USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 614 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 37 ASN : amide:sc= 0.974 K(o=0.92,f=-0.005) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0508 X(o=0.92,f=1) USER MOD Set 2.1: A 2 MET CE :methyl 176:sc= 0 (180deg=-0.0324) USER MOD Set 2.2: A 22 ASN : amide:sc= 0.788 K(o=1.5,f=-0.0078) USER MOD Set 2.3: A 23 HIS : no HD1:sc= 0.689 K(o=1.5,f=-0.058) USER MOD Single : A 1 SER N :NH3+ 141:sc= 0.0375 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00332 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -160:sc= 0.808 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -95:sc= 1.31 USER MOD Single : A 29 GLN : amide:sc= 0.795 K(o=0.79,f=-0.0092) USER MOD Single : A 33 TYR OH : rot 19:sc= 0.249 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.172 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.57 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.980 2.374 -26.017 1.00 0.00 N ATOM 2 CA SER A 1 -9.632 3.416 -26.847 1.00 0.00 C ATOM 3 C SER A 1 -8.835 3.699 -28.118 1.00 0.00 C ATOM 4 O SER A 1 -7.610 3.563 -28.128 1.00 0.00 O ATOM 5 CB SER A 1 -9.832 4.710 -26.052 1.00 0.00 C ATOM 6 OG SER A 1 -10.569 4.424 -24.873 1.00 0.00 O ATOM 0 H1 SER A 1 -9.068 2.626 -25.012 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.441 1.457 -26.186 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.974 2.308 -26.271 1.00 0.00 H new ATOM 0 HA SER A 1 -10.610 3.031 -27.136 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.867 5.146 -25.795 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.362 5.445 -26.658 1.00 0.00 H new ATOM 0 HG SER A 1 -10.698 5.249 -24.360 1.00 0.00 H new ATOM 14 N MET A 2 -9.510 4.109 -29.201 1.00 0.00 N ATOM 15 CA MET A 2 -8.876 4.412 -30.498 1.00 0.00 C ATOM 16 C MET A 2 -8.033 5.697 -30.448 1.00 0.00 C ATOM 17 O MET A 2 -6.876 5.693 -30.873 1.00 0.00 O ATOM 18 CB MET A 2 -9.974 4.484 -31.576 1.00 0.00 C ATOM 19 CG MET A 2 -9.416 4.773 -32.975 1.00 0.00 C ATOM 20 SD MET A 2 -10.645 4.710 -34.309 1.00 0.00 S ATOM 21 CE MET A 2 -11.618 6.196 -33.932 1.00 0.00 C ATOM 0 H MET A 2 -10.521 4.242 -29.204 1.00 0.00 H new ATOM 0 HA MET A 2 -8.176 3.615 -30.748 1.00 0.00 H new ATOM 0 HB2 MET A 2 -10.520 3.541 -31.595 1.00 0.00 H new ATOM 0 HB3 MET A 2 -10.690 5.261 -31.308 1.00 0.00 H new ATOM 0 HG2 MET A 2 -8.955 5.761 -32.971 1.00 0.00 H new ATOM 0 HG3 MET A 2 -8.627 4.054 -33.192 1.00 0.00 H new ATOM 0 HE1 MET A 2 -12.374 6.341 -34.704 1.00 0.00 H new ATOM 0 HE2 MET A 2 -12.106 6.076 -32.965 1.00 0.00 H new ATOM 0 HE3 MET A 2 -10.959 7.064 -33.901 1.00 0.00 H new ATOM 31 N ALA A 3 -8.607 6.778 -29.915 1.00 0.00 N ATOM 32 CA ALA A 3 -7.968 8.051 -29.565 1.00 0.00 C ATOM 33 C ALA A 3 -8.891 8.821 -28.585 1.00 0.00 C ATOM 34 O ALA A 3 -10.089 8.534 -28.525 1.00 0.00 O ATOM 35 CB ALA A 3 -7.709 8.852 -30.849 1.00 0.00 C ATOM 0 H ALA A 3 -9.604 6.788 -29.701 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.010 7.884 -29.073 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.234 9.800 -30.597 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -7.054 8.282 -31.508 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -8.655 9.044 -31.355 1.00 0.00 H new ATOM 41 N ASP A 4 -8.448 9.792 -27.784 1.00 0.00 N ATOM 42 CA ASP A 4 -7.098 10.359 -27.608 1.00 0.00 C ATOM 43 C ASP A 4 -6.033 9.343 -27.131 1.00 0.00 C ATOM 44 O ASP A 4 -6.357 8.291 -26.572 1.00 0.00 O ATOM 45 CB ASP A 4 -7.243 11.533 -26.615 1.00 0.00 C ATOM 46 CG ASP A 4 -5.907 12.101 -26.119 1.00 0.00 C ATOM 47 OD1 ASP A 4 -5.073 12.511 -26.959 1.00 0.00 O ATOM 48 OD2 ASP A 4 -5.672 12.077 -24.889 1.00 0.00 O ATOM 0 H ASP A 4 -9.107 10.262 -27.163 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.724 10.687 -28.578 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.810 12.332 -27.093 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.825 11.199 -25.756 1.00 0.00 H new ATOM 53 N ARG A 5 -4.751 9.669 -27.356 1.00 0.00 N ATOM 54 CA ARG A 5 -3.568 8.897 -26.929 1.00 0.00 C ATOM 55 C ARG A 5 -2.596 9.783 -26.138 1.00 0.00 C ATOM 56 O ARG A 5 -1.561 10.218 -26.645 1.00 0.00 O ATOM 57 CB ARG A 5 -2.890 8.219 -28.132 1.00 0.00 C ATOM 58 CG ARG A 5 -3.840 7.320 -28.937 1.00 0.00 C ATOM 59 CD ARG A 5 -3.090 6.573 -30.044 1.00 0.00 C ATOM 60 NE ARG A 5 -4.032 5.783 -30.852 1.00 0.00 N ATOM 61 CZ ARG A 5 -3.755 4.879 -31.770 1.00 0.00 C ATOM 62 NH1 ARG A 5 -2.535 4.562 -32.102 1.00 0.00 N ATOM 63 NH2 ARG A 5 -4.739 4.276 -32.369 1.00 0.00 N ATOM 0 H ARG A 5 -4.496 10.516 -27.864 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.896 8.102 -26.259 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.482 8.986 -28.790 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -2.049 7.623 -27.778 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.318 6.603 -28.270 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.633 7.925 -29.376 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.562 7.284 -30.679 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -2.337 5.918 -29.605 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.022 5.956 -30.680 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.747 5.020 -31.645 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.369 3.856 -32.819 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.702 4.506 -32.125 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.548 3.573 -33.083 1.00 0.00 H new ATOM 77 N VAL A 6 -2.963 10.048 -24.886 1.00 0.00 N ATOM 78 CA VAL A 6 -2.240 10.890 -23.908 1.00 0.00 C ATOM 79 C VAL A 6 -1.963 12.311 -24.439 1.00 0.00 C ATOM 80 O VAL A 6 -0.823 12.711 -24.688 1.00 0.00 O ATOM 81 CB VAL A 6 -0.988 10.182 -23.333 1.00 0.00 C ATOM 82 CG1 VAL A 6 -0.478 10.896 -22.071 1.00 0.00 C ATOM 83 CG2 VAL A 6 -1.276 8.728 -22.923 1.00 0.00 C ATOM 0 H VAL A 6 -3.822 9.663 -24.494 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.908 11.030 -23.059 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.247 10.209 -24.132 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.401 10.377 -21.690 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.214 11.925 -22.317 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.259 10.893 -21.311 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.367 8.275 -22.526 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.053 8.713 -22.159 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.612 8.164 -23.793 1.00 0.00 H new ATOM 93 N LEU A 7 -3.043 13.081 -24.591 1.00 0.00 N ATOM 94 CA LEU A 7 -3.081 14.508 -24.939 1.00 0.00 C ATOM 95 C LEU A 7 -2.357 14.852 -26.257 1.00 0.00 C ATOM 96 O LEU A 7 -1.412 15.650 -26.279 1.00 0.00 O ATOM 97 CB LEU A 7 -2.642 15.370 -23.731 1.00 0.00 C ATOM 98 CG LEU A 7 -3.425 15.134 -22.423 1.00 0.00 C ATOM 99 CD1 LEU A 7 -2.865 16.036 -21.322 1.00 0.00 C ATOM 100 CD2 LEU A 7 -4.919 15.435 -22.566 1.00 0.00 C ATOM 0 H LEU A 7 -3.981 12.700 -24.466 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.118 14.763 -25.156 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.585 15.183 -23.539 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.735 16.421 -24.005 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.310 14.079 -22.174 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.419 15.869 -20.398 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.812 15.803 -21.161 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.964 17.080 -21.621 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.420 15.252 -21.615 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.054 16.478 -22.852 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.348 14.790 -23.333 1.00 0.00 H new ATOM 112 N ARG A 8 -2.818 14.271 -27.373 1.00 0.00 N ATOM 113 CA ARG A 8 -2.345 14.605 -28.732 1.00 0.00 C ATOM 114 C ARG A 8 -2.645 16.054 -29.105 1.00 0.00 C ATOM 115 O ARG A 8 -3.796 16.489 -29.069 1.00 0.00 O ATOM 116 CB ARG A 8 -2.929 13.642 -29.778 1.00 0.00 C ATOM 117 CG ARG A 8 -2.346 12.223 -29.667 1.00 0.00 C ATOM 118 CD ARG A 8 -2.886 11.293 -30.766 1.00 0.00 C ATOM 119 NE ARG A 8 -2.546 11.769 -32.120 1.00 0.00 N ATOM 120 CZ ARG A 8 -1.455 11.535 -32.822 1.00 0.00 C ATOM 121 NH1 ARG A 8 -0.465 10.809 -32.388 1.00 0.00 N ATOM 122 NH2 ARG A 8 -1.319 12.034 -34.009 1.00 0.00 N ATOM 0 H ARG A 8 -3.537 13.548 -27.362 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.261 14.488 -28.726 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.012 13.596 -29.660 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.734 14.034 -30.776 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.259 12.271 -29.734 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.587 11.807 -28.689 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.480 10.292 -30.623 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.969 11.214 -30.672 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.247 12.356 -32.572 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.510 10.388 -31.460 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.355 10.662 -32.976 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.059 12.613 -34.407 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.472 11.849 -34.546 1.00 0.00 H new ATOM 136 N GLY A 9 -1.638 16.831 -29.499 1.00 0.00 N ATOM 137 CA GLY A 9 -0.189 16.577 -29.492 1.00 0.00 C ATOM 138 C GLY A 9 0.631 17.838 -29.792 1.00 0.00 C ATOM 139 O GLY A 9 0.163 18.739 -30.490 1.00 0.00 O ATOM 0 H GLY A 9 -1.834 17.759 -29.874 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.102 16.181 -28.519 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.046 15.811 -30.231 1.00 0.00 H new ATOM 143 N SER A 10 1.854 17.907 -29.259 1.00 0.00 N ATOM 144 CA SER A 10 2.767 19.058 -29.387 1.00 0.00 C ATOM 145 C SER A 10 3.650 19.033 -30.647 1.00 0.00 C ATOM 146 O SER A 10 4.238 20.056 -31.012 1.00 0.00 O ATOM 147 CB SER A 10 3.645 19.148 -28.132 1.00 0.00 C ATOM 148 OG SER A 10 4.362 17.936 -27.938 1.00 0.00 O ATOM 0 H SER A 10 2.252 17.145 -28.710 1.00 0.00 H new ATOM 0 HA SER A 10 2.136 19.941 -29.490 