O ATOM 775 CB TRP A 48 11.987 25.233 -12.832 1.00 0.00 C ATOM 776 CG TRP A 48 12.178 24.143 -13.849 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.300 22.818 -13.599 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.241 24.264 -15.305 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.466 22.123 -14.776 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.428 22.964 -15.867 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.129 25.342 -16.209 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.500 22.750 -17.252 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.186 25.137 -17.601 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.373 23.844 -18.124 1.00 0.00 C ATOM 0 H TRP A 48 12.002 26.837 -10.887 1.00 0.00 H new ATOM 0 HA TRP A 48 11.211 24.042 -11.286 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.042 25.733 -13.042 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.776 25.972 -12.972 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.271 22.370 -12.617 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.600 21.113 -14.833 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.997 26.343 -15.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.651 21.755 -17.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.086 25.978 -18.272 1.00 0.00 H new ATOM 0 HH2 TRP A 48 12.419 23.693 -19.192 1.00 0.00 H new ATOM 795 N LYS A 49 13.335 23.174 -10.146 1.00 0.00 N ATOM 796 CA LYS A 49 14.514 22.493 -9.625 1.00 0.00 C ATOM 797 C LYS A 49 14.834 21.370 -10.620 1.00 0.00 C ATOM 798 O LYS A 49 14.594 20.191 -10.354 1.00 0.00 O ATOM 799 CB LYS A 49 14.201 22.001 -8.199 1.00 0.00 C ATOM 800 CG LYS A 49 14.134 23.187 -7.219 1.00 0.00 C ATOM 801 CD LYS A 49 13.647 22.823 -5.810 1.00 0.00 C ATOM 802 CE LYS A 49 14.489 21.731 -5.136 1.00 0.00 C ATOM 803 NZ LYS A 49 14.156 21.590 -3.697 1.00 0.00 N ATOM 0 H LYS A 49 12.467 22.718 -9.865 1.00 0.00 H new ATOM 0 HA LYS A 49 15.393 23.132 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.253 21.464 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.968 21.297 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.125 23.635 -7.143 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.472 23.947 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.660 23.717 -5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.611 22.489 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.324 20.780 -5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.547 21.970 -5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.281 20.599 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.785 22.197 -3.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.168 21.875 -3.540 1.00 0.00 H new ATOM 817 N LYS A 50 15.262 21.778 -11.817 1.00 0.00 N ATOM 818 CA LYS A 50 15.546 20.911 -12.956 1.00 0.00 C ATOM 819 C LYS A 50 16.473 19.788 -12.503 1.00 0.00 C ATOM 820 O LYS A 50 17.570 20.050 -12.006 1.00 0.00 O ATOM 821 CB LYS A 50 16.166 21.731 -14.102 1.00 0.00 C ATOM 822 CG LYS A 50 16.620 20.872 -15.297 1.00 0.00 C ATOM 823 CD LYS A 50 15.467 20.256 -16.104 1.00 0.00 C ATOM 824 CE LYS A 50 15.976 19.269 -17.168 1.00 0.00 C ATOM 825 NZ LYS A 50 16.763 19.919 -18.249 1.00 0.00 N ATOM 0 H LYS A 50 15.426 22.763 -12.025 1.00 0.00 H new ATOM 0 HA LYS A 50 14.623 20.470 -13.333 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.438 22.465 -14.448 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.022 22.287 -13.719 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.226 21.487 -15.962 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.261 20.070 -14.931 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.785 19.741 -15.428 1.00 0.00 H new ATOM 0 HD3 LYS A 50 14.898 21.050 -16.588 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.593 18.512 -16.685 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.124 18.752 -17.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.075 19.199 -18.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 16.171 20.623 -18.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 17.594 20.390 -17.838 1.00 0.00 H new ATOM 839 N LYS A 51 16.036 18.545 -12.677 1.00 0.00 N ATOM 840 CA LYS A 51 16.751 17.357 -12.235 1.00 0.00 C ATOM 841 C LYS A 51 17.711 16.896 -13.332 1.00 0.00 C ATOM 842 O LYS A 51 17.664 17.393 -14.461 1.00 0.00 O ATOM 843 CB LYS A 51 15.680 16.304 -11.875 1.00 0.00 C ATOM 844 CG LYS A 51 16.152 15.208 -10.907 1.00 0.00 C ATOM 845 CD LYS A 51 15.031 14.238 -10.494 1.00 0.00 C ATOM 846 CE LYS A 51 13.861 14.898 -9.735 1.00 0.00 C ATOM 847 NZ LYS A 51 12.642 15.076 -10.566 1.00 0.00 N ATOM 0 H LYS A 51 15.153 18.333 -13.141 1.00 0.00 H new ATOM 0 HA LYS A 51 17.371 17.543 -11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.823 16.814 -11.434 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.332 15.832 -12.794 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.958 14.643 -11.374 1.00 0.00 H new ATOM 0 HG3 LYS A 51 16.566 15.675 -10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 51 14.640 13.753 -11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.458 13.455 -9.868 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.613 14.289 -8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.182 15.871 -9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.896 15.524 -9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.864 15.680 -11.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.312 14.149 -10.901 1.00 0.00 H new ATOM 861 N SER A 52 18.557 15.920 -13.005 1.00 0.00 N ATOM 862 CA SER A 52 19.536 15.331 -13.912 1.00 0.00 C ATOM 863 C SER A 52 20.507 16.384 -14.469 1.00 0.00 C ATOM 864 O SER A 52 20.905 16.325 -15.634 1.00 0.00 O ATOM 865 CB SER A 52 18.823 14.482 -14.978 1.00 0.00 C ATOM 866 OG SER A 52 17.921 13.575 -14.358 1.00 0.00 O ATOM 0 H SER A 52 18.579 15.506 -12.073 1.00 0.00 H new ATOM 0 HA SER A 52 20.178 14.646 -13.358 1.00 0.00 H new ATOM 0 HB2 SER A 52 18.282 15.130 -15.668 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.557 13.932 -15.566 1.00 0.00 H new ATOM 0 HG SER A 52 17.471 13.040 -15.045 1.00 0.00 H new ATOM 872 N ARG A 53 20.911 17.343 -13.621 1.00 0.00 N ATOM 873 CA ARG A 53 21.953 18.325 -13.939 1.00 0.00 C ATOM 874 C ARG A 53 23.233 17.628 -14.417 1.00 0.00 C ATOM 875 O ARG A 53 23.815 18.051 -15.417 1.00 0.00 O ATOM 876 CB ARG A 53 22.183 19.206 -12.699 1.00 0.00 C ATOM 877 CG ARG A 53 23.326 20.226 -12.818 1.00 0.00 C ATOM 878 CD ARG A 53 23.432 20.956 -11.476 1.00 0.00 C ATOM 879 NE ARG A 53 24.354 22.100 -11.499 1.00 0.00 N ATOM 880 CZ ARG A 53 24.382 23.065 -10.568 1.00 0.00 C ATOM 881 NH1 ARG A 53 23.540 23.040 -9.533 1.00 0.00 N ATOM 882 NH2 ARG A 53 25.258 24.058 -10.678 1.00 0.00 N ATOM 0 H ARG A 53 20.518 17.457 -12.687 1.00 0.00 H new ATOM 0 HA ARG A 53 21.636 18.964 -14.763 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.260 19.744 -12.480 1.00 0.00 H new ATOM 0 HB3 ARG A 53 22.384 18.558 -11.846 1.00 0.00 H new ATOM 0 HG2 ARG A 53 24.264 19.725 -13.057 1.00 0.00 H new ATOM 0 HG3 ARG A 53 23.127 20.932 -13.624 1.00 0.00 H new ATOM 0 HD2 ARG A 53 22.442 21.304 -11.182 1.00 0.00 H new ATOM 0 HD3 ARG A 53 23.761 20.250 -10.713 1.00 0.00 H new ATOM 0 HE ARG A 53 25.015 22.164 -12.273 1.00 0.00 H new ATOM 0 HH11 ARG A 53 22.865 22.281 -9.443 1.00 0.00 H new ATOM 0 HH12 ARG A 53 23.572 23.780 -8.832 1.00 0.00 H new ATOM 0 HH21 ARG A 53 25.904 24.083 -11.467 1.00 0.00 H new ATOM 0 HH22 ARG A 53 25.285 24.795 -9.973 1.00 0.00 H new ATOM 896 N LYS A 54 23.648 16.550 -13.740 1.00 0.00 N ATOM 897 CA LYS A 54 24.774 15.705 -14.150 1.00 0.00 C ATOM 898 C LYS A 54 24.559 14.258 -13.700 1.00 0.00 C ATOM 899 O LYS A 54 24.696 13.350 -14.520 1.00 0.00 O ATOM 900 CB LYS A 54 26.083 16.279 -13.573 1.00 0.00 C ATOM 901 CG LYS A 54 27.326 15.601 -14.169 1.00 0.00 C ATOM 902 CD LYS A 54 28.612 16.189 -13.574 1.00 0.00 C ATOM 903 CE LYS A 54 29.838 15.489 -14.177 1.00 0.00 C ATOM 904 NZ LYS A 54 31.113 16.022 -13.635 1.00 0.00 N ATOM 0 H LYS A 54 23.203 16.236 -12.878 1.00 0.00 H new ATOM 0 HA LYS A 54 24.842 15.701 -15.238 1.00 0.00 H new ATOM 0 HB2 LYS A 54 26.126 17.350 -13.770 1.00 0.00 H new ATOM 0 HB3 LYS A 54 26.087 16.153 -12.490 1.00 0.00 H new ATOM 0 HG2 LYS A 54 27.288 14.529 -13.975 1.00 0.00 H new ATOM 0 HG3 LYS A 54 27.330 15.729 -15.251 1.00 0.00 H new ATOM 0 HD2 LYS A 54 28.659 17.259 -13.775 1.00 0.00 H new ATOM 0 HD3 LYS A 54 28.610 16.068 -12.491 1.00 0.00 H new ATOM 0 HE2 LYS A 54 29.779 14.419 -13.976 1.00 0.00 H new ATOM 0 HE3 LYS A 54 29.827 15.610 -15.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 31.912 15.520 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 31.184 17.037 -13.