USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 439 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc= -0.895! C(o=-0.9!,f=-4.4!) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 7:sc= 0.883 USER MOD Single : A 21 HIS : no HD1:sc= -2.29 K(o=-2.3,f=-2.9!) USER MOD Single : A 23 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.1) USER MOD Single : A 26 ASN : amide:sc= -5.21! C(o=-5.2!,f=-13!) USER MOD Single : A 27 TYR OH : rot -77:sc= -0.238 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 143:sc= -0.656 (180deg=-2.28!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.827 K(o=-0.83,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.4!) USER MOD Single : A 42 MET CE :methyl -173:sc= 0 (180deg=-0.0161) USER MOD Single : A 43 MET CE :methyl 160:sc= -0.326 (180deg=-1.22!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.952 USER MOD Single : A 50 ASN : amide:sc= -1.32 K(o=-1.3,f=-5.3!) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00725) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0.018) USER MOD Single : A 63 THR OG1 : rot 38:sc= 0.124 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.744 45.122 28.759 1.00 0.00 N ATOM 2 CA GLY A 1 -17.913 43.990 27.866 1.00 0.00 C ATOM 3 C GLY A 1 -18.292 44.412 26.460 1.00 0.00 C ATOM 4 O GLY A 1 -19.138 45.287 26.275 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.486 44.781 29.707 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.991 45.741 28.396 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.634 45.656 28.814 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.987 43.416 27.833 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.683 43.329 28.264 1.00 0.00 H new ATOM 8 N SER A 2 -17.664 43.791 25.467 1.00 0.00 N ATOM 9 CA SER A 2 -17.937 44.111 24.071 1.00 0.00 C ATOM 10 C SER A 2 -17.755 42.881 23.187 1.00 0.00 C ATOM 11 O SER A 2 -16.778 42.145 23.321 1.00 0.00 O ATOM 12 CB SER A 2 -17.017 45.236 23.595 1.00 0.00 C ATOM 13 OG SER A 2 -15.656 44.850 23.673 1.00 0.00 O ATOM 0 H SER A 2 -16.962 43.063 25.603 1.00 0.00 H new ATOM 0 HA SER A 2 -18.973 44.442 23.995 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.264 45.502 22.567 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.181 46.126 24.203 1.00 0.00 H new ATOM 0 HG SER A 2 -15.089 45.586 23.361 1.00 0.00 H new ATOM 19 N SER A 3 -18.704 42.665 22.281 1.00 0.00 N ATOM 20 CA SER A 3 -18.652 41.523 21.376 1.00 0.00 C ATOM 21 C SER A 3 -19.096 41.922 19.972 1.00 0.00 C ATOM 22 O SER A 3 -19.646 43.003 19.766 1.00 0.00 O ATOM 23 CB SER A 3 -19.536 40.390 21.900 1.00 0.00 C ATOM 24 OG SER A 3 -19.012 39.847 23.099 1.00 0.00 O ATOM 0 H SER A 3 -19.518 43.266 22.155 1.00 0.00 H new ATOM 0 HA SER A 3 -17.620 41.176 21.327 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.545 40.764 22.077 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.614 39.607 21.146 1.00 0.00 H new ATOM 0 HG SER A 3 -19.596 39.126 23.414 1.00 0.00 H new ATOM 30 N GLY A 4 -18.852 41.040 19.008 1.00 0.00 N ATOM 31 CA GLY A 4 -19.232 41.317 17.635 1.00 0.00 C ATOM 32 C GLY A 4 -18.294 40.674 16.633 1.00 0.00 C ATOM 33 O GLY A 4 -17.095 40.952 16.627 1.00 0.00 O ATOM 0 H GLY A 4 -18.398 40.138 19.153 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.246 40.956 17.462 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.246 42.395 17.475 1.00 0.00 H new ATOM 37 N SER A 5 -18.841 39.810 15.783 1.00 0.00 N ATOM 38 CA SER A 5 -18.043 39.122 14.774 1.00 0.00 C ATOM 39 C SER A 5 -18.792 39.048 13.447 1.00 0.00 C ATOM 40 O SER A 5 -19.949 39.457 13.351 1.00 0.00 O ATOM 41 CB SER A 5 -17.687 37.712 15.251 1.00 0.00 C ATOM 42 OG SER A 5 -17.018 37.750 16.500 1.00 0.00 O ATOM 0 H SER A 5 -19.832 39.570 15.773 1.00 0.00 H new ATOM 0 HA SER A 5 -17.125 39.690 14.622 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.594 37.114 15.339 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.054 37.223 14.510 1.00 0.00 H new ATOM 0 HG SER A 5 -16.803 36.837 16.784 1.00 0.00 H new ATOM 48 N SER A 6 -18.123 38.522 12.426 1.00 0.00 N ATOM 49 CA SER A 6 -18.722 38.397 11.102 1.00 0.00 C ATOM 50 C SER A 6 -18.045 37.289 10.302 1.00 0.00 C ATOM 51 O SER A 6 -17.036 36.729 10.727 1.00 0.00 O ATOM 52 CB SER A 6 -18.621 39.723 10.346 1.00 0.00 C ATOM 53 OG SER A 6 -17.269 40.108 10.170 1.00 0.00 O ATOM 0 H SER A 6 -17.166 38.175 12.490 1.00 0.00 H new ATOM 0 HA SER A 6 -19.773 38.139 11.229 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.105 39.629 9.374 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.155 40.499 10.894 1.00 0.00 H new ATOM 0 HG SER A 6 -17.232 40.957 9.683 1.00 0.00 H new ATOM 59 N GLY A 7 -18.609 36.978 9.138 1.00 0.00 N ATOM 60 CA GLY A 7 -18.048 35.939 8.296 1.00 0.00 C ATOM 61 C GLY A 7 -16.983 36.467 7.355 1.00 0.00 C ATOM 62 O GLY A 7 -17.205 37.443 6.640 1.00 0.00 O ATOM 0 H GLY A 7 -19.445 37.428 8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.619 35.159 8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.846 35.477 7.714 1.00 0.00 H new ATOM 66 N GLY A 8 -15.821 35.821 7.356 1.00 0.00 N ATOM 67 CA GLY A 8 -14.734 36.248 6.494 1.00 0.00 C ATOM 68 C GLY A 8 -14.433 35.242 5.401 1.00 0.00 C ATOM 69 O GLY A 8 -15.294 34.932 4.578 1.00 0.00 O ATOM 0 H GLY A 8 -15.613 35.010 7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -14.988 37.207 6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.838 36.406 7.095 1.00 0.00 H new ATOM 73 N SER A 9 -13.206 34.732 5.390 1.00 0.00 N ATOM 74 CA SER A 9 -12.791 33.759 4.386 1.00 0.00 C ATOM 75 C SER A 9 -13.310 32.366 4.732 1.00 0.00 C ATOM 76 O SER A 9 -12.582 31.539 5.279 1.00 0.00 O ATOM 77 CB SER A 9 -11.266 33.733 4.270 1.00 0.00 C ATOM 78 OG SER A 9 -10.848 32.865 3.231 1.00 0.00 O ATOM 0 H SER A 9 -12.481 34.976 6.065 1.00 0.00 H new ATOM 0 HA SER A 9 -13.216 34.059 3.428 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.896 34.740 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.832 33.409 5.216 1.00 0.00 H new ATOM 0 HG SER A 9 -9.870 32.867 3.177 1.00 0.00 H new ATOM 84 N GLY A 10 -14.575 32.116 4.409 1.00 0.00 N ATOM 85 CA GLY A 10 -15.171 30.823 4.692 1.00 0.00 C ATOM 86 C GLY A 10 -14.542 29.705 3.884 1.00 0.00 C ATOM 87 O GLY A 10 -13.925 29.950 2.847 1.00 0.00 O ATOM 0 H GLY A 10 -15.198 32.785 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -15.066 30.603 5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.239 30.864 4.479 1.00 0.00 H new ATOM 91 N HIS A 11 -14.698 28.474 4.360 1.00 0.00 N ATOM 92 CA HIS A 11 -14.140 27.313 3.674 1.00 0.00 C ATOM 93 C HIS A 11 -15.246 26.461 3.061 1.00 0.00 C ATOM 94 O HIS A 11 -16.396 26.509 3.497 1.00 0.00 O ATOM 95 CB HIS A 11 -13.310 26.472 4.645 1.00 0.00 C ATOM 96 CG HIS A 11 -14.068 26.040 5.862 1.00 0.00 C ATOM 97 ND1 HIS A 11 -15.372 25.595 5.818 1.00 0.00 N ATOM 98 CD2 HIS A 11 -13.697 25.986 7.163 1.00 0.00 C ATOM 99 CE1 HIS A 11 -15.772 25.287 7.039 1.00 0.00 C ATOM 100 NE2 HIS A 11 -14.773 25.515 7.874 1.00 0.00 N ATOM 0 H HIS A 11 -15.206 28.254 5.217 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.495 27.671 2.871 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -12.941 25.588 