USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 602 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 11 MET CE :methyl 166:sc= -0.115 (180deg=-0.538) USER MOD Set 1.2: A 48 HIS : no HD1:sc= -0.0784 X(o=-0.19,f=-0.26) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -0.0244 USER MOD Set 4.1: A 7 SER OG : rot 180:sc= -0.544 USER MOD Set 4.2: A 8 LYS NZ :NH3+ -161:sc= 0.286 (180deg=-0.21) USER MOD Single : A 1 SER N :NH3+ -116:sc= 0.0399 (180deg=0) USER MOD Single : A 1 SER OG : rot 130:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 29:sc= 0.0933 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0.00434 (180deg=0.00121) USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= -0.0196 (180deg=-0.219) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.3!) USER MOD Single : A 26 SER OG : rot -96:sc= 0.234 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -167:sc= -1.7 (180deg=-2.32) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 149:sc= 0.708 (180deg=0.15) USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.0378 (180deg=-0.309) USER MOD Single : A 60 LYS NZ :NH3+ 140:sc= 0.205 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0328 USER MOD Single : A 63 ASN : amide:sc= -0.105 K(o=-0.11,f=-2.2!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -147:sc= -0.33 (180deg=-0.958) USER MOD Single : A 69 TYR OH : rot -157:sc= 0.547 USER MOD Single : A 70 SER OG : rot 6:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.492 16.155 8.245 1.00 0.00 N ATOM 2 CA SER A 1 -0.062 14.806 8.702 1.00 0.00 C ATOM 3 C SER A 1 0.821 14.126 7.657 1.00 0.00 C ATOM 4 O SER A 1 0.784 14.474 6.475 1.00 0.00 O ATOM 5 CB SER A 1 -1.285 13.930 8.993 1.00 0.00 C ATOM 6 OG SER A 1 -2.044 14.455 10.069 1.00 0.00 O ATOM 0 H1 SER A 1 -0.096 16.879 8.878 1.00 0.00 H new ATOM 0 H2 SER A 1 -0.151 16.318 7.276 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.530 16.212 8.261 1.00 0.00 H new ATOM 0 HA SER A 1 0.519 14.932 9.616 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.909 13.864 8.102 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.962 12.917 9.232 1.00 0.00 H new ATOM 0 HG SER A 1 -2.987 14.512 9.807 1.00 0.00 H new ATOM 14 N ASP A 2 1.613 13.150 8.103 1.00 0.00 N ATOM 15 CA ASP A 2 2.509 12.418 7.211 1.00 0.00 C ATOM 16 C ASP A 2 2.050 10.969 7.044 1.00 0.00 C ATOM 17 O ASP A 2 1.302 10.442 7.871 1.00 0.00 O ATOM 18 CB ASP A 2 3.943 12.461 7.752 1.00 0.00 C ATOM 19 CG ASP A 2 4.974 12.065 6.712 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.393 12.944 5.928 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.362 10.878 6.680 1.00 0.00 O ATOM 0 H ASP A 2 1.651 12.849 9.077 1.00 0.00 H new ATOM 0 HA ASP A 2 2.484 12.897 6.232 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.162 13.467 8.110 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.023 11.793 8.610 1.00 0.00 H new ATOM 26 N VAL A 3 2.507 10.331 5.964 1.00 0.00 N ATOM 27 CA VAL A 3 2.155 8.939 5.677 1.00 0.00 C ATOM 28 C VAL A 3 2.620 8.007 6.800 1.00 0.00 C ATOM 29 O VAL A 3 1.953 7.019 7.111 1.00 0.00 O ATOM 30 CB VAL A 3 2.758 8.470 4.332 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.271 8.308 4.432 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.103 7.176 3.873 1.00 0.00 C ATOM 0 H VAL A 3 3.123 10.758 5.272 1.00 0.00 H new ATOM 0 HA VAL A 3 1.068 8.894 5.608 1.00 0.00 H new ATOM 0 HB VAL A 3 2.556 9.239 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.666 7.978 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.722 9.263 4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.508 7.567 5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.541 6.863 2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.265 6.401 4.622 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.033 7.336 3.743 1.00 0.00 H new ATOM 42 N TRP A 4 3.764 8.333 7.409 1.00 0.00 N ATOM 43 CA TRP A 4 4.312 7.532 8.500 1.00 0.00 C ATOM 44 C TRP A 4 3.579 7.825 9.809 1.00 0.00 C ATOM 45 O TRP A 4 3.295 6.908 10.582 1.00 0.00 O ATOM 46 CB TRP A 4 5.811 7.808 8.665 1.00 0.00 C ATOM 47 CG TRP A 4 6.673 6.604 8.428 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.712 5.463 9.176 1.00 0.00 C ATOM 49 CD2 TRP A 4 7.629 6.427 7.375 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.631 4.586 8.652 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.207 5.155 7.546 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.051 7.218 6.301 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.184 4.658 6.689 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.021 6.724 5.450 1.00 0.00 C ATOM 55 CH2 TRP A 4 9.579 5.455 5.648 1.00 0.00 C ATOM 0 H TRP A 4 4.327 9.147 7.162 1.00 0.00 H new ATOM 0 HA TRP A 4 4.171 6.480 8.252 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.105 8.597 7.973 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.994 8.183 9.672 1.00 0.00 H new ATOM 0 HD1 TRP A 4 6.109 5.277 10.052 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.849 3.662 9.025 1.00 0.00 H new ATOM 0 HE3 TRP A 4 7.626 8.198 6.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.615 3.679 6.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 9.354 7.327 4.618 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.336 5.098 4.966 1.00 0.00 H new ATOM 66 N SER A 5 3.276 9.106 10.053 1.00 0.00 N ATOM 67 CA SER A 5 2.552 9.508 11.260 1.00 0.00 C ATOM 68 C SER A 5 1.186 8.827 11.301 1.00 0.00 C ATOM 69 O SER A 5 0.838 8.177 12.288 1.00 0.00 O ATOM 70 CB SER A 5 2.386 11.030 11.301 1.00 0.00 C ATOM 71 OG SER A 5 1.724 11.443 12.484 1.00 0.00 O ATOM 0 H SER A 5 3.521 9.877 9.432 1.00 0.00 H new ATOM 0 HA SER A 5 3.127 9.199 12.133 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.365 11.507 11.244 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.819 11.360 10.430 1.00 0.00 H new ATOM 0 HG SER A 5 1.633 12.419 12.484 1.00 0.00 H new ATOM 77 N LEU A 6 0.416 8.983 10.222 1.00 0.00 N ATOM 78 CA LEU A 6 -0.907 8.375 10.127 1.00 0.00 C ATOM 79 C LEU A 6 -0.826 7.056 9.362 1.00 0.00 C ATOM 80 O LEU A 6 -1.240 6.965 8.203 1.00 0.00 O ATOM 81 CB LEU A 6 -1.894 9.328 9.444 1.00 0.00 C ATOM 82 CG LEU A 6 -2.221 10.604 10.226 1.00 0.00 C ATOM 83 CD1 LEU A 6 -3.274 11.418 9.490 1.00 0.00 C ATOM 84 CD2 LEU A 6 -2.694 10.268 11.635 1.00 0.00 C ATOM 0 H LEU A 6 0.689 9.526 9.403 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.268 8.175 11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.487 9.611 8.473 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.823 8.789 9.256 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.312 11.201 10.306 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.497 12.322 10.057 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.899 11.691 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.182 10.825 9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.921 11.189 12.172 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.590 9.650 11.580 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.910 9.724 12.162 1.00 0.00 H new ATOM 96 N SER A 7 -0.275 6.039 10.021 1.00 0.00 N ATOM 97 CA SER A 7 -0.123 4.719 9.417 1.00 0.00 C ATOM 98 C SER A 7 -1.131 3.711 9.980 1.00 0.00 C ATOM 99 O SER A 7 -1.020 2.511 9.729 1.00 0.00 O ATOM 100 CB SER A 7 1.308 4.212 9.616 1.00 0.00 C ATOM 101 OG SER A 7 1.634 4.118 10.992 1.00 0.00 O ATOM 0 H SER A 7 0.075 6.105 10.977 1.00 0.00 H new ATOM 0 HA SER A 7 -0.325 4.818 8.350 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.418 3.235 9.146 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.007 4.885 9.120 1.00 0.00 H new ATOM 0 HG SER A 7 2.553 3.790 11.089 1.00 0.00 H new ATOM 107 N LYS A 8 -2.120 4.201 10.734 1.00 0.00 N ATOM 108 CA LYS A 8 -3.147 3.337 11.311 1.00 0.00 C ATOM 109 C LYS A 8 -4.452 3.417 10.507 1.00 0.00 C ATOM 110 O LYS A 8 -5.532 3.137 11.035 1.00 0.00 O ATOM 111 CB LYS A 8 -3.400 3.729 12.771 1.00 0.00 C ATOM 112 CG LYS A 8 -2.138 3.778 13.624 1.00 0.00 C ATOM 113 CD LYS A 8 -1.394 2.450 13.607 1.00 0.00 C ATOM 114 CE LYS A 8 -0.107 2.516 14.415 1.00 0.00 C ATOM 115 NZ LYS A 8 0.863 3.498 13.851 1.00 0.00 N ATOM 0 H LYS A 8 -2.229 5.190 10.957 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.790 2.308 11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.882 4.706 12.796 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.098 3.018 13.212 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.482 4.567 13.258 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.402 4.034 14.650 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.037 1.667 14.010 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.164 2.175 12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.340 2.788 15.444 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.353 1.528 14.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.816 3.291 14.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.864 3.429 12.