USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 883 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 13 GLN :FLIP amide:sc= 0.304 F(o=-0.037,f=0.63) USER MOD Set 1.2: A 54 HIS : no HD1:sc= 0.33 K(o=0.63,f=-0.039) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot 81:sc= 0.611 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.38 (180deg=0.592) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -165:sc= -0.0381 (180deg=-0.254) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 138:sc= -0.453 (180deg=-2.65!) USER MOD Single : A 22 SER OG : rot 75:sc= 1.14 USER MOD Single : A 23 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.7) USER MOD Single : A 28 SER OG : rot -85:sc= 0.835 USER MOD Single : A 29 GLN : amide:sc= -1.97! X(o=-2!,f=-1.6) USER MOD Single : A 32 THR OG1 : rot -49:sc= 0.455 USER MOD Single : A 34 CYS SG : rot 70:sc= 1.25 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= -0.0112 (180deg=-0.176) USER MOD Single : A 42 CYS SG : rot 175:sc= -0.504 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -178:sc= -2.17! USER MOD Single : A 53 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.2) USER MOD Single : A 58 THR OG1 : rot 103:sc= 1.27 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -137:sc= -0.1 (180deg=-0.521) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 86 SER OG : rot -147:sc= 0.765 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0879 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= -0.133 (180deg=-0.526) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -170:sc=-0.00413 (180deg=-0.171) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.065 -23.841 0.785 1.00 0.00 N ATOM 2 CA MET A 1 14.221 -23.143 1.392 1.00 0.00 C ATOM 3 C MET A 1 13.902 -21.672 1.647 1.00 0.00 C ATOM 4 O MET A 1 13.485 -21.296 2.747 1.00 0.00 O ATOM 5 CB MET A 1 15.466 -23.236 0.496 1.00 0.00 C ATOM 6 CG MET A 1 16.033 -24.636 0.332 1.00 0.00 C ATOM 7 SD MET A 1 14.989 -25.710 -0.667 1.00 0.00 S ATOM 8 CE MET A 1 16.007 -27.187 -0.740 1.00 0.00 C ATOM 0 H1 MET A 1 13.406 -24.603 0.165 1.00 0.00 H new ATOM 0 H2 MET A 1 12.471 -24.246 1.536 1.00 0.00 H new ATOM 0 H3 MET A 1 12.505 -23.165 0.227 1.00 0.00 H new ATOM 0 HA MET A 1 14.427 -23.639 2.341 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.217 -22.843 -0.490 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.242 -22.592 0.909 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.020 -24.570 -0.126 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.168 -25.084 1.316 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.498 -27.951 -1.327 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.962 -26.948 -1.207 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.180 -27.560 0.269 1.00 0.00 H new ATOM 20 N THR A 2 14.076 -20.843 0.622 1.00 0.00 N ATOM 21 CA THR A 2 13.935 -19.405 0.776 1.00 0.00 C ATOM 22 C THR A 2 12.492 -18.954 0.568 1.00 0.00 C ATOM 23 O THR A 2 11.994 -18.919 -0.556 1.00 0.00 O ATOM 24 CB THR A 2 14.853 -18.650 -0.207 1.00 0.00 C ATOM 25 OG1 THR A 2 16.194 -19.147 -0.099 1.00 0.00 O ATOM 26 CG2 THR A 2 14.844 -17.154 0.079 1.00 0.00 C ATOM 0 H THR A 2 14.315 -21.145 -0.322 1.00 0.00 H new ATOM 0 HA THR A 2 14.229 -19.167 1.798 1.00 0.00 H new ATOM 0 HB THR A 2 14.478 -18.814 -1.217 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.773 -18.666 -0.726 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.499 -16.645 -0.628 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.829 -16.770 -0.025 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.197 -16.976 1.095 1.00 0.00 H new ATOM 34 N LYS A 3 11.820 -18.652 1.664 1.00 0.00 N ATOM 35 CA LYS A 3 10.523 -18.000 1.607 1.00 0.00 C ATOM 36 C LYS A 3 10.661 -16.600 2.180 1.00 0.00 C ATOM 37 O LYS A 3 10.526 -15.610 1.462 1.00 0.00 O ATOM 38 CB LYS A 3 9.465 -18.802 2.373 1.00 0.00 C ATOM 39 CG LYS A 3 8.094 -18.141 2.395 1.00 0.00 C ATOM 40 CD LYS A 3 7.044 -19.047 3.018 1.00 0.00 C ATOM 41 CE LYS A 3 6.784 -20.282 2.164 1.00 0.00 C ATOM 42 NZ LYS A 3 6.243 -19.932 0.824 1.00 0.00 N ATOM 0 H LYS A 3 12.152 -18.848 2.608 1.00 0.00 H new ATOM 0 HA LYS A 3 10.191 -17.943 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.375 -19.791 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.805 -18.948 3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.149 -17.208 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.797 -17.885 1.378 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.372 -19.354 4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 3 6.115 -18.492 3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.712 -20.842 2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.081 -20.937 2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.846 -20.783 0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.497 -19.215 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 7.007 -19.553 0.229 1.00 0.00 H new ATOM 56 N ASN A 4 10.959 -16.533 3.473 1.00 0.00 N ATOM 57 CA ASN A 4 11.271 -15.274 4.141 1.00 0.00 C ATOM 58 C ASN A 4 11.638 -15.543 5.592 1.00 0.00 C ATOM 59 O ASN A 4 10.827 -16.067 6.356 1.00 0.00 O ATOM 60 CB ASN A 4 10.090 -14.293 4.073 1.00 0.00 C ATOM 61 CG ASN A 4 10.470 -12.904 4.557 1.00 0.00 C ATOM 62 OD1 ASN A 4 10.285 -12.562 5.726 1.00 0.00 O ATOM 63 ND2 ASN A 4 11.014 -12.095 3.659 1.00 0.00 N ATOM 0 H ASN A 4 10.991 -17.347 4.086 1.00 0.00 H new ATOM 0 HA ASN A 4 12.116 -14.816 3.626 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.729 -14.232 3.046 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.268 -14.674 4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.296 -11.152 3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 4 11.151 -12.415 2.700 1.00 0.00 H new ATOM 70 N THR A 5 12.871 -15.226 5.953 1.00 0.00 N ATOM 71 CA THR A 5 13.333 -15.407 7.318 1.00 0.00 C ATOM 72 C THR A 5 12.524 -14.522 8.260 1.00 0.00 C ATOM 73 O THR A 5 12.474 -13.300 8.091 1.00 0.00 O ATOM 74 CB THR A 5 14.835 -15.081 7.454 1.00 0.00 C ATOM 75 OG1 THR A 5 15.574 -15.718 6.397 1.00 0.00 O ATOM 76 CG2 THR A 5 15.368 -15.559 8.795 1.00 0.00 C ATOM 0 H THR A 5 13.570 -14.841 5.318 1.00 0.00 H new ATOM 0 HA THR A 5 13.190 -16.454 7.585 1.00 0.00 H new ATOM 0 HB THR A 5 14.957 -14.000 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.526 -15.505 6.489 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.429 -15.320 8.871 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.825 -15.063 9.600 1.00 0.00 H new ATOM 0 HG23 THR A 5 15.233 -16.637 8.877 1.00 0.00 H new ATOM 84 N ARG A 6 11.883 -15.141 9.239 1.00 0.00 N ATOM 85 CA ARG A 6 10.969 -14.431 10.121 1.00 0.00 C ATOM 86 C ARG A 6 11.708 -13.513 11.085 1.00 0.00 C ATOM 87 O ARG A 6 12.260 -13.958 12.090 1.00 0.00 O ATOM 88 CB ARG A 6 10.078 -15.399 10.909 1.00 0.00 C ATOM 89 CG ARG A 6 8.853 -15.888 10.143 1.00 0.00 C ATOM 90 CD ARG A 6 9.215 -16.849 9.019 1.00 0.00 C ATOM 91 NE ARG A 6 9.968 -18.003 9.511 1.00 0.00 N ATOM 92 CZ ARG A 6 9.413 -19.103 10.020 1.00 0.00 C ATOM 93 NH1 ARG A 6 8.089 -19.217 10.082 1.00 0.00 N ATOM 94 NH2 ARG A 6 10.187 -20.089 10.461 1.00 0.00 N ATOM 0 H ARG A 6 11.979 -16.136 9.443 1.00 0.00 H new ATOM 0 HA ARG A 6 10.337 -13.818 9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.674 -16.262 11.208 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.748 -14.907 11.824 1.00 0.00 H new ATOM 0 HG2 ARG A 6 8.170 -16.382 10.834 1.00 0.00 H new ATOM 0 HG3 ARG A 6 8.322 -15.031 9.728 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.305 -17.192 8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 6 9.805 -16.324 8.268 1.00 0.00 H new ATOM 0 HE ARG A 6 10.986 -17.963 9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.495 -18.461 9.739 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.667 -20.060 10.472 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.202 -20.003 10.409 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.766 -20.932 10.851 1.00 0.00 H new ATOM 108 N PHE A 7 11.739 -12.237 10.745 1.00 0.00 N ATOM 109 CA PHE A 7 12.198 -11.202 11.654 1.00 0.00 C ATOM 110 C PHE A 7 11.105 -10.164 11.808 1.00 0.00 C ATOM 111 O PHE A 7 10.384 -9.876 10.851 1.00 0.00 O ATOM 112 CB PHE A 7 13.481 -10.536 11.148 1.00 0.00 C ATOM 113 CG PHE A 7 14.711 -11.383 11.314 1.00 0.00 C ATOM 114 CD1 PHE A 7 15.222 -11.642 12.575 1.00 0.00 C ATOM 115 CD2 PHE A 7 15.356 -11.912 10.211 1.00 0.00 C ATOM 116 CE1 PHE A 7 16.357 -12.415 12.732 1.00 0.00 C ATOM 117 CE2 PHE A 7 16.492 -12.683 10.360 1.00 0.00 C ATOM 118 CZ PHE A 7 16.992 -12.936 11.622 1.00 0.00 C ATOM 0 H PHE A 7 11.447 -11.889 9.832 1.00 0.00 H new ATOM 0 HA PHE A 7 12.423 -11.661 12.617 1.00 0.00 H new ATOM 0 HB2 PHE A 7 13.360 -10.291 10.093 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.625 -9.595 11.679 1.00 0.00 H new ATOM 0 HD1 PHE A 7 14.728 -11.235 13.445 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.967 -11.720 9.222 1.00 0.00 H new ATOM 0 HE1 PHE A 7 16.746 -12.611 13.720 1.00 0.00 H new ATOM 0 HE2 PHE A 7 16.989 -13.088 9.491 1.00 0.00 H new ATOM 0 HZ PHE A 7 17.879 -13.541 11.741 1.00 0.00 H new ATOM 128 N SER A 8 10.959 -9.624 13.004 1.00 0.00 N ATOM 129 CA SER A 8 9.943 -8.619 13.250 1.00 0.00 C ATOM 130 C SER A 8 10.361 -7.295 12.613 1.00 0.00 C ATOM 131 O SER A 8 11.408 -6.737 12.955 1.00 0.00 O ATOM 132 CB SER A 8 9.715 -8.455 14.753 1.00 0.00 C ATOM 133 OG SER A 8 9.460 -9.710 15.369 1.00 0.00 O ATOM 0 H SER A 8 11.528 -9.863 13.816 1.00 0.00 H new ATOM 0 HA SER A 8 9.004 -8.939 12.799 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.591 -7.993 15.209 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.874 -7.783 14.926 1.00 0.00 H new ATOM 0 HG SER A 8 9.319 -9.580 16.330 1.00 0.00 H new ATOM 139 N PRO A 9 9.557 -6.791 11.654 1.00 0.00 N ATOM 140 CA PRO A 9 9.857 -5.555 10.920 1.00 0.00 C ATOM 141 C PRO A 9 10.207 -4.397 11.843 1.00 0.00 C ATOM 142 O PRO A 9 11.160 -3.664 11.590 1.00 0.00 O ATOM 143 CB PRO A 9 8.560 -5.265 10.166 1.00 0.00 C ATOM 144 CG PRO A 9 7.928 -6.599 9.982 1.00 0.00 C ATOM 145 CD PRO A 9 8.289 -7.399 11.204 1.00 0.00 C ATOM 0 HA PRO A 9 10.726 -5.670 10.273 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.913 -4.595 10.732 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.757 -4.784 9.208 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.847 -6.508 9.880 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.294 -7.083 9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.517 -7.331 11.971 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.412 -8.456 10.969 1.00 0.00 H new ATOM 153 N GLU A 10 9.443 -4.255 12.923 1.00 0.00 N ATOM 154 CA GLU A 10 9.664 -3.185 13.890 1.00 0.00 C ATOM 155 C GLU A 10 11.049 -3.294 14.524 1.00 0.00 C ATOM 156 O GLU A 10 11.728 -2.291 14.723 1.00 0.00 O ATOM 157 CB GLU A 10 8.595 -3.226 14.982 1.00 0.00 C ATOM 158 CG GLU A 10 7.184 -3.020 14.462 1.00 0.00 C ATOM 159 CD GLU A 10 7.008 -1.686 13.770 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.898 -0.659 14.473 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.972 -1.658 12.524 1.00 0.00 O ATOM 0 H GLU A 10 8.662 -4.871 13.150 1.00 0.00 H new ATOM 0 HA GLU A 10 9.600 -2.236 13.357 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.648 -4.187 15.494 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.815 -2.458 15.723 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.937 -3.822 13.766 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.481 -3.090 15.292 1.00 0.00 H new ATOM 168 N VAL A 11 11.465 -4.518 14.821 1.00 0.00 N ATOM 169 CA VAL A 11 12.751 -4.755 15.463 1.00 0.00 C ATOM 170 C VAL A 11 13.892 -4.433 14.507 1.00 0.00 C ATOM 171 O VAL A 11 14.840 -3.735 14.869 1.00 0.00 O ATOM 172 CB VAL A 11 12.884 -6.213 15.949 1.00 0.00 C ATOM 173 CG1 VAL A 11 14.227 -6.439 16.633 1.00 0.00 C ATOM 174 CG2 VAL A 11 11.738 -6.569 16.885 1.00 0.00 C ATOM 0 H VAL A 11 10.929 -5.364 14.627 1.00 0.00 H new ATOM 0 HA VAL A 11 12.806 -4.097 16.331 1.00 0.00 H new ATOM 0 HB VAL A 11 12.835 -6.867 15.079 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.296 -7.474 16.966 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.033 -6.230 15.930 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.314 -5.775 17.493 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.848 -7.601 17.218 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.754 -5.905 17.749 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.790 -6.456 16.359 1.00 0.00 H new ATOM 184 N ARG A 12 13.786 -4.926 13.280 1.00 0.00 N ATOM 185 CA ARG A 12 14.817 -4.693 12.275 1.00 0.00 C ATOM 186 C ARG A 12 14.914 -3.209 11.929 1.00 0.00 C ATOM 187 O ARG A 12 16.012 -2.656 11.829 1.00 0.00 O ATOM 188 CB ARG A 12 14.537 -5.515 11.016 1.00 0.00 C ATOM 189 CG ARG A 12 15.575 -5.320 9.921 1.00 0.00 C ATOM 190 CD ARG A 12 15.401 -6.321 8.790 1.00 0.00 C ATOM 191 NE ARG A 12 14.119 -6.171 8.109 1.00 0.00 N ATOM 192 CZ ARG A 12 13.402 -7.188 7.637 1.00 0.00 C ATOM 193 NH1 ARG A 12 13.805 -8.434 7.848 1.00 0.00 N ATOM 194 NH2 ARG A 12 12.278 -6.959 6.967 1.00 0.00 N ATOM 0 H ARG A 12 12.999 -5.488 12.956 1.00 0.00 H new ATOM 0 HA ARG A 12 15.773 -5.011 12.692 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.496 -6.571 11.283 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.555 -5.246 10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 12 15.499 -4.308 9.525 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.574 -5.422 10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.209 -6.196 8.070 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.482 -7.333 9.188 1.00 0.00 H new ATOM 0 HE ARG A 12 13.750 -5.228 7.987 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.663 -8.611 8.371 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.257 -9.215 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.962 -6.001 6.813 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.731 -7.741 6.607 1.00 0.00 H new ATOM 208 N GLN A 13 13.763 -2.572 11.761 1.00 0.00 N ATOM 209 CA GLN A 13 13.713 -1.147 11.464 1.00 0.00 C ATOM 210 C GLN A 13 14.317 -0.347 12.612 1.00 0.00 C ATOM 211 O GLN A 13 15.101 0.577 12.393 1.00 0.00 O ATOM 212 CB GLN A 13 12.268 -0.710 11.223 1.00 0.00 C ATOM 213 CG GLN A 13 12.128 0.741 10.795 1.00 0.00 C ATOM 214 CD GLN A 13 12.724 1.013 9.428 1.00 0.00 C ATOM 215 OE1 GLN A 13 11.919 0.847 8.393 1.00 0.00 O flip ATOM 216 NE2 GLN A 13 13.898 1.360 9.300 1.00 0.00 N flip ATOM 0 H GLN A 13 12.849 -3.021 11.826 1.00 0.00 H new ATOM 0 HA GLN A 13 14.294 -0.958 10.561 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.828 -1.349 10.457 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.694 -0.866 12.136 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.072 1.012 10.786 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.614 1.380 11.532 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.488 1.477 10.124 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.281 1.530 8.370 1.00 0.00 H new ATOM 225 N ARG A 14 13.955 -0.722 13.835 1.00 0.00 N ATOM 226 CA ARG A 14 14.462 -0.061 15.033 1.00 0.00 C ATOM 227 C ARG A 14 15.981 -0.179 15.111 1.00 0.00 C ATOM 228 O ARG A 14 16.674 0.779 15.456 1.00 0.00 O ATOM 229 CB ARG A 14 13.827 -0.680 16.276 1.00 0.00 C ATOM 230 CG ARG A 14 14.082 0.090 17.559 1.00 0.00 C ATOM 231 CD ARG A 14 13.467 -0.621 18.752 1.00 0.00 C ATOM 232 NE ARG A 14 13.573 0.158 19.982 1.00 0.00 N ATOM 233 CZ ARG A 14 14.174 -0.276 21.088 1.00 0.00 C ATOM 234 NH1 ARG A 14 14.771 -1.459 21.104 1.00 0.00 N ATOM 235 NH2 ARG A 14 14.187 0.484 22.175 1.00 0.00 N ATOM 0 H ARG A 14 13.307 -1.487 14.023 1.00 0.00 H new ATOM 0 HA ARG A 14 14.200 0.996 14.983 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.751 -0.756 16.120 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.205 -1.696 16.395 1.00 0.00 H new ATOM 0 HG2 ARG A 14 15.155 0.203 17.712 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.665 1.093 17.474 1.00 0.00 H new ATOM 0 HD2 ARG A 14 12.417 -0.828 18.546 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.960 -1.583 18.891 1.00 0.00 H new ATOM 0 HE ARG A 14 13.162 1.091 19.995 1.00 0.00 H new ATOM 0 HH11 ARG A 14 14.771 -2.041 20.267 1.00 0.00 H new ATOM 0 HH12 ARG A 14 15.230 -1.787 21.954 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.737 1.399 22.163 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.647 0.153 23.023 1.00 0.00 H new ATOM 249 N ALA A 15 16.485 -1.362 14.779 1.00 0.00 N ATOM 250 CA ALA A 15 17.916 -1.616 14.787 1.00 0.00 C ATOM 251 C ALA A 15 18.639 -0.681 13.827 1.00 0.00 C ATOM 252 O ALA A 15 19.527 0.071 14.229 1.00 0.00 O ATOM 253 CB ALA A 15 18.196 -3.067 14.427 1.00 0.00 C ATOM 0 H ALA A 15 15.918 -2.163 14.500 1.00 0.00 H new ATOM 0 HA ALA A 15 18.291 -1.426 15.793 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.272 -3.243 14.437 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.714 -3.722 15.153 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.803 -3.277 13.432 1.00 0.00 H new ATOM 259 N VAL A 16 18.228 -0.717 12.564 1.00 0.00 N ATOM 260 CA VAL A 16 18.834 0.113 11.525 1.00 0.00 C ATOM 261 C VAL A 16 18.712 1.592 11.880 1.00 0.00 C ATOM 262 O VAL A 16 19.669 2.359 11.736 1.00 0.00 O ATOM 263 CB VAL A 16 18.177 -0.140 10.147 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.815 0.730 9.070 1.00 0.00 C ATOM 265 CG2 VAL A 16 18.276 -1.611 9.769 1.00 0.00 C ATOM 0 H VAL A 16 17.472 -1.316 12.232 1.00 0.00 H new ATOM 0 HA VAL A 16 19.888 -0.160 11.464 1.00 0.00 H new ATOM 0 HB VAL A 16 17.123 0.129 10.222 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.335 0.533 8.111 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.689 1.781 9.329 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.878 0.499 8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.809 -1.769 8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.325 -1.904 9.719 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.766 -2.215 10.520 1.00 0.00 H new ATOM 275 N ARG A 17 17.538 1.980 12.362 1.00 0.00 N ATOM 276 CA ARG A 17 17.282 3.361 12.743 1.00 0.00 C ATOM 277 C ARG A 17 18.259 3.815 13.827 1.00 0.00 C ATOM 278 O ARG A 17 18.896 4.864 13.700 1.00 0.00 O ATOM 279 CB ARG A 17 15.843 3.513 13.240 1.00 0.00 C ATOM 280 CG ARG A 17 15.435 4.950 13.525 1.00 0.00 C ATOM 281 CD ARG A 17 14.002 5.040 14.031 1.00 0.00 C ATOM 282 NE ARG A 17 13.040 4.426 13.108 1.00 0.00 N ATOM 283 CZ ARG A 17 12.580 5.017 12.002 1.00 0.00 C ATOM 284 NH1 ARG A 17 13.041 6.208 11.640 1.00 0.00 N ATOM 285 NH2 ARG A 17 11.667 4.413 11.251 1.00 0.00 N ATOM 0 H ARG A 17 16.745 1.353 12.498 1.00 0.00 H new ATOM 0 HA ARG A 17 17.425 3.990 11.864 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.166 3.095 12.495 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.719 2.924 14.149 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.110 5.380 14.265 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.538 5.544 12.617 1.00 0.00 H new ATOM 0 HD2 ARG A 17 13.932 4.550 15.002 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.738 6.087 14.182 1.00 0.00 H new ATOM 0 HE ARG A 17 12.701 3.489 13.325 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.749 6.675 12.207 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.687 6.656 10.795 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.314 3.494 11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.318 4.868 10.407 1.00 0.00 H new ATOM 299 N MET A 18 18.383 3.007 14.881 1.00 0.00 N ATOM 300 CA MET A 18 19.244 3.338 16.013 1.00 0.00 C ATOM 301 C MET A 18 20.714 3.354 15.599 1.00 0.00 C ATOM 302 O MET A 18 21.510 4.122 16.145 1.00 0.00 O ATOM 303 CB MET A 18 19.019 2.350 17.164 1.00 0.00 C ATOM 304 CG MET A 18 19.813 2.676 18.421 1.00 0.00 C ATOM 305 SD MET A 18 19.306 1.691 19.847 1.00 0.00 S ATOM 306 CE MET A 18 19.503 0.029 19.209 1.00 0.00 C ATOM 0 H MET A 18 17.895 2.116 14.972 1.00 0.00 H new ATOM 0 HA MET A 18 18.981 4.338 16.357 1.00 0.00 H new ATOM 0 HB2 MET A 18 17.958 2.331 17.411 1.00 0.00 H new ATOM 0 HB3 MET A 18 19.286 1.348 16.827 1.00 0.00 H new ATOM 0 HG2 MET A 18 20.873 2.509 18.229 1.00 0.00 H new ATOM 0 HG3 MET A 18 19.694 3.734 18.656 1.00 0.00 H new ATOM 0 HE1 MET A 18 19.958 -0.602 19.972 1.00 0.00 H new ATOM 0 HE2 MET A 18 18.527 -0.375 18.938 1.00 0.00 H new ATOM 0 HE3 MET A 18 20.144 0.051 18.328 1.00 0.00 H new ATOM 316 N VAL A 19 21.074 2.514 14.629 1.00 0.00 N ATOM 317 CA VAL A 19 22.430 2.518 14.086 1.00 0.00 C ATOM 318 C VAL A 19 22.739 3.866 13.446 1.00 0.00 C ATOM 319 O VAL A 19 23.786 4.460 13.704 1.00 0.00 O ATOM 320 CB VAL A 19 22.643 1.393 13.046 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.996 1.533 12.361 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.532 0.029 13.707 1.00 0.00 C ATOM 0 H VAL A 19 20.450 1.827 14.206 1.00 0.00 H new ATOM 0 HA VAL A 19 23.110 2.339 14.919 1.00 0.00 H new ATOM 0 HB VAL A 19 21.863 1.483 12.290 1.00 0.00 H new ATOM 0 HG11 VAL A 19 24.121 0.730 11.635 1.00 0.00 H new ATOM 0 HG12 VAL A 19 24.048 2.495 11.851 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.789 1.475 13.106 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.685 -0.751 12.961 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.290 -0.061 14.485 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.542 -0.081 14.150 1.00 0.00 H new ATOM 332 N LEU A 20 21.810 4.357 12.633 1.00 0.00 N ATOM 333 CA LEU A 20 21.968 5.653 11.983 1.00 0.00 C ATOM 334 C LEU A 20 22.019 6.766 13.028 1.00 0.00 C ATOM 335 O LEU A 20 22.858 7.668 12.955 1.00 0.00 O ATOM 336 CB LEU A 20 20.819 5.899 11.001 1.00 0.00 C ATOM 337 CG LEU A 20 20.636 4.826 9.922 1.00 0.00 C ATOM 338 CD1 LEU A 20 19.457 5.174 9.026 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.904 4.669 9.096 1.00 0.00 C ATOM 0 H LEU A 20 20.939 3.877 12.408 1.00 0.00 H new ATOM 0 HA LEU A 20 22.906 5.652 11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.891 5.983 11.567 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.981 6.859 10.511 1.00 0.00 H new ATOM 0 HG LEU A 20 20.431 3.875 10.415 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.339 4.403 8.264 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.549 5.233 9.626 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.637 6.135 8.545 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.751 3.902 8.337 1.00 0.00 H new ATOM 0 HD22 LEU A 20 22.143 5.616 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.728 4.376 9.747 1.00 0.00 H new ATOM 351 N GLU A 21 21.130 6.669 14.015 1.00 0.00 N ATOM 352 CA GLU A 21 21.077 7.625 15.116 1.00 0.00 C ATOM 353 C GLU A 21 22.418 7.714 15.832 1.00 0.00 C ATOM 354 O GLU A 21 22.891 8.802 16.159 1.00 0.00 O ATOM 355 CB GLU A 21 19.989 7.220 16.115 1.00 0.00 C ATOM 356 CG GLU A 21 18.581 7.283 15.550 1.00 0.00 C ATOM 357 CD GLU A 21 18.131 8.699 15.264 1.00 0.00 C ATOM 358 OE1 GLU A 21 17.580 9.340 16.182 1.00 0.00 O ATOM 359 OE2 GLU A 21 18.325 9.176 14.125 1.00 0.00 O ATOM 0 H GLU A 21 20.430 5.929 14.073 1.00 0.00 H new ATOM 0 HA GLU A 21 20.842 8.604 14.698 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.186 6.205 16.461 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.050 7.871 16.987 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.536 6.699 14.631 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.890 6.822 16.255 1.00 0.00 H new ATOM 366 N SER A 22 23.035 6.565 16.060 1.00 0.00 N ATOM 367 CA SER A 22 24.302 6.511 16.768 1.00 0.00 C ATOM 368 C SER A 22 25.461 6.906 15.848 1.00 0.00 C ATOM 369 O SER A 22 26.442 7.501 16.297 1.00 0.00 O ATOM 370 CB SER A 22 24.509 5.113 17.346 1.00 0.00 C ATOM 371 OG SER A 22 23.378 4.707 18.109 1.00 0.00 O ATOM 0 H SER A 22 22.677 5.657 15.764 1.00 0.00 H new ATOM 0 HA SER A 22 24.279 7.228 17.588 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.681 4.403 16.538 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.399 5.103 17.974 1.00 0.00 H new ATOM 0 HG SER A 22 22.642 4.474 17.505 1.00 0.00 H new ATOM 377 N GLN A 23 25.328 6.607 14.555 1.00 0.00 N ATOM 378 CA GLN A 23 26.340 6.993 13.574 1.00 0.00 C ATOM 379 C GLN A 23 26.431 8.515 13.497 1.00 0.00 C ATOM 380 O GLN A 23 27.433 9.067 13.055 1.00 0.00 O ATOM 381 CB GLN A 23 26.018 6.411 12.190 1.00 0.00 C ATOM 382 CG GLN A 23 27.141 6.602 11.181 1.00 0.00 C ATOM 383 CD GLN A 23 26.806 6.073 9.799 1.00 0.00 C ATOM 384 OE1 GLN A 23 27.688 5.619 9.074 1.00 0.00 O ATOM 385 NE2 GLN A 23 25.542 6.150 9.414 1.00 0.00 N ATOM 0 H GLN A 23 24.533 6.101 14.165 1.00 0.00 H new ATOM 0 HA GLN A 23 27.301 6.590 13.894 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.807 5.346 12.291 1.00 0.00 H new ATOM 0 HB3 GLN A 23 25.112 6.881 11.808 1.00 0.00 H new ATOM 0 HG2 GLN A 23 27.377 7.664 11.108 1.00 0.00 H new ATOM 0 HG3 GLN A 23 28.037 6.100 11.547 1.00 0.00 H new ATOM 0 HE21 GLN A 23 24.839 6.534 10.046 1.00 0.00 H new ATOM 0 HE22 GLN A 23 25.271 5.826 8.486 1.00 0.00 H new ATOM 394 N GLY A 24 25.370 9.181 13.949 1.00 0.00 N ATOM 395 CA GLY A 24 25.369 10.632 14.031 1.00 0.00 C ATOM 396 C GLY A 24 26.429 11.186 14.977 1.00 0.00 C ATOM 397 O GLY A 24 26.634 12.397 15.039 1.00 0.00 O ATOM 0 H GLY A 24 24.506 8.738 14.262 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.530 11.045 13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.386 10.969 14.361 1.00 0.00 H new ATOM 401 N GLU A 25 27.084 10.312 15.733 1.00 0.00 N ATOM 402 CA GLU A 25 28.199 10.725 16.575 1.00 0.00 C ATOM 403 C GLU A 25 29.453 9.911 16.246 1.00 0.00 C ATOM 404 O GLU A 25 30.580 10.403 16.376 1.00 0.00 O ATOM 405 CB GLU A 25 27.854 10.583 18.059 1.00 0.00 C ATOM 406 CG GLU A 25 28.957 11.089 18.977 1.00 0.00 C ATOM 407 CD GLU A 25 28.630 10.928 20.445 1.00 0.00 C ATOM 408 OE1 GLU A 25 28.963 9.873 21.020 1.00 0.00 O ATOM 409 OE2 GLU A 25 28.055 11.865 21.038 1.00 0.00 O ATOM 0 H GLU A 25 26.863 9.317 15.780 1.00 0.00 H new ATOM 0 HA GLU A 25 28.398 11.777 16.370 1.00 0.00 H new ATOM 0 HB2 GLU A 25 26.936 11.132 18.267 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.656 9.534 18.282 1.00 0.00 H new ATOM 0 HG2 GLU A 25 29.880 10.553 18.756 1.00 