USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 673 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 44 SER OG : rot -100:sc= -0.752 USER MOD Set 1.2: A 66 SER OG : rot 110:sc= -1.89 USER MOD Set 1.3: A 69 HIS : no HE2:sc= -0.0148 K(o=-2.8,f=-5.7!) USER MOD Set 1.4: A 70 MET CE :methyl -107:sc= -0.146 (180deg=-1.16) USER MOD Set 2.1: A 51 HIS : no HD1:sc= -5.64! C(o=-9.1!,f=-9.4!) USER MOD Set 2.2: A 54 HIS : no HD1:sc= -3.44! C(o=-9.1!,f=-10!) USER MOD Set 3.1: A 10 THR OG1 : rot 103:sc= -2.56 USER MOD Set 3.2: A 81 MET CE :methyl -121:sc= -5.6 (180deg=-9.96!) USER MOD Set 4.1: A 6 SER OG : rot 48:sc= -0.622 USER MOD Set 4.2: A 57 MET CE :methyl 173:sc= -5.1 (180deg=-4.83) USER MOD Set 5.1: A 5 THR OG1 : rot -50:sc= 1.06 USER MOD Set 5.2: A 92 GLN : amide:sc= 0.916 K(o=2,f=-2.3) USER MOD Set 6.1: A 4 SER OG : rot 123:sc= 0.61 USER MOD Set 6.2: A 71 GLN : amide:sc= -1.73! C(o=-1.1!,f=-0.75!) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.727 (180deg=-2.37!) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.785 (180deg=-1.33) USER MOD Single : A 7 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-3.3!) USER MOD Single : A 12 SER OG : rot -59:sc= 1.17 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -3.29! C(o=-3.3!,f=-3!) USER MOD Single : A 21 CYS SG : rot -7:sc= -2.18 USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0285) USER MOD Single : A 23 HIS : no HE2:sc= -0.8 K(o=-0.8,f=-3.6!) USER MOD Single : A 26 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.24) USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= -0.373 (180deg=-1.53!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.52 K(o=-1.5,f=-0.71) USER MOD Single : A 46 CYS SG : rot 171:sc= -1.98 USER MOD Single : A 60 ASN : amide:sc= -6.29! C(o=-6.3!,f=-6.6!) USER MOD Single : A 61 SER OG : rot -150:sc= -5.51! USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -3.13 K(o=-3.1,f=-4.8!) USER MOD Single : A 79 GLN : amide:sc= -2.48! C(o=-2.5!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.686 15.247 -5.359 1.00 0.00 N ATOM 2 CA MET A 1 7.078 14.123 -4.594 1.00 0.00 C ATOM 3 C MET A 1 5.652 14.449 -4.163 1.00 0.00 C ATOM 4 O MET A 1 5.414 15.057 -3.120 1.00 0.00 O ATOM 5 CB MET A 1 7.968 13.804 -3.388 1.00 0.00 C ATOM 6 CG MET A 1 8.014 14.903 -2.339 1.00 0.00 C ATOM 7 SD MET A 1 9.648 15.650 -2.181 1.00 0.00 S ATOM 8 CE MET A 1 9.547 16.948 -3.411 1.00 0.00 C ATOM 0 H1 MET A 1 8.708 15.084 -5.461 1.00 0.00 H new ATOM 0 H2 MET A 1 7.248 15.303 -6.301 1.00 0.00 H new ATOM 0 H3 MET A 1 7.527 16.140 -4.850 1.00 0.00 H new ATOM 0 HA MET A 1 7.016 13.245 -5.236 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.612 12.886 -2.921 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.981 13.610 -3.740 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.290 15.676 -2.597 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.713 14.492 -1.375 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.267 17.731 -3.174 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.771 16.535 -4.395 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.541 17.369 -3.414 1.00 0.00 H new ATOM 17 N PHE A 2 4.706 14.015 -4.984 1.00 0.00 N ATOM 18 CA PHE A 2 3.284 14.226 -4.718 1.00 0.00 C ATOM 19 C PHE A 2 2.789 13.124 -3.787 1.00 0.00 C ATOM 20 O PHE A 2 3.519 12.165 -3.535 1.00 0.00 O ATOM 21 CB PHE A 2 2.481 14.237 -6.031 1.00 0.00 C ATOM 22 CG PHE A 2 3.283 14.637 -7.240 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.840 15.904 -7.329 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.473 13.750 -8.288 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.571 16.277 -8.441 1.00 0.00 C ATOM 26 CE2 PHE A 2 4.204 14.118 -9.401 1.00 0.00 C ATOM 27 CZ PHE A 2 4.753 15.383 -9.477 1.00 0.00 C ATOM 0 H PHE A 2 4.897 13.509 -5.849 1.00 0.00 H new ATOM 0 HA PHE A 2 3.142 15.195 -4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.064 13.244 -6.197 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.640 14.922 -5.924 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.701 16.607 -6.521 1.00 0.00 H new ATOM 0 HD2 PHE A 2 3.045 12.760 -8.234 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.999 17.267 -8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.346 13.417 -10.211 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.324 15.673 -10.346 1.00 0.00 H new ATOM 37 N ARG A 3 1.568 13.239 -3.264 1.00 0.00 N ATOM 38 CA ARG A 3 1.071 12.201 -2.364 1.00 0.00 C ATOM 39 C ARG A 3 -0.444 12.000 -2.460 1.00 0.00 C ATOM 40 O ARG A 3 -1.224 12.932 -2.260 1.00 0.00 O ATOM 41 CB ARG A 3 1.473 12.494 -0.909 1.00 0.00 C ATOM 42 CG ARG A 3 2.252 11.356 -0.273 1.00 0.00 C ATOM 43 CD ARG A 3 3.730 11.682 -0.138 1.00 0.00 C ATOM 44 NE ARG A 3 4.204 11.516 1.234 1.00 0.00 N ATOM 45 CZ ARG A 3 4.247 10.345 1.867 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.852 9.236 1.254 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.690 10.283 3.115 1.00 0.00 N ATOM 0 H ARG A 3 0.925 14.011 -3.440 1.00 0.00 H new ATOM 0 HA ARG A 3 1.539 11.271 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG A 3 2.075 13.402 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.576 12.687 -0.321 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.837 11.139 0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 3 2.133 10.455 -0.875 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.306 11.036 -0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.906 12.708 -0.461 1.00 0.00 H new ATOM 0 HE ARG A 3 4.520 12.345 1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.513 9.278 0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.887 8.342 1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.998 11.132 3.590 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.723 9.387 3.600 1.00 0.00 H new ATOM 61 N SER A 4 -0.837 10.755 -2.734 1.00 0.00 N ATOM 62 CA SER A 4 -2.240 10.362 -2.832 1.00 0.00 C ATOM 63 C SER A 4 -2.548 9.360 -1.728 1.00 0.00 C ATOM 64 O SER A 4 -1.632 8.790 -1.137 1.00 0.00 O ATOM 65 CB SER A 4 -2.529 9.729 -4.199 1.00 0.00 C ATOM 66 OG SER A 4 -3.558 8.756 -4.109 1.00 0.00 O ATOM 0 H SER A 4 -0.185 9.987 -2.895 1.00 0.00 H new ATOM 0 HA SER A 4 -2.868 11.246 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.820 10.505 -4.907 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.621 9.267 -4.587 1.00 0.00 H new ATOM 0 HG SER A 4 -4.289 8.996 -4.716 1.00 0.00 H new ATOM 72 N THR A 5 -3.825 9.132 -1.448 1.00 0.00 N ATOM 73 CA THR A 5 -4.184 8.181 -0.406 1.00 0.00 C ATOM 74 C THR A 5 -5.475 7.432 -0.722 1.00 0.00 C ATOM 75 O THR A 5 -6.501 8.039 -1.029 1.00 0.00 O ATOM 76 CB THR A 5 -4.309 8.884 0.952 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.457 9.711 0.982 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.115 9.749 1.324 1.00 0.00 C ATOM 0 H THR A 5 -4.612 9.581 -1.916 1.00 0.00 H new ATOM 0 HA THR A 5 -3.379 7.447 -0.361 1.00 0.00 H new ATOM 0 HB THR A 5 -4.374 8.072 1.676 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.471 10.280 0.184 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.287 10.208 2.298 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.218 9.132 1.368 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.983 10.529 0.574 1.00 0.00 H new ATOM 86 N SER A 6 -5.415 6.105 -0.626 1.00 0.00 N ATOM 87 CA SER A 6 -6.581 5.260 -0.881 1.00 0.00 C ATOM 88 C SER A 6 -7.078 4.614 0.416 1.00 0.00 C ATOM 89 O SER A 6 -6.293 4.047 1.176 1.00 0.00 O ATOM 90 CB SER A 6 -6.245 4.177 -1.908 1.00 0.00 C ATOM 91 OG SER A 6 -7.415 3.508 -2.344 1.00 0.00 O ATOM 0 H SER A 6 -4.571 5.591 -0.373 1.00 0.00 H new ATOM 0 HA SER A 6 -7.374 5.892 -1.281 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.739 4.626 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.553 3.458 -1.470 1.00 0.00 H new ATOM 0 HG SER A 6 -8.102 4.168 -2.575 1.00 0.00 H new ATOM 97 N HIS A 7 -8.385 4.702 0.660 1.00 0.00 N ATOM 98 CA HIS A 7 -8.986 4.121 1.868 1.00 0.00 C ATOM 99 C HIS A 7 -9.919 2.962 1.514 1.00 0.00 C ATOM 100 O HIS A 7 -10.761 3.081 0.624 1.00 0.00 O ATOM 101 CB HIS A 7 -9.755 5.193 2.652 1.00 0.00 C ATOM 102 CG HIS A 7 -10.286 4.720 3.973 1.00 0.00 C ATOM 103 ND1 HIS A 7 -11.092 3.608 4.114 1.00 0.00 N ATOM 104 CD2 HIS A 7 -10.123 5.221 5.221 1.00 0.00 C ATOM 105 CE1 HIS A 7 -11.400 3.448 5.390 1.00 0.00 C ATOM 106 NE2 HIS A 7 -10.824 4.412 6.081 1.00 0.00 N ATOM 0 H HIS A 7 -9.049 5.168 0.042 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.180 3.735 2.492 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.098 6.046 2.821 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.587 5.547 2.043 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.548 6.095 5.490 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.018 2.661 5.797 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.889 4.537 7.091 1.00 0.00 H new ATOM 115 N VAL A 8 -9.760 1.836 2.214 1.00 0.00 N ATOM 116 CA VAL A 8 -10.588 0.655 1.967 1.00 0.00 C ATOM 117 C VAL A 8 -10.968 -0.036 3.274 1.00 0.00 C ATOM 118 O VAL A 8 -10.233 0.047 4.258 1.00 0.00 O ATOM 119 CB VAL A 8 -9.857 -0.369 1.069 1.00 0.00 C ATOM 120 CG1 VAL A 8 -10.848 -1.314 0.407 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.001 0.336 0.025 1.00 0.00 C ATOM 0 H VAL A 8 -9.068 1.718 2.954 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.488 1.006 1.461 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.197 -0.961 1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.310 -2.025 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.404 -1.854 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.542 -0.741 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.497 -0.406 -0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.635 0.962 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.257 0.958 0.524 1.00 0.00 H new ATOM 131 N ARG A 9 -12.097 -0.746 3.281 1.00 0.00 N ATOM 132 CA ARG A 9 -12.508 -1.467 4.486 1.00 0.00 C ATOM 133 C ARG A 9 -12.158 -2.949 4.347 1.00 0.00 C ATOM 134 O ARG A 9 -12.809 -3.685 3.605 1.00 0.00 O ATOM 135 CB ARG A 9 -14.012 -1.305 4.754 1.00 0.00 C ATOM 136 CG ARG A 9 -14.329 -0.207 5.755 1.00 0.00 C ATOM 137 CD ARG A 9 -14.006 1.168 5.194 1.00 0.00 C ATOM 138 NE ARG A 9 -14.853 1.508 4.053 1.00 0.00 N ATOM 139 CZ ARG A 9 -15.048 2.750 3.616 1.00 0.00 C ATOM 140 NH1 ARG A 9 -14.455 3.773 4.219 1.00 0.00 N ATOM 141 NH2 ARG A 9 -15.836 2.970 2.573 1.00 0.00 N ATOM 0 H ARG A 9 -12.730 -0.837 2.486 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.971 -1.042 5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.520 -1.088 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.412 -2.250 5.122 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.384 -0.252 6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.759 -0.371 6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.133 1.917 5.976 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.960 1.199 4.890 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.323 0.748 3.562 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.847 3.609 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.608 4.723 3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.293 2.187 2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.985 3.922 2.238 1.00 0.00 H new ATOM 155 N THR A 10 -11.115 -3.375 5.057 1.00 0.00 N ATOM 156 CA THR A 10 -10.659 -4.764 5.012 1.00 0.00 C ATOM 157 C THR A 10 -10.472 -5.348 6.414 1.00 0.00 C ATOM 158 O THR A 10 -10.248 -4.612 7.366 1.00 0.00 O ATOM 159 CB THR A 10 -9.363 -4.861 4.205 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.508 -5.784 3.142 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.168 -5.289 5.024 1.00 0.00 C ATOM 0 H THR A 10 -10.567 -2.775 5.674 1.00 0.00 H new ATOM 0 HA THR A 10 -11.431 -5.356 4.520 1.00 0.00 H new ATOM 0 HB THR A 10 -9.180 -3.852 3.836 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.632 -5.297 2.301 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.286 -5.335 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.998 -4.569 5.824 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.356 -6.272 5.455 1.00 0.00 H new ATOM 169 N GLU A 11 -10.532 -6.671 6.532 1.00 0.00 N ATOM 170 CA GLU A 11 -10.334 -7.327 7.825 1.00 0.00 C ATOM 171 C GLU A 11 -8.965 -8.017 7.898 1.00 0.00 C ATOM 172 O GLU A 11 -8.455 -8.509 6.891 1.00 0.00 O ATOM 173 CB GLU A 11 -11.451 -8.340 8.078 1.00 0.00 C ATOM 174 CG GLU A 11 -12.216 -8.068 9.359 1.00 0.00 C ATOM 175 CD GLU A 11 -12.080 -9.187 10.373 1.00 0.00 C ATOM 176 OE1 GLU A 11 -10.934 -9.523 10.736 1.00 0.00 O ATOM 177 OE2 GLU A 11 -13.121 -9.728 10.803 1.00 0.00 O ATOM 0 H GLU A 11 -10.714 -7.308 5.756 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.364 -6.560 8.599 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.144 -8.326 7.237 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.023 -9.342 8.122 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.857 -7.138 9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.270 -7.923 9.123 1.00 0.00 H new ATOM 184 N SER A 12 -8.373 -8.048 9.099 1.00 0.00 N ATOM 185 CA SER A 12 -7.068 -8.676 9.305 1.00 0.00 C ATOM 186 C SER A 12 -5.992 -8.019 8.446 1.00 0.00 C ATOM 187 O SER A 12 -4.969 -8.629 8.134 1.00 0.00 O ATOM 188 CB SER A 12 -7.145 -10.167 9.001 1.00 0.00 C ATOM 189 OG SER A 12 -5.873 -10.782 9.126 1.00 0.00 O ATOM 0 H SER A 12 -8.781 -7.644 9.942 1.00 0.00 H new ATOM 0 HA SER A 12 -6.793 -8.539 10.351 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.851 -10.644 9.681 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.526 -10.316 7.991 1.00 0.00 H new ATOM 0 HG SER A 12 -5.243 -10.359 8.506 1.00 0.00 H new ATOM 195 N ALA A 13 -6.237 -6.772 8.072 1.00 0.00 N ATOM 196 CA ALA A 13 -5.295 -6.009 7.245 1.00 0.00 C ATOM 197 C ALA A 13 -3.865 -6.047 7.788 1.00 0.00 C ATOM 198 O ALA A 13 -2.929 -6.418 7.079 1.00 0.00 O ATOM 199 CB ALA A 13 -5.750 -4.567 7.136 1.00 0.00 C ATOM 0 H ALA A 13 -7.082 -6.260 8.326 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.286 -6.481 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.045 -4.008 6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.739 -4.531 6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.794 -4.123 8.131 1.00 0.00 H new ATOM 205 N ALA A 14 -3.703 -5.620 9.034 1.00 0.00 N ATOM 206 CA ALA A 14 -2.384 -5.553 9.681 1.00 0.00 C ATOM 207 C ALA A 14 -1.493 -6.769 9.400 1.00 0.00 C ATOM 208 O ALA A 14 -0.270 -6.676 9.511 1.00 0.00 O ATOM 209 CB ALA A 14 -2.561 -5.362 11.176 1.00 0.00 C ATOM 0 H ALA A 14 -4.473 -5.310 9.628 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.865 -4.698 9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.583 -5.312 11.655 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.104 -4.435 11.363 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.124 -6.201 11.586 1.00 0.00 H new ATOM 215 N ARG A 15 -2.088 -7.903 9.048 1.00 0.00 N ATOM 216 CA ARG A 15 -1.316 -9.108 8.775 1.00 0.00 C ATOM 217 C ARG A 15 -0.631 -9.041 7.421 1.00 0.00 C ATOM 218 O ARG A 15 0.543 -9.394 7.302 1.00 0.00 O ATOM 219 CB ARG A 15 -2.227 -10.330 8.853 1.00 0.00 C ATOM 220 CG ARG A 15 -1.485 -11.624 9.139 1.00 0.00 C ATOM 221 CD ARG A 15 -0.617 -12.062 7.969 1.00 0.00 C ATOM 222 NE ARG A 15 -1.081 -13.318 7.385 1.00 0.00 N ATOM 223 CZ ARG A 15 -1.032 -14.490 8.014 1.00 0.00 C ATOM 224 NH1 ARG A 15 -0.539 -14.571 9.243 1.00 0.00 N ATOM 225 NH2 ARG A 15 -1.477 -15.584 7.411 1.00 0.00 N ATOM 0 H ARG A 15 -3.097 -8.013 8.946 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.534 -9.190 9.530 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.972 -10.168 9.632 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.767 -10.431 7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.861 -11.495 10.023 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.205 -12.410 9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.618 -11.284 7.205 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.414 -12.177 8.305 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.465 -13.296 6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.195 -13.732 9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.504 -15.472 9.720 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -1.856 -15.527 6.466 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.440 -16.483 7.892 1.00 0.00 H new ATOM 239 N TYR A 16 -1.343 -8.583 6.402 1.00 0.00 N ATOM 240 CA TYR A 16 -0.744 -8.483 5.082 1.00 0.00 C ATOM 241 C TYR A 16 0.360 -7.439 5.112 1.00 0.00 C ATOM 242 O TYR A 16 1.424 -7.636 4.537 1.00 0.00 O ATOM 243 CB TYR A 16 -1.792 -8.166 4.005 1.00 0.00 C ATOM 244 CG TYR A 16 -3.004 -9.090 4.012 1.00 0.00 C ATOM 245 CD1 TYR A 16 -2.904 -10.438 4.365 1.00 0.00 C ATOM 246 CD2 TYR A 16 -4.259 -8.603 3.668 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.015 -11.258 4.372 1.00 0.00 C ATOM 248 CE2 TYR A 16 -5.372 -9.420 3.677 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.246 -10.745 4.029 1.00 0.00 C ATOM 250 OH TYR A 16 -6.354 -11.562 4.039 1.00 0.00 O ATOM 0 H TYR A 16 -2.315 -8.281 6.461 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.313 -9.448 4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.133 -7.139 4.139 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.316 -8.219 3.026 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -1.942 -10.846 4.637 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.366 -7.565 3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.919 -12.298 4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.339 -9.021 3.409 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.144 -11.046 3.773 1.00 0.00 H new ATOM 260 N VAL A 17 0.139 -6.350 5.836 1.00 0.00 N ATOM 261 CA VAL A 17 1.179 -5.329 5.955 1.00 0.00 C ATOM 262 C VAL A 17 2.406 -5.957 6.597 1.00 0.00 C ATOM 263 O VAL A 17 3.544 -5.635 6.252 1.00 0.00 O ATOM 264 CB VAL A 17 0.726 -4.089 6.774 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.899 -3.427 7.493 1.00 0.00 C ATOM 266 CG2 VAL A 17 0.051 -3.082 5.866 1.00 0.00 C ATOM 0 H VAL A 17 -0.726 -6.150 6.339 1.00 0.00 H new ATOM 0 HA VAL A 17 1.405 -4.967 4.952 1.00 0.00 H new ATOM 0 HB VAL A 17 0.019 -4.434 7.529 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.541 -2.564 8.055 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.356 -4.141 8.178 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.638 -3.102 6.761 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.262 -2.217 6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.750 -2.763 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.821 -3.540 5.400 1.00 0.00 H new ATOM 276 N ASN A 18 2.154 -6.860 7.535 1.00 0.00 N ATOM 277 CA ASN A 18 3.220 -7.550 8.239 1.00 0.00 C ATOM 278 C ASN A 18 3.855 -8.649 7.385 1.00 0.00 C ATOM 279 O ASN A 18 5.065 -8.859 7.453 1.00 0.00 O ATOM 280 CB ASN A 18 2.690 -8.150 9.543 1.00 0.00 C ATOM 281 CG ASN A 18 2.727 -7.162 10.693 1.00 0.00 C ATOM 282 OD1 ASN A 18 3.228 -7.471 11.775 1.00 0.00 O ATOM 283 ND2 ASN A 18 2.194 -5.967 10.466 1.00 0.00 N ATOM 0 H ASN A 18 1.214 -7.131 7.825 1.00 0.00 H new ATOM 0 HA ASN A 18 3.992 -6.813 8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.665 -8.490 9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.282 -9.028 9.803 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.189 -5.262 11.203 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.790 -5.754 9.554 1.00 0.00 H new ATOM 290 N ARG A 19 3.049 -9.373 6.603 1.00 0.00 N ATOM 291 CA ARG A 19 3.585 -10.461 5.785 1.00 0.00 C ATOM 292 C ARG A 19 4.112 -9.991 4.424 1.00 0.00 C ATOM 293 O ARG A 19 5.076 -10.553 3.904 1.00 0.00 O ATOM 294 CB ARG A 19 2.521 -11.542 5.587 1.00 0.00 C ATOM 295 CG ARG A 19 2.993 -12.927 5.992 1.00 0.00 C ATOM 296 CD ARG A 19 2.264 -13.434 7.224 1.00 0.00 C ATOM 297 NE ARG A 19 2.672 -14.791 7.583 1.00 0.00 N ATOM 298 CZ ARG A 19 3.853 -15.093 8.118 1.00 0.00 C ATOM 299 NH1 ARG A 19 4.744 -14.139 8.361 1.00 0.00 N ATOM 300 NH2 ARG A 19 4.143 -16.353 8.414 1.00 0.00 N ATOM 0 H ARG A 19 2.043 -9.229 6.520 1.00 0.00 H new ATOM 0 HA ARG A 19 4.437 -10.869 6.328 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.636 -11.282 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.221 -11.559 4.539 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.836 -13.620 5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.065 -12.903 6.188 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.458 -12.764 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.189 -13.415 7.043 1.00 0.00 H new ATOM 0 HE ARG A 19 2.013 -15.551 7.414 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.525 -13.168 8.138 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.647 -14.377 8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.461 -17.090 8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 19 5.048 -16.585 8.824 1.00 0.00 H new ATOM 314 N LEU A 20 3.473 -8.986 3.839 1.00 0.00 N ATOM 315 CA LEU A 20 3.877 -8.480 2.533 1.00 0.00 C ATOM 316 C LEU A 20 5.328 -8.016 2.511 1.00 0.00 C ATOM 317 O LEU A 20 6.084 -8.364 1.604 1.00 0.00 O ATOM 318 CB LEU A 20 2.964 -7.335 2.116 1.00 0.00 C ATOM 319 CG LEU A 20 1.501 -7.719 1.879 1.00 0.00 C ATOM 320 CD1 LEU A 20 0.772 -6.561 1.225 