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.587 4.460 14.133 1.00 0.00 H new ATOM 129 N THR A 9 -4.346 3.787 9.225 1.00 0.00 N ATOM 130 CA THR A 9 -5.513 3.905 8.353 1.00 0.00 C ATOM 131 C THR A 9 -5.463 2.874 7.225 1.00 0.00 C ATOM 132 O THR A 9 -4.449 2.747 6.533 1.00 0.00 O ATOM 133 CB THR A 9 -5.622 5.319 7.740 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.439 5.628 6.988 1.00 0.00 O ATOM 135 CG2 THR A 9 -5.830 6.368 8.825 1.00 0.00 C ATOM 0 H THR A 9 -3.460 4.010 8.771 1.00 0.00 H new ATOM 0 HA THR A 9 -6.390 3.720 8.973 1.00 0.00 H new ATOM 0 HB THR A 9 -6.485 5.332 7.074 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.051 4.801 6.634 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.904 7.355 8.368 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.749 6.151 9.370 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.986 6.350 9.515 1.00 0.00 H new ATOM 143 N SER A 10 -6.563 2.141 7.045 1.00 0.00 N ATOM 144 CA SER A 10 -6.647 1.115 6.003 1.00 0.00 C ATOM 145 C SER A 10 -7.717 1.458 4.964 1.00 0.00 C ATOM 146 O SER A 10 -8.490 2.403 5.139 1.00 0.00 O ATOM 147 CB SER A 10 -6.952 -0.251 6.627 1.00 0.00 C ATOM 148 OG SER A 10 -8.153 -0.218 7.379 1.00 0.00 O ATOM 0 H SER A 10 -7.409 2.238 7.607 1.00 0.00 H new ATOM 0 HA SER A 10 -5.682 1.077 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.033 -1.002 5.841 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.126 -0.552 7.271 1.00 0.00 H new ATOM 0 HG SER A 10 -8.323 -1.103 7.763 1.00 0.00 H new ATOM 154 N MET A 11 -7.751 0.676 3.883 1.00 0.00 N ATOM 155 CA MET A 11 -8.725 0.876 2.811 1.00 0.00 C ATOM 156 C MET A 11 -9.284 -0.467 2.348 1.00 0.00 C ATOM 157 O MET A 11 -8.546 -1.445 2.217 1.00 0.00 O ATOM 158 CB MET A 11 -8.088 1.614 1.630 1.00 0.00 C ATOM 159 CG MET A 11 -9.073 1.984 0.530 1.00 0.00 C ATOM 160 SD MET A 11 -10.414 3.040 1.117 1.00 0.00 S ATOM 161 CE MET A 11 -9.497 4.452 1.728 1.00 0.00 C ATOM 0 H MET A 11 -7.112 -0.104 3.728 1.00 0.00 H new ATOM 0 HA MET A 11 -9.541 1.485 3.200 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.610 2.522 1.997 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.302 0.990 1.205 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.540 2.494 -0.272 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.494 1.073 0.104 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.180 5.286 1.892 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.011 4.191 2.668 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.742 4.740 0.997 1.00 0.00 H new ATOM 171 N THR A 12 -10.589 -0.501 2.091 1.00 0.00 N ATOM 172 CA THR A 12 -11.253 -1.724 1.654 1.00 0.00 C ATOM 173 C THR A 12 -11.195 -1.883 0.137 1.00 0.00 C ATOM 174 O THR A 12 -11.773 -1.087 -0.606 1.00 0.00 O ATOM 175 CB THR A 12 -12.726 -1.760 2.113 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.800 -1.601 3.535 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.394 -3.070 1.713 1.00 0.00 C ATOM 0 H THR A 12 -11.207 0.306 2.178 1.00 0.00 H new ATOM 0 HA THR A 12 -10.716 -2.552 2.116 1.00 0.00 H new ATOM 0 HB THR A 12 -13.251 -0.940 1.624 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.738 -1.623 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.431 -3.067 2.049 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.365 -3.177 0.629 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.865 -3.904 2.175 1.00 0.00 H new ATOM 185 N PHE A 13 -10.486 -2.918 -0.313 1.00 0.00 N ATOM 186 CA PHE A 13 -10.358 -3.214 -1.736 1.00 0.00 C ATOM 187 C PHE A 13 -11.309 -4.346 -2.099 1.00 0.00 C ATOM 188 O PHE A 13 -11.554 -5.241 -1.290 1.00 0.00 O ATOM 189 CB PHE A 13 -8.913 -3.598 -2.076 1.00 0.00 C ATOM 190 CG PHE A 13 -7.944 -2.449 -2.003 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.340 -1.160 -2.333 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.633 -2.659 -1.605 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.449 -0.106 -2.265 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.739 -1.609 -1.536 1.00 0.00 C ATOM 195 CZ PHE A 13 -6.147 -0.331 -1.867 1.00 0.00 C ATOM 0 H PHE A 13 -9.989 -3.569 0.295 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.616 -2.326 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.585 -4.381 -1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.886 -4.020 -3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.357 -0.979 -2.647 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.307 -3.655 -1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.771 0.892 -2.523 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.721 -1.787 -1.223 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.448 0.491 -1.814 1.00 0.00 H new ATOM 205 N GLN A 14 -11.844 -4.308 -3.317 1.00 0.00 N ATOM 206 CA GLN A 14 -12.776 -5.336 -3.769 1.00 0.00 C ATOM 207 C GLN A 14 -12.327 -5.957 -5.091 1.00 0.00 C ATOM 208 O GLN A 14 -12.305 -5.291 -6.128 1.00 0.00 O ATOM 209 CB GLN A 14 -14.189 -4.756 -3.903 1.00 0.00 C ATOM 210 CG GLN A 14 -14.286 -3.576 -4.859 1.00 0.00 C ATOM 211 CD GLN A 14 -15.618 -2.850 -4.769 1.00 0.00 C ATOM 212 OE1 GLN A 14 -16.650 -3.453 -4.472 1.00 0.00 O ATOM 213 NE2 GLN A 14 -15.600 -1.545 -5.024 1.00 0.00 N ATOM 0 H GLN A 14 -11.649 -3.580 -4.005 1.00 0.00 H new ATOM 0 HA GLN A 14 -12.789 -6.126 -3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.863 -5.542 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.537 -4.442 -2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.480 -2.874 -4.645 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.138 -3.929 -5.880 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.723 -1.085 -5.266 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.464 -1.004 -4.977 1.00 0.00 H new ATOM 222 N PRO A 15 -11.944 -7.249 -5.057 1.00 0.00 N ATOM 223 CA PRO A 15 -11.508 -7.991 -6.247 1.00 0.00 C ATOM 224 C PRO A 15 -12.459 -7.828 -7.429 1.00 0.00 C ATOM 225 O PRO A 15 -13.669 -7.671 -7.250 1.00 0.00 O ATOM 226 CB PRO A 15 -11.517 -9.444 -5.776 1.00 0.00 C ATOM 227 CG PRO A 15 -11.289 -9.376 -4.307 1.00 0.00 C ATOM 228 CD PRO A 15 -11.895 -8.082 -3.839 1.00 0.00 C ATOM 0 HA PRO A 15 -10.542 -7.637 -6.606 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.467 -9.927 -6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.737 -10.023 -6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.751 -10.225 -3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.224 -9.411 -4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.890 -8.236 -3.420 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.290 -7.616 -3.061 1.00 0.00 H new ATOM 236 N LYS A 16 -11.901 -7.876 -8.639 1.00 0.00 N ATOM 237 CA LYS A 16 -12.695 -7.755 -9.859 1.00 0.00 C ATOM 238 C LYS A 16 -13.642 -8.950 -9.999 1.00 0.00 C ATOM 239 O LYS A 16 -14.750 -8.815 -10.520 1.00 0.00 O ATOM 240 CB LYS A 16 -11.783 -7.659 -11.087 1.00 0.00 C ATOM 241 CG LYS A 16 -10.828 -6.474 -11.055 1.00 0.00 C ATOM 242 CD LYS A 16 -11.570 -5.147 -11.034 1.00 0.00 C ATOM 243 CE LYS A 16 -10.612 -3.981 -10.835 1.00 0.00 C ATOM 244 NZ LYS A 16 -11.327 -2.676 -10.770 1.00 0.00 N ATOM 0 H LYS A 16 -10.901 -7.998 -8.799 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.288 -6.843 -9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.203 -8.578 -11.169 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.401 -7.591 -11.982 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.189 -6.546 -10.175 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.175 -6.511 -11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.115 -5.018 -11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.309 -5.154 -10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.045 -4.130 -9.916 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.892 -3.960 -11.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.666 -1.933 -10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.706 -2.441 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.109 -2.742 -10.088 1.00 0.00 H new ATOM 258 N LYS A 17 -13.193 -10.118 -9.528 1.00 0.00 N ATOM 259 CA LYS A 17 -13.995 -11.337 -9.587 1.00 0.00 C ATOM 260 C LYS A 17 -14.523 -11.704 -8.201 1.00 0.00 C ATOM 261 O LYS A 17 -14.093 -11.141 -7.191 1.00 0.00 O ATOM 262 CB LYS A 17 -13.170 -12.504 -10.144 1.00 0.00 C ATOM 263 CG LYS A 17 -12.667 -12.296 -11.566 1.00 0.00 C ATOM 264 CD LYS A 17 -11.532 -11.283 -11.625 1.00 0.00 C ATOM 265 CE LYS A 17 -10.803 -11.336 -12.959 1.00 0.00 C ATOM 266 NZ LYS A 17 -10.014 -12.590 -13.117 1.00 0.00 N ATOM 0 H LYS A 17 -12.275 -10.241 -9.101 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.838 -11.148 -10.251 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.315 -12.673 -9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.777 -13.409 -10.115 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.325 -13.248 -11.973 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.489 -11.957 -12.196 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.930 -10.281 -11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.827 -11.478 -10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.527 -11.259 -13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.138 -10.477 -13.