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.344 19.979 -28.229 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.024 19.353 -27.260 1.00 0.00 H new ATOM 0 HG SER A 10 4.918 18.010 -27.135 1.00 0.00 H new ATOM 154 N ARG A 11 3.737 17.884 -31.332 1.00 0.00 N ATOM 155 CA ARG A 11 4.504 17.689 -32.576 1.00 0.00 C ATOM 156 C ARG A 11 3.921 18.529 -33.721 1.00 0.00 C ATOM 157 O ARG A 11 2.717 18.496 -33.972 1.00 0.00 O ATOM 158 CB ARG A 11 4.522 16.182 -32.906 1.00 0.00 C ATOM 159 CG ARG A 11 5.287 15.755 -34.175 1.00 0.00 C ATOM 160 CD ARG A 11 6.817 15.849 -34.065 1.00 0.00 C ATOM 161 NE ARG A 11 7.333 17.197 -34.382 1.00 0.00 N ATOM 162 CZ ARG A 11 8.253 17.889 -33.735 1.00 0.00 C ATOM 163 NH1 ARG A 11 8.809 17.474 -32.632 1.00 0.00 N ATOM 164 NH2 ARG A 11 8.619 19.046 -34.201 1.00 0.00 N ATOM 0 H ARG A 11 3.261 17.035 -31.027 1.00 0.00 H new ATOM 0 HA ARG A 11 5.530 18.032 -32.442 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.953 15.654 -32.056 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.490 15.843 -33.002 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.016 14.727 -34.417 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.957 16.376 -35.008 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.121 15.577 -33.054 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.270 15.123 -34.740 1.00 0.00 H new ATOM 0 HE ARG A 11 6.928 17.649 -35.202 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.538 16.577 -32.230 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.516 18.047 -32.170 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.197 19.408 -35.056 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.329 19.592 -33.712 1.00 0.00 H new ATOM 178 N LEU A 12 4.796 19.230 -34.442 1.00 0.00 N ATOM 179 CA LEU A 12 4.522 19.956 -35.692 1.00 0.00 C ATOM 180 C LEU A 12 5.649 19.715 -36.712 1.00 0.00 C ATOM 181 O LEU A 12 6.754 19.316 -36.339 1.00 0.00 O ATOM 182 CB LEU A 12 4.362 21.462 -35.394 1.00 0.00 C ATOM 183 CG LEU A 12 3.104 21.850 -34.590 1.00 0.00 C ATOM 184 CD1 LEU A 12 3.144 23.346 -34.273 1.00 0.00 C ATOM 185 CD2 LEU A 12 1.813 21.568 -35.363 1.00 0.00 C ATOM 0 H LEU A 12 5.772 19.314 -34.157 1.00 0.00 H new ATOM 0 HA LEU A 12 3.593 19.585 -36.125 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.241 21.802 -34.846 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.348 22.002 -36.341 1.00 0.00 H new ATOM 0 HG LEU A 12 3.106 21.248 -33.681 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.255 23.621 -33.705 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.034 23.570 -33.685 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.171 23.914 -35.203 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.955 21.857 -34.756 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.812 22.141 -36.290 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.752 20.504 -35.594 1.00 0.00 H new ATOM 197 N GLY A 13 5.376 19.939 -38.001 1.00 0.00 N ATOM 198 CA GLY A 13 6.361 19.844 -39.094 1.00 0.00 C ATOM 199 C GLY A 13 6.817 18.425 -39.481 1.00 0.00 C ATOM 200 O GLY A 13 7.582 18.269 -40.435 1.00 0.00 O ATOM 0 H GLY A 13 4.444 20.198 -38.326 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.938 20.320 -39.978 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.242 20.421 -38.812 1.00 0.00 H new ATOM 204 N ALA A 14 6.352 17.393 -38.770 1.00 0.00 N ATOM 205 CA ALA A 14 6.633 15.976 -39.014 1.00 0.00 C ATOM 206 C ALA A 14 5.450 15.102 -38.559 1.00 0.00 C ATOM 207 O ALA A 14 4.719 15.466 -37.633 1.00 0.00 O ATOM 208 CB ALA A 14 7.921 15.590 -38.271 1.00 0.00 C ATOM 0 H ALA A 14 5.738 17.531 -37.967 1.00 0.00 H new ATOM 0 HA ALA A 14 6.771 15.809 -40.082 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.140 14.537 -38.446 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.748 16.198 -38.637 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.790 15.761 -37.203 1.00 0.00 H new ATOM 214 N VAL A 15 5.259 13.939 -39.191 1.00 0.00 N ATOM 215 CA VAL A 15 4.158 13.010 -38.868 1.00 0.00 C ATOM 216 C VAL A 15 4.288 12.425 -37.448 1.00 0.00 C ATOM 217 O VAL A 15 5.394 12.186 -36.965 1.00 0.00 O ATOM 218 CB VAL A 15 4.005 11.893 -39.922 1.00 0.00 C ATOM 219 CG1 VAL A 15 3.528 12.478 -41.257 1.00 0.00 C ATOM 220 CG2 VAL A 15 5.288 11.088 -40.166 1.00 0.00 C ATOM 0 H VAL A 15 5.863 13.610 -39.944 1.00 0.00 H new ATOM 0 HA VAL A 15 3.244 13.603 -38.893 1.00 0.00 H new ATOM 0 HB VAL A 15 3.265 11.205 -39.511 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.425 11.677 -41.989 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.564 12.967 -41.116 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.255 13.206 -41.616 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.100 10.323 -40.919 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.075 11.756 -40.516 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.602 10.613 -39.236 1.00 0.00 H new ATOM 230 N SER A 16 3.194 12.182 -36.720 1.00 0.00 N ATOM 231 CA SER A 16 1.773 12.361 -37.089 1.00 0.00 C ATOM 232 C SER A 16 1.171 13.729 -36.702 1.00 0.00 C ATOM 233 O SER A 16 -0.019 13.955 -36.930 1.00 0.00 O ATOM 234 CB SER A 16 0.949 11.202 -36.509 1.00 0.00 C ATOM 235 OG SER A 16 1.148 11.075 -35.105 1.00 0.00 O ATOM 0 H SER A 16 3.281 11.822 -35.770 1.00 0.00 H new ATOM 0 HA SER A 16 1.730 12.348 -38.178 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.109 11.367 -36.715 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.229 10.272 -37.003 1.00 0.00 H new ATOM 0 HG SER A 16 0.885 10.176 -34.817 1.00 0.00 H new ATOM 241 N TYR A 17 1.983 14.638 -36.140 1.00 0.00 N ATOM 242 CA TYR A 17 1.612 15.978 -35.648 1.00 0.00 C ATOM 243 C TYR A 17 0.332 16.026 -34.773 1.00 0.00 C ATOM 244 O TYR A 17 -0.058 15.029 -34.163 1.00 0.00 O ATOM 245 CB TYR A 17 1.718 17.037 -36.772 1.00 0.00 C ATOM 246 CG TYR A 17 0.866 16.856 -38.016 1.00 0.00 C ATOM 247 CD1 TYR A 17 1.372 16.122 -39.108 1.00 0.00 C ATOM 248 CD2 TYR A 17 -0.389 17.489 -38.122 1.00 0.00 C ATOM 249 CE1 TYR A 17 0.612 15.983 -40.286 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.146 17.367 -39.305 1.00 0.00 C ATOM 251 CZ TYR A 17 -0.652 16.605 -40.386 1.00 0.00 C ATOM 252 OH TYR A 17 -1.379 16.477 -41.531 1.00 0.00 O ATOM 0 H TYR A 17 2.976 14.448 -36.008 1.00 0.00 H new ATOM 0 HA TYR A 17 2.362 16.265 -34.912 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.472 18.007 -36.339 1.00 0.00 H new ATOM 0 HB3 TYR A 17 2.760 17.084 -37.087 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.348 15.664 -39.041 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.772 18.069 -37.295 1.00 0.00 H new ATOM 0 HE1 TYR A 17 0.995 15.402 -41.111 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.105 17.857 -39.384 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.225 16.963 -41.438 1.00 0.00 H new ATOM 262 N GLU A 18 -0.294 17.198 -34.630 1.00 0.00 N ATOM 263 CA GLU A 18 -1.439 17.474 -33.737 1.00 0.00 C ATOM 264 C GLU A 18 -2.792 16.828 -34.144 1.00 0.00 C ATOM 265 O GLU A 18 -3.857 17.270 -33.701 1.00 0.00 O ATOM 266 CB GLU A 18 -1.561 18.997 -33.526 1.00 0.00 C ATOM 267 CG GLU A 18 -1.867 19.779 -34.816 1.00 0.00 C ATOM 268 CD GLU A 18 -2.352 21.214 -34.521 1.00 0.00 C ATOM 269 OE1 GLU A 18 -1.684 21.956 -33.761 1.00 0.00 O ATOM 270 OE2 GLU A 18 -3.408 21.622 -35.066 1.00 0.00 O ATOM 0 H GLU A 18 -0.008 18.024 -35.156 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.212 16.976 -32.794 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.349 19.192 -32.798 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.631 19.371 -33.097 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.972 19.819 -35.436 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.628 19.250 -35.389 1.00 0.00 H new ATOM 277 N THR A 19 -2.782 15.795 -34.994 1.00 0.00 N ATOM 278 CA THR A 19 -3.984 15.078 -35.462 1.00 0.00 C ATOM 279 C THR A 19 -4.643 14.229 -34.367 1.00 0.00 C ATOM 280 O THR A 19 -3.987 13.800 -33.415 1.00 0.00 O ATOM 281 CB THR A 19 -3.665 14.159 -36.654 1.00 0.00 C ATOM 282 OG1 THR A 19 -2.668 13.224 -36.307 1.00 0.00 O ATOM 283 CG2 THR A 19 -3.184 14.927 -37.881 1.00 0.00 C ATOM 0 H THR A 19 -1.918 15.422 -35.388 1.00 0.00 H new ATOM 0 HA THR A 19 -4.681 15.860 -35.763 1.00 0.00 H new ATOM 0 HB THR A 19 -4.600 13.657 -36.902 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.791 13.565 -36.580 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.974 14.227 -38.690 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.957 15.627 -38.198 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.276 15.477 -37.633 1.00 0.00 H new ATOM 291 N ASP A 20 -5.932 13.915 -34.527 1.00 0.00 N ATOM 292 CA ASP A 20 -6.658 12.931 -33.709 1.00 0.00 C ATOM 293 C ASP A 20 -7.590 12.067 -34.588 1.00 0.00 C ATOM 294 O ASP A 20 -8.149 12.556 -35.575 1.00 0.00 O ATOM 295 CB ASP A 20 -7.423 13.648 -32.586 1.00 0.00 C ATOM 296 CG ASP A 20 -7.867 12.664 -31.497 1.00 0.00 C ATOM 297 OD1 ASP A 20 -8.830 11.903 -31.742 1.00 0.00 O ATOM 298 OD2 ASP A 20 -7.232 12.635 -30.420 1.00 0.00 O ATOM 0 H ASP A 20 -6.515 14.346 -35.244 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.942 12.252 -33.245 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.790 14.419 -32.146 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.296 14.152 -33.002 1.00 0.00 H new ATOM 303 N ARG A 21 -7.743 10.777 -34.250 1.00 0.00 N ATOM 304 CA ARG A 21 -8.533 9.797 -35.024 1.00 0.00 C ATOM 305 C ARG A 21 -10.016 9.731 -34.617 1.00 0.00 C ATOM 306 O ARG A 21 -10.842 9.288 -35.415 1.00 0.00 O ATOM 307 CB ARG A 21 -7.829 8.427 -34.932 1.00 0.00 C ATOM 308 CG ARG A 21 -8.320 7.428 -35.997 1.00 0.00 C ATOM 309 CD ARG A 21 -7.539 6.108 -35.981 1.00 0.00 C ATOM 310 NE ARG A 21 -6.146 6.273 -36.448 1.00 0.00 N ATOM 311 CZ ARG A 21 -5.274 5.307 -36.677 1.00 0.00 C ATOM 312 NH1 ARG A 21 -5.568 4.048 -36.504 1.00 0.00 N ATOM 313 NH2 ARG A 21 -4.072 5.590 -37.091 1.00 0.00 N ATOM 0 H ARG A 21 -7.315 10.375 -33.416 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.567 10.125 -36.063 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.754 