USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 580 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 7 THR OG1 : rot -133:sc= 1.24 USER MOD Set 1.2: A 65 TYR OH : rot 175:sc= 2.12 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.117 (180deg=0) USER MOD Single : A 2 MET CE :methyl 159:sc= -0.0384 (180deg=-0.384) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -170:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -109:sc= 1.31 (180deg=-0.881) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 20 GLN : amide:sc= 0.737 K(o=0.74,f=-0.003) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0477 (180deg=-0.32) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= -0.0645 (180deg=-0.678) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.022) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.39 K(o=-0.39,f=-0.96) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.124 K(o=0.12,f=-1) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc=-0.00446 (180deg=-0.135) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0815 USER MOD Single : A 51 GLN : amide:sc= -0.0012 X(o=-0.0012,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -38:sc= 1.21 USER MOD Single : A 60 LYS NZ :NH3+ -161:sc= 0.691 (180deg=-0.0348) USER MOD Single : A 61 LYS NZ :NH3+ -137:sc= 0.728 (180deg=-0.167) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.375 5.284 15.755 1.00 0.00 N ATOM 2 CA GLY A 1 15.454 4.323 14.645 1.00 0.00 C ATOM 3 C GLY A 1 15.723 5.045 13.332 1.00 0.00 C ATOM 4 O GLY A 1 15.919 6.258 13.322 1.00 0.00 O ATOM 0 H1 GLY A 1 16.064 5.024 16.489 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.588 6.239 15.403 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.417 5.270 16.159 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.246 3.600 14.838 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.522 3.763 14.574 1.00 0.00 H new ATOM 8 N MET A 2 15.741 4.312 12.217 1.00 0.00 N ATOM 9 CA MET A 2 15.723 4.876 10.864 1.00 0.00 C ATOM 10 C MET A 2 15.155 3.878 9.852 1.00 0.00 C ATOM 11 O MET A 2 15.368 4.019 8.657 1.00 0.00 O ATOM 12 CB MET A 2 17.124 5.374 10.463 1.00 0.00 C ATOM 13 CG MET A 2 18.118 4.221 10.295 1.00 0.00 C ATOM 14 SD MET A 2 19.848 4.657 10.578 1.00 0.00 S ATOM 15 CE MET A 2 19.779 4.916 12.376 1.00 0.00 C ATOM 0 H MET A 2 15.769 3.292 12.228 1.00 0.00 H new ATOM 0 HA MET A 2 15.057 5.739 10.862 1.00 0.00 H new ATOM 0 HB2 MET A 2 17.056 5.933 9.530 1.00 0.00 H new ATOM 0 HB3 MET A 2 17.494 6.064 11.221 1.00 0.00 H new ATOM 0 HG2 MET A 2 17.843 3.421 10.983 1.00 0.00 H new ATOM 0 HG3 MET A 2 18.020 3.821 9.286 1.00 0.00 H new ATOM 0 HE1 MET A 2 20.781 4.826 12.795 1.00 0.00 H new ATOM 0 HE2 MET A 2 19.386 5.911 12.585 1.00 0.00 H new ATOM 0 HE3 MET A 2 19.128 4.167 12.827 1.00 0.00 H new ATOM 25 N VAL A 3 14.480 2.822 10.312 1.00 0.00 N ATOM 26 CA VAL A 3 13.905 1.802 9.450 1.00 0.00 C ATOM 27 C VAL A 3 12.701 2.425 8.726 1.00 0.00 C ATOM 28 O VAL A 3 11.630 2.593 9.303 1.00 0.00 O ATOM 29 CB VAL A 3 13.640 0.512 10.270 1.00 0.00 C ATOM 30 CG1 VAL A 3 12.994 0.751 11.647 1.00 0.00 C ATOM 31 CG2 VAL A 3 12.828 -0.533 9.496 1.00 0.00 C ATOM 0 H VAL A 3 14.319 2.655 11.305 1.00 0.00 H new ATOM 0 HA VAL A 3 14.581 1.469 8.663 1.00 0.00 H new ATOM 0 HB VAL A 3 14.641 0.120 10.449 1.00 0.00 H new ATOM 0 HG11 VAL A 3 12.845 -0.205 12.150 1.00 0.00 H new ATOM 0 HG12 VAL A 3 13.647 1.381 12.251 1.00 0.00 H new ATOM 0 HG13 VAL A 3 12.032 1.246 11.516 1.00 0.00 H new ATOM 0 HG21 VAL A 3 12.675 -1.412 10.122 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.861 -0.112 9.220 1.00 0.00 H new ATOM 0 HG23 VAL A 3 13.369 -0.819 8.594 1.00 0.00 H new ATOM 41 N LYS A 4 12.924 2.837 7.473 1.00 0.00 N ATOM 42 CA LYS A 4 11.909 3.176 6.489 1.00 0.00 C ATOM 43 C LYS A 4 12.309 2.462 5.195 1.00 0.00 C ATOM 44 O LYS A 4 12.615 3.079 4.175 1.00 0.00 O ATOM 45 CB LYS A 4 11.739 4.701 6.370 1.00 0.00 C ATOM 46 CG LYS A 4 13.026 5.544 6.245 1.00 0.00 C ATOM 47 CD LYS A 4 13.357 6.288 7.551 1.00 0.00 C ATOM 48 CE LYS A 4 14.779 6.855 7.574 1.00 0.00 C ATOM 49 NZ LYS A 4 15.031 7.892 6.553 1.00 0.00 N ATOM 0 H LYS A 4 13.869 2.946 7.106 1.00 0.00 H new ATOM 0 HA LYS A 4 10.915 2.835 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.115 4.905 5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.190 5.050 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.860 4.895 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.910 6.265 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.645 7.102 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.230 5.607 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.975 7.276 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.487 6.039 7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.013 8.226 6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.877 7.491 5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.381 8.690 6.701 1.00 0.00 H new ATOM 63 N GLU A 5 12.377 1.137 5.284 1.00 0.00 N ATOM 64 CA GLU A 5 12.820 0.217 4.253 1.00 0.00 C ATOM 65 C GLU A 5 12.036 -1.088 4.444 1.00 0.00 C ATOM 66 O GLU A 5 12.433 -1.955 5.222 1.00 0.00 O ATOM 67 CB GLU A 5 14.361 0.046 4.317 1.00 0.00 C ATOM 68 CG GLU A 5 14.966 -0.395 5.673 1.00 0.00 C ATOM 69 CD GLU A 5 16.490 -0.263 5.709 1.00 0.00 C ATOM 70 OE1 GLU A 5 17.198 -1.059 5.051 1.00 0.00 O ATOM 71 OE2 GLU A 5 16.995 0.636 6.425 1.00 0.00 O ATOM 0 H GLU A 5 12.105 0.650 6.138 1.00 0.00 H new ATOM 0 HA GLU A 5 12.618 0.591 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 5 14.652 -0.685 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.819 0.994 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 5 14.534 0.207 6.472 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.690 -1.431 5.870 1.00 0.00 H new ATOM 78 N THR A 6 10.888 -1.234 3.785 1.00 0.00 N ATOM 79 CA THR A 6 10.161 -2.499 3.735 1.00 0.00 C ATOM 80 C THR A 6 9.407 -2.615 2.413 1.00 0.00 C ATOM 81 O THR A 6 9.315 -1.660 1.633 1.00 0.00 O ATOM 82 CB THR A 6 9.199 -2.677 4.934 1.00 0.00 C ATOM 83 OG1 THR A 6 9.018 -1.499 5.690 1.00 0.00 O ATOM 84 CG2 THR A 6 9.622 -3.806 5.867 1.00 0.00 C ATOM 0 H THR A 6 10.436 -0.478 3.271 1.00 0.00 H new ATOM 0 HA THR A 6 10.895 -3.302 3.803 1.00 0.00 H new ATOM 0 HB THR A 6 8.246 -2.936 4.473 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.532 -1.711 6.514 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.911 -3.884 6.689 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.643 -4.746 5.315 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.615 -3.596 6.265 1.00 0.00 H new ATOM 92 N THR A 7 8.823 -3.789 2.194 1.00 0.00 N ATOM 93 CA THR A 7 7.927 -4.039 1.087 1.00 0.00 C ATOM 94 C THR A 7 6.672 -3.165 1.183 1.00 0.00 C ATOM 95 O THR A 7 6.414 -2.459 2.167 1.00 0.00 O ATOM 96 CB THR A 7 7.635 -5.546 1.017 1.00 0.00 C ATOM 97 OG1 THR A 7 7.026 -5.897 -0.203 1.00 0.00 O ATOM 98 CG2 THR A 7 6.751 -6.047 2.161 1.00 0.00 C ATOM 0 H THR A 7 8.966 -4.601 2.794 1.00 0.00 H new ATOM 0 HA THR A 7 8.396 -3.753 0.145 1.00 0.00 H new ATOM 0 HB THR A 7 8.610 -6.026 1.104 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.252 -6.472 -0.029 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.585 -7.118 2.050 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.244 -5.853 3.114 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.794 -5.527 2.136 1.00 0.00 H new ATOM 106 N TYR A 8 5.853 -3.295 0.147 1.00 0.00 N ATOM 107 CA TYR A 8 4.592 -2.606 -0.083 1.00 0.00 C ATOM 108 C TYR A 8 3.601 -2.746 1.074 1.00 0.00 C ATOM 109 O TYR A 8 2.813 -1.835 1.319 1.00 0.00 O ATOM 110 CB TYR A 8 3.982 -3.180 -1.366 1.00 0.00 C ATOM 111 CG TYR A 8 4.787 -2.938 -2.627 1.00 0.00 C ATOM 112 CD1 TYR A 8 5.338 -1.676 -2.929 1.00 0.00 C ATOM 113 CD2 TYR A 8 4.976 -4.005 -3.518 1.00 0.00 C ATOM 114 CE1 TYR A 8 6.071 -1.483 -4.115 1.00 0.00 C ATOM 115 CE2 TYR A 8 5.743 -3.836 -4.681 1.00 0.00 C ATOM 116 CZ TYR A 8 6.290 -2.570 -4.993 1.00 0.00 C ATOM 117 OH TYR A 8 7.007 -2.402 -6.142 1.00 0.00 O ATOM 0 H TYR A 8 6.072 -3.937 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 8 4.796 -1.539 -0.170 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.851 -4.255 -1.238 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.989 -2.752 -1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.197 -0.852 -2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.527 -4.965 -3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.466 -0.507 -4.354 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.916 -4.675 -5.339 1.00 0.00 H new ATOM 0 HH TYR A 8 7.059 -3.254 -6.623 1.00 0.00 H new ATOM 127 N TYR A 9 3.634 -3.858 1.806 1.00 0.00 N ATOM 128 CA TYR A 9 2.751 -4.077 2.937 1.00 0.00 C ATOM 129 C TYR A 9 2.981 -3.011 4.016 1.00 0.00 C ATOM 130 O TYR A 9 2.036 -2.325 4.405 1.00 0.00 O ATOM 131 CB TYR A 9 2.913 -5.516 3.456 1.00 0.00 C ATOM 132 CG TYR A 9 2.429 -6.612 2.514 1.00 0.00 C ATOM 133 CD1 TYR A 9 1.168 -6.520 1.890 1.00 0.00 C ATOM 134 CD2 TYR A 9 3.222 -7.753 2.292 1.00 0.00 C ATOM 135 CE1 TYR A 9 0.702 -7.571 1.079 1.00 0.00 C ATOM 136 CE2 TYR A 9 2.753 -8.806 1.489 1.00 0.00 C ATOM 137 CZ TYR A 9 1.478 -8.735 0.893 1.00 0.00 C ATOM 138 OH TYR A 9 1.004 -9.777 0.151 1.00 0.00 O ATOM 0 H TYR A 9 4.276 -4.630 1.627 1.00 0.00 H new ATOM 0 HA TYR A 9 1.713 -3.969 2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.967 -5.688 3.675 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.373 -5.607 4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.558 -5.640 2.035 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.201 -7.820 2.743 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -0.259 -7.486 0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.373 -9.675 1.327 1.00 0.00 H new ATOM 0 HH TYR A 9 1.672 -10.494 0.129 1.00 0.00 H new ATOM 148 N ASP A 10 4.214 -2.814 4.487 1.00 0.00 N ATOM 149 CA ASP A 10 4.448 -1.881 5.599 1.00 0.00 C ATOM 150 C ASP A 10 4.345 -0.424 5.138 1.00 0.00 C ATOM 151 O ASP A 10 3.957 0.434 5.935 1.00 0.00 O ATOM 152 CB ASP A 10 5.779 -2.162 6.307 1.00 0.00 C ATOM 153 CG ASP A 10 5.589 -3.133 7.470 1.00 0.00 C ATOM 154 OD1 ASP A 10 5.010 -2.719 8.509 1.00 0.00 O ATOM 155 OD2 ASP A 10 5.976 -4.316 7.335 1.00 0.00 O ATOM 0 H ASP A 10 5.051 -3.274 4.128 1.00 0.00 H new ATOM 0 HA ASP A 10 3.658 -2.045 6.332 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.492 -2.577 5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.203 -1.228 6.675 1.00 0.00 H new ATOM 160 N VAL A 11 4.535 -0.139 3.841 1.00 0.00 N ATOM 161 CA VAL A 11 4.142 1.142 3.243 1.00 0.00 C ATOM 162 C VAL A 11 2.683 1.409 3.589 1.00 0.00 C ATOM 163 O VAL A 11 2.344 2.488 4.080 1.00 0.00 O ATOM 164 CB VAL A 11 4.382 1.157 1.715 1.00 0.00 C ATOM 165 CG1 VAL A 11 3.802 2.407 1.043 1.00 0.00 C ATOM 166 CG2 VAL A 11 5.864 1.045 1.354 1.00 0.00 C ATOM 0 H VAL A 11 4.964 -0.788 3.181 1.00 0.00 H new ATOM 0 HA VAL A 11 4.762 1.940 3.652 1.00 0.00 H new ATOM 0 HB VAL A 11 3.859 0.278 1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.998 2.368 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.726 2.446 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.269 3.297 1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.977 1.060 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.408 1.884 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.265 0.111 1.747 1.00 0.00 H new ATOM 176 N LEU A 12 1.814 0.430 3.358 1.00 0.00 N ATOM 177 CA LEU A 12 0.382 0.511 3.603 1.00 0.00 C ATOM 178 C LEU A 12 0.025 0.380 5.085 1.00 0.00 C ATOM 179 O LEU A 12 -1.161 0.342 5.429 1.00 0.00 O ATOM 180 CB LEU A 12 -0.325 -0.573 2.777 1.00 0.00 C ATOM 181 CG LEU A 12 -0.164 -0.364 1.261 1.00 0.00 C ATOM 182 CD1 LEU A 12 -0.486 -1.663 0.520 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.065 0.769 0.763 1.00 0.00 C ATOM 0 H LEU A 12 2.100 -0.474 2.981 1.00 0.00 H new ATOM 0 HA LEU A 12 0.043 1.501 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.075 -1.550 3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.386 -0.581 3.028 1.00 0.00 H new ATOM 0 HG LEU A 12 0.870 -0.084 1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.370 -1.508 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.195 -2.448 0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.513 -1.960 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.931 0.895 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.106 0.525 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.800 1.695 1.273 1.00 0.00 H new ATOM 195 N GLY A 13 1.015 0.309 5.975 1.00 0.00 N ATOM 196 CA GLY A 13 0.790 0.080 7.388 1.00 0.00 C ATOM 197 C GLY A 13 0.024 -1.220 7.606 1.00 0.00 C ATOM 198 O GLY A 13 -0.835 -1.266 8.495 1.00 0.00 O ATOM 0 H GLY A 13 1.999 0.410 5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.745 0.038 7.912 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.230 0.914 7.812 1.00 0.00 H new ATOM 202 N VAL A 14 0.282 -2.252 6.797 1.00 0.00 N ATOM 203 CA VAL A 14 -0.216 -3.596 7.024 1.00 0.00 C ATOM 204 C VAL A 14 0.993 -4.501 7.233 1.00 0.00 C ATOM 205 O VAL A 14 2.005 -4.401 6.541 1.00 0.00 O ATOM 206 CB VAL A 14 -1.198 -4.075 5.926 1.00 0.00 C ATOM 207 CG1 VAL A 14 -2.311 -3.053 5.670 1.00 0.00 C ATOM 208 CG2 VAL A 14 -0.591 -4.454 4.566 1.00 0.00 C ATOM 0 H VAL A 14 0.852 -2.167 5.955 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.835 -3.625 7.921 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.581 -4.998 6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.978 -3.428 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.877 -2.894 6.588 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.871 -2.110 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.384 -4.771 3.889 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.077 -3.590 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.120 -5.269 4.699 1.00 0.00 H new ATOM 218 N LYS A 15 0.884 -5.407 8.199 1.00 0.00 N ATOM 219 CA LYS A 15 1.870 -6.459 8.398 1.00 0.00 C ATOM 220 C LYS A 15 2.046 -7.280 7.113 1.00 0.00 C ATOM 221 O LYS A 15 1.105 -7.389 6.322 1.00 0.00 O ATOM 222 CB LYS A 15 1.505 -7.312 9.627 1.00 0.00 C ATOM 223 CG LYS A 15 0.010 -7.476 9.963 1.00 0.00 C ATOM 224 CD LYS A 15 -0.789 -8.273 8.928 1.00 0.00 C ATOM 225 CE LYS A 15 -2.280 -8.287 9.286 1.00 0.00 C ATOM 226 NZ LYS A 15 -2.940 -9.564 8.936 1.00 0.00 N ATOM 0 H LYS A 15 0.111 -5.431 8.864 1.00 0.00 H new ATOM 0 HA LYS A 15 2.842 -6.014 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.928 -8.306 9.484 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.999 -6.878 10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.080 -7.969 10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.437 -6.487 10.066 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.652 -7.835 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.412 -9.295 8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.394 -8.105 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.781 -7.470 8.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.576 -9.416 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.219 -10.270 8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.489 -9.905 9.750 1.00 0.00 H new ATOM 240 N PRO A 16 3.190 -7.958 6.916 1.00 0.00 N ATOM 241 CA PRO A 16 3.420 -8.758 5.722 1.00 0.00 C ATOM 242 C PRO A 16 2.443 -9.937 5.609 1.00 0.00 C ATOM 243 O PRO A 16 2.280 -10.486 4.524 1.00 0.00 O ATOM 244 CB PRO A 16 4.893 -9.183 5.783 1.00 0.00 C ATOM 245 CG PRO A 16 5.219 -9.133 7.274 1.00 0.00 C ATOM 246 CD PRO A 16 4.375 -7.957 7.756 1.00 0.00 C ATOM 0 HA PRO A 16 3.229 -8.186 4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.039 -10.183 5.374 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.529 -8.508 5.211 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.950 -10.060 7.780 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.282 -8.970 7.452 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.110 -8.069 8.807 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.921 -7.018 7.663 1.00 0.00 H new ATOM 254 N ASN A 17 1.746 -10.307 6.688 1.00 0.00 N ATOM 255 CA ASN A 17 0.702 -11.333 6.725 1.00 0.00 C ATOM 256 C ASN A 17 -0.700 -10.755 6.456 1.00 0.00 C ATOM 257 O ASN A 17 -1.699 -11.283 6.950 1.00 0.00 O ATOM 258 CB ASN A 17 0.794 -12.090 8.063 1.00 0.00 C ATOM 259 CG ASN A 17 1.895 -13.134 7.999 1.00 0.00 C ATOM 260 OD1 ASN A 17 3.063 -12.857 8.265 1.00 0.00 O ATOM 261 ND2 ASN A 17 1.572 -14.338 7.564 1.00 0.00 N ATOM 0 H ASN A 17 1.902 -9.879 7.601 1.00 0.00 H new ATOM 0 HA ASN A 17 0.869 -12.042 5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.994 -11.389 8.873 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.160 -12.569 8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.294 -15.048 7.446 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.600 -14.558 7.346 1.00 0.00 H new ATOM 268 N ALA A 18 -0.811 -9.629 5.749 1.00 0.00 N ATOM 269 CA ALA A 18 -2.096 -9.084 5.325 1.00 0.00 C ATOM 270 C ALA A 18 -2.719 -9.958 4.235 1.00 0.00 C ATOM 271 O ALA A 18 -2.026 -10.359 3.291 1.00 0.00 O ATOM 272 CB ALA A 18 -1.903 -7.658 4.815 1.00 0.00 C ATOM 0 H ALA A 18 -0.010 -9.071 5.455 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.774 -9.072 6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.864 -7.252 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.492 -7.039 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.215 -7.664 3.969 1.00 0.00 H new ATOM 278 N THR A 19 -4.020 -10.223 4.349 1.00 0.00 N ATOM 279 CA THR A 19 -4.814 -10.844 3.297 1.00 0.00 C ATOM 280 C THR A 19 -5.189 -9.833 2.210 1.00 0.00 C ATOM 281 O THR A 19 -5.228 -8.622 2.431 1.00 0.00 O ATOM 282 CB THR A 19 -6.067 -11.515 3.892 1.00 0.00 C ATOM 283 OG1 THR A 19 -6.645 -10.770 4.923 1.00 0.00 O ATOM 284 CG2 THR A 19 -5.721 -12.894 4.439 1.00 0.00 C ATOM 0 H THR A 19 -4.557 -10.008 5.189 1.00 0.00 H new ATOM 0 HA THR A 19 -4.206 -11.616 2.825 1.00 0.00 H new ATOM 0 HB THR A 19 -6.786 -11.588 3.076 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.435 -11.240 5.263 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.616 -13.355 4.856 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.333 -13.518 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.966 -12.797 5.219 1.00 0.00 H new ATOM 292 N GLN A 20 -5.563 -10.349 1.040 1.00 0.00 N ATOM 293 CA GLN A 20 -6.099 -9.603 -0.096 1.00 0.00 C ATOM 294 C GLN A 20 -7.223 -8.639 0.307 1.00 0.00 C ATOM 295 O GLN A 20 -7.350 -7.553 -0.260 1.00 0.00 O ATOM 296 CB GLN A 20 -6.643 -10.627 -1.103 1.00 0.00 C ATOM 297 CG GLN A 20 -5.579 -11.347 -1.937 1.00 0.00 C ATOM 298 CD GLN A 20 -5.179 -10.483 -3.122 1.00 0.00 C ATOM 299 OE1 GLN A 20 -5.789 -10.571 -4.181 1.00 0.00 O ATOM 300 NE2 GLN A 20 -4.192 -9.623 -2.955 1.00 0.00 N ATOM 0 H GLN A 20 -5.497 -11.349 0.850 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.301 -8.994 -0.522 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.224 -11.373 -0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.330 -10.118 -1.780 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.706 -11.562 -1.321 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.965 -12.304 -2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.704 -9.574 -2.061 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.917 -9.007 -3.720 1.00 0.00 H new ATOM 309 N GLU A 21 -8.055 -9.016 1.273 1.00 0.00 N ATOM 310 CA GLU A 21 -9.182 -8.199 1.697 1.00 0.00 C ATOM 311 C GLU A 21 -8.738 -7.104 2.666 1.00 0.00 C ATOM 312 O GLU A 21 -9.219 -5.969 2.582 1.00 0.00 O ATOM 313 CB GLU A 21 -10.234 -9.096 2.342 1.00 0.00 C ATOM 314 CG GLU A 21 -10.675 -10.197 1.376 1.00 0.00 C ATOM 315 CD GLU A 21 -11.969 -10.836 1.864 1.00 0.00 C ATOM 316 OE1 GLU A 21 -13.018 -10.179 1.674 1.00 0.00 O ATOM 317 OE2 GLU A 21 -11.894 -11.935 2.461 1.00 0.00 O ATOM 0 H GLU A 21 -7.965 -9.895 1.782 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.610 -7.706 0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.830 -9.543 3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.096 -8.498 2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.820 -9.780 0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.895 -10.954 1.295 1.00 0.00 H new ATOM 324 N GLU A 22 -7.774 -7.430 3.534 1.00 0.00 N ATOM 325 CA GLU A 22 -7.150 -6.474 4.433 1.00 0.00 C ATOM 326 C GLU A 22 -6.519 -5.346 3.622 1.00 0.00 C ATOM 327 O GLU A 22 -6.612 -4.199 4.044 1.00 0.00 O ATOM 328 CB GLU A 22 -6.109 -7.154 5.343 1.00 0.00 C ATOM 329 CG GLU A 22 -6.771 -7.986 6.446 1.00 0.00 C ATOM 330 CD GLU A 22 -5.740 -8.571 7.424 1.00 0.00 C ATOM 331 OE1 GLU A 22 -4.972 -9.495 7.073 1.00 0.00 O ATOM 332 OE2 GLU A 22 -5.690 -8.117 8.596 1.00 0.00 O ATOM 0 H GLU A 22 -7.407 -8.377 3.627 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.917 -6.055 5.084 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.465 -7.795 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.471 -6.395 5.795 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.478 -7.364 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.343 -8.797 5.995 1.00 0.00 H new ATOM 339 N LEU A 23 -5.941 -5.637 2.446 1.00 0.00 N ATOM 340 CA LEU A 23 -5.339 -4.634 1.572 1.00 0.00 C ATOM 341 C LEU A 23 -6.335 -3.522 1.260 1.00 0.00 C ATOM 342 O LEU A 23 -6.035 -2.359 1.521 1.00 0.00 O ATOM 343 CB LEU A 23 -4.807 -5.277 0.274 1.00 0.00 C ATOM 344 CG LEU A 23 -3.328 -5.687 0.283 1.00 0.00 C ATOM 345 CD1 LEU A 23 -2.389 -4.485 0.386 1.00 0.00 C ATOM 346 CD2 LEU A 23 -3.005 -6.704 1.371 1.00 0.00 C ATOM 0 H LEU A 23 -5.881 -6.586 2.077 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.492 -4.194 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.407 -6.161 0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.964 -4.576 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.157 -6.167 -0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.355 -4.830 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.549 -3.824 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.593 -3.942 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.946 -6.957 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.239 -6.279 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.599 -7.604 1.215 1.00 0.00 H new ATOM 358 N LYS A 24 -7.507 -3.831 0.697 1.00 0.00 N ATOM 359 CA LYS A 24 -8.439 -2.765 0.324 1.00 0.00 C ATOM 360 C LYS A 24 -8.982 -2.026 1.537 1.00 0.00 C ATOM 361 O LYS A 24 -9.009 -0.794 1.559 1.00 0.00 O ATOM 362 CB LYS A 24 -9.537 -3.252 -0.624 1.00 0.00 C ATOM 363 CG LYS A 24 -10.371 -4.512 -0.323 1.00 0.00 C ATOM 364 CD LYS A 24 -11.676 -4.211 0.438 1.00 0.00 C ATOM 365 CE LYS A 24 -12.728 -5.325 0.326 1.00 0.00 C ATOM 366 NZ LYS A 24 -13.180 -5.545 -1.066 1.00 0.00 N ATOM 0 H LYS A 24 -7.825 -4.779 0.495 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.865 -2.032 -0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.241 -2.428 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.068 -3.409 -1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.613 -5.012 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.769 -5.207 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.443 -4.048 1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.102 -3.282 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.312 -6.253 0.720 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.587 -5.072 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.071 -6.082 -1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.332 -4.627 -1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.456 -6.081 -1.586 1.00 0.00 H new ATOM 380 N LYS A 25 -9.413 -2.764 2.556 1.00 0.00 N ATOM 381 CA LYS A 25 -9.896 -2.153 3.798 1.00 0.00 C ATOM 382 C LYS A 25 -8.841 -1.257 4.457 1.00 0.00 C ATOM 383 O LYS A 25 -9.219 -0.238 5.045 1.00 0.00 O ATOM 384 CB LYS A 25 -10.409 -3.216 4.787 1.00 0.00 C ATOM 385 CG LYS A 25 -11.845 -3.697 4.492 1.00 0.00 C ATOM 386 CD LYS A 25 -12.617 -3.954 5.800 1.00 0.00 C ATOM 387 CE LYS A 25 -14.126 -4.146 5.580 1.00 0.00 C ATOM 388 NZ LYS A 25 -14.528 -5.545 5.318 1.00 0.00 N ATOM 0 H LYS A 25 -9.439 -3.784 2.550 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.734 -1.513 3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.737 -4.074 4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.373 -2.807 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.369 -2.949 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.812 -4.611 3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.211 -4.841 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.458 -3.117 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.659 -3.786 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.441 -3.526 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.558 -5.590 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.049 -5.889 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.260 -6.141 6.127 1.00 0.00 H new ATOM 402 N ALA A 26 -7.550 -1.590 4.378 1.00 0.00 N ATOM 403 CA ALA A 26 -6.465 -0.785 4.937 1.00 0.00 C ATOM 404 C ALA A 26 -6.151 0.429 4.062 1.00 0.00 C ATOM 405 O ALA A 26 -5.912 1.523 4.567 1.00 0.00 O ATOM 406 CB ALA A 26 -5.212 -1.635 5.126 1.00 0.00 C ATOM 0 H ALA A 26 -7.226 -2.440 3.916 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.798 -0.418 5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.415 -1.020 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.430 -2.458 5.807 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.895 -2.036 4.163 1.00 0.00 H new ATOM 412 N TYR A 27 -6.211 0.259 2.747 1.00 0.00 N ATOM 413 CA TYR A 27 -5.946 1.309 1.774 1.00 0.00 C ATOM 414 C TYR A 27 -6.876 2.490 2.033 1.00 0.00 C ATOM 415 O TYR A 27 -6.437 3.620 2.253 1.00 0.00 O ATOM 416 CB TYR A 27 -6.139 0.740 0.363 1.00 0.00 C ATOM 417 CG TYR A 27 -5.888 1.726 -0.752 1.00 0.00 C ATOM 418 CD1 TYR A 27 -4.587 2.196 -0.963 1.00 0.00 C ATOM 419 CD2 TYR A 27 -6.930 2.132 -1.603 1.00 0.00 C ATOM 420 CE1 TYR A 27 -4.295 3.012 -2.067 1.00 0.00 C ATOM 421 CE2 TYR A 27 -6.641 2.909 -2.745 1.00 0.00 C ATOM 422 CZ TYR A 27 -5.309 3.322 -2.997 1.00 0.00 C ATOM 423 OH TYR A 27 -4.996 4.026 -4.120 1.00 0.00 O ATOM 0 H TYR A 27 -6.451 -0.635 2.318 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.920 1.665 1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.471 -0.112 0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.158 