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.331 -12.475 -13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.504 -12.793 -12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.656 -13.379 -13.335 1.00 0.00 H new ATOM 280 N ALA A 18 -15.453 -12.655 -8.161 1.00 0.00 N ATOM 281 CA ALA A 18 -16.040 -13.112 -6.903 1.00 0.00 C ATOM 282 C ALA A 18 -15.158 -14.158 -6.214 1.00 0.00 C ATOM 283 O ALA A 18 -15.246 -14.345 -4.999 1.00 0.00 O ATOM 284 CB ALA A 18 -17.431 -13.677 -7.153 1.00 0.00 C ATOM 0 H ALA A 18 -15.818 -13.126 -8.989 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.114 -12.253 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.861 -14.015 -6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.066 -12.903 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.364 -14.518 -7.843 1.00 0.00 H new ATOM 290 N SER A 19 -14.310 -14.837 -6.995 1.00 0.00 N ATOM 291 CA SER A 19 -13.415 -15.866 -6.463 1.00 0.00 C ATOM 292 C SER A 19 -12.483 -15.305 -5.388 1.00 0.00 C ATOM 293 O SER A 19 -12.309 -15.916 -4.333 1.00 0.00 O ATOM 294 CB SER A 19 -12.590 -16.488 -7.593 1.00 0.00 C ATOM 295 OG SER A 19 -13.425 -17.128 -8.543 1.00 0.00 O ATOM 0 H SER A 19 -14.226 -14.690 -8.001 1.00 0.00 H new ATOM 0 HA SER A 19 -14.036 -16.634 -6.002 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.001 -15.714 -8.085 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.886 -17.210 -7.179 1.00 0.00 H new ATOM 0 HG SER A 19 -12.874 -17.515 -9.255 1.00 0.00 H new ATOM 301 N LEU A 20 -11.886 -14.142 -5.660 1.00 0.00 N ATOM 302 CA LEU A 20 -10.970 -13.505 -4.715 1.00 0.00 C ATOM 303 C LEU A 20 -11.735 -12.851 -3.561 1.00 0.00 C ATOM 304 O LEU A 20 -12.950 -12.653 -3.644 1.00 0.00 O ATOM 305 CB LEU A 20 -10.114 -12.456 -5.430 1.00 0.00 C ATOM 306 CG LEU A 20 -9.407 -12.934 -6.703 1.00 0.00 C ATOM 307 CD1 LEU A 20 -10.051 -12.318 -7.937 1.00 0.00 C ATOM 308 CD2 LEU A 20 -7.923 -12.598 -6.650 1.00 0.00 C ATOM 0 H LEU A 20 -12.022 -13.623 -6.528 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.322 -14.279 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.749 -11.608 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.360 -12.091 -4.732 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.511 -14.017 -6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.535 -12.669 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.100 -12.611 -7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.980 -11.232 -7.881 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.438 -12.945 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.797 -11.519 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.469 -13.089 -5.789 1.00 0.00 H new ATOM 320 N GLN A 21 -11.016 -12.514 -2.488 1.00 0.00 N ATOM 321 CA GLN A 21 -11.624 -11.883 -1.316 1.00 0.00 C ATOM 322 C GLN A 21 -11.090 -10.463 -1.115 1.00 0.00 C ATOM 323 O GLN A 21 -9.904 -10.207 -1.328 1.00 0.00 O ATOM 324 CB GLN A 21 -11.362 -12.712 -0.053 1.00 0.00 C ATOM 325 CG GLN A 21 -11.948 -14.116 -0.098 1.00 0.00 C ATOM 326 CD GLN A 21 -11.005 -15.129 -0.724 1.00 0.00 C ATOM 327 OE1 GLN A 21 -11.038 -15.364 -1.931 1.00 0.00 O ATOM 328 NE2 GLN A 21 -10.156 -15.738 0.099 1.00 0.00 N ATOM 0 H GLN A 21 -10.011 -12.668 -2.407 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.698 -11.832 -1.493 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.286 -12.784 0.104 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.775 -12.185 0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.195 -14.434 0.915 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.880 -14.097 -0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.161 -15.514 1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.500 -16.429 -0.265 1.00 0.00 H new ATOM 337 N PRO A 22 -11.966 -9.525 -0.697 1.00 0.00 N ATOM 338 CA PRO A 22 -11.594 -8.118 -0.457 1.00 0.00 C ATOM 339 C PRO A 22 -10.361 -7.961 0.434 1.00 0.00 C ATOM 340 O PRO A 22 -10.134 -8.760 1.344 1.00 0.00 O ATOM 341 CB PRO A 22 -12.834 -7.549 0.236 1.00 0.00 C ATOM 342 CG PRO A 22 -13.954 -8.368 -0.296 1.00 0.00 C ATOM 343 CD PRO A 22 -13.400 -9.758 -0.432 1.00 0.00 C ATOM 0 HA PRO A 22 -11.322 -7.610 -1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.759 -7.633 1.320 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.969 -6.492 0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.810 -8.350 0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.298 -7.986 -1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.552 -10.343 0.475 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.877 -10.304 -1.246 1.00 0.00 H new ATOM 351 N LEU A 23 -9.573 -6.917 0.164 1.00 0.00 N ATOM 352 CA LEU A 23 -8.357 -6.648 0.932 1.00 0.00 C ATOM 353 C LEU A 23 -8.481 -5.346 1.719 1.00 0.00 C ATOM 354 O LEU A 23 -8.654 -4.274 1.137 1.00 0.00 O ATOM 355 CB LEU A 23 -7.151 -6.572 -0.007 1.00 0.00 C ATOM 356 CG LEU A 23 -5.789 -6.845 0.645 1.00 0.00 C ATOM 357 CD1 LEU A 23 -4.707 -6.976 -0.416 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.432 -5.744 1.633 1.00 0.00 C ATOM 0 H LEU A 23 -9.756 -6.245 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.216 -7.465 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.297 -7.287 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.126 -5.580 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.856 -7.786 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.748 -7.169 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.951 -7.802 -1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.646 -6.051 -0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.463 -5.959 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.386 -4.788 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.191 -5.695 2.414 1.00 0.00 H new ATOM 370 N THR A 24 -8.386 -5.444 3.045 1.00 0.00 N ATOM 371 CA THR A 24 -8.479 -4.268 3.906 1.00 0.00 C ATOM 372 C THR A 24 -7.296 -4.204 4.874 1.00 0.00 C ATOM 373 O THR A 24 -7.383 -4.679 6.008 1.00 0.00 O ATOM 374 CB THR A 24 -9.802 -4.247 4.703 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.913 -4.407 3.812 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.955 -2.940 5.472 1.00 0.00 C ATOM 0 H THR A 24 -8.245 -6.323 3.544 1.00 0.00 H new ATOM 0 HA THR A 24 -8.456 -3.394 3.255 1.00 0.00 H new ATOM 0 HB THR A 24 -9.780 -5.071 5.416 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.748 -4.394 4.325 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.894 -2.951 6.025 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.125 -2.829 6.170 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.955 -2.104 4.772 1.00 0.00 H new ATOM 384 N ILE A 25 -6.186 -3.628 4.411 1.00 0.00 N ATOM 385 CA ILE A 25 -4.975 -3.533 5.225 1.00 0.00 C ATOM 386 C ILE A 25 -4.516 -2.087 5.410 1.00 0.00 C ATOM 387 O ILE A 25 -4.791 -1.223 4.573 1.00 0.00 O ATOM 388 CB ILE A 25 -3.829 -4.357 4.594 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.671 -4.522 5.583 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.343 -3.702 3.308 1.00 0.00 C ATOM 391 CD1 ILE A 25 -3.016 -5.376 6.784 1.00 0.00 C ATOM 0 H ILE A 25 -6.101 -3.221 3.479 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.223 -3.938 6.206 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.215 -5.347 4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.822 -4.966 5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.355 -3.537 5.927 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.537 -4.297 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.167 -3.641 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.977 -2.699 3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.149 -5.449 7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.845 -4.922 7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.303 -6.373 6.451 1.00 0.00 H new ATOM 403 N SER A 26 -3.810 -1.840 6.514 1.00 0.00 N ATOM 404 CA SER A 26 -3.295 -0.511 6.828 1.00 0.00 C ATOM 405 C SER A 26 -1.776 -0.447 6.639 1.00 0.00 C ATOM 406 O SER A 26 -1.113 -1.475 6.477 1.00 0.00 O ATOM 407 CB SER A 26 -3.659 -0.136 8.269 1.00 0.00 C ATOM 408 OG SER A 26 -3.243 1.183 8.579 1.00 0.00 O ATOM 0 H SER A 26 -3.582 -2.551 7.209 1.00 0.00 H new ATOM 0 HA SER A 26 -3.753 0.201 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.737 -0.222 8.408 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.192 -0.839 8.959 1.00 0.00 H new ATOM 0 HG SER A 26 -2.376 1.154 9.034 1.00 0.00 H new ATOM 414 N LEU A 27 -1.241 0.773 6.662 1.00 0.00 N ATOM 415 CA LEU A 27 0.196 1.011 6.507 1.00 0.00 C ATOM 416 C LEU A 27 1.007 0.290 7.586 1.00 0.00 C ATOM 417 O LEU A 27 1.785 -0.617 7.287 1.00 0.00 O ATOM 418 CB LEU A 27 0.484 2.515 6.573 1.00 0.00 C ATOM 419 CG LEU A 27 -0.263 3.368 5.543 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.149 4.827 5.656 1.00 0.00 C ATOM 421 CD2 LEU A 27 -0.012 2.849 4.134 1.00 0.00 C ATOM 0 H LEU A 27 -1.789 1.624 6.788 1.00 0.00 H new ATOM 0 HA LEU A 27 0.495 0.616 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.231 2.874 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.555 2.670 6.441 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.331 3.296 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.393 5.416 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.085 5.195 6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.221 4.917 5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.551 