0.00 H new ATOM 0 HG3 GLU A 25 29.142 12.142 18.766 1.00 0.00 H new ATOM 416 N TYR A 26 29.259 8.666 15.820 1.00 0.00 N ATOM 417 CA TYR A 26 30.377 7.801 15.447 1.00 0.00 C ATOM 418 C TYR A 26 30.981 8.234 14.115 1.00 0.00 C ATOM 419 O TYR A 26 30.320 8.873 13.299 1.00 0.00 O ATOM 420 CB TYR A 26 29.931 6.340 15.351 1.00 0.00 C ATOM 421 CG TYR A 26 29.749 5.659 16.689 1.00 0.00 C ATOM 422 CD1 TYR A 26 30.818 5.037 17.319 1.00 0.00 C ATOM 423 CD2 TYR A 26 28.513 5.626 17.314 1.00 0.00 C ATOM 424 CE1 TYR A 26 30.656 4.403 18.535 1.00 0.00 C ATOM 425 CE2 TYR A 26 28.343 4.996 18.531 1.00 0.00 C ATOM 426 CZ TYR A 26 29.416 4.386 19.136 1.00 0.00 C ATOM 427 OH TYR A 26 29.250 3.756 20.347 1.00 0.00 O ATOM 0 H TYR A 26 28.340 8.233 15.724 1.00 0.00 H new ATOM 0 HA TYR A 26 31.133 7.891 16.227 1.00 0.00 H new ATOM 0 HB2 TYR A 26 28.991 6.294 14.802 1.00 0.00 H new ATOM 0 HB3 TYR A 26 30.667 5.784 14.770 1.00 0.00 H new ATOM 0 HD1 TYR A 26 31.791 5.049 16.851 1.00 0.00 H new ATOM 0 HD2 TYR A 26 27.667 6.102 16.841 1.00 0.00 H new ATOM 0 HE1 TYR A 26 31.497 3.923 19.013 1.00 0.00 H new ATOM 0 HE2 TYR A 26 27.373 4.983 19.005 1.00 0.00 H new ATOM 0 HH TYR A 26 28.316 3.837 20.633 1.00 0.00 H new ATOM 437 N ASP A 27 32.240 7.879 13.904 1.00 0.00 N ATOM 438 CA ASP A 27 32.935 8.210 12.665 1.00 0.00 C ATOM 439 C ASP A 27 32.645 7.168 11.592 1.00 0.00 C ATOM 440 O ASP A 27 32.702 7.452 10.395 1.00 0.00 O ATOM 441 CB ASP A 27 34.447 8.294 12.901 1.00 0.00 C ATOM 442 CG ASP A 27 35.046 6.967 13.331 1.00 0.00 C ATOM 443 OD1 ASP A 27 35.436 6.169 12.453 1.00 0.00 O ATOM 444 OD2 ASP A 27 35.124 6.712 14.548 1.00 0.00 O ATOM 0 H ASP A 27 32.804 7.360 14.577 1.00 0.00 H new ATOM 0 HA ASP A 27 32.573 9.180 12.326 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.936 8.629 11.986 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.651 9.045 13.665 1.00 0.00 H new ATOM 449 N SER A 28 32.328 5.962 12.026 1.00 0.00 N ATOM 450 CA SER A 28 32.101 4.864 11.109 1.00 0.00 C ATOM 451 C SER A 28 30.909 4.022 11.547 1.00 0.00 C ATOM 452 O SER A 28 30.665 3.839 12.741 1.00 0.00 O ATOM 453 CB SER A 28 33.363 4.004 11.016 1.00 0.00 C ATOM 454 OG SER A 28 33.915 3.774 12.301 1.00 0.00 O ATOM 0 H SER A 28 32.222 5.719 13.011 1.00 0.00 H new ATOM 0 HA SER A 28 31.873 5.272 10.124 1.00 0.00 H new ATOM 0 HB2 SER A 28 33.125 3.052 10.543 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.099 4.499 10.383 1.00 0.00 H new ATOM 0 HG SER A 28 34.498 4.523 12.545 1.00 0.00 H new ATOM 460 N GLN A 29 30.161 3.534 10.565 1.00 0.00 N ATOM 461 CA GLN A 29 29.014 2.668 10.809 1.00 0.00 C ATOM 462 C GLN A 29 29.440 1.399 11.537 1.00 0.00 C ATOM 463 O GLN A 29 28.724 0.896 12.403 1.00 0.00 O ATOM 464 CB GLN A 29 28.355 2.300 9.479 1.00 0.00 C ATOM 465 CG GLN A 29 27.100 1.460 9.625 1.00 0.00 C ATOM 466 CD GLN A 29 26.623 0.909 8.300 1.00 0.00 C ATOM 467 OE1 GLN A 29 27.420 0.633 7.406 1.00 0.00 O ATOM 468 NE2 GLN A 29 25.318 0.745 8.164 1.00 0.00 N ATOM 0 H GLN A 29 30.332 3.727 9.578 1.00 0.00 H new ATOM 0 HA GLN A 29 28.302 3.205 11.436 1.00 0.00 H new ATOM 0 HB2 GLN A 29 28.107 3.216 8.942 1.00 0.00 H new ATOM 0 HB3 GLN A 29 29.075 1.757 8.867 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.295 0.635 10.310 1.00 0.00 H new ATOM 0 HG3 GLN A 29 26.310 2.065 10.070 1.00 0.00 H new ATOM 0 HE21 GLN A 29 24.691 0.987 8.931 1.00 0.00 H new ATOM 0 HE22 GLN A 29 24.938 0.377 7.292 1.00 0.00 H new ATOM 477 N TRP A 30 30.621 0.901 11.188 1.00 0.00 N ATOM 478 CA TRP A 30 31.138 -0.340 11.747 1.00 0.00 C ATOM 479 C TRP A 30 31.337 -0.223 13.253 1.00 0.00 C ATOM 480 O TRP A 30 31.035 -1.157 13.997 1.00 0.00 O ATOM 481 CB TRP A 30 32.452 -0.712 11.063 1.00 0.00 C ATOM 482 CG TRP A 30 32.300 -0.951 9.589 1.00 0.00 C ATOM 483 CD1 TRP A 30 32.026 -2.140 8.981 1.00 0.00 C ATOM 484 CD2 TRP A 30 32.405 0.023 8.540 1.00 0.00 C ATOM 485 NE1 TRP A 30 31.955 -1.968 7.619 1.00 0.00 N ATOM 486 CE2 TRP A 30 32.182 -0.649 7.322 1.00 0.00 C ATOM 487 CE3 TRP A 30 32.666 1.393 8.511 1.00 0.00 C ATOM 488 CZ2 TRP A 30 32.218 0.004 6.092 1.00 0.00 C ATOM 489 CZ3 TRP A 30 32.695 2.042 7.290 1.00 0.00 C ATOM 490 CH2 TRP A 30 32.470 1.348 6.095 1.00 0.00 C ATOM 0 H TRP A 30 31.244 1.345 10.513 1.00 0.00 H new ATOM 0 HA TRP A 30 30.407 -1.128 11.567 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.177 0.086 11.223 1.00 0.00 H new ATOM 0 HB3 TRP A 30 32.857 -1.609 11.531 1.00 0.00 H new ATOM 0 HD1 TRP A 30 31.885 -3.080 9.494 1.00 0.00 H new ATOM 0 HE1 TRP A 30 31.764 -2.704 6.939 1.00 0.00 H new ATOM 0 HE3 TRP A 30 32.842 1.938 9.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 32.053 -0.532 5.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 32.895 3.103 7.258 1.00 0.00 H new ATOM 0 HH2 TRP A 30 32.496 1.884 5.158 1.00 0.00 H new ATOM 501 N ALA A 31 31.827 0.931 13.699 1.00 0.00 N ATOM 502 CA ALA A 31 31.996 1.186 15.122 1.00 0.00 C ATOM 503 C ALA A 31 30.643 1.167 15.829 1.00 0.00 C ATOM 504 O ALA A 31 30.517 0.663 16.948 1.00 0.00 O ATOM 505 CB ALA A 31 32.701 2.514 15.351 1.00 0.00 C ATOM 0 H ALA A 31 32.113 1.701 13.095 1.00 0.00 H new ATOM 0 HA ALA A 31 32.618 0.395 15.542 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.817 2.685 16.421 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.683 2.491 14.879 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.109 3.320 14.917 1.00 0.00 H new ATOM 511 N THR A 32 29.635 1.708 15.157 1.00 0.00 N ATOM 512 CA THR A 32 28.276 1.699 15.670 1.00 0.00 C ATOM 513 C THR A 32 27.751 0.267 15.786 1.00 0.00 C ATOM 514 O THR A 32 27.218 -0.132 16.822 1.00 0.00 O ATOM 515 CB THR A 32 27.345 2.509 14.750 1.00 0.00 C ATOM 516 OG1 THR A 32 27.911 3.801 14.499 1.00 0.00 O ATOM 517 CG2 THR A 32 25.971 2.665 15.376 1.00 0.00 C ATOM 0 H THR A 32 29.737 2.161 14.249 1.00 0.00 H new ATOM 0 HA THR A 32 28.290 2.156 16.660 1.00 0.00 H new ATOM 0 HB THR A 32 27.238 1.970 13.809 1.00 0.00 H new ATOM 0 HG1 THR A 32 28.187 4.207 15.347 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.330 3.241 14.708 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.532 1.681 15.541 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.062 3.186 16.329 1.00 0.00 H new ATOM 525 N ILE A 33 27.929 -0.504 14.717 1.00 0.00 N ATOM 526 CA ILE A 33 27.456 -1.886 14.664 1.00 0.00 C ATOM 527 C ILE A 33 28.039 -2.719 15.804 1.00 0.00 C ATOM 528 O ILE A 33 27.320 -3.472 16.460 1.00 0.00 O ATOM 529 CB ILE A 33 27.804 -2.551 13.307 1.00 0.00 C ATOM 530 CG1 ILE A 33 27.087 -1.830 12.160 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.434 -4.028 13.318 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.435 -2.366 10.785 1.00 0.00 C ATOM 0 H ILE A 33 28.401 -0.193 13.868 1.00 0.00 H new ATOM 0 HA ILE A 33 26.372 -1.853 14.772 1.00 0.00 H new ATOM 0 HB ILE A 33 28.880 -2.470 13.153 1.00 0.00 H new ATOM 0 HG12 ILE A 33 26.010 -1.911 12.309 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.335 -0.769 12.199 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.687 -4.474 12.356 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.986 -4.535 14.109 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.364 -4.134 13.497 1.00 0.00 H new ATOM 0 HD11 ILE A 33 26.888 -1.805 10.027 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.506 -2.259 10.613 1.00 0.00 H new ATOM 0 HD13 ILE A 33 27.161 -3.419 10.725 1.00 0.00 H new ATOM 544 N CYS A 34 29.328 -2.547 16.064 1.00 0.00 N ATOM 545 CA CYS A 34 30.009 -3.312 17.103 1.00 0.00 C ATOM 546 C CYS A 34 29.487 -2.965 18.498 1.00 0.00 C ATOM 547 O CYS A 34 29.717 -3.702 19.455 1.00 0.00 O ATOM 548 CB CYS A 34 31.513 -3.058 17.040 1.00 0.00 C ATOM 549 SG CYS A 34 32.258 -3.441 15.439 1.00 0.00 S ATOM 0 H CYS A 34 29.925 -1.884 15.570 1.00 0.00 H new ATOM 0 HA CYS A 34 29.805 -4.367 16.920 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.704 -2.011 17.277 1.00 0.00 H new ATOM 0 HB3 CYS A 34 32.004 -3.654 17.809 1.00 0.00 H new ATOM 0 HG CYS A 34 31.861 -2.573 14.557 1.00 0.00 H new ATOM 555 N SER A 35 28.802 -1.837 18.613 1.00 0.00 N ATOM 556 CA SER A 35 28.253 -1.406 19.889 1.00 0.00 C ATOM 557 C SER A 35 26.770 -1.767 20.000 1.00 0.00 C ATOM 558 O SER A 35 26.288 -2.152 21.067 1.00 0.00 O ATOM 559 CB SER A 35 28.445 0.103 20.037 1.00 0.00 C ATOM 560 OG SER A 35 29.795 0.463 19.794 1.00 0.00 O ATOM 0 H SER A 35 28.613 -1.203 17.837 1.00 0.00 H new ATOM 0 HA SER A 35 28.781 -1.922 20.691 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.792 0.628 19.339 1.00 0.00 H new ATOM 0 HB3 SER A 35 28.155 0.415 21.040 1.00 0.00 H new ATOM 0 HG SER A 35 29.949 0.522 18.828 1.00 0.00 H new ATOM 566 N ILE A 36 26.059 -1.666 18.885 1.00 0.00 N ATOM 567 CA ILE A 36 24.617 -1.882 18.860 1.00 0.00 C ATOM 568 C ILE A 36 24.266 -3.371 18.826 1.00 0.00 C ATOM 569 O ILE A 36 23.314 -3.805 19.481 1.00 0.00 O ATOM 570 CB ILE A 36 23.985 -1.175 17.642 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.227 0.333 17.721 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.496 -1.472 17.546 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.605 0.994 18.936 1.00 0.00 C ATOM 0 H ILE A 36 26.462 -1.434 17.977 1.00 0.00 H new ATOM 0 HA ILE A 36 24.212 -1.457 19.779 1.00 0.00 H new ATOM 0 HB ILE A 36 24.461 -1.561 16.741 1.00 0.00 H new ATOM 0 HG12 ILE A 36 25.301 0.518 17.729 1.00 0.00 H new ATOM 0 HG13 ILE A 36 23.829 0.802 16.821 1.00 0.00 H new ATOM 0 HG21 ILE A 36 22.078 -0.961 16.679 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.345 -2.546 17.441 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.996 -1.122 18.449 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.821 2.062 18.920 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.526 0.842 18.920 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.020 0.554 19.842 1.00 0.00 H new ATOM 585 N ALA A 37 25.050 -4.147 18.082 1.00 0.00 N ATOM 586 CA ALA A 37 24.780 -5.575 17.903 1.00 0.00 C ATOM 587 C ALA A 37 24.668 -6.323 19.241 1.00 0.00 C ATOM 588 O ALA A 37 23.677 -7.023 19.464 1.00 0.00 O ATOM 589 CB ALA A 37 25.833 -6.218 17.007 1.00 0.00 C ATOM 0 H ALA A 37 25.879 -3.812 17.592 1.00 0.00 H new ATOM 0 HA ALA A 37 23.810 -5.656 17.413 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.611 -7.279 16.889 1.00 0.00 H new ATOM 0 HB2 ALA A 37 25.824 -5.734 16.030 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.817 -6.101 17.461 1.00 0.00 H new ATOM 595 N PRO A 38 25.654 -6.186 20.164 1.00 0.00 N ATOM 596 CA PRO A 38 25.601 -6.866 21.467 1.00 0.00 C ATOM 597 C PRO A 38 24.498 -6.310 22.360 1.00 0.00 C ATOM 598 O PRO A 38 23.978 -7.004 23.238 1.00 0.00 O ATOM 599 CB PRO A 38 26.977 -6.591 22.092 1.00 0.00 C ATOM 600 CG PRO A 38 27.824 -6.077 20.979 1.00 0.00 C ATOM 601 CD PRO A 38 26.887 -5.390 20.032 1.00 0.00 C ATOM 0 HA PRO A 38 25.381 -7.928 21.354 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.903 -5.861 22.898 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.401 -7.498 22.521 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.580 -5.385 21.351 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.353 -6.891 20.483 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.727 -4.347 20.305 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.266 -5.397 19.010 1.00 0.00 H new ATOM 609 N LYS A 39 24.141 -5.053 22.123 1.00 0.00 N ATOM 610 CA LYS A 39 23.101 -4.392 22.896 1.00 0.00 C ATOM 611 C LYS A 39 21.741 -5.012 22.595 1.00 0.00 C ATOM 612 O LYS A 39 20.955 -5.281 23.503 1.00 0.00 O ATOM 613 CB LYS A 39 23.087 -2.890 22.592 1.00 0.00 C ATOM 614 CG LYS A 39 22.019 -2.119 23.353 1.00 0.00 C ATOM 615 CD LYS A 39 22.045 -0.637 23.011 1.00 0.00 C ATOM 616 CE LYS A 39 23.307 0.040 23.524 1.00 0.00 C ATOM 617 NZ LYS A 39 23.362 0.064 25.009 1.00 0.00 N ATOM 0 H LYS A 39 24.560 -4.471 21.398 1.00 0.00 H new ATOM 0 HA LYS A 39 23.314 -4.528 23.956 1.00 0.00 H new ATOM 0 HB2 LYS A 39 24.064 -2.471 22.832 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.933 -2.747 21.523 1.00 0.00 H new ATOM 0 HG2 LYS A 39 21.037 -2.530 23.118 1.00 0.00 H new ATOM 0 HG3 LYS A 39 22.171 -2.248 24.425 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.980 -0.512 21.930 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.170 -0.149 23.442 1.00 0.00 H new ATOM 0 HE2 LYS A 39 24.182 -0.483 23.137 1.00 0.00 H new ATOM 0 HE3 LYS A 39 23.351 1.060 23.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 24.111 0.716 25.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 22.447 0.384 25.