USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 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 30 LYS NZ :NH3+ -175:sc= 1.16 (180deg=0) USER MOD Set 1.2: B 5 C O3' : rot 167:sc= 2.32 USER MOD Set 2.1: A 7 ASN : amide:sc= -0.267 K(o=0.91,f=-1.4!) USER MOD Set 2.2: B 3 U O2' : rot -36:sc= 1.18 USER MOD Set 3.1: A 59 ASN : amide:sc= -1.11 K(o=-1.4,f=-6.9!) USER MOD Set 3.2: A 62 ASN : amide:sc= -0.33 K(o=-1.4,f=-4) USER MOD Set 4.1: A 47 SER OG : rot -101:sc= 0.37 USER MOD Set 4.2: A 49 HIS : no HD1:sc= -1.66 X(o=-1.3,f=-1.4) USER MOD Set 5.1: A 16 SER OG : rot 180:sc= -0.166 USER MOD Set 5.2: A 56 GLN : amide:sc= 0.96 K(o=0.79,f=-3.1!) USER MOD Single : A 3 SER OG : rot 180:sc=-0.00237 USER MOD Single : A 4 ASN : amide:sc= 0.77 K(o=0.77,f=-0.45) USER MOD Single : A 6 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -140:sc= -0.579 (180deg=-1.88) USER MOD Single : A 15 ASN : amide:sc= 0.127 X(o=0.13,f=-0.19) USER MOD Single : A 22 ASN : amide:sc= 0.952 K(o=0.95,f=-1.6) USER MOD Single : A 24 ASN : amide:sc= -0.433 X(o=-0.43,f=-0.61) USER MOD Single : A 25 THR OG1 : rot -8:sc= 0.894 USER MOD Single : A 29 LYS NZ :NH3+ -168:sc=-0.00623 (180deg=-0.189) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -86:sc= 0.0534 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 142:sc= -0.243 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -21:sc= -0.685 USER MOD Single : A 74 MET CE :methyl 171:sc= -1.09 (180deg=-1.1) USER MOD Single : A 78 GLN : amide:sc= -1.02 K(o=-1,f=-0.29) USER MOD Single : A 83 ASN : amide:sc= 0.0357! X(o=0.036!,f=-0.046) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc=-0.00813 K(o=-0.0081,f=-2.7!) USER MOD Single : A 94 LYS NZ :NH3+ 134:sc= 1.11 (180deg=0.783) USER MOD Single : A 98 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.2) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 164:sc= -0.0392 (180deg=-0.401) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -51:sc= 1.2 USER MOD Single : B 1 U O5' : rot -77:sc= 1.06 USER MOD Single : B 2 U O2' : rot 19:sc= 0.116 USER MOD Single : B 4 U O2' : rot 147:sc= 0.264 USER MOD Single : B 5 C O2' : rot -23:sc= 0.11 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.824 8.165 -5.533 1.00 0.00 N ATOM 2 CA ALA A 2 9.628 8.755 -4.906 1.00 0.00 C ATOM 3 C ALA A 2 9.986 9.439 -3.587 1.00 0.00 C ATOM 4 O ALA A 2 11.049 9.186 -3.024 1.00 0.00 O ATOM 5 CB ALA A 2 8.546 7.690 -4.701 1.00 0.00 C ATOM 0 HA ALA A 2 9.229 9.516 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.671 8.145 -4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.266 7.265 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.930 6.901 -4.055 1.00 0.00 H new ATOM 13 N SER A 3 9.095 10.304 -3.092 1.00 0.00 N ATOM 14 CA SER A 3 9.288 11.004 -1.829 1.00 0.00 C ATOM 15 C SER A 3 9.231 10.024 -0.657 1.00 0.00 C ATOM 16 O SER A 3 8.657 8.947 -0.773 1.00 0.00 O ATOM 17 CB SER A 3 8.218 12.084 -1.668 1.00 0.00 C ATOM 18 OG SER A 3 8.431 12.796 -0.468 1.00 0.00 O ATOM 0 H SER A 3 8.219 10.535 -3.561 1.00 0.00 H new ATOM 0 HA SER A 3 10.272 11.473 -1.835 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.248 12.767 -2.517 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.228 11.629 -1.660 1.00 0.00 H new ATOM 0 HG SER A 3 7.743 13.488 -0.371 1.00 0.00 H new ATOM 24 N ASN A 4 9.825 10.399 0.479 1.00 0.00 N ATOM 25 CA ASN A 4 9.835 9.576 1.681 1.00 0.00 C ATOM 26 C ASN A 4 8.565 9.783 2.511 1.00 0.00 C ATOM 27 O ASN A 4 8.419 9.171 3.566 1.00 0.00 O ATOM 28 CB ASN A 4 11.095 9.879 2.491 1.00 0.00 C ATOM 29 CG ASN A 4 11.145 11.338 2.933 1.00 0.00 C ATOM 30 OD1 ASN A 4 11.657 12.190 2.212 1.00 0.00 O ATOM 31 ND2 ASN A 4 10.617 11.640 4.112 1.00 0.00 N ATOM 0 H ASN A 4 10.314 11.288 0.586 1.00 0.00 H new ATOM 0 HA ASN A 4 9.849 8.525 1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.128 9.232 3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 4 11.976 9.650 1.892 1.00 0.00 H new ATOM 0 HD21 ASN A 4 10.629 12.604 4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.199 10.908 4.686 1.00 0.00 H new ATOM 38 N VAL A 5 7.654 10.641 2.040 1.00 0.00 N ATOM 39 CA VAL A 5 6.441 10.983 2.772 1.00 0.00 C ATOM 40 C VAL A 5 5.253 10.164 2.285 1.00 0.00 C ATOM 41 O VAL A 5 5.056 10.001 1.080 1.00 0.00 O ATOM 42 CB VAL A 5 6.188 12.490 2.671 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.903 12.885 3.396 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.356 13.249 3.307 1.00 0.00 C ATOM 0 H VAL A 5 7.741 11.115 1.141 1.00 0.00 H new ATOM 0 HA VAL A 5 6.575 10.732 3.824 1.00 0.00 H new ATOM 0 HB VAL A 5 6.092 12.744 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.751 13.961 3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.058 12.360 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.982 12.616 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.175 14.322 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.446 12.966 4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.279 13.001 2.784 1.00 0.00 H new ATOM 54 N THR A 6 4.457 9.653 3.232 1.00 0.00 N ATOM 55 CA THR A 6 3.265 8.858 2.946 1.00 0.00 C ATOM 56 C THR A 6 2.177 9.081 3.999 1.00 0.00 C ATOM 57 O THR A 6 1.145 8.418 3.961 1.00 0.00 O ATOM 58 CB THR A 6 3.608 7.360 2.888 1.00 0.00 C ATOM 59 OG1 THR A 6 4.177 6.941 4.109 1.00 0.00 O ATOM 60 CG2 THR A 6 4.600 7.043 1.776 1.00 0.00 C ATOM 0 H THR A 6 4.628 9.784 4.229 1.00 0.00 H new ATOM 0 HA THR A 6 2.889 9.184 1.976 1.00 0.00 H new ATOM 0 HB THR A 6 2.674 6.833 2.693 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.487 6.932 4.805 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.813 5.974 1.772 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.174 7.331 0.815 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.524 7.597 1.944 1.00 0.00 H new ATOM 68 N ASN A 7 2.377 10.003 4.948 1.00 0.00 N ATOM 69 CA ASN A 7 1.408 10.224 6.009 1.00 0.00 C ATOM 70 C ASN A 7 0.655 11.537 5.799 1.00 0.00 C ATOM 71 O ASN A 7 1.150 12.613 6.133 1.00 0.00 O ATOM 72 CB ASN A 7 2.127 10.168 7.357 1.00 0.00 C ATOM 73 CG ASN A 7 1.166 10.242 8.536 1.00 0.00 C ATOM 74 OD1 ASN A 7 -0.044 10.374 8.366 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.708 10.153 9.745 1.00 0.00 N ATOM 0 H ASN A 7 3.201 10.603 4.996 1.00 0.00 H new ATOM 0 HA ASN A 7 0.653 9.438 5.992 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.703 9.245 7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.838 10.992 7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.115 10.194 10.574 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.717 10.044 9.845 1.00 0.00 H new ATOM 82 N LYS A 8 -0.553 11.425 5.240 1.00 0.00 N ATOM 83 CA LYS A 8 -1.476 12.534 5.033 1.00 0.00 C ATOM 84 C LYS A 8 -2.895 12.034 5.289 1.00 0.00 C ATOM 85 O LYS A 8 -3.181 10.864 5.035 1.00 0.00 O ATOM 86 CB LYS A 8 -1.337 13.091 3.614 1.00 0.00 C ATOM 87 CG LYS A 8 0.037 13.743 3.430 1.00 0.00 C ATOM 88 CD LYS A 8 0.122 14.468 2.088 1.00 0.00 C ATOM 89 CE LYS A 8 0.025 13.485 0.922 1.00 0.00 C ATOM 90 NZ LYS A 8 0.114 14.194 -0.370 1.00 0.00 N ATOM 0 H LYS A 8 -0.922 10.533 4.911 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.246 13.345 5.724 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.467 12.289 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.122 13.823 3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.221 14.448 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.815 12.982 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.681 15.202 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.062 15.017 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.825 12.749 0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.917 12.939 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.046 13.507 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.664 14.880 -0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.023 14.695 -0.429 1.00 0.00 H new ATOM 104 N THR A 9 -3.779 12.899 5.785 1.00 0.00 N ATOM 105 CA THR A 9 -5.123 12.497 6.198 1.00 0.00 C ATOM 106 C THR A 9 -6.219 13.237 5.436 1.00 0.00 C ATOM 107 O THR A 9 -7.378 13.213 5.847 1.00 0.00 O ATOM 108 CB THR A 9 -5.284 12.673 7.710 1.00 0.00 C ATOM 109 OG1 THR A 9 -5.054 14.021 8.062 1.00 0.00 O ATOM 110 CG2 THR A 9 -4.291 11.790 8.463 1.00 0.00 C ATOM 0 H THR A 9 -3.585 13.892 5.911 1.00 0.00 H new ATOM 0 HA THR A 9 -5.239 11.442 5.949 1.00 0.00 H new ATOM 0 HB THR A 9 -6.299 12.384 7.981 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.160 14.129 9.030 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.421 11.929 9.536 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.468 10.745 8.209 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.274 12.065 8.182 1.00 0.00 H new ATOM 118 N ASP A 10 -5.868 13.896 4.327 1.00 0.00 N ATOM 119 CA ASP A 10 -6.847 14.593 3.505 1.00 0.00 C ATOM 120 C ASP A 10 -7.823 13.580 2.899 1.00 0.00 C ATOM 121 O ASP A 10 -7.451 12.426 2.678 1.00 0.00 O ATOM 122 CB ASP A 10 -6.129 15.399 2.425 1.00 0.00 C ATOM 123 CG ASP A 10 -5.174 16.419 3.035 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.648 17.531 3.360 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.976 16.079 3.169 1.00 0.00 O ATOM 0 H ASP A 10 -4.910 13.958 3.982 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.421 15.289 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.575 14.724 1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.863 15.912 1.803 1.00 0.00 H new ATOM 130 N PRO A 11 -9.066 13.993 2.617 1.00 0.00 N ATOM 131 CA PRO A 11 -10.133 13.116 2.158 1.00 0.00 C ATOM 132 C PRO A 11 -9.885 12.550 0.758 1.00 0.00 C ATOM 133 O PRO A 11 -10.728 11.819 0.239 1.00 0.00 O ATOM 134 CB PRO A 11 -11.398 13.974 2.203 1.00 0.00 C ATOM 135 CG PRO A 11 -10.865 15.387 1.982 1.00 0.00 C ATOM 136 CD PRO A 11 -9.547 15.356 2.745 1.00 0.00 C ATOM 0 HA PRO A 11 -10.209 12.233 2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.109 13.685 1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.914 13.882 3.159 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.718 15.606 0.924 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.544 16.144 2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.833 16.066 2.328 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.691 15.626 3.791 1.00 0.00 H new ATOM 144 N ARG A 12 -8.745 12.870 0.137 1.00 0.00 N ATOM 145 CA ARG A 12 -8.384 12.338 -1.174 1.00 0.00 C ATOM 146 C ARG A 12 -6.952 11.819 -1.172 1.00 0.00 C ATOM 147 O ARG A 12 -6.623 10.913 -1.934 1.00 0.00 O ATOM 148 CB ARG A 12 -8.571 13.445 -2.218 1.00 0.00 C ATOM 149 CG ARG A 12 -9.255 12.922 -3.482 1.00 0.00 C ATOM 150 CD ARG A 12 -8.417 11.881 -4.226 1.00 0.00 C ATOM 151 NE ARG A 12 -9.081 11.476 -5.473 1.00 0.00 N ATOM 152 CZ ARG A 12 -8.911 12.082 -6.652 1.00 0.00 C ATOM 153 NH1 ARG A 12 -8.095 13.125 -6.773 1.00 0.00 N ATOM 154 NH2 ARG A 12 -9.564 11.640 -7.724 1.00 0.00 N ATOM 0 H ARG A 12 -8.050 13.504 0.531 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.029 11.495 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.166 14.252 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.600 13.868 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.216 12.483 -3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.462 13.759 -4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.432 12.291 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.263 11.009 -3.590 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.715 10.678 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.588 13.473 -5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.976 13.577 -7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.192 10.841 -7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.436 12.101 -8.625 1.00 0.00 H new ATOM 168 N SER A 13 -6.096 12.385 -0.315 1.00 0.00 N ATOM 169 CA SER A 13 -4.697 11.987 -0.245 1.00 0.00 C ATOM 170 C SER A 13 -4.511 10.708 0.563 1.00 0.00 C ATOM 171 O SER A 13 -3.498 10.031 0.405 1.00 0.00 O ATOM 172 CB SER A 13 -3.862 13.117 0.355 1.00 0.00 C ATOM 173 OG SER A 13 -4.066 14.308 -0.374 1.00 0.00 O ATOM 0 H SER A 13 -6.355 13.123 0.340 1.00 0.00 H new ATOM 0 HA SER A 13 -4.358 11.785 -1.261 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.137 13.268 1.399 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.806 12.848 0.339 1.00 0.00 H new ATOM 0 HG SER A 13 -3.529 15.028 0.018 1.00 0.00 H new ATOM 179 N MET A 14 -5.466 10.356 1.432 1.00 0.00 N ATOM 180 CA MET A 14 -5.368 9.096 2.156 1.00 0.00 C ATOM 181 C MET A 14 -6.114 7.971 1.442 1.00 0.00 C ATOM 182 O MET A 14 -6.057 6.823 1.874 1.00 0.00 O ATOM 183 CB MET A 14 -5.787 9.272 3.613 1.00 0.00 C ATOM 184 CG MET A 14 -7.297 9.198 3.847 1.00 0.00 C ATOM 185 SD MET A 14 -7.751 9.185 5.604 1.00 0.00 S ATOM 186 CE MET A 14 -6.787 7.758 6.188 1.00 0.00 C ATOM 0 H MET A 14 -6.293 10.914 1.644 1.00 0.00 H new ATOM 0 HA MET A 14 -4.322 8.789 2.169 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.300 8.504 4.214 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.423 10.235 3.970 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.775 10.049 3.362 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.688 8.299 3.371 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.382 7.183 6.898 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.523 7.126 5.340 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.878 8.108 6.676 1.00 0.00 H new ATOM 196 N ASN A 15 -6.809 8.297 0.346 1.00 0.00 N ATOM 197 CA ASN A 15 -7.484 7.304 -0.477 1.00 0.00 C ATOM 198 C ASN A 15 -6.654 6.988 -1.722 1.00 0.00 C ATOM 199 O ASN A 15 -6.889 5.977 -2.375 1.00 0.00 O ATOM 200 CB ASN A 15 -8.887 7.795 -0.834 1.00 0.00 C ATOM 201 CG ASN A 15 -9.781 7.836 0.397 1.00 0.00 C ATOM 202 OD1 ASN A 15 -10.201 6.795 0.897 1.00 0.00 O ATOM 203 ND2 ASN A 15 -10.080 9.029 0.900 1.00 0.00 N ATOM 0 H ASN A 15 -6.915 9.255 0.011 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.587 6.376 0.085 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.826 8.789 -1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.326 7.138 -1.585 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.675 9.100 1.726 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.715 9.874 0.461 1.00 0.00 H new ATOM 210 N SER A 16 -5.684 7.844 -2.051 1.00 0.00 N ATOM 211 CA SER A 16 -4.705 7.576 -3.097 1.00 0.00 C ATOM 212 C SER A 16 -3.473 6.862 -2.537 1.00 0.00 C ATOM 213 O SER A 16 -2.499 6.658 -3.257 1.00 0.00 O ATOM 214 CB SER A 16 -4.335 8.882 -3.793 1.00 0.00 C ATOM 215 OG SER A 16 -3.809 9.796 -2.860 1.00 0.00 O ATOM 0 H SER A 16 -5.558 8.747 -1.594 1.00 0.00 H new ATOM 0 HA SER A 16 -5.146 6.904 -3.833 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.603 8.690 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.215 9.308 -4.275 1.00 0.00 H new ATOM 0 HG SER A 16 -3.573 10.630 -3.317 1.00 0.00 H new ATOM 221 N ARG A 17 -3.509 6.480 -1.258 1.00 0.00 N ATOM 222 CA ARG A 17 -2.431 5.754 -0.601 1.00 0.00 C ATOM 223 C ARG A 17 -2.802 4.282 -0.465 1.00 0.00 C ATOM 224 O ARG A 17 -3.982 3.936 -0.403 1.00 0.00 O ATOM 225 CB ARG A 17 -2.156 6.379 0.764 1.00 0.00 C ATOM 226 CG ARG A 17 -0.943 5.712 1.414 1.00 0.00 C ATOM 227 CD ARG A 17 -0.396 6.551 2.562 1.00 0.00 C ATOM 228 NE ARG A 17 -1.411 6.818 3.586 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.994 8.004 3.777 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.749 9.035 2.973 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.836 8.163 4.789 1.00 0.00 N ATOM 0 H ARG A 17 -4.301 6.671 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.524 5.819 -1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.977 7.448 0.653 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.030 6.267 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.223 4.725 1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.164 5.563 0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.449 6.034 3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.019 7.496 2.171 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.690 6.047 4.192 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.104 8.929 2.190 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.207 9.931 3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.034 7.382 5.415 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.285 9.066 4.942 1.00 0.00 H new ATOM 245 N VAL A 18 -1.789 3.416 -0.412 1.00 0.00 N ATOM 246 CA VAL A 18 -1.977 1.987 -0.252 1.00 0.00 C ATOM 247 C VAL A 18 -1.105 1.471 0.882 1.00 0.00 C ATOM 248 O VAL A 18 0.087 1.771 0.942 1.00 0.00 O ATOM 249 CB VAL A 18 -1.659 1.266 -1.561 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.833 -0.242 -1.388 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.620 1.757 -2.643 1.00 0.00 C ATOM 0 H VAL A 18 -0.811 3.696 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.018 1.788 0.001 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.628 1.476 -1.845 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.604 -0.745 -2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.158 -0.599 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.862 -0.459 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.401 1.248 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.646 1.541 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.499 2.832 -2.776 1.00 0.00 H new ATOM 261 N PHE A 19 -1.719 0.696 1.775 1.00 0.00 N ATOM 262 CA PHE A 19 -1.029 0.015 2.853 1.00 0.00 C ATOM 263 C PHE A 19 -0.570 -1.359 2.376 1.00 0.00 C ATOM 264 O PHE A 19 -1.313 -2.055 1.685 1.00 0.00 O ATOM 265 CB PHE A 19 -1.982 -0.113 4.041 1.00 0.00 C ATOM 266 CG PHE A 19 -1.495 -1.071 5.103 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.490 -0.683 5.997 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.048 -2.356 5.183 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.050 -1.574 6.988 1.00 0.00 C ATOM 270 CE2 PHE A 19 -1.600 -3.250 6.165 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.608 -2.856 7.074 1.00 0.00 C ATOM 0 H PHE A 19 -2.725 0.526 1.764 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.150 0.582 3.160 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.126 0.870 4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.956 -0.446 3.681 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.053 0.302 5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.819 -2.657 4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.718 -1.271 7.684 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.019 -4.244 6.222 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.274 -3.540 7.840 1.00 0.00 H new ATOM 281 N ILE A 20 0.653 -1.752 2.746 1.00 0.00 N ATOM 282 CA ILE A 20 1.227 -3.037 2.379 1.00 0.00 C ATOM 283 C ILE A 20 1.633 -3.749 3.665 1.00 0.00 C ATOM 284 O ILE A 20 2.778 -3.663 4.107 1.00 0.00 O ATOM 285 CB ILE A 20 2.419 -2.826 1.432 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.974 -2.113 0.151 1.00 0.00 C ATOM 287 CG2 ILE A 20 3.076 -4.164 1.067 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.174 -1.520 -0.586 1.00 0.00 C ATOM 0 H ILE A 20 1.274 -1.176 3.315 1.00 0.00 H new ATOM 0 HA ILE A 20 0.505 -3.655 1.844 1.00 0.00 H new ATOM 0 HB ILE A 20 3.147 -2.205 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.453 -2.816 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.266 -1.322 0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.916 -3.986 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.433 -4.653 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.346 -4.805 0.572 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.833 -1.019 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.678 -0.800 0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.868 -2.317 -0.852 1.00 0.00 H new ATOM 300 N GLY A 21 0.675 -4.454 4.263 1.00 0.00 N ATOM 301 CA GLY A 21 0.915 -5.228 5.467 1.00 0.00 C ATOM 302 C GLY A 21 1.442 -6.611 5.109 1.00 0.00 C ATOM 303 O GLY A 21 1.494 -6.989 3.938 1.00 0.00 O ATOM 0 H GLY A 21 -0.286 -4.501 3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.634 -4.711 6.103 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.008 -5.320 6.039 1.00 0.00 H new ATOM 307 N ASN A 22 1.832 -7.365 6.137 1.00 0.00 N ATOM 308 CA ASN A 22 2.391 -8.696 5.976 1.00 0.00 C ATOM 309 C ASN A 22 3.513 -8.680 4.937 1.00 0.00 C ATOM 310 O ASN A 22 3.535 -9.503 4.028 1.00 0.00 O ATOM 311 CB ASN A 22 1.295 -9.715 5.665 1.00 0.00 C ATOM 312 CG ASN A 22 1.807 -11.147 5.756 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.897 -11.396 6.263 1.00 0.00 O ATOM 314 ND2 ASN A 22 1.022 -12.100 5.265 1.00 0.00 N ATOM 0 H ASN A 22 1.766 -7.062 7.109 1.00 0.00 H new ATOM 0 HA ASN A 22 2.840 -9.013 6.917 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.467 -9.581 6.361 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.903 -9.533 4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.319 -13.075 5.302 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.122 -11.857 4.851 1.00 0.00 H new ATOM 321 N LEU A 23 4.446 -7.734 5.073 1.00 0.00 N ATOM 322 CA LEU A 23 5.587 -7.606 4.183 1.00 0.00 C ATOM 323 C LEU A 23 6.825 -8.192 4.862 1.00 0.00 C ATOM 324 O LEU A 23 6.974 -8.079 6.076 1.00 0.00 O ATOM 325 CB LEU A 23 5.743 -6.124 3.826 1.00 0.00 C ATOM 326 CG LEU A 23 6.882 -5.836 2.844 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.679 -6.535 1.504 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.947 -4.333 2.611 1.00 0.00 C ATOM 0 H LEU A 23 4.424 -7.032 5.813 1.00 0.00 H new ATOM 0 HA LEU A 23 5.445 -8.163 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.808 -5.764 3.397 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.914 -5.557 4.741 1.00 0.00 H new ATOM 0 HG LEU A 23 7.808 -6.214 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.512 -6.301 0.841 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.631 -7.613 1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.748 -6.192 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.753 -4.108 1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.000 -3.988 2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.134 -3.826 3.558 1.00 0.00 H new ATOM 340 N ASN A 24 7.720 -8.819 4.089 1.00 0.00 N ATOM 341 CA ASN A 24 8.899 -9.451 4.662 1.00 0.00 C ATOM 342 C ASN A 24 9.892 -8.413 5.184 1.00 0.00 C ATOM 343 O ASN A 24 10.531 -8.636 6.207 1.00 0.00 O ATOM 344 CB ASN A 24 9.559 -10.330 3.597 1.00 0.00 C ATOM 345 CG ASN A 24 10.658 -11.191 4.206 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.493 -11.738 5.292 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.785 -11.313 3.513 1.00 0.00 N ATOM 0 H ASN A 24 7.646 -8.898 3.075 1.00 0.00 H new ATOM 0 HA ASN A 24 8.592 -10.062 5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.808 -10.968 3.130 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.977 -9.702 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.551 -11.877 3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.884 -10.843 2.613 1.00 0.00 H new ATOM 354 N THR A 25 10.006 -7.290 4.467 1.00 0.00 N ATOM 355 CA THR A 25 10.871 -6.150 4.777 1.00 0.00 C ATOM 356 C THR A 25 12.335 -6.498 5.051 1.00 0.00 C ATOM 357 O THR A 25 13.102 -5.639 5.481 1.00 0.00 O ATOM 358 CB THR A 25 10.280 -5.275 5.890 1.00 0.00 C ATOM 359 OG1 THR A 25 10.232 -5.952 7.124 1.00 0.00 O ATOM 360 CG2 THR A 25 8.864 -4.860 5.508 1.00 0.00 C ATOM 0 H THR A 25 9.470 -7.146 3.612 1.00 0.00 H new ATOM 0 HA THR A 25 10.896 -5.570 3.855 1.00 0.00 H new ATOM 0 HB THR A 25 10.926 -4.404 6.002 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.465 -6.894 6.989 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.442 -4.238 6.297 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.889 -4.296 4.576 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.247 -5.749 5.377 1.00 0.00 H new ATOM 368 N LEU A 26 12.733 -7.748 4.798 1.00 0.00 N ATOM 369 CA LEU A 26 14.111 -8.197 4.935 1.00 0.00 C ATOM 370 C LEU A 26 14.777 -8.342 3.568 1.00 0.00 C ATOM 371 O LEU A 26 16.000 -8.461 3.492 1.00 0.00 O ATOM 372 CB LEU A 26 14.134 -9.532 5.689 1.00 0.00 C ATOM 373 CG LEU A 26 14.429 -9.399 7.188 1.00 0.00 C ATOM 374 CD1 LEU A 26 15.845 -8.879 7.422 1.00 0.00 C ATOM 375 CD2 LEU A 26 13.442 -8.471 7.890 1.00 0.00 C ATOM 0 H LEU A 26 12.095 -8.481 4.489 1.00 0.00 H new ATOM 0 HA LEU A 26 14.673 -7.452 5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.171 -10.026 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.886 -10.179 5.238 1.00 0.00 H new ATOM 0 HG LEU A 26 14.327 -10.399 7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.029 -8.794 8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.564 -9.572 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.955 -7.900 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.692 -8.409 8.949 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.497 -7.477 7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.431 -8.863 7.778 1.00 0.00 H new ATOM 387 N VAL A 27 13.985 -8.339 2.493 1.00 0.00 N ATOM 388 CA VAL A 27 14.492 -8.444 1.127 1.00 0.00 C ATOM 389 C VAL A 27 13.937 -7.310 0.263 1.00 0.00 C ATOM 390 O VAL A 27 14.510 -6.993 -0.779 1.00 0.00 O ATOM 391 CB VAL A 27 14.132 -9.820 0.555 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.662 -9.995 -0.867 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.738 -10.929 1.418 1.00 0.00 C ATOM 0 H VAL A 27 12.969 -8.263 2.548 1.00 0.00 H new ATOM 0 HA VAL A 27 15.578 -8.347 1.130 1.00 0.00 H new ATOM 0 HB VAL A 27 13.044 -9.885 0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.387 -10.982 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.230 -9.231 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.748 -9.897 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.474 -11.900 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.823 -10.824 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.349 -10.853 2.433 1.00 0.00 H new ATOM 403 N VAL A 28 12.826 -6.694 0.690 1.00 0.00 N ATOM 404 CA VAL A 28 12.234 -5.568 -0.024 1.00 0.00 C ATOM 405 C VAL A 28 12.487 -4.276 0.744 1.00 0.00 C ATOM 406 O VAL A 28 12.469 -4.267 1.974 1.00 0.00 O ATOM 407 CB VAL A 28 10.737 -5.809 -0.254 1.00 0.00 C ATOM 408 CG1 VAL A 28 10.100 -4.647 -1.011 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.536 -7.077 -1.083 1.00 0.00 C ATOM 0 H VAL A 28 12.320 -6.964 1.534 1.00 0.00 H new ATOM 0 HA VAL A 28 12.703 -5.474 -1.003 1.00 0.00 H new ATOM 0 HB VAL A 28 10.267 -5.907 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.039 -4.847 -1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.219 -3.729 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.586 -4.534 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.470 -7.242 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.034 -6.965 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.960 -7.930 -0.552 1.00 0.00 H new ATOM 419 N LYS A 29 12.720 -3.186 0.007 1.00 0.00 N ATOM 420 CA LYS A 29 13.011 -1.874 0.567 1.00 0.00 C ATOM 421 C LYS A 29 