8.569 -35.042 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.995 8.005 -33.941 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.378 7.221 -35.834 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.233 7.884 -36.983 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.535 5.704 -34.969 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.048 5.380 -36.613 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.826 7.228 -36.610 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.498 3.781 -36.181 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.868 3.330 -36.691 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.799 6.562 -37.240 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.403 4.840 -37.266 1.00 0.00 H new ATOM 327 N ASN A 22 -10.362 10.167 -33.403 1.00 0.00 N ATOM 328 CA ASN A 22 -11.713 10.088 -32.831 1.00 0.00 C ATOM 329 C ASN A 22 -12.360 11.474 -32.643 1.00 0.00 C ATOM 330 O ASN A 22 -13.555 11.642 -32.898 1.00 0.00 O ATOM 331 CB ASN A 22 -11.617 9.326 -31.498 1.00 0.00 C ATOM 332 CG ASN A 22 -12.983 9.052 -30.889 1.00 0.00 C ATOM 333 OD1 ASN A 22 -13.620 8.048 -31.175 1.00 0.00 O ATOM 334 ND2 ASN A 22 -13.492 9.929 -30.053 1.00 0.00 N ATOM 0 H ASN A 22 -9.690 10.599 -32.769 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.364 9.557 -33.525 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.098 8.381 -31.659 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.017 9.904 -30.794 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.414 9.770 -29.646 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.965 10.768 -29.811 1.00 0.00 H new ATOM 341 N HIS A 23 -11.578 12.459 -32.195 1.00 0.00 N ATOM 342 CA HIS A 23 -12.030 13.812 -31.853 1.00 0.00 C ATOM 343 C HIS A 23 -11.938 14.784 -33.043 1.00 0.00 C ATOM 344 O HIS A 23 -11.199 14.554 -34.002 1.00 0.00 O ATOM 345 CB HIS A 23 -11.224 14.327 -30.647 1.00 0.00 C ATOM 346 CG HIS A 23 -11.302 13.476 -29.396 1.00 0.00 C ATOM 347 ND1 HIS A 23 -12.318 12.570 -29.062 1.00 0.00 N ATOM 348 CD2 HIS A 23 -10.408 13.523 -28.366 1.00 0.00 C ATOM 349 CE1 HIS A 23 -12.008 12.098 -27.841 1.00 0.00 C ATOM 350 NE2 HIS A 23 -10.867 12.655 -27.400 1.00 0.00 N ATOM 0 H HIS A 23 -10.576 12.333 -32.055 1.00 0.00 H new ATOM 0 HA HIS A 23 -13.086 13.760 -31.589 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -10.178 14.413 -30.942 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.570 15.332 -30.404 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.513 14.125 -28.318 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -12.593 11.374 -27.293 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.418 12.467 -26.504 1.00 0.00 H new ATOM 358 N ASP A 24 -12.664 15.902 -32.958 1.00 0.00 N ATOM 359 CA ASP A 24 -12.655 17.004 -33.934 1.00 0.00 C ATOM 360 C ASP A 24 -12.500 18.371 -33.242 1.00 0.00 C ATOM 361 O ASP A 24 -12.841 18.530 -32.067 1.00 0.00 O ATOM 362 CB ASP A 24 -13.940 16.985 -34.778 1.00 0.00 C ATOM 363 CG ASP A 24 -13.973 15.821 -35.781 1.00 0.00 C ATOM 364 OD1 ASP A 24 -13.268 15.896 -36.816 1.00 0.00 O ATOM 365 OD2 ASP A 24 -14.736 14.847 -35.564 1.00 0.00 O ATOM 0 H ASP A 24 -13.300 16.075 -32.179 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.795 16.857 -34.588 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.803 16.914 -34.116 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.029 17.928 -35.318 1.00 0.00 H new ATOM 370 N LEU A 25 -12.007 19.364 -33.990 1.00 0.00 N ATOM 371 CA LEU A 25 -11.822 20.753 -33.550 1.00 0.00 C ATOM 372 C LEU A 25 -12.456 21.745 -34.543 1.00 0.00 C ATOM 373 O LEU A 25 -12.499 21.498 -35.752 1.00 0.00 O ATOM 374 CB LEU A 25 -10.318 21.048 -33.361 1.00 0.00 C ATOM 375 CG LEU A 25 -9.622 20.247 -32.242 1.00 0.00 C ATOM 376 CD1 LEU A 25 -8.120 20.535 -32.266 1.00 0.00 C ATOM 377 CD2 LEU A 25 -10.145 20.609 -30.849 1.00 0.00 C ATOM 0 H LEU A 25 -11.714 19.217 -34.956 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.330 20.882 -32.594 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.805 20.847 -34.301 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.197 22.111 -33.153 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.833 19.194 -32.430 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.628 19.969 -31.475 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.709 20.242 -33.232 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.951 21.600 -32.108 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.622 20.016 -30.099 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.973 21.669 -30.660 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.213 20.400 -30.796 1.00 0.00 H new ATOM 389 N ALA A 26 -12.925 22.880 -34.022 1.00 0.00 N ATOM 390 CA ALA A 26 -13.534 23.984 -34.773 1.00 0.00 C ATOM 391 C ALA A 26 -13.145 25.359 -34.172 1.00 0.00 C ATOM 392 O ALA A 26 -12.705 25.410 -33.016 1.00 0.00 O ATOM 393 CB ALA A 26 -15.058 23.774 -34.772 1.00 0.00 C ATOM 0 H ALA A 26 -12.890 23.065 -33.020 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.164 23.986 -35.798 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.537 24.582 -35.325 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.294 22.821 -35.245 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.424 23.770 -33.745 1.00 0.00 H new ATOM 399 N PRO A 27 -13.307 26.480 -34.909 1.00 0.00 N ATOM 400 CA PRO A 27 -13.018 27.820 -34.410 1.00 0.00 C ATOM 401 C PRO A 27 -13.904 28.192 -33.215 1.00 0.00 C ATOM 402 O PRO A 27 -15.091 27.852 -33.150 1.00 0.00 O ATOM 403 CB PRO A 27 -13.206 28.785 -35.589 1.00 0.00 C ATOM 404 CG PRO A 27 -13.094 27.873 -36.808 1.00 0.00 C ATOM 405 CD PRO A 27 -13.728 26.585 -36.291 1.00 0.00 C ATOM 0 HA PRO A 27 -11.996 27.874 -34.034 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.173 29.286 -35.549 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.443 29.564 -35.597 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.627 28.274 -37.670 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.059 27.725 -37.115 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.815 26.622 -36.369 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.396 25.723 -36.870 1.00 0.00 H new ATOM 413 N ARG A 28 -13.288 28.878 -32.253 1.00 0.00 N ATOM 414 CA ARG A 28 -13.875 29.233 -30.950 1.00 0.00 C ATOM 415 C ARG A 28 -13.515 30.638 -30.435 1.00 0.00 C ATOM 416 O ARG A 28 -12.612 31.297 -30.948 1.00 0.00 O ATOM 417 CB ARG A 28 -13.552 28.113 -29.944 1.00 0.00 C ATOM 418 CG ARG A 28 -12.060 27.980 -29.604 1.00 0.00 C ATOM 419 CD ARG A 28 -11.844 26.866 -28.574 1.00 0.00 C ATOM 420 NE ARG A 28 -10.417 26.724 -28.223 1.00 0.00 N ATOM 421 CZ ARG A 28 -9.907 25.923 -27.304 1.00 0.00 C ATOM 422 NH1 ARG A 28 -10.648 25.122 -26.591 1.00 0.00 N ATOM 423 NH2 ARG A 28 -8.624 25.911 -27.081 1.00 0.00 N ATOM 0 H ARG A 28 -12.332 29.217 -32.358 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.955 29.304 -31.082 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.107 28.296 -29.024 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.907 27.165 -30.348 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.492 27.763 -30.509 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.684 28.925 -29.211 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.421 27.083 -27.675 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.217 25.923 -28.973 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.758 27.303 -28.743 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.658 25.099 -26.734 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.218 24.518 -25.891 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.007 26.522 -27.617 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.236 25.291 -26.370 1.00 0.00 H new ATOM 437 N GLN A 29 -14.248 31.072 -29.409 1.00 0.00 N ATOM 438 CA GLN A 29 -14.232 32.393 -28.771 1.00 0.00 C ATOM 439 C GLN A 29 -14.192 32.218 -27.247 1.00 0.00 C ATOM 440 O GLN A 29 -15.197 31.906 -26.608 1.00 0.00 O ATOM 441 CB GLN A 29 -15.498 33.192 -29.137 1.00 0.00 C ATOM 442 CG GLN A 29 -15.764 33.361 -30.643 1.00 0.00 C ATOM 443 CD GLN A 29 -17.158 32.875 -31.015 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.968 33.581 -31.598 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.466 31.643 -30.674 1.00 0.00 N ATOM 0 H GLN A 29 -14.928 30.456 -28.963 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.353 32.934 -29.121 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.360 32.699 -28.687 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.425 34.181 -28.686 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.657 34.410 -30.918 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.019 32.805 -31.211 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.783 31.062 -30.188 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.388 31.268 -30.896 1.00 0.00 H new ATOM 454 N ILE A 30 -13.022 32.405 -26.650 1.00 0.00 N ATOM 455 CA ILE A 30 -12.839 32.413 -25.201 1.00 0.00 C ATOM 456 C ILE A 30 -13.271 33.783 -24.667 1.00 0.00 C ATOM 457 O ILE A 30 -12.579 34.788 -24.850 1.00 0.00 O ATOM 458 CB ILE A 30 -11.385 32.053 -24.831 1.00 0.00 C ATOM 459 CG1 ILE A 30 -10.986 30.602 -25.182 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.179 32.198 -23.310 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.159 30.111 -26.623 1.00 0.00 C ATOM 0 H ILE A 30 -12.156 32.558 -27.167 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.461 31.651 -24.731 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.768 32.738 -25.413 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.937 30.476 -24.915 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.561 29.938 -24.537 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.150 31.942 -23.056 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.381 33.227 -23.012 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.860 31.528 -22.785 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.832 29.074 -26.696 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.209 30.182 -26.908 