4.124 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.437 27.046 4.956 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -15.940 25.516 4.974 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -12.734 26.262 7.566 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -16.749 24.913 7.309 1.00 0.00 H new ATOM 109 N PHE A 12 -14.891 25.680 2.045 1.00 0.00 N ATOM 110 CA PHE A 12 -15.854 24.818 1.370 1.00 0.00 C ATOM 111 C PHE A 12 -15.563 23.348 1.658 1.00 0.00 C ATOM 112 O PHE A 12 -16.411 22.629 2.188 1.00 0.00 O ATOM 113 CB PHE A 12 -15.825 25.069 -0.139 1.00 0.00 C ATOM 114 CG PHE A 12 -16.344 26.423 -0.532 1.00 0.00 C ATOM 115 CD1 PHE A 12 -15.516 27.533 -0.500 1.00 0.00 C ATOM 116 CD2 PHE A 12 -17.661 26.585 -0.933 1.00 0.00 C ATOM 117 CE1 PHE A 12 -15.992 28.780 -0.860 1.00 0.00 C ATOM 118 CE2 PHE A 12 -18.142 27.829 -1.295 1.00 0.00 C ATOM 119 CZ PHE A 12 -17.306 28.928 -1.259 1.00 0.00 C ATOM 0 H PHE A 12 -13.943 25.627 1.672 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.847 25.055 1.752 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -14.801 24.963 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.418 24.303 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.487 27.423 -0.190 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.319 25.729 -0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.337 29.638 -0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -19.170 27.942 -1.606 1.00 0.00 H new ATOM 0 HZ PHE A 12 -17.679 29.901 -1.542 1.00 0.00 H new ATOM 129 N ARG A 13 -14.360 22.909 1.305 1.00 0.00 N ATOM 130 CA ARG A 13 -13.958 21.525 1.523 1.00 0.00 C ATOM 131 C ARG A 13 -13.723 21.254 3.007 1.00 0.00 C ATOM 132 O ARG A 13 -13.709 22.178 3.821 1.00 0.00 O ATOM 133 CB ARG A 13 -12.689 21.209 0.729 1.00 0.00 C ATOM 134 CG ARG A 13 -12.962 20.702 -0.678 1.00 0.00 C ATOM 135 CD ARG A 13 -13.235 19.206 -0.688 1.00 0.00 C ATOM 136 NE ARG A 13 -13.489 18.705 -2.036 1.00 0.00 N ATOM 137 CZ ARG A 13 -13.332 17.434 -2.390 1.00 0.00 C ATOM 138 NH1 ARG A 13 -12.924 16.541 -1.499 1.00 0.00 N ATOM 139 NH2 ARG A 13 -13.583 17.055 -3.636 1.00 0.00 N ATOM 0 H ARG A 13 -13.647 23.492 0.867 1.00 0.00 H new ATOM 0 HA ARG A 13 -14.765 20.880 1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.074 22.107 0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.109 20.461 1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.817 21.232 -1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.107 20.921 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.382 18.679 -0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.094 18.990 -0.053 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.804 19.367 -2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.730 16.829 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.804 15.566 -1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.897 17.740 -4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.462 16.079 -3.906 1.00 0.00 H new ATOM 153 N CYS A 14 -13.538 19.984 3.349 1.00 0.00 N ATOM 154 CA CYS A 14 -13.305 19.592 4.735 1.00 0.00 C ATOM 155 C CYS A 14 -12.146 18.606 4.833 1.00 0.00 C ATOM 156 O CYS A 14 -11.855 17.878 3.883 1.00 0.00 O ATOM 157 CB CYS A 14 -14.570 18.973 5.331 1.00 0.00 C ATOM 158 SG CYS A 14 -15.168 17.516 4.442 1.00 0.00 S ATOM 0 H CYS A 14 -13.545 19.208 2.687 1.00 0.00 H new ATOM 0 HA CYS A 14 -13.046 20.486 5.302 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.374 18.698 6.367 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -15.358 19.726 5.345 1.00 0.00 H new ATOM 0 HG CYS A 14 -16.239 17.063 5.022 1.00 0.00 H new ATOM 164 N ASP A 15 -11.487 18.589 5.986 1.00 0.00 N ATOM 165 CA ASP A 15 -10.358 17.692 6.208 1.00 0.00 C ATOM 166 C ASP A 15 -10.692 16.652 7.274 1.00 0.00 C ATOM 167 O ASP A 15 -9.866 16.340 8.131 1.00 0.00 O ATOM 168 CB ASP A 15 -9.121 18.489 6.625 1.00 0.00 C ATOM 169 CG ASP A 15 -8.308 18.961 5.436 1.00 0.00 C ATOM 170 OD1 ASP A 15 -7.532 18.150 4.888 1.00 0.00 O ATOM 171 OD2 ASP A 15 -8.449 20.140 5.052 1.00 0.00 O ATOM 0 H ASP A 15 -11.715 19.186 6.781 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.148 17.173 5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.430 19.352 7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.494 17.871 7.268 1.00 0.00 H new ATOM 176 N SER A 16 -11.909 16.121 7.214 1.00 0.00 N ATOM 177 CA SER A 16 -12.354 15.120 8.176 1.00 0.00 C ATOM 178 C SER A 16 -12.948 13.908 7.464 1.00 0.00 C ATOM 179 O SER A 16 -14.161 13.819 7.274 1.00 0.00 O ATOM 180 CB SER A 16 -13.387 15.723 9.130 1.00 0.00 C ATOM 181 OG SER A 16 -12.903 16.918 9.716 1.00 0.00 O ATOM 0 H SER A 16 -12.604 16.367 6.509 1.00 0.00 H new ATOM 0 HA SER A 16 -11.487 14.793 8.750 1.00 0.00 H new ATOM 0 HB2 SER A 16 -14.311 15.928 8.589 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.629 15.003 9.912 1.00 0.00 H new ATOM 0 HG SER A 16 -13.582 17.285 10.320 1.00 0.00 H new ATOM 187 N SER A 17 -12.084 12.977 7.074 1.00 0.00 N ATOM 188 CA SER A 17 -12.521 11.772 6.379 1.00 0.00 C ATOM 189 C SER A 17 -11.359 10.802 6.190 1.00 0.00 C ATOM 190 O SER A 17 -10.399 11.097 5.478 1.00 0.00 O ATOM 191 CB SER A 17 -13.126 12.131 5.021 1.00 0.00 C ATOM 192 OG SER A 17 -12.118 12.495 4.094 1.00 0.00 O ATOM 0 H SER A 17 -11.077 13.034 7.227 1.00 0.00 H new ATOM 0 HA SER A 17 -13.282 11.286 6.990 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.690 11.282 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.830 12.955 5.139 1.00 0.00 H new ATOM 0 HG SER A 17 -11.236 12.329 4.488 1.00 0.00 H new ATOM 198 N ARG A 18 -11.453 9.642 6.833 1.00 0.00 N ATOM 199 CA ARG A 18 -10.410 8.628 6.737 1.00 0.00 C ATOM 200 C ARG A 18 -10.977 7.312 6.214 1.00 0.00 C ATOM 201 O ARG A 18 -11.536 6.521 6.973 1.00 0.00 O ATOM 202 CB ARG A 18 -9.757 8.408 8.103 1.00 0.00 C ATOM 203 CG ARG A 18 -9.050 9.639 8.646 1.00 0.00 C ATOM 204 CD ARG A 18 -8.553 9.414 10.066 1.00 0.00 C ATOM 205 NE ARG A 18 -7.793 10.557 10.566 1.00 0.00 N ATOM 206 CZ ARG A 18 -6.500 10.744 10.323 1.00 0.00 C ATOM 207 NH1 ARG A 18 -5.827 9.868 9.589 1.00 0.00 N ATOM 208 NH2 ARG A 18 -5.879 11.808 10.814 1.00 0.00 N ATOM 0 H ARG A 18 -12.241 9.382 7.426 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.656 8.983 6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.521 8.094 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.039 7.592 8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.209 9.891 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.732 10.489 8.628 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.403 9.228 10.723 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.927 8.522 10.094 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.282 11.250 11.133 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.302 9.049 9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.835 10.014 9.404 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.394 12.484 11.379 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.886 11.951 10.627 1.00 0.00 H new ATOM 222 N TRP A 19 -10.829 7.086 4.914 1.00 0.00 N ATOM 223 CA TRP A 19 -11.327 5.866 4.289 1.00 0.00 C ATOM 224 C TRP A 19 -10.901 5.789 2.827 1.00 0.00 C ATOM 225 O TRP A 19 -10.684 6.814 2.179 1.00 0.00 O ATOM 226 CB TRP A 19 -12.852 5.801 4.392 1.00 0.00 C ATOM 227 CG TRP A 19 -13.542 6.955 3.730 1.00 0.00 C ATOM 228 CD1 TRP A 19 -13.280 8.283 3.917 1.00 0.00 C ATOM 229 CD2 TRP A 19 -14.608 6.884 2.777 1.00 0.00 C ATOM 230 NE1 TRP A 19 -14.120 9.041 3.138 1.00 0.00 N ATOM 231 CE2 TRP A 19 -14.943 8.207 2.428 1.00 0.00 C ATOM 232 CE3 TRP A 19 -15.310 5.832 2.184 1.00 0.00 C ATOM 233 CZ2 TRP A 19 -15.950 8.503 1.514 1.00 0.00 C ATOM 234 CZ3 TRP A 19 -16.310 6.128 1.276 1.00 0.00 C ATOM 235 CH2 TRP A 19 -16.622 7.454 0.948 1.00 0.00 C ATOM 0 H TRP A 19 -10.368 7.731 4.272 1.00 0.00 H new ATOM 0 HA TRP A 19 -10.897 5.016 4.818 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.200 4.872 3.941 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.137 5.771 5.444 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -12.524 8.678 4.579 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -14.129 10.060 3.095 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.076 4.807 2.