12.223 -0.806 -0.184 1.00 0.00 C ATOM 422 O LYS A 29 11.574 -1.088 -1.190 1.00 0.00 O ATOM 423 CB LYS A 29 14.516 -1.581 0.492 1.00 0.00 C ATOM 424 CG LYS A 29 15.379 -2.567 1.285 1.00 0.00 C ATOM 425 CD LYS A 29 15.817 -3.763 0.430 1.00 0.00 C ATOM 426 CE LYS A 29 16.641 -4.747 1.263 1.00 0.00 C ATOM 427 NZ LYS A 29 17.908 -4.144 1.723 1.00 0.00 N ATOM 0 H LYS A 29 12.710 -3.197 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 29 12.712 -1.863 1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.828 -1.598 -0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.699 -0.573 0.863 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.261 -2.052 1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.820 -2.925 2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.940 -4.267 0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.406 -3.414 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.058 -5.072 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.855 -5.636 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.528 -4.887 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.380 -3.676 0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.710 -3.443 2.465 1.00 0.00 H new ATOM 441 N LYS A 30 12.285 0.431 0.310 1.00 0.00 N ATOM 442 CA LYS A 30 11.612 1.577 -0.290 1.00 0.00 C ATOM 443 C LYS A 30 12.170 1.911 -1.675 1.00 0.00 C ATOM 444 O LYS A 30 11.614 2.756 -2.375 1.00 0.00 O ATOM 445 CB LYS A 30 11.727 2.757 0.668 1.00 0.00 C ATOM 446 CG LYS A 30 13.193 3.088 0.965 1.00 0.00 C ATOM 447 CD LYS A 30 13.308 3.627 2.390 1.00 0.00 C ATOM 448 CE LYS A 30 12.509 4.922 2.543 1.00 0.00 C ATOM 449 NZ LYS A 30 12.671 5.494 3.892 1.00 0.00 N ATOM 0 H LYS A 30 12.813 0.665 1.151 1.00 0.00 H new ATOM 0 HA LYS A 30 10.561 1.336 -0.447 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.235 3.629 0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.208 2.526 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.810 2.197 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.563 3.826 0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.942 2.882 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.355 3.809 2.632 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.838 5.645 1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.454 4.726 2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.052 6.324 3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.414 4.781 4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.661 5.781 4.031 1.00 0.00 H new ATOM 463 N SER A 31 13.262 1.247 -2.065 1.00 0.00 N ATOM 464 CA SER A 31 13.857 1.393 -3.386 1.00 0.00 C ATOM 465 C SER A 31 13.403 0.269 -4.318 1.00 0.00 C ATOM 466 O SER A 31 13.792 0.236 -5.486 1.00 0.00 O ATOM 467 CB SER A 31 15.380 1.415 -3.259 1.00 0.00 C ATOM 468 OG SER A 31 15.781 2.454 -2.386 1.00 0.00 O ATOM 0 H SER A 31 13.758 0.589 -1.464 1.00 0.00 H new ATOM 0 HA SER A 31 13.523 2.334 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.735 0.456 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.832 1.559 -4.240 1.00 0.00 H new ATOM 0 HG SER A 31 16.758 2.459 -2.310 1.00 0.00 H new ATOM 474 N ASP A 32 12.575 -0.651 -3.805 1.00 0.00 N ATOM 475 CA ASP A 32 12.037 -1.773 -4.553 1.00 0.00 C ATOM 476 C ASP A 32 10.521 -1.648 -4.673 1.00 0.00 C ATOM 477 O ASP A 32 9.943 -2.022 -5.693 1.00 0.00 O ATOM 478 CB ASP A 32 12.411 -3.052 -3.806 1.00 0.00 C ATOM 479 CG ASP A 32 13.909 -3.330 -3.883 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.368 -3.732 -4.977 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.582 -3.142 -2.845 1.00 0.00 O ATOM 0 H ASP A 32 12.259 -0.627 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 32 12.449 -1.792 -5.562 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.110 -2.966 -2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.862 -3.894 -4.228 1.00 0.00 H new ATOM 486 N VAL A 33 9.863 -1.116 -3.638 1.00 0.00 N ATOM 487 CA VAL A 33 8.423 -0.903 -3.664 1.00 0.00 C ATOM 488 C VAL A 33 8.072 0.092 -4.770 1.00 0.00 C ATOM 489 O VAL A 33 7.007 0.001 -5.374 1.00 0.00 O ATOM 490 CB VAL A 33 7.975 -0.388 -2.292 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.493 -0.021 -2.297 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.174 -1.470 -1.230 1.00 0.00 C ATOM 0 H VAL A 33 10.313 -0.826 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 33 7.904 -1.838 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 33 8.576 0.493 -2.068 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.204 0.341 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.314 0.760 -3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.901 -0.901 -2.548 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.852 -1.091 -0.260 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.584 -2.349 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.228 -1.742 -1.181 1.00 0.00 H new ATOM 502 N GLU A 34 8.968 1.043 -5.045 1.00 0.00 N ATOM 503 CA GLU A 34 8.757 2.031 -6.098 1.00 0.00 C ATOM 504 C GLU A 34 9.090 1.463 -7.481 1.00 0.00 C ATOM 505 O GLU A 34 9.102 2.203 -8.464 1.00 0.00 O ATOM 506 CB GLU A 34 9.543 3.308 -5.803 1.00 0.00 C ATOM 507 CG GLU A 34 11.056 3.062 -5.818 1.00 0.00 C ATOM 508 CD GLU A 34 11.851 4.350 -5.591 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.221 5.391 -5.292 1.00 0.00 O ATOM 510 OE2 GLU A 34 13.094 4.286 -5.720 1.00 0.00 O ATOM 0 H GLU A 34 9.852 1.147 -4.547 1.00 0.00 H new ATOM 0 HA GLU A 34 7.698 2.288 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.291 4.069 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.248 3.700 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.313 2.337 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.342 2.624 -6.774 1.00 0.00 H new ATOM 517 N ALA A 35 9.360 0.158 -7.559 1.00 0.00 N ATOM 518 CA ALA A 35 9.638 -0.524 -8.814 1.00 0.00 C ATOM 519 C ALA A 35 8.718 -1.731 -9.003 1.00 0.00 C ATOM 520 O ALA A 35 8.723 -2.348 -10.066 1.00 0.00 O ATOM 521 CB ALA A 35 11.109 -0.943 -8.831 1.00 0.00 C ATOM 0 H ALA A 35 9.391 -0.455 -6.744 1.00 0.00 H new ATOM 0 HA ALA A 35 9.445 0.155 -9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.330 -1.456 -9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.740 -0.059 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.306 -1.614 -7.995 1.00 0.00 H new ATOM 527 N ILE A 36 7.928 -2.069 -7.976 1.00 0.00 N ATOM 528 CA ILE A 36 6.981 -3.178 -8.035 1.00 0.00 C ATOM 529 C ILE A 36 5.542 -2.663 -8.030 1.00 0.00 C ATOM 530 O ILE A 36 4.652 -3.307 -8.580 1.00 0.00 O ATOM 531 CB ILE A 36 7.247 -4.112 -6.845 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.675 -4.667 -6.926 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.230 -5.258 -6.834 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.113 -5.259 -5.588 1.00 0.00 C ATOM 0 H ILE A 36 7.931 -1.578 -7.082 1.00 0.00 H new ATOM 0 HA ILE A 36 7.117 -3.732 -8.964 1.00 0.00 H new ATOM 0 HB ILE A 36 7.141 -3.546 -5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.727 -5.433 -7.700 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.361 -3.872 -7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.429 -5.913 -5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.223 -4.850 -6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.313 -5.827 -7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.129 -5.644 -5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.083 -4.485 -4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.440 -6.070 -5.311 1.00 0.00 H new ATOM 546 N PHE A 37 5.307 -1.506 -7.412 1.00 0.00 N ATOM 547 CA PHE A 37 3.984 -0.909 -7.338 1.00 0.00 C ATOM 548 C PHE A 37 3.835 0.219 -8.361 1.00 0.00 C ATOM 549 O PHE A 37 2.737 0.732 -8.563 1.00 0.00 O ATOM 550 CB PHE A 37 3.726 -0.433 -5.909 1.00 0.00 C ATOM 551 CG PHE A 37 3.508 -1.560 -4.925 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.610 -2.244 -4.392 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.206 -1.923 -4.549 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.410 -3.305 -3.499 1.00 0.00 C ATOM 555 CE2 PHE A 37 2.005 -2.977 -3.650 1.00 0.00 C ATOM 556 CZ PHE A 37 3.106 -3.670 -3.127 1.00 0.00 C ATOM 0 H PHE A 37 6.033 -0.959 -6.949 1.00 0.00 H new ATOM 0 HA PHE A 37 3.231 -1.655 -7.590 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.572 0.169 -5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.851 0.217 -5.904 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.612 -1.953 -4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.359 -1.389 -4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.257 -3.841 -3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.003 -3.256 -3.360 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.951 -4.486 -2.437 1.00 0.00 H new ATOM 566 N SER A 38 4.935 0.606 -9.015 1.00 0.00 N ATOM 567 CA SER A 38 4.927 1.684 -9.997 1.00 0.00 C ATOM 568 C SER A 38 4.240 1.261 -11.293 1.00 0.00 C ATOM 569 O SER A 38 3.913 2.107 -12.123 1.00 0.00 O ATOM 570 CB SER A 38 6.364 2.104 -10.276 1.00 0.00 C ATOM 571 OG SER A 38 7.109 0.994 -10.727 1.00 0.00 O ATOM 0 H SER A 38 5.851 0.179 -8.876 1.00 0.00 H new ATOM 0 HA SER A 38 4.362 2.523 -9.591 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.382 2.894 -11.026 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.815 2.513 -9.372 1.00 0.00 H new ATOM 0 HG SER A 38 8.032 1.270 -10.906 1.00 0.00 H new ATOM 577 N LYS A 39 4.026 -0.044 -11.462 1.00 0.00 N ATOM 578 CA LYS A 39 3.365 -0.595 -12.638 1.00 0.00 C ATOM 579 C LYS A 39 1.840 -0.550 -12.518 1.00 0.00 C ATOM 580 O LYS A 39 1.144 -0.793 -13.503 1.00 0.00 O ATOM 581 CB LYS A 39 3.876 -2.016 -12.855 1.00 0.00 C ATOM 582 CG LYS A 39 3.430 -2.920 -11.707 1.00 0.00 C ATOM 583 CD LYS A 39 4.298 -4.174 -11.647 1.00 0.00 C ATOM 584 CE LYS A 39 4.151 -4.996 -12.928 1.00 0.00 C ATOM 585 NZ LYS A 39 4.976 -6.218 -12.871 1.00 0.00 N ATOM 0 H LYS A 39 4.309 -0.749 -10.782 1.00 0.00 H new ATOM 0 HA LYS A 39 3.608 0.017 -13.506 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.499 -2.405 -13.801 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.964 -2.012 -12.923 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.496 -2.379 -10.763 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.385 -3.200 -11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.342 -3.893 -11.507 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.013 -4.779 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.105 -5.266 -13.073 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.447 -4.393 -13.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.858 -6.758 -13.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.976 -5.957 -12.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.676 -6.802 -12.065 1.00 0.00 H new ATOM 599 N TYR A 40 1.321 -0.244 -11.325 1.00 0.00 N ATOM 600 CA TYR A 40 -0.119 -0.126 -11.108 1.00 0.00 C ATOM 601 C TYR A 40 -0.537 1.334 -10.962 1.00 0.00 C ATOM 602 O TYR A 40 -1.722 1.649 -11.058 1.00 0.00 O ATOM 603 CB TYR A 40 -0.513 -0.947 -9.882 1.00 0.00 C ATOM 604 CG TYR A 40 -0.103 -2.398 -10.011 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.826 -3.261 -10.844 1.00 0.00 C ATOM 606 CD2 TYR A 40 1.016 -2.870 -9.313 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.419 -4.592 -11.004 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.431 -4.199 -9.467 1.00 0.00 C ATOM 609 CZ TYR A 40 0.720 -5.064 -10.322 1.00 0.00 C ATOM 610 OH TYR A 40 1.133 -6.350 -10.490 1.00 0.00 O ATOM 0 H TYR A 40 1.883 -0.073 -10.491 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.645 -0.519 -11.978 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.049 -0.517 -8.994 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.592 -0.887 -9.738 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.700 -2.899 -11.365 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.560 -2.208 -8.655 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.977 -5.255 -11.649 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.296 -4.560 -8.930 1.00 0.00 H new ATOM 0 HH TYR A 40 0.647 -6.933 -9.870 1.00 0.00 H new ATOM 620 N GLY A 41 0.431 2.227 -10.735 1.00 0.00 N ATOM 621 CA GLY A 41 0.167 3.653 -10.694 1.00 0.00 C ATOM 622 C GLY A 41 1.444 4.464 -10.523 1.00 0.00 C ATOM 623 O GLY A 41 2.473 3.938 -10.099 1.00 0.00 O ATOM 0 H GLY A 41 1.407 1.977 -10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.334 3.956 -11.613 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.515 3.872 -9.872 1.00 0.00 H new ATOM 627 N LYS A 42 1.371 5.757 -10.856 1.00 0.00 N ATOM 628 CA LYS A 42 2.485 6.676 -10.703 1.00 0.00 C ATOM 629 C LYS A 42 2.669 6.976 -9.221 1.00 0.00 C ATOM 630 O LYS A 42 1.803 7.588 -8.597 1.00 0.00 O ATOM 631 CB LYS A 42 2.188 7.936 -11.516 1.00 0.00 C ATOM 632 CG LYS A 42 3.183 9.056 -11.214 1.00 0.00 C ATOM 633 CD LYS A 42 2.880 10.257 -12.110 1.00 0.00 C ATOM 634 CE LYS A 42 3.671 11.464 -11.612 1.00 0.00 C ATOM 635 NZ LYS A 42 3.452 12.637 -12.477 1.00 0.00 N ATOM 0 H LYS A 42 0.531 6.189 -11.240 1.00 0.00 H new ATOM 0 HA LYS A 42 3.415 6.246 -11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.221 7.698 -12.579 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.177 8.280 -11.297 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.116 9.344 -10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.202 8.708 -11.385 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.147 10.033 -13.143 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.812 10.476 -12.097 