3.468 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.055 2.888 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.360 1.819 4.058 1.00 0.00 H new ATOM 433 N ASP A 28 0.805 0.694 8.839 1.00 0.00 N ATOM 434 CA ASP A 28 1.523 0.113 9.975 1.00 0.00 C ATOM 435 C ASP A 28 1.241 -1.385 10.121 1.00 0.00 C ATOM 436 O ASP A 28 2.094 -2.136 10.597 1.00 0.00 O ATOM 437 CB ASP A 28 1.131 0.839 11.266 1.00 0.00 C ATOM 438 CG ASP A 28 2.021 0.474 12.437 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.099 1.090 12.577 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.640 -0.425 13.216 1.00 0.00 O ATOM 0 H ASP A 28 0.144 1.428 9.096 1.00 0.00 H new ATOM 0 HA ASP A 28 2.590 0.236 9.789 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.178 1.915 11.101 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.097 0.599 11.513 1.00 0.00 H new ATOM 445 N GLU A 29 0.047 -1.812 9.707 1.00 0.00 N ATOM 446 CA GLU A 29 -0.348 -3.213 9.812 1.00 0.00 C ATOM 447 C GLU A 29 0.194 -4.066 8.656 1.00 0.00 C ATOM 448 O GLU A 29 -0.062 -5.271 8.611 1.00 0.00 O ATOM 449 CB GLU A 29 -1.877 -3.317 9.863 1.00 0.00 C ATOM 450 CG GLU A 29 -2.387 -4.647 10.395 1.00 0.00 C ATOM 451 CD GLU A 29 -3.898 -4.680 10.527 1.00 0.00 C ATOM 452 OE1 GLU A 29 -4.417 -4.172 11.543 1.00 0.00 O ATOM 453 OE2 GLU A 29 -4.563 -5.214 9.614 1.00 0.00 O ATOM 0 H GLU A 29 -0.662 -1.205 9.296 1.00 0.00 H new ATOM 0 HA GLU A 29 0.086 -3.604 10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.265 -2.514 10.489 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.276 -3.161 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.066 -5.448 9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.936 -4.842 11.368 1.00 0.00 H new ATOM 460 N LEU A 30 0.947 -3.460 7.725 1.00 0.00 N ATOM 461 CA LEU A 30 1.483 -4.222 6.597 1.00 0.00 C ATOM 462 C LEU A 30 2.956 -3.917 6.289 1.00 0.00 C ATOM 463 O LEU A 30 3.467 -4.342 5.253 1.00 0.00 O ATOM 464 CB LEU A 30 0.634 -3.986 5.347 1.00 0.00 C ATOM 465 CG LEU A 30 0.801 -5.035 4.243 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.397 -6.412 4.749 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.015 -4.655 3.018 1.00 0.00 C ATOM 0 H LEU A 30 1.192 -2.470 7.732 1.00 0.00 H new ATOM 0 HA LEU A 30 1.438 -5.270 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.415 -3.953 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.882 -3.007 4.937 1.00 0.00 H new ATOM 0 HG LEU A 30 1.852 -5.069 3.958 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.522 -7.144 3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.026 -6.687 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.647 -6.393 5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.116 -5.412 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.069 -4.591 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.322 -3.689 2.642 1.00 0.00 H new ATOM 479 N PHE A 31 3.645 -3.193 7.179 1.00 0.00 N ATOM 480 CA PHE A 31 5.061 -2.897 6.943 1.00 0.00 C ATOM 481 C PHE A 31 5.898 -3.202 8.183 1.00 0.00 C ATOM 482 O PHE A 31 5.486 -2.909 9.308 1.00 0.00 O ATOM 483 CB PHE A 31 5.275 -1.447 6.485 1.00 0.00 C ATOM 484 CG PHE A 31 4.523 -1.082 5.232 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.701 -1.803 4.062 1.00 0.00 C ATOM 486 CD2 PHE A 31 3.639 -0.014 5.228 1.00 0.00 C ATOM 487 CE1 PHE A 31 4.010 -1.466 2.913 1.00 0.00 C ATOM 488 CE2 PHE A 31 2.947 0.326 4.082 1.00 0.00 C ATOM 489 CZ PHE A 31 3.132 -0.401 2.924 1.00 0.00 C ATOM 0 H PHE A 31 3.260 -2.812 8.043 1.00 0.00 H new ATOM 0 HA PHE A 31 5.395 -3.547 6.134 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.971 -0.775 7.287 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.340 -1.283 6.318 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.387 -2.637 4.048 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.490 0.559 6.131 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.157 -2.036 2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.261 1.160 4.092 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.591 -0.137 2.028 1.00 0.00 H new ATOM 499 N SER A 32 7.075 -3.790 7.970 1.00 0.00 N ATOM 500 CA SER A 32 7.967 -4.151 9.072 1.00 0.00 C ATOM 501 C SER A 32 9.407 -3.707 8.795 1.00 0.00 C ATOM 502 O SER A 32 10.358 -4.327 9.278 1.00 0.00 O ATOM 503 CB SER A 32 7.936 -5.672 9.265 1.00 0.00 C ATOM 504 OG SER A 32 6.622 -6.127 9.539 1.00 0.00 O ATOM 0 H SER A 32 7.433 -4.027 7.045 1.00 0.00 H new ATOM 0 HA SER A 32 7.622 -3.644 9.973 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.314 -6.163 8.368 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.599 -5.951 10.084 1.00 0.00 H new ATOM 0 HG SER A 32 6.630 -7.100 9.656 1.00 0.00 H new ATOM 510 N SER A 33 9.568 -2.623 8.030 1.00 0.00 N ATOM 511 CA SER A 33 10.897 -2.114 7.698 1.00 0.00 C ATOM 512 C SER A 33 10.830 -0.682 7.168 1.00 0.00 C ATOM 513 O SER A 33 9.997 -0.367 6.314 1.00 0.00 O ATOM 514 CB SER A 33 11.571 -3.025 6.667 1.00 0.00 C ATOM 515 OG SER A 33 12.841 -2.522 6.286 1.00 0.00 O ATOM 0 H SER A 33 8.798 -2.085 7.632 1.00 0.00 H new ATOM 0 HA SER A 33 11.490 -2.107 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.684 -4.026 7.082 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.934 -3.115 5.787 1.00 0.00 H new ATOM 0 HG SER A 33 13.248 -3.125 5.629 1.00 0.00 H new ATOM 521 N ARG A 34 11.710 0.183 7.677 1.00 0.00 N ATOM 522 CA ARG A 34 11.757 1.579 7.240 1.00 0.00 C ATOM 523 C ARG A 34 12.141 1.667 5.765 1.00 0.00 C ATOM 524 O ARG A 34 11.505 2.388 4.993 1.00 0.00 O ATOM 525 CB ARG A 34 12.747 2.382 8.087 1.00 0.00 C ATOM 526 CG ARG A 34 12.289 2.597 9.519 1.00 0.00 C ATOM 527 CD ARG A 34 13.248 3.500 10.278 1.00 0.00 C ATOM 528 NE ARG A 34 12.796 3.762 11.645 1.00 0.00 N ATOM 529 CZ ARG A 34 13.295 4.724 12.424 1.00 0.00 C ATOM 530 NH1 ARG A 34 14.259 5.525 11.976 1.00 0.00 N ATOM 531 NH2 ARG A 34 12.828 4.888 13.658 1.00 0.00 N ATOM 0 H ARG A 34 12.398 -0.058 8.390 1.00 0.00 H new ATOM 0 HA ARG A 34 10.763 2.006 7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.707 1.866 8.095 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.911 3.352 7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.292 3.038 9.522 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.213 1.635 10.027 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.235 3.038 10.306 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.354 4.445 9.745 1.00 0.00 H new ATOM 0 HE ARG A 34 12.055 3.174 12.026 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.622 5.406 11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.634 6.258 12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.089 4.279 14.009 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.209 5.623 14.254 1.00 0.00 H new ATOM 545 N GLY A 35 13.188 0.929 5.381 1.00 0.00 N ATOM 546 CA GLY A 35 13.630 0.922 3.996 1.00 0.00 C ATOM 547 C GLY A 35 12.569 0.369 3.064 1.00 0.00 C ATOM 548 O GLY A 35 12.410 0.853 1.942 1.00 0.00 O ATOM 0 H GLY A 35 13.735 0.338 6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.886 1.937 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.537 0.324 3.908 1.00 0.00 H new ATOM 552 N GLU A 36 11.844 -0.655 3.527 1.00 0.00 N ATOM 553 CA GLU A 36 10.774 -1.259 2.736 1.00 0.00 C ATOM 554 C GLU A 36 9.723 -0.206 2.390 1.00 0.00 C ATOM 555 O GLU A 36 9.239 -0.151 1.259 1.00 0.00 O ATOM 556 CB GLU A 36 10.130 -2.418 3.503 1.00 0.00 C ATOM 557 CG GLU A 36 8.986 -3.096 2.760 1.00 0.00 C ATOM 558 CD GLU A 36 9.420 -3.728 1.450 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.834 -4.906 1.469 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.342 -3.049 0.405 1.00 0.00 O ATOM 0 H GLU A 36 11.981 -1.080 4.444 1.00 0.00 H new ATOM 0 HA GLU A 36 11.200 -1.651 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.895 -3.161 3.726 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.759 -2.046 4.458 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.549 -3.863 3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.204 -2.363 2.562 1.00 0.00 H new ATOM 567 N PHE A 37 9.381 0.630 3.377 1.00 0.00 N ATOM 568 CA PHE A 37 8.406 1.700 3.177 1.00 0.00 C ATOM 569 C PHE A 37 8.868 2.627 2.053 1.00 0.00 C ATOM 570 O PHE A 37 8.068 3.056 1.222 1.00 0.00 O ATOM 571 CB PHE A 37 8.208 2.493 4.473 1.00 0.00 C ATOM 572 CG PHE A 37 6.911 3.251 4.526 1.00 0.00 C ATOM 573 CD1 PHE A 37 6.777 4.471 3.884 1.00 0.00 C ATOM 574 CD2 PHE A 37 5.825 2.742 5.222 1.00 0.00 C ATOM 575 CE1 PHE A 37 5.586 5.170 3.934 1.00 0.00 C ATOM 576 CE2 PHE A 37 4.631 3.436 5.275 1.00 0.00 C ATOM 577 CZ PHE A 37 4.512 4.652 4.630 1.00 0.00 C ATOM 0 H PHE A 37 9.766 0.584 4.320 1.00 0.00 H new ATOM 0 HA PHE A 37 7.452 1.255 2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.252 1.807 5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.034 3.195 4.589 1.00 0.00 H new ATOM 0 HD1 PHE A 37 7.614 4.881 3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.913 1.792 5.729 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.495 6.120 3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.792 3.028 5.820 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.580 5.197 4.670 1.00 0.00 H