0.362 0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.802 1.929 -0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.949 1.850 -1.384 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -3.297 3.401 -2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -7.432 3.188 -3.425 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.804 4.157 -4.659 1.00 0.00 H new ATOM 433 N ARG A 28 -8.179 2.204 2.091 1.00 0.00 N ATOM 434 CA ARG A 28 -9.237 3.173 2.349 1.00 0.00 C ATOM 435 C ARG A 28 -8.981 4.016 3.598 1.00 0.00 C ATOM 436 O ARG A 28 -9.211 5.225 3.578 1.00 0.00 O ATOM 437 CB ARG A 28 -10.552 2.403 2.510 1.00 0.00 C ATOM 438 CG ARG A 28 -11.115 1.902 1.180 1.00 0.00 C ATOM 439 CD ARG A 28 -12.417 1.132 1.425 1.00 0.00 C ATOM 440 NE ARG A 28 -13.068 0.816 0.150 1.00 0.00 N ATOM 441 CZ ARG A 28 -14.191 0.132 -0.069 1.00 0.00 C ATOM 442 NH1 ARG A 28 -14.855 -0.446 0.927 1.00 0.00 N ATOM 443 NH2 ARG A 28 -14.637 0.039 -1.313 1.00 0.00 N ATOM 0 H ARG A 28 -8.534 1.258 1.954 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.277 3.867 1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.391 1.553 3.174 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.288 3.048 2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.300 2.744 0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.388 1.257 0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.207 0.213 1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.087 1.726 2.046 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.597 1.168 -0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.507 -0.371 1.883 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.712 -0.964 0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.124 0.485 -2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.494 -0.478 -1.510 1.00 0.00 H new ATOM 457 N LYS A 29 -8.510 3.418 4.697 1.00 0.00 N ATOM 458 CA LYS A 29 -8.389 4.169 5.950 1.00 0.00 C ATOM 459 C LYS A 29 -7.195 5.129 5.941 1.00 0.00 C ATOM 460 O LYS A 29 -7.116 6.018 6.789 1.00 0.00 O ATOM 461 CB LYS A 29 -8.396 3.241 7.183 1.00 0.00 C ATOM 462 CG LYS A 29 -7.360 2.124 7.042 1.00 0.00 C ATOM 463 CD LYS A 29 -7.114 1.233 8.260 1.00 0.00 C ATOM 464 CE LYS A 29 -6.142 1.831 9.279 1.00 0.00 C ATOM 465 NZ LYS A 29 -4.799 2.114 8.724 1.00 0.00 N ATOM 0 H LYS A 29 -8.214 2.443 4.746 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.278 4.795 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.187 3.823 8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.388 2.807 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.665 1.485 6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.410 2.579 6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.066 1.037 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.726 0.272 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.565 2.755 9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.041 1.143 10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.090 2.054 9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.575 1.418 7.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.787 3.070 8.314 1.00 0.00 H new ATOM 479 N LEU A 30 -6.253 4.962 5.013 1.00 0.00 N ATOM 480 CA LEU A 30 -5.084 5.812 4.882 1.00 0.00 C ATOM 481 C LEU A 30 -5.313 6.826 3.772 1.00 0.00 C ATOM 482 O LEU A 30 -4.916 7.972 3.936 1.00 0.00 O ATOM 483 CB LEU A 30 -3.840 4.951 4.646 1.00 0.00 C ATOM 484 CG LEU A 30 -3.439 4.139 5.891 1.00 0.00 C ATOM 485 CD1 LEU A 30 -2.438 3.062 5.493 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.830 4.984 7.019 1.00 0.00 C ATOM 0 H LEU A 30 -6.288 4.215 4.320 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.917 6.370 5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.026 4.269 3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.009 5.592 4.351 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.361 3.708 6.281 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.153 2.486 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.891 2.398 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.552 3.530 5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.574 4.339 7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.930 5.481 6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.552 5.733 7.343 1.00 0.00 H new ATOM 498 N ALA A 31 -6.011 6.450 2.694 1.00 0.00 N ATOM 499 CA ALA A 31 -6.355 7.334 1.588 1.00 0.00 C ATOM 500 C ALA A 31 -6.941 8.651 2.096 1.00 0.00 C ATOM 501 O ALA A 31 -6.434 9.723 1.785 1.00 0.00 O ATOM 502 CB ALA A 31 -7.304 6.604 0.621 1.00 0.00 C ATOM 0 H ALA A 31 -6.358 5.499 2.569 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.450 7.594 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.561 7.266 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.812 5.712 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.212 6.316 1.151 1.00 0.00 H new ATOM 508 N LEU A 32 -7.994 8.578 2.911 1.00 0.00 N ATOM 509 CA LEU A 32 -8.666 9.757 3.430 1.00 0.00 C ATOM 510 C LEU A 32 -7.870 10.422 4.569 1.00 0.00 C ATOM 511 O LEU A 32 -8.117 11.590 4.860 1.00 0.00 O ATOM 512 CB LEU A 32 -10.051 9.348 3.930 1.00 0.00 C ATOM 513 CG LEU A 32 -11.089 8.888 2.882 1.00 0.00 C ATOM 514 CD1 LEU A 32 -10.663 7.883 1.804 1.00 0.00 C ATOM 515 CD2 LEU A 32 -12.283 8.283 3.633 1.00 0.00 C ATOM 0 H LEU A 32 -8.401 7.697 3.226 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.749 10.490 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.922 8.540 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.475 10.194 4.472 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.297 9.798 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.510 7.668 1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.849 8.305 1.215 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.327 6.961 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.033 7.949 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.946 7.434 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.719 9.036 4.290 1.00 0.00 H new ATOM 527 N LYS A 33 -6.919 9.734 5.223 1.00 0.00 N ATOM 528 CA LYS A 33 -6.005 10.402 6.155 1.00 0.00 C ATOM 529 C LYS A 33 -5.136 11.372 5.365 1.00 0.00 C ATOM 530 O LYS A 33 -5.044 12.550 5.708 1.00 0.00 O ATOM 531 CB LYS A 33 -5.131 9.411 6.965 1.00 0.00 C ATOM 532 CG LYS A 33 -4.036 10.192 7.728 1.00 0.00 C ATOM 533 CD LYS A 33 -3.229 9.378 8.746 1.00 0.00 C ATOM 534 CE LYS A 33 -2.040 10.207 9.274 1.00 0.00 C ATOM 535 NZ LYS A 33 -2.457 11.440 9.983 1.00 0.00 N ATOM 0 H LYS A 33 -6.767 8.730 5.124 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.602 10.937 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.751 8.853 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.673 8.683 6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.345 10.618 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.506 11.027 8.248 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.871 9.082 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.864 8.462 8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.447 9.590 9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.394 10.477 8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.617 11.926 10.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.955 12.069 9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.092 11.191 10.769 1.00 0.00 H new ATOM 549 N TYR A 34 -4.456 10.838 4.360 1.00 0.00 N ATOM 550 CA TYR A 34 -3.403 11.497 3.613 1.00 0.00 C ATOM 551 C TYR A 34 -3.961 12.323 2.447 1.00 0.00 C ATOM 552 O TYR A 34 -3.202 12.717 1.561 1.00 0.00 O ATOM 553 CB TYR A 34 -2.420 10.406 3.162 1.00 0.00 C ATOM 554 CG TYR A 34 -1.727 9.670 4.307 1.00 0.00 C ATOM 555 CD1 TYR A 34 -0.947 10.380 5.232 1.00 0.00 C ATOM 556 CD2 TYR A 34 -1.827 8.276 4.455 1.00 0.00 C ATOM 557 CE1 TYR A 34 -0.226 9.729 6.243 1.00 0.00 C ATOM 558 CE2 TYR A 34 -1.110 7.603 5.452 1.00 0.00 C ATOM 559 CZ TYR A 34 -0.305 8.324 6.358 1.00 0.00 C ATOM 560 OH TYR A 34 0.377 7.691 7.346 1.00 0.00 O ATOM 0 H TYR A 34 -4.635 9.889 4.031 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.881 12.223 4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.957 9.680 2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.661 10.859 2.525 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.901 11.457 5.163 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.467 7.715 3.790 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.385 10.298 6.928 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.174 6.528 5.527 1.00 0.00 H new ATOM 0 HH TYR A 34 0.216 6.726 7.288 1.00 0.00 H new ATOM 570 N HIS A 35 -5.277 12.576 2.415 1.00 0.00 N ATOM 571 CA HIS A 35 -5.891 13.236 1.277 1.00 0.00 C ATOM 572 C HIS A 35 -5.346 14.667 1.199 1.00 0.00 C ATOM 573 O HIS A 35 -5.278 15.335 2.235 