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.559 30.728 -27.292 1.00 0.00 H new ATOM 473 N ALA A 31 -14.414 33.805 -23.988 1.00 0.00 N ATOM 474 CA ALA A 31 -14.861 34.918 -23.155 1.00 0.00 C ATOM 475 C ALA A 31 -14.516 34.666 -21.679 1.00 0.00 C ATOM 476 O ALA A 31 -14.295 33.526 -21.259 1.00 0.00 O ATOM 477 CB ALA A 31 -16.362 35.128 -23.380 1.00 0.00 C ATOM 0 H ALA A 31 -15.074 33.027 -24.002 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.340 35.833 -23.437 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.710 35.957 -22.764 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.544 35.355 -24.430 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.901 34.221 -23.106 1.00 0.00 H new ATOM 483 N ARG A 32 -14.493 35.729 -20.874 1.00 0.00 N ATOM 484 CA ARG A 32 -14.347 35.670 -19.411 1.00 0.00 C ATOM 485 C ARG A 32 -15.623 36.136 -18.719 1.00 0.00 C ATOM 486 O ARG A 32 -16.333 36.991 -19.249 1.00 0.00 O ATOM 487 CB ARG A 32 -13.112 36.473 -18.961 1.00 0.00 C ATOM 488 CG ARG A 32 -11.924 35.537 -18.734 1.00 0.00 C ATOM 489 CD ARG A 32 -10.663 36.288 -18.305 1.00 0.00 C ATOM 490 NE ARG A 32 -9.618 35.344 -17.860 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.329 35.585 -17.730 1.00 0.00 C ATOM 492 NH1 ARG A 32 -7.825 36.748 -18.018 1.00 0.00 N ATOM 493 NH2 ARG A 32 -7.538 34.644 -17.307 1.00 0.00 N ATOM 0 H ARG A 32 -14.577 36.682 -21.227 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.186 34.634 -19.114 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.858 37.217 -19.716 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.337 37.015 -18.043 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.184 34.803 -17.971 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.720 34.984 -19.651 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.290 36.886 -19.136 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.903 36.980 -17.497 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.929 34.401 -17.627 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.431 37.498 -18.353 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.824 36.911 -17.909 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.916 33.725 -17.078 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.539 34.825 -17.204 1.00 0.00 H new ATOM 507 N TYR A 33 -15.878 35.613 -17.519 1.00 0.00 N ATOM 508 CA TYR A 33 -17.005 36.006 -16.669 1.00 0.00 C ATOM 509 C TYR A 33 -16.607 36.055 -15.184 1.00 0.00 C ATOM 510 O TYR A 33 -15.835 35.220 -14.714 1.00 0.00 O ATOM 511 CB TYR A 33 -18.192 35.061 -16.859 1.00 0.00 C ATOM 512 CG TYR A 33 -18.769 34.985 -18.252 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.145 34.196 -19.236 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.959 35.671 -18.548 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.731 34.070 -20.506 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.546 35.548 -19.817 1.00 0.00 C ATOM 517 CZ TYR A 33 -19.959 34.707 -20.780 1.00 0.00 C ATOM 518 OH TYR A 33 -20.617 34.458 -21.937 1.00 0.00 O ATOM 0 H TYR A 33 -15.295 34.888 -17.101 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.300 37.009 -16.976 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.883 34.059 -16.561 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.985 35.366 -16.176 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.218 33.689 -19.015 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.423 36.294 -17.798 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.242 33.486 -21.272 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.445 36.097 -20.053 1.00 0.00 H new ATOM 0 HH TYR A 33 -20.289 33.620 -22.326 1.00 0.00 H new ATOM 528 N ARG A 34 -17.141 37.041 -14.454 1.00 0.00 N ATOM 529 CA ARG A 34 -16.863 37.347 -13.041 1.00 0.00 C ATOM 530 C ARG A 34 -18.070 37.017 -12.167 1.00 0.00 C ATOM 531 O ARG A 34 -19.162 37.525 -12.418 1.00 0.00 O ATOM 532 CB ARG A 34 -16.476 38.833 -12.933 1.00 0.00 C ATOM 533 CG ARG A 34 -16.047 39.243 -11.517 1.00 0.00 C ATOM 534 CD ARG A 34 -15.559 40.694 -11.531 1.00 0.00 C ATOM 535 NE ARG A 34 -15.225 41.178 -10.177 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.029 41.275 -9.618 1.00 0.00 C ATOM 537 NH1 ARG A 34 -12.924 40.935 -10.218 1.00 0.00 N ATOM 538 NH2 ARG A 34 -13.921 41.732 -8.403 1.00 0.00 N ATOM 0 H ARG A 34 -17.820 37.687 -14.856 1.00 0.00 H new ATOM 0 HA ARG A 34 -16.037 36.733 -12.682 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.662 39.042 -13.627 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.323 39.446 -13.241 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.884 39.136 -10.827 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.254 38.585 -11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.681 40.775 -12.172 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.330 41.332 -11.964 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.013 41.474 -9.601 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.952 40.571 -11.171 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.031 41.033 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -14.755 42.013 -7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.002 41.809 -7.967 1.00 0.00 H new ATOM 552 N THR A 35 -17.874 36.183 -11.153 1.00 0.00 N ATOM 553 CA THR A 35 -18.923 35.702 -10.236 1.00 0.00 C ATOM 554 C THR A 35 -19.233 36.728 -9.147 1.00 0.00 C ATOM 555 O THR A 35 -18.591 37.777 -9.043 1.00 0.00 O ATOM 556 CB THR A 35 -18.548 34.379 -9.561 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.409 34.561 -8.774 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.296 33.252 -10.542 1.00 0.00 C ATOM 0 H THR A 35 -16.953 35.805 -10.931 1.00 0.00 H new ATOM 0 HA THR A 35 -19.805 35.545 -10.857 1.00 0.00 H new ATOM 0 HB THR A 35 -19.404 34.088 -8.952 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.643 34.766 -9.350 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.035 32.346 -9.996 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.196 33.075 -11.131 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.475 33.524 -11.206 1.00 0.00 H new ATOM 566 N ASP A 36 -20.185 36.403 -8.271 1.00 0.00 N ATOM 567 CA ASP A 36 -20.606 37.296 -7.196 1.00 0.00 C ATOM 568 C ASP A 36 -19.571 37.445 -6.063 1.00 0.00 C ATOM 569 O ASP A 36 -19.630 38.428 -5.321 1.00 0.00 O ATOM 570 CB ASP A 36 -21.977 36.838 -6.677 1.00 0.00 C ATOM 571 CG ASP A 36 -22.626 37.862 -5.729 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.967 38.980 -6.188 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.836 37.541 -4.534 1.00 0.00 O ATOM 0 H ASP A 36 -20.684 35.514 -8.289 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.689 38.300 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.641 36.661 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.865 35.887 -6.156 1.00 0.00 H new ATOM 578 N ASN A 37 -18.576 36.546 -5.962 1.00 0.00 N ATOM 579 CA ASN A 37 -17.449 36.739 -5.033 1.00 0.00 C ATOM 580 C ASN A 37 -16.251 37.475 -5.686 1.00 0.00 C ATOM 581 O ASN A 37 -15.194 37.612 -5.067 1.00 0.00 O ATOM 582 CB ASN A 37 -17.012 35.418 -4.386 1.00 0.00 C ATOM 583 CG ASN A 37 -18.112 34.439 -4.024 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.179 34.776 -3.528 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.851 33.173 -4.245 1.00 0.00 N ATOM 0 H ASN A 37 -18.529 35.685 -6.508 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.817 37.390 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.322 34.918 -5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.453 35.652 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.540 32.461 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.959 32.901 -4.659 1.00 0.00 H new ATOM 592 N GLY A 38 -16.385 37.898 -6.950 1.00 0.00 N ATOM 593 CA GLY A 38 -15.290 38.396 -7.794 1.00 0.00 C ATOM 594 C GLY A 38 -14.431 37.311 -8.438 1.00 0.00 C ATOM 595 O GLY A 38 -13.386 37.626 -9.009 1.00 0.00 O ATOM 0 H GLY A 38 -17.286 37.903 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.713 39.020 -8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.648 39.037 -7.190 1.00 0.00 H new ATOM 599 N GLU A 39 -14.830 36.041 -8.343 1.00 0.00 N ATOM 600 CA GLU A 39 -14.061 34.928 -8.919 1.00 0.00 C ATOM 601 C GLU A 39 -14.243 34.942 -10.443 1.00 0.00 C ATOM 602 O GLU A 39 -15.369 34.843 -10.929 1.00 0.00 O ATOM 603 CB GLU A 39 -14.478 33.567 -8.321 1.00 0.00 C ATOM 604 CG GLU A 39 -14.825 33.630 -6.828 1.00 0.00 C ATOM 605 CD GLU A 39 -14.559 32.353 -6.011 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.561 31.631 -6.252 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.350 32.106 -5.067 1.00 0.00 O ATOM 0 H GLU A 39 -15.687 35.753 -7.870 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.008 35.061 -8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.340 33.188 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.668 32.852 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.259 34.447 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.881 33.883 -6.733 1.00 0.00 H new ATOM 614 N GLU A 40 -13.159 35.084 -11.200 1.00 0.00 N ATOM 615 CA GLU A 40 -13.193 35.170 -12.668 1.00 0.00 C ATOM 616 C GLU A 40 -12.776 33.851 -13.333 1.00 0.00 C ATOM 617 O GLU A 40 -11.723 33.284 -13.025 1.00 0.00 O ATOM 618 CB GLU A 40 -12.297 36.317 -13.168 1.00 0.00 C ATOM 619 CG GLU A 40 -12.968 37.675 -12.936 1.00 0.00 C ATOM 620 CD GLU A 40 -12.098 38.882 -13.336 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.232 38.770 -14.238 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.304 39.967 -12.742 1.00 0.00 O ATOM 0 H GLU A 40 -12.217 35.144 -10.812 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.226 35.373 -12.951 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.338 36.287 -12.650 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.090 36.186 -14.230 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.900 37.709 -13.501 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.231 37.763 -11.882 1.00 0.00 H new ATOM 629 N PHE A 41 -13.600 33.387 -14.278 1.00 0.00 N