new ATOM 587 N ILE A 38 10.163 2.958 2.053 1.00 0.00 N ATOM 588 CA ILE A 38 10.742 3.804 1.012 1.00 0.00 C ATOM 589 C ILE A 38 10.472 3.224 -0.378 1.00 0.00 C ATOM 590 O ILE A 38 9.951 3.919 -1.251 1.00 0.00 O ATOM 591 CB ILE A 38 12.268 3.971 1.205 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.567 4.622 2.562 1.00 0.00 C ATOM 593 CG2 ILE A 38 12.868 4.797 0.073 1.00 0.00 C ATOM 594 CD1 ILE A 38 11.863 5.948 2.773 1.00 0.00 C ATOM 0 H ILE A 38 10.828 2.652 2.763 1.00 0.00 H new ATOM 0 HA ILE A 38 10.267 4.781 1.094 1.00 0.00 H new ATOM 0 HB ILE A 38 12.726 2.982 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.274 3.935 3.356 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.643 4.774 2.652 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.942 4.902 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.687 4.297 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.405 5.784 0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.123 6.346 3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.174 6.652 2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.785 5.800 2.716 1.00 0.00 H new ATOM 606 N SER A 39 10.835 1.949 -0.578 1.00 0.00 N ATOM 607 CA SER A 39 10.627 1.292 -1.871 1.00 0.00 C ATOM 608 C SER A 39 9.149 1.326 -2.247 1.00 0.00 C ATOM 609 O SER A 39 8.777 1.970 -3.230 1.00 0.00 O ATOM 610 CB SER A 39 11.144 -0.149 -1.839 1.00 0.00 C ATOM 611 OG SER A 39 11.002 -0.773 -3.104 1.00 0.00 O ATOM 0 H SER A 39 11.269 1.360 0.132 1.00 0.00 H new ATOM 0 HA SER A 39 11.192 1.835 -2.629 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.193 -0.155 -1.543 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.597 -0.718 -1.087 1.00 0.00 H new ATOM 0 HG SER A 39 11.341 -1.691 -3.056 1.00 0.00 H new ATOM 617 N VAL A 40 8.317 0.607 -1.478 1.00 0.00 N ATOM 618 CA VAL A 40 6.874 0.519 -1.736 1.00 0.00 C ATOM 619 C VAL A 40 6.269 1.801 -2.312 1.00 0.00 C ATOM 620 O VAL A 40 5.385 1.726 -3.168 1.00 0.00 O ATOM 621 CB VAL A 40 6.074 0.095 -0.479 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.469 -1.306 -0.031 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.259 1.087 0.654 1.00 0.00 C ATOM 0 H VAL A 40 8.624 0.074 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 40 6.786 -0.258 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 40 5.018 0.086 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.894 -1.581 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.264 -2.016 -0.833 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.532 -1.325 0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.685 0.760 1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.315 1.144 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.911 2.070 0.337 1.00 0.00 H new ATOM 633 N GLY A 41 6.727 2.975 -1.859 1.00 0.00 N ATOM 634 CA GLY A 41 6.191 4.226 -2.373 1.00 0.00 C ATOM 635 C GLY A 41 5.932 5.235 -1.265 1.00 0.00 C ATOM 636 O GLY A 41 4.877 5.866 -1.232 1.00 0.00 O ATOM 0 H GLY A 41 7.454 3.077 -1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.890 4.651 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.262 4.029 -2.908 1.00 0.00 H new ATOM 640 N GLY A 42 6.908 5.395 -0.363 1.00 0.00 N ATOM 641 CA GLY A 42 6.751 6.315 0.752 1.00 0.00 C ATOM 642 C GLY A 42 7.570 7.584 0.611 1.00 0.00 C ATOM 643 O GLY A 42 8.764 7.599 0.912 1.00 0.00 O ATOM 0 H GLY A 42 7.801 4.903 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.698 6.581 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.037 5.808 1.674 1.00 0.00 H new ATOM 647 N ASP A 43 6.917 8.648 0.149 1.00 0.00 N ATOM 648 CA ASP A 43 7.562 9.952 -0.011 1.00 0.00 C ATOM 649 C ASP A 43 7.070 10.919 1.069 1.00 0.00 C ATOM 650 O ASP A 43 7.024 12.131 0.846 1.00 0.00 O ATOM 651 CB ASP A 43 7.231 10.522 -1.389 1.00 0.00 C ATOM 652 CG ASP A 43 7.708 9.633 -2.522 1.00 0.00 C ATOM 653 OD1 ASP A 43 6.951 8.723 -2.924 1.00 0.00 O ATOM 654 OD2 ASP A 43 8.839 9.845 -3.007 1.00 0.00 O ATOM 0 H ASP A 43 5.934 8.633 -0.123 1.00 0.00 H new ATOM 0 HA ASP A 43 8.640 9.827 0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.153 10.660 -1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.687 11.507 -1.489 1.00 0.00 H new ATOM 659 N GLY A 44 6.720 10.391 2.243 1.00 0.00 N ATOM 660 CA GLY A 44 6.257 11.238 3.325 1.00 0.00 C ATOM 661 C GLY A 44 4.827 11.704 3.152 1.00 0.00 C ATOM 662 O GLY A 44 3.919 11.181 3.793 1.00 0.00 O ATOM 0 H GLY A 44 6.750 9.395 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.343 10.694 4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.909 12.108 3.400 1.00 0.00 H new ATOM 666 N ARG A 45 4.625 12.691 2.284 1.00 0.00 N ATOM 667 CA ARG A 45 3.293 13.233 2.042 1.00 0.00 C ATOM 668 C ARG A 45 2.550 12.404 0.998 1.00 0.00 C ATOM 669 O ARG A 45 2.649 12.662 -0.204 1.00 0.00 O ATOM 670 CB ARG A 45 3.380 14.698 1.600 1.00 0.00 C ATOM 671 CG ARG A 45 3.753 15.655 2.725 1.00 0.00 C ATOM 672 CD ARG A 45 5.200 15.481 3.165 1.00 0.00 C ATOM 673 NE ARG A 45 6.144 15.700 2.068 1.00 0.00 N ATOM 674 CZ ARG A 45 7.384 15.206 2.039 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.837 14.452 3.039 1.00 0.00 N ATOM 676 NH2 ARG A 45 8.175 15.463 1.003 1.00 0.00 N ATOM 0 H ARG A 45 5.366 13.131 1.738 1.00 0.00 H new ATOM 0 HA ARG A 45 2.733 13.186 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.117 14.784 0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.420 15.000 1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.595 16.682 2.395 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.093 15.489 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.418 16.179 3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.338 14.476 3.565 1.00 0.00 H new ATOM 0 HE ARG A 45 5.835 16.265 1.277 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.235 14.247 3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.786 14.079 3.007 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.835 16.037 0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.123 15.086 0.979 1.00 0.00 H new ATOM 690 N MET A 46 1.815 11.397 1.470 1.00 0.00 N ATOM 691 CA MET A 46 1.044 10.525 0.587 1.00 0.00 C ATOM 692 C MET A 46 -0.303 11.164 0.243 1.00 0.00 C ATOM 693 O MET A 46 -0.745 12.099 0.915 1.00 0.00 O ATOM 694 CB MET A 46 0.826 9.161 1.245 1.00 0.00 C ATOM 695 CG MET A 46 0.666 8.021 0.252 1.00 0.00 C ATOM 696 SD MET A 46 2.221 7.178 -0.101 1.00 0.00 S ATOM 697 CE MET A 46 3.151 8.490 -0.891 1.00 0.00 C ATOM 0 H MET A 46 1.738 11.166 2.460 1.00 0.00 H new ATOM 0 HA MET A 46 1.608 10.385 -0.335 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.670 8.945 1.900 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.062 9.209 1.875 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.051 7.301 0.645 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.250 8.410 -0.677 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.036 8.071 -1.371 1.00 0.00 H new ATOM 0 HE2 MET A 46 2.528 8.977 -1.641 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.456 9.221 -0.142 1.00 0.00 H new ATOM 707 N SER A 47 -0.952 10.652 -0.800 1.00 0.00 N ATOM 708 CA SER A 47 -2.238 11.185 -1.235 1.00 0.00 C ATOM 709 C SER A 47 -3.412 10.543 -0.494 1.00 0.00 C ATOM 710 O SER A 47 -4.044 11.176 0.353 1.00 0.00 O ATOM 711 CB SER A 47 -2.405 10.994 -2.747 1.00 0.00 C ATOM 712 OG SER A 47 -3.623 11.559 -3.206 1.00 0.00 O ATOM 0 H SER A 47 -0.608 9.870 -1.358 1.00 0.00 H new ATOM 0 HA SER A 47 -2.244 12.249 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.567 11.457 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.382 9.931 -2.986 1.00 0.00 H new ATOM 0 HG SER A 47 -3.702 11.424 -4.173 1.00 0.00 H new ATOM 718 N HIS A 48 -3.688 9.278 -0.819 1.00 0.00 N ATOM 719 CA HIS A 48 -4.814 8.537 -0.250 1.00 0.00 C ATOM 720 C HIS A 48 -4.821 7.103 -0.778 1.00 0.00 C ATOM 721 O HIS A 48 -4.663 6.155 -0.006 1.00 0.00 O ATOM 722 CB HIS A 48 -6.128 9.238 -0.624 1.00 0.00 C ATOM 723 CG HIS A 48 -7.359 8.440 -0.316 1.00 0.00 C ATOM 724 ND1 HIS A 48 -8.028 8.523 0.886 1.00 0.00 N ATOM 725 CD2 HIS A 48 -8.044 7.544 -1.066 1.00 0.00 C ATOM 726 CE1 HIS A 48 -9.071 7.712 0.865 1.00 0.00 C ATOM 727 NE2 HIS A 48 -9.104 7.108 -0.309 1.00 0.00 N ATOM 0 H HIS A 48 -3.136 8.738 -1.485 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.713 8.510 0.835 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.183 10.189 -0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.114 9.467 -1.690 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.802 7.231 -2.071 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.776 7.568 1.670 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.804 6.428 -0.606 1.00 0.00 H new ATOM 736 N LYS A 49 -5.007 6.943 -2.088 1.00 0.00 N ATOM 737 CA LYS A 49 -4.992 5.622 -2.712 1.00 0.00 C ATOM 738 C LYS A 49 -3.571 5.055 -2.709 1.00 0.00 C ATOM 739 O LYS A 49 -3.376 3.840 -2.656 1.00 0.00 O ATOM 740 CB LYS A 49 -5.501 5.725 -4.151 1.00 0.00 C ATOM 741 CG LYS A 49 -5.809 4.380 -4.790 1.00 0.00 C ATOM 742 CD LYS A 49 -7.013 3.705 -4.143 1.00 0.00 C ATOM 743 CE LYS A 49 -8.280 4.540 -4.286 1.00 0.00 C ATOM 744 NZ LYS A 49 -8.670 4.737 -5.712 1.00 0.00 N ATOM 0 H LYS A 49 -5.170 7.713 