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.374 -8.980 1.025 1.00 0.00 C ATOM 0 H LEU A 20 2.672 -8.505 4.248 1.00 0.00 H new ATOM 0 HA LEU A 20 3.789 -9.305 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.000 -6.564 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.359 -6.891 1.202 1.00 0.00 H new ATOM 0 HG LEU A 20 1.048 -7.938 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.269 -6.835 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.817 -5.688 1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.244 -6.326 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.320 -9.217 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.844 -8.812 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.868 -9.811 1.528 1.00 0.00 H new ATOM 333 N CYS A 21 5.716 -7.218 3.499 1.00 0.00 N ATOM 334 CA CYS A 21 7.079 -6.702 3.563 1.00 0.00 C ATOM 335 C CYS A 21 8.099 -7.831 3.480 1.00 0.00 C ATOM 336 O CYS A 21 9.133 -7.699 2.830 1.00 0.00 O ATOM 337 CB CYS A 21 7.289 -5.897 4.848 1.00 0.00 C ATOM 338 SG CYS A 21 6.627 -6.689 6.333 1.00 0.00 S ATOM 0 H CYS A 21 5.111 -6.915 4.262 1.00 0.00 H new ATOM 0 HA CYS A 21 7.227 -6.044 2.706 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.357 -5.726 4.986 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.822 -4.919 4.732 1.00 0.00 H new ATOM 0 HG CYS A 21 5.961 -7.753 5.997 1.00 0.00 H new ATOM 344 N LYS A 22 7.794 -8.944 4.127 1.00 0.00 N ATOM 345 CA LYS A 22 8.681 -10.100 4.115 1.00 0.00 C ATOM 346 C LYS A 22 8.563 -10.860 2.795 1.00 0.00 C ATOM 347 O LYS A 22 9.449 -11.632 2.429 1.00 0.00 O ATOM 348 CB LYS A 22 8.350 -11.034 5.281 1.00 0.00 C ATOM 349 CG LYS A 22 8.472 -10.379 6.650 1.00 0.00 C ATOM 350 CD LYS A 22 7.287 -10.728 7.537 1.00 0.00 C ATOM 351 CE LYS A 22 7.345 -12.174 7.993 1.00 0.00 C ATOM 352 NZ LYS A 22 8.370 -12.383 9.054 1.00 0.00 N ATOM 0 H LYS A 22 6.939 -9.073 4.668 1.00 0.00 H new ATOM 0 HA LYS A 22 9.705 -9.743 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.334 -11.408 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.014 -11.898 5.242 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.396 -10.703 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.536 -9.297 6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.275 -10.071 8.406 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.359 -10.553 6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.367 -12.475 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.570 -12.815 7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.286 -13.348 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.319 -12.251 8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.221 -11.696 9.821 1.00 0.00 H new ATOM 366 N HIS A 23 7.452 -10.646 2.095 1.00 0.00 N ATOM 367 CA HIS A 23 7.200 -11.322 0.825 1.00 0.00 C ATOM 368 C HIS A 23 7.839 -10.599 -0.355 1.00 0.00 C ATOM 369 O HIS A 23 8.708 -11.153 -1.026 1.00 0.00 O ATOM 370 CB HIS A 23 5.698 -11.469 0.583 1.00 0.00 C ATOM 371 CG HIS A 23 5.071 -12.586 1.358 1.00 0.00 C ATOM 372 ND1 HIS A 23 5.311 -12.803 2.699 1.00 0.00 N ATOM 373 CD2 HIS A 23 4.207 -13.555 0.972 1.00 0.00 C ATOM 374 CE1 HIS A 23 4.623 -13.857 3.103 1.00 0.00 C ATOM 375 NE2 HIS A 23 3.945 -14.330 2.074 1.00 0.00 N ATOM 0 H HIS A 23 6.711 -10.009 2.386 1.00 0.00 H new ATOM 0 HA HIS A 23 7.658 -12.308 0.899 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.203 -10.534 0.845 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.525 -11.634 -0.480 1.00 0.00 H new ATOM 0 HD1 HIS A 23 5.924 -12.238 3.287 1.00 0.00 H new ATOM 0 HD2 HIS A 23 3.800 -13.692 -0.019 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.617 -14.262 4.104 1.00 0.00 H new ATOM 384 N TRP A 24 7.400 -9.367 -0.627 1.00 0.00 N ATOM 385 CA TRP A 24 7.944 -8.619 -1.751 1.00 0.00 C ATOM 386 C TRP A 24 9.368 -8.142 -1.462 1.00 0.00 C ATOM 387 O TRP A 24 10.080 -7.715 -2.371 1.00 0.00 O ATOM 388 CB TRP A 24 7.037 -7.437 -2.084 1.00 0.00 C ATOM 389 CG TRP A 24 5.678 -7.851 -2.560 1.00 0.00 C ATOM 390 CD1 TRP A 24 4.481 -7.573 -1.964 1.00 0.00 C ATOM 391 CD2 TRP A 24 5.376 -8.620 -3.729 1.00 0.00 C ATOM 392 NE1 TRP A 24 3.454 -8.123 -2.692 1.00 0.00 N ATOM 393 CE2 TRP A 24 3.978 -8.771 -3.781 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.153 -9.196 -4.739 1.00 0.00 C ATOM 395 CZ2 TRP A 24 3.340 -9.472 -4.801 1.00 0.00 C ATOM 396 CZ3 TRP A 24 5.520 -9.892 -5.751 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.125 -10.024 -5.776 1.00 0.00 C ATOM 0 H TRP A 24 6.682 -8.878 -0.092 1.00 0.00 H new ATOM 0 HA TRP A 24 7.987 -9.284 -2.614 1.00 0.00 H new ATOM 0 HB2 TRP A 24 6.929 -6.810 -1.199 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.513 -6.827 -2.851 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.360 -7.004 -1.054 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.463 -8.060 -2.460 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.229 -9.099 -4.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.265 -9.576 -4.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.110 -10.342 -6.536 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.660 -10.573 -6.582 1.00 0.00 H new ATOM 408 N GLY A 25 9.787 -8.221 -0.196 1.00 0.00 N ATOM 409 CA GLY A 25 11.125 -7.798 0.166 1.00 0.00 C ATOM 410 C GLY A 25 12.194 -8.722 -0.381 1.00 0.00 C ATOM 411 O GLY A 25 12.824 -9.465 0.371 1.00 0.00 O ATOM 0 H GLY A 25 9.222 -8.570 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.297 -6.788 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.208 -7.755 1.252 1.00 0.00 H new ATOM 415 N HIS A 26 12.401 -8.678 -1.691 1.00 0.00 N ATOM 416 CA HIS A 26 13.403 -9.519 -2.331 1.00 0.00 C ATOM 417 C HIS A 26 14.573 -8.681 -2.835 1.00 0.00 C ATOM 418 O HIS A 26 15.711 -9.148 -2.875 1.00 0.00 O ATOM 419 CB HIS A 26 12.779 -10.300 -3.490 1.00 0.00 C ATOM 420 CG HIS A 26 12.525 -11.741 -3.171 1.00 0.00 C ATOM 421 ND1 HIS A 26 11.743 -12.560 -3.959 1.00 0.00 N ATOM 422 CD2 HIS A 26 12.956 -12.511 -2.143 1.00 0.00 C ATOM 423 CE1 HIS A 26 11.704 -13.770 -3.429 1.00 0.00 C ATOM 424 NE2 HIS A 26 12.432 -13.766 -2.327 1.00 0.00 N ATOM 0 H HIS A 26 11.889 -8.070 -2.330 1.00 0.00 H new ATOM 0 HA HIS A 26 13.779 -10.224 -1.590 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.838 -9.827 -3.772 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.438 -10.238 -4.356 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.593 -12.196 -1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.168 -14.618 -3.829 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.581 -14.566 -1.712 1.00 0.00 H new ATOM 433 N LYS A 27 14.284 -7.444 -3.228 1.00 0.00 N ATOM 434 CA LYS A 27 15.320 -6.549 -3.740 1.00 0.00 C ATOM 435 C LYS A 27 15.006 -5.087 -3.405 1.00 0.00 C ATOM 436 O LYS A 27 15.576 -4.170 -3.994 1.00 0.00 O ATOM 437 CB LYS A 27 15.444 -6.739 -5.261 1.00 0.00 C ATOM 438 CG LYS A 27 16.355 -5.737 -5.965 1.00 0.00 C ATOM 439 CD LYS A 27 15.557 -4.619 -6.621 1.00 0.00 C ATOM 440 CE LYS A 27 15.219 -4.935 -8.071 1.00 0.00 C ATOM 441 NZ LYS A 27 16.390 -5.481 -8.812 1.00 0.00 N ATOM 0 H LYS A 27 13.348 -7.039 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 27 16.268 -6.797 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.815 -7.745 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.449 -6.675 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.054 -5.312 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.949 -6.252 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.636 -4.454 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.128 -3.691 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.402 -5.655 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.867 -4.030 -8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.311 -5.232 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.266 -5.077 -8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.412 -6.516 -8.712 1.00 0.00 H new ATOM 455 N PHE A 28 14.102 -4.866 -2.453 1.00 0.00 N ATOM 456 CA PHE A 28 13.737 -3.513 -2.066 1.00 0.00 C ATOM 457 C PHE A 28 13.632 -3.380 -0.557 1.00 0.00 C ATOM 458 O PHE A 28 13.562 -4.376 0.163 1.00 0.00 O ATOM 459 CB PHE A 28 12.424 -3.111 -2.734 1.00 0.00 C ATOM 460 CG PHE A 28 12.541 -2.993 -4.227 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.056 -1.845 -4.804 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.143 -4.033 -5.052 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.172 -1.733 -6.176 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.257 -3.928 -6.425 1.00 0.00 C ATOM 465 CZ PHE A 28 12.772 -2.778 -6.988 1.00 0.00 C ATOM 0 H PHE A 28 13.615 -5.602 -1.942 1.00 0.00 H new ATOM 0 HA PHE A 28 14.525 -2.839 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.658 -3.848 -2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.090 -2.158 -2.324 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.371 -1.027 -4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.739 -4.935 -4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.574 -0.831 -6.613 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.943 -4.745 -7.057 1.00 0.00 H new ATOM 0 HZ PHE A 28 12.862 -2.695 -8.061 1.00 0.00 H new ATOM 475 N GLU A 29 13.627 -2.141 -0.084 1.00 0.00 N ATOM 476 CA GLU A 29 13.537 -1.883 1.346 1.00 0.00 C ATOM 477 C GLU A 29 12.111 -2.077 1.833 1.00 0.00 C ATOM 478 O GLU A 29 11.205 -1.349 1.434 1.00 0.00 O ATOM 479 CB GLU A 29 14.017 -0.471 1.676 1.00 0.00 C ATOM 480 CG GLU A 29 13.095 0.622 1.164 1.00 0.00 C ATOM 481 CD GLU A 29 13.701 2.004 1.317 1.00 0.00 C ATOM 482 OE1 GLU A 29 14.796 2.237 0.763 1.00 0.00 O ATOM 483 OE2 GLU A 29 13.082 2.853 1.991 1.00 0.00 O ATOM 0 H GLU A 29 13.684 -1.305 -0.665 1.00 0.00 H new ATOM 0 HA GLU A 29 14.184 -2.595 1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.116 -0.374 2.757 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.010 -0.325 1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.869 0.441 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.150 0.580 1.705 1.00 0.00 H new ATOM 490 N VAL A 30 11.917 -3.064 2.695 1.00 0.00 N ATOM 491 CA VAL A 30 10.595 -3.349 3.230 1.00 0.00 C ATOM 492 C VAL A 30 10.600 -3.275 4.755 1.00 0.00 C ATOM 493 O VAL A 30 11.199 -4.118 5.424 1.00 0.00 O ATOM 494 CB VAL A 30 10.089 -4.744 2.786 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.131 -4.637 1.605 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.254 -5.658 2.437 1.00 0.00 C ATOM 0 H VAL A 30 12.655 -3.679 3.038 1.00 0.00 H new ATOM 0 HA VAL A 30 9.919 -2.592 2.833 1.00 0.00 H new ATOM 0 HB VAL A 30 9.546 -5.177 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.794 -5.633 