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 31.137 15.883 -12.605 1.00 0.00 H new ATOM 918 N THR A 55 24.165 14.045 -12.441 1.00 0.00 N ATOM 919 CA THR A 55 24.125 12.723 -11.814 1.00 0.00 C ATOM 920 C THR A 55 22.872 12.659 -10.928 1.00 0.00 C ATOM 921 O THR A 55 22.957 12.559 -9.703 1.00 0.00 O ATOM 922 CB THR A 55 25.452 12.475 -11.053 1.00 0.00 C ATOM 923 OG1 THR A 55 26.569 12.908 -11.815 1.00 0.00 O ATOM 924 CG2 THR A 55 25.656 10.989 -10.734 1.00 0.00 C ATOM 0 H THR A 55 23.861 14.796 -11.822 1.00 0.00 H new ATOM 0 HA THR A 55 24.047 11.920 -12.546 1.00 0.00 H new ATOM 0 HB THR A 55 25.380 13.045 -10.126 1.00 0.00 H new ATOM 0 HG1 THR A 55 27.393 12.741 -11.311 1.00 0.00 H new ATOM 0 HG21 THR A 55 26.597 10.857 -10.200 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.834 10.634 -10.113 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.682 10.418 -11.662 1.00 0.00 H new ATOM 932 N SER A 56 21.696 12.838 -11.549 1.00 0.00 N ATOM 933 CA SER A 56 20.404 13.028 -10.870 1.00 0.00 C ATOM 934 C SER A 56 20.393 14.268 -9.946 1.00 0.00 C ATOM 935 O SER A 56 19.494 14.428 -9.119 1.00 0.00 O ATOM 936 CB SER A 56 19.977 11.734 -10.153 1.00 0.00 C ATOM 937 OG SER A 56 20.077 10.612 -11.023 1.00 0.00 O ATOM 0 H SER A 56 21.615 12.855 -12.566 1.00 0.00 H new ATOM 0 HA SER A 56 19.653 13.240 -11.631 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.605 11.576 -9.276 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.951 11.833 -9.797 1.00 0.00 H new ATOM 0 HG SER A 56 19.802 9.802 -10.545 1.00 0.00 H new ATOM 943 N THR A 57 21.388 15.145 -10.090 1.00 0.00 N ATOM 944 CA THR A 57 21.579 16.380 -9.349 1.00 0.00 C ATOM 945 C THR A 57 20.567 17.448 -9.798 1.00 0.00 C ATOM 946 O THR A 57 19.828 17.249 -10.768 1.00 0.00 O ATOM 947 CB THR A 57 23.053 16.803 -9.534 1.00 0.00 C ATOM 948 OG1 THR A 57 23.525 16.495 -10.842 1.00 0.00 O ATOM 949 CG2 THR A 57 23.962 16.043 -8.567 1.00 0.00 C ATOM 0 H THR A 57 22.128 14.995 -10.775 1.00 0.00 H new ATOM 0 HA THR A 57 21.388 16.244 -8.284 1.00 0.00 H new ATOM 0 HB THR A 57 23.084 17.877 -9.353 1.00 0.00 H new ATOM 0 HG1 THR A 57 24.460 16.777 -10.927 1.00 0.00 H new ATOM 0 HG21 THR A 57 24.995 16.357 -8.716 1.00 0.00 H new ATOM 0 HG22 THR A 57 23.662 16.257 -7.541 1.00 0.00 H new ATOM 0 HG23 THR A 57 23.878 14.972 -8.754 1.00 0.00 H new ATOM 957 N ILE A 58 20.542 18.590 -9.107 1.00 0.00 N ATOM 958 CA ILE A 58 19.522 19.623 -9.246 1.00 0.00 C ATOM 959 C ILE A 58 20.221 20.915 -9.661 1.00 0.00 C ATOM 960 O ILE A 58 21.285 21.264 -9.141 1.00 0.00 O ATOM 961 CB ILE A 58 18.780 19.795 -7.895 1.00 0.00 C ATOM 962 CG1 ILE A 58 18.049 18.517 -7.416 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.799 20.982 -7.921 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.821 18.110 -8.238 1.00 0.00 C ATOM 0 H ILE A 58 21.254 18.825 -8.415 1.00 0.00 H new ATOM 0 HA ILE A 58 18.784 19.352 -10.001 1.00 0.00 H new ATOM 0 HB ILE A 58 19.569 20.002 -7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.759 17.690 -7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.739 18.663 -6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.302 21.065 -6.954 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.346 21.902 -8.127 1.00 0.00 H new ATOM 0 HG23 ILE A 58 17.053 20.821 -8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.386 17.204 -7.817 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.084 18.912 -8.212 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.119 17.924 -9.270 1.00 0.00 H new ATOM 976 N GLU A 59 19.594 21.632 -10.585 1.00 0.00 N ATOM 977 CA GLU A 59 19.914 22.989 -10.992 1.00 0.00 C ATOM 978 C GLU A 59 18.590 23.741 -10.812 1.00 0.00 C ATOM 979 O GLU A 59 17.530 23.118 -10.901 1.00 0.00 O ATOM 980 CB GLU A 59 20.375 22.997 -12.460 1.00 0.00 C ATOM 981 CG GLU A 59 21.152 24.272 -12.801 1.00 0.00 C ATOM 982 CD GLU A 59 21.597 24.292 -14.274 1.00 0.00 C ATOM 983 OE1 GLU A 59 20.791 24.671 -15.154 1.00 0.00 O ATOM 984 OE2 GLU A 59 22.767 23.956 -14.565 1.00 0.00 O ATOM 0 H GLU A 59 18.799 21.255 -11.101 1.00 0.00 H new ATOM 0 HA GLU A 59 20.723 23.441 -10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.003 22.126 -12.649 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.508 22.913 -13.115 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.529 25.143 -12.597 1.00 0.00 H new ATOM 0 HG3 GLU A 59 22.027 24.348 -12.156 1.00 0.00 H new ATOM 991 N GLU A 60 18.597 25.048 -10.550 1.00 0.00 N ATOM 992 CA GLU A 60 17.359 25.765 -10.260 1.00 0.00 C ATOM 993 C GLU A 60 17.189 27.009 -11.131 1.00 0.00 C ATOM 994 O GLU A 60 18.166 27.667 -11.502 1.00 0.00 O ATOM 995 CB GLU A 60 17.208 26.026 -8.757 1.00 0.00 C ATOM 996 CG GLU A 60 18.256 26.997 -8.225 1.00 0.00 C ATOM 997 CD GLU A 60 17.943 27.494 -6.804 1.00 0.00 C ATOM 998 OE1 GLU A 60 18.230 26.772 -5.822 1.00 0.00 O ATOM 999 OE2 GLU A 60 17.430 28.629 -6.665 1.00 0.00 O ATOM 0 H GLU A 60 19.438 25.625 -10.533 1.00 0.00 H new ATOM 0 HA GLU A 60 16.525 25.120 -10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.213 26.426 -8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.285 25.082 -8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 60 19.231 26.509 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.326 27.853 -8.897 1.00 0.00 H new ATOM 1006 N LYS A 61 15.928 27.339 -11.422 1.00 0.00 N ATOM 1007 CA LYS A 61 15.490 28.578 -12.058 1.00 0.00 C ATOM 1008 C LYS A 61 14.217 28.994 -11.329 1.00 0.00 C ATOM 1009 O LYS A 61 13.467 28.129 -10.870 1.00 0.00 O ATOM 1010 CB LYS A 61 15.201 28.344 -13.555 1.00 0.00 C ATOM 1011 CG LYS A 61 16.476 28.060 -14.368 1.00 0.00 C ATOM 1012 CD LYS A 61 16.206 27.799 -15.857 1.00 0.00 C ATOM 1013 CE LYS A 61 15.469 26.467 -16.077 1.00 0.00 C ATOM 1014 NZ LYS A 61 15.338 26.126 -17.516 1.00 0.00 N ATOM 0 H LYS A 61 15.149 26.717 -11.209 1.00 0.00 H new ATOM 0 HA LYS A 61 16.257 29.350 -11.998 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.513 27.505 -13.661 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.701 29.221 -13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.155 28.908 -14.273 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.984 27.195 -13.942 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.612 28.616 -16.268 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.150 27.787 -16.401 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.005 25.669 -15.564 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.477 26.525 -15.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.369 25.801 -17.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.542 26.967 -18.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.011 25.370 -17.756 1.00 0.00 H new ATOM 1028 N THR A 62 13.949 30.289 -11.220 1.00 0.00 N ATOM 1029 CA THR A 62 12.772 30.793 -10.520 1.00 0.00 C ATOM 1030 C THR A 62 11.751 31.139 -11.601 1.00 0.00 C ATOM 1031 O THR A 62 12.070 31.883 -12.533 1.00 0.00 O ATOM 1032 CB THR A 62 13.188 31.963 -9.616 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.320 31.592 -8.841 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.075 32.328 -8.641 1.00 0.00 C ATOM 0 H THR A 62 14.541 31.020 -11.614 1.00 0.00 H new ATOM 0 HA THR A 62 12.312 30.070 -9.846 1.00 0.00 H new ATOM 0 HB THR A 62 13.410 32.812 -10.263 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.680 32.383 -8.389 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.398 33.159 -8.014 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.184 32.619 -9.198 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.845 31.468 -8.012 1.00 0.00 H new ATOM 1042 N VAL A 63 10.536 30.592 -11.512 1.00 0.00 N ATOM 1043 CA VAL A 63 9.573 30.655 -12.600 1.00 0.00 C ATOM 1044 C VAL A 63 8.166 30.982 -12.103 1.00 0.00 C ATOM 1045 O VAL A 63 7.814 30.772 -10.942 1.00 0.00 O ATOM 1046 CB VAL A 63 9.591 29.326 -13.398 1.00 0.00 C ATOM 1047 CG1 VAL A 63 10.977 28.970 -13.960 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.100 28.112 -12.592 1.00 0.00 C ATOM 0 H VAL A 63 10.199 30.097 -10.686 1.00 0.00 H new ATOM 0 HA VAL A 63 9.866 31.469 -13.263 1.00 0.00 H new ATOM 0 HB VAL A 63 8.898 29.525 -14.216 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.917 28.029 -14.507 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.311 29.760 -14.633 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.687 28.868 -13.139 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.141 27.220 -13.217 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.737 27.973 -11.719 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.073 28.281 -12.269 1.00 0.00 H new ATOM 1058 N GLU A 64 7.349 31.484 -13.017 1.00 0.00 N ATOM 1059 CA GLU A 64 5.916 31.664 -12.850 1.00 0.00 C ATOM 1060 C GLU A 64 5.278 30.593 -13.732 1.00 0.00 C ATOM 1061 O GLU A 64 5.526 30.564 -14.937 1.00 0.00 O ATOM 1062 CB GLU A 64 5.506 33.088 -13.258 1.00 0.00 C ATOM 1063 CG GLU A 64 4.001 33.312 -13.059 1.00 0.00 C ATOM 1064 CD GLU A 64 3.610 34.778 -13.318 1.00 0.00 C ATOM 1065 OE1 GLU A 64 3.389 35.161 -14.489 1.00 0.00 O ATOM 1066 OE2 GLU A 64 3.504 35.562 -12.347 1.00 0.00 O ATOM 0 H GLU A 64 7.681 31.789 -13.932 1.00 0.00 H new ATOM 0 HA GLU A 64 5.591 31.555 -11.815 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.065 33.813 -12.667 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.767 33.259 -14.303 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.443 32.661 -13.732 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.722 33.034 -12.043 1.00 0.00 H new ATOM 1073 N VAL A 65 4.524 29.672 -13.141 1.00 0.00 N ATOM 1074 CA VAL A 65 3.834 28.620 -13.873 1.00 0.00 C ATOM 1075 C VAL A 65 2.497 29.172 -14.367 1.00 0.00 C ATOM 1076 O VAL A 65 1.792 29.859 -13.620 1.00 0.00 O ATOM 1077 CB VAL A 65 3.699 27.318 -13.049 1.00 0.00 C ATOM 1078 CG1 VAL A 65 4.925 27.022 -12.165 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.428 27.190 -12.215 1.00 0.00 C ATOM 0 H VAL A 65 4.375 29.636 -12.133 1.00 0.00 H new ATOM 0 HA VAL A 65 4.427 28.326 -14.739 1.00 0.00 H new ATOM 0 HB VAL A 65 3.632 26.564 -13.833 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.762 26.095 -11.615 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.810 26.921 -12.793 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.072 27.841 -11.460 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.438 26.241 -11.679 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.379 