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.642 4.956 -2.145 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.402 6.338 -4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.755 6.241 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.999 4.519 -5.854 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.939 3.730 -4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.169 2.728 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.809 3.534 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.096 4.052 -3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.127 5.511 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.705 4.815 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.232 5.608 -6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.345 3.926 -6.276 1.00 0.00 H new ATOM 758 N GLU A 50 -2.583 5.954 -2.761 1.00 0.00 N ATOM 759 CA GLU A 50 -1.174 5.576 -2.781 1.00 0.00 C ATOM 760 C GLU A 50 -0.754 4.840 -1.509 1.00 0.00 C ATOM 761 O GLU A 50 -0.225 3.732 -1.583 1.00 0.00 O ATOM 762 CB GLU A 50 -0.308 6.825 -2.962 1.00 0.00 C ATOM 763 CG GLU A 50 -0.496 7.515 -4.304 1.00 0.00 C ATOM 764 CD GLU A 50 -0.158 6.615 -5.481 1.00 0.00 C ATOM 765 OE1 GLU A 50 1.031 6.550 -5.856 1.00 0.00 O ATOM 766 OE2 GLU A 50 -1.085 5.977 -6.025 1.00 0.00 O ATOM 0 H GLU A 50 -2.741 6.961 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.030 4.893 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.537 7.533 -2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.740 6.548 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.529 7.850 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.132 8.405 -4.341 1.00 0.00 H new ATOM 773 N ALA A 51 -0.997 5.461 -0.347 1.00 0.00 N ATOM 774 CA ALA A 51 -0.616 4.871 0.942 1.00 0.00 C ATOM 775 C ALA A 51 -0.991 3.396 1.018 1.00 0.00 C ATOM 776 O ALA A 51 -0.107 2.551 1.171 1.00 0.00 O ATOM 777 CB ALA A 51 -1.229 5.646 2.101 1.00 0.00 C ATOM 0 H ALA A 51 -1.455 6.370 -0.274 1.00 0.00 H new ATOM 0 HA ALA A 51 0.469 4.939 1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.931 5.187 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.880 6.678 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.316 5.628 2.017 1.00 0.00 H new ATOM 783 N ILE A 52 -2.279 3.069 0.917 1.00 0.00 N ATOM 784 CA ILE A 52 -2.687 1.669 1.005 1.00 0.00 C ATOM 785 C ILE A 52 -1.967 0.853 -0.068 1.00 0.00 C ATOM 786 O ILE A 52 -1.442 -0.225 0.216 1.00 0.00 O ATOM 787 CB ILE A 52 -4.215 1.489 0.891 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.935 2.343 1.942 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.593 0.022 1.046 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.451 2.112 3.359 1.00 0.00 C ATOM 0 H ILE A 52 -3.039 3.735 0.778 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.404 1.306 1.993 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.528 1.822 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.805 3.396 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.004 2.134 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.674 -0.086 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.109 -0.563 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.267 -0.337 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.008 2.752 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.607 1.068 3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.389 2.349 3.424 1.00 0.00 H new ATOM 802 N LEU A 53 -1.955 1.370 -1.300 1.00 0.00 N ATOM 803 CA LEU A 53 -1.362 0.655 -2.435 1.00 0.00 C ATOM 804 C LEU A 53 0.077 0.199 -2.170 1.00 0.00 C ATOM 805 O LEU A 53 0.508 -0.819 -2.716 1.00 0.00 O ATOM 806 CB LEU A 53 -1.447 1.502 -3.707 1.00 0.00 C ATOM 807 CG LEU A 53 -0.935 0.840 -4.987 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.901 -0.234 -5.459 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.720 1.886 -6.073 1.00 0.00 C ATOM 0 H LEU A 53 -2.349 2.280 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.947 -0.253 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.487 1.788 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.884 2.421 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 53 0.022 0.364 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.518 -0.692 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.005 -0.995 -4.686 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.874 0.214 -5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.355 1.401 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.663 2.389 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.013 2.618 -5.733 1.00 0.00 H new ATOM 821 N LEU A 54 0.822 0.948 -1.349 1.00 0.00 N ATOM 822 CA LEU A 54 2.203 0.585 -1.016 1.00 0.00 C ATOM 823 C LEU A 54 2.317 -0.884 -0.582 1.00 0.00 C ATOM 824 O LEU A 54 3.333 -1.532 -0.834 1.00 0.00 O ATOM 825 CB LEU A 54 2.734 1.495 0.097 1.00 0.00 C ATOM 826 CG LEU A 54 3.479 2.751 -0.361 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.596 3.616 -1.247 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.958 3.543 0.847 1.00 0.00 C ATOM 0 H LEU A 54 0.493 1.805 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 54 2.803 0.717 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.894 1.802 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.402 0.910 0.729 1.00 0.00 H new ATOM 0 HG LEU A 54 4.344 2.442 -0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.150 4.502 -1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.296 3.048 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.709 3.919 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.487 4.435 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.101 3.836 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.630 2.926 1.444 1.00 0.00 H new ATOM 840 N GLY A 55 1.264 -1.397 0.071 1.00 0.00 N ATOM 841 CA GLY A 55 1.255 -2.777 0.543 1.00 0.00 C ATOM 842 C GLY A 55 1.677 -3.788 -0.511 1.00 0.00 C ATOM 843 O GLY A 55 2.450 -4.699 -0.220 1.00 0.00 O ATOM 0 H GLY A 55 0.414 -0.874 0.281 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.921 -2.862 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.252 -3.026 0.891 1.00 0.00 H new ATOM 847 N LEU A 56 1.155 -3.638 -1.733 1.00 0.00 N ATOM 848 CA LEU A 56 1.480 -4.553 -2.834 1.00 0.00 C ATOM 849 C LEU A 56 2.990 -4.750 -2.965 1.00 0.00 C ATOM 850 O LEU A 56 3.462 -5.883 -3.063 1.00 0.00 O ATOM 851 CB LEU A 56 0.912 -4.034 -4.158 1.00 0.00 C ATOM 852 CG LEU A 56 -0.574 -3.662 -4.137 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.068 -3.357 -5.543 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.396 -4.777 -3.505 1.00 0.00 C ATOM 0 H LEU A 56 0.506 -2.892 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 56 1.023 -5.515 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.484 -3.157 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.068 -4.795 -4.923 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.696 -2.764 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.125 -3.095 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.501 -2.522 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.932 -4.235 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.449 -4.494 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.270 -5.694 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.059 -4.942 -2.482 1.00 0.00 H new ATOM 866 N ARG A 57 3.741 -3.648 -2.972 1.00 0.00 N ATOM 867 CA ARG A 57 5.198 -3.715 -3.090 1.00 0.00 C ATOM 868 C ARG A 57 5.811 -4.493 -1.923 1.00 0.00 C ATOM 869 O ARG A 57 6.819 -5.181 -2.089 1.00 0.00 O ATOM 870 CB ARG A 57 5.801 -2.309 -3.154 1.00 0.00 C ATOM 871 CG ARG A 57 5.552 -1.585 -4.470 1.00 0.00 C ATOM 872 CD ARG A 57 4.167 -0.955 -4.517 1.00 0.00 C ATOM 873 NE ARG A 57 4.062 0.060 -5.565 1.00 0.00 N ATOM 874 CZ ARG A 57 3.207 1.087 -5.531 1.00 0.00 C ATOM 875 NH1 ARG A 57 2.357 1.226 -4.516 1.00 0.00 N ATOM 876 NH2 ARG A 57 3.198 1.975 -6.520 1.00 0.00 N ATOM 0 H ARG A 57 3.366 -2.702 -2.898 1.00 0.00 H new ATOM 0 HA ARG A 57 5.431 -4.241 -4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.390 -1.712 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.876 -2.378 -2.988 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.308 -0.812 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.660 -2.287 -5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.421 -1.731 -4.688 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.941 -0.503 -3.551 1.00 0.00 H new ATOM 0 HE ARG A 57 4.680 -0.021 -6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.355 0.546 -3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.708 2.013 -4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.843 1.872 -7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.546 2.759 -6.495 1.00 0.00 H new ATOM 890 N TYR A 58 5.198 -4.377 -0.742 1.00 0.00 N ATOM 891 CA TYR A 58 5.662 -5.084 0.451 1.00 0.00 C ATOM 892 C TYR A 58 5.423 -6.589 0.313 1.00 0.00 C ATOM 893 O TYR A 58 6.314 -7.401 0.570 1.00 0.00 O ATOM 894 CB TYR A 58 4.937 -4.556 1.694 1.00 0.00 C ATOM 895 CG TYR A 58 5.212 -5.354 2.952 1.00 0.00 C ATOM 896 CD1 TYR A 58 4.433 -6.457 3.279 1.00 0.00 C ATOM 897 CD2 TYR A 58 6.247 -5.005 3.810 1.00 0.00 C ATOM 898 CE1 TYR A 58 4.677 -7.191 4.424 1.00 0.00 C ATOM 899 CE2 TYR A 58 6.498 -5.734 4.958 1.00 0.00 C ATOM 900 CZ TYR A 58 5.712 -6.825 5.260 1.00 0.00 C ATOM 901 OH TYR A 58 5.960 -7.551 6.404 1.00 0.00 O ATOM 0 H TYR A 58 4.374 -3.796 -0.588 1.00 0.00 H new ATOM 0 HA TYR A 58 6.732 -4.908 0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.232 -3.520 1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.864 -4.555 1.503 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.622 -6.746 2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.865 -4.151 3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.062 -8.046 4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.307 -5.450 5.615 1.00 0.00 H new ATOM 0 HH TYR A 58 6.723 -7.162 6.880 1.00 0.00 H new ATOM 911 N LYS A 59 4.204 -6.941 -0.100 1.00 0.00 N ATOM 912 CA LYS A 59 3.804 -8.335 -0.285 1.00 0.00 C ATOM 913 C LYS A 59 4.432 -8.953 -1.541 1.00 0.00 C ATOM 914 O LYS A 59 4.394 -10.172 -1.715 1.00 0.00 O ATOM 915 CB LYS A 59 2.277 -8.429 -0.375 1.00 0.00 C ATOM 916 CG LYS A 59 1.553 -7.836 0.827 1.00 0.00 C ATOM 917 CD LYS A 59 1.920 -8.550 2.120 1.00 0.00 C ATOM 918 CE LYS A 59 1.331 -9.951 2.183 1.00 0.00 C ATOM 919 NZ LYS A 59 -0.160 -9.934 2.193 1.00 0.00 N ATOM 0 H LYS A 59 3.468 -6.268 -0.315 1.00 0.00 H new ATOM 0 HA LYS A 59 4.164 -8.897 0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.943 -7.917 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.992 -9.476 -0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.800 -6.778 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.476 -7.900 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.005 -8.608 2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.563 -7.968 2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.681 -10.529 1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.693 -10.456 3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.515 -10.855 2.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.494 -9.186 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.512 -9.750 1.232 1.00 0.00 H new ATOM 933 N LYS A 60 5.001 -8.111 -2.414 1.00 0.00 N ATOM 934 CA LYS A 60 5.632 -8.574 -3.652 1.00 0.00 C ATOM 935 C LYS A 60 4.579 -9.094 -4.634 1.00 0.00 C ATOM 936 O LYS A 60 4.573 -10.274 -4.993 1.00 0.00 O ATOM 937 CB LYS A 60 6.680 -9.662 -3.361 1.00 0.00 C ATOM 938 CG LYS A 60 7.612 -9.332 -2.203 1.00 0.00 C ATOM 939 CD LYS A 60 8.359 -8.027 -2.433 1.00 0.00 C ATOM 940 CE LYS A 60 9.250 -7.680 -1.249 1.00 0.00 C ATOM 941 NZ LYS A 60 9.854 -6.325 -1.385 1.00 0.00 N ATOM 0 H LYS A 60 5.036 -7.100 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 60 6.140 -7.725 -4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.166 -10.598 -3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.277 -9.826 -4.258 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.035 -9.263 -1.281 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.329 -10.143 -2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.965 -8.107 -3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.644 -7.222 -2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.666 -7.726 -0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.042 -8.423 -1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.851 -5.849 -0.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.833 -6.414 -1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.300 -5.765 -2.064 1.00 0.00 H new ATOM 955 N LEU A 61 3.685 -8.198 -5.059 1.00 0.00 N ATOM 956 CA LEU A 61 2.621 -8.561 -6.000 1.00 0.00 C ATOM 957 C LEU A 61 1.923 -7.330 -6.594 1.00 0.00 C ATOM 958 O LEU A 61 0.744 -7.393 -6.942 1.00 0.00 O ATOM 959 CB LEU A 61 1.595 -9.471 -5.309 1.00 0.00 C ATOM 960 CG LEU A 61 1.242 -9.092 -3.865 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.626 -7.703 -3.800 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.300 -10.121 -3.260 1.00 0.00 C ATOM 0 H LEU A 61 3.676 -7.220 -4.769 1.00 0.00 H new ATOM 0 HA LEU A 61 3.087 -9.097 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.679 -9.471 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.978 -10.491 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 61 2.164 -9.080 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.385 -7.460 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.335 -6.972 -4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.284 -7.680 -4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.060 -9.837 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.616 -10.166 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.780 -11.099 -3.262 1.00 0.00 H new ATOM 974 N TYR A 62 2.655 -6.223 -6.735 1.00 0.00 N ATOM 975 CA TYR A 62 2.090 -4.992 -7.294 1.00 0.00 C ATOM 976 C TYR A 62 1.635 -5.169 -8.753 1.00 0.00 C ATOM 977 O TYR A 62 0.835 -4.376 -9.254 1.00 0.00 O ATOM 978 CB TYR A 62 3.120 -3.860 -7.203 1.00 0.00 C ATOM 979 CG TYR A 62 2.609 -2.527 -7.703 1.00 0.00 C ATOM 980 CD1 TYR A 62 1.681 -1.802 -6.969 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.050 -1.998 -8.909 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.207 -0.588 -7.421 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.581 -0.782 -9.368 1.00 0.00 C ATOM 984 CZ TYR A 62 1.660 -0.081 -8.620 1.00 0.00 C ATOM 985 OH TYR A 62 1.189 1.130 -9.074 1.00 0.00 O ATOM 0 H TYR A 62 3.638 -6.153 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 62 1.207 -4.741 -6.706 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.436 -3.751 -6.165 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.003 -4.138 -7.777 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.324 -2.195 -6.028 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.771 -2.546 -9.498 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.484 -0.037 -6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.934 -0.383 -10.308 1.00 0.00 H new ATOM 0 HH TYR A 62 1.610 1.343 -9.933 1.00 0.00 H new ATOM 995 N ASN A 63 2.136 -6.211 -9.423 1.00 0.00 N ATOM 996 CA ASN A 63 1.795 -6.473 -10.823 1.00 0.00 C ATOM 997 C ASN A 63 0.303 -6.770 -11.021 1.00 0.00 C ATOM 998 O ASN A 63 -0.411 -5.977 -11.639 1.00 0.00 O ATOM 999 CB ASN A 63 2.633 -7.637 -11.365 1.00 0.00 C ATOM 1000 CG ASN A 63 4.110 -7.297 -11.479 1.00 0.00 C ATOM 1001 OD1 ASN A 63 4.642 -6.503 -10.702 1.00 0.00 O ATOM 1002 ND2 ASN A 63 4.784 -7.900 -12.454 1.00 0.00 N ATOM 0 H ASN A 63 2.781 -6.888 -9.016 1.00 0.00 H new ATOM 0 HA ASN A 63 2.022 -5.564 -11.379 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.513 -8.500 -10.711 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.255 -7.925 -12.346 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.779 -7.711 -12.579 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.306 -8.551 -13.077 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.164 -7.905 -10.496 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.565 -8.307 -10.655 1.00 0.00 C ATOM 1011 C GLN A 64 -2.447 -7.853 -9.485 1.00 0.00 C ATOM 1012 O GLN A 64 -3.663 -8.027 -9.546 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.657 -9.827 -10.832 1.00 0.00 C ATOM 1014 CG GLN A 64 -3.043 -10.317 -11.224 1.00 0.00 C ATOM 1015 CD GLN A 64 -3.067 -11.795 -11.568 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -2.877 -12.176 -12.723 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -3.303 -12.635 -10.566 1.00 0.00 N ATOM 0 H GLN A 64 0.404 -8.560 -9.959 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.944 -7.809 -11.548 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.943 -10.138 -11.594 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.361 -10.310 -9.901 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.736 -10.128 -10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.398 -9.743 -12.080 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.455 -12.275 -9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.332 -13.640 -10.739 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.878 -7.270 -8.431 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.691 -6.847 -7.289 1.00 0.00 C ATOM 1028 C ALA A 65 -3.499 -5.589 -7.603 1.00 0.00 C ATOM 1029 O ALA A 65 -4.669 -5.486 -7.231 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.818 -6.622 -6.068 1.00 0.00 C ATOM 0 H ALA A 65 -0.879 -7.082 -8.342 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.398 -7.649 -7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.439 -6.308 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.304 -7.549 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.082 -5.847 -6.284 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.871 -4.637 -8.291 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.527 -3.380 -8.650 1.00 0.00 C ATOM 1038 C ARG A 66 -4.606 -3.583 -9.724 1.00 0.00 C ATOM 1039 O ARG A 66 -5.551 -2.796 -9.809 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.485 -2.365 -9.131 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.066 -1.006 -9.486 1.00 0.00 C ATOM 1042 CD ARG A 66 -1.973 0.025 -9.736 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.099 -0.350 -10.850 1.00 0.00 N ATOM 1044 CZ ARG A 66 -0.413 