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -16.192 9.524 1.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.860 5.323 0.812 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -17.408 7.652 0.235 1.00 0.00 H new ATOM 246 N CYS A 20 -10.782 4.570 2.312 1.00 0.00 N ATOM 247 CA CYS A 20 -10.381 4.360 0.927 1.00 0.00 C ATOM 248 C CYS A 20 -11.488 3.663 0.140 1.00 0.00 C ATOM 249 O CYS A 20 -11.878 2.539 0.460 1.00 0.00 O ATOM 250 CB CYS A 20 -9.097 3.531 0.865 1.00 0.00 C ATOM 251 SG CYS A 20 -7.679 4.293 1.718 1.00 0.00 S ATOM 0 H CYS A 20 -10.958 3.712 2.834 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.197 5.335 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.288 2.552 1.304 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.833 3.366 -0.180 1.00 0.00 H new ATOM 256 N HIS A 21 -11.989 4.337 -0.890 1.00 0.00 N ATOM 257 CA HIS A 21 -13.050 3.782 -1.723 1.00 0.00 C ATOM 258 C HIS A 21 -12.475 2.851 -2.787 1.00 0.00 C ATOM 259 O HIS A 21 -12.823 2.948 -3.964 1.00 0.00 O ATOM 260 CB HIS A 21 -13.845 4.906 -2.388 1.00 0.00 C ATOM 261 CG HIS A 21 -15.015 4.420 -3.188 1.00 0.00 C ATOM 262 ND1 HIS A 21 -14.984 4.283 -4.559 1.00 0.00 N ATOM 263 CD2 HIS A 21 -16.254 4.036 -2.800 1.00 0.00 C ATOM 264 CE1 HIS A 21 -16.154 3.837 -4.981 1.00 0.00 C ATOM 265 NE2 HIS A 21 -16.942 3.679 -3.933 1.00 0.00 N ATOM 0 H HIS A 21 -11.678 5.268 -1.168 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.717 3.205 -1.083 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -14.201 5.592 -1.619 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -13.181 5.474 -3.039 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -16.631 4.015 -1.788 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -16.421 3.636 -6.008 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -17.906 3.346 -3.961 1.00 0.00 H new ATOM 274 N ASP A 22 -11.594 1.951 -2.365 1.00 0.00 N ATOM 275 CA ASP A 22 -10.971 1.003 -3.281 1.00 0.00 C ATOM 276 C ASP A 22 -12.023 0.135 -3.963 1.00 0.00 C ATOM 277 O ASP A 22 -12.109 0.095 -5.190 1.00 0.00 O ATOM 278 CB ASP A 22 -9.971 0.120 -2.533 1.00 0.00 C ATOM 279 CG ASP A 22 -9.464 -1.028 -3.382 1.00 0.00 C ATOM 280 OD1 ASP A 22 -10.132 -2.083 -3.412 1.00 0.00 O ATOM 281 OD2 ASP A 22 -8.399 -0.873 -4.016 1.00 0.00 O ATOM 0 H ASP A 22 -11.295 1.858 -1.394 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.442 1.570 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.127 0.728 -2.208 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.443 -0.277 -1.634 1.00 0.00 H new ATOM 286 N ASN A 23 -12.822 -0.560 -3.159 1.00 0.00 N ATOM 287 CA ASN A 23 -13.868 -1.429 -3.685 1.00 0.00 C ATOM 288 C ASN A 23 -15.206 -1.139 -3.012 1.00 0.00 C ATOM 289 O ASN A 23 -15.959 -2.055 -2.684 1.00 0.00 O ATOM 290 CB ASN A 23 -13.490 -2.898 -3.483 1.00 0.00 C ATOM 291 CG ASN A 23 -14.273 -3.827 -4.390 1.00 0.00 C ATOM 292 OD1 ASN A 23 -14.597 -3.477 -5.525 1.00 0.00 O ATOM 293 ND2 ASN A 23 -14.582 -5.018 -3.891 1.00 0.00 N ATOM 0 H ASN A 23 -12.765 -0.538 -2.141 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.968 -1.230 -4.752 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.424 -3.025 -3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.666 -3.176 -2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.109 -5.686 -4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.292 -5.265 -2.945 1.00 0.00 H new ATOM 300 N GLY A 24 -15.495 0.143 -2.809 1.00 0.00 N ATOM 301 CA GLY A 24 -16.743 0.530 -2.176 1.00 0.00 C ATOM 302 C GLY A 24 -16.794 0.144 -0.712 1.00 0.00 C ATOM 303 O GLY A 24 -17.827 -0.310 -0.218 1.00 0.00 O ATOM 0 H GLY A 24 -14.888 0.920 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.875 1.608 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.574 0.060 -2.702 1.00 0.00 H new ATOM 307 N VAL A 25 -15.677 0.322 -0.014 1.00 0.00 N ATOM 308 CA VAL A 25 -15.598 -0.013 1.403 1.00 0.00 C ATOM 309 C VAL A 25 -14.630 0.912 2.133 1.00 0.00 C ATOM 310 O VAL A 25 -13.580 1.271 1.602 1.00 0.00 O ATOM 311 CB VAL A 25 -15.153 -1.472 1.611 1.00 0.00 C ATOM 312 CG1 VAL A 25 -15.048 -1.792 3.095 1.00 0.00 C ATOM 313 CG2 VAL A 25 -16.115 -2.426 0.919 1.00 0.00 C ATOM 0 H VAL A 25 -14.814 0.697 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.599 0.115 1.815 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.167 -1.600 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.732 -2.827 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -14.317 -1.130 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.019 -1.648 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.785 -3.453 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.115 -2.298 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -16.135 -2.211 -0.149 1.00 0.00 H new ATOM 323 N ASN A 26 -14.992 1.293 3.354 1.00 0.00 N ATOM 324 CA ASN A 26 -14.155 2.176 4.158 1.00 0.00 C ATOM 325 C ASN A 26 -13.138 1.375 4.966 1.00 0.00 C ATOM 326 O ASN A 26 -13.506 0.567 5.819 1.00 0.00 O ATOM 327 CB ASN A 26 -15.021 3.018 5.097 1.00 0.00 C ATOM 328 CG ASN A 26 -14.203 3.721 6.163 1.00 0.00 C ATOM 329 OD1 ASN A 26 -12.977 3.610 6.194 1.00 0.00 O ATOM 330 ND2 ASN A 26 -14.879 4.449 7.043 1.00 0.00 N ATOM 0 H ASN A 26 -15.859 1.004 3.808 1.00 0.00 H new ATOM 0 HA ASN A 26 -13.614 2.838 3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.568 3.760 4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -15.762 2.378 5.575 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -14.383 4.945 7.783 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.895 4.513 6.979 1.00 0.00 H new ATOM 337 N TYR A 27 -11.859 1.606 4.692 1.00 0.00 N ATOM 338 CA TYR A 27 -10.789 0.906 5.392 1.00 0.00 C ATOM 339 C TYR A 27 -10.016 1.859 6.299 1.00 0.00 C ATOM 340 O TYR A 27 -9.881 3.046 6.002 1.00 0.00 O ATOM 341 CB TYR A 27 -9.837 0.253 4.389 1.00 0.00 C ATOM 342 CG TYR A 27 -10.537 -0.601 3.356 1.00 0.00 C ATOM 343 CD1 TYR A 27 -10.881 -1.918 3.634 1.00 0.00 C ATOM 344 CD2 TYR A 27 -10.855 -0.091 2.104 1.00 0.00 C ATOM 345 CE1 TYR A 27 -11.520 -2.702 2.693 1.00 0.00 C ATOM 346 CE2 TYR A 27 -11.495 -0.867 