ATOM 630 CA PHE A 41 -13.404 32.152 -15.048 1.00 0.00 C ATOM 631 C PHE A 41 -13.529 32.389 -16.557 1.00 0.00 C ATOM 632 O PHE A 41 -14.099 33.387 -16.998 1.00 0.00 O ATOM 633 CB PHE A 41 -14.425 31.104 -14.593 1.00 0.00 C ATOM 634 CG PHE A 41 -14.263 30.669 -13.148 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.906 31.362 -12.101 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.429 29.576 -12.843 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.707 30.952 -10.776 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.221 29.180 -11.512 1.00 0.00 C ATOM 639 CZ PHE A 41 -13.859 29.874 -10.474 1.00 0.00 C ATOM 0 H PHE A 41 -14.455 33.879 -14.538 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.392 31.794 -14.860 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.429 31.507 -14.730 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.342 30.228 -15.237 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.547 32.203 -12.319 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.944 29.036 -13.642 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.213 31.472 -9.976 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.573 28.345 -11.289 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.699 29.581 -9.447 1.00 0.00 H new ATOM 649 N GLU A 42 -13.029 31.445 -17.357 1.00 0.00 N ATOM 650 CA GLU A 42 -13.044 31.499 -18.818 1.00 0.00 C ATOM 651 C GLU A 42 -14.015 30.467 -19.399 1.00 0.00 C ATOM 652 O GLU A 42 -14.003 29.295 -19.009 1.00 0.00 O ATOM 653 CB GLU A 42 -11.641 31.275 -19.415 1.00 0.00 C ATOM 654 CG GLU A 42 -10.533 32.119 -18.773 1.00 0.00 C ATOM 655 CD GLU A 42 -9.791 31.498 -17.574 1.00 0.00 C ATOM 656 OE1 GLU A 42 -10.005 30.307 -17.232 1.00 0.00 O ATOM 657 OE2 GLU A 42 -8.980 32.241 -16.968 1.00 0.00 O ATOM 0 H GLU A 42 -12.590 30.598 -16.995 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.379 32.500 -19.090 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.382 30.221 -19.314 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.675 31.495 -20.482 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.797 32.355 -19.542 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.970 33.064 -18.449 1.00 0.00 H new ATOM 664 N VAL A 43 -14.829 30.897 -20.361 1.00 0.00 N ATOM 665 CA VAL A 43 -15.802 30.056 -21.070 1.00 0.00 C ATOM 666 C VAL A 43 -15.505 30.071 -22.580 1.00 0.00 C ATOM 667 O VAL A 43 -15.699 31.104 -23.228 1.00 0.00 O ATOM 668 CB VAL A 43 -17.247 30.497 -20.783 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.245 29.518 -21.411 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.552 30.604 -19.282 1.00 0.00 C ATOM 0 H VAL A 43 -14.833 31.866 -20.680 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.703 29.034 -20.704 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.351 31.488 -21.224 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.262 29.847 -21.197 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.094 29.486 -22.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.090 28.523 -20.994 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.586 30.919 -19.142 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.402 29.633 -18.810 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.885 31.336 -18.826 1.00 0.00 H new ATOM 680 N PRO A 44 -15.026 28.956 -23.163 1.00 0.00 N ATOM 681 CA PRO A 44 -14.854 28.810 -24.608 1.00 0.00 C ATOM 682 C PRO A 44 -16.194 28.526 -25.317 1.00 0.00 C ATOM 683 O PRO A 44 -16.847 27.510 -25.066 1.00 0.00 O ATOM 684 CB PRO A 44 -13.840 27.672 -24.779 1.00 0.00 C ATOM 685 CG PRO A 44 -14.029 26.810 -23.530 1.00 0.00 C ATOM 686 CD PRO A 44 -14.499 27.794 -22.457 1.00 0.00 C ATOM 0 HA PRO A 44 -14.493 29.728 -25.071 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.030 27.102 -25.689 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.821 28.053 -24.849 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.765 26.023 -23.698 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.099 26.320 -23.240 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.265 27.343 -21.826 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.674 28.078 -21.803 1.00 0.00 H new ATOM 694 N PHE A 45 -16.580 29.410 -26.239 1.00 0.00 N ATOM 695 CA PHE A 45 -17.751 29.290 -27.125 1.00 0.00 C ATOM 696 C PHE A 45 -17.345 28.882 -28.539 1.00 0.00 C ATOM 697 O PHE A 45 -16.372 29.403 -29.071 1.00 0.00 O ATOM 698 CB PHE A 45 -18.487 30.633 -27.193 1.00 0.00 C ATOM 699 CG PHE A 45 -19.312 30.934 -25.963 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.690 31.462 -24.819 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.697 30.677 -25.956 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.450 31.732 -23.672 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.456 30.954 -24.805 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.830 31.478 -23.661 1.00 0.00 C ATOM 0 H PHE A 45 -16.062 30.274 -26.400 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.400 28.518 -26.712 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.758 31.431 -27.335 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.138 30.637 -28.067 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.628 31.660 -24.823 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.175 30.268 -26.834 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -18.971 32.137 -22.793 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.519 30.764 -24.800 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.411 31.685 -22.774 1.00 0.00 H new ATOM 714 N ALA A 46 -18.125 28.036 -29.201 1.00 0.00 N ATOM 715 CA ALA A 46 -17.892 27.650 -30.596 1.00 0.00 C ATOM 716 C ALA A 46 -18.418 28.723 -31.567 1.00 0.00 C ATOM 717 O ALA A 46 -19.300 29.505 -31.216 1.00 0.00 O ATOM 718 CB ALA A 46 -18.538 26.281 -30.844 1.00 0.00 C ATOM 0 H ALA A 46 -18.944 27.593 -28.786 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.821 27.571 -30.781 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.372 25.982 -31.879 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.093 25.543 -30.177 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.609 26.344 -30.652 1.00 0.00 H new ATOM 724 N ASP A 47 -17.917 28.746 -32.803 1.00 0.00 N ATOM 725 CA ASP A 47 -18.329 29.688 -33.863 1.00 0.00 C ATOM 726 C ASP A 47 -19.831 29.602 -34.224 1.00 0.00 C ATOM 727 O ASP A 47 -20.407 30.551 -34.761 1.00 0.00 O ATOM 728 CB ASP A 47 -17.447 29.433 -35.094 1.00 0.00 C ATOM 729 CG ASP A 47 -17.711 30.426 -36.238 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.354 31.621 -36.099 1.00 0.00 O ATOM 731 OD2 ASP A 47 -18.234 30.007 -37.300 1.00 0.00 O ATOM 0 H ASP A 47 -17.194 28.095 -33.110 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.190 30.702 -33.489 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.399 29.494 -34.802 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.619 28.419 -35.454 1.00 0.00 H new ATOM 736 N ASP A 48 -20.488 28.484 -33.890 1.00 0.00 N ATOM 737 CA ASP A 48 -21.943 28.297 -34.009 1.00 0.00 C ATOM 738 C ASP A 48 -22.753 29.099 -32.960 1.00 0.00 C ATOM 739 O ASP A 48 -23.971 29.252 -33.093 1.00 0.00 O ATOM 740 CB ASP A 48 -22.231 26.793 -33.902 1.00 0.00 C ATOM 741 CG ASP A 48 -23.688 26.434 -34.243 1.00 0.00 C ATOM 742 OD1 ASP A 48 -24.109 26.641 -35.408 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.406 25.898 -33.363 1.00 0.00 O ATOM 0 H ASP A 48 -20.011 27.662 -33.520 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.267 28.687 -34.974 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.563 26.252 -34.572 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.007 26.457 -32.890 1.00 0.00 H new ATOM 748 N ALA A 49 -22.083 29.624 -31.929 1.00 0.00 N ATOM 749 CA ALA A 49 -22.650 30.384 -30.811 1.00 0.00 C ATOM 750 C ALA A 49 -22.062 31.808 -30.695 1.00 0.00 C ATOM 751 O ALA A 49 -20.981 32.102 -31.209 1.00 0.00 O ATOM 752 CB ALA A 49 -22.419 29.581 -29.523 1.00 0.00 C ATOM 0 H ALA A 49 -21.071 29.524 -31.848 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.717 30.523 -30.987 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.833 30.127 -28.675 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.910 28.612 -29.606 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.349 29.434 -29.373 1.00 0.00 H new ATOM 758 N GLU A 50 -22.761 32.688 -29.971 1.00 0.00 N ATOM 759 CA GLU A 50 -22.309 34.044 -29.617 1.00 0.00 C ATOM 760 C GLU A 50 -22.494 34.321 -28.118 1.00 0.00 C ATOM 761 O GLU A 50 -23.478 33.894 -27.514 1.00 0.00 O ATOM 762 CB GLU A 50 -23.049 35.109 -30.444 1.00 0.00 C ATOM 763 CG GLU A 50 -22.558 35.158 -31.893 1.00 0.00 C ATOM 764 CD GLU A 50 -23.347 36.199 -32.711 1.00 0.00 C ATOM 765 OE1 GLU A 50 -22.941 37.387 -32.745 1.00 0.00 O ATOM 766 OE2 GLU A 50 -24.380 35.840 -33.330 1.00 0.00 O ATOM 0 H GLU A 50 -23.687 32.472 -29.602 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.245 34.100 -29.849 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -24.118 34.899 -30.431 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.911 36.086 -29.982 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.496 35.404 -31.912 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -22.665 34.174 -32.350 1.00 0.00 H new ATOM 773 N ILE A 51 -21.538 35.055 -27.542 1.00 0.00 N ATOM 774 CA ILE A 51 -21.365 35.362 -26.115 1.00 0.00 C ATOM 775 C ILE A 51 -22.580 36.123 -25.550 1.00 0.00 C ATOM 776 O ILE A 51 -22.797 37.291 -25.898 1.00 0.00 O ATOM 777 CB ILE A 51 -20.074 36.177 -25.850 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.862 35.737 -26.709 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.702 36.133 -24.354 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.395 34.290 -26.526 1.00 0.00 C ATOM 0 H ILE A 51 -20.805 35.486 -28.105 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.279 34.404 -25.603 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.306 37.199 -26.148 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.114 35.886 -27.759 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.025 36.398 -26.485 