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 23.567 -0.892 25.364 1.00 0.00 H new ATOM 631 N ILE A 40 21.473 -5.251 21.320 1.00 0.00 N ATOM 632 CA ILE A 40 20.210 -5.849 20.904 1.00 0.00 C ATOM 633 C ILE A 40 20.245 -7.364 21.083 1.00 0.00 C ATOM 634 O ILE A 40 19.255 -7.980 21.486 1.00 0.00 O ATOM 635 CB ILE A 40 19.891 -5.515 19.429 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.821 -4.000 19.228 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.584 -6.167 18.999 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.563 -3.588 17.793 1.00 0.00 C ATOM 0 H ILE A 40 22.113 -5.040 20.554 1.00 0.00 H new ATOM 0 HA ILE A 40 19.428 -5.429 21.536 1.00 0.00 H new ATOM 0 HB ILE A 40 20.693 -5.913 18.808 1.00 0.00 H new ATOM 0 HG12 ILE A 40 19.032 -3.594 19.861 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.758 -3.554 19.562 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.379 -5.919 17.958 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.665 -7.249 19.105 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.771 -5.801 19.626 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.526 -2.501 17.728 1.00 0.00 H new ATOM 0 HD12 ILE A 40 20.365 -3.963 17.157 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.612 -4.004 17.461 1.00 0.00 H new ATOM 650 N GLY A 41 21.394 -7.956 20.795 1.00 0.00 N ATOM 651 CA GLY A 41 21.527 -9.395 20.870 1.00 0.00 C ATOM 652 C GLY A 41 21.491 -10.021 19.495 1.00 0.00 C ATOM 653 O GLY A 41 20.693 -10.926 19.228 1.00 0.00 O ATOM 0 H GLY A 41 22.240 -7.463 20.510 1.00 0.00 H new ATOM 0 HA2 GLY A 41 22.464 -9.651 21.364 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.723 -9.806 21.480 1.00 0.00 H new ATOM 657 N CYS A 42 22.348 -9.526 18.614 1.00 0.00 N ATOM 658 CA CYS A 42 22.375 -9.984 17.236 1.00 0.00 C ATOM 659 C CYS A 42 23.795 -9.964 16.685 1.00 0.00 C ATOM 660 O CYS A 42 24.640 -9.198 17.151 1.00 0.00 O ATOM 661 CB CYS A 42 21.459 -9.104 16.379 1.00 0.00 C ATOM 662 SG CYS A 42 21.762 -7.330 16.567 1.00 0.00 S ATOM 0 H CYS A 42 23.035 -8.805 18.832 1.00 0.00 H new ATOM 0 HA CYS A 42 22.015 -11.012 17.204 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.587 -9.376 15.331 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.422 -9.315 16.639 1.00 0.00 H new ATOM 0 HG CYS A 42 21.018 -6.671 15.729 1.00 0.00 H new ATOM 668 N THR A 43 24.055 -10.821 15.710 1.00 0.00 N ATOM 669 CA THR A 43 25.344 -10.860 15.040 1.00 0.00 C ATOM 670 C THR A 43 25.589 -9.553 14.278 1.00 0.00 C ATOM 671 O THR A 43 24.722 -9.098 13.531 1.00 0.00 O ATOM 672 CB THR A 43 25.401 -12.053 14.062 1.00 0.00 C ATOM 673 OG1 THR A 43 25.089 -13.265 14.759 1.00 0.00 O ATOM 674 CG2 THR A 43 26.771 -12.179 13.414 1.00 0.00 C ATOM 0 H THR A 43 23.383 -11.505 15.363 1.00 0.00 H new ATOM 0 HA THR A 43 26.121 -10.980 15.794 1.00 0.00 H new ATOM 0 HB THR A 43 24.668 -11.876 13.275 1.00 0.00 H new ATOM 0 HG1 THR A 43 25.124 -14.020 14.135 1.00 0.00 H new ATOM 0 HG21 THR A 43 26.774 -13.029 12.732 1.00 0.00 H new ATOM 0 HG22 THR A 43 26.996 -11.268 12.859 1.00 0.00 H new ATOM 0 HG23 THR A 43 27.526 -12.330 14.186 1.00 0.00 H new ATOM 682 N PRO A 44 26.769 -8.931 14.467 1.00 0.00 N ATOM 683 CA PRO A 44 27.116 -7.663 13.809 1.00 0.00 C ATOM 684 C PRO A 44 26.950 -7.725 12.293 1.00 0.00 C ATOM 685 O PRO A 44 26.441 -6.790 11.672 1.00 0.00 O ATOM 686 CB PRO A 44 28.588 -7.460 14.175 1.00 0.00 C ATOM 687 CG PRO A 44 28.776 -8.223 15.437 1.00 0.00 C ATOM 688 CD PRO A 44 27.853 -9.406 15.347 1.00 0.00 C ATOM 0 HA PRO A 44 26.465 -6.850 14.132 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.246 -7.829 13.388 1.00 0.00 H new ATOM 0 HB3 PRO A 44 28.819 -6.404 14.314 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.812 -8.544 15.548 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.538 -7.607 16.304 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.357 -10.277 14.929 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.476 -9.696 16.328 1.00 0.00 H new ATOM 696 N GLU A 45 27.368 -8.836 11.703 1.00 0.00 N ATOM 697 CA GLU A 45 27.267 -9.021 10.264 1.00 0.00 C ATOM 698 C GLU A 45 25.807 -9.117 9.823 1.00 0.00 C ATOM 699 O GLU A 45 25.453 -8.668 8.736 1.00 0.00 O ATOM 700 CB GLU A 45 28.045 -10.264 9.840 1.00 0.00 C ATOM 701 CG GLU A 45 29.540 -10.147 10.102 1.00 0.00 C ATOM 702 CD GLU A 45 30.301 -11.400 9.737 1.00 0.00 C ATOM 703 OE1 GLU A 45 30.403 -12.303 10.589 1.00 0.00 O ATOM 704 OE2 GLU A 45 30.805 -11.488 8.600 1.00 0.00 O ATOM 0 H GLU A 45 27.781 -9.624 12.201 1.00 0.00 H new ATOM 0 HA GLU A 45 27.703 -8.151 9.773 1.00 0.00 H new ATOM 0 HB2 GLU A 45 27.655 -11.130 10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 45 27.881 -10.444 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 45 29.939 -9.307 9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 45 29.703 -9.924 11.156 1.00 0.00 H new ATOM 711 N THR A 46 24.962 -9.681 10.681 1.00 0.00 N ATOM 712 CA THR A 46 23.533 -9.761 10.407 1.00 0.00 C ATOM 713 C THR A 46 22.911 -8.366 10.428 1.00 0.00 C ATOM 714 O THR A 46 22.031 -8.048 9.625 1.00 0.00 O ATOM 715 CB THR A 46 22.819 -10.659 11.437 1.00 0.00 C ATOM 716 OG1 THR A 46 23.522 -11.903 11.567 1.00 0.00 O ATOM 717 CG2 THR A 46 21.380 -10.926 11.016 1.00 0.00 C ATOM 0 H THR A 46 25.244 -10.089 11.572 1.00 0.00 H new ATOM 0 HA THR A 46 23.407 -10.200 9.417 1.00 0.00 H new ATOM 0 HB THR A 46 22.810 -10.142 12.397 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.048 -12.482 12.200 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.896 -11.562 11.758 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.842 -9.981 10.941 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.371 -11.427 10.048 1.00 0.00 H new ATOM 725 N LEU A 47 23.393 -7.529 11.341 1.00 0.00 N ATOM 726 CA LEU A 47 22.944 -6.146 11.426 1.00 0.00 C ATOM 727 C LEU A 47 23.290 -5.409 10.134 1.00 0.00 C ATOM 728 O LEU A 47 22.510 -4.594 9.638 1.00 0.00 O ATOM 729 CB LEU A 47 23.585 -5.455 12.635 1.00 0.00 C ATOM 730 CG LEU A 47 23.127 -4.016 12.894 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.623 -3.954 13.111 1.00 0.00 C ATOM 732 CD2 LEU A 47 23.859 -3.435 14.096 1.00 0.00 C ATOM 0 H LEU A 47 24.096 -7.786 12.034 1.00 0.00 H new ATOM 0 HA LEU A 47 21.862 -6.128 11.557 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.376 -6.050 13.524 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.667 -5.454 12.499 1.00 0.00 H new ATOM 0 HG LEU A 47 23.368 -3.420 12.014 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.324 -2.922 13.293 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.112 -4.329 12.225 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.354 -4.567 13.972 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.523 -2.412 14.267 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.647 -4.039 14.978 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.932 -3.437 13.904 1.00 0.00 H new ATOM 744 N ARG A 48 24.460 -5.725 9.584 1.00 0.00 N ATOM 745 CA ARG A 48 24.873 -5.196 8.290 1.00 0.00 C ATOM 746 C ARG A 48 23.879 -5.614 7.210 1.00 0.00 C ATOM 747 O ARG A 48 23.477 -4.804 6.377 1.00 0.00 O ATOM 748 CB ARG A 48 26.272 -5.698 7.919 1.00 0.00 C ATOM 749 CG ARG A 48 26.718 -5.269 6.528 1.00 0.00 C ATOM 750 CD ARG A 48 27.937 -6.046 6.058 1.00 0.00 C ATOM 751 NE ARG A 48 29.108 -5.795 6.890 1.00 0.00 N ATOM 752 CZ ARG A 48 30.050 -6.701 7.130 1.00 0.00 C ATOM 753 NH1 ARG A 48 29.924 -7.939 6.667 1.00 0.00 N ATOM 754 NH2 ARG A 48 31.114 -6.381 7.850 1.00 0.00 N ATOM 0 H ARG A 48 25.141 -6.348 10.018 1.00 0.00 H new ATOM 0 HA ARG A 48 24.897 -4.109 8.360 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.989 -5.329 8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.287 -6.786 7.978 1.00 0.00 H new ATOM 0 HG2 ARG A 48 25.900 -5.416 5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 48 26.947 -4.203 6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 48 27.711 -7.112 6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.162 -5.775 5.026 1.00 0.00 H new ATOM 0 HE ARG A 48 29.210 -4.872 7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.101 -8.199 6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 48 30.650 -8.630 6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 48 31.213 -5.437 8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 48 31.835 -7.079 8.032 1.00 0.00 H new ATOM 768 N VAL A 49 23.482 -6.884 7.241 1.00 0.00 N ATOM 769 CA VAL A 49 22.531 -7.419 6.271 1.00 0.00 C ATOM 770 C VAL A 49 21.206 -6.667 6.346 1.00 0.00 C ATOM 771 O VAL A 49 20.607 -6.341 5.321 1.00 0.00 O ATOM 772 CB VAL A 49 22.273 -8.926 6.495 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.327 -9.479 5.439 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.580 -9.703 6.493 1.00 0.00 C ATOM 0 H VAL A 49 23.806 -7.563 7.930 1.00 0.00 H new ATOM 0 HA VAL A 49 22.973 -7.286 5.284 1.00 0.00 H new ATOM 0 HB VAL A 49 21.803 -9.043 7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.162 -10.541 5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.375 -8.950 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.765 -9.342 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.374 -10.761 6.652 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.080 -9.571 5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.224 -9.334 7.292 1.00 0.00 H new ATOM 784 N TRP A 50 20.765 -6.380 7.563 1.00 0.00 N ATOM 785 CA TRP A 50 19.518 -5.655 7.778 1.00 0.00 C ATOM 786 C TRP A 50 19.588 -4.259 7.171 1.00 0.00 C ATOM 787 O TRP A 50 18.645 -3.805 6.519 1.00 0.00 O ATOM 788 CB TRP A 50 19.198 -5.568 9.271 1.00 0.00 C ATOM 789 CG TRP A 50 18.865 -6.897 9.883 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.497 -8.029 9.220 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.856 -7.227 11.276 1.00 0.00 C ATOM 792 NE1 TRP A 50 18.261 -9.044 10.111 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.474 -8.578 11.380 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.132 -6.513 12.448 1.00 0.00 C ATOM 795 CZ2 TRP A 50 18.368 -9.230 12.606 1.00 0.00 C ATOM 796 CZ3 TRP A 50 19.024 -7.162 13.664 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.643 -8.509 13.734 1.00 0.00 C ATOM 0 H TRP A 50 21.254 -6.639 8.420 1.00 0.00 H new ATOM 0 HA TRP A 50 18.719 -6.205 7.281 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.052 -5.138 9.794 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.359 -4.888 9.417 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.405 -8.114 8.147 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.974 -9.992 9.868 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.424 -5.474 12.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 18.079 -10.269 12.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.237 -6.622 14.575 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.565 -8.987 14.699 1.00 0.00 H new ATOM 808 N VAL A 51 20.707 -3.581 7.383 1.00 0.00 N ATOM 809 CA VAL A 51 20.905 -2.258 6.813 1.00 0.00 C ATOM 810 C VAL A 51 21.013 -2.350 5.292 1.00 0.00 C ATOM 811 O VAL A 51 20.445 -1.531 4.568 1.00 0.00 O ATOM 812 CB VAL A 51 22.168 -1.569 7.378 1.00 0.00 C ATOM 813 CG1 VAL A 51 22.323 -0.168 6.800 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.123 -1.514 8.898 1.00 0.00 C ATOM 0 H VAL A 51 21.488 -3.924 7.943 1.00 0.00 H new ATOM 0 HA VAL A 51 20.040 -1.654 7.087 1.00 0.00 H new ATOM 0 HB VAL A 51 23.034 -2.162 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.218 0.298 7.211 1.00 0.00 H new ATOM 0 HG12 VAL A 51 22.412 -0.230 5.715 1.00 0.00 H new ATOM 0 HG13 VAL A 51 21.450 0.431 7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.023 -1.025 9.271 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.245 -0.951 9.216 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.069 -2.527 9.297 1.00 0.00 H new ATOM 824 N ARG A 52 21.729 -3.367 4.818 1.00 0.00 N ATOM 825 CA ARG A 52 21.896 -3.586 3.387 1.00 0.00 C ATOM 826 C ARG A 52 20.541 -3.792 2.715 1.00 0.00 C ATOM 827 O ARG A 52 20.238 -3.151 1.714 1.00 0.00 O ATOM 828 CB ARG A 52 22.792 -4.796 3.117 1.00 0.00 C ATOM 829 CG ARG A 52 23.151 -4.948 1.648 1.00 0.00 C ATOM 830 CD ARG A 52 23.831 -6.277 1.354 1.00 0.00 C ATOM 831 NE ARG A 52 25.039 -6.487 2.154 1.00 0.00 N ATOM 832 CZ ARG A 52 26.236 -5.982 1.854 1.00 0.00 C ATOM 833 NH1 ARG A 52 26.381 -5.164 0.818 1.00 0.00 N ATOM 834 NH2 ARG A 52 27.288 -6.307 2.594 1.00 0.00 N ATOM 0 H ARG A 52 22.203 -4.052 5.407 1.00 0.00 H new ATOM 0 HA ARG A 52 22.372 -2.699 2.969 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.707 -4.702 3.702 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.287 -5.700 3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 52 22.247 -4.864 1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 52 23.810 -4.132 1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 52 23.129 -7.089 1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 52 24.089 -6.321 0.296 1.00 0.00 H new ATOM 0 HE ARG A 52 24.960 -7.057 2.996 1.00 0.00 H new ATOM 0 HH11 ARG A 52 25.573 -4.918 0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 52 27.300 -4.782 0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 52 27.178 -6.939 3.387 1.00 0.00 H new ATOM 0 HH22 ARG A 52 28.207 -5.924 2.370 1.00 0.00 H new ATOM 848 N GLN A 53 19.733 -4.684 3.278 1.00 0.00 N ATOM 849 CA GLN A 53 18.401 -4.959 2.748 1.00 0.00 C ATOM 850 C GLN A 53 17.570 -3.685 2.753 1.00 0.00 C ATOM 851 O GLN A 53 16.942 -3.338 1.751 1.00 0.00 O ATOM 852 CB GLN A 53 17.725 -6.056 3.585 1.00 0.00 C ATOM 853 CG GLN A 53 16.424 -6.604 3.002 1.00 0.00 C ATOM 854 CD GLN A 53 15.183 -5.829 3.429 1.00 0.00 C ATOM 855 OE1 GLN A 53 14.583 -6.120 4.463 1.00 0.00 O ATOM 856 NE2 GLN A 53 14.771 -4.861 2.626 1.00 0.00 N ATOM 0 H GLN A 53 19.978 -5.231 4.104 1.00 0.00 H new ATOM 0 HA GLN A 53 18.484 -5.311 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.426 -6.881 3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.521 -5.659 4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.491 -6.593 1.914 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.312 -7.645 3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.293 -4.646 1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.932 -4.330 2.857 1.00 0.00 H new ATOM 865 N HIS A 54 17.601 -2.985 3.880 1.00 0.00 N ATOM 866 CA HIS A 54 16.840 -1.753 4.056 1.00 0.00 C ATOM 867 C HIS A 54 17.187 -0.726 2.981 1.00 0.00 C ATOM 868 O HIS A 54 16.308 -0.040 2.462 1.00 0.00 O ATOM 869 CB HIS A 54 17.109 -1.165 5.449 1.00 0.00 C ATOM 870 CG HIS A 54 16.345 0.094 5.738 1.00 0.00 C ATOM 871 ND1 HIS A 54 16.927 1.344 5.738 1.00 0.00 N ATOM 872 CD2 HIS A 54 15.039 0.290 6.040 1.00 0.00 C ATOM 873 CE1 HIS A 54 16.016 2.251 6.034 1.00 0.00 C ATOM 874 NE2 HIS A 54 14.863 1.638 6.219 1.00 0.00 N ATOM 0 H HIS A 54 18.152 -3.253 4.695 1.00 0.00 H new ATOM 0 HA HIS A 54 15.781 -1.995 3.962 1.00 0.00 H new ATOM 0 HB2 HIS A 54 16.857 -1.912 6.202 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.175 -0.961 5.546 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.279 -0.473 6.124 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.186 3.315 6.112 1.00 0.00 H new ATOM 0 HE2 HIS A 54 13.982 2.093 6.457 1.00 0.00 H new ATOM 883 N GLU A 55 18.463 -0.628 2.649 1.00 0.00 N ATOM 884 CA GLU A 55 18.924 0.379 1.705 1.00 0.00 C ATOM 885 C GLU A 55 18.776 -0.097 0.257 1.00 0.00 C ATOM 886 O GLU A 55 18.359 0.670 -0.607 1.00 0.00 O ATOM 887 CB GLU A 55 20.380 0.745 2.005 1.00 0.00 C ATOM 888 CG GLU A 55 20.833 2.042 1.352 1.00 0.00 C ATOM 889 CD GLU A 55 19.987 3.235 1.768 1.00 0.00 C ATOM 890 OE1 GLU A 55 19.546 3.284 2.938 1.00 0.00 O ATOM 891 OE2 GLU A 55 19.772 4.135 0.928 1.00 0.00 O ATOM 0 H GLU A 55 19.198 -1.232 3.018 1.00 0.00 H new ATOM 0 HA GLU A 55 18.300 1.265 1.822 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.509 0.828 3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.026 -0.066 1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.874 2.231 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 55 20.791 1.932 0.268 1.00 0.00 H new ATOM 898 N ARG A 56 19.106 -1.362 -0.002 1.00 0.00 N ATOM 899 CA ARG A 56 19.028 -1.918 -1.358 1.00 0.00 C ATOM 900 C ARG A 56 17.599 -1.940 -1.881 1.00 0.00 C ATOM 901 O ARG A 56 17.346 -1.613 -3.042 1.00 0.00 O ATOM 902 CB ARG A 56 19.589 -3.341 -1.403 1.00 0.00 C ATOM 903 CG ARG A 56 21.098 -3.418 -1.540 1.00 0.00 C ATOM 904 CD ARG A 56 21.544 -4.856 -1.766 1.00 0.00 C ATOM 905 NE ARG A 56 20.866 -5.460 -2.916 1.00 0.00 N ATOM 906 CZ ARG A 56 20.651 -6.772 -3.059 1.00 0.00 C ATOM 907 NH1 ARG A 56 21.061 -7.625 -2.127 1.00 0.00 N ATOM 908 NH2 ARG A 56 20.027 -7.239 -4.135 1.00 0.00 N ATOM 0 H ARG A 56 19.429 -2.022 0.705 1.00 0.00 H new ATOM 0 HA ARG A 56 19.627 -1.266 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 56 19.292 -3.864 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 56 19.133 -3.871 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 56 21.425 -2.795 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 56 21.571 -3.022 -0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 56 22.622 -4.882 -1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 56 21.339 -5.445 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 56 20.537 -4.839 -3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 56 21.543 -7.280 -1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.894 -8.625 -2.242 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.708 -6.595 -4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.867 -8.241 -4.237 1.00 0.00 H new ATOM 922 N ASP A 57 16.670 -2.334 -1.025 1.00 0.00 N ATOM 923 CA ASP A 57 15.281 -2.501 -1.435 1.00 0.00 C ATOM 924 C ASP A 57 14.596 -1.148 -1.599 1.00 0.00 C ATOM 925 O ASP A 57 13.592 -1.029 -2.300 1.00 0.00 O ATOM 926 CB ASP A 57 14.534 -3.372 -0.424 1.00 0.00 C ATOM 927 CG ASP A 57 13.116 -3.689 -0.856 1.00 0.00 C ATOM 928 OD1 ASP A 57 12.937 -4.479 -1.812 1.00 0.00 O ATOM 929 OD2 ASP A 57 12.175 -3.157 -0.236 1.00 0.00 O ATOM 0 H ASP A 57 16.850 -2.544 -0.043 1.00 0.00 H new ATOM 0 HA ASP A 57 15.263 -3.002 -2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.082 -4.303 -0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.510 -2.863 0.540 1.00 0.00 H new ATOM 934 N THR A 58 15.153 -0.127 -0.966 1.00 0.00 N ATOM 935 CA THR A 58 14.628 1.219 -1.095 1.00 0.00 C ATOM 936 C THR A 58 15.212 1.899 -2.332 1.00 0.00 C ATOM 937 O THR A 58 16.380 2.290 -2.348 1.00 0.00 O ATOM 938 CB THR A 58 14.937 2.067 0.156 1.00 0.00 C ATOM 939 OG1 THR A 58 14.428 1.411 1.326 1.00 0.00 O ATOM 940 CG2 THR A 58 14.311 3.451 0.048 1.00 0.00 C ATOM 0 H THR A 58 15.968 -0.207 -0.358 1.00 0.00 H new ATOM 0 HA THR A 58 13.546 1.142 -1.198 1.00 0.00 H new ATOM 0 HB THR A 58 16.019 2.177 0.230 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.165 0.979 1.806 1.00 0.00 H new ATOM 0 HG21 THR A 58 14.545 4.027 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.710 3.963 -0.828 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.230 3.355 -0.049 1.00 0.00 H new ATOM 948 N GLY A 59 14.400 2.003 -3.378 1.00 0.00 N ATOM 949 CA GLY A 59 14.837 2.650 -4.600 1.00 0.00 C ATOM 950 C GLY A 59 15.078 4.134 -4.412 1.00 0.00 C ATOM 951 O GLY A 59 14.606 4.730 -3.442 1.00 0.00 O ATOM 0 H GLY A 59 13.444 1.649 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.754 2.177 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 59 14.085 2.502 -5.375 1.00 0.00 H new ATOM 955 N GLY A 60 15.818 4.731 -5.334 1.00 0.00 N ATOM 956 CA GLY A 60 16.117 6.144 -5.234 1.00 0.00 C ATOM 957 C GLY A 60 15.856 6.897 -6.525 1.00 0.00 C ATOM 958 O GLY A 60 15.781 8.126 -6.526 1.00 0.00 O ATOM 0 H GLY A 60 16.216 4.263 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.516 6.582 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.162 6.270 -4.951 1.00 0.00 H new ATOM 962 N ASP A 61 15.700 6.162 -7.626 1.00 0.00 N ATOM 963 CA ASP A 61 15.484 6.786 -8.933 1.00 0.00 C ATOM 964 C ASP A 61 14.051 7.284 -9.071 1.00 0.00 C ATOM 965 O ASP A 61 13.677 7.846 -10.098 1.00 0.00 O ATOM 966 CB ASP A 61 15.815 5.815 -10.078 1.00 0.00 C ATOM 967 CG ASP A 61 14.828 4.671 -10.207 1.00 0.00 C ATOM 968 OD1 ASP A 61 13.822 4.822 -10.934 1.00 0.00 O ATOM 969 OD2 ASP A 61 15.061 3.605 -9.595 1.00 0.00 O ATOM 0 H ASP A 61 15.719 5.142 -7.641 1.00 0.00 H new ATOM 0 HA ASP A 61 16.159 7.639 -9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.842 6.369 -11.017 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.813 5.407 -9.920 1.00 0.00 H new ATOM 974 N ASP A 62 13.253 7.091 -8.027 1.00 0.00 N ATOM 975 CA ASP A 62 11.875 7.564 -8.027 1.00 0.00 C ATOM 976 C ASP A 62 11.829 9.061 -7.745 1.00 0.00 C ATOM 977 O ASP A 62 10.776 9.691 -7.850 1.00 0.00 O ATOM 978 CB ASP A 62 11.030 6.807 -6.994 1.00 0.00 C ATOM 979 CG ASP A 62 11.420 7.121 -5.563 1.00 0.00 C ATOM 980 OD1 ASP A 62 12.389 6.516 -5.065 1.00 0.00 O ATOM 981 OD2 ASP A 62 10.744 7.958 -4.923 1.00 0.00 O ATOM 0 H ASP A 62 13.536 6.612 -7.172 1.00 0.00 H new ATOM 0 HA ASP A 62 11.455 7.375 -9.015 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.979 7.055 -7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.131 5.735 -7.165 1.00 0.00 H new ATOM 986 N GLY A 63 12.979 9.621 -7.393 1.00 0.00 N ATOM 987 CA GLY A 63 13.067 11.043 -7.146 1.00 0.00 C ATOM 988 C GLY A 63 12.737 11.390 -5.715 1.00 0.00 C ATOM 989 O GLY A 63 11.607 11.766 -5.413 1.00 0.00 O ATOM 0 H GLY A 63 13.855 9.112 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.073 11.390 -7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 63 12.385 11.570 -7.813 1.00 0.00 H new ATOM 993 N GLY A 64 13.716 11.247 -4.833 1.00 0.00 N ATOM 994 CA GLY A 64 13.505 11.562 -3.436 1.00 0.00 C ATOM 995 C GLY A 64 13.467 13.055 -3.178 1.00 0.00 C ATOM 996 O GLY A 64 14.453 13.753 -3.434 1.00 0.00 O ATOM 0 H GLY A 64 14.654 10.918 -5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.568 11.115 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.301 11.114 -2.841 1.00 0.00 H new ATOM 1000 N LEU A 65 12.324 13.532 -2.681 1.00 0.00 N ATOM 1001 CA LEU A 65 12.116 14.946 -2.357 1.00 0.00 C ATOM 1002 C LEU A 65 12.053 15.807 -3.619 1.00 0.00 C ATOM 1003 O LEU A 65 13.009 15.884 -4.393 1.00 0.00 O ATOM 1004 CB LEU A 65 13.200 15.477 -1.401 1.00 0.00 C ATOM 1005 CG LEU A 65 13.063 15.065 0.074 1.00 0.00 C ATOM 1006 CD1 LEU A 65 13.317 13.577 0.261 1.00 0.00 C ATOM 1007 CD2 LEU A 65 14.014 15.873 0.939 1.00 0.00 C ATOM 0 H LEU A 65 11.512 12.945 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 65 11.154 15.014 -1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.171 15.139 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.201 16.566 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 65 12.039 15.272 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.212 13.320 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.595 13.008 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 65 14.326 13.335 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.905 15.570 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.040 15.697 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.781 16.933 0.844 1.00 0.00 H new ATOM 1019 N THR A 66 10.922 16.462 -3.821 1.00 0.00 N ATOM 1020 CA THR A 66 10.736 17.321 -4.975 1.00 0.00 C ATOM 1021 C THR A 66 11.139 18.753 -4.632 1.00 0.00 C ATOM 1022 O THR A 66 11.465 19.549 -5.509 1.00 0.00 O ATOM 1023 CB THR A 66 9.268 17.310 -5.437 1.00 0.00 C ATOM 1024 OG1 THR A 66 8.657 16.057 -5.097 1.00 0.00 O ATOM 1025 CG2 THR A 66 9.170 17.527 -6.939 1.00 0.00 C ATOM 0 H THR A 66 10.117 16.414 -3.197 1.00 0.00 H new ATOM 0 HA THR A 66 11.365 16.942 -5.781 1.00 0.00 H new ATOM 0 HB THR A 66 8.747 18.123 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.723 16.058 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.123 17.515 -7.241 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.611 18.490 -7.197 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.706 16.732 -7.457 1.00 0.00 H new ATOM 1033 N THR A 67 11.123 19.063 -3.337 1.00 0.00 N ATOM 1034 CA THR A 67 11.420 20.407 -2.857 1.00 0.00 C ATOM 1035 C THR A 67 12.909 20.737 -2.990 1.00 0.00 C ATOM 1036 O THR A 67 13.288 21.906 -3.089 1.00 0.00 O ATOM 1037 CB THR A 67 10.970 20.580 -1.381 1.00 0.00 C ATOM 1038 OG1 THR A 67 11.172 21.932 -0.945 1.00 0.00 O ATOM 1039 CG2 THR A 67 11.728 19.638 -0.457 1.00 0.00 C ATOM 0 H THR A 67 10.905 18.394 -2.598 1.00 0.00 H new ATOM 0 HA THR A 67 10.860 21.103 -3.482 1.00 0.00 H new ATOM 0 HB THR A 67 9.908 20.338 -1.336 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.881 22.022 -0.013 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.390 19.784 0.569 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.542 18.607 -0.757 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.796 19.848 -0.520 1.00 0.00 H new ATOM 1047 N ALA A 68 13.749 19.709 -3.009 1.00 0.00 N ATOM 1048 CA ALA A 68 15.188 19.910 -3.102 1.00 0.00 C ATOM 1049 C ALA A 68 15.677 19.659 -4.521 1.00 0.00 C ATOM 1050 O ALA A 68 16.189 18.584 -4.838 1.00 0.00 O ATOM 1051 CB ALA A 68 15.919 19.013 -2.115 1.00 0.00 C ATOM 0 H ALA A 68 13.459 18.732 -2.961 1.00 0.00 H new ATOM 0 HA ALA A 68 15.405 20.947 -2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 68 16.993 19.178 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.595 19.248 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 68 15.694 17.970 -2.336 1.00 0.00 H new ATOM 1057 N GLU A 69 15.502 20.652 -5.377 1.00 0.00 N ATOM 1058 CA GLU A 69 15.876 20.518 -6.775 1.00 0.00 C ATOM 1059 C GLU A 69 17.274 21.044 -7.047 1.00 0.00 C ATOM 1060 O GLU A 69 17.782 21.911 -6.330 1.00 0.00 O ATOM 1061 CB GLU A 69 14.867 21.215 -7.682 1.00 0.00 C ATOM 1062 CG GLU A 69 13.860 20.257 -8.287 1.00 0.00 C ATOM 1063 CD GLU A 69 14.535 19.098 -8.996 1.00 0.00 C ATOM 1064 OE1 GLU A 69 15.586 19.313 -9.636 1.00 0.00 O ATOM 1065 OE2 GLU A 69 14.021 17.961 -8.912 1.00 0.00 O ATOM 0 H GLU A 69 15.104 21.558 -5.129 1.00 0.00 H new ATOM 0 HA GLU A 69 15.874 19.451 -6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.338 21.978 -7.111 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.399 21.729 -8.483 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.208 19.872 -7.502 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.226 20.794 -8.993 1.00 0.00 H new ATOM 1072 N ARG A 70 17.884 20.482 -8.091 1.00 0.00 N ATOM 1073 CA ARG A 70 19.255 20.796 -8.511 1.00 0.00 C ATOM 1074 C ARG A 70 20.270 20.536 -7.390 1.00 0.00 C ATOM 1075 O ARG A 70 21.444 20.893 -7.503 1.00 0.00 O ATOM 1076 CB ARG A 70 19.366 22.239 -9.016 1.00 0.00 C ATOM 1077 CG ARG A 70 20.456 22.415 -10.060 1.00 0.00 C ATOM 1078 CD ARG A 70 20.531 23.844 -10.570 1.00 