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.373 11.701 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.733 11.221 -11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.001 13.443 -12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.759 12.416 -13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.441 12.881 -12.481 1.00 0.00 H new ATOM 649 N ILE A 43 3.801 6.545 -8.661 1.00 0.00 N ATOM 650 CA ILE A 43 4.094 6.732 -7.251 1.00 0.00 C ATOM 651 C ILE A 43 4.675 8.124 -7.022 1.00 0.00 C ATOM 652 O ILE A 43 5.625 8.524 -7.696 1.00 0.00 O ATOM 653 CB ILE A 43 5.026 5.608 -6.773 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.289 4.274 -6.918 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.426 5.818 -5.312 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.154 3.076 -6.531 1.00 0.00 C ATOM 0 H ILE A 43 4.535 6.058 -9.176 1.00 0.00 H new ATOM 0 HA ILE A 43 3.181 6.672 -6.659 1.00 0.00 H new ATOM 0 HB ILE A 43 5.934 5.611 -7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.395 4.288 -6.294 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.956 4.158 -7.949 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.086 5.010 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.945 6.771 -5.210 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.533 5.823 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.580 2.158 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.035 3.041 -7.172 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.466 3.173 -5.491 1.00 0.00 H new ATOM 668 N VAL A 44 4.096 8.856 -6.068 1.00 0.00 N ATOM 669 CA VAL A 44 4.540 10.199 -5.710 1.00 0.00 C ATOM 670 C VAL A 44 5.214 10.202 -4.342 1.00 0.00 C ATOM 671 O VAL A 44 5.803 11.203 -3.937 1.00 0.00 O ATOM 672 CB VAL A 44 3.355 11.176 -5.747 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.764 11.236 -7.154 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.253 10.764 -4.768 1.00 0.00 C ATOM 0 H VAL A 44 3.300 8.529 -5.520 1.00 0.00 H new ATOM 0 HA VAL A 44 5.278 10.528 -6.441 1.00 0.00 H new ATOM 0 HB VAL A 44 3.735 12.155 -5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.925 11.932 -7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.527 11.575 -7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.418 10.245 -7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.432 11.479 -4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.887 9.771 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.654 10.749 -3.754 1.00 0.00 H new ATOM 684 N GLY A 45 5.127 9.075 -3.627 1.00 0.00 N ATOM 685 CA GLY A 45 5.751 8.913 -2.327 1.00 0.00 C ATOM 686 C GLY A 45 5.721 7.445 -1.918 1.00 0.00 C ATOM 687 O GLY A 45 4.799 6.718 -2.281 1.00 0.00 O ATOM 0 H GLY A 45 4.617 8.250 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.781 9.269 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.229 9.517 -1.585 1.00 0.00 H new ATOM 691 N CYS A 46 6.724 7.008 -1.162 1.00 0.00 N ATOM 692 CA CYS A 46 6.806 5.639 -0.690 1.00 0.00 C ATOM 693 C CYS A 46 7.567 5.591 0.629 1.00 0.00 C ATOM 694 O CYS A 46 8.411 6.445 0.900 1.00 0.00 O ATOM 695 CB CYS A 46 7.488 4.770 -1.752 1.00 0.00 C ATOM 696 SG CYS A 46 9.243 5.213 -1.880 1.00 0.00 S ATOM 0 H CYS A 46 7.501 7.597 -0.862 1.00 0.00 H new ATOM 0 HA CYS A 46 5.803 5.249 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.388 3.716 -1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.998 4.907 -2.716 1.00 0.00 H new ATOM 0 HG CYS A 46 9.950 4.137 -2.061 1.00 0.00 H new ATOM 702 N SER A 47 7.271 4.589 1.453 1.00 0.00 N ATOM 703 CA SER A 47 7.986 4.391 2.701 1.00 0.00 C ATOM 704 C SER A 47 7.834 2.948 3.158 1.00 0.00 C ATOM 705 O SER A 47 6.738 2.393 3.116 1.00 0.00 O ATOM 706 CB SER A 47 7.438 5.341 3.765 1.00 0.00 C ATOM 707 OG SER A 47 8.206 5.215 4.941 1.00 0.00 O ATOM 0 H SER A 47 6.538 3.902 1.274 1.00 0.00 H new ATOM 0 HA SER A 47 9.044 4.603 2.548 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.471 6.369 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.393 5.110 3.972 1.00 0.00 H new ATOM 0 HG SER A 47 7.728 4.652 5.585 1.00 0.00 H new ATOM 713 N VAL A 48 8.937 2.341 3.592 1.00 0.00 N ATOM 714 CA VAL A 48 8.929 0.990 4.130 1.00 0.00 C ATOM 715 C VAL A 48 9.238 1.042 5.619 1.00 0.00 C ATOM 716 O VAL A 48 9.957 1.926 6.081 1.00 0.00 O ATOM 717 CB VAL A 48 9.914 0.101 3.363 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.957 -1.317 3.928 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.473 0.017 1.902 1.00 0.00 C ATOM 0 H VAL A 48 9.860 2.776 3.579 1.00 0.00 H new ATOM 0 HA VAL A 48 7.942 0.546 4.005 1.00 0.00 H new ATOM 0 HB VAL A 48 10.905 0.544 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.667 -1.915 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.268 -1.283 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.966 -1.766 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.168 -0.614 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.472 -0.411 1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.464 1.016 1.467 1.00 0.00 H new ATOM 729 N HIS A 49 8.686 0.087 6.363 1.00 0.00 N ATOM 730 CA HIS A 49 8.840 -0.017 7.801 1.00 0.00 C ATOM 731 C HIS A 49 9.130 -1.475 8.136 1.00 0.00 C ATOM 732 O HIS A 49 9.404 -2.268 7.239 1.00 0.00 O ATOM 733 CB HIS A 49 7.560 0.475 8.472 1.00 0.00 C ATOM 734 CG HIS A 49 7.155 1.861 8.044 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.392 3.035 8.765 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.497 2.173 6.887 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.866 4.023 8.020 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.323 3.534 6.890 1.00 0.00 N ATOM 0 H HIS A 49 8.105 -0.652 5.967 1.00 0.00 H new ATOM 0 HA HIS A 49 9.664 0.598 8.164 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.750 -0.218 8.245 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.697 0.462 9.553 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.177 1.483 6.120 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.878 5.068 8.292 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.862 4.080 6.162 1.00 0.00 H new ATOM 746 N LYS A 50 9.075 -1.850 9.416 1.00 0.00 N ATOM 747 CA LYS A 50 9.267 -3.245 9.786 1.00 0.00 C ATOM 748 C LYS A 50 7.940 -3.987 9.684 1.00 0.00 C ATOM 749 O LYS A 50 6.981 -3.656 10.381 1.00 0.00 O ATOM 750 CB LYS A 50 9.861 -3.348 11.195 1.00 0.00 C ATOM 751 CG LYS A 50 11.223 -2.653 11.308 1.00 0.00 C ATOM 752 CD LYS A 50 12.253 -3.281 10.369 1.00 0.00 C ATOM 753 CE LYS A 50 13.611 -2.620 10.589 1.00 0.00 C ATOM 754 NZ LYS A 50 14.642 -3.203 9.708 1.00 0.00 N ATOM 0 H LYS A 50 8.902 -1.217 10.197 1.00 0.00 H new ATOM 0 HA LYS A 50 9.974 -3.709 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.169 -2.904 11.911 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.969 -4.399 11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.113 -1.594 11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.580 -2.716 12.336 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.324 -4.353 10.554 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.940 -3.157 9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.531 -1.550 10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.911 -2.738 11.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.553 -2.733 9.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.734 -4.220 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.366 -3.068 8.714 1.00 0.00 H new ATOM 768 N GLY A 51 7.895 -4.994 8.812 1.00 0.00 N ATOM 769 CA GLY A 51 6.718 -5.826 8.602 1.00 0.00 C ATOM 770 C GLY A 51 5.642 -5.178 7.728 1.00 0.00 C ATOM 771 O GLY A 51 4.729 -5.868 7.279 1.00 0.00 O ATOM 0 H GLY A 51 8.687 -5.256 8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.027 -6.765 8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.284 -6.073 9.571 1.00 0.00 H new ATOM 775 N PHE A 52 5.723 -3.867 7.468 1.00 0.00 N ATOM 776 CA PHE A 52 4.742 -3.190 6.625 1.00 0.00 C ATOM 777 C PHE A 52 5.382 -2.084 5.786 1.00 0.00 C ATOM 778 O PHE A 52 6.510 -1.672 6.051 1.00 0.00 O ATOM 779 CB PHE A 52 3.600 -2.628 7.478 1.00 0.00 C ATOM 780 CG PHE A 52 3.994 -1.528 8.435 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.487 -1.846 9.706 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.862 -0.187 8.051 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.846 -0.825 10.596 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.221 0.835 8.938 1.00 0.00 C ATOM 785 CZ PHE A 52 4.716 0.518 10.212 1.00 0.00 C ATOM 0 H PHE A 52 6.458 -3.259 7.830 1.00 0.00 H new ATOM 0 HA PHE A 52 4.335 -3.929 5.935 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.824 -2.249 6.813 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.159 -3.445 8.050 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.591 -2.880 10.001 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.483 0.058 7.070 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.223 -1.072 11.578 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.117 1.868 8.641 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.996 1.306 10.895 1.00 0.00 H new ATOM 795 N ALA A 53 4.657 -1.604 4.772 1.00 0.00 N ATOM 796 CA ALA A 53 5.094 -0.511 3.917 1.00 0.00 C ATOM 797 C ALA A 53 3.897 0.321 3.444 1.00 0.00 C ATOM 798 O ALA A 53 2.744 -0.051 3.666 1.00 0.00 O ATOM 799 CB ALA A 53 5.864 -1.079 2.723 1.00 0.00 C ATOM 0 H ALA A 53 3.739 -1.972 4.523 1.00 0.00 H new ATOM 0 HA ALA A 53 5.750 0.147 4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.193 -0.262 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.733 -1.632 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.216 -1.748 2.157 1.00 0.00 H new ATOM 805 N PHE A 54 4.183 1.446 2.791 1.00 0.00 N ATOM 806 CA PHE A 54 3.185 2.370 2.280 1.00 0.00 C ATOM 807 C PHE A 54 3.598 2.910 0.910 1.00 0.00 C ATOM 808 O PHE A 54 4.783 3.104 0.639 1.00 0.00 O ATOM 809 CB PHE A 54 3.002 3.527 3.270 1.00 0.00 C ATOM 810 CG PHE A 54 1.970 3.257 4.339 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.613 3.295 3.997 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.353 2.979 5.662 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.365 3.065 4.972 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.375 2.739 6.634 1.00 0.00 C ATOM 815 CZ PHE A 54 0.017 2.790 6.291 1.00 0.00 C ATOM 0 H PHE A 54 5.140 1.743 2.600 1.00 0.00 H new ATOM 0 HA PHE A 54 2.240 1.838 2.166 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.959 3.739 3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.715 4.423 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.320 3.502 2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.399 2.951 5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.412 3.100 4.708 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.667 2.514 7.649 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.736 2.617 7.045 1.00 0.00 H new ATOM 825 N VAL A 55 2.605 3.148 0.050 1.00 0.00 N ATOM 826 CA VAL A 55 2.805 3.693 -1.287 1.00 0.00 C ATOM 827 C VAL A 55 1.748 4.748 -1.560 1.00 0.00 C ATOM 828 O VAL A 55 0.582 4.551 -1.237 1.00 0.00 O ATOM 829 CB VAL A 55 2.726 2.582 -2.337 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.840 3.152 -3.750 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.868 1.597 -2.131 1.00 0.00 C ATOM 0 H VAL A 55 1.626 2.963 0.270 1.00 0.00 H new ATOM 0 HA VAL A 55 3.795 4.146 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 55 1.762 2.085 -2.223 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.781 2.341 -4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.026 3.856 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.795 3.667 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.808 0.808 -2.881 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.820 2.118 -2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.795 1.158 -1.136 1.00 0.00 H new ATOM 841 N GLN A 56 2.156 5.866 -2.156 1.00 0.00 N ATOM 842 CA GLN A 56 1.275 6.985 -2.427 1.00 0.00 C ATOM 843 C GLN A 56 1.175 7.197 -3.933 1.00 0.00 C ATOM 844 O GLN A 56 2.193 7.256 -4.621 1.00 0.00 O ATOM 845 CB GLN A 56 1.849 8.213 -1.713 1.00 0.00 C ATOM 846 CG GLN A 56 0.931 9.431 -1.785 1.00 0.00 C ATOM 847 CD GLN A 56 -0.251 9.311 -0.835 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.080 9.151 0.372 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.462 9.386 -1.370 1.00 0.00 N ATOM 0 H GLN A 56 3.117 6.016 -2.465 1.00 0.00 H new ATOM 0 HA GLN A 56 0.266 6.799 -2.058 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.033 7.965 -0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.813 8.465 -2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.500 10.329 -1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.566 9.550 -2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.568 9.519 -2.376 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.288 9.311 -0.776 1.00 0.00 H new ATOM 858 N TYR A 57 -0.052 7.314 -4.445 1.00 0.00 N ATOM 859 CA TYR A 57 -0.317 7.525 -5.859 1.00 0.00 C ATOM 860 C TYR A 57 -0.886 8.919 -6.095 1.00 0.00 C ATOM 861 O TYR A 57 -1.123 9.671 -5.152 1.00 0.00 O ATOM 862 CB TYR A 57 -1.297 6.472 -6.371 1.00 0.00 C ATOM 863 CG TYR A 57 -0.758 5.063 -6.347 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.422 4.764 -7.044 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.433 4.053 -5.642 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.945 3.463 -7.022 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.910 2.756 -5.612 1.00 0.00 C ATOM 868 CZ TYR A 57 