28.010 -11.499 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.558 27.227 -12.870 1.00 0.00 H new ATOM 1089 N LEU A 66 2.134 28.859 -15.611 1.00 0.00 N ATOM 1090 CA LEU A 66 0.932 29.393 -16.244 1.00 0.00 C ATOM 1091 C LEU A 66 -0.230 28.399 -16.166 1.00 0.00 C ATOM 1092 O LEU A 66 -1.385 28.814 -16.263 1.00 0.00 O ATOM 1093 CB LEU A 66 1.200 29.762 -17.719 1.00 0.00 C ATOM 1094 CG LEU A 66 2.269 30.838 -18.015 1.00 0.00 C ATOM 1095 CD1 LEU A 66 2.201 32.037 -17.060 1.00 0.00 C ATOM 1096 CD2 LEU A 66 3.694 30.274 -18.023 1.00 0.00 C ATOM 0 H LEU A 66 2.667 28.227 -16.208 1.00 0.00 H new ATOM 0 HA LEU A 66 0.655 30.294 -15.697 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.489 28.851 -18.244 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.259 30.097 -18.156 1.00 0.00 H new ATOM 0 HG LEU A 66 2.029 31.189 -19.019 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.978 32.755 -17.322 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.224 32.513 -17.143 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.353 31.696 -16.036 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.401 31.075 -18.236 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.919 29.841 -17.048 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.776 29.504 -18.790 1.00 0.00 H new ATOM 1108 N GLY A 67 0.050 27.103 -16.003 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.933 26.037 -16.065 1.00 0.00 C ATOM 1110 C GLY A 67 -0.223 24.733 -16.406 1.00 0.00 C ATOM 1111 O GLY A 67 0.979 24.728 -16.692 1.00 0.00 O ATOM 0 H GLY A 67 0.995 26.765 -15.820 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.451 25.946 -15.111 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.688 26.263 -16.818 1.00 0.00 H new ATOM 1115 N MET A 68 -0.959 23.624 -16.388 1.00 0.00 N ATOM 1116 CA MET A 68 -0.450 22.355 -16.905 1.00 0.00 C ATOM 1117 C MET A 68 -0.223 22.458 -18.413 1.00 0.00 C ATOM 1118 O MET A 68 -0.880 23.239 -19.109 1.00 0.00 O ATOM 1119 CB MET A 68 -1.362 21.164 -16.573 1.00 0.00 C ATOM 1120 CG MET A 68 -1.394 20.917 -15.065 1.00 0.00 C ATOM 1121 SD MET A 68 -2.152 19.371 -14.516 1.00 0.00 S ATOM 1122 CE MET A 68 -0.777 18.223 -14.764 1.00 0.00 C ATOM 0 H MET A 68 -1.910 23.578 -16.021 1.00 0.00 H new ATOM 0 HA MET A 68 0.500 22.163 -16.406 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.371 21.359 -16.937 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.005 20.271 -17.086 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.370 20.946 -14.693 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.927 21.744 -14.595 1.00 0.00 H new ATOM 0 HE1 MET A 68 -1.167 17.218 -14.925 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.198 18.532 -15.634 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.136 18.227 -13.882 1.00 0.00 H new ATOM 1132 N ALA A 69 0.706 21.643 -18.909 1.00 0.00 N ATOM 1133 CA ALA A 69 0.919 21.435 -20.335 1.00 0.00 C ATOM 1134 C ALA A 69 -0.322 20.767 -20.971 1.00 0.00 C ATOM 1135 O ALA A 69 -1.204 20.301 -20.240 1.00 0.00 O ATOM 1136 CB ALA A 69 2.171 20.570 -20.498 1.00 0.00 C ATOM 0 H ALA A 69 1.340 21.102 -18.321 1.00 0.00 H new ATOM 0 HA ALA A 69 1.064 22.386 -20.848 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.358 20.396 -21.558 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.027 21.082 -20.058 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.022 19.615 -19.994 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.409 20.690 -22.314 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.444 19.925 -23.001 1.00 0.00 C ATOM 1144 C PRO A 70 -1.545 18.478 -22.507 1.00 0.00 C ATOM 1145 O PRO A 70 -0.561 17.883 -22.054 1.00 0.00 O ATOM 1146 CB PRO A 70 -1.077 19.973 -24.488 1.00 0.00 C ATOM 1147 CG PRO A 70 -0.299 21.280 -24.613 1.00 0.00 C ATOM 1148 CD PRO A 70 0.452 21.348 -23.286 1.00 0.00 C ATOM 0 HA PRO A 70 -2.425 20.357 -22.804 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.472 19.115 -24.781 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.964 19.970 -25.122 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.382 21.267 -25.464 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.962 22.135 -24.748 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.418 20.847 -23.356 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.649 22.381 -22.999 1.00 0.00 H new ATOM 1156 N ASP A 71 -2.723 17.878 -22.681 1.00 0.00 N ATOM 1157 CA ASP A 71 -2.977 16.480 -22.338 1.00 0.00 C ATOM 1158 C ASP A 71 -2.011 15.534 -23.058 1.00 0.00 C ATOM 1159 O ASP A 71 -1.603 14.529 -22.485 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.434 16.096 -22.639 1.00 0.00 C ATOM 1161 CG ASP A 71 -4.682 15.739 -24.116 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -4.731 16.663 -24.958 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -4.867 14.544 -24.438 1.00 0.00 O ATOM 0 H ASP A 71 -3.537 18.356 -23.069 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.806 16.374 -21.267 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.714 15.246 -22.016 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.085 16.924 -22.359 1.00 0.00 H new ATOM 1168 N ASP A 72 -1.585 15.876 -24.278 1.00 0.00 N ATOM 1169 CA ASP A 72 -0.662 15.054 -25.060 1.00 0.00 C ATOM 1170 C ASP A 72 0.736 14.999 -24.433 1.00 0.00 C ATOM 1171 O ASP A 72 1.451 14.011 -24.600 1.00 0.00 O ATOM 1172 CB ASP A 72 -0.575 15.586 -26.493 1.00 0.00 C ATOM 1173 CG ASP A 72 0.336 14.703 -27.364 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -0.039 13.544 -27.654 1.00 0.00 O ATOM 1175 OD2 ASP A 72 1.403 15.179 -27.812 1.00 0.00 O ATOM 0 H ASP A 72 -1.872 16.733 -24.750 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.055 14.037 -25.069 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.573 15.625 -26.930 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.192 16.607 -26.482 1.00 0.00 H new ATOM 1180 N GLU A 73 1.122 16.030 -23.674 1.00 0.00 N ATOM 1181 CA GLU A 73 2.345 16.008 -22.876 1.00 0.00 C ATOM 1182 C GLU A 73 2.080 15.243 -21.577 1.00 0.00 C ATOM 1183 O GLU A 73 2.900 14.428 -21.153 1.00 0.00 O ATOM 1184 CB GLU A 73 2.810 17.438 -22.545 1.00 0.00 C ATOM 1185 CG GLU A 73 3.140 18.301 -23.773 1.00 0.00 C ATOM 1186 CD GLU A 73 4.239 17.697 -24.670 1.00 0.00 C ATOM 1187 OE1 GLU A 73 5.327 17.339 -24.164 1.00 0.00 O ATOM 1188 OE2 GLU A 73 4.043 17.614 -25.903 1.00 0.00 O ATOM 0 H GLU A 73 0.594 16.900 -23.598 1.00 0.00 H new ATOM 0 HA GLU A 73 3.130 15.516 -23.449 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.031 17.935 -21.966 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.693 17.381 -21.909 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.235 18.440 -24.364 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.457 19.289 -23.439 1.00 0.00 H new ATOM 1195 N CYS A 74 0.907 15.448 -20.968 1.00 0.00 N ATOM 1196 CA CYS A 74 0.567 14.910 -19.653 1.00 0.00 C ATOM 1197 C CYS A 74 0.203 13.415 -19.694 1.00 0.00 C ATOM 1198 O CYS A 74 -0.308 12.857 -18.724 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.530 15.759 -19.004 1.00 0.00 C ATOM 1200 SG CYS A 74 0.055 17.473 -18.835 1.00 0.00 S ATOM 0 H CYS A 74 0.158 16.001 -21.384 1.00 0.00 H new ATOM 0 HA CYS A 74 1.459 14.970 -19.030 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.435 15.730 -19.611 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.789 15.353 -18.026 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.019 18.072 -19.986 1.00 0.00 H new ATOM 1206 N LEU A 75 0.440 12.772 -20.836 1.00 0.00 N ATOM 1207 CA LEU A 75 0.131 11.384 -21.139 1.00 0.00 C ATOM 1208 C LEU A 75 1.161 10.429 -20.515 1.00 0.00 C ATOM 1209 O LEU A 75 0.883 9.238 -20.384 1.00 0.00 O ATOM 1210 CB LEU A 75 0.113 11.261 -22.678 1.00 0.00 C ATOM 1211 CG LEU A 75 -1.009 10.422 -23.309 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -0.931 8.933 -22.964 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -2.407 10.951 -22.975 1.00 0.00 C ATOM 0 H LEU A 75 0.883 13.243 -21.625 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.833 11.103 -20.716 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.057 12.266 -23.095 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.067 10.838 -22.993 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.844 10.524 -24.382 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.755 8.405 -23.444 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.016 8.527 -23.318 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.999 8.806 -21.884 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.158 10.318 -23.448 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.552 10.940 -21.895 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.508 11.972 -23.344 1.00 0.00 H new ATOM 1225 N LYS A 76 2.348 10.928 -20.139 1.00 0.00 N ATOM 1226 CA LYS A 76 3.486 10.096 -19.725 1.00 0.00 C ATOM 1227 C LYS A 76 4.117 10.557 -18.411 1.00 0.00 C ATOM 1228 O LYS A 76 4.672 9.729 -17.690 1.00 0.00 O ATOM 1229 CB LYS A 76 4.552 10.062 -20.836 1.00 0.00 C ATOM 1230 CG LYS A 76 4.049 9.386 -22.124 1.00 0.00 C ATOM 1231 CD LYS A 76 5.150 9.209 -23.182 1.00 0.00 C ATOM 1232 CE LYS A 76 5.671 10.555 -23.710 1.00 0.00 C ATOM 1233 NZ LYS A 76 6.693 10.382 -24.772 1.00 0.00 N ATOM 0 H LYS A 76 2.546 11.928 -20.114 1.00 0.00 H new ATOM 0 HA LYS A 76 3.094 9.093 -19.555 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.865 11.081 -21.064 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.432 9.532 -20.473 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.632 8.410 -21.876 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.239 9.981 -22.547 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.977 8.645 -22.752 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.761 8.621 -24.013 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.837 11.137 -24.102 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.099 11.126 -22.