1.00 0.00 O ATOM 574 CB HIS A 35 -7.422 13.238 1.456 1.00 0.00 C ATOM 575 CG HIS A 35 -8.175 13.048 0.165 1.00 0.00 C ATOM 576 ND1 HIS A 35 -8.940 13.978 -0.508 1.00 0.00 N ATOM 577 CD2 HIS A 35 -8.241 11.876 -0.538 1.00 0.00 C ATOM 578 CE1 HIS A 35 -9.416 13.391 -1.618 1.00 0.00 C ATOM 579 NE2 HIS A 35 -9.031 12.100 -1.673 1.00 0.00 N ATOM 0 H HIS A 35 -5.925 12.332 3.164 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.657 12.712 0.350 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.700 12.445 2.150 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.726 14.181 1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.768 10.944 -0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.023 13.884 -2.363 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -9.268 11.422 -2.397 1.00 0.00 H new ATOM 587 N PRO A 36 -5.108 15.213 -0.003 1.00 0.00 N ATOM 588 CA PRO A 36 -4.439 16.504 -0.139 1.00 0.00 C ATOM 589 C PRO A 36 -5.379 17.632 0.300 1.00 0.00 C ATOM 590 O PRO A 36 -4.954 18.617 0.901 1.00 0.00 O ATOM 591 CB PRO A 36 -4.070 16.595 -1.621 1.00 0.00 C ATOM 592 CG PRO A 36 -5.090 15.704 -2.327 1.00 0.00 C ATOM 593 CD PRO A 36 -5.318 14.599 -1.306 1.00 0.00 C ATOM 0 HA PRO A 36 -3.553 16.598 0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -4.125 17.622 -1.981 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -3.052 16.249 -1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.010 16.242 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.706 15.314 -3.269 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.326 14.192 -1.389 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.626 13.772 -1.464 1.00 0.00 H new ATOM 601 N ASP A 37 -6.675 17.434 0.055 1.00 0.00 N ATOM 602 CA ASP A 37 -7.777 18.329 0.382 1.00 0.00 C ATOM 603 C ASP A 37 -7.790 18.726 1.857 1.00 0.00 C ATOM 604 O ASP A 37 -8.082 19.872 2.197 1.00 0.00 O ATOM 605 CB ASP A 37 -9.070 17.587 0.033 1.00 0.00 C ATOM 606 CG ASP A 37 -10.321 18.452 0.193 1.00 0.00 C ATOM 607 OD1 ASP A 37 -10.646 19.199 -0.757 1.00 0.00 O ATOM 608 OD2 ASP A 37 -11.053 18.279 1.191 1.00 0.00 O ATOM 0 H ASP A 37 -7.000 16.586 -0.409 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.670 19.254 -0.184 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.011 17.231 -0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.160 16.707 0.670 1.00 0.00 H new ATOM 613 N LYS A 38 -7.460 17.786 2.746 1.00 0.00 N ATOM 614 CA LYS A 38 -7.597 17.922 4.196 1.00 0.00 C ATOM 615 C LYS A 38 -6.277 17.725 4.921 1.00 0.00 C ATOM 616 O LYS A 38 -6.271 17.710 6.158 1.00 0.00 O ATOM 617 CB LYS A 38 -8.677 16.935 4.686 1.00 0.00 C ATOM 618 CG LYS A 38 -10.077 17.516 4.473 1.00 0.00 C ATOM 619 CD LYS A 38 -10.436 18.543 5.553 1.00 0.00 C ATOM 620 CE LYS A 38 -11.533 19.465 5.033 1.00 0.00 C ATOM 621 NZ LYS A 38 -11.922 20.479 6.030 1.00 0.00 N ATOM 0 H LYS A 38 -7.079 16.882 2.467 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.907 18.941 4.428 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.584 15.991 4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.525 16.717 5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.130 17.987 3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.810 16.710 4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.772 18.034 6.457 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.555 19.125 5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.189 19.962 4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.406 18.872 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.670 21.085 5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.275 20.006 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.096 21.063 6.272 1.00 0.00 H new ATOM 635 N ASN A 39 -5.174 17.536 4.197 1.00 0.00 N ATOM 636 CA ASN A 39 -3.879 17.232 4.786 1.00 0.00 C ATOM 637 C ASN A 39 -2.778 17.587 3.773 1.00 0.00 C ATOM 638 O ASN A 39 -2.118 16.700 3.233 1.00 0.00 O ATOM 639 CB ASN A 39 -3.884 15.752 5.202 1.00 0.00 C ATOM 640 CG ASN A 39 -3.020 15.469 6.412 1.00 0.00 C ATOM 641 OD1 ASN A 39 -2.232 16.291 6.882 1.00 0.00 O ATOM 642 ND2 ASN A 39 -3.252 14.319 7.011 1.00 0.00 N ATOM 0 H ASN A 39 -5.159 17.591 3.179 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.679 17.822 5.681 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.908 15.445 5.415 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.537 15.145 4.366 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.775 14.093 7.884 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.909 13.654 6.602 1.00 0.00 H new ATOM 649 N PRO A 40 -2.594 18.880 3.457 1.00 0.00 N ATOM 650 CA PRO A 40 -1.908 19.340 2.247 1.00 0.00 C ATOM 651 C PRO A 40 -0.409 19.012 2.153 1.00 0.00 C ATOM 652 O PRO A 40 0.160 19.143 1.069 1.00 0.00 O ATOM 653 CB PRO A 40 -2.168 20.852 2.186 1.00 0.00 C ATOM 654 CG PRO A 40 -2.487 21.242 3.627 1.00 0.00 C ATOM 655 CD PRO A 40 -3.203 20.002 4.149 1.00 0.00 C ATOM 0 HA PRO A 40 -2.307 18.799 1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.297 21.390 1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -2.997 21.086 1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.585 21.461 4.198 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.119 22.128 3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.086 19.907 5.229 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.273 20.053 3.947 1.00 0.00 H new ATOM 663 N ASN A 41 0.238 18.584 3.241 1.00 0.00 N ATOM 664 CA ASN A 41 1.605 18.065 3.212 1.00 0.00 C ATOM 665 C ASN A 41 1.681 16.645 2.676 1.00 0.00 C ATOM 666 O ASN A 41 2.746 16.221 2.235 1.00 0.00 O ATOM 667 CB ASN A 41 2.218 18.047 4.620 1.00 0.00 C ATOM 668 CG ASN A 41 3.075 19.274 4.816 1.00 0.00 C ATOM 669 OD1 ASN A 41 4.277 19.219 4.578 1.00 0.00 O ATOM 670 ND2 ASN A 41 2.477 20.390 5.188 1.00 0.00 N ATOM 0 H ASN A 41 -0.177 18.589 4.173 1.00 0.00 H new ATOM 0 HA ASN A 41 2.155 18.735 2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.428 18.019 5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 41 2.818 17.147 4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.017 21.250 5.287 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.475 20.393 5.376 1.00 0.00 H new ATOM 677 N GLU A 42 0.611 15.863 2.785 1.00 0.00 N ATOM 678 CA GLU A 42 0.705 14.405 2.765 1.00 0.00 C ATOM 679 C GLU A 42 0.400 13.825 1.371 1.00 0.00 C ATOM 680 O GLU A 42 0.428 12.609 1.180 1.00 0.00 O ATOM 681 CB GLU A 42 -0.108 13.823 3.927 1.00 0.00 C ATOM 682 CG GLU A 42 0.522 14.303 5.258 1.00 0.00 C ATOM 683 CD GLU A 42 0.282 13.411 6.495 1.00 0.00 C ATOM 684 OE1 GLU A 42 -0.882 13.146 6.878 1.00 0.00 O ATOM 685 OE2 GLU A 42 1.280 12.949 7.083 1.00 0.00 O ATOM 0 H GLU A 42 -0.340 16.218 2.889 1.00 0.00 H new ATOM 0 HA GLU A 42 1.734 14.091 2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.147 14.146 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.110 12.734 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.598 14.400 5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.139 15.300 5.477 1.00 0.00 H new ATOM 692 N GLY A 43 0.172 14.685 0.372 1.00 0.00 N ATOM 693 CA GLY A 43 -0.237 14.288 -0.969 1.00 0.00 C ATOM 694 C GLY A 43 0.828 13.502 -1.751 1.00 0.00 C ATOM 695 O GLY A 43 0.450 12.745 -2.651 1.00 0.00 O ATOM 0 H GLY A 43 0.270 15.694 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.139 13.680 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.500 15.182 -1.535 1.00 0.00 H new ATOM 699 N GLU A 44 2.121 13.612 -1.405 1.00 0.00 N ATOM 700 CA GLU A 44 3.175 12.812 -2.045 1.00 0.00 C ATOM 701 C GLU A 44 3.237 11.434 -1.390 1.00 0.00 C ATOM 702 O GLU A 44 3.314 10.426 -2.088 1.00 0.00 O ATOM 703 CB GLU A 44 4.563 13.483 -1.987 1.00 0.00 C ATOM 704 CG GLU A 44 4.873 14.318 -3.236 1.00 0.00 C ATOM 705 CD GLU A 44 6.364 14.658 -3.314 1.00 0.00 C ATOM 706 OE1 GLU A 44 6.796 15.580 -2.586 1.00 0.00 O ATOM 707 OE2 GLU A 44 7.100 14.000 -4.092 1.00 0.00 O ATOM 0 H GLU A 44 2.461 14.249 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 44 2.914 12.722 -3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.616 14.123 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.328 12.715 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.575 13.768 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.287 15.237 -3.218 1.00 0.00 H new ATOM 714 N LYS A 45 3.101 11.349 -0.058 1.00 0.00 N ATOM 715 CA LYS A 45 2.952 10.083 0.643 1.00 0.00 C ATOM 716 C LYS A 45 1.809 9.287 0.044 1.00 0.00 C ATOM 717 O LYS A 45 1.888 8.065 -0.014 1.00 0.00 O ATOM 718 CB LYS A 45 2.558 10.326 2.093 1.00 0.00 C ATOM 719 CG LYS A 45 3.398 11.312 2.890 1.00 0.00 C ATOM 720 CD LYS A 45 2.618 11.640 4.165 1.00 0.00 C ATOM 721 CE LYS A 45 3.225 11.151 5.459 1.00 0.00 C ATOM 722 NZ LYS A 45 4.573 11.703 5.691 1.00 0.00 N ATOM 0 H LYS A 45 3.092 12.163 0.557 1.00 0.00 H new ATOM 0 HA LYS A 45 3.903 9.556 0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.525 10.674 2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.579 9.368 2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.370 10.882 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.585 12.216 2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.502 12.722 4.228 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.618 11.217 4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.575 11.426 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.279 10.062 5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.837 11.568 6.