0.284 2.460 -6.294 1.00 0.00 C ATOM 869 OH TYR A 57 0.800 1.206 -6.254 1.00 0.00 O ATOM 0 H TYR A 57 -0.897 7.263 -3.876 1.00 0.00 H new ATOM 0 HA TYR A 57 0.623 7.435 -6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.204 6.512 -5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.582 6.723 -7.393 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.930 5.539 -7.600 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.354 4.277 -5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.852 3.233 -7.562 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.424 1.980 -5.064 1.00 0.00 H new ATOM 0 HH TYR A 57 1.404 1.076 -7.015 1.00 0.00 H new ATOM 879 N VAL A 58 -1.105 9.256 -7.368 1.00 0.00 N ATOM 880 CA VAL A 58 -1.677 10.535 -7.754 1.00 0.00 C ATOM 881 C VAL A 58 -3.163 10.586 -7.405 1.00 0.00 C ATOM 882 O VAL A 58 -3.684 11.658 -7.104 1.00 0.00 O ATOM 883 CB VAL A 58 -1.447 10.756 -9.252 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.191 11.996 -9.752 1.00 0.00 C ATOM 885 CG2 VAL A 58 0.044 10.935 -9.533 1.00 0.00 C ATOM 0 H VAL A 58 -0.889 8.645 -8.156 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.187 11.337 -7.202 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.827 9.879 -9.775 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.007 12.125 -10.819 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.260 11.873 -9.580 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.836 12.875 -9.214 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.197 11.091 -10.601 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.417 11.799 -8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.584 10.043 -9.216 1.00 0.00 H new ATOM 895 N ASN A 59 -3.853 9.437 -7.441 1.00 0.00 N ATOM 896 CA ASN A 59 -5.268 9.401 -7.100 1.00 0.00 C ATOM 897 C ASN A 59 -5.714 8.014 -6.644 1.00 0.00 C ATOM 898 O ASN A 59 -4.982 7.038 -6.789 1.00 0.00 O ATOM 899 CB ASN A 59 -6.102 9.897 -8.288 1.00 0.00 C ATOM 900 CG ASN A 59 -6.518 8.797 -9.244 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.709 8.552 -9.404 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.562 8.130 -9.878 1.00 0.00 N ATOM 0 H ASN A 59 -3.454 8.535 -7.700 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.430 10.069 -6.254 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.995 10.395 -7.910 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.528 10.644 -8.836 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.806 7.382 -10.527 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.583 8.365 -9.716 1.00 0.00 H new ATOM 909 N GLU A 60 -6.929 7.935 -6.094 1.00 0.00 N ATOM 910 CA GLU A 60 -7.496 6.697 -5.575 1.00 0.00 C ATOM 911 C GLU A 60 -7.590 5.611 -6.644 1.00 0.00 C ATOM 912 O GLU A 60 -7.481 4.431 -6.317 1.00 0.00 O ATOM 913 CB GLU A 60 -8.878 7.018 -4.995 1.00 0.00 C ATOM 914 CG GLU A 60 -9.584 5.761 -4.477 1.00 0.00 C ATOM 915 CD GLU A 60 -10.960 6.064 -3.882 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.227 7.250 -3.585 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.735 5.092 -3.729 1.00 0.00 O ATOM 0 H GLU A 60 -7.549 8.739 -5.998 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.840 6.300 -4.800 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.773 7.737 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.493 7.491 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.694 5.048 -5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.961 5.285 -3.720 1.00 0.00 H new ATOM 924 N ARG A 61 -7.786 5.971 -7.914 1.00 0.00 N ATOM 925 CA ARG A 61 -7.891 4.968 -8.970 1.00 0.00 C ATOM 926 C ARG A 61 -6.612 4.132 -9.027 1.00 0.00 C ATOM 927 O ARG A 61 -6.663 2.924 -9.250 1.00 0.00 O ATOM 928 CB ARG A 61 -8.157 5.669 -10.303 1.00 0.00 C ATOM 929 CG ARG A 61 -8.001 4.738 -11.508 1.00 0.00 C ATOM 930 CD ARG A 61 -8.865 3.484 -11.382 1.00 0.00 C ATOM 931 NE ARG A 61 -10.296 3.811 -11.360 1.00 0.00 N ATOM 932 CZ ARG A 61 -11.257 2.916 -11.114 1.00 0.00 C ATOM 933 NH1 ARG A 61 -10.952 1.644 -10.867 1.00 0.00 N ATOM 934 NH2 ARG A 61 -12.532 3.289 -11.113 1.00 0.00 N ATOM 0 H ARG A 61 -7.874 6.936 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.720 4.292 -8.760 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.167 6.080 -10.296 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.471 6.510 -10.409 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.272 5.274 -12.417 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.955 4.448 -11.609 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.658 2.814 -12.216 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.600 2.949 -10.470 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.572 4.776 -11.543 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.977 1.345 -10.864 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.693 0.969 -10.680 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.779 4.261 -11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.264 2.604 -10.925 1.00 0.00 H new ATOM 948 N ASN A 62 -5.464 4.772 -8.823 1.00 0.00 N ATOM 949 CA ASN A 62 -4.200 4.060 -8.841 1.00 0.00 C ATOM 950 C ASN A 62 -4.045 3.179 -7.604 1.00 0.00 C ATOM 951 O ASN A 62 -3.318 2.188 -7.634 1.00 0.00 O ATOM 952 CB ASN A 62 -3.071 5.080 -8.931 1.00 0.00 C ATOM 953 CG ASN A 62 -2.963 5.663 -10.331 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.043 6.873 -10.517 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.777 4.798 -11.320 1.00 0.00 N ATOM 0 H ASN A 62 -5.388 5.773 -8.645 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.167 3.399 -9.707 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.245 5.882 -8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.128 4.607 -8.658 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.695 5.131 -12.280 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.716 3.800 -11.120 1.00 0.00 H new ATOM 962 N ALA A 63 -4.727 3.528 -6.510 1.00 0.00 N ATOM 963 CA ALA A 63 -4.675 2.738 -5.292 1.00 0.00 C ATOM 964 C ALA A 63 -5.519 1.478 -5.443 1.00 0.00 C ATOM 965 O ALA A 63 -5.140 0.418 -4.949 1.00 0.00 O ATOM 966 CB ALA A 63 -5.156 3.583 -4.114 1.00 0.00 C ATOM 0 H ALA A 63 -5.321 4.355 -6.450 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.646 2.431 -5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.117 2.990 -3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.514 4.457 -4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.181 3.906 -4.293 1.00 0.00 H new ATOM 972 N ARG A 64 -6.663 1.584 -6.124 1.00 0.00 N ATOM 973 CA ARG A 64 -7.534 0.437 -6.354 1.00 0.00 C ATOM 974 C ARG A 64 -6.858 -0.548 -7.299 1.00 0.00 C ATOM 975 O ARG A 64 -7.138 -1.743 -7.239 1.00 0.00 O ATOM 976 CB ARG A 64 -8.865 0.901 -6.956 1.00 0.00 C ATOM 977 CG ARG A 64 -9.641 1.863 -6.050 1.00 0.00 C ATOM 978 CD ARG A 64 -10.045 1.224 -4.722 1.00 0.00 C ATOM 979 NE ARG A 64 -10.839 2.169 -3.931 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.318 1.928 -2.708 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.101 0.769 -2.094 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.023 2.866 -2.085 1.00 0.00 N ATOM 0 H ARG A 64 -7.005 2.457 -6.525 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.726 -0.056 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.672 1.389 -7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.485 0.029 -7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.030 2.744 -5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.535 2.205 -6.571 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.621 0.317 -4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.155 0.929 -4.166 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.041 3.079 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.558 0.040 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.477 0.609 -1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.195 3.762 -2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.393 2.690 -1.151 1.00 0.00 H new ATOM 996 N ALA A 65 -5.970 -0.059 -8.170 1.00 0.00 N ATOM 997 CA ALA A 65 -5.285 -0.916 -9.125 1.00 0.00 C ATOM 998 C ALA A 65 -4.160 -1.692 -8.443 1.00 0.00 C ATOM 999 O ALA A 65 -3.887 -2.834 -8.810 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.743 -0.049 -10.264 1.00 0.00 C ATOM 0 H ALA A 65 -5.713 0.926 -8.228 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.985 -1.647 -9.530 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.227 -0.680 -10.988 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.569 0.465 -10.755 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.046 0.686 -9.862 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.500 -1.088 -7.449 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.420 -1.757 -6.742 1.00 0.00 C ATOM 1008 C ALA A 66 -2.951 -2.673 -5.642 1.00 0.00 C ATOM 1009 O ALA A 66 -2.381 -3.733 -5.398 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.498 -0.688 -6.176 1.00 0.00 C ATOM 0 H ALA A 66 -3.698 -0.142 -7.122 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.869 -2.397 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.677 -1.163 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.098 -0.084 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.058 -0.050 -5.492 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.038 -2.282 -4.975 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.673 -3.117 -3.963 1.00 0.00 C ATOM 1018 C VAL A 67 -5.239 -4.379 -4.605 1.00 0.00 C ATOM 1019 O VAL A 67 -5.302 -5.426 -3.962 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.784 -2.316 -3.275 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.664 -3.201 -2.395 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.171 -1.242 -2.373 1.00 0.00 C ATOM 0 H VAL A 67 -4.498 -1.383 -5.122 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.935 -3.416 -3.218 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.390 -1.874 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.438 -2.593 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.130 -3.974 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.053 -3.669 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.967 -0.677 -1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.548 -1.716 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.561 -0.567 -2.974 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.654 -4.298 -5.871 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.160 -5.461 -6.587 1.00 0.00 C ATOM 1034 C ALA A 68 -5.078 -6.130 -7.439 1.00 0.00 C ATOM 1035 O ALA A 68 -5.306 -7.222 -7.960 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.349 -5.028 -7.444 1.00 0.00 C ATOM 0 H ALA A 68 -5.648 -3.437 -6.418 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.480 -6.209 -5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.739 -5.889 -7.987 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.130 -4.619 -6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.027 -4.267 -8.155 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.913 -5.491 -7.588 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.837 -6.009 -8.423 1.00 0.00 C ATOM 1044 C GLY A 69 -1.706 -6.662 -7.630 1.00 0.00 C ATOM 1045 O GLY A 69 -0.871 -7.340 -8.222 1.00 0.00 O ATOM 0 H GLY A 69 -3.695 -4.604 -7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.249 -6.739 -9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.427 -5.194 -9.020 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.661 -6.477 -6.306 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.555 -6.976 -5.490 1.00 0.00 C ATOM 1051 C GLU A 70 -1.042 -7.680 -4.223 1.00 0.00 C ATOM 1052 O GLU A 70 -0.288 -8.445 -3.627 1.00 0.00 O ATOM 1053 CB GLU A 70 0.351 -5.799 -5.112 1.00 0.00 C ATOM 1054 CG GLU A 70 1.230 -5.365 -6.285 1.00 0.00 C ATOM 1055 CD GLU A 70 2.383 -6.347 -6.487 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.322 -6.303 -5.663 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.331 -7.137 -7.454 1.00 0.00 O ATOM 0 H GLU A 70 -2.381 -5.984 -5.778 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.006 -7.712 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.261 -4.958 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.982 -6.081 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.631 -5.308 -7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.625 -4.366 -6.100 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.280 -7.447 -3.787 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.786 -8.127 -2.604 1.00 0.00 C ATOM 1066 C ASP A 71 -2.799 -9.637 -2.835 1.00 0.00 C ATOM 1067 O ASP A 71 -3.503 -10.125 -3.718 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.188 -7.623 -2.276 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.763 -8.351 -1.069 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.037 -8.436 -0.053 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -5.921 -8.815 -1.165 1.00 0.00 O ATOM 0 H ASP A 71 -2.937 -6.804 -4.228 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.132 -7.912 -1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.156 -6.552 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.841 -7.768 -3.137 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.018 -10.378 -2.043 1.00 0.00 N ATOM 1077 CA GLY A 72 -1.964 -11.825 -2.153 1.00 0.00 C ATOM 1078 C GLY A 72 -0.918 -12.256 -3.172 1.00 0.00 C ATOM 1079 O GLY A 72 -0.855 -13.431 -3.533 1.00 0.00 O ATOM 0 H GLY A 72 -1.415 -9.990 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.730 -12.259 -1.181 