1.157 1.00 0.00 C ATOM 347 CZ TYR A 27 -11.825 -2.173 1.457 1.00 0.00 C ATOM 348 OH TYR A 27 -12.463 -2.950 0.518 1.00 0.00 O ATOM 0 H TYR A 27 -11.538 2.273 3.990 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.241 0.131 6.011 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -9.269 1.032 3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.119 -0.363 4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -10.645 -2.336 4.602 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.597 0.931 1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.779 -3.725 2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.735 -0.454 0.188 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.821 -3.573 0.118 1.00 0.00 H new ATOM 358 N LYS A 28 -9.510 1.329 7.407 1.00 0.00 N ATOM 359 CA LYS A 28 -8.748 2.129 8.359 1.00 0.00 C ATOM 360 C LYS A 28 -7.329 2.369 7.855 1.00 0.00 C ATOM 361 O LYS A 28 -6.734 1.503 7.212 1.00 0.00 O ATOM 362 CB LYS A 28 -8.706 1.435 9.722 1.00 0.00 C ATOM 363 CG LYS A 28 -10.016 1.514 10.486 1.00 0.00 C ATOM 364 CD LYS A 28 -9.817 1.228 11.965 1.00 0.00 C ATOM 365 CE LYS A 28 -9.786 -0.266 12.245 1.00 0.00 C ATOM 366 NZ LYS A 28 -9.513 -0.556 13.680 1.00 0.00 N ATOM 0 H LYS A 28 -9.614 0.348 7.668 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.245 3.093 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.441 0.387 9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.916 1.884 10.324 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.452 2.505 10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.725 0.799 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.885 1.682 12.302 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.622 1.690 12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.740 -0.709 11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.020 -0.735 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.500 -1.585 13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.591 -0.156 13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.258 -0.130 14.268 1.00 0.00 H new ATOM 380 N ILE A 29 -6.792 3.548 8.150 1.00 0.00 N ATOM 381 CA ILE A 29 -5.441 3.900 7.729 1.00 0.00 C ATOM 382 C ILE A 29 -4.433 2.851 8.185 1.00 0.00 C ATOM 383 O ILE A 29 -4.152 2.721 9.376 1.00 0.00 O ATOM 384 CB ILE A 29 -5.020 5.275 8.279 1.00 0.00 C ATOM 385 CG1 ILE A 29 -5.986 6.359 7.798 1.00 0.00 C ATOM 386 CG2 ILE A 29 -3.596 5.601 7.855 1.00 0.00 C ATOM 387 CD1 ILE A 29 -5.817 6.715 6.338 1.00 0.00 C ATOM 0 H ILE A 29 -7.272 4.276 8.679 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.450 3.942 6.640 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.056 5.241 9.368 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.009 6.023 7.965 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.843 7.256 8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.313 6.576 8.251 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.918 4.841 8.243 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.536 5.620 6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.534 7.490 6.067 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.805 7.082 6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.990 5.830 5.725 1.00 0.00 H new ATOM 399 N GLY A 30 -3.889 2.105 7.228 1.00 0.00 N ATOM 400 CA GLY A 30 -2.915 1.079 7.551 1.00 0.00 C ATOM 401 C GLY A 30 -3.454 -0.321 7.330 1.00 0.00 C ATOM 402 O GLY A 30 -2.716 -1.220 6.927 1.00 0.00 O ATOM 0 H GLY A 30 -4.106 2.193 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.024 1.223 6.940 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.609 1.187 8.592 1.00 0.00 H new ATOM 406 N GLU A 31 -4.743 -0.506 7.595 1.00 0.00 N ATOM 407 CA GLU A 31 -5.378 -1.808 7.425 1.00 0.00 C ATOM 408 C GLU A 31 -5.152 -2.343 6.013 1.00 0.00 C ATOM 409 O GLU A 31 -4.629 -1.641 5.147 1.00 0.00 O ATOM 410 CB GLU A 31 -6.878 -1.710 7.711 1.00 0.00 C ATOM 411 CG GLU A 31 -7.229 -1.874 9.180 1.00 0.00 C ATOM 412 CD GLU A 31 -6.962 -3.277 9.690 1.00 0.00 C ATOM 413 OE1 GLU A 31 -7.730 -4.195 9.334 1.00 0.00 O ATOM 414 OE2 GLU A 31 -5.985 -3.456 10.447 1.00 0.00 O ATOM 0 H GLU A 31 -5.368 0.228 7.928 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.925 -2.500 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.243 -0.743 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.400 -2.473 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.652 -1.161 9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.281 -1.632 9.328 1.00 0.00 H new ATOM 421 N LYS A 32 -5.550 -3.590 5.789 1.00 0.00 N ATOM 422 CA LYS A 32 -5.393 -4.221 4.484 1.00 0.00 C ATOM 423 C LYS A 32 -6.549 -5.175 4.198 1.00 0.00 C ATOM 424 O LYS A 32 -7.138 -5.744 5.117 1.00 0.00 O ATOM 425 CB LYS A 32 -4.065 -4.978 4.417 1.00 0.00 C ATOM 426 CG LYS A 32 -2.849 -4.069 4.374 1.00 0.00 C ATOM 427 CD LYS A 32 -1.580 -4.817 4.747 1.00 0.00 C ATOM 428 CE LYS A 32 -1.406 -4.902 6.255 1.00 0.00 C ATOM 429 NZ LYS A 32 -2.134 -6.066 6.833 1.00 0.00 N ATOM 0 H LYS A 32 -5.984 -4.185 6.495 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.396 -3.437 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.987 -5.635 5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.064 -5.615 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.744 -3.648 3.374 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.994 -3.233 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.612 -5.822 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.718 -4.315 4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.346 -4.982 6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.768 -3.982 6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.575 -6.475 7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.055 -5.752 7.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.281 -6.784 6.096 1.00 0.00 H new ATOM 443 N TRP A 33 -6.866 -5.346 2.920 1.00 0.00 N ATOM 444 CA TRP A 33 -7.951 -6.233 2.514 1.00 0.00 C ATOM 445 C TRP A 33 -7.566 -7.031 1.273 1.00 0.00 C ATOM 446 O TRP A 33 -6.491 -6.834 0.706 1.00 0.00 O ATOM 447 CB TRP A 33 -9.222 -5.427 2.243 1.00 0.00 C ATOM 448 CG TRP A 33 -9.054 -4.397 1.166 1.00 0.00 C ATOM 449 CD1 TRP A 33 -9.512 -4.472 -0.118 1.00 0.00 C ATOM 450 CD2 TRP A 33 -8.379 -3.140 1.281 1.00 0.00 C ATOM 451 NE1 TRP A 33 -9.162 -3.337 -0.809 1.00 0.00 N ATOM 452 CE2 TRP A 33 -8.467 -2.504 0.027 1.00 0.00 C ATOM 453 CE3 TRP A 33 -7.710 -2.488 2.321 1.00 0.00 C ATOM 454 CZ2 TRP A 33 -7.911 -1.250 -0.212 1.00 0.00 C ATOM 455 CZ3 TRP A 33 -7.159 -1.244 2.082 1.00 0.00 C ATOM 456 CH2 TRP A 33 -7.262 -0.635 0.824 1.00 0.00 C ATOM 0 H TRP A 33 -6.388 -4.883 2.147 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.140 -6.932 3.329 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -10.023 -6.110 1.961 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -9.533 -4.933 3.163 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -10.068 -5.301 -0.530 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -9.384 -3.146 -1.786 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.625 -2.949 3.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -7.989 -0.779 -1.