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.259 11.212 5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.576 12.719 5.467 1.00 0.00 H new ATOM 736 N PHE A 46 0.758 9.981 -0.397 1.00 0.00 N ATOM 737 CA PHE A 46 -0.382 9.368 -1.036 1.00 0.00 C ATOM 738 C PHE A 46 0.084 8.481 -2.193 1.00 0.00 C ATOM 739 O PHE A 46 -0.378 7.350 -2.312 1.00 0.00 O ATOM 740 CB PHE A 46 -1.343 10.442 -1.556 1.00 0.00 C ATOM 741 CG PHE A 46 -2.821 10.107 -1.518 1.00 0.00 C ATOM 742 CD1 PHE A 46 -3.303 8.786 -1.594 1.00 0.00 C ATOM 743 CD2 PHE A 46 -3.741 11.167 -1.508 1.00 0.00 C ATOM 744 CE1 PHE A 46 -4.684 8.532 -1.624 1.00 0.00 C ATOM 745 CE2 PHE A 46 -5.120 10.918 -1.605 1.00 0.00 C ATOM 746 CZ PHE A 46 -5.596 9.599 -1.645 1.00 0.00 C ATOM 0 H PHE A 46 0.685 10.995 -0.314 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.906 8.755 -0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.185 11.351 -0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.072 10.671 -2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.606 7.962 -1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.385 12.183 -1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.045 7.514 -1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.815 11.743 -1.649 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.658 9.406 -1.692 1.00 0.00 H new ATOM 756 N LYS A 47 1.027 8.956 -3.012 1.00 0.00 N ATOM 757 CA LYS A 47 1.534 8.186 -4.140 1.00 0.00 C ATOM 758 C LYS A 47 2.201 6.890 -3.685 1.00 0.00 C ATOM 759 O LYS A 47 2.025 5.869 -4.348 1.00 0.00 O ATOM 760 CB LYS A 47 2.493 9.010 -5.018 1.00 0.00 C ATOM 761 CG LYS A 47 1.797 10.143 -5.791 1.00 0.00 C ATOM 762 CD LYS A 47 2.793 10.854 -6.726 1.00 0.00 C ATOM 763 CE LYS A 47 2.303 10.895 -8.180 1.00 0.00 C ATOM 764 NZ LYS A 47 1.318 11.953 -8.481 1.00 0.00 N ATOM 0 H LYS A 47 1.454 9.877 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 47 0.669 7.925 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.273 9.437 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.985 8.345 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.969 9.738 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.372 10.861 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.957 11.872 -6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.755 10.343 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.165 11.027 -8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.862 9.929 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.048 11.901 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.474 11.821 -7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.737 12.884 -8.284 1.00 0.00 H new ATOM 778 N GLN A 48 2.939 6.895 -2.568 1.00 0.00 N ATOM 779 CA GLN A 48 3.472 5.666 -1.984 1.00 0.00 C ATOM 780 C GLN A 48 2.341 4.686 -1.653 1.00 0.00 C ATOM 781 O GLN A 48 2.535 3.484 -1.874 1.00 0.00 O ATOM 782 CB GLN A 48 4.312 5.973 -0.726 1.00 0.00 C ATOM 783 CG GLN A 48 5.795 6.256 -1.015 1.00 0.00 C ATOM 784 CD GLN A 48 6.678 5.056 -0.673 1.00 0.00 C ATOM 785 OE1 GLN A 48 7.100 4.304 -1.552 1.00 0.00 O ATOM 786 NE2 GLN A 48 6.995 4.842 0.594 1.00 0.00 N ATOM 0 H GLN A 48 3.179 7.741 -2.052 1.00 0.00 H new ATOM 0 HA GLN A 48 4.124 5.198 -2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.881 6.835 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.241 5.129 -0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.918 6.510 -2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.119 7.122 -0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.644 5.467 1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.590 4.053 0.844 1.00 0.00 H new ATOM 795 N ILE A 49 1.187 5.182 -1.176 1.00 0.00 N ATOM 796 CA ILE A 49 0.029 4.344 -0.864 1.00 0.00 C ATOM 797 C ILE A 49 -0.425 3.665 -2.157 1.00 0.00 C ATOM 798 O ILE A 49 -0.521 2.438 -2.191 1.00 0.00 O ATOM 799 CB ILE A 49 -1.169 5.112 -0.233 1.00 0.00 C ATOM 800 CG1 ILE A 49 -0.817 6.200 0.788 1.00 0.00 C ATOM 801 CG2 ILE A 49 -2.121 4.108 0.441 1.00 0.00 C ATOM 802 CD1 ILE A 49 -2.069 6.930 1.283 1.00 0.00 C ATOM 0 H ILE A 49 1.036 6.175 -0.998 1.00 0.00 H new ATOM 0 HA ILE A 49 0.347 3.625 -0.109 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.626 5.636 -1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.297 5.752 1.635 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.131 6.917 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.961 4.644 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.492 3.403 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.585 3.566 1.220 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.783 7.694 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.574 7.399 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.742 6.216 1.758 1.00 0.00 H new ATOM 814 N SER A 50 -0.724 4.446 -3.205 1.00 0.00 N ATOM 815 CA SER A 50 -1.223 3.927 -4.464 1.00 0.00 C ATOM 816 C SER A 50 -0.240 2.908 -5.022 1.00 0.00 C ATOM 817 O SER A 50 -0.624 1.763 -5.233 1.00 0.00 O ATOM 818 CB SER A 50 -1.492 5.046 -5.468 1.00 0.00 C ATOM 819 OG SER A 50 -1.485 6.345 -4.906 1.00 0.00 O ATOM 0 H SER A 50 -0.622 5.461 -3.192 1.00 0.00 H new ATOM 0 HA SER A 50 -2.177 3.433 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.741 5.000 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.459 4.871 -5.939 1.00 0.00 H new ATOM 0 HG SER A 50 -1.662 7.006 -5.608 1.00 0.00 H new ATOM 825 N GLN A 51 1.028 3.297 -5.202 1.00 0.00 N ATOM 826 CA GLN A 51 2.061 2.473 -5.803 1.00 0.00 C ATOM 827 C GLN A 51 2.148 1.111 -5.102 1.00 0.00 C ATOM 828 O GLN A 51 2.408 0.107 -5.758 1.00 0.00 O ATOM 829 CB GLN A 51 3.399 3.238 -5.749 1.00 0.00 C ATOM 830 CG GLN A 51 4.480 2.576 -6.622 1.00 0.00 C ATOM 831 CD GLN A 51 5.910 2.867 -6.175 1.00 0.00 C ATOM 832 OE1 GLN A 51 6.708 3.429 -6.918 1.00 0.00 O ATOM 833 NE2 GLN A 51 6.297 2.425 -4.992 1.00 0.00 N ATOM 0 H GLN A 51 1.363 4.219 -4.923 1.00 0.00 H new ATOM 0 HA GLN A 51 1.816 2.270 -6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.243 4.264 -6.082 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.747 3.287 -4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.323 1.497 -6.619 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.357 2.914 -7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.629 1.958 -4.378 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.264 2.550 -4.692 1.00 0.00 H new ATOM 842 N ALA A 52 1.957 1.069 -3.777 1.00 0.00 N ATOM 843 CA ALA A 52 1.940 -0.184 -3.041 1.00 0.00 C ATOM 844 C ALA A 52 0.664 -0.955 -3.321 1.00 0.00 C ATOM 845 O ALA A 52 0.746 -2.064 -3.845 1.00 0.00 O ATOM 846 CB ALA A 52 2.114 0.062 -1.537 1.00 0.00 C ATOM 0 H ALA A 52 1.812 1.897 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 52 2.781 -0.788 -3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.098 -0.891 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.067 0.560 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.301 0.692 -1.175 1.00 0.00 H new ATOM 852 N TYR A 53 -0.500 -0.412 -2.955 1.00 0.00 N ATOM 853 CA TYR A 53 -1.753 -1.155 -3.051 1.00 0.00 C ATOM 854 C TYR A 53 -1.999 -1.643 -4.483 1.00 0.00 C ATOM 855 O TYR A 53 -2.594 -2.703 -4.664 1.00 0.00 O ATOM 856 CB TYR A 53 -2.911 -0.304 -2.510 1.00 0.00 C ATOM 857 CG TYR A 53 -4.285 -0.820 -2.896 1.00 0.00 C ATOM 858 CD1 TYR A 53 -4.846 -1.948 -2.261 1.00 0.00 C ATOM 859 CD2 TYR A 53 -4.948 -0.223 -3.985 1.00 0.00 C ATOM 860 CE1 TYR A 53 -6.049 -2.502 -2.742 1.00 0.00 C ATOM 861 CE2 TYR A 53 -6.138 -0.773 -4.480 1.00 0.00 C ATOM 862 CZ TYR A 53 -6.681 -1.926 -3.873 1.00 0.00 C ATOM 863 OH TYR A 53 -7.782 -2.508 -4.418 1.00 0.00 O ATOM 0 H TYR A 53 -0.598 0.536 -2.591 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.685 -2.049 -2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.841 -0.262 -1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.801 0.717 -2.876 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.353 -2.387 -1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.537 0.665 -4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.487 -3.359 -2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.637 -0.317 -5.322 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.085 -1.980 -5.186 1.00 0.00 H new ATOM 873 N GLU A 54 -1.462 -0.943 -5.486 1.00 0.00 N ATOM 874 CA GLU A 54 -1.621 -1.290 -6.888 1.00 0.00 C ATOM 875 C GLU A 54 -1.096 -2.710 -7.136 1.00 0.00 C ATOM 876 O GLU A 54 -1.799 -3.518 -7.738 1.00 0.00 O ATOM 877 CB GLU A 54 -0.904 -0.248 -7.764 1.00 0.00 C ATOM 878 CG GLU A 54 -1.360 -0.256 -9.228 1.00 0.00 C ATOM 879 CD GLU A 54 -2.744 0.363 -9.472 1.00 0.00 C ATOM 880 OE1 GLU A 54 -3.341 1.034 -8.596 1.00 0.00 O ATOM 881 OE2 GLU A 54 -3.241 0.235 -10.618 1.00 0.00 O ATOM 0 H GLU A 54 -0.897 -0.107 -5.337 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.677 -1.279 -7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.073 0.744 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.170 -0.431 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.625 0.283 -9.826 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.369 -1.286 -9.586 1.00 0.00 H new ATOM 888 N VAL A 55 0.101 -3.038 -6.638 1.00 0.00 N ATOM 889 CA VAL A 55 0.749 -4.333 -6.845 1.00 0.00 C ATOM 890 C VAL A 55 -0.133 -5.440 -6.286 1.00 0.00 C ATOM 891 O VAL A 55 -0.384 -6.438 -6.960 1.00 0.00 O ATOM 892 CB VAL A 55 2.165 -4.377 -6.211 1.00 0.00 C ATOM 893 CG1 VAL A 55 3.005 -5.531 -6.772 1.00 0.00 C ATOM 894 CG2 VAL A 55 2.897 -3.046 -6.364 1.00 0.00 C ATOM 0 H VAL A 55 0.655 -2.397 -6.070 1.00 0.00 H new ATOM 0 HA VAL A 55 0.878 -4.484 -7.917 1.00 0.00 H new ATOM 0 HB VAL A 55 2.025 -4.557 -5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.989 -5.527 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.508 -6.478 -6.563 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.117 -5.410 -7.849 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.884 -3.119 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.004 -2.809 -7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.327 -2.258 -5.872 1.00 0.00 H new ATOM 904 N LEU A 56 -0.599 -5.272 -5.049 1.00 0.00 N ATOM 905 CA LEU A 56 -1.318 -6.320 -4.351 1.00 0.00 C ATOM 906 C LEU A 56 -2.781 -6.402 -4.786 1.00 0.00 C ATOM 907 O LEU A 56 -3.425 -7.415 -4.513 1.00 0.00 O ATOM 908 CB LEU A 56 -1.215 -6.101 -2.836 1.00 0.00 C ATOM 909 CG LEU A 56 0.216 -5.968 -2.270 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.214 -6.980 -2.835 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.787 -4.560 -2.254 1.00 0.00 C ATOM 0 H LEU A 56 -0.487 -4.412 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.856 -7.272 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.772 -5.199 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.708 -6.933 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 56 0.069 -6.227 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.193 -6.816 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.875 -7.991 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.286 -6.855 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.794 -4.581 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.823 -4.170 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.154 -3.918 -1.641 1.00 0.00 H new ATOM 923 N SER A 57 -3.321 -5.370 -5.439 1.00 0.00 N ATOM 924 CA SER A 57 -4.695 -5.373 -5.927 1.00 0.00 C ATOM 925 C SER A 57 -4.884 -6.301 -7.129 1.00 0.00 C ATOM 926 O SER A 57 -6.019 -6.667 -7.448 1.00 0.00 O ATOM 927 CB SER A 57 -5.131 -3.938 -6.251 1.00 0.00 C ATOM 928 OG SER A 57 -4.492 -3.361 -7.379 1.00 0.00 O ATOM 0 H SER A 57 -2.814 -4.509 -5.643 1.00 0.00 H new ATOM 0 HA SER A 57 -5.333 -5.768 -5.137 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.208 -3.930 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.938 -3.310 -5.381 1.00 0.00 H new ATOM 0 HG SER A 57 -3.554 -3.643 -7.403 1.00 0.00 H new ATOM 934 N ASP A 58 -3.787 -6.679 -7.790 1.00 0.00 N ATOM 935 CA ASP A 58 -3.791 -7.412 -9.038 1.00 0.00 C ATOM 936 C ASP A 58 -3.252 -8.813 -8.798 1.00 0.00 C ATOM 937 O ASP A 58 -2.122 -8.968 -8.339 1.00 0.00 O ATOM 938 CB ASP A 58 -2.888 -6.717 -10.056 1.00 0.00 C ATOM 939 CG ASP A 58 -2.911 -7.463 -11.385 1.00 0.00 C ATOM 940 OD1 ASP A 58 -3.979 -7.994 -11.773 1.00 0.00 O ATOM 941 OD2 ASP A 58 -1.844 -7.593 -12.015 1.00 0.00 O ATOM 0 H ASP A 58 -2.847 -6.472 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.811 -7.455 -9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.219 -5.689 -10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.868 -6.672 -9.675 1.00 0.00 H new ATOM 946 N ALA A 59 -4.022 -9.847 -9.137 1.00 0.00 N ATOM 947 CA ALA A 59 -3.606 -11.232 -8.924 1.00 0.00 C ATOM 948 C ALA A 59 -2.417 -11.660 -9.799 1.00 0.00 C ATOM 949 O ALA A 59 -1.946 -12.792 -9.668 1.00 0.00 O ATOM 950 CB ALA A 59 -4.788 -12.166 -9.205 1.00 0.00 C ATOM 0 H ALA A 59 -4.944 -9.749 -9.563 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.280 -11.301 -7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.480 -13.200 -9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.610 -11.925 -8.531 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.115 -12.039 -10.237 1.00 0.00 H new ATOM 956 N LYS A 60 -1.945 -10.808 -10.712 1.00 0.00 N ATOM 957 CA LYS A 60 -0.894 -11.071 -11.679 1.00 0.00 C ATOM 958 C LYS A 60 0.369 -10.392 -11.170 1.00 0.00 C ATOM 959 O LYS A 60 1.326 -11.106 -10.878 1.00 0.00 O ATOM 960 CB LYS A 60 -1.408 -10.635 -13.039 1.00 0.00 C ATOM 961 CG LYS A 60 -0.306 -10.293 -14.038 1.00 0.00 C ATOM 962 CD LYS A 60 -0.944 -10.013 -15.395 1.00 0.00 C ATOM 963 CE LYS A 60 -1.341 -8.540 -15.600 1.00 0.00 C ATOM 964 NZ LYS A 60 -2.404 -8.060 -14.687 1.00 0.00 N ATOM 0 H LYS A 60 -2.313 -9.860 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.627 -12.121 -11.799 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.027 -11.430 -13.454 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.051 -9.764 -12.911 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.255 -9.423 -13.698 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.402 -11.118 -14.117 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.248 -10.305 -16.181 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.830 -10.638 -15.506 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.457 -7.916 -15.468 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.675 -8.406 -16.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.836 -7.199 -15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.131 -8.796 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.992 -7.847 -13.756 1.00 0.00 H new ATOM 978 N LYS A 61 0.347 -9.072 -10.927 1.00 0.00 N ATOM 979 CA LYS A 61 1.446 -8.419 -10.218 1.00 0.00 C ATOM 980 C LYS A 61 1.721 -9.126 -8.895 1.00 0.00 C ATOM 981 O LYS A 61 2.884 -9.399 -8.605 1.00 0.00 O ATOM 982 CB LYS A 61 1.202 -6.919 -9.992 1.00 0.00 C ATOM 983 CG LYS A 61 1.363 -6.087 -11.273 1.00 0.00 C ATOM 984 CD LYS A 61 1.801 -4.635 -10.994 1.00 0.00 C ATOM 985 CE LYS A 61 3.217 -4.470 -10.407 1.00 0.00 C ATOM 986 NZ LYS A 61 4.294 -4.325 -11.406 1.00 0.00 N ATOM 0 H LYS A 61 -0.410 -8.448 -11.208 1.00 0.00 H new ATOM 0 HA LYS A 61 2.326 -8.499 -10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.197 -6.775 -9.596 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.898 -6.553 -9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.098 -6.565 -11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.418 -6.078 -11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.745 -4.072 -11.925 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.086 -4.184 -10.305 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.225 -3.595 -9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.437 -5.334 -9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.111 -4.903 -11.