0.00 C ATOM 1079 NE ARG A 70 21.024 24.772 -9.553 1.00 0.00 N ATOM 1080 CZ ARG A 70 22.209 25.379 -9.614 1.00 0.00 C ATOM 1081 NH1 ARG A 70 23.021 25.160 -10.641 1.00 0.00 N ATOM 1082 NH2 ARG A 70 22.583 26.212 -8.650 1.00 0.00 N ATOM 0 H ARG A 70 17.433 19.783 -8.681 1.00 0.00 H new ATOM 0 HA ARG A 70 19.495 20.126 -9.336 1.00 0.00 H new ATOM 0 HB2 ARG A 70 18.410 22.545 -9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 70 19.567 22.900 -8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 70 21.417 22.132 -9.631 1.00 0.00 H new ATOM 0 HG3 ARG A 70 20.269 21.741 -10.896 1.00 0.00 H new ATOM 0 HD2 ARG A 70 21.185 23.882 -11.441 1.00 0.00 H new ATOM 0 HD3 ARG A 70 19.542 24.162 -10.900 1.00 0.00 H new ATOM 0 HE ARG A 70 20.426 24.966 -8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 70 22.739 24.525 -11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 70 23.927 25.627 -10.683 1.00 0.00 H new ATOM 0 HH21 ARG A 70 21.963 26.389 -7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 70 23.491 26.675 -8.700 1.00 0.00 H new ATOM 1096 N GLN A 71 19.814 19.907 -6.312 1.00 0.00 N ATOM 1097 CA GLN A 71 20.697 19.465 -5.241 1.00 0.00 C ATOM 1098 C GLN A 71 21.333 18.143 -5.657 1.00 0.00 C ATOM 1099 O GLN A 71 22.303 17.671 -5.063 1.00 0.00 O ATOM 1100 CB GLN A 71 19.901 19.307 -3.940 1.00 0.00 C ATOM 1101 CG GLN A 71 20.737 18.910 -2.735 1.00 0.00 C ATOM 1102 CD GLN A 71 19.923 18.900 -1.456 1.00 0.00 C ATOM 1103 OE1 GLN A 71 19.831 19.912 -0.762 1.00 0.00 O ATOM 1104 NE2 GLN A 71 19.325 17.764 -1.137 1.00 0.00 N ATOM 0 H GLN A 71 18.829 19.691 -6.157 1.00 0.00 H new ATOM 0 HA GLN A 71 21.480 20.202 -5.065 1.00 0.00 H new ATOM 0 HB2 GLN A 71 19.395 20.248 -3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 71 19.126 18.556 -4.092 1.00 0.00 H new ATOM 0 HG2 GLN A 71 21.164 17.921 -2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.571 19.604 -2.628 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.427 16.947 -1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.762 17.705 -0.288 1.00 0.00 H new ATOM 1113 N ARG A 72 20.763 17.574 -6.705 1.00 0.00 N ATOM 1114 CA ARG A 72 21.239 16.339 -7.296 1.00 0.00 C ATOM 1115 C ARG A 72 21.787 16.625 -8.687 1.00 0.00 C ATOM 1116 O ARG A 72 21.218 17.430 -9.426 1.00 0.00 O ATOM 1117 CB ARG A 72 20.092 15.324 -7.358 1.00 0.00 C ATOM 1118 CG ARG A 72 18.784 15.938 -7.831 1.00 0.00 C ATOM 1119 CD ARG A 72 17.608 15.003 -7.615 1.00 0.00 C ATOM 1120 NE ARG A 72 16.329 15.711 -7.676 1.00 0.00 N ATOM 1121 CZ ARG A 72 15.391 15.625 -6.732 1.00 0.00 C ATOM 1122 NH1 ARG A 72 15.580 14.838 -5.679 1.00 0.00 N ATOM 1123 NH2 ARG A 72 14.266 16.320 -6.840 1.00 0.00 N ATOM 0 H ARG A 72 19.946 17.963 -7.174 1.00 0.00 H new ATOM 0 HA ARG A 72 22.038 15.918 -6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 72 20.369 14.511 -8.029 1.00 0.00 H new ATOM 0 HB3 ARG A 72 19.946 14.887 -6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 72 18.608 16.872 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 72 18.861 16.185 -8.890 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.625 14.218 -8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.706 14.514 -6.646 1.00 0.00 H new ATOM 0 HE ARG A 72 16.145 16.303 -8.486 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.442 14.300 -5.593 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.863 14.772 -4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.115 16.924 -7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.552 16.250 -6.115 1.00 0.00 H new ATOM 1137 N LEU A 73 22.899 15.992 -9.031 1.00 0.00 N ATOM 1138 CA LEU A 73 23.533 16.221 -10.324 1.00 0.00 C ATOM 1139 C LEU A 73 22.794 15.476 -11.427 1.00 0.00 C ATOM 1140 O LEU A 73 22.895 14.253 -11.543 1.00 0.00 O ATOM 1141 CB LEU A 73 25.010 15.800 -10.304 1.00 0.00 C ATOM 1142 CG LEU A 73 25.959 16.697 -9.489 1.00 0.00 C ATOM 1143 CD1 LEU A 73 25.785 18.162 -9.871 1.00 0.00 C ATOM 1144 CD2 LEU A 73 25.752 16.504 -7.991 1.00 0.00 C ATOM 0 H LEU A 73 23.381 15.318 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 73 23.485 17.291 -10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 73 25.072 14.786 -9.909 1.00 0.00 H new ATOM 0 HB3 LEU A 73 25.370 15.764 -11.332 1.00 0.00 H new ATOM 0 HG LEU A 73 26.980 16.400 -9.728 1.00 0.00 H new ATOM 0 HD11 LEU A 73 26.466 18.775 -9.281 1.00 0.00 H new ATOM 0 HD12 LEU A 73 26.006 18.290 -10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 73 24.758 18.470 -9.675 1.00 0.00 H new ATOM 0 HD21 LEU A 73 26.437 17.151 -7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 73 24.725 16.758 -7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 73 25.946 15.464 -7.728 1.00 0.00 H new ATOM 1156 N LYS A 74 22.046 16.216 -12.234 1.00 0.00 N ATOM 1157 CA LYS A 74 21.295 15.622 -13.329 1.00 0.00 C ATOM 1158 C LYS A 74 22.018 15.858 -14.654 1.00 0.00 C ATOM 1159 O LYS A 74 21.620 16.712 -15.448 1.00 0.00 O ATOM 1160 CB LYS A 74 19.871 16.192 -13.389 1.00 0.00 C ATOM 1161 CG LYS A 74 19.012 15.579 -14.487 1.00 0.00 C ATOM 1162 CD LYS A 74 17.675 16.289 -14.620 1.00 0.00 C ATOM 1163 CE LYS A 74 16.888 15.770 -15.816 1.00 0.00 C ATOM 1164 NZ LYS A 74 17.641 15.945 -17.090 1.00 0.00 N ATOM 0 H LYS A 74 21.944 17.227 -12.150 1.00 0.00 H new ATOM 0 HA LYS A 74 21.224 14.549 -13.153 1.00 0.00 H new ATOM 0 HB2 LYS A 74 19.384 16.032 -12.427 1.00 0.00 H new ATOM 0 HB3 LYS A 74 19.927 17.270 -13.542 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.546 15.628 -15.436 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.843 14.524 -14.270 1.00 0.00 H new ATOM 0 HD2 LYS A 74 17.093 16.146 -13.710 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.840 17.361 -14.728 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.659 14.714 -15.671 1.00 0.00 H new ATOM 0 HE3 LYS A 74 15.936 16.296 -15.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.997 16.293 -17.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 18.409 16.632 -16.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.044 15.032 -17.383 1.00 0.00 H new ATOM 1178 N GLU A 75 23.107 15.123 -14.852 1.00 0.00 N ATOM 1179 CA GLU A 75 23.893 15.175 -16.085 1.00 0.00 C ATOM 1180 C GLU A 75 24.886 14.022 -16.125 1.00 0.00 C ATOM 1181 O GLU A 75 25.617 13.791 -15.161 1.00 0.00 O ATOM 1182 CB GLU A 75 24.663 16.499 -16.219 1.00 0.00 C ATOM 1183 CG GLU A 75 23.944 17.560 -17.035 1.00 0.00 C ATOM 1184 CD GLU A 75 23.535 17.066 -18.410 1.00 0.00 C ATOM 1185 OE1 GLU A 75 24.405 16.573 -19.155 1.00 0.00 O ATOM 1186 OE2 GLU A 75 22.339 17.170 -18.752 1.00 0.00 O ATOM 0 H GLU A 75 23.473 14.470 -14.159 1.00 0.00 H new ATOM 0 HA GLU A 75 23.191 15.097 -16.916 1.00 0.00 H new ATOM 0 HB2 GLU A 75 24.859 16.894 -15.222 1.00 0.00 H new ATOM 0 HB3 GLU A 75 25.631 16.298 -16.678 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.057 17.890 -16.494 1.00 0.00 H new ATOM 0 HG3 GLU A 75 24.592 18.429 -17.144 1.00 0.00 H new ATOM 1193 N PRO A 76 24.912 13.274 -17.236 1.00 0.00 N ATOM 1194 CA PRO A 76 25.911 12.225 -17.449 1.00 0.00 C ATOM 1195 C PRO A 76 27.315 12.810 -17.540 1.00 0.00 C ATOM 1196 O PRO A 76 28.270 12.265 -16.986 1.00 0.00 O ATOM 1197 CB PRO A 76 25.508 11.596 -18.787 1.00 0.00 C ATOM 1198 CG PRO A 76 24.098 12.031 -19.019 1.00 0.00 C ATOM 1199 CD PRO A 76 23.963 13.370 -18.356 1.00 0.00 C ATOM 0 HA PRO A 76 25.936 11.507 -16.629 1.00 0.00 H new ATOM 0 HB2 PRO A 76 26.161 11.933 -19.592 1.00 0.00 H new ATOM 0 HB3 PRO A 76 25.583 10.509 -18.749 1.00 0.00 H new ATOM 0 HG2 PRO A 76 23.882 12.100 -20.085 1.00 0.00 H new ATOM 0 HG3 PRO A 76 23.394 11.314 -18.597 1.00 0.00 H new ATOM 0 HD2 PRO A 76 24.218 14.185 -19.034 1.00 0.00 H new ATOM 0 HD3 PRO A 76 22.945 13.550 -18.010 1.00 0.00 H new ATOM 1207 N GLU A 77 27.425 13.936 -18.232 1.00 0.00 N ATOM 1208 CA GLU A 77 28.693 14.631 -18.363 1.00 0.00 C ATOM 1209 C GLU A 77 28.773 15.780 -17.370 1.00 0.00 C ATOM 1210 O GLU A 77 28.108 16.807 -17.526 1.00 0.00 O ATOM 1211 CB GLU A 77 28.891 15.147 -19.789 1.00 0.00 C ATOM 1212 CG GLU A 77 29.123 14.046 -20.807 1.00 0.00 C ATOM 1213 CD GLU A 77 30.359 13.228 -20.505 1.00 0.00 C ATOM 1214 OE1 GLU A 77 31.472 13.793 -20.507 1.00 0.00 O ATOM 1215 OE2 GLU A 77 30.231 12.013 -20.258 1.00 0.00 O ATOM 0 H GLU A 77 26.646 14.387 -18.712 1.00 0.00 H new ATOM 0 HA GLU A 77 29.491 13.922 -18.144 1.00 0.00 H new ATOM 0 HB2 GLU A 77 28.014 15.723 -20.083 1.00 0.00 H new ATOM 0 HB3 GLU A 77 29.741 15.830 -19.805 1.00 0.00 H new ATOM 0 HG2 GLU A 77 28.254 13.389 -20.831 1.00 0.00 H new ATOM 0 HG3 GLU A 77 29.217 14.487 -21.799 1.00 0.00 H new ATOM 1222 N ARG A 78 29.570 15.589 -16.336 1.00 0.00 N ATOM 1223 CA ARG A 78 29.793 16.624 -15.342 1.00 0.00 C ATOM 1224 C ARG A 78 31.268 16.704 -14.994 1.00 0.00 C ATOM 1225 O ARG A 78 31.932 17.699 -15.283 1.00 0.00 O ATOM 1226 CB ARG A 78 28.976 16.356 -14.073 1.00 0.00 C ATOM 1227 CG ARG A 78 27.807 17.306 -13.878 1.00 0.00 C ATOM 1228 CD ARG A 78 28.258 18.756 -13.943 1.00 0.00 C ATOM 1229 NE ARG A 78 27.243 19.675 -13.438 1.00 0.00 N ATOM 1230 CZ ARG A 78 26.264 20.193 -14.175 1.00 0.00 C ATOM 1231 NH1 ARG A 78 26.127 19.853 -15.452 1.00 0.00 N ATOM 1232 NH2 ARG A 78 25.420 21.058 -13.630 1.00 0.00 N ATOM 0 H ARG A 78 30.077 14.721 -16.161 1.00 0.00 H new ATOM 0 HA ARG A 78 29.468 17.574 -15.766 1.00 0.00 H new ATOM 0 HB2 ARG A 78 28.599 15.334 -14.105 1.00 0.00 H new ATOM 0 HB3 ARG A 78 29.635 16.425 -13.208 1.00 0.00 H new ATOM 0 HG2 ARG A 78 27.054 17.122 -14.645 1.00 0.00 H new ATOM 0 HG3 ARG A 78 27.335 17.112 -12.915 1.00 0.00 H new ATOM 0 HD2 ARG A 78 29.174 18.876 -13.364 1.00 0.00 H new ATOM 0 HD3 ARG A 78 28.497 19.014 -14.975 1.00 0.00 H new ATOM 0 HE ARG A 78 27.287 19.938 -12.453 1.00 0.00 H new ATOM 0 HH11 ARG A 78 26.776 19.189 -15.875 1.00 0.00 H new ATOM 0 HH12 ARG A 78 25.373 20.256 -16.009 1.00 0.00 H new ATOM 0 HH21 ARG A 78 25.523 21.323 -12.650 1.00 0.00 H new ATOM 0 HH22 ARG A 78 24.668 21.458 -14.190 1.00 0.00 H new ATOM 1246 N GLU A 79 31.773 15.641 -14.384 1.00 0.00 N ATOM 1247 CA GLU A 79 33.160 15.583 -13.946 1.00 0.00 C ATOM 1248 C GLU A 79 33.743 14.211 -14.227 1.00 0.00 C ATOM 1249 O GLU A 79 33.198 13.195 -13.797 1.00 0.00 O ATOM 1250 CB GLU A 79 33.266 15.892 -12.449 1.00 0.00 C ATOM 1251 CG GLU A 79 33.015 17.349 -12.110 1.00 0.00 C ATOM 1252 CD GLU A 79 34.178 18.243 -12.489 1.00 0.00 C ATOM 1253 OE1 GLU A 79 34.412 18.457 -13.694 1.00 0.00 O ATOM 1254 OE2 GLU A 79 34.856 18.753 -11.574 1.00 0.00 O ATOM 0 H GLU A 79 31.236 14.798 -14.180 1.00 0.00 H new ATOM 0 HA GLU A 79 33.724 16.332 -14.501 1.00 0.00 H new ATOM 0 HB2 GLU A 79 32.551 15.273 -11.907 1.00 0.00 H new ATOM 0 HB3 GLU A 79 34.259 15.612 -12.098 1.00 0.00 H new ATOM 0 HG2 GLU A 79 32.117 17.689 -12.626 1.00 0.00 H new ATOM 0 HG3 GLU A 79 32.823 17.442 -11.041 1.00 0.00 H new ATOM 1261 N ASN A 80 34.836 14.183 -14.968 1.00 0.00 N ATOM 1262 CA ASN A 80 35.541 12.942 -15.240 1.00 0.00 C ATOM 1263 C ASN A 80 36.998 13.092 -14.835 1.00 0.00 C ATOM 1264 O ASN A 80 37.592 14.157 -15.012 1.00 0.00 O ATOM 1265 CB ASN A 80 35.435 12.557 -16.725 1.00 0.00 C ATOM 1266 CG ASN A 80 36.079 13.576 -17.646 1.00 0.00 C ATOM 1267 OD1 ASN A 80 37.273 13.499 -17.938 1.00 0.00 O ATOM 1268 ND2 ASN A 80 35.290 14.524 -18.131 1.00 0.00 N ATOM 0 H ASN A 80 35.257 15.009 -15.394 1.00 0.00 H new ATOM 0 HA ASN A 80 35.081 12.143 -14.658 1.00 0.00 H new ATOM 0 HB2 ASN A 80 35.907 11.587 -16.878 1.00 0.00 H new ATOM 0 HB3 ASN A 80 34.384 12.446 -16.992 1.00 0.00 H new ATOM 0 HD21 ASN A 80 35.667 15.224 -18.770 1.00 0.00 H new ATOM 0 HD22 ASN A 80 34.306 14.554 -17.865 1.00 0.00 H new ATOM 1275 N ARG A 81 37.565 12.039 -14.270 1.00 0.00 N ATOM 1276 CA ARG A 81 38.952 12.074 -13.846 1.00 0.00 C ATOM 1277 C ARG A 81 39.865 11.691 -15.001 1.00 0.00 C ATOM 1278 O ARG A 81 39.505 10.868 -15.846 1.00 0.00 O ATOM 1279 CB ARG A 81 39.179 11.145 -12.651 1.00 0.00 C ATOM 1280 CG ARG A 81 40.602 11.190 -12.116 1.00 0.00 C ATOM 1281 CD ARG A 81 40.782 10.281 -10.916 1.00 0.00 C ATOM 1282 NE ARG A 81 39.992 10.726 -9.774 1.00 0.00 N ATOM 1283 CZ ARG A 81 39.521 9.912 -8.835 1.00 0.00 C ATOM 1284 NH1 ARG A 81 39.716 8.604 -8.924 1.00 0.00 N ATOM 1285 NH2 ARG A 81 38.840 10.405 -7.812 1.00 0.00 N ATOM 0 H ARG A 81 37.088 11.154 -14.096 1.00 0.00 H new ATOM 0 HA ARG A 81 39.191 13.091 -13.534 1.00 0.00 H new ATOM 0 HB2 ARG A 81 38.489 11.417 -11.852 1.00 0.00 H new ATOM 0 HB3 ARG A 81 38.941 10.123 -12.944 1.00 0.00 H new ATOM 0 HG2 ARG A 81 41.296 10.894 -12.903 1.00 0.00 H new ATOM 0 HG3 ARG A 81 40.853 12.213 -11.838 1.00 0.00 H new ATOM 0 HD2 ARG A 81 40.493 9.265 -11.184 1.00 0.00 H new ATOM 0 HD3 ARG A 81 41.836 10.250 -10.639 1.00 0.00 H new ATOM 0 HE ARG A 81 39.789 11.722 -9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 81 40.230 8.218 -9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 81 39.352 7.984 -8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 81 38.677 11.410 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 81 38.479 9.780 -7.091 1.00 0.00 H new ATOM 1299 N GLU