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -6.640 -0.732 2.879 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -6.821 0.338 0.669 1.00 0.00 H new ATOM 467 N ASP A 34 -8.449 -7.932 0.858 1.00 0.00 N ATOM 468 CA ASP A 34 -8.201 -8.760 -0.317 1.00 0.00 C ATOM 469 C ASP A 34 -9.118 -8.358 -1.468 1.00 0.00 C ATOM 470 O ASP A 34 -10.206 -7.824 -1.250 1.00 0.00 O ATOM 471 CB ASP A 34 -8.403 -10.237 0.021 1.00 0.00 C ATOM 472 CG ASP A 34 -9.753 -10.506 0.658 1.00 0.00 C ATOM 473 OD1 ASP A 34 -10.716 -9.779 0.335 1.00 0.00 O ATOM 474 OD2 ASP A 34 -9.846 -11.443 1.477 1.00 0.00 O ATOM 0 H ASP A 34 -9.343 -8.108 1.317 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.168 -8.605 -0.628 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.309 -10.831 -0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.614 -10.563 0.698 1.00 0.00 H new ATOM 479 N ARG A 35 -8.672 -8.618 -2.693 1.00 0.00 N ATOM 480 CA ARG A 35 -9.452 -8.282 -3.877 1.00 0.00 C ATOM 481 C ARG A 35 -9.113 -9.216 -5.035 1.00 0.00 C ATOM 482 O ARG A 35 -8.279 -10.111 -4.898 1.00 0.00 O ATOM 483 CB ARG A 35 -9.196 -6.830 -4.288 1.00 0.00 C ATOM 484 CG ARG A 35 -7.729 -6.517 -4.535 1.00 0.00 C ATOM 485 CD ARG A 35 -7.561 -5.420 -5.574 1.00 0.00 C ATOM 486 NE ARG A 35 -8.147 -5.790 -6.860 1.00 0.00 N ATOM 487 CZ ARG A 35 -7.952 -5.104 -7.981 1.00 0.00 C ATOM 488 NH1 ARG A 35 -7.190 -4.019 -7.974 1.00 0.00 N ATOM 489 NH2 ARG A 35 -8.519 -5.504 -9.112 1.00 0.00 N ATOM 0 H ARG A 35 -7.774 -9.060 -2.891 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.507 -8.403 -3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.763 -6.612 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.574 -6.168 -3.508 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.259 -6.210 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.215 -7.418 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.028 -4.504 -5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.501 -5.206 -5.707 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.738 -6.620 -6.899 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.752 -3.709 -7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.042 -3.494 -8.836 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.105 -6.339 -9.121 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.369 -4.977 -9.972 1.00 0.00 H new ATOM 503 N GLN A 36 -9.765 -9.002 -6.173 1.00 0.00 N ATOM 504 CA GLN A 36 -9.533 -9.826 -7.353 1.00 0.00 C ATOM 505 C GLN A 36 -8.252 -9.406 -8.067 1.00 0.00 C ATOM 506 O GLN A 36 -7.825 -8.256 -7.973 1.00 0.00 O ATOM 507 CB GLN A 36 -10.721 -9.727 -8.312 1.00 0.00 C ATOM 508 CG GLN A 36 -10.828 -10.900 -9.272 1.00 0.00 C ATOM 509 CD GLN A 36 -11.817 -10.650 -10.392 1.00 0.00 C ATOM 510 OE1 GLN A 36 -12.932 -11.174 -10.380 1.00 0.00 O ATOM 511 NE2 GLN A 36 -11.415 -9.845 -11.369 1.00 0.00 N ATOM 0 H GLN A 36 -10.458 -8.265 -6.303 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.423 -10.860 -7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.641 -9.659 -7.731 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.637 -8.805 -8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.846 -11.106 -9.699 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.128 -11.790 -8.719 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.483 -9.432 -11.339 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.039 -9.639 -12.150 1.00 0.00 H new ATOM 520 N GLY A 37 -7.642 -10.348 -8.780 1.00 0.00 N ATOM 521 CA GLY A 37 -6.415 -10.057 -9.499 1.00 0.00 C ATOM 522 C GLY A 37 -6.307 -10.830 -10.798 1.00 0.00 C ATOM 523 O GLY A 37 -7.219 -11.570 -11.165 1.00 0.00 O ATOM 0 H GLY A 37 -7.976 -11.307 -8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.366 -8.989 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.561 -10.296 -8.865 1.00 0.00 H new ATOM 527 N GLU A 38 -5.190 -10.656 -11.497 1.00 0.00 N ATOM 528 CA GLU A 38 -4.968 -11.342 -12.764 1.00 0.00 C ATOM 529 C GLU A 38 -4.792 -12.842 -12.548 1.00 0.00 C ATOM 530 O GLU A 38 -4.138 -13.271 -11.598 1.00 0.00 O ATOM 531 CB GLU A 38 -3.737 -10.770 -13.470 1.00 0.00 C ATOM 532 CG GLU A 38 -3.723 -11.022 -14.969 1.00 0.00 C ATOM 533 CD GLU A 38 -2.393 -10.671 -15.607 1.00 0.00 C ATOM 534 OE1 GLU A 38 -1.344 -10.966 -14.996 1.00 0.00 O ATOM 535 OE2 GLU A 38 -2.401 -10.100 -16.718 1.00 0.00 O ATOM 0 H GLU A 38 -4.425 -10.046 -11.207 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.845 -11.183 -13.392 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.692 -9.696 -13.290 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.840 -11.205 -13.029 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.947 -12.072 -15.159 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.513 -10.437 -15.439 1.00 0.00 H new ATOM 542 N ASN A 39 -5.383 -13.635 -13.436 1.00 0.00 N ATOM 543 CA ASN A 39 -5.293 -15.088 -13.342 1.00 0.00 C ATOM 544 C ASN A 39 -5.935 -15.590 -12.052 1.00 0.00 C ATOM 545 O ASN A 39 -5.403 -16.477 -11.386 1.00 0.00 O ATOM 546 CB ASN A 39 -3.831 -15.535 -13.405 1.00 0.00 C ATOM 547 CG ASN A 39 -3.368 -15.798 -14.825 1.00 0.00 C ATOM 548 OD1 ASN A 39 -2.882 -16.884 -15.140 1.00 0.00 O ATOM 549 ND2 ASN A 39 -3.516 -14.801 -15.689 1.00 0.00 N ATOM 0 H ASN A 39 -5.929 -13.296 -14.228 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.833 -15.516 -14.187 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.200 -14.768 -12.956 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.705 -16.440 -12.811 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.222 -14.918 -16.659 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.924 -13.918 -15.383 1.00 0.00 H new ATOM 556 N GLY A 40 -7.084 -15.017 -11.707 1.00 0.00 N ATOM 557 CA GLY A 40 -7.781 -15.420 -10.499 1.00 0.00 C ATOM 558 C GLY A 40 -6.874 -15.435 -9.285 1.00 0.00 C ATOM 559 O GLY A 40 -7.002 -16.299 -8.418 1.00 0.00 O ATOM 0 H GLY A 40 -7.545 -14.281 -12.242 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.613 -14.739 -10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.207 -16.413 -10.643 1.00 0.00 H new ATOM 563 N GLN A 41 -5.953 -14.478 -9.224 1.00 0.00 N ATOM 564 CA GLN A 41 -5.020 -14.387 -8.107 1.00 0.00 C ATOM 565 C GLN A 41 -5.377 -13.221 -7.193 1.00 0.00 C ATOM 566 O GLN A 41 -5.240 -12.058 -7.571 1.00 0.00 O ATOM 567 CB GLN A 41 -3.589 -14.226 -8.624 1.00 0.00 C ATOM 568 CG GLN A 41 -3.117 -15.389 -9.482 1.00 0.00 C ATOM 569 CD GLN A 41 -1.612 -15.567 -9.448 1.00 0.00 C ATOM 570 OE1 GLN A 41 -0.966 -15.296 -8.435 1.00 0.00 O ATOM 571 NE2 GLN A 41 -1.044 -16.024 -10.557 1.00 0.00 N ATOM 0 H GLN A 41 -5.833 -13.756 -9.934 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.090 -15.310 -7.531 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.523 -13.306 -9.205 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.915 -14.115 -7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -3.595 -16.306 -9.139 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.437 -15.229 -10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.617 -16.236 -11.374 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.034 -16.163 -10.593 1.00 0.00 H new ATOM 580 N MET A 42 -5.837 -13.540 -5.987 1.00 0.00 N ATOM 581 