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.271 -4.031 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.642 -4.170 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.873 -6.631 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.830 -5.219 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.895 -5.780 3.310 1.00 0.00 H new ATOM 506 N GLU A 31 9.926 -2.266 5.299 1.00 0.00 N ATOM 507 CA GLU A 31 9.850 -2.084 6.743 1.00 0.00 C ATOM 508 C GLU A 31 8.591 -2.740 7.300 1.00 0.00 C ATOM 509 O GLU A 31 7.618 -2.950 6.576 1.00 0.00 O ATOM 510 CB GLU A 31 9.865 -0.594 7.093 1.00 0.00 C ATOM 511 CG GLU A 31 10.843 -0.241 8.202 1.00 0.00 C ATOM 512 CD GLU A 31 11.292 1.207 8.144 1.00 0.00 C ATOM 513 OE1 GLU A 31 11.167 1.824 7.064 1.00 0.00 O ATOM 514 OE2 GLU A 31 11.769 1.723 9.176 1.00 0.00 O ATOM 0 H GLU A 31 9.424 -1.561 4.759 1.00 0.00 H new ATOM 0 HA GLU A 31 10.720 -2.561 7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.118 -0.022 6.200 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.862 -0.289 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.377 -0.435 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.715 -0.891 8.133 1.00 0.00 H new ATOM 521 N LEU A 32 8.617 -3.067 8.586 1.00 0.00 N ATOM 522 CA LEU A 32 7.473 -3.704 9.230 1.00 0.00 C ATOM 523 C LEU A 32 7.270 -3.174 10.643 1.00 0.00 C ATOM 524 O LEU A 32 8.038 -3.487 11.553 1.00 0.00 O ATOM 525 CB LEU A 32 7.666 -5.225 9.265 1.00 0.00 C ATOM 526 CG LEU A 32 6.420 -6.056 9.609 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.809 -7.504 9.861 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.697 -5.485 10.825 1.00 0.00 C ATOM 0 H LEU A 32 9.413 -2.903 9.202 1.00 0.00 H new ATOM 0 HA LEU A 32 6.583 -3.467 8.646 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.035 -5.547 8.291 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.444 -5.456 9.993 1.00 0.00 H new ATOM 0 HG LEU A 32 5.738 -6.013 8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.918 -8.083 10.104 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.277 -7.916 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.511 -7.553 10.693 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.820 -6.093 11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.368 -5.492 11.684 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.386 -4.461 10.616 1.00 0.00 H new ATOM 540 N THR A 33 6.211 -2.395 10.825 1.00 0.00 N ATOM 541 CA THR A 33 5.879 -1.847 12.134 1.00 0.00 C ATOM 542 C THR A 33 4.419 -2.146 12.436 1.00 0.00 C ATOM 543 O THR A 33 3.628 -2.366 11.519 1.00 0.00 O ATOM 544 CB THR A 33 6.127 -0.337 12.162 1.00 0.00 C ATOM 545 OG1 THR A 33 5.589 0.280 11.006 1.00 0.00 O ATOM 546 CG2 THR A 33 7.594 0.027 12.237 1.00 0.00 C ATOM 0 H THR A 33 5.566 -2.128 10.081 1.00 0.00 H new ATOM 0 HA THR A 33 6.513 -2.307 12.892 1.00 0.00 H new ATOM 0 HB THR A 33 5.634 0.021 13.066 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.756 1.245 11.043 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.699 1.112 12.254 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.027 -0.394 13.144 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.113 -0.375 11.367 1.00 0.00 H new ATOM 554 N PRO A 34 4.027 -2.155 13.715 1.00 0.00 N ATOM 555 CA PRO A 34 2.642 -2.427 14.095 1.00 0.00 C ATOM 556 C PRO A 34 1.736 -1.255 13.766 1.00 0.00 C ATOM 557 O PRO A 34 0.997 -0.763 14.620 1.00 0.00 O ATOM 558 CB PRO A 34 2.721 -2.647 15.598 1.00 0.00 C ATOM 559 CG PRO A 34 3.931 -1.894 16.041 1.00 0.00 C ATOM 560 CD PRO A 34 4.890 -1.895 14.878 1.00 0.00 C ATOM 0 HA PRO A 34 2.221 -3.278 13.560 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.824 -2.280 16.097 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.808 -3.707 15.837 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.670 -0.875 16.327 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.382 -2.365 16.915 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.409 -0.941 14.786 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.654 -2.664 14.990 1.00 0.00 H new ATOM 568 N GLU A 35 1.810 -0.815 12.519 1.00 0.00 N ATOM 569 CA GLU A 35 1.020 0.305 12.046 1.00 0.00 C ATOM 570 C GLU A 35 0.963 0.332 10.518 1.00 0.00 C ATOM 571 O GLU A 35 -0.084 0.627 9.940 1.00 0.00 O ATOM 572 CB GLU A 35 1.606 1.621 12.571 1.00 0.00 C ATOM 573 CG GLU A 35 1.593 1.733 14.085 1.00 0.00 C ATOM 574 CD GLU A 35 1.894 3.138 14.568 1.00 0.00 C ATOM 575 OE1 GLU A 35 0.942 3.933 14.716 1.00 0.00 O ATOM 576 OE2 GLU A 35 3.082 3.444 14.800 1.00 0.00 O ATOM 0 H GLU A 35 2.418 -1.225 11.810 1.00 0.00 H new ATOM 0 HA GLU A 35 0.004 0.187 12.423 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.632 1.718 12.217 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.043 2.453 12.149 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.617 1.425 14.460 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.327 1.044 14.503 1.00 0.00 H new ATOM 583 N ARG A 36 2.087 0.030 9.859 1.00 0.00 N ATOM 584 CA ARG A 36 2.121 0.037 8.401 1.00 0.00 C ATOM 585 C ARG A 36 3.402 -0.548 7.845 1.00 0.00 C ATOM 586 O ARG A 36 4.381 -0.763 8.560 1.00 0.00 O ATOM 587 CB ARG A 36 1.954 1.458 7.850 1.00 0.00 C ATOM 588 CG ARG A 36 2.493 2.543 8.771 1.00 0.00 C ATOM 589 CD ARG A 36 1.376 3.277 9.492 1.00 0.00 C ATOM 590 NE ARG A 36 1.209 4.641 8.998 1.00 0.00 N ATOM 591 CZ ARG A 36 1.966 5.667 9.380 1.00 0.00 C ATOM 592 NH1 ARG A 36 2.948 5.487 10.254 1.00 0.00 N ATOM 593 NH2 ARG A 36 1.743 6.875 8.883 1.00 0.00 N ATOM 0 H ARG A 36 2.969 -0.218 10.307 1.00 0.00 H new ATOM 0 HA ARG A 36 1.287 -0.589 8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.462 1.526 6.888 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.896 1.644 7.666 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.166 2.097 9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.080 3.255 8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.442 2.729 9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.589 3.302 10.561 1.00 0.00 H new ATOM 0 HE ARG A 36 0.468 4.818 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.126 4.559 10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.525 6.277 10.543 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.992 7.018 8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.323 7.662 9.175 1.00 0.00 H new ATOM 607 N GLY A 37 3.383 -0.757 6.536 1.00 0.00 N ATOM 608 CA GLY A 37 4.539 -1.266 5.840 1.00 0.00 C ATOM 609 C GLY A 37 5.193 -0.166 5.025 1.00 0.00 C ATOM 610 O GLY A 37 4.548 0.829 4.698 1.00 0.00 O ATOM 0 H GLY A 37 2.574 -0.579 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.254 -1.670 6.557 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.245 -2.087 5.185 1.00 0.00 H new ATOM 614 N PHE A 38 6.467 -0.327 4.707 1.00 0.00 N ATOM 615 CA PHE A 38 7.196 0.675 3.938 1.00 0.00 C ATOM 616 C PHE A 38 8.002 0.001 2.843 1.00 0.00 C ATOM 617 O PHE A 38 8.951 -0.728 3.126 1.00 0.00 O ATOM 618 CB PHE A 38 8.126 1.452 4.870 1.00 0.00 C ATOM 619 CG PHE A 38 7.966 2.948 4.814 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.118 3.641 3.620 1.00 0.00 C ATOM 621 CD2 PHE A 38 7.678 3.667 5.967 1.00 0.00 C ATOM 622 CE1 PHE A 38 7.984 5.016 3.581 1.00 0.00 C ATOM 623 CE2 PHE A 38 7.541 5.041 5.929 1.00 0.00 C ATOM 624 CZ PHE A 38 7.695 5.716 4.736 1.00 0.00 C ATOM 0 H PHE A 38 7.021 -1.143 4.969 1.00 0.00 H new ATOM 0 HA PHE A 38 6.488 1.365 3.478 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.953 1.120 5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.158 1.201 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.343 3.100 2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.560 3.145 6.905 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.105 5.544 2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.313 5.586 6.833 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.590 6.790 4.705 1.00 0.00 H new ATOM 634 N ILE A 39 7.634 0.246 1.594 1.00 0.00 N ATOM 635 CA ILE A 39 8.356 -0.355 0.476 1.00 0.00 C ATOM 636 C ILE A 39 8.785 0.718 -0.523 1.00 0.00 C ATOM 637 O ILE A 39 7.953 1.260 -1.251 1.00 0.00 O ATOM 638 CB ILE A 39 7.522 -1.429 -0.264 1.00 0.00 C ATOM 639 CG1 ILE A 39 6.708 -2.284 0.727 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.442 -2.307 -1.102 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.266 -3.628 0.175 1.00 0.00 C ATOM 0 H ILE A 39 6.853 0.846 1.329 1.00 0.00 H new ATOM 0 HA ILE A 39 9.232 -0.844 0.902 1.00 0.00 H new ATOM 0 HB ILE A 39 6.814 -0.925 -0.922 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.307 -2.451 1.622 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.826 -1.722 1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.851 -3.062 -1.621 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.967 -1.691 -1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.167 -2.797 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.700 -4.165 0.936 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.638 -3.472 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.142 -4.212 -0.105 1.00 0.00 H new ATOM 704 N SER A 44 10.994 6.952 -5.253 1.00 0.00 N ATOM 705 CA SER A 44 9.573 6.926 -4.920 1.00 0.00 C ATOM 706 C SER A 44 9.361 6.087 -3.656 1.00 0.00 C ATOM 707 O SER A 44 10.330 5.744 -2.978 1.00 0.00 O ATOM 708 CB SER A 44 8.770 6.370 -6.105 1.00 0.00 C ATOM 709 OG SER A 44 8.151 5.133 -5.791 1.00 0.00 O ATOM 0 HA SER A 44 9.219 7.938 -4.722 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.009 7.093 -6.398 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.431 6.238 -6.961 1.00 0.00 H new ATOM 0 HG SER A 44 8.684 4.398 -6.160 1.00 0.00 H new ATOM 715 N ASN A 45 8.111 5.758 -3.323 1.00 0.00 N ATOM 716 CA ASN A 45 7.849 4.966 -2.125 1.00 0.00 C ATOM 717 C ASN A 45 6.412 4.456 -2.098 1.00 0.00 C ATOM 718 O ASN A 45 5.561 4.933 -2.848 1.00 0.00 O ATOM 719 CB ASN A 45 8.118 5.807 -0.873 1.00 0.00 C ATOM 720 CG ASN A 45 9.431 5.455 -0.205 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.526 4.463 0.517 1.00 0.00 O ATOM 722 ND2 ASN A 45 10.453 6.268 -0.442 1.00 0.00 N ATOM 0 H ASN A 45 7.282 6.022 -3.855 1.00 0.00 H new ATOM 0 HA ASN A 45 8.517 4.105 -2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.124 6.863 -1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.304 5.665 -0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.362 6.081 -0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.329 7.079 -1.047 1.00 0.00 H new ATOM 729 N CYS A 46 6.138 3.502 -1.207 1.00 0.00 N ATOM 730 CA CYS A 46 4.796 2.964 -1.070 1.00 0.00 C ATOM 731 C CYS A 46 4.603 2.372 0.322 1.00 0.00 C ATOM 732 O CYS A 46 5.058 1.266 0.612 