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.793 36.711 -24.188 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.515 36.557 -23.764 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.535 35.099 -24.051 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.542 34.098 -27.177 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.102 34.131 -25.488 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.208 33.610 -26.782 1.00 0.00 H new ATOM 792 N PRO A 52 -23.383 35.487 -24.686 1.00 0.00 N ATOM 793 CA PRO A 52 -24.414 36.158 -23.910 1.00 0.00 C ATOM 794 C PRO A 52 -23.792 37.071 -22.838 1.00 0.00 C ATOM 795 O PRO A 52 -22.692 36.826 -22.346 1.00 0.00 O ATOM 796 CB PRO A 52 -25.249 35.025 -23.310 1.00 0.00 C ATOM 797 CG PRO A 52 -24.270 33.859 -23.190 1.00 0.00 C ATOM 798 CD PRO A 52 -23.252 34.096 -24.298 1.00 0.00 C ATOM 0 HA PRO A 52 -25.032 36.821 -24.515 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.658 35.303 -22.339 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.094 34.771 -23.950 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.793 33.842 -22.210 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.776 32.902 -23.315 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.242 33.884 -23.948 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.441 33.437 -25.146 1.00 0.00 H new ATOM 806 N GLY A 53 -24.512 38.127 -22.448 1.00 0.00 N ATOM 807 CA GLY A 53 -24.105 39.083 -21.402 1.00 0.00 C ATOM 808 C GLY A 53 -23.649 38.448 -20.075 1.00 0.00 C ATOM 809 O GLY A 53 -22.789 39.008 -19.389 1.00 0.00 O ATOM 0 H GLY A 53 -25.418 38.351 -22.859 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.293 39.698 -21.790 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.941 39.752 -21.198 1.00 0.00 H new ATOM 813 N THR A 54 -24.183 37.274 -19.718 1.00 0.00 N ATOM 814 CA THR A 54 -23.755 36.491 -18.549 1.00 0.00 C ATOM 815 C THR A 54 -23.758 34.973 -18.811 1.00 0.00 C ATOM 816 O THR A 54 -24.429 34.493 -19.728 1.00 0.00 O ATOM 817 CB THR A 54 -24.681 36.748 -17.342 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.014 36.384 -17.645 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.766 38.216 -16.934 1.00 0.00 C ATOM 0 H THR A 54 -24.938 36.832 -20.242 1.00 0.00 H new ATOM 0 HA THR A 54 -22.736 36.818 -18.341 1.00 0.00 H new ATOM 0 HB THR A 54 -24.243 36.155 -16.539 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.584 36.553 -16.866 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.435 38.318 -16.079 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.774 38.576 -16.663 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.150 38.804 -17.768 1.00 0.00 H new ATOM 827 N TRP A 55 -23.015 34.206 -18.000 1.00 0.00 N ATOM 828 CA TRP A 55 -22.877 32.744 -18.105 1.00 0.00 C ATOM 829 C TRP A 55 -22.434 32.096 -16.778 1.00 0.00 C ATOM 830 O TRP A 55 -21.688 32.692 -16.000 1.00 0.00 O ATOM 831 CB TRP A 55 -21.865 32.411 -19.207 1.00 0.00 C ATOM 832 CG TRP A 55 -21.832 30.979 -19.635 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.024 30.029 -19.123 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.620 30.309 -20.664 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.212 28.839 -19.792 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.198 28.948 -20.749 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.638 30.724 -21.547 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.754 28.047 -21.671 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.209 29.829 -22.472 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.768 28.493 -22.536 1.00 0.00 C ATOM 0 H TRP A 55 -22.476 34.598 -17.228 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.858 32.336 -18.350 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.086 33.028 -20.078 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.870 32.692 -18.861 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.331 30.179 -18.308 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.687 27.985 -19.603 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -23.986 31.746 -21.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.407 27.025 -21.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -24.990 30.169 -23.136 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.209 27.812 -23.249 1.00 0.00 H new ATOM 851 N LEU A 56 -22.868 30.861 -16.502 1.00 0.00 N ATOM 852 CA LEU A 56 -22.530 30.129 -15.275 1.00 0.00 C ATOM 853 C LEU A 56 -21.044 29.716 -15.245 1.00 0.00 C ATOM 854 O LEU A 56 -20.548 29.050 -16.155 1.00 0.00 O ATOM 855 CB LEU A 56 -23.472 28.916 -15.134 1.00 0.00 C ATOM 856 CG LEU A 56 -24.087 28.758 -13.733 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.184 27.694 -13.759 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.051 28.331 -12.698 1.00 0.00 C ATOM 0 H LEU A 56 -23.472 30.334 -17.133 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.675 30.786 -14.418 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.276 29.007 -15.864 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -22.919 28.010 -15.381 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.490 29.732 -13.455 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.613 27.589 -12.763 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.963 27.992 -14.460 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.759 26.741 -14.073 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.530 28.232 -11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.619 27.374 -12.989 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.263 29.082 -12.640 1.00 0.00 H new ATOM 870 N CYS A 57 -20.335 30.099 -14.184 1.00 0.00 N ATOM 871 CA CYS A 57 -18.905 29.846 -14.002 1.00 0.00 C ATOM 872 C CYS A 57 -18.624 28.542 -13.244 1.00 0.00 C ATOM 873 O CYS A 57 -19.496 27.989 -12.568 1.00 0.00 O ATOM 874 CB CYS A 57 -18.284 31.042 -13.274 1.00 0.00 C ATOM 875 SG CYS A 57 -18.236 32.461 -14.389 1.00 0.00 S ATOM 0 H CYS A 57 -20.751 30.609 -13.404 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.453 29.725 -14.986 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.866 31.283 -12.385 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.277 30.795 -12.938 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.711 33.479 -13.774 1.00 0.00 H new ATOM 881 N ARG A 58 -17.364 28.087 -13.292 1.00 0.00 N ATOM 882 CA ARG A 58 -16.925 26.809 -12.696 1.00 0.00 C ATOM 883 C ARG A 58 -17.054 26.763 -11.165 1.00 0.00 C ATOM 884 O ARG A 58 -17.133 25.679 -10.588 1.00 0.00 O ATOM 885 CB ARG A 58 -15.472 26.479 -13.102 1.00 0.00 C ATOM 886 CG ARG A 58 -15.138 26.698 -14.589 1.00 0.00 C ATOM 887 CD ARG A 58 -13.680 26.323 -14.889 1.00 0.00 C ATOM 888 NE ARG A 58 -13.218 26.980 -16.130 1.00 0.00 N ATOM 889 CZ ARG A 58 -12.104 27.666 -16.307 1.00 0.00 C ATOM 890 NH1 ARG A 58 -11.150 27.737 -15.424 1.00 0.00 N ATOM 891 NH2 ARG A 58 -11.922 28.346 -17.393 1.00 0.00 N ATOM 0 H ARG A 58 -16.610 28.599 -13.750 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.604 26.055 -13.096 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.797 27.089 -12.501 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.270 25.438 -12.851 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.806 26.098 -15.207 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.310 27.741 -14.854 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.044 26.620 -14.055 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.590 25.241 -14.989 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.829 26.893 -16.942 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.240 27.245 -14.535 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.312 28.285 -15.621 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.641 28.353 -18.117 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.060 28.875 -17.525 1.00 0.00 H new ATOM 905 N ASN A 59 -17.126 27.930 -10.516 1.00 0.00 N ATOM 906 CA ASN A 59 -17.392 28.075 -9.079 1.00 0.00 C ATOM 907 C ASN A 59 -18.827 27.641 -8.678 1.00 0.00 C ATOM 908 O ASN A 59 -19.114 27.395 -7.506 1.00 0.00 O ATOM 909 CB ASN A 59 -17.126 29.548 -8.725 1.00 0.00 C ATOM 910 CG ASN A 59 -17.336 29.946 -7.271 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.121 29.188 -6.336 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.702 31.187 -7.040 1.00 0.00 N ATOM 0 H ASN A 59 -16.997 28.825 -10.988 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.737 27.410 -8.516 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.098 29.784 -8.998 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.771 30.170 -9.345 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.807 31.518 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.881 31.819 -7.820 1.00 0.00 H new ATOM 919 N GLY A 60 -19.738 27.537 -9.651 1.00 0.00 N ATOM 920 CA GLY A 60 -21.165 27.253 -9.448 1.00 0.00 C ATOM 921 C GLY A 60 -22.022 28.513 -9.267 1.00 0.00 C ATOM 922 O GLY A 60 -23.168 28.414 -8.823 1.00 0.00 O ATOM 0 H GLY A 60 -19.496 27.652 -10.635 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.540 26.688 -10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.279 26.617 -8.570 1.00 0.00 H new ATOM 926 N MET A 61 -21.479 29.692 -9.600 1.00 0.00 N ATOM 927 CA MET A 61 -22.151 30.992 -9.536 1.00 0.00 C ATOM 928 C MET A 61 -22.318 31.604 -10.935 1.00 0.00 C ATOM 929 O MET A 61 -21.474 31.417 -11.813 1.00 0.00 O ATOM 930 CB MET A 61 -21.358 31.903 -8.582 1.00 0.00 C ATOM 931 CG MET A 61 -22.072 33.215 -8.228 1.00 0.00 C ATOM 932 SD MET A 61 -23.751 33.070 -7.552 1.00 0.00 S ATOM 933 CE MET A 61 -23.387 32.360 -5.924 1.00 0.00 C ATOM 0 H MET A 61 -20.519 29.766 -9.935 1.00 0.00 H new ATOM 0 HA MET A 61 -23.161 30.872 -9.145 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.151 31.355 -7.663 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.396 32.137 -9.037 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.459 33.752 -7.505 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.118 33.831 -9.126 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.318 32.208 -5.377 