CA MET A 42 -6.213 -12.517 -5.018 1.00 0.00 C ATOM 582 C MET A 42 -5.057 -11.555 -4.766 1.00 0.00 C ATOM 583 O MET A 42 -3.896 -11.963 -4.719 1.00 0.00 O ATOM 584 CB MET A 42 -6.647 -13.166 -3.702 1.00 0.00 C ATOM 585 CG MET A 42 -5.538 -13.945 -3.014 1.00 0.00 C ATOM 586 SD MET A 42 -5.889 -14.260 -1.273 1.00 0.00 S ATOM 587 CE MET A 42 -5.464 -12.678 -0.550 1.00 0.00 C ATOM 0 H MET A 42 -5.958 -14.498 -5.658 1.00 0.00 H new ATOM 0 HA MET A 42 -7.049 -11.952 -5.430 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.009 -12.391 -3.026 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.484 -13.836 -3.896 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.393 -14.895 -3.529 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.603 -13.390 -3.098 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.509 -12.751 0.537 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.455 -12.398 -0.854 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.169 -11.920 -0.892 1.00 0.00 H new ATOM 597 N MET A 43 -5.381 -10.276 -4.605 1.00 0.00 N ATOM 598 CA MET A 43 -4.368 -9.257 -4.356 1.00 0.00 C ATOM 599 C MET A 43 -4.594 -8.584 -3.006 1.00 0.00 C ATOM 600 O MET A 43 -5.716 -8.544 -2.502 1.00 0.00 O ATOM 601 CB MET A 43 -4.385 -8.209 -5.471 1.00 0.00 C ATOM 602 CG MET A 43 -4.335 -8.807 -6.868 1.00 0.00 C ATOM 603 SD MET A 43 -4.229 -7.551 -8.157 1.00 0.00 S ATOM 604 CE MET A 43 -2.791 -6.630 -7.615 1.00 0.00 C ATOM 0 H MET A 43 -6.336 -9.921 -4.643 1.00 0.00 H new ATOM 0 HA MET A 43 -3.393 -9.745 -4.340 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.286 -7.604 -5.376 1.00 0.00 H new ATOM 0 HB3 MET A 43 -3.536 -7.538 -5.341 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.475 -9.473 -6.943 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.225 -9.415 -7.031 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.383 -6.065 -8.453 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.078 -5.942 -6.820 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.036 -7.321 -7.242 1.00 0.00 H new ATOM 614 N SER A 44 -3.520 -8.056 -2.427 1.00 0.00 N ATOM 615 CA SER A 44 -3.601 -7.388 -1.133 1.00 0.00 C ATOM 616 C SER A 44 -3.320 -5.895 -1.274 1.00 0.00 C ATOM 617 O SER A 44 -2.302 -5.493 -1.839 1.00 0.00 O ATOM 618 CB SER A 44 -2.611 -8.014 -0.149 1.00 0.00 C ATOM 619 OG SER A 44 -2.816 -7.522 1.164 1.00 0.00 O ATOM 0 H SER A 44 -2.585 -8.078 -2.833 1.00 0.00 H new ATOM 0 HA SER A 44 -4.613 -7.515 -0.749 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.723 -9.098 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.591 -7.797 -0.467 1.00 0.00 H new ATOM 0 HG SER A 44 -2.172 -7.939 1.774 1.00 0.00 H new ATOM 625 N CYS A 45 -4.230 -5.076 -0.756 1.00 0.00 N ATOM 626 CA CYS A 45 -4.082 -3.627 -0.824 1.00 0.00 C ATOM 627 C CYS A 45 -3.930 -3.031 0.573 1.00 0.00 C ATOM 628 O CYS A 45 -4.383 -3.610 1.561 1.00 0.00 O ATOM 629 CB CYS A 45 -5.288 -3.003 -1.528 1.00 0.00 C ATOM 630 SG CYS A 45 -4.909 -1.465 -2.428 1.00 0.00 S ATOM 0 H CYS A 45 -5.078 -5.391 -0.285 1.00 0.00 H new ATOM 0 HA CYS A 45 -3.181 -3.404 -1.396 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.702 -3.729 -2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.061 -2.797 -0.788 1.00 0.00 H new ATOM 635 N THR A 46 -3.290 -1.868 0.647 1.00 0.00 N ATOM 636 CA THR A 46 -3.078 -1.193 1.921 1.00 0.00 C ATOM 637 C THR A 46 -3.568 0.250 1.867 1.00 0.00 C ATOM 638 O THR A 46 -3.304 0.970 0.904 1.00 0.00 O ATOM 639 CB THR A 46 -1.590 -1.203 2.321 1.00 0.00 C ATOM 640 OG1 THR A 46 -1.095 -2.546 2.332 1.00 0.00 O ATOM 641 CG2 THR A 46 -1.394 -0.573 3.691 1.00 0.00 C ATOM 0 H THR A 46 -2.910 -1.374 -0.160 1.00 0.00 H new ATOM 0 HA THR A 46 -3.652 -1.741 2.668 1.00 0.00 H new ATOM 0 HB THR A 46 -1.035 -0.618 1.587 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.148 -2.544 2.585 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.336 -0.591 3.952 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.745 0.459 3.671 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.961 -1.134 4.434 1.00 0.00 H new ATOM 649 N CYS A 47 -4.282 0.666 2.907 1.00 0.00 N ATOM 650 CA CYS A 47 -4.810 2.023 2.980 1.00 0.00 C ATOM 651 C CYS A 47 -3.751 2.991 3.501 1.00 0.00 C ATOM 652 O CYS A 47 -3.698 3.286 4.695 1.00 0.00 O ATOM 653 CB CYS A 47 -6.044 2.066 3.882 1.00 0.00 C ATOM 654 SG CYS A 47 -7.250 3.355 3.433 1.00 0.00 S ATOM 0 H CYS A 47 -4.509 0.082 3.712 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.094 2.330 1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.538 1.095 3.850 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.723 2.227 4.911 1.00 0.00 H new ATOM 659 N LEU A 48 -2.911 3.483 2.597 1.00 0.00 N ATOM 660 CA LEU A 48 -1.854 4.418 2.964 1.00 0.00 C ATOM 661 C LEU A 48 -2.439 5.700 3.548 1.00 0.00 C ATOM 662 O LEU A 48 -2.025 6.154 4.614 1.00 0.00 O ATOM 663 CB LEU A 48 -0.991 4.747 1.745 1.00 0.00 C ATOM 664 CG LEU A 48 -0.295 3.562 1.075 1.00 0.00 C ATOM 665 CD1 LEU A 48 0.342 3.989 -0.238 1.00 0.00 C ATOM 666 CD2 LEU A 48 0.749 2.961 2.005 1.00 0.00 C ATOM 0 H LEU A 48 -2.942 3.250 1.604 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.233 3.945 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.619 5.241 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.230 5.466 2.047 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.044 2.800 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.832 3.132 -0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.428 4.372 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.079 4.770 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.234 2.119 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.495 3.716 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.266 2.617 2.920 1.00 0.00 H new ATOM 678 N GLY A 49 -3.406 6.278 2.842 1.00 0.00 N ATOM 679 CA GLY A 49 -4.035 7.501 3.307 1.00 0.00 C ATOM 680 C GLY A 49 -3.096 8.690 3.260 1.00 0.00 C ATOM 681 O GLY A 49 -3.015 9.464 4.212 1.00 0.00 O ATOM 0 H GLY A 49 -3.765 5.921 1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.912 7.710 2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.386 7.359 4.329 1.00 0.00 H new ATOM 685 N ASN A 50 -2.382 8.834 2.148 1.00 0.00 N ATOM 686 CA ASN A 50 -1.441 9.936 1.981 1.00 0.00 C ATOM 687 C ASN A 50 -2.173 11.227 1.627 1.00 0.00 C ATOM 688 O ASN A 50 -1.908 12.281 2.204 1.00 0.00 O ATOM 689 CB ASN A 50 -0.420 9.601 0.892 1.00 0.00 C ATOM 690 CG ASN A 50 0.243 8.255 1.114 1.00 0.00 C ATOM 691 OD1 ASN A 50 0.097 7.647 2.175 1.00 0.00 O ATOM 692 ND2 ASN A 50 0.976 7.784 0.113 1.00 0.00 N ATOM 0 H ASN A 50 -2.437 8.202 1.350 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.919 10.082 2.927 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.915 9.603 -0.079 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.344 10.378 0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.446 6.884 0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.069 8.322 -0.748 1.00 0.00 H new ATOM 699 N GLY A 51 -3.097 11.136 0.675 1.00 0.00 N ATOM 700 CA GLY A 51 -3.854 12.303 0.261 1.00 0.00 C ATOM 701 C GLY A 51 -5.334 12.168 0.556 1.00 0.00 C ATOM 702 O GLY A 51 -5.741 