1.00 0.00 O ATOM 733 CB CYS A 46 4.523 1.907 -2.139 1.00 0.00 C ATOM 734 SG CYS A 46 2.792 1.808 -2.649 1.00 0.00 S ATOM 0 H CYS A 46 6.827 3.092 -0.576 1.00 0.00 H new ATOM 0 HA CYS A 46 4.085 3.779 -1.207 1.00 0.00 H new ATOM 0 HB2 CYS A 46 5.137 2.122 -3.013 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.836 0.934 -1.761 1.00 0.00 H new ATOM 0 HG CYS A 46 2.689 1.029 -3.685 1.00 0.00 H new ATOM 740 N GLU A 47 3.919 3.124 1.177 1.00 0.00 N ATOM 741 CA GLU A 47 3.647 2.699 2.542 1.00 0.00 C ATOM 742 C GLU A 47 2.270 2.039 2.596 1.00 0.00 C ATOM 743 O GLU A 47 1.416 2.325 1.755 1.00 0.00 O ATOM 744 CB GLU A 47 3.714 3.921 3.464 1.00 0.00 C ATOM 745 CG GLU A 47 4.202 3.639 4.880 1.00 0.00 C ATOM 746 CD GLU A 47 4.605 4.905 5.612 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.920 5.906 4.936 1.00 0.00 O ATOM 748 OE2 GLU A 47 4.604 4.894 6.860 1.00 0.00 O ATOM 0 H GLU A 47 3.539 4.041 0.943 1.00 0.00 H new ATOM 0 HA GLU A 47 4.388 1.972 2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.372 4.662 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.722 4.368 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.415 3.133 5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.052 2.958 4.840 1.00 0.00 H new ATOM 755 N LEU A 48 2.046 1.151 3.560 1.00 0.00 N ATOM 756 CA LEU A 48 0.750 0.471 3.655 1.00 0.00 C ATOM 757 C LEU A 48 0.239 0.454 5.090 1.00 0.00 C ATOM 758 O LEU A 48 0.854 -0.146 5.970 1.00 0.00 O ATOM 759 CB LEU A 48 0.849 -0.968 3.094 1.00 0.00 C ATOM 760 CG LEU A 48 -0.476 -1.732 2.882 1.00 0.00 C ATOM 761 CD1 LEU A 48 -1.669 -0.793 2.749 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.376 -2.626 1.653 1.00 0.00 C ATOM 0 H LEU A 48 2.725 0.887 4.274 1.00 0.00 H new ATOM 0 HA LEU A 48 0.034 1.030 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.371 -0.923 2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.472 -1.553 3.770 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.641 -2.345 3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.577 -1.377 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.765 -0.196 3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.519 -0.133 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.316 -3.160 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.172 -2.015 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.432 -3.345 1.791 1.00 0.00 H new ATOM 774 N LEU A 49 -0.907 1.096 5.313 1.00 0.00 N ATOM 775 CA LEU A 49 -1.517 1.132 6.645 1.00 0.00 C ATOM 776 C LEU A 49 -2.540 0.020 6.735 1.00 0.00 C ATOM 777 O LEU A 49 -3.385 -0.117 5.855 1.00 0.00 O ATOM 778 CB LEU A 49 -2.165 2.493 6.935 1.00 0.00 C ATOM 779 CG LEU A 49 -2.228 2.907 8.414 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.958 4.395 8.556 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.586 2.557 8.999 1.00 0.00 C ATOM 0 H LEU A 49 -1.431 1.596 4.594 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.741 0.987 7.397 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.616 3.259 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.180 2.482 6.538 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.461 2.362 8.964 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.006 4.675 9.608 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.967 4.624 8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.707 4.956 7.997 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.618 2.855 10.047 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.366 3.083 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.749 1.482 8.922 1.00 0.00 H new ATOM 793 N ALA A 50 -2.438 -0.810 7.764 1.00 0.00 N ATOM 794 CA ALA A 50 -3.346 -1.935 7.886 1.00 0.00 C ATOM 795 C ALA A 50 -3.729 -2.263 9.323 1.00 0.00 C ATOM 796 O ALA A 50 -2.903 -2.715 10.114 1.00 0.00 O ATOM 797 CB ALA A 50 -2.717 -3.143 7.215 1.00 0.00 C ATOM 0 H ALA A 50 -1.749 -0.727 8.511 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.277 -1.657 7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.389 -3.997 7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.540 -2.923 6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.770 -3.377 7.701 1.00 0.00 H new ATOM 803 N HIS A 51 -5.009 -2.077 9.631 1.00 0.00 N ATOM 804 CA HIS A 51 -5.544 -2.390 10.932 1.00 0.00 C ATOM 805 C HIS A 51 -6.515 -3.571 10.782 1.00 0.00 C ATOM 806 O HIS A 51 -6.913 -3.916 9.672 1.00 0.00 O ATOM 807 CB HIS A 51 -6.230 -1.158 11.544 1.00 0.00 C ATOM 808 CG HIS A 51 -5.948 -0.974 13.004 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.858 -0.425 13.884 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.852 -1.278 13.743 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.335 -0.395 15.097 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.120 -0.907 15.039 1.00 0.00 N ATOM 0 H HIS A 51 -5.698 -1.704 8.977 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.743 -2.673 11.615 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.906 -0.268 11.005 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.307 -1.243 11.399 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.939 -1.728 13.381 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.819 -0.016 15.985 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.483 -1.011 15.829 1.00 0.00 H new ATOM 821 N PRO A 52 -6.887 -4.217 11.890 1.00 0.00 N ATOM 822 CA PRO A 52 -7.785 -5.381 11.886 1.00 0.00 C ATOM 823 C PRO A 52 -9.050 -5.204 11.044 1.00 0.00 C ATOM 824 O PRO A 52 -9.691 -6.192 10.687 1.00 0.00 O ATOM 825 CB PRO A 52 -8.146 -5.538 13.362 1.00 0.00 C ATOM 826 CG PRO A 52 -6.957 -5.007 14.081 1.00 0.00 C ATOM 827 CD PRO A 52 -6.443 -3.873 13.239 1.00 0.00 C ATOM 0 HA PRO A 52 -7.299 -6.246 11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.047 -4.979 13.614 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.335 -6.581 13.618 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.225 -4.662 15.080 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.197 -5.779 14.204 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.851 -2.916 13.563 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.357 -3.792 13.295 1.00 0.00 H new ATOM 835 N ASP A 53 -9.428 -3.963 10.736 1.00 0.00 N ATOM 836 CA ASP A 53 -10.638 -3.741 9.950 1.00 0.00 C ATOM 837 C ASP A 53 -10.500 -2.627 8.914 1.00 0.00 C ATOM 838 O ASP A 53 -11.457 -2.345 8.193 1.00 0.00 O ATOM 839 CB ASP A 53 -11.820 -3.446 10.874 1.00 0.00 C ATOM 840 CG ASP A 53 -13.155 -3.723 10.211 1.00 0.00 C ATOM 841 OD1 ASP A 53 -13.199 -4.568 9.291 1.00 0.00 O ATOM 842 OD2 ASP A 53 -14.158 -3.095 10.611 1.00 0.00 O ATOM 0 H ASP A 53 -8.928 -3.117 11.011 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.813 -4.662 9.394 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.733 -4.052 11.776 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.782 -2.402 11.186 1.00 0.00 H new ATOM 847 N HIS A 54 -9.329 -2.012 8.799 1.00 0.00 N ATOM 848 CA HIS A 54 -9.155 -0.968 7.791 1.00 0.00 C ATOM 849 C HIS A 54 -7.737 -0.952 7.225 1.00 0.00 C ATOM 850 O HIS A 54 -6.802 -1.435 7.862 1.00 0.00 O ATOM 851 CB HIS A 54 -9.534 0.409 8.340 1.00 0.00 C ATOM 852 CG HIS A 54 -8.746 0.833 9.540 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.591 1.579 9.453 1.00 0.00 N ATOM 854 CD2 HIS A 54 -8.962 0.631 10.861 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.130 1.819 10.668 1.00 0.00 C ATOM 856 NE2 HIS A 54 -7.945 1.255 11.542 1.00 0.00 N ATOM 0 H HIS A 54 -8.507 -2.208 9.371 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.834 -1.205 6.972 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.401 1.150 7.552 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.593 0.405 8.598 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.782 0.081 11.299 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.239 2.381 10.906 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -7.837 1.279 12.556 1.00 0.00 H new ATOM 865 N VAL A 55 -7.582 -0.401 6.016 1.00 0.00 N ATOM 866 CA VAL A 55 -6.284 -0.337 5.368 1.00 0.00 C ATOM 867 C VAL A 55 -6.124 0.973 4.597 1.00 0.00 C ATOM 868 O VAL A 55 -7.049 1.429 3.924 1.00 0.00 O ATOM 869 CB VAL A 55 -6.079 -1.540 4.417 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.611 -1.253 3.019 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.614 -1.948 4.363 1.00 0.00 C ATOM 0 H VAL A 55 -8.344 0.005 5.473 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.523 -0.378 6.148 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.653 -2.373 4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.448 -2.122 2.382 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.678 -1.038 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.088 -0.393 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.497 -2.796 3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.016 -1.111 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.278 -2.230 5.361 1.00 0.00 H new ATOM 881 N LEU A 56 -4.944 1.564 4.699 1.00 0.00 N ATOM 882 CA LEU A 56 -4.645 2.817 4.010 1.00 0.00 C ATOM 883 C LEU A 56 -3.453 2.627 3.081 1.00 0.00 C ATOM 884 O LEU A 56 -2.542 1.855 3.378 1.00 0.00 O ATOM 885 CB LEU A 56 -4.347 3.933 5.030 1.00 0.00 C ATOM 886 CG LEU A 56 -5.351 5.092 5.093 1.00 0.00 C ATOM 887 CD1 LEU A 56 -4.970 6.056 6.208 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.428 5.833 3.764 1.00 0.00 C ATOM 0 H LEU A 56 -4.172 1.196 5.255 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.514 3.108 3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.285 3.482 6.020 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.364 4.346 4.806 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.335 4.672 5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.689 6.874 6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.973 5.529 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.974 6.456 6.018 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.148 6.648 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.447 6.238 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.744 5.144 2.981 1.00 0.00 H new ATOM 900 N MET A 57 -3.467 3.325 1.954 1.00 0.00 N ATOM 901 CA MET A 57 -2.385 3.217 0.984 1.00 0.00 C ATOM 902 C MET A 57 -1.856 4.601 0.603 1.00 0.00 C ATOM 903 O MET A 57 -2.568 5.397 -0.008 1.00 0.00 O ATOM 904 CB MET A 57 -2.882 2.465 -0.254 1.00 0.00 C ATOM 905 CG MET A 57 -3.811 1.306 0.083 1.00 0.00 C ATOM 906 SD MET A 57 -4.447 0.477 -1.387 1.00 0.00 S ATOM 907 CE MET A 57 -6.211 0.677 -1.153 1.00 0.00 C ATOM 0 H MET A 57 -4.212 3.970 1.689 1.00 0.00 H new ATOM 0 HA MET A 57 -1.562 2.660 1.431 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.404 