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.879 31.404 -6.049 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.745 33.041 -5.365 1.00 0.00 H new ATOM 943 N GLU A 62 -23.397 32.355 -11.147 1.00 0.00 N ATOM 944 CA GLU A 62 -23.650 33.096 -12.388 1.00 0.00 C ATOM 945 C GLU A 62 -22.631 34.235 -12.550 1.00 0.00 C ATOM 946 O GLU A 62 -22.636 35.208 -11.792 1.00 0.00 O ATOM 947 CB GLU A 62 -25.095 33.623 -12.418 1.00 0.00 C ATOM 948 CG GLU A 62 -26.121 32.486 -12.518 1.00 0.00 C ATOM 949 CD GLU A 62 -27.557 33.041 -12.587 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.191 33.237 -11.521 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.068 33.281 -13.708 1.00 0.00 O ATOM 0 H GLU A 62 -24.134 32.470 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.528 32.418 -13.233 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.287 34.206 -11.517 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.217 34.297 -13.266 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.917 31.884 -13.404 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.023 31.827 -11.656 1.00 0.00 H new ATOM 958 N GLY A 63 -21.726 34.089 -13.520 1.00 0.00 N ATOM 959 CA GLY A 63 -20.719 35.087 -13.868 1.00 0.00 C ATOM 960 C GLY A 63 -21.220 36.108 -14.893 1.00 0.00 C ATOM 961 O GLY A 63 -21.997 35.766 -15.787 1.00 0.00 O ATOM 0 H GLY A 63 -21.674 33.251 -14.099 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.406 35.610 -12.964 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.838 34.583 -14.266 1.00 0.00 H new ATOM 965 N THR A 64 -20.728 37.346 -14.829 1.00 0.00 N ATOM 966 CA THR A 64 -21.019 38.403 -15.818 1.00 0.00 C ATOM 967 C THR A 64 -19.809 38.705 -16.695 1.00 0.00 C ATOM 968 O THR A 64 -18.687 38.742 -16.197 1.00 0.00 O ATOM 969 CB THR A 64 -21.507 39.691 -15.135 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.658 39.416 -14.361 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.879 40.799 -16.129 1.00 0.00 C ATOM 0 H THR A 64 -20.107 37.654 -14.081 1.00 0.00 H new ATOM 0 HA THR A 64 -21.817 38.024 -16.457 1.00 0.00 H new ATOM 0 HB THR A 64 -20.676 40.040 -14.522 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.964 40.239 -13.926 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.215 41.680 -15.583 1.00 0.00 H new ATOM 0 HG22 THR A 64 -21.007 41.056 -16.731 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.679 40.449 -16.781 1.00 0.00 H new ATOM 979 N LEU A 65 -20.034 38.895 -17.998 1.00 0.00 N ATOM 980 CA LEU A 65 -19.004 39.040 -19.031 1.00 0.00 C ATOM 981 C LEU A 65 -18.081 40.254 -18.761 1.00 0.00 C ATOM 982 O LEU A 65 -18.551 41.394 -18.706 1.00 0.00 O ATOM 983 CB LEU A 65 -19.748 39.102 -20.383 1.00 0.00 C ATOM 984 CG LEU A 65 -18.947 38.934 -21.691 1.00 0.00 C ATOM 985 CD1 LEU A 65 -19.872 39.287 -22.859 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.689 39.790 -21.835 1.00 0.00 C ATOM 0 H LEU A 65 -20.979 38.955 -18.378 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.317 38.194 -19.035 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.519 38.331 -20.369 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.259 40.063 -20.432 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.602 37.900 -21.680 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.330 39.177 -23.798 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.733 38.619 -22.856 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.212 40.317 -22.755 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.215 39.582 -22.794 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -17.959 40.845 -21.785 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -16.994 39.555 -21.029 1.00 0.00 H new ATOM 998 N ILE A 66 -16.771 40.011 -18.621 1.00 0.00 N ATOM 999 CA ILE A 66 -15.698 41.018 -18.476 1.00 0.00 C ATOM 1000 C ILE A 66 -14.504 40.715 -19.397 1.00 0.00 C ATOM 1001 O ILE A 66 -14.255 39.562 -19.754 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.207 41.180 -17.011 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.370 40.000 -16.454 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.356 41.543 -16.056 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -15.027 38.638 -16.503 1.00 0.00 C ATOM 0 H ILE A 66 -16.407 39.058 -18.604 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.147 41.965 -18.777 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.511 42.017 -17.061 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.434 39.950 -17.011 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -14.113 40.220 -15.418 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.968 41.647 -15.043 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.806 42.485 -16.370 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.109 40.756 -16.077 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.349 37.892 -16.088 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.948 38.657 -15.920 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.258 38.382 -17.537 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.717 41.736 -19.741 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.404 41.569 -20.385 1.00 0.00 C ATOM 1019 C GLU A 67 -11.294 41.604 -19.315 1.00 0.00 C ATOM 1020 O GLU A 67 -10.845 42.674 -18.897 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.202 42.646 -21.468 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.175 42.482 -22.644 1.00 0.00 C ATOM 1023 CD GLU A 67 -12.924 43.557 -23.721 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -13.517 44.661 -23.635 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -12.139 43.305 -24.668 1.00 0.00 O ATOM 0 H GLU A 67 -13.971 42.711 -19.581 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.356 40.600 -20.882 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.335 43.633 -21.025 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.178 42.598 -21.838 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.060 41.490 -23.081 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.201 42.554 -22.285 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.859 40.425 -18.852 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.877 40.285 -17.759 1.00 0.00 C ATOM 1034 C GLY A 68 -8.404 40.416 -18.185 1.00 0.00 C ATOM 1035 O GLY A 68 -7.542 40.701 -17.354 1.00 0.00 O ATOM 0 H GLY A 68 -11.179 39.532 -19.226 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.089 41.040 -17.002 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.018 39.313 -17.287 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.111 40.227 -19.474 1.00 0.00 N ATOM 1040 CA ASP A 69 -6.822 40.436 -20.135 1.00 0.00 C ATOM 1041 C ASP A 69 -7.089 40.830 -21.598 1.00 0.00 C ATOM 1042 O ASP A 69 -8.076 40.406 -22.207 1.00 0.00 O ATOM 1043 CB ASP A 69 -5.952 39.164 -20.096 1.00 0.00 C ATOM 1044 CG ASP A 69 -5.165 38.990 -18.786 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -4.313 39.857 -18.472 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -5.350 37.954 -18.101 1.00 0.00 O ATOM 0 H ASP A 69 -8.821 39.900 -20.130 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.280 41.223 -19.611 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.591 38.293 -20.243 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.250 39.189 -20.930 1.00 0.00 H new ATOM 1051 N LEU A 70 -6.193 41.635 -22.166 1.00 0.00 N ATOM 1052 CA LEU A 70 -6.214 42.035 -23.579 1.00 0.00 C ATOM 1053 C LEU A 70 -5.821 40.851 -24.496 1.00 0.00 C ATOM 1054 O LEU A 70 -4.982 40.031 -24.106 1.00 0.00 O ATOM 1055 CB LEU A 70 -5.291 43.252 -23.798 1.00 0.00 C ATOM 1056 CG LEU A 70 -5.904 44.621 -23.441 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -6.222 44.792 -21.953 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -4.929 45.730 -23.839 1.00 0.00 C ATOM 0 H LEU A 70 -5.413 42.039 -21.648 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.230 42.326 -23.846 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.387 43.112 -23.205 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.986 43.271 -24.844 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.845 44.679 -23.987 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.650 45.780 -21.784 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.937 44.029 -21.644 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.306 44.688 -21.371 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.359 46.700 -23.588 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.990 45.599 -23.301 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.742 45.683 -24.912 1.00 0.00 H new ATOM 1070 N PRO A 71 -6.361 40.762 -25.731 1.00 0.00 N ATOM 1071 CA PRO A 71 -6.114 39.662 -26.675 1.00 0.00 C ATOM 1072 C PRO A 71 -4.771 39.813 -27.429 1.00 0.00 C ATOM 1073 O PRO A 71 -4.699 39.644 -28.647 1.00 0.00 O ATOM 1074 CB PRO A 71 -7.351 39.667 -27.585 1.00 0.00 C ATOM 1075 CG PRO A 71 -7.665 41.157 -27.698 1.00 0.00 C ATOM 1076 CD PRO A 71 -7.364 41.664 -26.288 1.00 0.00 C ATOM 0 HA PRO A 71 -5.994 38.699 -26.178 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.143 39.220 -28.557 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.179 39.109 -27.149 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.044 41.647 -28.447 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.703 41.333 -27.980 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.993 42.689 -26.315 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -8.266 41.668 -25.676 1.00 0.00 H new ATOM 1084 N GLU A 72 -3.711 40.189 -26.703 1.00 0.00 N ATOM 1085 CA GLU A 72 -2.372 40.561 -27.185 1.00 0.00 C ATOM 1086 C GLU A 72 -2.370 41.369 -28.511 1.00 0.00 C ATOM 1087 O GLU A 72 -1.869 40.879 -29.533 1.00 0.00 O ATOM 1088 CB GLU A 72 -1.499 39.295 -27.221 1.00 0.00 C ATOM 1089 CG GLU A 72 -1.186 38.757 -25.817 1.00 0.00 C ATOM 1090 CD GLU A 72 -0.264 37.524 -25.895 1.00 0.00 C ATOM 1091 OE1 GLU A 72 -0.775 36.381 -25.996 1.00 0.00 O ATOM 1092 OE2 GLU A 72 0.980 37.685 -25.847 1.00 0.00 O ATOM 0 H GLU A 72 -3.770 40.246 -25.686 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.936 41.271 -26.483 