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.016 11.315 -25.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.501 9.849 -24.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.279 9.860 -25.571 1.00 0.00 H new ATOM 1247 N ASP A 77 4.023 11.843 -18.080 1.00 0.00 N ATOM 1248 CA ASP A 77 4.434 12.422 -16.798 1.00 0.00 C ATOM 1249 C ASP A 77 3.601 13.693 -16.616 1.00 0.00 C ATOM 1250 O ASP A 77 2.925 14.095 -17.564 1.00 0.00 O ATOM 1251 CB ASP A 77 5.941 12.737 -16.792 1.00 0.00 C ATOM 1252 CG ASP A 77 6.487 12.819 -15.362 1.00 0.00 C ATOM 1253 OD1 ASP A 77 6.438 11.782 -14.666 1.00 0.00 O ATOM 1254 OD2 ASP A 77 6.979 13.888 -14.942 1.00 0.00 O ATOM 0 H ASP A 77 3.644 12.540 -18.721 1.00 0.00 H new ATOM 0 HA ASP A 77 4.266 11.724 -15.978 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.478 11.966 -17.345 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.119 13.681 -17.306 1.00 0.00 H new ATOM 1259 N MET A 78 3.594 14.333 -15.447 1.00 0.00 N ATOM 1260 CA MET A 78 2.856 15.586 -15.265 1.00 0.00 C ATOM 1261 C MET A 78 3.765 16.744 -15.686 1.00 0.00 C ATOM 1262 O MET A 78 4.935 16.770 -15.300 1.00 0.00 O ATOM 1263 CB MET A 78 2.415 15.730 -13.801 1.00 0.00 C ATOM 1264 CG MET A 78 1.424 14.648 -13.349 1.00 0.00 C ATOM 1265 SD MET A 78 -0.194 14.618 -14.175 1.00 0.00 S ATOM 1266 CE MET A 78 0.073 13.314 -15.407 1.00 0.00 C ATOM 0 H MET A 78 4.087 14.008 -14.615 1.00 0.00 H new ATOM 0 HA MET A 78 1.956 15.591 -15.880 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.296 15.695 -13.160 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.958 16.710 -13.662 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.895 13.676 -13.491 1.00 0.00 H new ATOM 0 HG3 MET A 78 1.256 14.768 -12.279 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.889 12.967 -15.784 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.665 13.709 -16.233 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.604 12.481 -14.946 1.00 0.00 H new ATOM 1276 N TYR A 79 3.245 17.732 -16.424 1.00 0.00 N ATOM 1277 CA TYR A 79 4.030 18.846 -16.958 1.00 0.00 C ATOM 1278 C TYR A 79 3.259 20.157 -16.807 1.00 0.00 C ATOM 1279 O TYR A 79 2.028 20.160 -16.738 1.00 0.00 O ATOM 1280 CB TYR A 79 4.337 18.622 -18.449 1.00 0.00 C ATOM 1281 CG TYR A 79 5.288 17.497 -18.805 1.00 0.00 C ATOM 1282 CD1 TYR A 79 4.778 16.220 -19.097 1.00 0.00 C ATOM 1283 CD2 TYR A 79 6.666 17.749 -18.950 1.00 0.00 C ATOM 1284 CE1 TYR A 79 5.636 15.190 -19.516 1.00 0.00 C ATOM 1285 CE2 TYR A 79 7.530 16.726 -19.379 1.00 0.00 C ATOM 1286 CZ TYR A 79 7.021 15.436 -19.653 1.00 0.00 C ATOM 1287 OH TYR A 79 7.867 14.446 -20.056 1.00 0.00 O ATOM 0 H TYR A 79 2.256 17.779 -16.669 1.00 0.00 H new ATOM 0 HA TYR A 79 4.963 18.900 -16.397 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.393 18.440 -18.963 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.746 19.549 -18.851 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.719 16.030 -18.998 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.060 18.730 -18.731 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.237 14.210 -19.733 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.584 16.926 -19.499 1.00 0.00 H new ATOM 0 HH TYR A 79 8.782 14.794 -20.096 1.00 0.00 H new ATOM 1297 N VAL A 80 3.989 21.271 -16.812 1.00 0.00 N ATOM 1298 CA VAL A 80 3.473 22.616 -16.601 1.00 0.00 C ATOM 1299 C VAL A 80 4.214 23.573 -17.528 1.00 0.00 C ATOM 1300 O VAL A 80 5.413 23.413 -17.757 1.00 0.00 O ATOM 1301 CB VAL A 80 3.604 23.035 -15.117 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.492 22.429 -14.249 1.00 0.00 C ATOM 1303 CG2 VAL A 80 4.959 22.663 -14.486 1.00 0.00 C ATOM 0 H VAL A 80 4.997 21.257 -16.970 1.00 0.00 H new ATOM 0 HA VAL A 80 2.409 22.645 -16.838 1.00 0.00 H new ATOM 0 HB VAL A 80 3.519 24.122 -15.136 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.622 22.749 -13.215 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.522 22.766 -14.613 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.542 21.341 -14.301 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.977 22.988 -13.446 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.097 21.583 -14.531 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.763 23.155 -15.034 1.00 0.00 H new ATOM 1313 N GLU A 81 3.502 24.553 -18.078 1.00 0.00 N ATOM 1314 CA GLU A 81 4.102 25.649 -18.820 1.00 0.00 C ATOM 1315 C GLU A 81 4.605 26.656 -17.789 1.00 0.00 C ATOM 1316 O GLU A 81 3.887 26.965 -16.832 1.00 0.00 O ATOM 1317 CB GLU A 81 3.071 26.301 -19.752 1.00 0.00 C ATOM 1318 CG GLU A 81 2.628 25.350 -20.873 1.00 0.00 C ATOM 1319 CD GLU A 81 1.722 26.064 -21.892 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.504 26.210 -21.639 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.214 26.472 -22.968 1.00 0.00 O ATOM 0 H GLU A 81 2.485 24.606 -18.019 1.00 0.00 H new ATOM 0 HA GLU A 81 4.919 25.292 -19.447 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.201 26.608 -19.172 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.497 27.204 -20.190 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.506 24.951 -21.381 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.096 24.502 -20.443 1.00 0.00 H new ATOM 1328 N VAL A 82 5.818 27.174 -17.970 1.00 0.00 N ATOM 1329 CA VAL A 82 6.468 28.048 -16.998 1.00 0.00 C ATOM 1330 C VAL A 82 7.197 29.181 -17.724 1.00 0.00 C ATOM 1331 O VAL A 82 7.697 28.977 -18.828 1.00 0.00 O ATOM 1332 CB VAL A 82 7.404 27.232 -16.073 1.00 0.00 C ATOM 1333 CG1 VAL A 82 6.698 26.047 -15.395 1.00 0.00 C ATOM 1334 CG2 VAL A 82 8.660 26.685 -16.770 1.00 0.00 C ATOM 0 H VAL A 82 6.381 26.997 -18.802 1.00 0.00 H new ATOM 0 HA VAL A 82 5.715 28.504 -16.355 1.00 0.00 H new ATOM 0 HB VAL A 82 7.706 27.967 -15.326 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.407 25.516 -14.760 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.872 26.415 -14.787 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.313 25.369 -16.156 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.260 26.126 -16.052 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.365 26.026 -17.587 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.246 27.514 -17.166 1.00 0.00 H new ATOM 1344 N ALA A 83 7.298 30.358 -17.110 1.00 0.00 N ATOM 1345 CA ALA A 83 8.002 31.518 -17.640 1.00 0.00 C ATOM 1346 C ALA A 83 9.092 31.891 -16.644 1.00 0.00 C ATOM 1347 O ALA A 83 8.838 31.942 -15.439 1.00 0.00 O ATOM 1348 CB ALA A 83 7.024 32.679 -17.839 1.00 0.00 C ATOM 0 H ALA A 83 6.876 30.534 -16.198 1.00 0.00 H new ATOM 0 HA ALA A 83 8.446 31.292 -18.610 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.559 33.542 -18.235 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.244 32.382 -18.540 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.571 32.941 -16.883 1.00 0.00 H new ATOM 1354 N ASP A 84 10.309 32.118 -17.133 1.00 0.00 N ATOM 1355 CA ASP A 84 11.459 32.419 -16.286 1.00 0.00 C ATOM 1356 C ASP A 84 11.356 33.835 -15.726 1.00 0.00 C ATOM 1357 O ASP A 84 11.406 34.807 -16.481 1.00 0.00 O ATOM 1358 CB ASP A 84 12.763 32.255 -17.073 1.00 0.00 C ATOM 1359 CG ASP A 84 13.940 32.811 -16.270 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.186 32.326 -15.145 1.00 0.00 O ATOM 1361 OD2 ASP A 84 14.581 33.763 -16.763 1.00 0.00 O ATOM 0 H ASP A 84 10.525 32.098 -18.130 1.00 0.00 H new ATOM 0 HA ASP A 84 11.464 31.715 -15.454 1.00 0.00 H new ATOM 0 HB2 ASP A 84 12.931 31.201 -17.296 1.00 0.00 H new ATOM 0 HB3 ASP A 84 12.687 32.775 -18.028 1.00 0.00 H new ATOM 1366 N ILE A 85 11.231 33.952 -14.404 1.00 0.00 N ATOM 1367 CA ILE A 85 11.233 35.234 -13.703 1.00 0.00 C ATOM 1368 C ILE A 85 12.682 35.753 -13.616 1.00 0.00 C ATOM 1369 O ILE A 85 12.897 36.964 -13.550 1.00 0.00 O ATOM 1370 CB ILE A 85 10.584 35.081 -12.301 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.168 34.457 -12.360 1.00 0.00 C ATOM 1372 CG2 ILE A 85 10.468 36.435 -11.577 1.00 0.00 C ATOM 1373 CD1 ILE A 85 8.597 34.099 -10.979 1.00 0.00 C ATOM 0 H ILE A 85 11.124 33.149 -13.784 1.00 0.00 H new ATOM 0 HA ILE A 85 10.638 35.965 -14.251 1.00 0.00 H new ATOM 0 HB ILE A 85 11.249 34.413 -11.754 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.492 35.155 -12.854 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.201 33.557 -12.975 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.009 36.287 -10.599 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.461 36.866 -11.450 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.852 37.112 -12.168 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.603 33.667 -11.097 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.251 33.377 -10.491 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.531 34.999 -10.368 1.00 0.00 H new ATOM 1385 N GLY A 86 13.676 34.854 -13.619 1.00 0.00 N ATOM 1386 CA GLY A 86 15.074 35.176 -13.360 1.00 0.00 C ATOM 1387 C GLY A 86 15.650 36.207 -14.331 1.00 0.00 C ATOM 1388 O GLY A 86 16.447 37.051 -13.912 1.00 0.00 O ATOM 0 H GLY A 86 13.520 33.863 -13.806 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.169 35.554 -12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.666 34.263 -13.418 1.00 0.00 H new ATOM 1392 N GLY A 87 15.239 36.177 -15.602 1.00 0.00 N ATOM 1393 CA GLY A 87 15.790 