3.162 -0.910 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.024 2.086 -0.810 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.276 0.584 0.700 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.647 1.676 0.677 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.738 0.326 -2.041 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.531 0.096 -0.288 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.439 1.730 -0.988 1.00 0.00 H new ATOM 917 N ILE A 58 -0.600 4.884 0.967 1.00 0.00 N ATOM 918 CA ILE A 58 0.010 6.167 0.658 1.00 0.00 C ATOM 919 C ILE A 58 1.287 5.974 -0.154 1.00 0.00 C ATOM 920 O ILE A 58 2.083 5.079 0.131 1.00 0.00 O ATOM 921 CB ILE A 58 0.356 6.951 1.942 1.00 0.00 C ATOM 922 CG1 ILE A 58 -0.880 7.090 2.850 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.929 8.312 1.580 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.178 8.514 3.287 1.00 0.00 C ATOM 0 H ILE A 58 0.006 4.239 1.474 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.717 6.735 0.078 1.00 0.00 H new ATOM 0 HB ILE A 58 1.111 6.396 2.500 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.749 6.694 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.736 6.473 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.171 8.859 2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.833 8.180 0.986 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.195 8.874 1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.063 8.522 3.923 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.328 8.909 3.843 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.357 9.134 2.409 1.00 0.00 H new ATOM 936 N LEU A 59 1.482 6.816 -1.164 1.00 0.00 N ATOM 937 CA LEU A 59 2.669 6.724 -2.004 1.00 0.00 C ATOM 938 C LEU A 59 3.453 8.028 -2.011 1.00 0.00 C ATOM 939 O LEU A 59 2.877 9.111 -1.995 1.00 0.00 O ATOM 940 CB LEU A 59 2.289 6.328 -3.443 1.00 0.00 C ATOM 941 CG LEU A 59 1.754 7.446 -4.352 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.521 8.073 -3.744 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.810 8.508 -4.631 1.00 0.00 C ATOM 0 H LEU A 59 0.838 7.565 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 59 3.307 5.949 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.168 5.895 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.535 5.543 -3.391 1.00 0.00 H new ATOM 0 HG LEU A 59 1.489 6.993 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.154 8.863 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.251 7.314 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.770 8.495 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.389 9.279 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.131 8.958 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.666 8.049 -5.125 1.00 0.00 H new ATOM 955 N ASN A 60 4.772 7.912 -2.084 1.00 0.00 N ATOM 956 CA ASN A 60 5.638 9.082 -2.157 1.00 0.00 C ATOM 957 C ASN A 60 6.444 8.994 -3.441 1.00 0.00 C ATOM 958 O ASN A 60 7.386 8.208 -3.537 1.00 0.00 O ATOM 959 CB ASN A 60 6.576 9.164 -0.947 1.00 0.00 C ATOM 960 CG ASN A 60 6.666 10.566 -0.374 1.00 0.00 C ATOM 961 OD1 ASN A 60 6.747 10.747 0.841 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.654 11.567 -1.247 1.00 0.00 N ATOM 0 H ASN A 60 5.266 7.020 -2.094 1.00 0.00 H new ATOM 0 HA ASN A 60 5.026 9.984 -2.150 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.226 8.481 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.571 8.830 -1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.713 12.531 -0.919 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.586 11.372 -2.246 1.00 0.00 H new ATOM 969 N SER A 61 6.050 9.768 -4.443 1.00 0.00 N ATOM 970 CA SER A 61 6.743 9.714 -5.734 1.00 0.00 C ATOM 971 C SER A 61 6.847 11.077 -6.421 1.00 0.00 C ATOM 972 O SER A 61 5.879 11.834 -6.483 1.00 0.00 O ATOM 973 CB SER A 61 6.022 8.742 -6.668 1.00 0.00 C ATOM 974 OG SER A 61 5.269 7.794 -5.934 1.00 0.00 O ATOM 0 H SER A 61 5.274 10.428 -4.396 1.00 0.00 H new ATOM 0 HA SER A 61 7.758 9.376 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.363 9.296 -7.336 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.750 8.227 -7.294 1.00 0.00 H new ATOM 0 HG SER A 61 5.219 6.955 -6.438 1.00 0.00 H new ATOM 980 N PRO A 62 8.042 11.389 -6.958 1.00 0.00 N ATOM 981 CA PRO A 62 8.312 12.651 -7.665 1.00 0.00 C ATOM 982 C PRO A 62 7.584 12.778 -8.999 1.00 0.00 C ATOM 983 O PRO A 62 7.627 13.834 -9.628 1.00 0.00 O ATOM 984 CB PRO A 62 9.817 12.597 -7.894 1.00 0.00 C ATOM 985 CG PRO A 62 10.140 11.147 -7.929 1.00 0.00 C ATOM 986 CD PRO A 62 9.237 10.526 -6.913 1.00 0.00 C ATOM 0 HA PRO A 62 7.966 13.509 -7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.094 13.087 -8.827 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.358 13.104 -7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.967 10.728 -8.920 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.188 10.970 -7.687 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.998 9.493 -7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.691 10.517 -5.922 1.00 0.00 H new ATOM 994 N ASP A 63 6.919 11.714 -9.439 1.00 0.00 N ATOM 995 CA ASP A 63 6.201 11.759 -10.704 1.00 0.00 C ATOM 996 C ASP A 63 4.901 10.963 -10.614 1.00 0.00 C ATOM 997 O ASP A 63 4.841 9.955 -9.913 1.00 0.00 O ATOM 998 CB ASP A 63 7.074 11.203 -11.831 1.00 0.00 C ATOM 999 CG ASP A 63 7.523 9.779 -11.564 1.00 0.00 C ATOM 1000 OD1 ASP A 63 8.090 9.530 -10.479 1.00 0.00 O ATOM 1001 OD2 ASP A 63 7.309 8.916 -12.440 1.00 0.00 O ATOM 0 H ASP A 63 6.863 10.823 -8.945 1.00 0.00 H new ATOM 0 HA ASP A 63 5.959 12.799 -10.922 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.518 11.236 -12.768 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.950 11.840 -11.957 1.00 0.00 H new ATOM 1006 N GLU A 64 3.857 11.407 -11.319 1.00 0.00 N ATOM 1007 CA GLU A 64 2.575 10.680 -11.272 1.00 0.00 C ATOM 1008 C GLU A 64 2.747 9.239 -11.748 1.00 0.00 C ATOM 1009 O GLU A 64 2.222 8.321 -11.121 1.00 0.00 O ATOM 1010 CB GLU A 64 1.460 11.374 -12.066 1.00 0.00 C ATOM 1011 CG GLU A 64 0.656 12.343 -11.215 1.00 0.00 C ATOM 1012 CD GLU A 64 1.246 13.739 -11.206 1.00 0.00 C ATOM 1013 OE1 GLU A 64 2.022 14.063 -12.127 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.929 14.511 -10.275 1.00 0.00 O ATOM 0 H GLU A 64 3.865 12.237 -11.912 1.00 0.00 H new ATOM 0 HA GLU A 64 2.265 10.678 -10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.898 11.911 -12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.792 10.620 -12.482 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.367 12.387 -11.589 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.605 11.967 -10.193 1.00 0.00 H new ATOM 1021 N ASP A 65 3.497 9.022 -12.835 1.00 0.00 N ATOM 1022 CA ASP A 65 3.728 7.664 -13.325 1.00 0.00 C ATOM 1023 C ASP A 65 4.132 6.779 -12.158 1.00 0.00 C ATOM 1024 O ASP A 65 3.495 5.766 -11.872 1.00 0.00 O ATOM 1025 CB ASP A 65 4.834 7.668 -14.372 1.00 0.00 C ATOM 1026 CG ASP A 65 4.956 6.342 -15.095 1.00 0.00 C ATOM 1027 OD1 ASP A 65 5.663 5.448 -14.582 1.00 0.00 O ATOM 1028 OD2 ASP A 65 4.346 6.196 -16.175 1.00 0.00 O ATOM 0 H ASP A 65 3.946 9.757 -13.382 1.00 0.00 H new ATOM 0 HA ASP A 65 2.814 7.282 -13.780 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.639 8.457 -15.098 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.783 7.904 -13.892 1.00 0.00 H new ATOM 1033 N SER A 66 5.169 7.216 -11.449 1.00 0.00 N ATOM 1034 CA SER A 66 5.635 6.511 -10.261 1.00 0.00 C ATOM 1035 C SER A 66 4.505 6.493 -9.237 1.00 0.00 C ATOM 1036 O SER A 66 4.055 5.443 -8.785 1.00 0.00 O ATOM 1037 CB SER A 66 6.859 7.212 -9.669 1.00 0.00 C ATOM 1038 OG SER A 66 7.375 6.491 -8.563 1.00 0.00 O ATOM 0 H SER A 66 5.702 8.055 -11.677 1.00 0.00 H new ATOM 0 HA SER A 66 5.920 5.493 -10.528 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.630 7.312 -10.433 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.588 8.220 -9.355 1.00 0.00 H new ATOM 0 HG SER A 66 8.236 6.091 -8.806 1.00 0.00 H new ATOM 1044 N LEU A 67 4.052 7.695 -8.910 1.00 0.00 N ATOM 1045 CA LEU A 67 2.960 7.927 -7.967 1.00 0.00 C ATOM 1046 C LEU A 67 1.836 6.907 -8.142 1.00 0.00 C ATOM 1047 O LEU A 67 1.519 6.163 -7.216 1.00 0.00 O ATOM 1048 CB LEU A 67 2.458 9.370 -8.186 1.00 0.00 C ATOM 1049 CG LEU A 67 1.123 9.782 -7.552 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.888 11.266 -7.767 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.049 8.987 -8.112 1.00 0.00 C ATOM 0 H LEU A 67 4.439 8.555 -9.299 1.00 0.00 H new ATOM 0 HA LEU A 67 3.316 7.804 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.226 10.049 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.380 9.535 -9.261 1.00 0.00 H new ATOM 0 HG LEU A 67 1.186 9.566 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.061 11.553 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.696 11.833 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.860 11.479 -8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.972 9.314 -7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.120 9.152 -9.187 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.105 7.926 -7.917 1.00 0.00 H new ATOM 1063 N ALA A 68 1.234 6.868 -9.322 1.00 0.00 N ATOM 1064 CA ALA A 68 0.150 5.932 -9.578 1.00 0.00 C ATOM 1065 C ALA A 68 0.668 4.501 -9.559 1.00 0.00 C ATOM 1066 O ALA A 68 -0.009 3.592 -9.080 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.520 6.243 -10.907 1.00 0.00 C ATOM 0 H ALA A 68 1.475 7.468 -10.111 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.593 6.038 -8.788 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.328 5.533 -11.082 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.925 7.255 -10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.212 6.165 -11.711 1.00 0.00 H new ATOM 1073 N HIS A 69 1.881 4.309 -10.069 1.00 0.00 N ATOM 1074 CA HIS A 69 2.492 2.986 -10.092 1.00 0.00 C ATOM 1075 C HIS A 69 2.499 2.391 -8.690 1.00 0.00 C ATOM 1076 O HIS A 69 2.291 1.193 -8.509 1.00 0.00 O ATOM 1077 CB HIS A 69 3.921 3.066 -10.635 1.00 0.00 C ATOM 1078 CG HIS A 69 4.546 1.726 -10.869 1.00 0.00 C ATOM 1079 ND1 HIS A 69 3.915 0.537 -10.569 1.00 0.00 N ATOM 1080 CD2 HIS A 69 5.754 1.388 -11.380 1.00 0.00 C ATOM 1081 CE1 HIS A 69 4.707 -0.473 -10.884 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.829 0.017 -11.378 1.00 0.00 N ATOM 0 H HIS A 69 2.457 5.049 -10.470 1.00 0.00 H new ATOM 0 HA HIS A 69 1.906 2.343 -10.749 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.915 3.624 -11.571 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.537 3.628 -9.933 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.982 0.451 -10.166 