12.105 1.717 1.00 0.00 O ATOM 0 H GLY A 51 -3.335 10.275 0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.464 13.185 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.713 12.464 -0.808 1.00 0.00 H new ATOM 706 N LYS A 52 -6.144 12.126 -0.496 1.00 0.00 N ATOM 707 CA LYS A 52 -7.589 11.999 -0.346 1.00 0.00 C ATOM 708 C LYS A 52 -7.998 10.534 -0.236 1.00 0.00 C ATOM 709 O LYS A 52 -9.009 10.118 -0.799 1.00 0.00 O ATOM 710 CB LYS A 52 -8.305 12.652 -1.530 1.00 0.00 C ATOM 711 CG LYS A 52 -8.157 11.882 -2.831 1.00 0.00 C ATOM 712 CD LYS A 52 -8.212 12.806 -4.036 1.00 0.00 C ATOM 713 CE LYS A 52 -9.630 13.284 -4.307 1.00 0.00 C ATOM 714 NZ LYS A 52 -10.452 12.233 -4.968 1.00 0.00 N ATOM 0 H LYS A 52 -5.824 12.178 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.880 12.509 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.365 12.750 -1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.915 13.660 -1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.211 11.341 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.949 11.137 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.563 13.665 -3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.829 12.285 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.101 13.576 -3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.600 14.172 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.396 12.614 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.990 11.936 -5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.545 11.414 -4.333 1.00 0.00 H new ATOM 728 N GLY A 53 -7.204 9.755 0.493 1.00 0.00 N ATOM 729 CA GLY A 53 -7.501 8.345 0.664 1.00 0.00 C ATOM 730 C GLY A 53 -6.719 7.468 -0.294 1.00 0.00 C ATOM 731 O GLY A 53 -7.260 6.516 -0.855 1.00 0.00 O ATOM 0 H GLY A 53 -6.360 10.076 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.274 8.051 1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.568 8.181 0.514 1.00 0.00 H new ATOM 735 N GLU A 54 -5.443 7.790 -0.481 1.00 0.00 N ATOM 736 CA GLU A 54 -4.587 7.025 -1.380 1.00 0.00 C ATOM 737 C GLU A 54 -4.510 5.564 -0.946 1.00 0.00 C ATOM 738 O GLU A 54 -4.817 5.228 0.198 1.00 0.00 O ATOM 739 CB GLU A 54 -3.182 7.630 -1.421 1.00 0.00 C ATOM 740 CG GLU A 54 -2.307 7.063 -2.526 1.00 0.00 C ATOM 741 CD GLU A 54 -2.841 7.374 -3.911 1.00 0.00 C ATOM 742 OE1 GLU A 54 -2.902 8.568 -4.270 1.00 0.00 O ATOM 743 OE2 GLU A 54 -3.198 6.421 -4.636 1.00 0.00 O ATOM 0 H GLU A 54 -4.980 8.575 -0.022 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.023 7.068 -2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -3.264 8.709 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.695 7.461 -0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.299 7.467 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.230 5.983 -2.405 1.00 0.00 H new ATOM 750 N PHE A 55 -4.099 4.699 -1.868 1.00 0.00 N ATOM 751 CA PHE A 55 -3.983 3.274 -1.582 1.00 0.00 C ATOM 752 C PHE A 55 -3.281 2.546 -2.724 1.00 0.00 C ATOM 753 O PHE A 55 -3.406 2.925 -3.888 1.00 0.00 O ATOM 754 CB PHE A 55 -5.367 2.665 -1.348 1.00 0.00 C ATOM 755 CG PHE A 55 -6.286 2.794 -2.529 1.00 0.00 C ATOM 756 CD1 PHE A 55 -6.861 4.014 -2.846 1.00 0.00 C ATOM 757 CD2 PHE A 55 -6.575 1.695 -3.321 1.00 0.00 C ATOM 758 CE1 PHE A 55 -7.707 4.136 -3.932 1.00 0.00 C ATOM 759 CE2 PHE A 55 -7.420 1.811 -4.409 1.00 0.00 C ATOM 760 CZ PHE A 55 -7.987 3.032 -4.714 1.00 0.00 C ATOM 0 H PHE A 55 -3.841 4.960 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.385 3.157 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.254 1.610 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.827 3.148 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.646 4.880 -2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.135 0.737 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.148 5.093 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.636 0.947 -5.020 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.649 3.124 -5.563 1.00 0.00 H new ATOM 770 N LYS A 56 -2.540 1.497 -2.382 1.00 0.00 N ATOM 771 CA LYS A 56 -1.818 0.713 -3.376 1.00 0.00 C ATOM 772 C LYS A 56 -2.098 -0.777 -3.204 1.00 0.00 C ATOM 773 O LYS A 56 -2.136 -1.286 -2.083 1.00 0.00 O ATOM 774 CB LYS A 56 -0.314 0.975 -3.268 1.00 0.00 C ATOM 775 CG LYS A 56 0.308 0.432 -1.993 1.00 0.00 C ATOM 776 CD LYS A 56 1.745 0.897 -1.831 1.00 0.00 C ATOM 777 CE LYS A 56 2.359 0.374 -0.542 1.00 0.00 C ATOM 778 NZ LYS A 56 3.755 0.858 -0.355 1.00 0.00 N ATOM 0 H LYS A 56 -2.424 1.170 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.165 1.018 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.187 0.527 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.136 2.049 -3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.279 0.756 -1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.277 -0.657 -2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.336 0.557 -2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.778 1.986 -1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.749 0.689 0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.351 -0.716 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.137 0.479 0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.343 0.536 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.760 1.897 -0.319 1.00 0.00 H new ATOM 792 N CYS A 57 -2.293 -1.470 -4.320 1.00 0.00 N ATOM 793 CA CYS A 57 -2.569 -2.902 -4.294 1.00 0.00 C ATOM 794 C CYS A 57 -1.535 -3.670 -5.111 1.00 0.00 C ATOM 795 O CYS A 57 -1.420 -3.481 -6.322 1.00 0.00 O ATOM 796 CB CYS A 57 -3.973 -3.182 -4.834 1.00 0.00 C ATOM 797 SG CYS A 57 -5.218 -1.946 -4.344 1.00 0.00 S ATOM 0 H CYS A 57 -2.265 -1.063 -5.255 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.511 -3.239 -3.259 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.930 -3.227 -5.922 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.295 -4.164 -4.487 1.00 0.00 H new ATOM 802 N ASP A 58 -0.785 -4.538 -4.440 1.00 0.00 N ATOM 803 CA ASP A 58 0.239 -5.337 -5.103 1.00 0.00 C ATOM 804 C ASP A 58 -0.004 -6.826 -4.878 1.00 0.00 C ATOM 805 O ASP A 58 -0.609 -7.239 -3.889 1.00 0.00 O ATOM 806 CB ASP A 58 1.628 -4.951 -4.592 1.00 0.00 C ATOM 807 CG ASP A 58 1.987 -3.515 -4.921 1.00 0.00 C ATOM 808 OD1 ASP A 58 2.550 -3.279 -6.011 1.00 0.00 O ATOM 809 OD2 ASP A 58 1.704 -2.628 -4.090 1.00 0.00 O ATOM 0 H ASP A 58 -0.867 -4.706 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 58 0.186 -5.136 -6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.668 -5.094 -3.512 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.371 -5.618 -5.029 1.00 0.00 H new ATOM 814 N PRO A 59 0.479 -7.653 -5.817 1.00 0.00 N ATOM 815 CA PRO A 59 0.327 -9.109 -5.744 1.00 0.00 C ATOM 816 C PRO A 59 1.167 -9.725 -4.631 1.00 0.00 C ATOM 817 O PRO A 59 2.397 -9.707 -4.685 1.00 0.00 O ATOM 818 CB PRO A 59 0.819 -9.587 -7.112 1.00 0.00 C ATOM 819 CG PRO A 59 1.754 -8.521 -7.572 1.00 0.00 C ATOM 820 CD PRO A 59 1.211 -7.230 -7.023 1.00 0.00 C ATOM 0 HA PRO A 59 -0.699 -9.400 -5.519 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.323 -10.550 -7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.010 -9.714 -7.808 