A 82 41.035 12.307 -15.042 1.00 0.00 N ATOM 1300 CA GLU A 82 42.011 12.047 -16.086 1.00 0.00 C ATOM 1301 C GLU A 82 42.560 10.630 -15.969 1.00 0.00 C ATOM 1302 O GLU A 82 42.657 10.086 -14.867 1.00 0.00 O ATOM 1303 CB GLU A 82 43.158 13.049 -15.981 1.00 0.00 C ATOM 1304 CG GLU A 82 42.699 14.494 -15.987 1.00 0.00 C ATOM 1305 CD GLU A 82 43.822 15.455 -15.673 1.00 0.00 C ATOM 1306 OE1 GLU A 82 44.527 15.879 -16.607 1.00 0.00 O ATOM 1307 OE2 GLU A 82 44.010 15.791 -14.484 1.00 0.00 O ATOM 0 H GLU A 82 41.334 12.999 -14.355 1.00 0.00 H new ATOM 0 HA GLU A 82 41.519 12.153 -17.053 1.00 0.00 H new ATOM 0 HB2 GLU A 82 43.716 12.857 -15.064 1.00 0.00 H new ATOM 0 HB3 GLU A 82 43.846 12.891 -16.812 1.00 0.00 H new ATOM 0 HG2 GLU A 82 42.280 14.735 -16.964 1.00 0.00 H new ATOM 0 HG3 GLU A 82 41.900 14.622 -15.257 1.00 0.00 H new ATOM 1314 N LEU A 83 42.921 10.041 -17.100 1.00 0.00 N ATOM 1315 CA LEU A 83 43.543 8.728 -17.103 1.00 0.00 C ATOM 1316 C LEU A 83 44.957 8.855 -16.561 1.00 0.00 C ATOM 1317 O LEU A 83 45.425 8.024 -15.780 1.00 0.00 O ATOM 1318 CB LEU A 83 43.560 8.136 -18.515 1.00 0.00 C ATOM 1319 CG LEU A 83 42.181 7.901 -19.136 1.00 0.00 C ATOM 1320 CD1 LEU A 83 42.316 7.338 -20.541 1.00 0.00 C ATOM 1321 CD2 LEU A 83 41.356 6.965 -18.266 1.00 0.00 C ATOM 0 H LEU A 83 42.794 10.452 -18.025 1.00 0.00 H new ATOM 0 HA LEU A 83 42.966 8.053 -16.470 1.00 0.00 H new ATOM 0 HB2 LEU A 83 44.125 8.803 -19.165 1.00 0.00 H new ATOM 0 HB3 LEU A 83 44.096 7.187 -18.488 1.00 0.00 H new ATOM 0 HG LEU A 83 41.666 8.860 -19.197 1.00 0.00 H new ATOM 0 HD11 LEU A 83 41.325 7.178 -20.966 1.00 0.00 H new ATOM 0 HD12 LEU A 83 42.868 8.042 -21.164 1.00 0.00 H new ATOM 0 HD13 LEU A 83 42.852 6.390 -20.503 1.00 0.00 H new ATOM 0 HD21 LEU A 83 40.379 6.810 -18.723 1.00 0.00 H new ATOM 0 HD22 LEU A 83 41.869 6.008 -18.173 1.00 0.00 H new ATOM 0 HD23 LEU A 83 41.228 7.406 -17.277 1.00 0.00 H new ATOM 1333 N ARG A 84 45.630 9.921 -16.970 1.00 0.00 N ATOM 1334 CA ARG A 84 46.921 10.259 -16.407 1.00 0.00 C ATOM 1335 C ARG A 84 46.736 11.220 -15.235 1.00 0.00 C ATOM 1336 O ARG A 84 46.806 12.439 -15.384 1.00 0.00 O ATOM 1337 CB ARG A 84 47.857 10.857 -17.469 1.00 0.00 C ATOM 1338 CG ARG A 84 47.245 11.978 -18.295 1.00 0.00 C ATOM 1339 CD ARG A 84 48.201 13.153 -18.420 1.00 0.00 C ATOM 1340 NE ARG A 84 48.396 13.821 -17.136 1.00 0.00 N ATOM 1341 CZ ARG A 84 49.572 14.220 -16.660 1.00 0.00 C ATOM 1342 NH1 ARG A 84 50.685 14.017 -17.352 1.00 0.00 N ATOM 1343 NH2 ARG A 84 49.625 14.828 -15.483 1.00 0.00 N ATOM 0 H ARG A 84 45.300 10.564 -17.690 1.00 0.00 H new ATOM 0 HA ARG A 84 47.391 9.345 -16.044 1.00 0.00 H new ATOM 0 HB2 ARG A 84 48.752 11.235 -16.974 1.00 0.00 H new ATOM 0 HB3 ARG A 84 48.177 10.061 -18.142 1.00 0.00 H new ATOM 0 HG2 ARG A 84 46.991 11.605 -19.287 1.00 0.00 H new ATOM 0 HG3 ARG A 84 46.316 12.309 -17.831 1.00 0.00 H new ATOM 0 HD2 ARG A 84 49.161 12.804 -18.800 1.00 0.00 H new ATOM 0 HD3 ARG A 84 47.811 13.865 -19.147 1.00 0.00 H new ATOM 0 HE ARG A 84 47.570 13.994 -16.563 1.00 0.00 H new ATOM 0 HH11 ARG A 84 50.644 13.551 -18.258 1.00 0.00 H new ATOM 0 HH12 ARG A 84 51.582 14.327 -16.978 1.00 0.00 H new ATOM 0 HH21 ARG A 84 48.769 14.986 -14.951 1.00 0.00 H new ATOM 0 HH22 ARG A 84 50.522 15.138 -15.109 1.00 0.00 H new ATOM 1357 N ARG A 85 46.442 10.661 -14.071 1.00 0.00 N ATOM 1358 CA ARG A 85 46.231 11.471 -12.880 1.00 0.00 C ATOM 1359 C ARG A 85 47.578 11.869 -12.277 1.00 0.00 C ATOM 1360 O ARG A 85 47.947 13.044 -12.284 1.00 0.00 O ATOM 1361 CB ARG A 85 45.362 10.716 -11.856 1.00 0.00 C ATOM 1362 CG ARG A 85 44.813 11.588 -10.727 1.00 0.00 C ATOM 1363 CD ARG A 85 45.877 11.921 -9.697 1.00 0.00 C ATOM 1364 NE ARG A 85 45.424 12.902 -8.718 1.00 0.00 N ATOM 1365 CZ ARG A 85 46.176 13.335 -7.713 1.00 0.00 C ATOM 1366 NH1 ARG A 85 47.401 12.851 -7.542 1.00 0.00 N ATOM 1367 NH2 ARG A 85 45.701 14.247 -6.880 1.00 0.00 N ATOM 0 H ARG A 85 46.344 9.656 -13.925 1.00 0.00 H new ATOM 0 HA ARG A 85 45.697 12.379 -13.158 1.00 0.00 H new ATOM 0 HB2 ARG A 85 44.526 10.252 -12.379 1.00 0.00 H new ATOM 0 HB3 ARG A 85 45.953 9.910 -11.421 1.00 0.00 H new ATOM 0 HG2 ARG A 85 44.411 12.511 -11.145 1.00 0.00 H new ATOM 0 HG3 ARG A 85 43.986 11.072 -10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 85 46.175 11.009 -9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 85 46.762 12.303 -10.205 1.00 0.00 H new ATOM 0 HE ARG A 85 44.479 13.275 -8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 85 47.765 12.146 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 85 47.978 13.184 -6.770 1.00 0.00 H new ATOM 0 HH21 ARG A 85 44.759 14.616 -7.011 1.00 0.00 H new ATOM 0 HH22 ARG A 85 46.277 14.581 -6.107 1.00 0.00 H new ATOM 1381 N SER A 86 48.306 10.887 -11.759 1.00 0.00 N ATOM 1382 CA SER A 86 49.616 11.143 -11.174 1.00 0.00 C ATOM 1383 C SER A 86 50.722 10.697 -12.125 1.00 0.00 C ATOM 1384 O SER A 86 51.848 11.181 -12.052 1.00 0.00 O ATOM 1385 CB SER A 86 49.747 10.411 -9.836 1.00 0.00 C ATOM 1386 OG SER A 86 48.648 10.708 -8.984 1.00 0.00 O ATOM 0 H SER A 86 48.013 9.910 -11.732 1.00 0.00 H new ATOM 0 HA SER A 86 49.716 12.215 -11.003 1.00 0.00 H new ATOM 0 HB2 SER A 86 49.798 9.336 -10.009 1.00 0.00 H new ATOM 0 HB3 SER A 86 50.678 10.700 -9.349 1.00 0.00 H new ATOM 0 HG SER A 86 48.948 10.707 -8.051 1.00 0.00 H new ATOM 1392 N ASN A 87 50.384 9.781 -13.025 1.00 0.00 N ATOM 1393 CA ASN A 87 51.357 9.232 -13.964 1.00 0.00 C ATOM 1394 C ASN A 87 51.263 9.946 -15.297 1.00 0.00 C ATOM 1395 O ASN A 87 50.261 10.603 -15.583 1.00 0.00 O ATOM 1396 CB ASN A 87 51.118 7.735 -14.189 1.00 0.00 C ATOM 1397 CG ASN A 87 51.271 6.911 -12.928 1.00 0.00 C ATOM 1398 OD1 ASN A 87 52.028 7.261 -12.024 1.00 0.00 O ATOM 1399 ND2 ASN A 87 50.553 5.802 -12.865 1.00 0.00 N ATOM 0 H ASN A 87 49.442 9.402 -13.125 1.00 0.00 H new ATOM 0 HA ASN A 87 52.348 9.377 -13.535 1.00 0.00 H new ATOM 0 HB2 ASN A 87 50.115 7.590 -14.591 1.00 0.00 H new ATOM 0 HB3 ASN A 87 51.818 7.371 -14.941 1.00 0.00 H new ATOM 0 HD21 ASN A 87 50.615 5.200 -12.044 1.00 0.00 H new ATOM 0 HD22 ASN A 87 49.937 5.549 -13.638 1.00 0.00 H new ATOM 1406 N ASP A 88 52.300 9.818 -16.107 1.00 0.00 N ATOM 1407 CA ASP A 88 52.271 10.338 -17.468 1.00 0.00 C ATOM 1408 C ASP A 88 52.423 9.190 -18.458 1.00 0.00 C ATOM 1409 O ASP A 88 52.041 9.301 -19.624 1.00 0.00 O ATOM 1410 CB ASP A 88 53.366 11.388 -17.696 1.00 0.00 C ATOM 1411 CG ASP A 88 54.773 10.818 -17.662 1.00 0.00 C ATOM 1412 OD1 ASP A 88 55.267 10.366 -18.719 1.00 0.00 O ATOM 1413 OD2 ASP A 88 55.406 10.849 -16.584 1.00 0.00 O ATOM 0 H ASP A 88 53.173 9.359 -15.848 1.00 0.00 H new ATOM 0 HA ASP A 88 51.310 10.829 -17.624 1.00 0.00 H new ATOM 0 HB2 ASP A 88 53.201 11.869 -18.660 1.00 0.00 H new ATOM 0 HB3 ASP A 88 53.279 12.163 -16.934 1.00 0.00 H new ATOM 1418 N ILE A 89 52.979 8.085 -17.979 1.00 0.00 N ATOM 1419 CA ILE A 89 53.122 6.884 -18.784 1.00 0.00 C ATOM 1420 C ILE A 89 51.946 5.951 -18.540 1.00 0.00 C ATOM 1421 O ILE A 89 51.830 5.345 -17.475 1.00 0.00 O ATOM 1422 CB ILE A 89 54.436 6.134 -18.474 1.00 0.00 C ATOM 1423 CG1 ILE A 89 55.643 7.044 -18.720 1.00 0.00 C ATOM 1424 CG2 ILE A 89 54.541 4.869 -19.321 1.00 0.00 C ATOM 1425 CD1 ILE A 89 56.974 6.392 -18.410 1.00 0.00 C ATOM 0 H ILE A 89 53.340 7.998 -17.029 1.00 0.00 H new ATOM 0 HA ILE A 89 53.146 7.195 -19.828 1.00 0.00 H new ATOM 0 HB ILE A 89 54.429 5.846 -17.423 1.00 0.00 H new ATOM 0 HG12 ILE A 89 55.639 7.363 -19.762 1.00 0.00 H new ATOM 0 HG13 ILE A 89 55.539 7.942 -18.112 1.00 0.00 H new ATOM 0 HG21 ILE A 89 55.473 4.353 -19.090 1.00 0.00 H new ATOM 0 HG22 ILE A 89 53.699 4.213 -19.101 1.00 0.00 H new ATOM 0 HG23 ILE A 89 54.527 5.136 -20.378 1.00 0.00 H new ATOM 0 HD11 ILE A 89 57.780 7.098 -18.609 1.00 0.00 H new ATOM 0 HD12 ILE A 89 57.000 6.098 -17.361 1.00 0.00 H new ATOM 0 HD13 ILE A 89 57.102 5.510 -19.037 1.00 0.00 H new ATOM 1437 N LEU A 90 51.066 5.864 -19.519 1.00 0.00 N ATOM 1438 CA LEU A 90 49.931 4.959 -19.442 1.00 0.00 C ATOM 1439 C LEU A 90 50.239 3.696 -20.226 1.00 0.00 C ATOM 1440 O LEU A 90 50.047 2.580 -19.743 1.00 0.00 O ATOM 1441 CB LEU A 90 48.669 5.632 -19.992 1.00 0.00 C ATOM 1442 CG LEU A 90 48.233 6.899 -19.251 1.00 0.00 C ATOM 1443 CD1 LEU A 90 47.009 7.507 -19.914 1.00 0.00 C ATOM 1444 CD2 LEU A 90 47.956 6.591 -17.784 1.00 0.00 C ATOM 0 H LEU A 90 51.114 6.410 -20.380 1.00 0.00 H new ATOM 0 HA LEU A 90 49.751 4.701 -18.398 1.00 0.00 H new ATOM 0 HB2 LEU A 90 48.837 5.882 -21.040 1.00 0.00 H new ATOM 0 HB3 LEU A 90 47.850 4.913 -19.963 1.00 0.00 H new ATOM 0 HG LEU A 90 49.044 7.625 -19.299 1.00 0.00 H new ATOM 0 HD11 LEU A 90 46.712 8.407 -19.375 1.00 0.00 H new ATOM 0 HD12 LEU A 90 47.245 7.764 -20.947 1.00 0.00 H new ATOM 0 HD13 LEU A 90 46.191 6.787 -19.897 1.00 0.00 H new ATOM 0 HD21 LEU A 90 47.647 7.503 -17.273 1.00 0.00 H new ATOM 0 HD22 LEU A 90 47.162 5.848 -17.712 1.00 0.00 H new ATOM 0 HD23 LEU A 90 48.861 6.202 -17.317 1.00 0.00 H new ATOM 1456 N ARG A 91 50.741 3.887 -21.435 1.00 0.00 N ATOM 1457 CA ARG A 91 51.137 2.779 -22.287 1.00 0.00 C ATOM 1458 C ARG A 91 52.644 2.598 -22.242 1.00 0.00 C ATOM 1459 O ARG A 91 53.396 3.546 -22.462 1.00 0.00 O ATOM 1460 CB ARG A 91 50.684 3.014 -23.728 1.00 0.00 C ATOM 1461 CG ARG A 91 49.201 2.790 -23.950 1.00 0.00 C ATOM 1462 CD ARG A 91 48.786 3.207 -25.351 1.00 0.00 C ATOM 1463 NE ARG A 91 48.773 4.661 -25.502 1.00 0.00 N ATOM 1464 CZ ARG A 91 49.482 5.332 -26.410 1.00 0.00 C ATOM 1465 NH1 ARG A 91 50.316 4.698 -27.227 1.00 0.00 N ATOM 1466 NH2 ARG A 91 49.362 6.649 -26.486 1.00 0.00 N ATOM 0 H ARG A 91 50.885 4.807 -21.851 1.00 0.00 H new ATOM 0 HA ARG A 91 50.656 1.874 -21.916 1.00 0.00 H new ATOM 0 HB2 ARG A 91 50.934 4.035 -24.015 1.00 0.00 H new ATOM 0 HB3 ARG A 91 51.244 2.351 -24.387 1.00 0.00 H new ATOM 0 HG2 ARG A 91 48.962 1.738 -23.795 1.00 0.00 H new ATOM 0 HG3 ARG A 91 48.631 3.358 -23.215 1.00 0.00 H new ATOM 0 HD2 ARG A 91 49.472 2.772 -26.078 1.00 0.00 H new ATOM 0 HD3 ARG A 91 47.795 2.810 -25.570 1.00 0.00 H new ATOM 0 HE ARG A 91 48.181 5.199 -24.869 1.00 0.00 H new ATOM 0 HH11 ARG A 91 50.420 3.685 -27.164 1.00 0.00 H new ATOM 0 HH12 ARG A 91 50.852 5.224 -27.917 1.00 0.00 H new ATOM 0 HH21 ARG A 91 48.731 7.141 -25.853 1.00 0.00 H new ATOM 0 HH22 ARG A 91 49.900 7.171 -27.177 1.00 0.00 H new ATOM 1480 N LEU A 92 53.079 1.387 -21.940 1.00 0.00 N ATOM 1481 CA LEU A 92 54.501 1.071 -21.920 1.00 0.00 C ATOM 1482 C LEU A 92 54.960 0.751 -23.335 1.00 0.00 C ATOM 1483 O LEU A 92 56.097 1.029 -23.721 1.00 0.00 O ATOM 1484 CB LEU A 92 54.794 -0.113 -20.982 1.00 0.00 C ATOM 1485 CG LEU A 92 54.641 0.164 -19.477 1.00 0.00 C ATOM 1486 CD1 LEU A 92 53.187 0.404 -19.100 1.00 0.00 C ATOM 1487 CD2 LEU A 92 55.213 -0.990 -18.672 1.00 0.00 C ATOM 0 H LEU A 92 52.469 0.604 -21.705 1.00 0.00 H new ATOM 0 HA LEU A 92 55.049 1.934 -21.542 1.00 0.00 H new ATOM 0 HB2 LEU A 92 54.130 -0.935 -21.249 1.00 0.00 H new ATOM 0 HB3 LEU A 92 55.813 -0.453 -21.167 1.00 0.00 H new ATOM 0 HG LEU A 92 55.198 1.072 -19.244 1.00 0.00 H new ATOM 0 HD11 LEU A 92 53.116 0.596 -18.030 1.00 0.00 H new ATOM 0 HD12 LEU A 92 52.806 1.265 -19.650 1.00 0.00 H new ATOM 0 HD13 LEU A 92 52.596 -0.477 -19.350 1.00 0.00 H new ATOM 0 HD21 LEU A 92 55.099 -0.783 -17.608 1.00 0.00 H new ATOM 0 HD22 LEU A 92 54.680 -1.907 -18.922 1.00 0.00 H new ATOM 0 HD23 LEU A 92 56.271 -1.109 -18.907 1.00 0.00 H new ATOM 1499 N ALA A 93 54.054 0.170 -24.104 1.00 0.00 N ATOM 1500 CA ALA A 93 54.310 -0.152 -25.495 1.00 0.00 C ATOM 1501 C ALA A 93 53.013 -0.118 -26.290 1.00 0.00 C ATOM 1502 O ALA A 93 51.926 -0.233 -25.721 1.00 0.00 O ATOM 1503 CB ALA A 93 54.962 -1.521 -25.612 1.00 0.00 C ATOM 0 H ALA A 93 53.122 -0.091 -23.781 1.00 0.00 H new ATOM 0 HA ALA A 93 54.992 0.593 -25.904 1.00 0.00 H new ATOM 0 HB1 ALA A 93 55.147 -1.747 -26.662 1.00 0.00 H new ATOM 0 HB2 ALA A 93 55.907 -1.522 -25.068 1.00 0.00 H new ATOM 0 HB3 ALA A 93 54.300 -2.277 -25.189 1.00 0.00 H new ATOM 1509 N SER A 94 53.129 0.056 -27.595 1.00 0.00 N ATOM 1510 CA SER A 94 51.977 0.003 -28.481 1.00 0.00 C ATOM 1511 C SER A 94 52.100 -1.201 -29.411 1.00 0.00 C ATOM 1512 O SER A 94 51.679 -1.161 -30.565 1.00 0.00 O ATOM 1513 CB SER A 94 51.882 1.299 -29.290 1.00 0.00 C ATOM 1514 OG SER A 94 51.761 2.428 -28.435 1.00 0.00 O ATOM 0 H SER A 94 54.015 0.236 -28.068 1.00 0.00 H new ATOM 0 HA SER A 94 51.068 -0.103 -27.888 1.00 0.00 H new ATOM 0 HB2 SER A 94 52.768 1.406 -29.916 1.00 0.00 H new ATOM 0 HB3 SER A 94 51.023 1.252 -29.959 1.00 0.00 H new ATOM 0 HG SER A 94 51.704 3.243 -28.976 1.00 0.00 H new ATOM 1520 N ALA A 95 52.668 -2.279 -28.883 1.00 0.00 N ATOM 1521 CA ALA A 95 52.910 -3.480 -29.665 1.00 0.00 C ATOM 1522 C ALA A 95 51.658 -4.344 -29.741 1.00 0.00 C ATOM 1523 O ALA A 95 51.164 -4.833 -28.721 1.00 0.00 O ATOM 1524 CB ALA A 95 54.066 -4.271 -29.071 1.00 0.00 C ATOM 0 H ALA A 95 52.970 -2.343 -27.911 1.00 0.00 H new ATOM 0 HA ALA A 95 53.174 -3.179 -30.679 1.00 0.00 H new ATOM 0 HB1 ALA A 95 54.237 -5.168 -29.666 1.00 0.00 H new ATOM 0 HB2 ALA A 95 