0.525 -11.592 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -0.511 1.833 -11.363 1.00 0.00 N ATOM 1046 NH2 ARG A 66 0.373 0.088 -12.569 1.00 0.00 N ATOM 0 H ARG A 66 -1.906 -4.712 -8.612 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.022 -2.997 -7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.733 -2.235 -8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.974 -2.770 -10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.690 -1.098 -10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.712 -0.663 -8.677 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.430 0.992 -9.945 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.375 0.144 -8.832 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.008 -1.341 -11.074 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.114 2.176 -10.615 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.017 2.492 -11.935 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.452 -0.912 -12.751 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.898 0.753 -13.137 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.467 -4.637 -10.536 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.437 -4.918 -11.598 1.00 0.00 C ATOM 1062 C VAL A 67 -6.507 -5.918 -11.148 1.00 0.00 C ATOM 1063 O VAL A 67 -7.683 -5.764 -11.486 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.753 -5.450 -12.880 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -3.831 -4.394 -13.469 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -3.987 -6.737 -12.607 1.00 0.00 C ATOM 0 H VAL A 67 -3.698 -5.304 -10.478 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.917 -3.966 -11.823 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.534 -5.676 -13.606 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.358 -4.785 -14.370 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.409 -3.505 -13.720 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.063 -4.134 -12.740 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.519 -7.084 -13.528 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.218 -6.551 -11.857 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.675 -7.499 -12.240 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.099 -6.936 -10.387 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.032 -7.956 -9.901 1.00 0.00 C ATOM 1078 C LYS A 68 -7.984 -7.382 -8.851 1.00 0.00 C ATOM 1079 O LYS A 68 -9.128 -7.822 -8.740 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.268 -9.149 -9.321 1.00 0.00 C ATOM 1081 CG LYS A 68 -7.132 -10.379 -9.084 1.00 0.00 C ATOM 1082 CD LYS A 68 -7.814 -10.855 -10.363 1.00 0.00 C ATOM 1083 CE LYS A 68 -6.808 -11.301 -11.417 1.00 0.00 C ATOM 1084 NZ LYS A 68 -6.423 -10.192 -12.338 1.00 0.00 N ATOM 0 H LYS A 68 -5.132 -7.076 -10.095 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.626 -8.294 -10.750 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.456 -9.413 -9.999 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.811 -8.851 -8.377 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.515 -11.183 -8.681 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.889 -10.151 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.485 -11.682 -10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.429 -10.050 -10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.916 -11.687 -10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.232 -12.121 -11.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.235 -10.577 -13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.198 -9.501 -12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.567 -9.724 -11.978 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.500 -6.412 -8.076 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.311 -5.769 -7.044 1.00 0.00 C ATOM 1100 C TYR A 69 -8.642 -4.331 -7.440 1.00 0.00 C ATOM 1101 O TYR A 69 -7.948 -3.728 -8.262 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.574 -5.788 -5.701 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.593 -7.132 -5.005 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -7.071 -8.264 -5.618 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.130 -7.264 -3.731 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -7.084 -9.490 -4.982 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -8.147 -8.487 -3.088 1.00 0.00 C ATOM 1108 CZ TYR A 69 -7.623 -9.597 -3.719 1.00 0.00 C ATOM 1109 OH TYR A 69 -7.637 -10.817 -3.083 1.00 0.00 O ATOM 0 H TYR A 69 -6.547 -6.054 -8.144 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.243 -6.325 -6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.538 -5.489 -5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.021 -5.043 -5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.648 -8.184 -6.608 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.541 -6.397 -3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.674 -10.360 -5.473 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.568 -8.574 -2.097 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.347 -10.825 -2.407 1.00 0.00 H new ATOM 1119 N SER A 70 -9.706 -3.785 -6.852 1.00 0.00 N ATOM 1120 CA SER A 70 -10.128 -2.417 -7.146 1.00 0.00 C ATOM 1121 C SER A 70 -9.270 -1.405 -6.387 1.00 0.00 C ATOM 1122 O SER A 70 -9.611 -0.992 -5.276 1.00 0.00 O ATOM 1123 CB SER A 70 -11.608 -2.224 -6.798 1.00 0.00 C ATOM 1124 OG SER A 70 -12.059 -0.933 -7.176 1.00 0.00 O ATOM 0 H SER A 70 -10.290 -4.269 -6.170 1.00 0.00 H new ATOM 0 HA SER A 70 -9.994 -2.246 -8.214 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.205 -2.983 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.754 -2.364 -5.727 1.00 0.00 H new ATOM 0 HG SER A 70 -11.347 -0.467 -7.662 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.145 -1.019 -6.993 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.233 -0.051 -6.388 1.00 0.00 C ATOM 1132 C LEU A 71 -7.107 1.188 -7.271 1.00 0.00 C ATOM 1133 O LEU A 71 -7.617 2.256 -6.928 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.851 -0.678 -6.158 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.777 -1.722 -5.039 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.482 -3.004 -5.445 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.331 -2.006 -4.668 1.00 0.00 C ATOM 0 H LEU A 71 -7.845 -1.364 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.644 0.246 -5.423 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.524 -1.144 -7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.142 0.119 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.286 -1.316 -4.165 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.415 -3.729 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.530 -2.792 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.008 -3.413 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.299 -2.750 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.799 -2.385 -5.541 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.856 -1.087 -4.325 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.430 1.039 -8.410 1.00 0.00 N ATOM 1150 CA LEU A 72 -6.240 2.145 -9.343 1.00 0.00 C ATOM 1151 C LEU A 72 -7.085 1.941 -10.596 1.00 0.00 C ATOM 1152 O LEU A 72 -6.722 1.169 -11.487 1.00 0.00 O ATOM 1153 CB LEU A 72 -4.758 2.289 -9.716 1.00 0.00 C ATOM 1154 CG LEU A 72 -3.875 2.981 -8.669 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -4.313 4.424 -8.468 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -3.906 2.226 -7.347 1.00 0.00 C ATOM 0 H LEU A 72 -6.004 0.161 -8.707 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.564 3.063 -8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.352 1.296 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.689 2.848 -10.649 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.849 2.979 -9.038 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.675 4.897 -7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.231 4.964 -9.411 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.348 4.446 -8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.272 2.736 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.929 2.189 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.539 1.211 -7.499 1.00 0.00 H new ATOM 1168 N GLU A 73 -8.223 2.633 -10.650 1.00 0.00 N ATOM 1169 CA GLU A 73 -9.135 2.534 -11.786 1.00 0.00 C ATOM 1170 C GLU A 73 -9.057 3.785 -12.658 1.00 0.00 C ATOM 1171 O GLU A 73 -9.584 4.840 -12.238 1.00 0.00 O ATOM 1172 CB GLU A 73 -10.574 2.315 -11.298 1.00 0.00 C ATOM 1173 CG GLU A 73 -10.844 0.911 -10.770 1.00 0.00 C ATOM 1174 CD GLU A 73 -9.960 0.533 -9.595 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -10.154 1.095 -8.497 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -9.072 -0.328 -9.775 1.00 0.00 O ATOM 0 H GLU A 73 -8.535 3.270 -9.917 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.834 1.678 -12.390 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.793 3.036 -10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.260 2.521 -12.119 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.889 0.838 -10.468 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.694 0.192 -11.575 1.00 0.00 H new TER 1183 GLU A 73