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.008 38.523 -27.797 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.565 39.516 -27.739 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.709 39.536 -25.222 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.113 38.491 -25.310 1.00 0.00 H new ATOM 1099 N PRO A 73 -2.936 42.599 -28.536 1.00 0.00 N ATOM 1100 CA PRO A 73 -3.060 43.403 -29.757 1.00 0.00 C ATOM 1101 C PRO A 73 -1.720 43.707 -30.450 1.00 0.00 C ATOM 1102 O PRO A 73 -0.708 43.977 -29.794 1.00 0.00 O ATOM 1103 CB PRO A 73 -3.780 44.694 -29.347 1.00 0.00 C ATOM 1104 CG PRO A 73 -4.560 44.282 -28.102 1.00 0.00 C ATOM 1105 CD PRO A 73 -3.615 43.283 -27.438 1.00 0.00 C ATOM 0 HA PRO A 73 -3.619 42.838 -30.503 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.075 45.497 -29.132 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.441 45.053 -30.135 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.771 45.133 -27.455 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.518 43.828 -28.355 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.900 43.790 -26.790 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.165 42.577 -26.816 1.00 0.00 H new ATOM 1113 N LYS A 74 -1.735 43.699 -31.791 1.00 0.00 N ATOM 1114 CA LYS A 74 -0.554 43.875 -32.668 1.00 0.00 C ATOM 1115 C LYS A 74 -0.796 44.811 -33.869 1.00 0.00 C ATOM 1116 O LYS A 74 -0.177 44.655 -34.923 1.00 0.00 O ATOM 1117 CB LYS A 74 0.021 42.492 -33.044 1.00 0.00 C ATOM 1118 CG LYS A 74 -0.928 41.616 -33.880 1.00 0.00 C ATOM 1119 CD LYS A 74 -0.301 40.249 -34.177 1.00 0.00 C ATOM 1120 CE LYS A 74 -1.266 39.395 -35.008 1.00 0.00 C ATOM 1121 NZ LYS A 74 -0.691 38.057 -35.309 1.00 0.00 N ATOM 0 H LYS A 74 -2.597 43.566 -32.319 1.00 0.00 H new ATOM 0 HA LYS A 74 0.210 44.410 -32.103 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.947 42.636 -33.600 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.278 41.958 -32.129 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.868 41.480 -33.345 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.165 42.122 -34.816 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.637 40.380 -34.716 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.063 39.739 -33.244 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.205 39.275 -34.467 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.498 39.910 -35.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.370 37.506 -35.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.192 38.172 -35.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.492 37.556 -34.419 1.00 0.00 H new ATOM 1135 N LYS A 75 -1.716 45.776 -33.712 1.00 0.00 N ATOM 1136 CA LYS A 75 -2.141 46.766 -34.730 1.00 0.00 C ATOM 1137 C LYS A 75 -2.584 46.114 -36.056 1.00 0.00 C ATOM 1138 O LYS A 75 -2.084 46.431 -37.138 1.00 0.00 O ATOM 1139 CB LYS A 75 -1.066 47.867 -34.858 1.00 0.00 C ATOM 1140 CG LYS A 75 -1.608 49.162 -35.487 1.00 0.00 C ATOM 1141 CD LYS A 75 -0.503 50.227 -35.579 1.00 0.00 C ATOM 1142 CE LYS A 75 -0.981 51.515 -36.266 1.00 0.00 C ATOM 1143 NZ LYS A 75 -1.948 52.282 -35.434 1.00 0.00 N ATOM 0 H LYS A 75 -2.212 45.898 -32.829 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.053 47.261 -34.395 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.662 48.090 -33.870 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.240 47.493 -35.463 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.001 48.952 -36.482 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.437 49.542 -34.891 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.148 50.465 -34.576 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.345 49.819 -36.129 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.120 52.145 -36.489 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.447 51.263 -37.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.239 53.141 -35.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.784 51.694 -35.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.498 52.548 -34.535 1.00 0.00 H new ATOM 1157 N VAL A 76 -3.515 45.161 -35.954 1.00 0.00 N ATOM 1158 CA VAL A 76 -4.105 44.430 -37.094 1.00 0.00 C ATOM 1159 C VAL A 76 -4.997 45.323 -37.973 1.00 0.00 C ATOM 1160 O VAL A 76 -5.500 46.358 -37.524 1.00 0.00 O ATOM 1161 CB VAL A 76 -4.880 43.175 -36.635 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -3.951 42.176 -35.936 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -6.055 43.487 -35.697 1.00 0.00 C ATOM 0 H VAL A 76 -3.894 44.864 -35.055 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.264 44.106 -37.707 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.287 42.743 -37.549 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.524 41.303 -35.624 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.165 41.867 -36.625 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.502 42.647 -35.061 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.552 42.559 -35.416 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.683 43.985 -34.802 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.764 44.139 -36.207 1.00 0.00 H new ATOM 1173 N LYS A 77 -5.222 44.911 -39.229 1.00 0.00 N ATOM 1174 CA LYS A 77 -6.126 45.588 -40.177 1.00 0.00 C ATOM 1175 C LYS A 77 -7.588 45.552 -39.668 1.00 0.00 C ATOM 1176 O LYS A 77 -8.024 44.487 -39.218 1.00 0.00 O ATOM 1177 CB LYS A 77 -5.989 44.913 -41.558 1.00 0.00 C ATOM 1178 CG LYS A 77 -6.692 45.647 -42.712 1.00 0.00 C ATOM 1179 CD LYS A 77 -5.979 46.945 -43.126 1.00 0.00 C ATOM 1180 CE LYS A 77 -6.725 47.597 -44.297 1.00 0.00 C ATOM 1181 NZ LYS A 77 -6.050 48.840 -44.754 1.00 0.00 N ATOM 0 H LYS A 77 -4.774 44.084 -39.624 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.849 46.639 -40.265 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.930 44.821 -41.797 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.390 43.901 -41.493 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.753 44.982 -43.574 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.715 45.880 -42.417 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.937 47.633 -42.282 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.950 46.730 -43.413 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.789 46.892 -45.126 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.747 47.827 -43.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.582 49.253 -45.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.011 49.522 -43.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.084 48.616 -45.066 1.00 0.00 H new ATOM 1195 N PRO A 78 -8.364 46.656 -39.741 1.00 0.00 N ATOM 1196 CA PRO A 78 -9.773 46.671 -39.328 1.00 0.00 C ATOM 1197 C PRO A 78 -10.666 45.695 -40.126 1.00 0.00 C ATOM 1198 O PRO A 78 -10.372 45.413 -41.294 1.00 0.00 O ATOM 1199 CB PRO A 78 -10.245 48.120 -39.504 1.00 0.00 C ATOM 1200 CG PRO A 78 -8.956 48.928 -39.375 1.00 0.00 C ATOM 1201 CD PRO A 78 -7.930 48.014 -40.042 1.00 0.00 C ATOM 0 HA PRO A 78 -9.857 46.329 -38.296 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.720 48.273 -40.473 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.974 48.401 -38.743 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.029 49.892 -39.878 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.705 49.129 -38.334 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.893 48.185 -41.118 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.928 48.201 -39.655 1.00 0.00 H new ATOM 1209 N PRO A 79 -11.772 45.193 -39.536 1.00 0.00 N ATOM 1210 CA PRO A 79 -12.716 44.297 -40.210 1.00 0.00 C ATOM 1211 C PRO A 79 -13.540 45.014 -41.305 1.00 0.00 C ATOM 1212 O PRO A 79 -13.670 46.241 -41.300 1.00 0.00 O ATOM 1213 CB PRO A 79 -13.607 43.745 -39.090 1.00 0.00 C ATOM 1214 CG PRO A 79 -13.622 44.878 -38.066 1.00 0.00 C ATOM 1215 CD PRO A 79 -12.208 45.446 -38.168 1.00 0.00 C ATOM 0 HA PRO A 79 -12.195 43.503 -40.745 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.610 43.514 -39.450 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.200 42.826 -38.668 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.377 45.628 -38.303 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -13.840 44.513 -37.062 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -12.199 46.513 -37.947 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -11.542 44.966 -37.451 1.00 0.00 H new ATOM 1223 N ARG A 80 -14.148 44.294 -42.257 1.00 0.00 N ATOM 1224 CA ARG A 80 -14.126 42.828 -42.456 1.00 0.00 C ATOM 1225 C ARG A 80 -13.064 42.402 -43.479 1.00 0.00 C ATOM 1226 O ARG A 80 -13.062 42.936 -44.612 1.00 0.00 O ATOM 1227 CB ARG A 80 -15.527 42.329 -42.860 1.00 0.00 C ATOM 1228 CG ARG A 80 -16.567 42.500 -41.738 1.00 0.00 C ATOM 1229 CD ARG A 80 -17.964 42.007 -42.143 1.00 0.00 C ATOM 1230 NE ARG A 80 -18.009 40.543 -42.340 1.00 0.00 N ATOM 1231 CZ ARG A 80 -18.108 39.883 -43.480 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -18.172 40.481 -44.635 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -18.140 38.582 -43.480 1.00 0.00 N ATOM 1234 OXT ARG A 80 -12.233 41.532 -43.133 1.00 0.00 O ATOM 0 H ARG A 80 -14.716 44.754 -42.969 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.849 42.364 -41.509 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -15.860 42.872 -43.744 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.467 41.276 -43.136 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -16.236 41.954 -40.855 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -16.624 43.552 -41.459 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -18.683 42.290 -41.374 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -18.269 42.504 -43.064 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.957 39.974 -41.495 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.146 41.499 -44.684 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -18.248 39.931 -45.491 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -18.089 38.071 -42.599 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -18.216 38.074 -44.361 1.00 0.00 H new TER 1248 ARG A 80