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.942 -12.208 -2.446 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.094 -11.312 -3.635 1.00 0.00 N ATOM 1084 CA ARG A 73 1.052 -11.635 -4.464 1.00 0.00 C ATOM 1085 C ARG A 73 2.115 -12.194 -3.527 1.00 0.00 C ATOM 1086 O ARG A 73 1.974 -12.091 -2.311 1.00 0.00 O ATOM 1087 CB ARG A 73 1.520 -10.400 -5.235 1.00 0.00 C ATOM 1088 CG ARG A 73 2.302 -9.437 -4.337 1.00 0.00 C ATOM 1089 CD ARG A 73 3.798 -9.533 -4.633 1.00 0.00 C ATOM 1090 NE ARG A 73 4.078 -9.011 -5.973 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.956 -9.503 -6.850 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.701 -10.570 -6.567 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.088 -8.915 -8.034 1.00 0.00 N ATOM 0 H ARG A 73 -0.207 -10.316 -3.444 1.00 0.00 H new ATOM 0 HA ARG A 73 0.813 -12.376 -5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.147 -10.709 -6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.657 -9.885 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.957 -8.416 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.116 -9.673 -3.289 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.361 -8.969 -3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.125 -10.570 -4.562 1.00 0.00 H new ATOM 0 HE ARG A 73 3.549 -8.189 -6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.608 -11.031 -5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.365 -10.926 -7.255 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.522 -8.098 -8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.755 -9.281 -8.713 1.00 0.00 H new ATOM 1107 N MET A 74 3.178 -12.780 -4.066 1.00 0.00 N ATOM 1108 CA MET A 74 4.193 -13.399 -3.236 1.00 0.00 C ATOM 1109 C MET A 74 5.490 -12.625 -3.379 1.00 0.00 C ATOM 1110 O MET A 74 6.018 -12.488 -4.482 1.00 0.00 O ATOM 1111 CB MET A 74 4.325 -14.871 -3.609 1.00 0.00 C ATOM 1112 CG MET A 74 5.209 -15.596 -2.595 1.00 0.00 C ATOM 1113 SD MET A 74 4.980 -17.389 -2.592 1.00 0.00 S ATOM 1114 CE MET A 74 3.325 -17.455 -1.850 1.00 0.00 C ATOM 0 H MET A 74 3.355 -12.837 -5.069 1.00 0.00 H new ATOM 0 HA MET A 74 3.914 -13.366 -2.183 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.339 -15.335 -3.640 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.753 -14.964 -4.607 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.254 -15.371 -2.809 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.998 -15.209 -1.598 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.940 -18.473 -1.910 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.382 -17.149 -0.805 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.658 -16.782 -2.389 1.00 0.00 H new ATOM 1124 N ILE A 75 5.997 -12.119 -2.254 1.00 0.00 N ATOM 1125 CA ILE A 75 7.238 -11.364 -2.237 1.00 0.00 C ATOM 1126 C ILE A 75 8.167 -11.927 -1.171 1.00 0.00 C ATOM 1127 O ILE A 75 7.734 -12.222 -0.059 1.00 0.00 O ATOM 1128 CB ILE A 75 6.914 -9.873 -2.061 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.163 -9.184 -3.408 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.729 -9.231 -0.937 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.817 -7.694 -3.396 1.00 0.00 C ATOM 0 H ILE A 75 5.559 -12.223 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 75 7.773 -11.459 -3.182 1.00 0.00 H new ATOM 0 HB ILE A 75 5.872 -9.756 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.211 -9.305 -3.682 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.573 -9.681 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.464 -8.177 -0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.512 -9.737 0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.792 -9.321 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.016 -7.266 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.762 -7.567 -3.152 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.426 -7.185 -2.649 1.00 0.00 H new ATOM 1143 N ALA A 76 9.449 -12.080 -1.513 1.00 0.00 N ATOM 1144 CA ALA A 76 10.434 -12.720 -0.657 1.00 0.00 C ATOM 1145 C ALA A 76 9.995 -14.121 -0.223 1.00 0.00 C ATOM 1146 O ALA A 76 10.527 -14.665 0.743 1.00 0.00 O ATOM 1147 CB ALA A 76 10.765 -11.812 0.525 1.00 0.00 C ATOM 0 H ALA A 76 9.830 -11.757 -2.403 1.00 0.00 H new ATOM 0 HA ALA A 76 11.349 -12.867 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.504 -12.299 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.168 -10.868 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.860 -11.620 1.101 1.00 0.00 H new ATOM 1153 N GLY A 77 9.022 -14.705 -0.929 1.00 0.00 N ATOM 1154 CA GLY A 77 8.501 -16.024 -0.619 1.00 0.00 C ATOM 1155 C GLY A 77 7.340 -15.961 0.373 1.00 0.00 C ATOM 1156 O GLY A 77 6.848 -17.007 0.801 1.00 0.00 O ATOM 0 H GLY A 77 8.576 -14.267 -1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.168 -16.507 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.299 -16.641 -0.205 1.00 0.00 H new ATOM 1160 N GLN A 78 6.902 -14.754 0.742 1.00 0.00 N ATOM 1161 CA GLN A 78 5.820 -14.554 1.688 1.00 0.00 C ATOM 1162 C GLN A 78 4.720 -13.688 1.065 1.00 0.00 C ATOM 1163 O GLN A 78 4.990 -12.631 0.500 1.00 0.00 O ATOM 1164 CB GLN A 78 6.445 -13.956 2.952 1.00 0.00 C ATOM 1165 CG GLN A 78 5.422 -13.483 3.981 1.00 0.00 C ATOM 1166 CD GLN A 78 5.593 -11.986 4.205 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.862 -11.536 5.316 1.00 0.00 O ATOM 1168 NE2 GLN A 78 5.438 -11.204 3.141 1.00 0.00 N ATOM 0 H GLN A 78 7.298 -13.885 0.384 1.00 0.00 H new ATOM 0 HA GLN A 78 5.323 -15.487 1.954 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.092 -14.702 3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.078 -13.115 2.670 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.412 -13.698 3.633 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.557 -14.021 4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.215 -11.615 2.234 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.542 -10.193 3.231 1.00 0.00 H new ATOM 1177 N VAL A 79 3.470 -14.149 1.178 1.00 0.00 N ATOM 1178 CA VAL A 79 2.292 -13.477 0.630 1.00 0.00 C ATOM 1179 C VAL A 79 2.097 -12.118 1.292 1.00 0.00 C ATOM 1180 O VAL A 79 2.293 -11.988 2.501 1.00 0.00 O ATOM 1181 CB VAL A 79 1.056 -14.355 0.863 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.185 -13.733 0.229 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.249 -15.735 0.241 1.00 0.00 C ATOM 0 H VAL A 79 3.247 -15.018 1.663 1.00 0.00 H new ATOM 0 HA VAL A 79 2.435 -13.321 -0.439 1.00 0.00 H new ATOM 0 HB VAL A 79 0.924 -14.439 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.047 -14.376 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.366 -12.752 0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.030 -13.626 -0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.361 -16.341 0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.410 -15.631 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.115 -16.220 0.692 1.00 0.00 H new ATOM 1193 N LEU A 80 1.711 -11.110 0.506 1.00 0.00 N ATOM 1194 CA LEU A 80 1.435 -9.781 1.033 1.00 0.00 C ATOM 1195 C LEU A 80 -0.050 -9.600 1.332 1.00 0.00 C ATOM 1196 O LEU A 80 -0.894 -10.272 0.744 1.00 0.00 O ATOM 1197 CB LEU A 80 1.911 -8.694 0.064 1.00 0.00 C ATOM 1198 CG LEU A 80 3.383 -8.845 -0.323 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.805 -7.604 -1.102 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.275 -8.960 0.910 1.00 0.00 C ATOM 0 H LEU A 80 1.583 -11.195 -0.502 1.00 0.00 H new ATOM 0 HA LEU A 80 1.988 -9.682 1.967 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.299 -8.724 -0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.759 -7.716 0.520 1.00 0.00 H new ATOM 0 HG LEU A 80 3.493 -9.751 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.853 -7.693 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.192 -7.511 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.672 -6.720 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.314 -9.066 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.169 -8.063 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.980 -9.833 1.492 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.357 -8.681 2.251 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.718 -8.321 2.605 1.00 0.00 C ATOM 1214 C ASP A 81 -1.865 -6.815 2.409 1.00 0.00 C ATOM 1215 O ASP A 81 -1.484 -6.021 3.270 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.023 -8.765 4.035 1.00 0.00 C ATOM 1217 CG ASP A 81 -2.196 -10.280 4.112 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -3.086 -10.796 3.399 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -1.442 -10.917 4.879 1.00 0.00 O ATOM 0 H ASP A 81 0.349 -8.163 2.774 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.443 -8.828 1.968 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.215 -8.454 4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.930 -8.273 4.387 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.422 -6.430 1.259 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.458 -5.047 0.807 1.00 0.00 C ATOM 1226 C ILE A 82 -3.892 -4.532 0.832 1.00 0.00 C ATOM 1227 O ILE A 82 -4.822 -5.249 0.459 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.808 -4.977 -0.577 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.320 -5.296 -0.392 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.971 -3.593 -1.211 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.319 -5.739 -1.701 1.00 0.00 C ATOM 0 H ILE A 82 -2.865 -7.082 0.611 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.892 -4.395 1.472 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.290 -5.690 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.198 -4.416 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.205 -6.081 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.496 -3.584 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.031 -3.365 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.502 -2.843 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.374 -5.958 -1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.184 -6.634 -2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.225 -4.943 -2.439 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.076 -3.288 1.276 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.396 -2.701 1.455 1.00 0.00 C ATOM 1245 C ASN A 83 -5.303 -1.181 1.320 1.00 0.00 C ATOM 1246 O ASN A 83 -4.230 -0.612 1.513 1.00 0.00 O ATOM 1247 CB ASN A 83 -5.906 -3.105 2.842 1.00 0.00 C ATOM 1248 CG ASN A 83 -7.373 -2.759 3.025 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -8.251 -3.531 2.644 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -7.655 -1.603 3.609 1.00 0.00 N ATOM 0 H ASN A 83 -3.309 -2.661 1.521 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.091 -3.059 0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.765 -4.176 2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.315 -2.602 3.607 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.627 -1.329 3.755 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.900 -0.987 3.912 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.410 -0.506 0.993 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.432 0.944 0.950 1.00 0.00 C ATOM 1259 C LEU A 84 -6.112 1.497 2.336 1.00 0.00 C ATOM 1260 O LEU A 84 -6.592 0.970 3.337 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.818 1.411 0.501 1.00 0.00 C ATOM 1262 CG LEU A 84 -7.736 2.807 -0.109 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -7.203 2.689 -1.533 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -9.114 3.453 -0.142 1.00 0.00 C ATOM 0 H LEU A 84 -7.298 -0.948 0.756 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.686 1.308 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.226 0.712 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.500 1.418 1.351 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.073 3.425 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.139 3.681 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.212 2.235 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.876 2.067 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.039 4.448 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.788 2.842 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.503 3.532 0.873 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.304 2.557 2.415 1.00 0.00 N ATOM 1277 CA ALA A 85 -4.877 3.100 3.697 1.00 0.00 C ATOM 1278 C ALA A 85 -6.007 3.772 4.483 1.00 0.00 C ATOM 1279 O ALA A 85 -5.746 4.368 5.528 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.730 4.079 3.480 1.00 0.00 C ATOM 0 H ALA A 85 -4.935 3.053 1.604 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.546 2.257 4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.411 4.485 4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.894 3.562 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.063 4.892 2.835 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.252 3.689 4.004 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.371 4.364 4.643 1.00 0.00 C ATOM 1288 C ALA A 86 -9.596 3.461 4.781 1.00 0.00 C ATOM 1289 O ALA A 86 -10.650 3.921 5.220 1.00 0.00 O ATOM 1290 CB ALA A 86 -8.695 5.612 3.827 1.00 0.00 C ATOM 0 H ALA A 86 -7.504 3.157 3.171 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.089 4.637 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.532 6.139 4.285 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.824 6.267 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.960 5.323 2.810 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.470 