37.041 -16.632 1.00 0.00 C ATOM 1394 C GLY A 87 14.908 37.196 -17.867 1.00 0.00 C ATOM 1395 O GLY A 87 14.757 38.322 -18.347 1.00 0.00 O ATOM 0 H GLY A 87 14.511 35.547 -15.940 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.970 38.027 -16.203 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.758 36.646 -16.940 1.00 0.00 H new ATOM 1399 N LYS A 88 14.334 36.110 -18.402 1.00 0.00 N ATOM 1400 CA LYS A 88 13.669 36.186 -19.709 1.00 0.00 C ATOM 1401 C LYS A 88 12.374 36.989 -19.630 1.00 0.00 C ATOM 1402 O LYS A 88 12.140 37.819 -20.506 1.00 0.00 O ATOM 1403 CB LYS A 88 13.422 34.801 -20.326 1.00 0.00 C ATOM 1404 CG LYS A 88 14.713 33.968 -20.408 1.00 0.00 C ATOM 1405 CD LYS A 88 14.573 32.734 -21.307 1.00 0.00 C ATOM 1406 CE LYS A 88 14.754 33.095 -22.789 1.00 0.00 C ATOM 1407 NZ LYS A 88 14.564 31.926 -23.679 1.00 0.00 N ATOM 0 H LYS A 88 14.316 35.190 -17.963 1.00 0.00 H new ATOM 0 HA LYS A 88 14.354 36.712 -20.374 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.682 34.266 -19.731 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.002 34.919 -21.325 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.521 34.596 -20.785 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.998 33.650 -19.405 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.313 31.987 -21.020 1.00 0.00 H new ATOM 0 HD3 LYS A 88 13.592 32.283 -21.158 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.043 33.875 -23.060 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.752 33.507 -22.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.150 32.039 -24.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.845 31.059 -23.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.563 31.858 -23.954 1.00 0.00 H new ATOM 1421 N ASP A 89 11.566 36.763 -18.589 1.00 0.00 N ATOM 1422 CA ASP A 89 10.324 37.459 -18.214 1.00 0.00 C ATOM 1423 C ASP A 89 9.177 37.438 -19.245 1.00 0.00 C ATOM 1424 O ASP A 89 8.019 37.619 -18.869 1.00 0.00 O ATOM 1425 CB ASP A 89 10.648 38.890 -17.759 1.00 0.00 C ATOM 1426 CG ASP A 89 9.410 39.624 -17.214 1.00 0.00 C ATOM 1427 OD1 ASP A 89 8.925 39.270 -16.116 1.00 0.00 O ATOM 1428 OD2 ASP A 89 8.953 40.601 -17.849 1.00 0.00 O ATOM 0 H ASP A 89 11.782 36.020 -17.924 1.00 0.00 H new ATOM 0 HA ASP A 89 9.915 36.874 -17.390 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.418 38.858 -16.988 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.060 39.451 -18.598 1.00 0.00 H new ATOM 1433 N ASP A 90 9.455 37.168 -20.522 1.00 0.00 N ATOM 1434 CA ASP A 90 8.522 37.317 -21.646 1.00 0.00 C ATOM 1435 C ASP A 90 8.671 36.156 -22.643 1.00 0.00 C ATOM 1436 O ASP A 90 8.355 36.270 -23.828 1.00 0.00 O ATOM 1437 CB ASP A 90 8.779 38.678 -22.308 1.00 0.00 C ATOM 1438 CG ASP A 90 7.732 39.039 -23.378 1.00 0.00 C ATOM 1439 OD1 ASP A 90 6.513 38.955 -23.104 1.00 0.00 O ATOM 1440 OD2 ASP A 90 8.121 39.479 -24.485 1.00 0.00 O ATOM 0 H ASP A 90 10.370 36.826 -20.815 1.00 0.00 H new ATOM 0 HA ASP A 90 7.493 37.283 -21.287 1.00 0.00 H new ATOM 0 HB2 ASP A 90 8.787 39.452 -21.541 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.769 38.672 -22.765 1.00 0.00 H new ATOM 1445 N ASP A 91 9.176 35.021 -22.160 1.00 0.00 N ATOM 1446 CA ASP A 91 9.295 33.765 -22.903 1.00 0.00 C ATOM 1447 C ASP A 91 8.861 32.614 -21.995 1.00 0.00 C ATOM 1448 O ASP A 91 8.894 32.751 -20.768 1.00 0.00 O ATOM 1449 CB ASP A 91 10.731 33.570 -23.405 1.00 0.00 C ATOM 1450 CG ASP A 91 10.877 32.272 -24.213 1.00 0.00 C ATOM 1451 OD1 ASP A 91 10.021 31.994 -25.084 1.00 0.00 O ATOM 1452 OD2 ASP A 91 11.863 31.540 -23.982 1.00 0.00 O ATOM 0 H ASP A 91 9.527 34.948 -21.205 1.00 0.00 H new ATOM 0 HA ASP A 91 8.648 33.790 -23.780 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.019 34.419 -24.025 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.414 33.549 -22.556 1.00 0.00 H new ATOM 1457 N VAL A 92 8.448 31.490 -22.584 1.00 0.00 N ATOM 1458 CA VAL A 92 7.798 30.388 -21.885 1.00 0.00 C ATOM 1459 C VAL A 92 8.456 29.067 -22.308 1.00 0.00 C ATOM 1460 O VAL A 92 8.865 28.893 -23.460 1.00 0.00 O ATOM 1461 CB VAL A 92 6.276 30.419 -22.178 1.00 0.00 C ATOM 1462 CG1 VAL A 92 5.484 29.389 -21.356 1.00 0.00 C ATOM 1463 CG2 VAL A 92 5.643 31.798 -21.909 1.00 0.00 C ATOM 0 H VAL A 92 8.560 31.320 -23.583 1.00 0.00 H new ATOM 0 HA VAL A 92 7.921 30.485 -20.806 1.00 0.00 H new ATOM 0 HB VAL A 92 6.210 30.177 -23.239 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.425 29.460 -21.606 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.844 28.386 -21.585 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.620 29.589 -20.293 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.577 31.759 -22.132 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.785 32.066 -20.862 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.119 32.547 -22.543 1.00 0.00 H new ATOM 1473 N TYR A 93 8.522 28.137 -21.359 1.00 0.00 N ATOM 1474 CA TYR A 93 9.048 26.787 -21.472 1.00 0.00 C ATOM 1475 C TYR A 93 7.999 25.808 -20.924 1.00 0.00 C ATOM 1476 O TYR A 93 6.941 26.216 -20.440 1.00 0.00 O ATOM 1477 CB TYR A 93 10.345 26.677 -20.644 1.00 0.00 C ATOM 1478 CG TYR A 93 11.529 27.525 -21.077 1.00 0.00 C ATOM 1479 CD1 TYR A 93 12.062 27.388 -22.374 1.00 0.00 C ATOM 1480 CD2 TYR A 93 12.172 28.363 -20.143 1.00 0.00 C ATOM 1481 CE1 TYR A 93 13.240 28.068 -22.732 1.00 0.00 C ATOM 1482 CE2 TYR A 93 13.361 29.032 -20.488 1.00 0.00 C ATOM 1483 CZ TYR A 93 13.908 28.874 -21.783 1.00 0.00 C ATOM 1484 OH TYR A 93 15.090 29.467 -22.117 1.00 0.00 O ATOM 0 H TYR A 93 8.181 28.327 -20.417 1.00 0.00 H new ATOM 0 HA TYR A 93 9.267 26.551 -22.513 1.00 0.00 H new ATOM 0 HB2 TYR A 93 10.107 26.934 -19.612 1.00 0.00 H new ATOM 0 HB3 TYR A 93 10.659 25.633 -20.649 1.00 0.00 H new ATOM 0 HD1 TYR A 93 11.564 26.758 -23.096 1.00 0.00 H new ATOM 0 HD2 TYR A 93 11.750 28.492 -19.157 1.00 0.00 H new ATOM 0 HE1 TYR A 93 13.634 27.974 -23.733 1.00 0.00 H new ATOM 0 HE2 TYR A 93 13.855 29.665 -19.766 1.00 0.00 H new ATOM 0 HH TYR A 93 15.326 29.230 -23.038 1.00 0.00 H new ATOM 1494 N THR A 94 8.330 24.518 -20.933 1.00 0.00 N ATOM 1495 CA THR A 94 7.561 23.475 -20.267 1.00 0.00 C ATOM 1496 C THR A 94 8.525 22.727 -19.345 1.00 0.00 C ATOM 1497 O THR A 94 9.659 22.430 -19.733 1.00 0.00 O ATOM 1498 CB THR A 94 6.876 22.555 -21.298 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.308 23.304 -22.361 1.00 0.00 O ATOM 1500 CG2 THR A 94 5.751 21.734 -20.665 1.00 0.00 C ATOM 0 H THR A 94 9.157 24.164 -21.414 1.00 0.00 H new ATOM 0 HA THR A 94 6.750 23.895 -19.673 1.00 0.00 H new ATOM 0 HB THR A 94 7.656 21.892 -21.674 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.882 22.695 -23.000 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.293 21.099 -21.423 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.159 21.112 -19.868 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.998 22.406 -20.252 1.00 0.00 H new ATOM 1508 N ALA A 95 8.069 22.442 -18.128 1.00 0.00 N ATOM 1509 CA ALA A 95 8.813 21.762 -17.081 1.00 0.00 C ATOM 1510 C ALA A 95 7.990 20.564 -16.621 1.00 0.00 C ATOM 1511 O ALA A 95 6.765 20.557 -16.770 1.00 0.00 O ATOM 1512 CB ALA A 95 9.044 22.738 -15.920 1.00 0.00 C ATOM 0 H ALA A 95 7.125 22.693 -17.835 1.00 0.00 H new ATOM 0 HA ALA A 95 9.782 21.420 -17.444 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.602 22.237 -15.129 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.611 23.598 -16.275 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.083 23.073 -15.530 1.00 0.00 H new ATOM 1518 N LYS A 96 8.639 19.551 -16.044 1.00 0.00 N ATOM 1519 CA LYS A 96 7.909 18.481 -15.383 1.00 0.00 C ATOM 1520 C LYS A 96 7.396 19.079 -14.083 1.00 0.00 C ATOM 1521 O LYS A 96 8.152 19.769 -13.394 1.00 0.00 O ATOM 1522 CB LYS A 96 8.803 17.270 -15.047 1.00 0.00 C ATOM 1523 CG LYS A 96 9.311 16.417 -16.222 1.00 0.00 C ATOM 1524 CD LYS A 96 10.404 17.036 -17.114 1.00 0.00 C ATOM 1525 CE LYS A 96 11.651 17.542 -16.365 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.400 16.478 -15.649 1.00 0.00 N ATOM 0 H LYS A 96 9.654 19.454 -16.023 1.00 0.00 H new ATOM 0 HA LYS A 96 7.119 18.116 -16.039 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.670 17.634 -14.496 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.247 16.618 -14.373 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.693 15.479 -15.819 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.458 16.169 -16.854 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.717 16.293 -17.847 1.00 0.00 H new ATOM 0 HD3 LYS A 96 9.970 17.868 -17.669 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.319 18.025 -17.078 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.347 18.304 -15.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.152 16.909 -15.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.750 15.953 -15.