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.517 2.070 -11.725 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.476 -1.520 -10.759 1.00 0.00 H new ATOM 1091 N MET A 70 2.741 3.247 -7.703 1.00 0.00 N ATOM 1092 CA MET A 70 2.780 2.821 -6.306 1.00 0.00 C ATOM 1093 C MET A 70 1.370 2.663 -5.725 1.00 0.00 C ATOM 1094 O MET A 70 1.014 1.585 -5.246 1.00 0.00 O ATOM 1095 CB MET A 70 3.588 3.827 -5.482 1.00 0.00 C ATOM 1096 CG MET A 70 4.966 4.102 -6.052 1.00 0.00 C ATOM 1097 SD MET A 70 5.927 2.597 -6.310 1.00 0.00 S ATOM 1098 CE MET A 70 6.688 2.948 -7.893 1.00 0.00 C ATOM 0 H MET A 70 2.914 4.242 -7.844 1.00 0.00 H new ATOM 0 HA MET A 70 3.263 1.845 -6.261 1.00 0.00 H new ATOM 0 HB2 MET A 70 3.034 4.764 -5.421 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.692 3.452 -4.464 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.864 4.630 -7.000 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.509 4.763 -5.376 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.215 2.343 -8.666 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.562 4.004 -8.131 1.00 0.00 H new ATOM 0 HE3 MET A 70 7.751 2.711 -7.846 1.00 0.00 H new ATOM 1108 N GLN A 71 0.564 3.731 -5.756 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.796 3.665 -5.214 1.00 0.00 C ATOM 1110 C GLN A 71 -1.589 2.510 -5.826 1.00 0.00 C ATOM 1111 O GLN A 71 -2.492 1.967 -5.191 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.571 4.985 -5.392 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.262 5.762 -6.656 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.520 6.165 -7.405 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -3.201 7.118 -7.029 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -2.833 5.437 -8.470 1.00 0.00 N ATOM 0 H GLN A 71 0.825 4.637 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.683 3.488 -4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.638 4.764 -5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.364 5.625 -4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.692 6.655 -6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.632 5.157 -7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.239 4.655 -8.746 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.667 5.660 -9.013 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.252 2.135 -7.057 1.00 0.00 N ATOM 1126 CA ASN A 72 -1.945 1.042 -7.734 1.00 0.00 C ATOM 1127 C ASN A 72 -1.392 -0.315 -7.299 1.00 0.00 C ATOM 1128 O ASN A 72 -2.153 -1.249 -7.046 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.834 1.189 -9.251 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.062 0.670 -9.972 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.039 -0.410 -10.564 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -4.144 1.439 -9.927 1.00 0.00 N ATOM 0 H ASN A 72 -0.508 2.569 -7.604 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.996 1.092 -7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.685 2.239 -9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.954 0.650 -9.602 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.001 1.142 -10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.118 2.326 -9.425 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.064 -0.419 -7.213 1.00 0.00 N ATOM 1140 CA VAL A 73 0.588 -1.663 -6.807 1.00 0.00 C ATOM 1141 C VAL A 73 -0.114 -2.281 -5.599 1.00 0.00 C ATOM 1142 O VAL A 73 -0.397 -3.479 -5.579 1.00 0.00 O ATOM 1143 CB VAL A 73 2.084 -1.424 -6.483 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.645 -2.523 -5.591 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.892 -1.319 -7.766 1.00 0.00 C ATOM 0 H VAL A 73 0.580 0.345 -7.420 1.00 0.00 H new ATOM 0 HA VAL A 73 0.518 -2.359 -7.643 1.00 0.00 H new ATOM 0 HB VAL A 73 2.160 -0.483 -5.938 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.696 -2.323 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.090 -2.550 -4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.551 -3.485 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.941 -1.151 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.795 -2.244 -8.334 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.520 -0.486 -8.363 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.400 -1.455 -4.599 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.078 -1.926 -3.395 1.00 0.00 C ATOM 1157 C VAL A 74 -2.518 -2.325 -3.712 1.00 0.00 C ATOM 1158 O VAL A 74 -2.983 -3.382 -3.287 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.081 -0.858 -2.280 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -1.893 -1.324 -1.075 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.339 -0.504 -1.858 1.00 0.00 C ATOM 0 H VAL A 74 -0.175 -0.460 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.524 -2.794 -3.038 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.552 0.038 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.878 -0.552 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.922 -1.512 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.460 -2.242 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.308 0.250 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.841 -1.397 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.886 -0.112 -2.715 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.221 -1.480 -4.474 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.602 -1.766 -4.854 1.00 0.00 C ATOM 1173 C ALA A 75 -4.714 -3.175 -5.418 1.00 0.00 C ATOM 1174 O ALA A 75 -5.775 -3.798 -5.370 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.103 -0.749 -5.870 1.00 0.00 C ATOM 0 H ALA A 75 -2.856 -0.599 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.224 -1.695 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.133 -0.981 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.057 0.250 -5.437 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.478 -0.787 -6.762 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.601 -3.670 -5.949 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.553 -5.008 -6.522 1.00 0.00 C ATOM 1183 C ASP A 76 -3.454 -6.068 -5.426 1.00 0.00 C ATOM 1184 O ASP A 76 -4.075 -7.126 -5.517 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.363 -5.134 -7.475 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.685 -5.977 -8.693 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -3.024 -7.167 -8.519 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.597 -5.449 -9.822 1.00 0.00 O ATOM 0 H ASP A 76 -2.718 -3.162 -5.994 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.476 -5.171 -7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.052 -4.140 -7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.520 -5.576 -6.943 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.663 -5.779 -4.396 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.480 -6.717 -3.287 1.00 0.00 C ATOM 1195 C HIS A 77 -3.784 -6.945 -2.519 1.00 0.00 C ATOM 1196 O HIS A 77 -4.121 -8.082 -2.188 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.385 -6.230 -2.331 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.014 -6.227 -2.939 1.00 0.00 C ATOM 1199 ND1 HIS A 77 1.024 -5.456 -2.454 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.492 -6.911 -3.995 1.00 0.00 C ATOM 1201 CE1 HIS A 77 2.103 -5.664 -3.186 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.808 -6.542 -4.126 1.00 0.00 N ATOM 0 H HIS A 77 -2.140 -4.908 -4.304 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.171 -7.669 -3.720 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.628 -5.221 -1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.379 -6.865 -1.445 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.041 -7.615 -4.617 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.065 -5.195 -3.040 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.453 -6.890 -4.835 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.521 -5.869 -2.241 1.00 0.00 N ATOM 1212 CA LEU A 78 -5.781 -5.981 -1.520 1.00 0.00 C ATOM 1213 C LEU A 78 -6.750 -6.888 -2.278 1.00 0.00 C ATOM 1214 O LEU A 78 -7.642 -7.493 -1.686 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.407 -4.595 -1.310 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.696 -3.672 -0.306 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.613 -2.531 0.101 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.243 -4.448 0.925 1.00 0.00 C ATOM 0 H LEU A 78 -4.266 -4.917 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.580 -6.422 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.446 -4.087 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.437 -4.731 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.812 -3.260 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.097 -1.885 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.888 -1.953 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.513 -2.935 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.743 -3.771 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.110 -4.893 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.552 -5.235 0.625 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.565 -6.977 -3.593 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.423 -7.810 -4.433 1.00 0.00 C ATOM 1232 C GLN A 79 -7.152 -9.297 -4.212 1.00 0.00 C ATOM 1233 O GLN A 79 -8.081 -10.082 -4.024 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.221 -7.469 -5.912 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.214 -5.977 -6.202 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.240 -5.576 -7.245 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -8.910 -6.425 -7.833 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -8.367 -4.275 -7.480 1.00 0.00 N ATOM 0 H GLN A 79 -5.830 -6.484 -4.100 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.455 -7.602 -4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.278 -7.900 -6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.013 -7.939 -6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.409 -5.431 -5.279 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.222 -5.682 -6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.791 -3.606 -6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.041 -3.945 -8.171 1.00 0.00 H new ATOM 1247 N ARG A 80 -5.879 -9.680 -4.239 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.498 -11.076 -4.043 1.00 0.00 C ATOM 1249 C ARG A 80 -6.024 -11.590 -2.716 1.00 0.00 C ATOM 1250 O ARG A 80 -6.444 -12.741 -2.598 1.00 0.00 O ATOM 1251 CB ARG A 80 -3.976 -11.225 -4.084 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.374 -10.861 -5.426 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.591 -12.017 -6.029 1.00 0.00 C ATOM 1254 NE ARG A 80 -3.413 -13.218 -6.181 1.00 0.00 N ATOM 1255 CZ ARG A 80 -3.393 -14.251 -5.338 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -2.605 -14.240 -4.270 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -4.171 -15.301 -5.565 1.00 0.00 N ATOM 0 H ARG A 80 -5.095 -9.046 -4.394 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.936 -11.664 -4.850 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.535 -10.594 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.712 -12.255 -3.842 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.168 -10.564 -6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.716 -10.000 -5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.199 -11.721 -7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.733 -12.243 -5.396 1.00 0.00 H new ATOM 0 HE ARG A 80 -4.041 -13.268 -6.983 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.006 -13.435 -4.087 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.599 -15.036 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.782 -15.316 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -4.159 -16.093 -4.923 1.00 0.00 H new ATOM 1271 N MET A 81 -5.989 -10.722 -1.720 1.00 0.00 N ATOM 1272 CA MET A 81 -6.457 -11.075 -0.383 1.00 0.00 C ATOM 1273 C MET A 81 -7.977 -10.960 -0.267 1.00 0.00 C ATOM 1274 O MET A 81 -8.565 -11.411 0.715 1.00 0.00 O ATOM 1275 CB MET A 81 -5.773 -10.203 0.672 1.00 0.00 C ATOM 1276 CG MET A 81 -6.028 -8.706 0.536 1.00 0.00 C ATOM 1277 SD MET A 81 -7.662 -8.212 1.120 1.00 0.00 S ATOM 1278 CE MET A 81 -7.222 -6.981 2.344 1.00 0.00 C ATOM 0 H MET A 81 -5.642 -9.767 -1.808 1.00 0.00 H new ATOM 0 HA MET A 81 -6.191 -12.117 -0.206 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.106 -10.525 1.659 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.698 -10.379 0.625 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.268 -8.161 1.097 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.920 -8.418 -0.510 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.613 -7.279 3.317 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.137 -6.896 2.400 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.648 -6.018 2.061 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.348 -4.961 -5.771 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.057 -4.054 -4.651 1.00 0.00 C ATOM 1351 C LEU A 87 -11.669 -2.673 -4.817 1.00 0.00 C ATOM 1352 O LEU A 87 -11.160 -1.849 -5.575 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.548 -3.879 -4.448 1.00 0.00 C ATOM 1354 CG LEU A 87 -8.994 -4.354 -3.102 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.036 -3.216 -2.093 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -9.748 -5.564 -2.561 1.00 0.00 C ATOM 0 HA LEU A 87 -11.509 -4.532 -3.782 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.030 -4.416 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.305 -2.823 -4.566 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.961 -4.663 -3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.640 -3.562 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.432 -2.385 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.066 -2.885 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.318 -5.863 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.798 -5.306 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.668 -6.389 -3.269 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.721 -2.400 -4.065 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.326 -1.085 -4.112 1.00 0.00 C ATOM 1370 C GLU A 88 -12.383 -0.114 -3.419 1.00 0.00 C ATOM 1371 O GLU A 88 -12.358 -0.033 -2.191 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.684 -1.094 -3.410 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.423 0.232 -3.497 1.00 0.00 C ATOM 1374 CD GLU A 88 -16.902 0.056 -3.783 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -17.623 -0.443 -2.893 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -17.339 0.418 -4.895 1.00 0.00 O ATOM 0 H GLU A 88 -13.166 -3.059 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.489 -0.784 -5.147 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -15.305 -1.876 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.540 -1.352 -2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.300 0.775 -2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.975 0.843 -4.281 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.589 0.605 -4.204 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.630 1.541 -3.639 1.00 0.00 C ATOM 1385 C ILE A 89 -10.737 2.916 -4.295 1.00 0.00 C ATOM 1386 O ILE A 89 -10.681 3.027 -5.520 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.169 1.007 -3.765 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.610 1.161 -5.194 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.100 -0.448 -3.335 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -8.888 -0.021 -6.101 1.00 0.00 C ATOM 0 H ILE A 89 -11.591 0.558 -5.223 1.00 0.00 H new ATOM 0 HA ILE A 89 -10.873 1.642 -2.581 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.549 1.613 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.036 2.058 -5.644 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.532 1.314 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.075 -0.807 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.422 -0.536 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.753 -1.046 -3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.462 0.168 -7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.438 -0.919 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.965 -0.164 -6.193 1.00 0.00 H new ATOM 1402 N ALA A 90 -10.868 3.973 -3.491 1.00 0.00 N ATOM 1403 CA ALA A 90 -10.940 5.309 -4.056 1.00 0.00 C ATOM 1404 C ALA A 90 -9.573 5.965 -3.972 1.00 0.00 C ATOM 1405 O ALA A 90 -9.092 6.291 -2.887 1.00 0.00 O ATOM 1406 CB ALA A 90 -11.985 6.163 -3.345 1.00 0.00 C ATOM 0 H ALA A 90 -10.925 3.928 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.243 5.227 -5.100 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.011 7.156 -3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.965 5.695 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.727 6.249 -2.289 1.00 0.00 H new ATOM 1412 N TRP A 91 -8.952 6.148 -5.125 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.633 6.758 -5.191 1.00 0.00 C ATOM 1414 C TRP A 91 -7.736 8.258 -5.430 1.00 0.00 C ATOM 1415 O TRP A 91 -8.473 8.710 -6.306 1.00 0.00 O ATOM 1416 CB TRP A 91 -6.802 6.110 -6.298 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.403 6.267 -7.662 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.356 5.473 -8.234 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.093 7.281 -8.624 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.656 5.931 -9.494 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -7.895 7.040 -9.756 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -6.217 8.370 -8.639 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -7.844 7.848 -10.890 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -6.168 9.171 -9.764 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -6.977 8.906 -10.877 1.00 0.00 C ATOM 0 H TRP A 91 -9.340 5.883 -6.030 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.139 6.595 -4.233 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.804 6.548 -6.296 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.685 5.048 -6.080 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.807 4.611 -7.765 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.335 5.514 -10.131 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -5.589 8.582 -7.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -8.467 7.646 -11.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -5.495 10.015 -9.786 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -6.915 9.550 -11.742 1.00 0.00 H new ATOM 1436 N GLN A 92 -6.987 9.022 -4.647 1.00 0.00 N ATOM 1437 CA GLN A 92 -6.987 10.474 -4.775 1.00 0.00 C ATOM 1438 C GLN A 92 -5.927 10.921 -5.780 1.00 0.00 C ATOM 1439 O GLN A 92 -4.932 10.230 -5.996 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.728 11.128 -3.416 1.00 0.00 C ATOM 1441 CG GLN A 92 -7.835 10.883 -2.403 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.520 11.473 -1.043 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -6.355 11.629 -0.676 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.560 11.805 -0.286 1.00 0.00 N ATOM 0 H GLN A 92 -6.372 8.662 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 92 -7.967 10.787 -5.136 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.788 10.750 -3.013 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.606 12.202 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.765 11.313 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -7.998 9.810 -2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.509 11.658 -0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.410 12.207 0.639 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.135 12.087 -6.418 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.202 12.623 -7.413 1.00 0.00 C ATOM 1455 C PRO A 93 -3.753 12.591 -6.944 1.00 0.00 C ATOM 1456 O PRO A 93 -2.848 12.326 -7.734 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.659 14.066 -7.580 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.114 14.044 -7.259 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.303 12.968 -6.223 1.00 0.00 C ATOM 0 HA PRO A 93 -5.217 12.036 -8.331 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.116 14.733 -6.910 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.483 14.422 -8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.443 15.011 -6.879 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.705 13.834 -8.150 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.328 13.382 -5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.240 12.430 -6.370 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.545 12.881 -5.656 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.207 12.903 -5.057 1.00 0.00 C ATOM 1469 C ALA A 94 -1.657 14.323 -5.011 1.00 0.00 C ATOM 1470 O ALA A 94 -0.457 14.541 -5.173 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.235 11.992 -5.803 1.00 0.00 C ATOM 0 H ALA A 94 -4.295 13.106 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.307 12.527 -4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.255 12.038 -5.327 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.604 10.967 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.151 12.321 -6.839 1.00 0.00 H new