2.183 4.408 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.577 1.240 4.471 1.00 0.00 C ATOM 1298 C GLU A 87 -10.113 -0.126 4.980 1.00 0.00 C ATOM 1299 O GLU A 87 -10.365 -1.137 4.326 1.00 0.00 O ATOM 1300 CB GLU A 87 -11.249 1.108 3.097 1.00 0.00 C ATOM 1301 CG GLU A 87 -11.853 2.432 2.631 1.00 0.00 C ATOM 1302 CD GLU A 87 -12.639 2.258 1.331 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -12.138 1.545 0.433 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -13.743 2.842 1.245 1.00 0.00 O ATOM 0 H GLU A 87 -8.601 1.781 4.057 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.309 1.627 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.517 0.765 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.030 0.349 3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.510 2.827 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.059 3.164 2.483 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.436 -0.198 6.138 1.00 0.00 N ATOM 1312 CA PRO A 88 -9.022 -1.460 6.718 1.00 0.00 C ATOM 1313 C PRO A 88 -10.257 -2.276 7.073 1.00 0.00 C ATOM 1314 O PRO A 88 -11.333 -1.728 7.318 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.190 -1.112 7.949 1.00 0.00 C ATOM 1316 CG PRO A 88 -8.728 0.266 8.349 1.00 0.00 C ATOM 1317 CD PRO A 88 -9.050 0.906 6.997 1.00 0.00 C ATOM 0 HA PRO A 88 -8.430 -2.064 6.031 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.322 -1.844 8.746 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.125 -1.079 7.720 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.613 0.188 8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.989 0.843 8.905 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.855 1.635 7.088 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.185 1.434 6.595 1.00 0.00 H new ATOM 1325 N LYS A 89 -10.092 -3.599 7.095 1.00 0.00 N ATOM 1326 CA LYS A 89 -11.205 -4.521 7.244 1.00 0.00 C ATOM 1327 C LYS A 89 -10.787 -5.739 8.067 1.00 0.00 C ATOM 1328 O LYS A 89 -10.649 -5.649 9.284 1.00 0.00 O ATOM 1329 CB LYS A 89 -11.759 -4.864 5.849 1.00 0.00 C ATOM 1330 CG LYS A 89 -10.669 -5.154 4.799 1.00 0.00 C ATOM 1331 CD LYS A 89 -11.301 -5.487 3.445 1.00 0.00 C ATOM 1332 CE LYS A 89 -12.059 -4.282 2.887 1.00 0.00 C ATOM 1333 NZ LYS A 89 -12.639 -4.585 1.566 1.00 0.00 N ATOM 0 H LYS A 89 -9.184 -4.055 7.010 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.018 -4.061 7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -12.411 -5.734 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.375 -4.036 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.014 -4.288 4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.048 -5.986 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.526 -5.792 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.982 -6.331 3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.851 -3.995 3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.384 -3.430 2.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.148 -3.750 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.879 -4.836 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.300 -5.383 1.652 1.00 0.00 H new ATOM 1347 N VAL A 90 -10.591 -6.868 7.389 1.00 0.00 N ATOM 1348 CA VAL A 90 -10.241 -8.150 7.990 1.00 0.00 C ATOM 1349 C VAL A 90 -9.047 -8.761 7.265 1.00 0.00 C ATOM 1350 O VAL A 90 -8.283 -9.522 7.851 1.00 0.00 O ATOM 1351 CB VAL A 90 -11.459 -9.075 7.887 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -11.075 -10.539 8.100 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -12.509 -8.670 8.919 1.00 0.00 C ATOM 0 H VAL A 90 -10.675 -6.915 6.374 1.00 0.00 H new ATOM 0 HA VAL A 90 -9.966 -8.013 9.036 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.867 -8.973 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.964 -11.164 8.020 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.351 -10.839 7.343 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.635 -10.659 9.090 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.371 -9.332 8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.084 -8.746 9.920 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.822 -7.642 8.735 1.00 0.00 H new ATOM 1363 N ASN A 91 -8.888 -8.428 5.983 1.00 0.00 N ATOM 1364 CA ASN A 91 -7.843 -8.998 5.154 1.00 0.00 C ATOM 1365 C ASN A 91 -6.471 -8.413 5.496 1.00 0.00 C ATOM 1366 O ASN A 91 -5.462 -8.862 4.959 1.00 0.00 O ATOM 1367 CB ASN A 91 -8.205 -8.775 3.684 1.00 0.00 C ATOM 1368 CG ASN A 91 -9.627 -9.224 3.375 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -10.472 -8.414 3.005 1.00 0.00 O ATOM 1370 ND2 ASN A 91 -9.902 -10.512 3.526 1.00 0.00 N ATOM 0 H ASN A 91 -9.483 -7.756 5.498 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.773 -10.069 5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.097 -7.718 3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.506 -9.322 3.051 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.842 -10.859 3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -9.174 -11.156 3.835 1.00 0.00 H new ATOM 1377 N ARG A 92 -6.432 -7.413 6.387 1.00 0.00 N ATOM 1378 CA ARG A 92 -5.190 -6.812 6.853 1.00 0.00 C ATOM 1379 C ARG A 92 -4.409 -7.811 7.703 1.00 0.00 C ATOM 1380 O ARG A 92 -3.190 -7.924 7.564 1.00 0.00 O ATOM 1381 CB ARG A 92 -5.534 -5.562 7.668 1.00 0.00 C ATOM 1382 CG ARG A 92 -4.284 -4.978 8.329 1.00 0.00 C ATOM 1383 CD ARG A 92 -4.619 -3.702 9.098 1.00 0.00 C ATOM 1384 NE ARG A 92 -5.570 -3.962 10.186 1.00 0.00 N ATOM 1385 CZ ARG A 92 -6.038 -3.015 11.006 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -5.641 -1.752 10.884 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -6.913 -3.331 11.958 1.00 0.00 N ATOM 0 H ARG A 92 -7.268 -7.002 6.802 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.565 -6.535 6.004 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.990 -4.814 7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.270 -5.813 8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.850 -5.713 9.007 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.533 -4.763 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.705 -3.273 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.039 -2.964 8.415 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.892 -4.920 10.324 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.972 -1.496 10.158 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -6.006 -1.039 11.516 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.227 -4.296 12.062 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.270 -2.608 12.583 1.00 0.00 H new ATOM 1401 N GLY A 93 -5.115 -8.531 8.580 1.00 0.00 N ATOM 1402 CA GLY A 93 -4.524 -9.529 9.448 1.00 0.00 C ATOM 1403 C GLY A 93 -3.571 -8.908 10.464 1.00 0.00 C ATOM 1404 O GLY A 93 -3.358 -7.698 10.484 1.00 0.00 O ATOM 0 H GLY A 93 -6.123 -8.429 8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.314 -10.067 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.986 -10.261 8.846 1.00 0.00 H new ATOM 1408 N LYS A 94 -2.998 -9.762 11.313 1.00 0.00 N ATOM 1409 CA LYS A 94 -2.012 -9.360 12.308 1.00 0.00 C ATOM 1410 C LYS A 94 -0.909 -10.402 12.476 1.00 0.00 C ATOM 1411 O LYS A 94 0.157 -10.076 12.994 1.00 0.00 O ATOM 1412 CB LYS A 94 -2.727 -9.137 13.645 1.00 0.00 C ATOM 1413 CG LYS A 94 -3.346 -7.740 13.762 1.00 0.00 C ATOM 1414 CD LYS A 94 -2.259 -6.664 13.844 1.00 0.00 C ATOM 1415 CE LYS A 94 -2.869 -5.306 14.195 1.00 0.00 C ATOM 1416 NZ LYS A 94 -3.704 -4.784 13.098 1.00 0.00 N ATOM 0 H LYS A 94 -3.209 -10.760 11.327 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.536 -8.440 11.969 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.509 -9.887 13.763 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.018 -9.285 14.460 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.988 -7.549 12.902 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.979 -7.692 14.648 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.521 -6.942 14.596 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.734 -6.597 12.891 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.472 -5.400 15.098 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -2.073 -4.595 14.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.603 -4.430 13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.203 -4.008 12.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.896 -5.545 12.416 1.00 0.00 H new ATOM 1430 N ALA A 95 -1.148 -11.646 12.048 1.00 0.00 N ATOM 1431 CA ALA A 95 -0.141 -12.694 12.137 1.00 0.00 C ATOM 1432 C ALA A 95 -0.329 -13.764 11.060 1.00 0.00 C ATOM 1433 O ALA A 95 -0.032 -14.939 11.281 1.00 0.00 O ATOM 1434 CB ALA A 95 -0.174 -13.300 13.540 1.00 0.00 C ATOM 0 H ALA A 95 -2.032 -11.946 11.637 1.00 0.00 H new ATOM 0 HA ALA A 95 0.840 -12.253 11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.578 -14.086 13.615 1.00 0.00 H new ATOM 0 HB2 ALA A 95 0.037 -12.525 14.276 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.161 -13.722 13.731 1.00 0.00 H new ATOM 1440 N GLY A 96 -0.822 -13.357 9.889 1.00 0.00 N ATOM 1441 CA GLY A 96 -1.078 -14.261 8.778 1.00 0.00 C ATOM 1442 C GLY A 96 -2.364 -15.057 8.977 1.00 0.00 C ATOM 1443 O GLY A 96 -2.707 -15.891 8.141 1.00 0.00 O ATOM 0 H GLY A 96 -1.055 -12.384 9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.145 -13.689 7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.239 -14.948 8.668 1.00 0.00 H new ATOM 1447 N VAL A 97 -3.078 -14.801 10.079 1.00 0.00 N ATOM 1448 CA VAL A 97 -4.351 -15.443 10.364 1.00 0.00 C ATOM 1449 C VAL A 97 -5.472 -14.411 10.296 1.00 0.00 C ATOM 1450 O VAL A 97 -5.321 -13.288 10.775 1.00 0.00 O ATOM 1451 CB VAL A 97 -4.285 -16.179 11.711 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -4.053 -15.215 12.875 1.00 0.00 C ATOM 1453 CG2 VAL A 97 -5.575 -16.957 11.964 1.00 0.00 C ATOM 0 H VAL A 97 -2.782 -14.139 10.796 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.568 -16.200 9.611 1.00 0.00 H new ATOM 0 HB VAL A 97 -3.442 -16.867 11.654 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.013 -15.775 13.809 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.111 -14.687 12.728 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.870 -14.495 12.919 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.508 -17.471 12.923 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.419 -16.267 11.980 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.720 -17.689 11.169 1.00 0.00 H new ATOM 1463 N LYS A 98 -6.599 -14.807 9.694 1.00 0.00 N ATOM 1464 CA LYS A 98 -7.766 -13.947 9.519 1.00 0.00 C ATOM 1465 C LYS A 98 -9.012 -14.598 10.112 1.00 0.00 C ATOM 1466 O LYS A 98 -10.132 -14.159 9.862 1.00 0.00 O ATOM 1467 CB LYS A 98 -7.927 -13.637 8.028 1.00 0.00 C ATOM 1468 CG LYS A 98 -6.681 -12.919 7.501 1.00 0.00 C ATOM 1469 CD LYS A 98 -6.702 -12.881 5.977 1.00 0.00 C ATOM 1470 CE LYS A 98 -5.435 -12.179 5.485 1.00 0.00 C ATOM 1471 NZ LYS A 98 -5.354 -12.189 4.014 1.00 0.00 N ATOM 0 H LYS A 98 -6.724 -15.744 9.312 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.625 -13.009 10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.086 -14.561 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.808 -13.015 7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.642 -11.904 7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.783 -13.431 7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.754 -13.893 5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.588 -12.352 5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.424 -11.150 5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.558 -12.673 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.560 -11.592 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.204 -13.163 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.240 -11.819 3.615 1.00 0.00 H new ATOM 1485 N ARG A 99 -8.803 -15.654 10.901 1.00 0.00 N ATOM 1486 CA ARG A 99 -9.849 -16.422 11.558 1.00 0.00 C ATOM 1487 C ARG A 99 -9.907 -16.046 13.038 1.00 0.00 C ATOM 1488 O ARG A 99 -9.111 -15.229 13.504 1.00 0.00 O ATOM 1489 CB ARG A 99 -9.535 -17.910 11.347 1.00 0.00 C ATOM 1490 CG ARG A 99 -10.727 -18.855 11.520 1.00 0.00 C ATOM 1491 CD ARG A 99 -11.718 -18.767 10.355 1.00 0.00 C ATOM 1492 NE ARG A 99 -12.512 -17.532 10.368 1.00 0.00 N ATOM 1493 CZ ARG A 99 -13.515 -17.274 11.212 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -13.876 -18.154 12.142 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -14.168 -16.117 11.130 1.00 0.00 N ATOM 0 H ARG A 99 -7.867 -16.005 11.103 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.831 -16.206 11.137 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -9.129 -18.041 10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -8.753 -18.204 12.048 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.365 -19.879 11.608 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.243 -18.618 12.450 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.171 -18.830 9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -12.390 -19.625 10.391 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.280 -16.816 9.680 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.384 -19.044 12.220 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.644 -17.938 12.777 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.902 -15.430 10.424 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.934 -15.917 11.773 1.00 0.00 H new ATOM 1509 N SER A 100 -10.843 -16.638 13.783 1.00 0.00 N ATOM 1510 CA SER A 100 -10.986 -16.417 15.214 