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.823 15.826 -16.340 1.00 0.00 H new ATOM 1540 N LEU A 97 6.165 18.766 -13.688 1.00 0.00 N ATOM 1541 CA LEU A 97 5.700 19.103 -12.341 1.00 0.00 C ATOM 1542 C LEU A 97 6.596 18.371 -11.325 1.00 0.00 C ATOM 1543 O LEU A 97 6.862 18.873 -10.238 1.00 0.00 O ATOM 1544 CB LEU A 97 4.224 18.710 -12.166 1.00 0.00 C ATOM 1545 CG LEU A 97 3.613 19.186 -10.830 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.546 20.716 -10.740 1.00 0.00 C ATOM 1547 CD2 LEU A 97 2.200 18.619 -10.691 1.00 0.00 C ATOM 0 H LEU A 97 5.478 18.286 -14.270 1.00 0.00 H new ATOM 0 HA LEU A 97 5.768 20.179 -12.177 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.645 19.127 -12.990 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.135 17.626 -12.231 1.00 0.00 H new ATOM 0 HG LEU A 97 4.256 18.828 -10.026 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.110 21.005 -9.784 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.551 21.130 -10.820 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.929 21.102 -11.552 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.765 18.953 -9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.584 18.969 -11.519 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.242 17.530 -10.706 1.00 0.00 H new ATOM 1559 N SER A 98 7.129 17.218 -11.738 1.00 0.00 N ATOM 1560 CA SER A 98 8.100 16.382 -11.044 1.00 0.00 C ATOM 1561 C SER A 98 9.445 17.083 -10.773 1.00 0.00 C ATOM 1562 O SER A 98 10.269 16.544 -10.031 1.00 0.00 O ATOM 1563 CB SER A 98 8.303 15.132 -11.918 1.00 0.00 C ATOM 1564 OG SER A 98 7.054 14.706 -12.445 1.00 0.00 O ATOM 0 H SER A 98 6.869 16.817 -12.639 1.00 0.00 H new ATOM 0 HA SER A 98 7.714 16.136 -10.055 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.995 15.354 -12.731 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.751 14.333 -11.327 1.00 0.00 H new ATOM 0 HG SER A 98 7.100 14.691 -13.424 1.00 0.00 H new ATOM 1570 N ASP A 99 9.671 18.271 -11.349 1.00 0.00 N ATOM 1571 CA ASP A 99 10.881 19.080 -11.186 1.00 0.00 C ATOM 1572 C ASP A 99 10.502 20.469 -10.651 1.00 0.00 C ATOM 1573 O ASP A 99 11.337 21.368 -10.629 1.00 0.00 O ATOM 1574 CB ASP A 99 11.634 19.219 -12.529 1.00 0.00 C ATOM 1575 CG ASP A 99 12.503 18.034 -12.943 1.00 0.00 C ATOM 1576 OD1 ASP A 99 12.238 16.875 -12.562 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.429 18.253 -13.755 1.00 0.00 O ATOM 0 H ASP A 99 8.987 18.710 -11.965 1.00 0.00 H new ATOM 0 HA ASP A 99 11.540 18.583 -10.475 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.901 19.397 -13.316 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.266 20.105 -12.477 1.00 0.00 H new ATOM 1582 N ILE A 100 9.255 20.685 -10.227 1.00 0.00 N ATOM 1583 CA ILE A 100 8.760 21.977 -9.763 1.00 0.00 C ATOM 1584 C ILE A 100 8.464 21.869 -8.274 1.00 0.00 C ATOM 1585 O ILE A 100 8.012 20.840 -7.767 1.00 0.00 O ATOM 1586 CB ILE A 100 7.549 22.416 -10.627 1.00 0.00 C ATOM 1587 CG1 ILE A 100 8.072 23.111 -11.902 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.485 23.277 -9.914 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.327 24.618 -11.799 1.00 0.00 C ATOM 0 H ILE A 100 8.549 19.950 -10.197 1.00 0.00 H new ATOM 0 HA ILE A 100 9.504 22.764 -9.884 1.00 0.00 H new ATOM 0 HB ILE A 100 7.007 21.502 -10.870 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.002 22.626 -12.198 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.354 22.940 -12.704 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.687 23.524 -10.615 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.070 22.721 -9.073 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.945 24.196 -9.550 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.691 24.992 -12.756 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.399 25.127 -11.540 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.073 24.809 -11.027 1.00 0.00 H new ATOM 1601 N GLU A 101 8.703 22.981 -7.593 1.00 0.00 N ATOM 1602 CA GLU A 101 8.422 23.168 -6.182 1.00 0.00 C ATOM 1603 C GLU A 101 7.726 24.522 -6.072 1.00 0.00 C ATOM 1604 O GLU A 101 8.339 25.558 -6.331 1.00 0.00 O ATOM 1605 CB GLU A 101 9.739 23.084 -5.395 1.00 0.00 C ATOM 1606 CG GLU A 101 9.515 23.147 -3.879 1.00 0.00 C ATOM 1607 CD GLU A 101 10.842 23.017 -3.112 1.00 0.00 C ATOM 1608 OE1 GLU A 101 11.463 21.930 -3.144 1.00 0.00 O ATOM 1609 OE2 GLU A 101 11.272 23.996 -2.461 1.00 0.00 O ATOM 0 H GLU A 101 9.114 23.807 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 101 7.773 22.401 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.251 22.155 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.394 23.901 -5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.033 24.090 -3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.838 22.349 -3.576 1.00 0.00 H new ATOM 1616 N ALA A 102 6.424 24.522 -5.780 1.00 0.00 N ATOM 1617 CA ALA A 102 5.647 25.752 -5.724 1.00 0.00 C ATOM 1618 C ALA A 102 6.077 26.598 -4.526 1.00 0.00 C ATOM 1619 O ALA A 102 6.472 26.074 -3.481 1.00 0.00 O ATOM 1620 CB ALA A 102 4.156 25.435 -5.632 1.00 0.00 C ATOM 0 H ALA A 102 5.888 23.678 -5.579 1.00 0.00 H new ATOM 0 HA ALA A 102 5.830 26.318 -6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.588 26.365 -5.591 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.851 24.862 -6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.963 24.852 -4.732 1.00 0.00 H new ATOM 1626 N ILE A 103 5.937 27.911 -4.680 1.00 0.00 N ATOM 1627 CA ILE A 103 6.309 28.913 -3.690 1.00 0.00 C ATOM 1628 C ILE A 103 5.035 29.678 -3.318 1.00 0.00 C ATOM 1629 O ILE A 103 4.293 30.125 -4.194 1.00 0.00 O ATOM 1630 CB ILE A 103 7.413 29.831 -4.272 1.00 0.00 C ATOM 1631 CG1 ILE A 103 8.715 29.047 -4.575 1.00 0.00 C ATOM 1632 CG2 ILE A 103 7.735 30.995 -3.317 1.00 0.00 C ATOM 1633 CD1 ILE A 103 9.710 29.831 -5.441 1.00 0.00 C ATOM 0 H ILE A 103 5.547 28.320 -5.529 1.00 0.00 H new ATOM 0 HA ILE A 103 6.725 28.464 -2.788 1.00 0.00 H new ATOM 0 HB ILE A 103 7.020 30.231 -5.207 1.00 0.00 H new ATOM 0 HG12 ILE A 103 9.196 28.778 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 103 8.460 28.115 -5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 103 8.513 31.620 -3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.838 31.592 -3.156 1.00 0.00 H new ATOM 0 HG23 ILE A 103 8.082 30.598 -2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.598 29.224 -5.615 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.246 30.077 -6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 103 9.993 30.750 -4.928 1.00 0.00 H new ATOM 1645 N ASP A 104 4.825 29.852 -2.007 1.00 0.00 N ATOM 1646 CA ASP A 104 3.749 30.648 -1.404 1.00 0.00 C ATOM 1647 C ASP A 104 2.367 30.358 -2.017 1.00 0.00 C ATOM 1648 O ASP A 104 1.581 31.265 -2.301 1.00 0.00 O ATOM 1649 CB ASP A 104 4.135 32.137 -1.414 1.00 0.00 C ATOM 1650 CG ASP A 104 3.150 33.012 -0.615 1.00 0.00 C ATOM 1651 OD1 ASP A 104 2.778 32.643 0.523 1.00 0.00 O ATOM 1652 OD2 ASP A 104 2.789 34.113 -1.091 1.00 0.00 O ATOM 0 H ASP A 104 5.428 29.422 -1.306 1.00 0.00 H new ATOM 0 HA ASP A 104 3.639 30.345 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 104 5.136 32.251 -0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 104 4.176 32.491 -2.444 1.00 0.00 H new ATOM 1657 N VAL A 105 2.090 29.075 -2.273 1.00 0.00 N ATOM 1658 CA VAL A 105 0.879 28.629 -2.958 1.00 0.00 C ATOM 1659 C VAL A 105 -0.168 28.145 -1.940 1.00 0.00 C ATOM 1660 O VAL A 105 0.123 28.041 -0.743 1.00 0.00 O ATOM 1661 CB VAL A 105 1.272 27.601 -4.044 1.00 0.00 C ATOM 1662 CG1 VAL A 105 1.483 26.168 -3.528 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.308 27.663 -5.229 1.00 0.00 C ATOM 0 H VAL A 105 2.710 28.310 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 105 0.388 29.451 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 105 2.261 27.901 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.755 25.518 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.282 26.162 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.562 25.806 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.606 26.930 -5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.703 27.442 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.333 28.661 -5.667 1.00 0.00 H new ATOM 1673 N ASP A 106 -1.395 27.874 -2.401 1.00 0.00 N ATOM 1674 CA ASP A 106 -2.464 27.368 -1.543 1.00 0.00 C ATOM 1675 C ASP A 106 -2.137 25.966 -1.037 1.00 0.00 C ATOM 1676 O ASP A 106 -1.371 25.214 -1.643 1.00 0.00 O ATOM 1677 CB ASP A 106 -3.805 27.319 -2.280 1.00 0.00 C ATOM 1678 CG ASP A 106 -4.988 27.075 -1.332 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -5.434 28.032 -0.661 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -5.441 25.915 -1.228 1.00 0.00 O ATOM 0 H ASP A 106 -1.670 28.000 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.544 28.057 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.958 28.258 -2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.775 26.528 -3.030 1.00 0.00 H new ATOM 1685 N ASP A 107 -2.799 25.596 0.048 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.634 24.312 0.718 1.00 0.00 C ATOM 1687 C ASP A 107 -2.992 23.163 -0.215 1.00 0.00 C ATOM 1688 O ASP A 107 -2.265 22.176 -0.260 1.00 0.00 O ATOM 1689 CB ASP A 107 -3.509 24.263 1.973 1.00 0.00 C ATOM 1690 CG ASP A 107 -3.410 22.892 2.664 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -2.381 22.619 3.322 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -4.384 22.109 2.603 1.00 0.00 O ATOM 0 H ASP A 107 -3.487 26.197 0.502 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.588 24.205 1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -3.201 25.046 2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.546 24.465 1.705 1.00 0.00 H new ATOM 1697 N ASP A 108 -4.060 23.293 -1.007 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.518 22.208 -1.869 1.00 0.00 C ATOM 1699 C ASP A 108 -3.578 22.038 -3.069 1.00 0.00 C ATOM 1700 O ASP A 108 -3.388 20.927 -3.566 1.00 0.00 O ATOM 1701 CB ASP A 108 -5.964 22.487 -2.311 1.00 0.00 C ATOM 1702 CG ASP A 108 -6.772 21.226 -2.670 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.402 20.097 -2.280 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -7.857 21.381 -3.276 1.00 0.00 O ATOM 0 H ASP A 108 -4.622 24.142 -1.067 