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.765 -8.705 -7.209 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.807 -8.491 -8.660 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.010 -6.528 -6.783 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.555 -6.734 -7.738 1.00 0.00 H new ATOM 828 N HIS A 60 0.496 -10.270 -3.621 1.00 0.00 N ATOM 829 CA HIS A 60 1.182 -10.893 -2.494 1.00 0.00 C ATOM 830 C HIS A 60 0.809 -12.368 -2.379 1.00 0.00 C ATOM 831 O HIS A 60 -0.342 -12.744 -2.595 1.00 0.00 O ATOM 832 CB HIS A 60 0.838 -10.164 -1.195 1.00 0.00 C ATOM 833 CG HIS A 60 1.683 -8.953 -0.945 1.00 0.00 C ATOM 834 ND1 HIS A 60 2.667 -8.908 0.020 1.00 0.00 N ATOM 835 CD2 HIS A 60 1.688 -7.739 -1.543 1.00 0.00 C ATOM 836 CE1 HIS A 60 3.240 -7.717 0.006 1.00 0.00 C ATOM 837 NE2 HIS A 60 2.664 -6.989 -0.934 1.00 0.00 N ATOM 0 H HIS A 60 -0.522 -10.293 -3.560 1.00 0.00 H new ATOM 0 HA HIS A 60 2.256 -10.821 -2.668 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -0.210 -9.866 -1.222 1.00 0.00 H new ATOM 0 HB3 HIS A 60 0.952 -10.855 -0.359 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.044 -7.419 -2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 60 4.042 -7.394 0.653 1.00 0.00 H new ATOM 0 HE2 HIS A 60 2.905 -6.026 -1.169 1.00 0.00 H new ATOM 846 N GLU A 61 1.791 -13.196 -2.037 1.00 0.00 N ATOM 847 CA GLU A 61 1.565 -14.630 -1.895 1.00 0.00 C ATOM 848 C GLU A 61 2.669 -15.275 -1.062 1.00 0.00 C ATOM 849 O GLU A 61 3.843 -14.934 -1.199 1.00 0.00 O ATOM 850 CB GLU A 61 1.493 -15.296 -3.271 1.00 0.00 C ATOM 851 CG GLU A 61 2.839 -15.403 -3.966 1.00 0.00 C ATOM 852 CD GLU A 61 3.291 -14.088 -4.570 1.00 0.00 C ATOM 853 OE1 GLU A 61 2.453 -13.401 -5.191 1.00 0.00 O ATOM 854 OE2 GLU A 61 4.482 -13.745 -4.421 1.00 0.00 O ATOM 0 H GLU A 61 2.749 -12.899 -1.853 1.00 0.00 H new ATOM 0 HA GLU A 61 0.615 -14.773 -1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.070 -16.295 -3.160 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.810 -14.729 -3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.587 -15.746 -3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.779 -16.157 -4.751 1.00 0.00 H new ATOM 861 N ALA A 62 2.282 -16.209 -0.200 1.00 0.00 N ATOM 862 CA ALA A 62 3.238 -16.903 0.654 1.00 0.00 C ATOM 863 C ALA A 62 3.100 -18.415 0.516 1.00 0.00 C ATOM 864 O ALA A 62 2.207 -19.025 1.105 1.00 0.00 O ATOM 865 CB ALA A 62 3.050 -16.484 2.105 1.00 0.00 C ATOM 0 H ALA A 62 1.313 -16.503 -0.074 1.00 0.00 H new ATOM 0 HA ALA A 62 4.242 -16.625 0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.770 -17.010 2.732 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.206 -15.409 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.039 -16.733 2.427 1.00 0.00 H new ATOM 871 N THR A 63 3.990 -19.017 -0.267 1.00 0.00 N ATOM 872 CA THR A 63 3.967 -20.458 -0.485 1.00 0.00 C ATOM 873 C THR A 63 5.367 -21.051 -0.384 1.00 0.00 C ATOM 874 O THR A 63 6.290 -20.610 -1.070 1.00 0.00 O ATOM 875 CB THR A 63 3.371 -20.808 -1.861 1.00 0.00 C ATOM 876 OG1 THR A 63 4.025 -20.051 -2.886 1.00 0.00 O ATOM 877 CG2 THR A 63 1.876 -20.527 -1.891 1.00 0.00 C ATOM 0 H THR A 63 4.736 -18.528 -0.761 1.00 0.00 H new ATOM 0 HA THR A 63 3.337 -20.886 0.295 1.00 0.00 H new ATOM 0 HB THR A 63 3.528 -21.872 -2.040 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.979 -19.974 -2.677 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.477 -20.782 -2.873 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.378 -21.127 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.700 -19.470 -1.692 1.00 0.00 H new ATOM 885 N CYS A 64 5.519 -22.054 0.475 1.00 0.00 N ATOM 886 CA CYS A 64 6.809 -22.709 0.665 1.00 0.00 C ATOM 887 C CYS A 64 6.766 -24.149 0.166 1.00 0.00 C ATOM 888 O CYS A 64 5.832 -24.893 0.465 1.00 0.00 O ATOM 889 CB CYS A 64 7.205 -22.679 2.142 1.00 0.00 C ATOM 890 SG CYS A 64 8.922 -23.152 2.454 1.00 0.00 S ATOM 0 H CYS A 64 4.766 -22.431 1.050 1.00 0.00 H new ATOM 0 HA CYS A 64 7.555 -22.166 0.085 1.00 0.00 H new ATOM 0 HB2 CYS A 64 7.039 -21.675 2.531 1.00 0.00 H new ATOM 0 HB3 CYS A 64 6.548 -23.349 2.697 1.00 0.00 H new ATOM 0 HG CYS A 64 9.163 -23.094 3.730 1.00 0.00 H new ATOM 896 N TYR A 65 7.782 -24.535 -0.598 1.00 0.00 N ATOM 897 CA TYR A 65 7.858 -25.885 -1.143 1.00 0.00 C ATOM 898 C TYR A 65 8.884 -26.722 -0.384 1.00 0.00 C ATOM 899 O TYR A 65 10.072 -26.709 -0.706 1.00 0.00 O ATOM 900 CB TYR A 65 8.220 -25.839 -2.628 1.00 0.00 C ATOM 901 CG TYR A 65 7.876 -27.107 -3.376 1.00 0.00 C ATOM 902 CD1 TYR A 65 6.597 -27.316 -3.877 1.00 0.00 C ATOM 903 CD2 TYR A 65 8.830 -28.096 -3.582 1.00 0.00 C ATOM 904 CE1 TYR A 65 6.278 -28.474 -4.559 1.00 0.00 C ATOM 905 CE2 TYR A 65 8.521 -29.256 -4.265 1.00 0.00 C ATOM 906 CZ TYR A 65 7.243 -29.441 -4.751 1.00 0.00 C ATOM 907 OH TYR A 65 6.930 -30.595 -5.432 1.00 0.00 O ATOM 0 H TYR A 65 8.564 -23.932 -0.854 1.00 0.00 H new ATOM 0 HA TYR A 65 6.879 -26.351 -1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.702 -25.001 -3.094 1.00 0.00 H new ATOM 0 HB3 TYR A 65 9.289 -25.648 -2.727 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.839 -26.560 -3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.831 -27.955 -3.201 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.278 -28.622 -4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.275 -30.014 -4.418 1.00 0.00 H new ATOM 0 HH TYR A 65 7.721 -31.171 -5.481 1.00 0.00 H new ATOM 917 N ASP A 66 8.415 -27.448 0.624 1.00 0.00 N ATOM 918 CA ASP A 66 9.290 -28.293 1.430 1.00 0.00 C ATOM 919 C ASP A 66 9.035 -29.769 1.141 1.00 0.00 C ATOM 920 O ASP A 66 9.149 -30.614 2.030 1.00 0.00 O ATOM 921 CB ASP A 66 9.081 -28.008 2.918 1.00 0.00 C ATOM 922 CG ASP A 66 10.337 -28.242 3.734 1.00 0.00 C ATOM 923 OD1 ASP A 66 11.440 -28.202 3.150 1.00 0.00 O ATOM 924 OD2 ASP A 66 10.216 -28.464 4.957 1.00 0.00 O ATOM 0 H ASP A 66 7.434 -27.469 0.903 1.00 0.00 H new ATOM 0 HA ASP A 66 10.322 -28.062 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.756 -26.975 3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.281 -28.643 3.298 1.00 0.00 H new ATOM 929 N ASP A 67 8.690 -30.072 -0.105 1.00 0.00 N ATOM 930 CA ASP A 67 8.419 -31.446 -0.511 1.00 0.00 C ATOM 931 C ASP A 67 9.576 -32.364 -0.127 1.00 0.00 C ATOM 932 O ASP A 67 10.649 -31.900 0.256 1.00 0.00 O ATOM 933 CB ASP A 67 8.175 -31.517 -2.019 1.00 0.00 C ATOM 934 CG ASP A 67 7.541 -32.827 -2.443 1.00 0.00 C ATOM 935 OD1 ASP A 67 6.503 -33.199 -1.857 1.00 0.00 O ATOM 936 OD2 ASP A 67 8.082 -33.480 -3.359 1.00 0.00 O ATOM 0 H ASP A 67 8.591 -29.384 -0.852 1.00 0.00 H new ATOM 0 HA ASP A 67 7.523 -31.782 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.530 -30.691 -2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.122 -31.389 -2.544 1.00 0.00 H new ATOM 941 N GLY A 68 9.348 -33.670 -0.231 1.00 0.00 N ATOM 942 CA GLY A 68 10.380 -34.632 0.110 1.00 0.00 C ATOM 943 C GLY A 68 9.921 -35.627 1.158 1.00 0.00 C ATOM 944 O GLY A 68 10.724 -36.394 1.688 1.00 0.00 O ATOM 0 H GLY A 68 8.468 -34.079 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.683 -35.169 -0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.259 -34.102 0.477 1.00 0.00 H new TER 948 GLY A 68