1.00 0.00 C ATOM 1511 C SER A 100 -9.725 -16.807 15.978 1.00 0.00 C ATOM 1512 O SER A 100 -9.537 -16.359 17.107 1.00 0.00 O ATOM 1513 CB SER A 100 -12.157 -17.260 15.712 1.00 0.00 C ATOM 1514 OG SER A 100 -13.361 -16.788 15.143 1.00 0.00 O ATOM 0 H SER A 100 -11.528 -17.290 13.401 1.00 0.00 H new ATOM 0 HA SER A 100 -11.161 -15.355 15.387 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.004 -18.306 15.446 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.215 -17.213 16.799 1.00 0.00 H new ATOM 0 HG SER A 100 -14.110 -17.333 15.464 1.00 0.00 H new ATOM 1520 N ALA A 101 -8.864 -17.635 15.368 1.00 0.00 N ATOM 1521 CA ALA A 101 -7.640 -18.139 15.983 1.00 0.00 C ATOM 1522 C ALA A 101 -7.892 -18.782 17.352 1.00 0.00 C ATOM 1523 O ALA A 101 -6.965 -18.943 18.147 1.00 0.00 O ATOM 1524 CB ALA A 101 -6.589 -17.030 16.033 1.00 0.00 C ATOM 0 H ALA A 101 -9.007 -17.975 14.417 1.00 0.00 H new ATOM 0 HA ALA A 101 -7.250 -18.944 15.360 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.678 -17.413 16.493 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.369 -16.691 15.021 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.969 -16.195 16.621 1.00 0.00 H new ATOM 1530 N ALA A 102 -9.147 -19.151 17.627 1.00 0.00 N ATOM 1531 CA ALA A 102 -9.552 -19.736 18.896 1.00 0.00 C ATOM 1532 C ALA A 102 -10.734 -20.697 18.721 1.00 0.00 C ATOM 1533 O ALA A 102 -11.295 -21.165 19.707 1.00 0.00 O ATOM 1534 CB ALA A 102 -9.912 -18.610 19.862 1.00 0.00 C ATOM 0 H ALA A 102 -9.914 -19.048 16.963 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.724 -20.319 19.298 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.218 -19.035 20.818 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.044 -17.967 20.011 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.731 -18.023 19.447 1.00 0.00 H new ATOM 1540 N GLU A 103 -11.115 -20.993 17.472 1.00 0.00 N ATOM 1541 CA GLU A 103 -12.281 -21.819 17.192 1.00 0.00 C ATOM 1542 C GLU A 103 -11.981 -23.316 17.309 1.00 0.00 C ATOM 1543 O GLU A 103 -12.896 -24.133 17.214 1.00 0.00 O ATOM 1544 CB GLU A 103 -12.825 -21.493 15.801 1.00 0.00 C ATOM 1545 CG GLU A 103 -11.805 -21.820 14.708 1.00 0.00 C ATOM 1546 CD GLU A 103 -12.423 -21.668 13.320 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -12.877 -20.547 13.009 1.00 0.00 O ATOM 1548 OE2 GLU A 103 -12.432 -22.675 12.578 1.00 0.00 O ATOM 0 H GLU A 103 -10.625 -20.667 16.639 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.034 -21.587 17.945 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.741 -22.058 15.626 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -13.088 -20.436 15.750 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.943 -21.159 14.801 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.441 -22.839 14.838 1.00 0.00 H new ATOM 1555 N MET A 104 -10.709 -23.677 17.511 1.00 0.00 N ATOM 1556 CA MET A 104 -10.280 -25.068 17.578 1.00 0.00 C ATOM 1557 C MET A 104 -9.384 -25.349 18.784 1.00 0.00 C ATOM 1558 O MET A 104 -8.772 -26.412 18.865 1.00 0.00 O ATOM 1559 CB MET A 104 -9.581 -25.438 16.269 1.00 0.00 C ATOM 1560 CG MET A 104 -8.311 -24.614 16.060 1.00 0.00 C ATOM 1561 SD MET A 104 -7.440 -24.974 14.512 1.00 0.00 S ATOM 1562 CE MET A 104 -8.672 -24.393 13.318 1.00 0.00 C ATOM 0 H MET A 104 -9.950 -23.007 17.632 1.00 0.00 H new ATOM 0 HA MET A 104 -11.164 -25.692 17.711 1.00 0.00 H new ATOM 0 HB2 MET A 104 -9.331 -26.499 16.276 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.262 -25.277 15.433 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.570 -23.556 16.080 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.634 -24.792 16.895 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.204 -24.273 12.341 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.480 -25.121 13.246 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.075 -23.435 13.648 1.00 0.00 H new ATOM 1572 N TYR A 105 -9.305 -24.399 19.722 1.00 0.00 N ATOM 1573 CA TYR A 105 -8.475 -24.524 20.914 1.00 0.00 C ATOM 1574 C TYR A 105 -9.327 -24.651 22.182 1.00 0.00 C ATOM 1575 O TYR A 105 -8.788 -24.660 23.289 1.00 0.00 O ATOM 1576 CB TYR A 105 -7.522 -23.331 21.009 1.00 0.00 C ATOM 1577 CG TYR A 105 -6.616 -23.166 19.807 1.00 0.00 C ATOM 1578 CD1 TYR A 105 -7.079 -22.475 18.675 1.00 0.00 C ATOM 1579 CD2 TYR A 105 -5.316 -23.691 19.827 1.00 0.00 C ATOM 1580 CE1 TYR A 105 -6.241 -22.294 17.568 1.00 0.00 C ATOM 1581 CE2 TYR A 105 -4.475 -23.519 18.720 1.00 0.00 C ATOM 1582 CZ TYR A 105 -4.931 -22.819 17.586 1.00 0.00 C ATOM 1583 OH TYR A 105 -4.108 -22.651 16.511 1.00 0.00 O ATOM 0 H TYR A 105 -9.819 -23.520 19.671 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.888 -25.439 20.830 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.108 -22.421 21.136 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -6.907 -23.441 21.902 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -8.085 -22.082 18.659 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -4.963 -24.228 20.695 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -6.596 -21.754 16.703 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.474 -23.924 18.736 1.00 0.00 H new ATOM 0 HH TYR A 105 -3.243 -23.074 16.692 1.00 0.00 H new ATOM 1593 N GLY A 106 -10.650 -24.751 22.026 1.00 0.00 N ATOM 1594 CA GLY A 106 -11.571 -24.879 23.145 1.00 0.00 C ATOM 1595 C GLY A 106 -13.010 -24.974 22.654 1.00 0.00 C ATOM 1596 O GLY A 106 -13.258 -24.936 21.450 1.00 0.00 O ATOM 1597 OXT GLY A 106 -13.939 -25.091 23.434 1.00 0.00 O ATOM 0 H GLY A 106 -11.108 -24.745 21.115 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.322 -25.766 23.727 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.465 -24.021 23.809 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 4.170 -5.909 10.843 1.00 0.00 O ATOM 1603 C5' U B 1 2.828 -5.791 11.259 1.00 0.00 C ATOM 1604 C4' U B 1 2.060 -4.868 10.308 1.00 0.00 C ATOM 1605 O4' U B 1 1.882 -5.421 9.017 1.00 0.00 O ATOM 1606 C3' U B 1 0.663 -4.677 10.872 1.00 0.00 C ATOM 1607 O3' U B 1 0.230 -3.370 10.590 1.00 0.00 O ATOM 1608 C2' U B 1 -0.171 -5.733 10.161 1.00 0.00 C ATOM 1609 O2' U B 1 -1.380 -5.201 9.659 1.00 0.00 O ATOM 1610 C1' U B 1 0.704 -6.203 9.004 1.00 0.00 C ATOM 1611 N1 U B 1 0.932 -7.670 9.123 1.00 0.00 N ATOM 1612 C2 U B 1 2.218 -8.215 9.118 1.00 0.00 C ATOM 1613 O2 U B 1 3.245 -7.554 8.985 1.00 0.00 O ATOM 1614 N3 U B 1 2.309 -9.586 9.269 1.00 0.00 N ATOM 1615 C4 U B 1 1.251 -10.466 9.365 1.00 0.00 C ATOM 1616 O4 U B 1 1.453 -11.671 9.472 1.00 0.00 O ATOM 1617 C5 U B 1 -0.042 -9.828 9.327 1.00 0.00 C ATOM 1618 C6 U B 1 -0.156 -8.486 9.230 1.00 0.00 C ATOM 0 H5' U B 1 2.787 -5.395 12.274 1.00 0.00 H new ATOM 0 H5'' U B 1 2.359 -6.774 11.281 1.00 0.00 H new ATOM 0 H4' U B 1 2.638 -3.948 10.223 1.00 0.00 H new ATOM 0 H3' U B 1 0.597 -4.792 11.954 1.00 0.00 H new ATOM 0 H2' U B 1 -0.452 -6.536 10.843 1.00 0.00 H new ATOM 0 HO2' U B 1 -1.847 -4.719 10.373 1.00 0.00 H new ATOM 0 HO5' U B 1 4.223 -6.518 10.077 1.00 0.00 H new ATOM 0 H1' U B 1 0.231 -6.061 8.032 1.00 0.00 H new ATOM 0 H3 U B 1 3.247 -9.985 9.314 1.00 0.00 H new ATOM 0 H5 U B 1 -0.934 -10.434 9.377 1.00 0.00 H new ATOM 0 H6 U B 1 -1.141 -8.044 9.237 1.00 0.00 H new ATOM 1629 P U B 2 -0.838 -2.647 11.535 1.00 0.00 P ATOM 1630 OP1 U B 2 -0.258 -2.523 12.892 1.00 0.00 O ATOM 1631 OP2 U B 2 -2.151 -3.309 11.356 1.00 0.00 O ATOM 1632 O5' U B 2 -0.891 -1.188 10.869 1.00 0.00 O ATOM 1633 C5' U B 2 0.298 -0.444 10.702 1.00 0.00 C ATOM 1634 C4' U B 2 -0.001 0.994 10.292 1.00 0.00 C ATOM 1635 O4' U B 2 -0.612 1.026 9.010 1.00 0.00 O ATOM 1636 C3' U B 2 -0.965 1.634 11.293 1.00 0.00 C ATOM 1637 O3' U B 2 -0.642 2.997 11.502 1.00 0.00 O ATOM 1638 C2' U B 2 -2.303 1.474 10.581 1.00 0.00 C ATOM 1639 O2' U B 2 -3.251 2.444 10.985 1.00 0.00 O ATOM 1640 C1' U B 2 -1.880 1.645 9.131 1.00 0.00 C ATOM 1641 N1 U B 2 -2.860 1.058 8.194 1.00 0.00 N ATOM 1642 C2 U B 2 -3.634 1.942 7.452 1.00 0.00 C ATOM 1643 O2 U B 2 -3.518 3.164 7.552 1.00 0.00 O ATOM 1644 N3 U B 2 -4.558 1.383 6.587 1.00 0.00 N ATOM 1645 C4 U B 2 -4.765 0.027 6.398 1.00 0.00 C ATOM 1646 O4 U B 2 -5.616 -0.373 5.609 1.00 0.00 O ATOM 1647 C5 U B 2 -3.910 -0.819 7.199 1.00 0.00 C ATOM 1648 C6 U B 2 -3.003 -0.300 8.059 1.00 0.00 C ATOM 0 H5' U B 2 0.923 -0.918 9.945 1.00 0.00 H new ATOM 0 H5'' U B 2 0.866 -0.449 11.632 1.00 0.00 H new ATOM 0 H4' U B 2 0.941 1.542 10.270 1.00 0.00 H new ATOM 0 H3' U B 2 -0.945 1.186 12.286 1.00 0.00 H new ATOM 0 H2' U B 2 -2.810 0.532 10.791 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.788 3.197 11.409 1.00 0.00 H new ATOM 0 H1' U B 2 -1.828 2.702 8.870 1.00 0.00 H new ATOM 0 H3 U B 2 -5.135 2.024 6.043 1.00 0.00 H new ATOM 0 H5 U B 2 -3.997 -1.892 7.109 1.00 0.00 H new ATOM 0 H6 U B 2 -2.384 -0.963 8.646 1.00 0.00 H new ATOM 1659 P U B 3 0.567 3.443 12.475 1.00 0.00 P ATOM 1660 OP1 U B 3 1.107 2.231 13.131 1.00 0.00 O ATOM 1661 OP2 U B 3 0.074 4.563 13.311 1.00 0.00 O ATOM 1662 O5' U B 3 1.698 4.031 11.485 1.00 0.00 O ATOM 1663 C5' U B 3 2.863 3.301 11.165 1.00 0.00 C ATOM 1664 C4' U B 3 3.785 4.100 10.236 1.00 0.00 C ATOM 1665 O4' U B 3 3.225 4.185 8.933 1.00 0.00 O ATOM 1666 C3' U B 3 4.005 5.522 10.750 1.00 0.00 C ATOM 1667 O3' U B 3 5.334 5.909 10.452 1.00 0.00 O ATOM 1668 C2' U B 3 2.981 6.315 9.950 1.00 0.00 C ATOM 1669 O2' U B 3 3.390 7.652 9.734 1.00 0.00 O ATOM 1670 C1' U B 3 2.905 5.534 8.641 1.00 0.00 C ATOM 1671 N1 U B 3 1.559 5.644 8.038 1.00 0.00 N ATOM 1672 C2 U B 3 1.448 6.278 6.809 1.00 0.00 C ATOM 1673 O2 U B 3 2.420 6.743 6.216 1.00 0.00 O ATOM 1674 N3 U B 3 0.176 6.365 6.274 1.00 0.00 N ATOM 1675 C4 U B 3 -0.985 5.883 6.853 1.00 0.00 C ATOM 1676 O4 U B 3 -2.065 6.012 6.282 1.00 0.00 O ATOM 1677 C5 U B 3 -0.784 5.247 8.134 1.00 0.00 C ATOM 1678 C6 U B 3 0.452 5.143 8.675 1.00 0.00 C ATOM 0 H5' U B 3 2.586 2.362 10.686 1.00 0.00 H new ATOM 0 H5'' U B 3 3.398 3.046 12.080 1.00 0.00 H new ATOM 0 H4' U B 3 4.739 3.574 10.208 1.00 0.00 H new ATOM 0 H3' U B 3 3.883 5.659 11.824 1.00 0.00 H new ATOM 0 H2' U B 3 2.022 6.407 10.460 1.00 0.00 H new ATOM 0 HO2' U B 3 3.877 7.976 10.520 1.00 0.00 H new ATOM 0 H1' U B 3 3.608 5.940 7.914 1.00 0.00 H new ATOM 0 H3 U B 3 0.085 6.827 5.369 1.00 0.00 H new ATOM 0 H5 U B 3 -1.633 4.848 8.669 1.00 0.00 H new ATOM 0 H6 U B 3 0.570 4.654 9.631 1.00 0.00 H new ATOM 1689 P U B 4 6.133 6.931 11.405 1.00 0.00 P ATOM 1690 OP1 U B 4 6.429 6.242 12.682 1.00 0.00 O ATOM 1691 OP2 U B 4 5.405 8.221 11.423 1.00 0.00 O ATOM 1692 O5' U B 4 7.515 7.137 10.602 1.00 0.00 O ATOM 1693 C5' U B 4 8.438 6.073 10.481 1.00 0.00 C ATOM 1694 C4' U B 4 9.568 6.429 9.511 1.00 0.00 C ATOM 1695 O4' U B 4 9.026 6.711 8.227 1.00 0.00 O ATOM 1696 C3' U B 4 10.330 7.664 9.991 1.00 0.00 C ATOM 1697 O3' U B 4 11.708 7.579 9.678 1.00 0.00 O ATOM 1698 C2' U B 4 9.674 8.778 9.192 1.00 0.00 C ATOM 1699 O2' U B 4 10.569 9.850 8.965 1.00 0.00 O ATOM 1700 C1' U B 4 9.246 8.077 7.906 1.00 0.00 C ATOM 1701 N1 U B 4 8.038 8.752 7.386 1.00 0.00 N ATOM 1702 C2 U B 4 8.237 9.857 6.570 1.00 0.00 C ATOM 1703 O2 U B 4 9.353 10.240 6.232 1.00 0.00 O ATOM 1704 N3 U B 4 7.098 10.518 6.149 1.00 0.00 N ATOM 1705 C4 U B 4 5.794 10.142 6.422 1.00 0.00 C ATOM 1706 O4 U B 4 4.858 10.786 5.966 1.00 0.00 O ATOM 1707 C5 U B 4 5.678 8.973 7.258 1.00 0.00 C ATOM 1708 C6 U B 4 6.776 8.325 7.705 1.00 0.00 C ATOM 0 H5' U B 4 7.922 5.179 10.131 1.00 0.00 H new ATOM 0 H5'' U B 4 8.856 5.837 11.460 1.00 0.00 H new ATOM 0 H4' U B 4 10.249 5.580 9.462 1.00 0.00 H new ATOM 0 H3' U B 4 10.286 7.802 11.071 1.00 0.00 H new ATOM 0 H2' U B 4 8.833 9.245 9.705 1.00 0.00 H new ATOM 0 HO2' U B 4 10.380 10.255 8.093 1.00 0.00 H new ATOM 0 H1' U B 4 10.002 8.127 7.122 1.00 0.00 H new ATOM 0 H3 U B 4 7.230 11.359 5.587 1.00 0.00 H new ATOM 0 H5 U B 4 4.698 8.610 7.531 1.00 0.00 H new ATOM 0 H6 U B 4 6.656 7.451 8.328 1.00 0.00 H new ATOM 1719 P C B 5 12.686 6.589 10.490 1.00 0.00 P ATOM 1720 OP1 C B 5 11.981 6.138 11.712 1.00 0.00 O ATOM 1721 OP2 C B 5 14.008 7.246 10.608 1.00 0.00 O ATOM 1722 O5' C B 5 12.838 5.326 9.506 1.00 0.00 O ATOM 1723 C5' C B 5 13.653 5.415 8.352 1.00 0.00 C ATOM 1724 C4' C B 5 13.778 4.057 7.663 1.00 0.00 C ATOM 1725 O4' C B 5 14.479 3.128 8.482 1.00 0.00 O ATOM 1726 C3' C B 5 12.421 3.440 7.317 1.00 0.00 C ATOM 1727 O3' C B 5 12.023 3.688 5.981 1.00 0.00 O ATOM 1728 C2' C B 5 12.682 1.958 7.548 1.00 0.00 C ATOM 1729 O2' C B 5 13.361 1.372 6.454 1.00 0.00 O ATOM 1730 C1' C B 5 13.639 2.013 8.737 1.00 0.00 C ATOM 1731 N1 C B 5 12.970 2.195 10.056 1.00 0.00 N ATOM 1732 C2 C B 5 13.793 2.243 11.179 1.00 0.00 C ATOM 1733 O2 C B 5 15.015 2.139 11.067 1.00 0.00 O ATOM 1734 N3 C B 5 13.232 2.409 12.404 1.00 0.00 N ATOM 1735 C4 C B 5 11.909 2.510 12.532 1.00 0.00 C ATOM 1736 N4 C B 5 11.408 2.670 13.755 1.00 0.00 N ATOM 1737 C5 C B 5 11.036 2.450 11.406 1.00 0.00 C ATOM 1738 C6 C B 5 11.607 2.291 10.190 1.00 0.00 C ATOM 0 H5' C B 5 14.643 5.779 8.629 1.00 0.00 H new ATOM 0 H5'' C B 5 13.229 6.141 7.658 1.00 0.00 H new ATOM 0 H4' C B 5 14.326 4.250 6.741 1.00 0.00 H new ATOM 0 H3' C B 5 11.606 3.854 7.910 1.00 0.00 H new ATOM 0 H2' C B 5 11.770 1.378 7.691 1.00 0.00 H new ATOM 0 HO2' C B 5 13.206 1.907 5.648 1.00 0.00 H new ATOM 0 HO3' C B 5 11.265 3.110 5.753 1.00 0.00 H new ATOM 0 H1' C B 5 14.166 1.062 8.817 1.00 0.00 H new ATOM 0 H41 C B 5 10.400 2.751 13.887 1.00 0.00 H new ATOM 0 H42 C B 5 12.032 2.712 14.560 1.00 0.00 H new ATOM 0 H5 C B 5 9.965 2.528 11.519 1.00 0.00 H new ATOM 0 H6 C B 5 10.981 2.239 9.311 1.00 0.00 H new TER 1750 C B 5