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.951 -4.643 -12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.580 -3.327 -11.466 1.00 0.00 H new ATOM 1000 N ARG A 62 0.692 -9.459 -8.103 1.00 0.00 N ATOM 1001 CA ARG A 62 0.914 -10.185 -6.851 1.00 0.00 C ATOM 1002 C ARG A 62 1.613 -11.535 -7.075 1.00 0.00 C ATOM 1003 O ARG A 62 2.391 -11.947 -6.218 1.00 0.00 O ATOM 1004 CB ARG A 62 -0.384 -10.334 -6.034 1.00 0.00 C ATOM 1005 CG ARG A 62 -0.087 -11.070 -4.713 1.00 0.00 C ATOM 1006 CD ARG A 62 -1.064 -10.769 -3.576 1.00 0.00 C ATOM 1007 NE ARG A 62 -1.100 -11.910 -2.646 1.00 0.00 N ATOM 1008 CZ ARG A 62 -1.892 -12.988 -2.728 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -2.916 -13.030 -3.574 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -1.650 -14.021 -1.933 1.00 0.00 N ATOM 0 H ARG A 62 -0.284 -9.241 -8.304 1.00 0.00 H new ATOM 0 HA ARG A 62 1.596 -9.578 -6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.809 -9.352 -5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.126 -10.887 -6.610 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.092 -12.143 -4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.920 -10.809 -4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.758 -9.866 -3.049 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.060 -10.582 -3.978 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.455 -11.876 -1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.112 -12.231 -4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.506 -13.861 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.872 -13.986 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.242 -14.851 -1.980 1.00 0.00 H new ATOM 1024 N GLU A 63 1.363 -12.235 -8.183 1.00 0.00 N ATOM 1025 CA GLU A 63 1.973 -13.541 -8.429 1.00 0.00 C ATOM 1026 C GLU A 63 3.496 -13.408 -8.486 1.00 0.00 C ATOM 1027 O GLU A 63 4.204 -14.127 -7.773 1.00 0.00 O ATOM 1028 CB GLU A 63 1.428 -14.156 -9.731 1.00 0.00 C ATOM 1029 CG GLU A 63 1.700 -15.665 -9.805 1.00 0.00 C ATOM 1030 CD GLU A 63 2.127 -16.136 -11.197 1.00 0.00 C ATOM 1031 OE1 GLU A 63 1.292 -16.202 -12.129 1.00 0.00 O ATOM 1032 OE2 GLU A 63 3.307 -16.522 -11.364 1.00 0.00 O ATOM 0 H GLU A 63 0.740 -11.917 -8.926 1.00 0.00 H new ATOM 0 HA GLU A 63 1.715 -14.209 -7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.355 -13.976 -9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.887 -13.661 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.479 -15.922 -9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.801 -16.204 -9.507 1.00 0.00 H new ATOM 1039 N LEU A 64 3.979 -12.476 -9.316 1.00 0.00 N ATOM 1040 CA LEU A 64 5.408 -12.259 -9.524 1.00 0.00 C ATOM 1041 C LEU A 64 6.012 -11.577 -8.311 1.00 0.00 C ATOM 1042 O LEU A 64 7.155 -11.844 -7.981 1.00 0.00 O ATOM 1043 CB LEU A 64 5.664 -11.412 -10.782 1.00 0.00 C ATOM 1044 CG LEU A 64 5.672 -12.234 -12.086 1.00 0.00 C ATOM 1045 CD1 LEU A 64 4.374 -13.007 -12.318 1.00 0.00 C ATOM 1046 CD2 LEU A 64 5.948 -11.313 -13.274 1.00 0.00 C ATOM 0 H LEU A 64 3.385 -11.852 -9.862 1.00 0.00 H new ATOM 0 HA LEU A 64 5.880 -13.231 -9.666 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.897 -10.640 -10.853 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.621 -10.901 -10.678 1.00 0.00 H new ATOM 0 HG LEU A 64 6.465 -12.975 -11.988 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.444 -13.564 -13.252 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.211 -13.700 -11.493 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.539 -12.308 -12.375 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.953 -11.897 -14.194 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.171 -10.551 -13.332 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.918 -10.832 -13.144 1.00 0.00 H new ATOM 1058 N TYR A 65 5.274 -10.702 -7.636 1.00 0.00 N ATOM 1059 CA TYR A 65 5.676 -10.101 -6.373 1.00 0.00 C ATOM 1060 C TYR A 65 5.965 -11.150 -5.302 1.00 0.00 C ATOM 1061 O TYR A 65 6.869 -10.948 -4.494 1.00 0.00 O ATOM 1062 CB TYR A 65 4.572 -9.142 -5.936 1.00 0.00 C ATOM 1063 CG TYR A 65 4.634 -8.691 -4.499 1.00 0.00 C ATOM 1064 CD1 TYR A 65 5.531 -7.677 -4.128 1.00 0.00 C ATOM 1065 CD2 TYR A 65 3.812 -9.301 -3.532 1.00 0.00 C ATOM 1066 CE1 TYR A 65 5.601 -7.260 -2.788 1.00 0.00 C ATOM 1067 CE2 TYR A 65 3.872 -8.896 -2.190 1.00 0.00 C ATOM 1068 CZ TYR A 65 4.771 -7.869 -1.815 1.00 0.00 C ATOM 1069 OH TYR A 65 4.831 -7.462 -0.520 1.00 0.00 O ATOM 0 H TYR A 65 4.360 -10.385 -7.960 1.00 0.00 H new ATOM 0 HA TYR A 65 6.610 -9.557 -6.511 1.00 0.00 H new ATOM 0 HB2 TYR A 65 4.606 -8.261 -6.577 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.609 -9.623 -6.106 1.00 0.00 H new ATOM 0 HD1 TYR A 65 6.166 -7.218 -4.871 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.131 -10.086 -3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.286 -6.477 -2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.239 -9.363 -1.450 1.00 0.00 H new ATOM 0 HH TYR A 65 4.141 -7.924 0.001 1.00 0.00 H new ATOM 1079 N ASP A 66 5.252 -12.278 -5.295 1.00 0.00 N ATOM 1080 CA ASP A 66 5.402 -13.282 -4.247 1.00 0.00 C ATOM 1081 C ASP A 66 6.765 -13.962 -4.332 1.00 0.00 C ATOM 1082 O ASP A 66 7.360 -14.315 -3.311 1.00 0.00 O ATOM 1083 CB ASP A 66 4.282 -14.322 -4.343 1.00 0.00 C ATOM 1084 CG ASP A 66 4.136 -15.084 -3.023 1.00 0.00 C ATOM 1085 OD1 ASP A 66 3.655 -14.475 -2.048 1.00 0.00 O ATOM 1086 OD2 ASP A 66 4.463 -16.293 -2.957 1.00 0.00 O ATOM 0 H ASP A 66 4.563 -12.517 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 66 5.334 -12.779 -3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.342 -13.829 -4.590 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.497 -15.022 -5.151 1.00 0.00 H new ATOM 1091 N LYS A 67 7.278 -14.112 -5.553 1.00 0.00 N ATOM 1092 CA LYS A 67 8.588 -14.624 -5.889 1.00 0.00 C ATOM 1093 C LYS A 67 9.120 -13.882 -7.112 1.00 0.00 C ATOM 1094 O LYS A 67 8.967 -14.353 -8.241 1.00 0.00 O ATOM 1095 CB LYS A 67 8.513 -16.132 -6.129 1.00 0.00 C ATOM 1096 CG LYS A 67 7.289 -16.614 -6.922 1.00 0.00 C ATOM 1097 CD LYS A 67 7.601 -17.882 -7.720 1.00 0.00 C ATOM 1098 CE LYS A 67 8.211 -17.538 -9.083 1.00 0.00 C ATOM 1099 NZ LYS A 67 8.500 -18.762 -9.852 1.00 0.00 N ATOM 0 H LYS A 67 6.745 -13.859 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 67 9.279 -14.458 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.413 -16.443 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.521 -16.637 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.464 -16.808 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.961 -15.827 -7.601 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.292 -18.510 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.688 -18.460 -7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.524 -16.904 -9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.129 -16.967 -8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.912 -18.505 -10.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.173 -19.353 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.619 -19.293 -10.004 1.00 0.00 H new ATOM 1113 N GLY A 68 9.695 -12.703 -6.901 1.00 0.00 N ATOM 1114 CA GLY A 68 10.312 -11.930 -7.967 1.00 0.00 C ATOM 1115 C GLY A 68 10.282 -10.448 -7.633 1.00 0.00 C ATOM 1116 O GLY A 68 11.322 -9.872 -7.313 1.00 0.00 O ATOM 0 H GLY A 68 9.745 -12.258 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.342 -12.256 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.787 -12.108 -8.905 1.00 0.00 H new ATOM 1120 N GLY A 69 9.102 -9.825 -7.692 1.00 0.00 N ATOM 1121 CA GLY A 69 8.920 -8.429 -7.288 1.00 0.00 C ATOM 1122 C GLY A 69 9.655 -7.430 -8.175 1.00 0.00 C ATOM 1123 O GLY A 69 9.988 -6.332 -7.728 1.00 0.00 O ATOM 0 H GLY A 69 8.247 -10.274 -8.021 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.856 -8.194 -7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.264 -8.310 -6.261 1.00 0.00 H new ATOM 1127 N GLU A 70 9.894 -7.799 -9.430 1.00 0.00 N ATOM 1128 CA GLU A 70 10.788 -7.105 -10.346 1.00 0.00 C ATOM 1129 C GLU A 70 10.149 -7.009 -11.744 1.00 0.00 C ATOM 1130 O GLU A 70 10.857 -6.950 -12.750 1.00 0.00 O ATOM 1131 CB GLU A 70 12.129 -7.860 -10.326 1.00 0.00 C ATOM 1132 CG GLU A 70 13.312 -7.031 -10.852 1.00 0.00 C ATOM 1133 CD GLU A 70 14.519 -7.909 -11.175 1.00 0.00 C ATOM 1134 OE1 GLU A 70 14.354 -8.911 -11.910 1.00 0.00 O ATOM 1135 OE2 GLU A 70 15.647 -7.579 -10.728 1.00 0.00 O ATOM 0 H GLU A 70 9.454 -8.618 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 70 10.968 -6.073 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.343 -8.175 -9.305 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.035 -8.765 -10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 70 13.007 -6.489 -11.747 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.593 -6.286 -10.108 1.00 0.00 H new ATOM 1142 N GLN A 71 8.812 -7.076 -11.825 1.00 0.00 N ATOM 1143 CA GLN A 71 7.968 -6.782 -12.985 1.00 0.00 C ATOM 1144 C GLN A 71 6.637 -6.269 -12.437 1.00 0.00 C ATOM 1145 O GLN A 71 6.486 -6.165 -11.203 1.00 0.00 O ATOM 1146 CB GLN A 71 7.751 -8.018 -13.888 1.00 0.00 C ATOM 1147 CG GLN A 71 9.070 -8.616 -14.410 1.00 0.00 C ATOM 1148 CD GLN A 71 8.959 -9.720 -15.457 1.00 0.00 C ATOM 1149 OE1 GLN A 71 7.885 -10.103 -15.918 1.00 0.00 O ATOM 1150 NE2 GLN A 71 10.092 -10.277 -15.846 1.00 0.00 N ATOM 0 H GLN A 71 8.254 -7.359 -11.019 1.00 0.00 H new ATOM 0 HA GLN A 71 8.454 -6.040 -13.618 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.209 -8.780 -13.328 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.124 -7.738 -14.735 1.00 0.00 H new ATOM 0 HG2 GLN A 71 9.666 -7.807 -14.832 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.625 -9.010 -13.558 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.979 -9.954 -15.459 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.080 -11.030 -16.533 1.00 0.00 H new TER 1159 GLN A 71