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.502 21.269 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.480 23.019 -1.512 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.946 23.151 -3.175 1.00 0.00 H new ATOM 1709 N THR A 109 -2.927 23.127 -3.501 1.00 0.00 N ATOM 1710 CA THR A 109 -1.912 23.083 -4.552 1.00 0.00 C ATOM 1711 C THR A 109 -0.661 22.395 -4.001 1.00 0.00 C ATOM 1712 O THR A 109 -0.137 21.478 -4.635 1.00 0.00 O ATOM 1713 CB THR A 109 -1.626 24.511 -5.063 1.00 0.00 C ATOM 1714 OG1 THR A 109 -2.849 25.109 -5.443 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.749 24.555 -6.313 1.00 0.00 C ATOM 0 H THR A 109 -3.093 24.062 -3.128 1.00 0.00 H new ATOM 0 HA THR A 109 -2.264 22.505 -5.406 1.00 0.00 H new ATOM 0 HB THR A 109 -1.112 25.021 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.469 24.417 -5.754 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.592 25.592 -6.611 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.213 24.090 -6.099 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.241 24.015 -7.122 1.00 0.00 H new ATOM 1723 N GLN A 110 -0.211 22.784 -2.801 1.00 0.00 N ATOM 1724 CA GLN A 110 0.958 22.188 -2.174 1.00 0.00 C ATOM 1725 C GLN A 110 0.706 20.693 -1.937 1.00 0.00 C ATOM 1726 O GLN A 110 1.566 19.875 -2.255 1.00 0.00 O ATOM 1727 CB GLN A 110 1.300 22.946 -0.876 1.00 0.00 C ATOM 1728 CG GLN A 110 2.802 22.936 -0.546 1.00 0.00 C ATOM 1729 CD GLN A 110 3.375 21.532 -0.341 1.00 0.00 C ATOM 1730 OE1 GLN A 110 3.073 20.855 0.639 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.204 21.061 -1.261 1.00 0.00 N ATOM 0 H GLN A 110 -0.650 23.518 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 110 1.824 22.272 -2.830 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.961 23.978 -0.966 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.750 22.501 -0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.346 23.427 -1.353 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.971 23.524 0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 110 4.447 21.633 -2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 110 4.600 20.126 -1.160 1.00 0.00 H new ATOM 1740 N GLU A 111 -0.481 20.319 -1.450 1.00 0.00 N ATOM 1741 CA GLU A 111 -0.844 18.928 -1.224 1.00 0.00 C ATOM 1742 C GLU A 111 -0.779 18.127 -2.515 1.00 0.00 C ATOM 1743 O GLU A 111 -0.191 17.053 -2.510 1.00 0.00 O ATOM 1744 CB GLU A 111 -2.248 18.818 -0.610 1.00 0.00 C ATOM 1745 CG GLU A 111 -2.233 19.042 0.906 1.00 0.00 C ATOM 1746 CD GLU A 111 -1.493 17.922 1.667 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -1.791 16.725 1.451 1.00 0.00 O ATOM 1748 OE2 GLU A 111 -0.615 18.233 2.504 1.00 0.00 O ATOM 0 H GLU A 111 -1.217 20.981 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 111 -0.122 18.513 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.906 19.550 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.662 17.833 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.757 19.998 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.259 19.106 1.270 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.326 18.637 -3.621 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.284 17.930 -4.895 1.00 0.00 C ATOM 1757 C ALA A 112 0.158 17.723 -5.375 1.00 0.00 C ATOM 1758 O ALA A 112 0.481 16.659 -5.902 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.101 18.703 -5.928 1.00 0.00 C ATOM 0 H ALA A 112 -1.803 19.538 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.719 16.940 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.072 18.177 -6.882 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.134 18.783 -5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.681 19.701 -6.051 1.00 0.00 H new ATOM 1765 N ILE A 113 1.031 18.716 -5.184 1.00 0.00 N ATOM 1766 CA ILE A 113 2.435 18.622 -5.568 1.00 0.00 C ATOM 1767 C ILE A 113 3.144 17.589 -4.687 1.00 0.00 C ATOM 1768 O ILE A 113 3.788 16.686 -5.217 1.00 0.00 O ATOM 1769 CB ILE A 113 3.068 20.027 -5.501 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.489 20.882 -6.649 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.605 19.994 -5.580 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.630 22.378 -6.391 1.00 0.00 C ATOM 0 H ILE A 113 0.780 19.608 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 113 2.539 18.272 -6.595 1.00 0.00 H new ATOM 0 HB ILE A 113 2.822 20.464 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 113 2.997 20.628 -7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.435 20.638 -6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.994 21.011 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.000 19.412 -4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.911 19.536 -6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.207 22.933 -7.228 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.099 22.641 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.685 22.631 -6.284 1.00 0.00 H new ATOM 1784 N ALA A 114 3.012 17.681 -3.361 1.00 0.00 N ATOM 1785 CA ALA A 114 3.619 16.726 -2.438 1.00 0.00 C ATOM 1786 C ALA A 114 3.119 15.307 -2.728 1.00 0.00 C ATOM 1787 O ALA A 114 3.895 14.351 -2.703 1.00 0.00 O ATOM 1788 CB ALA A 114 3.288 17.128 -0.997 1.00 0.00 C ATOM 0 H ALA A 114 2.481 18.420 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 114 4.701 16.737 -2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.741 16.416 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.681 18.125 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.207 17.130 -0.859 1.00 0.00 H new ATOM 1794 N ASP A 115 1.828 15.182 -3.029 1.00 0.00 N ATOM 1795 CA ASP A 115 1.187 13.909 -3.326 1.00 0.00 C ATOM 1796 C ASP A 115 1.751 13.293 -4.607 1.00 0.00 C ATOM 1797 O ASP A 115 2.104 12.112 -4.627 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.334 14.082 -3.397 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.062 12.742 -3.520 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.428 12.170 -2.465 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -1.319 12.299 -4.656 1.00 0.00 O ATOM 0 H ASP A 115 1.190 15.977 -3.073 1.00 0.00 H new ATOM 0 HA ASP A 115 1.405 13.213 -2.516 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.681 14.602 -2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.587 14.711 -4.250 1.00 0.00 H new ATOM 1806 N TRP A 116 1.943 14.110 -5.649 1.00 0.00 N ATOM 1807 CA TRP A 116 2.613 13.680 -6.865 1.00 0.00 C ATOM 1808 C TRP A 116 4.076 13.307 -6.590 1.00 0.00 C ATOM 1809 O TRP A 116 4.584 12.360 -7.186 1.00 0.00 O ATOM 1810 CB TRP A 116 2.512 14.777 -7.936 1.00 0.00 C ATOM 1811 CG TRP A 116 3.185 14.426 -9.227 1.00 0.00 C ATOM 1812 CD1 TRP A 116 4.314 14.994 -9.710 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.846 13.359 -10.166 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.702 14.343 -10.862 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.855 13.304 -11.173 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.806 12.408 -10.252 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.851 12.336 -12.189 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.775 11.451 -11.284 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.801 11.404 -12.244 1.00 0.00 C ATOM 0 H TRP A 116 1.637 15.083 -5.666 1.00 0.00 H new ATOM 0 HA TRP A 116 2.115 12.785 -7.237 1.00 0.00 H new ATOM 0 HB2 TRP A 116 1.460 14.986 -8.131 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.952 15.695 -7.545 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.832 15.829 -9.262 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.518 14.601 -11.417 1.00 0.00 H new ATOM 0 HE3 TRP A 116 1.019 12.415 -9.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.646 12.308 -12.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.957 10.748 -11.339 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.782 10.654 -13.021 1.00 0.00 H new ATOM 1830 N LEU A 117 4.771 14.011 -5.691 1.00 0.00 N ATOM 1831 CA LEU A 117 6.192 13.778 -5.453 1.00 0.00 C ATOM 1832 C LEU A 117 6.434 12.454 -4.727 1.00 0.00 C ATOM 1833 O LEU A 117 7.358 11.735 -5.110 1.00 0.00 O ATOM 1834 CB LEU A 117 6.821 14.959 -4.697 1.00 0.00 C ATOM 1835 CG LEU A 117 7.042 16.197 -5.593 1.00 0.00 C ATOM 1836 CD1 LEU A 117 7.327 17.419 -4.716 1.00 0.00 C ATOM 1837 CD2 LEU A 117 8.194 16.002 -6.589 1.00 0.00 C ATOM 0 H LEU A 117 4.367 14.750 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 117 6.682 13.703 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.178 15.232 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.776 14.647 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 117 6.131 16.347 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.483 18.293 -5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.480 17.597 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.222 17.238 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.307 16.901 -7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.119 15.813 -6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.975 15.153 -7.237 1.00 0.00 H new ATOM 1849 N TYR A 118 5.620 12.070 -3.733 1.00 0.00 N ATOM 1850 CA TYR A 118 5.784 10.737 -3.146 1.00 0.00 C ATOM 1851 C TYR A 118 5.335 9.657 -4.139 1.00 0.00 C ATOM 1852 O TYR A 118 5.882 8.553 -4.127 1.00 0.00 O ATOM 1853 CB TYR A 118 5.124 10.592 -1.762 1.00 0.00 C ATOM 1854 CG TYR A 118 3.635 10.296 -1.745 1.00 0.00 C ATOM 1855 CD1 TYR A 118 3.143 9.041 -2.166 1.00 0.00 C ATOM 1856 CD2 TYR A 118 2.735 11.282 -1.307 1.00 0.00 C ATOM 1857 CE1 TYR A 118 1.763 8.827 -2.301 1.00 0.00 C ATOM 1858 CE2 TYR A 118 1.352 11.058 -1.399 1.00 0.00 C ATOM 1859 CZ TYR A 118 0.865 9.865 -1.976 1.00 0.00 C ATOM 1860 OH TYR A 118 -0.452 9.733 -2.265 1.00 0.00 O ATOM 0 H TYR A 118 4.872 12.637 -3.334 1.00 0.00 H new ATOM 0 HA TYR A 118 6.848 10.595 -2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.636 9.795 -1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 118 5.294 11.514 -1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 118 3.834 8.240 -2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 118 3.106 12.211 -0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 118 1.391 7.875 -2.651 1.00 0.00 H new ATOM 0 HE2 TYR A 118 0.660 11.799 -1.028 1.00 0.00 H new ATOM 0 HH TYR A 118 -0.859 10.621 -2.348 1.00 0.00 H new ATOM 1870 N TRP A 119 4.373 9.948 -5.022 1.00 0.00 N ATOM 1871 CA TRP A 119 3.986 9.025 -6.075 1.00 0.00 C ATOM 1872 C TRP A 119 5.152 8.832 -7.049 1.00 0.00 C ATOM 1873 O TRP A 119 5.405 7.713 -7.492 1.00 0.00 O ATOM 1874 CB TRP A 119 2.717 9.540 -6.756 1.00 0.00 C ATOM 1875 CG TRP A 119 2.294 8.765 -7.955 1.00 0.00 C ATOM 1876 CD1 TRP A 119 2.682 9.029 -9.221 1.00 0.00 C ATOM 1877 CD2 TRP A 119 1.465 7.569 -8.027 1.00 0.00 C ATOM 1878 NE1 TRP A 119 2.089 8.129 -10.081 1.00 0.00 N ATOM 1879 CE2 TRP A 119 1.354 7.184 -9.395 1.00 0.00 C ATOM 1880 CE3 TRP A 119 0.810 6.760 -7.072 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 0.632 6.049 -9.793 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 0.078 5.621 -7.463 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -0.011 5.265 -8.821 1.00 0.00 C ATOM 0 H TRP A 119 3.850 10.824 -5.021 1.00 0.00 H new ATOM 0 HA TRP A 119 3.756 8.043 -5.661 1.00 0.00 H new ATOM 0 HB2 TRP A 119 1.904 9.533 -6.030 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.874 10.578 -7.049 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.353 9.823 -9.515 1.00 0.00 H new ATOM 0 HE1 TRP A 119 2.182 8.158 -11.096 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.871 7.019 -6.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.571 5.780 -10.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -0.417 5.018 -6.716 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.573 4.391 -9.116 1.00 0.00 H new ATOM 1894 N LEU A 120 5.933 9.882 -7.312 1.00 0.00 N ATOM 1895 CA LEU A 120 7.167 9.777 -8.071 1.00 0.00 C ATOM 1896 C LEU A 120 8.106 8.767 -7.391 1.00 0.00 C ATOM 1897 O LEU A 120 8.621 7.851 -8.034 1.00 0.00 O ATOM 1898 CB LEU A 120 7.846 11.160 -8.158 1.00 0.00 C ATOM 1899 CG LEU A 120 8.527 11.397 -9.512 1.00 0.00 C ATOM 1900 CD1 LEU A 120 7.484 11.890 -10.520 1.00 0.00 C ATOM 1901 CD2 LEU A 120 9.641 12.441 -9.376 1.00 0.00 C ATOM 0 H LEU A 120 5.721 10.830 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 120 6.944 9.431 -9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 120 7.101 11.938 -7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 120 8.586 11.248 -7.363 1.00 0.00 H new ATOM 0 HG LEU A 120 8.966 10.461 -9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 120 7.962 12.060 -11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.701 11.139 -10.630 1.00 0.00 H new ATOM 0 HD13 LEU A 120 7.045 12.822 -10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.114 12.597 -10.346 1.00 0.00 H new ATOM 0 HD22 LEU A 120 9.217 13.381 -9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 120 10.385 12.088 -8.662 1.00 0.00 H new ATOM 1913 N ALA A 121 8.292 8.913 -6.071 1.00 0.00 N ATOM 1914 CA ALA A 121 9.171 8.062 -5.271 1.00 0.00 C ATOM 1915 C ALA A 121 8.694 6.602 -5.203 1.00 0.00 C ATOM 1916 O ALA A 121 9.511 5.702 -5.007 1.00 0.00 O ATOM 1917 CB ALA A 121 9.312 8.647 -3.860 1.00 0.00 C ATOM 0 H ALA A 121 7.827 9.638 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 121 10.142 8.046 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.968 8.010 -3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 121 9.737 9.649 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 121 8.331 8.698 -3.388 1.00 0.00 H new ATOM 1923 N ARG A 122 7.391 6.349 -5.381 1.00 0.00 N ATOM 1924 CA ARG A 122 6.785 5.014 -5.411 1.00 0.00 C ATOM 1925 C ARG A 122 7.389 4.081 -6.462 1.00 0.00 C ATOM 1926 O ARG A 122 7.230 2.867 -6.328 1.00 0.00 O ATOM 1927 CB ARG A 122 5.272 5.161 -5.685 1.00 0.00 C ATOM 1928 CG ARG A 122 4.374 4.402 -4.709 1.00 0.00 C ATOM 1929 CD ARG A 122 4.203 5.261 -3.452 1.00 0.00 C ATOM 1930 NE ARG A 122 3.478 4.555 -2.392 1.00 0.00 N ATOM 1931 CZ ARG A 122 2.155 4.382 -2.309 1.00 0.00 C ATOM 1932 NH1 ARG A 122 1.327 4.766 -3.273 1.00 0.00 N ATOM 1933 NH2 ARG A 122 1.625 3.814 -1.243 1.00 0.00 N ATOM 0 H ARG A 122 6.707 7.094 -5.512 1.00 0.00 H new ATOM 0 HA ARG A 122 6.982 4.559 -4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 122 5.011 6.219 -5.652 1.00 0.00 H new ATOM 0 HB3 ARG A 122 5.063 4.813 -6.697 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.405 4.197 -5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.817 3.439 -4.455 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.184 5.559 -3.082 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.668 6.175 -3.709 1.00 0.00 H new ATOM 0 HE ARG A 122 4.040 4.155 -1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.695 5.210 -4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.323 4.617 -3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.225 3.505 -0.478 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.615 3.684 -1.183 1.00 0.00 H new ATOM 1947 N GLY A 123 8.023 4.614 -7.509 1.00 0.00 N ATOM 1948 CA GLY A 123 8.429 3.811 -8.661 1.00 0.00 C ATOM 1949 C GLY A 123 7.240 3.606 -9.608 1.00 0.00 C ATOM 1950 O GLY A 123 7.078 2.533 -10.191 1.00 0.00 O ATOM 0 H GLY A 123 8.266 5.602 -7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 123 9.244 4.306 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 123 8.807 2.845 -8.326 1.00 0.00 H new ATOM 1954 N TYR A 124 6.385 4.629 -9.703 1.00 0.00 N ATOM 1955 CA TYR A 124 5.250 4.754 -10.610 1.00 0.00 C ATOM 1956 C TYR A 124 5.589 4.473 -12.082 1.00 0.00 C ATOM 1957 O TYR A 124 6.755 4.487 -12.489 1.00 0.00 O ATOM 1958 CB TYR A 124 4.685 6.178 -10.484 1.00 0.00 C ATOM 1959 CG TYR A 124 5.509 7.277 -11.157 1.00 0.00 C ATOM 1960 CD1 TYR A 124 6.876 7.468 -10.866 1.00 0.00 C ATOM 1961 CD2 TYR A 124 4.906 8.095 -12.128 1.00 0.00 C ATOM 1962 CE1 TYR A 124 7.639 8.401 -11.587 1.00 0.00 C ATOM 1963 CE2 TYR A 124 5.647 9.058 -12.828 1.00 0.00 C ATOM 1964 CZ TYR A 124 7.032 9.194 -12.586 1.00 0.00 C ATOM 1965 OH TYR A 124 7.788 10.080 -13.286 1.00 0.00 O ATOM 0 H TYR A 124 6.479 5.448 -9.103 1.00 0.00 H new ATOM 0 HA TYR A 124 4.523 3.997 -10.317 1.00 0.00 H new ATOM 0 HB2 TYR A 124 3.681 6.190 -10.908 1.00 0.00 H new ATOM 0 HB3 TYR A 124 4.587 6.419 -9.425 1.00 0.00 H new ATOM 0 HD1 TYR A 124 7.341 6.891 -10.080 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.853 7.980 -12.339 1.00 0.00 H new ATOM 0 HE1 TYR A 124 8.693 8.512 -11.377 1.00 0.00 H new ATOM 0 HE2 TYR A 124 5.159 9.695 -13.551 1.00 0.00 H new ATOM 0 HH TYR A 124 7.287 10.390 -14.069 1.00 0.00 H new ATOM 1975 N LYS A 125 4.539 4.293 -12.895 1.00 0.00 N ATOM 1976 CA LYS A 125 4.627 4.039 -14.339 1.00 0.00 C ATOM 1977 C LYS A 125 3.684 4.945 -15.143 1.00 0.00 C ATOM 1978 O LYS A 125 3.755 4.950 -16.374 1.00 0.00 O ATOM 1979 CB LYS A 125 4.295 2.559 -14.628 1.00 0.00 C ATOM 1980 CG LYS A 125 5.129 1.529 -13.850 1.00 0.00 C ATOM 1981 CD LYS A 125 6.608 1.499 -14.268 1.00 0.00 C ATOM 1982 CE LYS A 125 7.452 0.583 -13.367 1.00 0.00 C ATOM 1983 NZ LYS A 125 7.111 -0.856 -13.513 1.00 0.00 N ATOM 0 H LYS A 125 3.577 4.321 -12.556 1.00 0.00 H new ATOM 0 HA LYS A 125 5.647 4.263 -14.651 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.242 2.391 -14.404 1.00 0.00 H new ATOM 0 HB3 LYS A 125 4.427 2.377 -15.694 1.00 0.00 H new ATOM 0 HG2 LYS A 125 5.065 1.751 -12.785 1.00 0.00 H new ATOM 0 HG3 LYS A 125 4.698 0.539 -13.996 1.00 0.00 H new ATOM 0 HD2 LYS A 125 6.684 1.159 -15.301 1.00 0.00 H new ATOM 0 HD3 LYS A 125 7.013 2.510 -14.235 1.00 0.00 H new ATOM 0 HE2 LYS A 125 8.507 0.725 -13.601 1.00 0.00 H new ATOM 0 HE3 LYS A 125 7.314 0.879 -12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 7.713 -1.421 -12.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 6.112 -1.003 -13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 7.269 -1.152 -14.497 1.00 0.00 H new ATOM 1997 N PHE A 126 2.799 5.688 -14.477 1.00 0.00 N ATOM 1998 CA PHE A 126 1.777 6.550 -15.059 1.00 0.00 C ATOM 1999 C PHE A 126 1.453 7.637 -14.036 1.00 0.00 C ATOM 2000 O PHE A 126 1.058 8.742 -14.462 1.00 0.00 O ATOM 2001 CB PHE A 126 0.521 5.738 -15.427 1.00 0.00 C ATOM 2002 CG PHE A 126 0.094 4.690 -14.411 1.00 0.00 C ATOM 2003 CD1 PHE A 126 -0.656 5.057 -13.279 1.00 0.00 C ATOM 2004 CD2 PHE A 126 0.484 3.346 -14.578 1.00 0.00 C ATOM 2005 CE1 PHE A 126 -1.011 4.091 -12.321 1.00 0.00 C ATOM 2006 CE2 PHE A 126 0.150 2.384 -13.609 1.00 0.00 C ATOM 2007 CZ PHE A 126 -0.597 2.756 -12.476 1.00 0.00 C ATOM 2008 OXT PHE A 126 1.634 7.381 -12.824 1.00 0.00 O ATOM 0 H PHE A 126 2.778 5.703 -13.457 1.00 0.00 H new ATOM 0 HA PHE A 126 2.140 7.002 -15.982 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -0.307 6.431 -15.577 1.00 0.00 H new ATOM 0 HB3 PHE A 126 0.698 5.242 -16.381 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -0.960 6.085 -13.145 1.00 0.00 H new ATOM 0 HD2 PHE A 126 1.042 3.054 -15.455 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -1.603 4.375 -11.464 1.00 0.00 H new ATOM 0 HE2 PHE A 126 0.467 1.359 -13.734 1.00 0.00 H new ATOM 0 HZ PHE A 126 -0.851 2.019 -11.728 1.00 0.00 H new TER 2018 PHE A 126