54.966 -3.657 -29.074 1.00 0.00 H new ATOM 0 HB3 ALA A 95 53.824 -4.556 -28.047 1.00 0.00 H new ATOM 1530 N TYR A 96 51.148 -4.523 -30.950 1.00 0.00 N ATOM 1531 CA TYR A 96 49.973 -5.348 -31.174 1.00 0.00 C ATOM 1532 C TYR A 96 50.390 -6.805 -31.327 1.00 0.00 C ATOM 1533 O TYR A 96 51.058 -7.172 -32.293 1.00 0.00 O ATOM 1534 CB TYR A 96 49.211 -4.869 -32.416 1.00 0.00 C ATOM 1535 CG TYR A 96 48.692 -3.451 -32.300 1.00 0.00 C ATOM 1536 CD1 TYR A 96 49.477 -2.367 -32.676 1.00 0.00 C ATOM 1537 CD2 TYR A 96 47.415 -3.200 -31.817 1.00 0.00 C ATOM 1538 CE1 TYR A 96 49.004 -1.073 -32.571 1.00 0.00 C ATOM 1539 CE2 TYR A 96 46.934 -1.909 -31.709 1.00 0.00 C ATOM 1540 CZ TYR A 96 47.732 -0.849 -32.085 1.00 0.00 C ATOM 1541 OH TYR A 96 47.254 0.439 -31.984 1.00 0.00 O ATOM 0 H TYR A 96 51.534 -4.104 -31.796 1.00 0.00 H new ATOM 0 HA TYR A 96 49.308 -5.261 -30.315 1.00 0.00 H new ATOM 0 HB2 TYR A 96 49.868 -4.937 -33.283 1.00 0.00 H new ATOM 0 HB3 TYR A 96 48.372 -5.540 -32.598 1.00 0.00 H new ATOM 0 HD1 TYR A 96 50.473 -2.539 -33.056 1.00 0.00 H new ATOM 0 HD2 TYR A 96 46.787 -4.027 -31.521 1.00 0.00 H new ATOM 0 HE1 TYR A 96 49.626 -0.242 -32.868 1.00 0.00 H new ATOM 0 HE2 TYR A 96 45.938 -1.731 -31.332 1.00 0.00 H new ATOM 0 HH TYR A 96 46.342 0.422 -31.625 1.00 0.00 H new ATOM 1551 N PHE A 97 50.003 -7.622 -30.357 1.00 0.00 N ATOM 1552 CA PHE A 97 50.424 -9.019 -30.302 1.00 0.00 C ATOM 1553 C PHE A 97 49.902 -9.821 -31.493 1.00 0.00 C ATOM 1554 O PHE A 97 50.692 -10.338 -32.287 1.00 0.00 O ATOM 1555 CB PHE A 97 49.948 -9.660 -28.996 1.00 0.00 C ATOM 1556 CG PHE A 97 50.501 -8.999 -27.764 1.00 0.00 C ATOM 1557 CD1 PHE A 97 51.744 -9.361 -27.269 1.00 0.00 C ATOM 1558 CD2 PHE A 97 49.781 -8.017 -27.103 1.00 0.00 C ATOM 1559 CE1 PHE A 97 52.258 -8.755 -26.139 1.00 0.00 C ATOM 1560 CE2 PHE A 97 50.291 -7.408 -25.972 1.00 0.00 C ATOM 1561 CZ PHE A 97 51.531 -7.778 -25.490 1.00 0.00 C ATOM 0 H PHE A 97 49.393 -7.340 -29.590 1.00 0.00 H new ATOM 0 HA PHE A 97 51.513 -9.034 -30.344 1.00 0.00 H new ATOM 0 HB2 PHE A 97 48.859 -9.624 -28.959 1.00 0.00 H new ATOM 0 HB3 PHE A 97 50.233 -10.712 -28.993 1.00 0.00 H new ATOM 0 HD1 PHE A 97 52.317 -10.125 -27.772 1.00 0.00 H new ATOM 0 HD2 PHE A 97 48.811 -7.724 -27.476 1.00 0.00 H new ATOM 0 HE1 PHE A 97 53.228 -9.046 -25.764 1.00 0.00 H new ATOM 0 HE2 PHE A 97 49.720 -6.644 -25.466 1.00 0.00 H new ATOM 0 HZ PHE A 97 51.931 -7.303 -24.606 1.00 0.00 H new ATOM 1571 N ALA A 98 48.576 -9.913 -31.605 1.00 0.00 N ATOM 1572 CA ALA A 98 47.932 -10.725 -32.634 1.00 0.00 C ATOM 1573 C ALA A 98 48.396 -12.176 -32.533 1.00 0.00 C ATOM 1574 O ALA A 98 49.101 -12.684 -33.407 1.00 0.00 O ATOM 1575 CB ALA A 98 48.196 -10.161 -34.024 1.00 0.00 C ATOM 0 H ALA A 98 47.923 -9.429 -30.988 1.00 0.00 H new ATOM 0 HA ALA A 98 46.855 -10.697 -32.468 1.00 0.00 H new ATOM 0 HB1 ALA A 98 47.704 -10.786 -34.770 1.00 0.00 H new ATOM 0 HB2 ALA A 98 47.803 -9.146 -34.085 1.00 0.00 H new ATOM 0 HB3 ALA A 98 49.269 -10.147 -34.213 1.00 0.00 H new ATOM 1581 N LYS A 99 47.998 -12.828 -31.449 1.00 0.00 N ATOM 1582 CA LYS A 99 48.468 -14.171 -31.132 1.00 0.00 C ATOM 1583 C LYS A 99 47.820 -14.670 -29.841 1.00 0.00 C ATOM 1584 O LYS A 99 47.698 -15.875 -29.615 1.00 0.00 O ATOM 1585 CB LYS A 99 49.997 -14.173 -30.969 1.00 0.00 C ATOM 1586 CG LYS A 99 50.587 -15.548 -30.708 1.00 0.00 C ATOM 1587 CD LYS A 99 52.033 -15.456 -30.256 1.00 0.00 C ATOM 1588 CE LYS A 99 52.593 -16.827 -29.919 1.00 0.00 C ATOM 1589 NZ LYS A 99 51.771 -17.528 -28.897 1.00 0.00 N ATOM 0 H LYS A 99 47.344 -12.444 -30.767 1.00 0.00 H new ATOM 0 HA LYS A 99 48.191 -14.834 -31.951 1.00 0.00 H new ATOM 0 HB2 LYS A 99 50.449 -13.760 -31.871 1.00 0.00 H new ATOM 0 HB3 LYS A 99 50.266 -13.511 -30.146 1.00 0.00 H new ATOM 0 HG2 LYS A 99 49.998 -16.059 -29.946 1.00 0.00 H new ATOM 0 HG3 LYS A 99 50.526 -16.150 -31.615 1.00 0.00 H new ATOM 0 HD2 LYS A 99 52.634 -14.998 -31.042 1.00 0.00 H new ATOM 0 HD3 LYS A 99 52.103 -14.807 -29.383 1.00 0.00 H new ATOM 0 HE2 LYS A 99 52.640 -17.432 -30.824 1.00 0.00 H new ATOM 0 HE3 LYS A 99 53.614 -16.722 -29.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 52.332 -18.288 -28.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 51.477 -16.851 -28.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 50.928 -17.935 -29.349 1.00 0.00 H new ATOM 1603 N ALA A 100 47.386 -13.733 -29.009 1.00 0.00 N ATOM 1604 CA ALA A 100 46.925 -14.054 -27.673 1.00 0.00 C ATOM 1605 C ALA A 100 45.404 -14.021 -27.579 1.00 0.00 C ATOM 1606 O ALA A 100 44.706 -13.900 -28.586 1.00 0.00 O ATOM 1607 CB ALA A 100 47.542 -13.083 -26.676 1.00 0.00 C ATOM 0 H ALA A 100 47.345 -12.741 -29.241 1.00 0.00 H new ATOM 0 HA ALA A 100 47.242 -15.070 -27.436 1.00 0.00 H new ATOM 0 HB1 ALA A 100 47.195 -13.324 -25.671 1.00 0.00 H new ATOM 0 HB2 ALA A 100 48.628 -13.164 -26.714 1.00 0.00 H new ATOM 0 HB3 ALA A 100 47.245 -12.065 -26.928 1.00 0.00 H new ATOM 1613 N GLU A 101 44.904 -14.129 -26.358 1.00 0.00 N ATOM 1614 CA GLU A 101 43.470 -14.153 -26.103 1.00 0.00 C ATOM 1615 C GLU A 101 42.866 -12.761 -26.240 1.00 0.00 C ATOM 1616 O GLU A 101 41.685 -12.610 -26.545 1.00 0.00 O ATOM 1617 CB GLU A 101 43.214 -14.670 -24.688 1.00 0.00 C ATOM 1618 CG GLU A 101 43.911 -15.980 -24.375 1.00 0.00 C ATOM 1619 CD GLU A 101 43.949 -16.270 -22.890 1.00 0.00 C ATOM 1620 OE1 GLU A 101 44.895 -15.807 -22.214 1.00 0.00 O ATOM 1621 OE2 GLU A 101 43.036 -16.953 -22.386 1.00 0.00 O ATOM 0 H GLU A 101 45.478 -14.202 -25.518 1.00 0.00 H new ATOM 0 HA GLU A 101 43.003 -14.810 -26.837 1.00 0.00 H new ATOM 0 HB2 GLU A 101 43.541 -13.916 -23.972 1.00 0.00 H new ATOM 0 HB3 GLU A 101 42.141 -14.799 -24.548 1.00 0.00 H new ATOM 0 HG2 GLU A 101 43.399 -16.793 -24.889 1.00 0.00 H new ATOM 0 HG3 GLU A 101 44.929 -15.949 -24.763 1.00 0.00 H new ATOM 1628 N PHE A 102 43.689 -11.747 -26.018 1.00 0.00 N ATOM 1629 CA PHE A 102 43.203 -10.376 -25.916 1.00 0.00 C ATOM 1630 C PHE A 102 42.983 -9.726 -27.275 1.00 0.00 C ATOM 1631 O PHE A 102 42.142 -8.837 -27.406 1.00 0.00 O ATOM 1632 CB PHE A 102 44.170 -9.537 -25.084 1.00 0.00 C ATOM 1633 CG PHE A 102 44.289 -10.009 -23.665 1.00 0.00 C ATOM 1634 CD1 PHE A 102 43.328 -9.668 -22.728 1.00 0.00 C ATOM 1635 CD2 PHE A 102 45.353 -10.800 -23.270 1.00 0.00 C ATOM 1636 CE1 PHE A 102 43.428 -10.105 -21.423 1.00 0.00 C ATOM 1637 CE2 PHE A 102 45.457 -11.242 -21.965 1.00 0.00 C ATOM 1638 CZ PHE A 102 44.495 -10.893 -21.041 1.00 0.00 C ATOM 0 H PHE A 102 44.698 -11.846 -25.905 1.00 0.00 H new ATOM 0 HA PHE A 102 42.232 -10.419 -25.423 1.00 0.00 H new ATOM 0 HB2 PHE A 102 45.155 -9.558 -25.551 1.00 0.00 H new ATOM 0 HB3 PHE A 102 43.837 -8.499 -25.089 1.00 0.00 H new ATOM 0 HD1 PHE A 102 42.490 -9.053 -23.022 1.00 0.00 H new ATOM 0 HD2 PHE A 102 46.110 -11.075 -23.989 1.00 0.00 H new ATOM 0 HE1 PHE A 102 42.673 -9.831 -20.702 1.00 0.00 H new ATOM 0 HE2 PHE A 102 46.291 -11.861 -21.669 1.00 0.00 H new ATOM 0 HZ PHE A 102 44.576 -11.236 -20.020 1.00 0.00 H new ATOM 1648 N ASP A 103 43.728 -10.155 -28.287 1.00 0.00 N ATOM 1649 CA ASP A 103 43.559 -9.588 -29.618 1.00 0.00 C ATOM 1650 C ASP A 103 42.324 -10.172 -30.302 1.00 0.00 C ATOM 1651 O ASP A 103 41.292 -9.502 -30.375 1.00 0.00 O ATOM 1652 CB ASP A 103 44.819 -9.757 -30.486 1.00 0.00 C ATOM 1653 CG ASP A 103 45.431 -11.139 -30.419 1.00 0.00 C ATOM 1654 OD1 ASP A 103 44.928 -12.054 -31.099 1.00 0.00 O ATOM 1655 OD2 ASP A 103 46.434 -11.310 -29.696 1.00 0.00 O ATOM 0 H ASP A 103 44.442 -10.880 -28.214 1.00 0.00 H new ATOM 0 HA ASP A 103 43.405 -8.515 -29.499 1.00 0.00 H new ATOM 0 HB2 ASP A 103 44.567 -9.532 -31.522 1.00 0.00 H new ATOM 0 HB3 ASP A 103 45.564 -9.025 -30.173 1.00 0.00 H new ATOM 1660 N ARG A 104 42.426 -11.408 -30.789 1.00 0.00 N ATOM 1661 CA ARG A 104 41.298 -12.090 -31.430 1.00 0.00 C ATOM 1662 C ARG A 104 41.710 -13.452 -31.980 1.00 0.00 C ATOM 1663 O ARG A 104 40.858 -14.292 -32.264 1.00 0.00 O ATOM 1664 CB ARG A 104 40.728 -11.242 -32.575 1.00 0.00 C ATOM 1665 CG ARG A 104 41.709 -10.999 -33.712 1.00 0.00 C ATOM 1666 CD ARG A 104 41.197 -9.934 -34.664 1.00 0.00 C ATOM 1667 NE ARG A 104 41.006 -8.654 -33.986 1.00 0.00 N ATOM 1668 CZ ARG A 104 40.467 -7.579 -34.556 1.00 0.00 C ATOM 1669 NH1 ARG A 104 40.031 -7.625 -35.812 1.00 0.00 N ATOM 1670 NH2 ARG A 104 40.356 -6.458 -33.861 1.00 0.00 N ATOM 0 H ARG A 104 43.282 -11.961 -30.752 1.00 0.00 H new ATOM 0 HA ARG A 104 40.535 -12.233 -30.665 1.00 0.00 H new ATOM 0 HB2 ARG A 104 39.842 -11.736 -32.973 1.00 0.00 H new ATOM 0 HB3 ARG A 104 40.405 -10.281 -32.176 1.00 0.00 H new ATOM 0 HG2 ARG A 104 42.673 -10.693 -33.305 1.00 0.00 H new ATOM 0 HG3 ARG A 104 41.874 -11.928 -34.257 1.00 0.00 H new ATOM 0 HD2 ARG A 104 41.903 -9.810 -35.485 1.00 0.00 H new ATOM 0 HD3 ARG A 104 40.253 -10.259 -35.101 1.00 0.00 H new ATOM 0 HE ARG A 104 41.305 -8.580 -33.014 1.00 0.00 H new ATOM 0 HH11 ARG A 104 40.108 -8.490 -36.347 1.00 0.00 H new ATOM 0 HH12 ARG A 104 39.619 -6.795 -36.240 1.00 0.00 H new ATOM 0 HH21 ARG A 104 40.683 -6.422 -32.895 1.00 0.00 H new ATOM 0 HH22 ARG A 104 39.944 -5.630 -34.291 1.00 0.00 H new ATOM 1684 N LEU A 105 43.013 -13.680 -32.114 1.00 0.00 N ATOM 1685 CA LEU A 105 43.504 -14.869 -32.801 1.00 0.00 C ATOM 1686 C LEU A 105 43.487 -16.109 -31.912 1.00 0.00 C ATOM 1687 O LEU A 105 43.849 -17.198 -32.358 1.00 0.00 O ATOM 1688 CB LEU A 105 44.911 -14.635 -33.350 1.00 0.00 C ATOM 1689 CG LEU A 105 45.008 -13.565 -34.439 1.00 0.00 C ATOM 1690 CD1 LEU A 105 46.404 -13.532 -35.036 1.00 0.00 C ATOM 1691 CD2 LEU A 105 43.971 -13.809 -35.525 1.00 0.00 C ATOM 0 H LEU A 105 43.743 -13.062 -31.759 1.00 0.00 H new ATOM 0 HA LEU A 105 42.821 -15.055 -33.630 1.00 0.00 H new ATOM 0 HB2 LEU A 105 45.565 -14.353 -32.525 1.00 0.00 H new ATOM 0 HB3 LEU A 105 45.290 -15.575 -33.750 1.00 0.00 H new ATOM 0 HG LEU A 105 44.807 -12.596 -33.982 1.00 0.00 H new ATOM 0 HD11 LEU A 105 46.451 -12.764 -35.808 1.00 0.00 H new ATOM 0 HD12 LEU A 105 47.129 -13.305 -34.254 1.00 0.00 H new ATOM 0 HD13 LEU A 105 46.635 -14.503 -35.475 1.00 0.00 H new ATOM 0 HD21 LEU A 105 44.057 -13.037 -36.290 1.00 0.00 H new ATOM 0 HD22 LEU A 105 44.140 -14.787 -35.976 1.00 0.00 H new ATOM 0 HD23 LEU A 105 42.973 -13.778 -35.088 1.00 0.00 H new ATOM 1703 N TRP A 106 43.080 -15.958 -30.659 1.00 0.00 N ATOM 1704 CA TRP A 106 42.887 -17.118 -29.804 1.00 0.00 C ATOM 1705 C TRP A 106 41.498 -17.685 -30.049 1.00 0.00 C ATOM 1706 O TRP A 106 40.522 -17.271 -29.425 1.00 0.00 O ATOM 1707 CB TRP A 106 43.067 -16.774 -28.325 1.00 0.00 C ATOM 1708 CG TRP A 106 43.254 -17.986 -27.464 1.00 0.00 C ATOM 1709 CD1 TRP A 106 42.283 -18.836 -27.022 1.00 0.00 C ATOM 1710 CD2 TRP A 106 44.492 -18.485 -26.945 1.00 0.00 C ATOM 1711 NE1 TRP A 106 42.842 -19.839 -26.269 1.00 0.00 N ATOM 1712 CE2 TRP A 106 44.196 -19.643 -26.202 1.00 0.00 C ATOM 1713 CE3 TRP A 106 45.821 -18.065 -27.039 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 45.184 -20.385 -25.557 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 46.799 -18.801 -26.399 1.00 0.00 C ATOM 1716 CH2 TRP A 106 46.477 -19.951 -25.665 1.00 0.00 C ATOM 0 H TRP A 106 42.880 -15.060 -30.219 1.00 0.00 H new ATOM 0 HA TRP A 106 43.645 -17.861 -30.053 1.00 0.00 H new ATOM 0 HB2 TRP A 106 43.930 -16.117 -28.212 1.00 0.00 H new ATOM 0 HB3 TRP A 106 42.196 -16.218 -27.978 1.00 0.00 H new ATOM 0 HD1 TRP A 106 41.229 -18.735 -27.233 1.00 0.00 H new ATOM 0 HE1 TRP A 106 42.332 -20.606 -25.831 1.00 0.00 H new ATOM 0 HE3 TRP A 106 46.079 -17.180 -27.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 44.937 -21.272 -24.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 47.830 -18.485 -26.465 1.00 0.00 H new ATOM 0 HH2 TRP A 106 47.264 -20.505 -25.176 1.00 0.00 H new ATOM 1727 N LYS A 107 41.418 -18.611 -30.986 1.00 0.00 N ATOM 1728 CA LYS A 107 40.150 -19.169 -31.416 1.00 0.00 C ATOM 1729 C LYS A 107 40.029 -20.623 -30.976 1.00 0.00 C ATOM 1730 O LYS A 107 38.933 -21.112 -30.693 1.00 0.00 O ATOM 1731 CB LYS A 107 40.048 -19.071 -32.942 1.00 0.00 C ATOM 1732 CG LYS A 107 38.772 -19.652 -33.523 1.00 0.00 C ATOM 1733 CD LYS A 107 38.842 -19.699 -35.039 1.00 0.00 C ATOM 1734 CE LYS A 107 37.595 -20.317 -35.645 1.00 0.00 C ATOM 1735 NZ LYS A 107 37.750 -20.545 -37.106 1.00 0.00 N ATOM 0 H LYS A 107 42.229 -18.997 -31.470 1.00 0.00 H new ATOM 0 HA LYS A 107 39.338 -18.605 -30.958 1.00 0.00 H new ATOM 0 HB2 LYS A 107 40.121 -18.023 -33.232 1.00 0.00 H new ATOM 0 HB3 LYS A 107 40.901 -19.585 -33.385 1.00 0.00 H new ATOM 0 HG2 LYS A 107 38.613 -20.656 -33.131 1.00 0.00 H new ATOM 0 HG3 LYS A 107 37.918 -19.049 -33.212 1.00 0.00 H new ATOM 0 HD2 LYS A 107 38.972 -18.689 -35.428 1.00 0.00 H new ATOM 0 HD3 LYS A 107 39.717 -20.273 -35.344 1.00 0.00 H new ATOM 0 HE2 LYS A 107 37.380 -21.264 -35.149 1.00 0.00 H new ATOM 0 HE3 LYS A 107 36.741 -19.663 -35.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 36.879 -20.968 -37.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 37.930 -19.638 -37.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 38.549 -21.189 -37.274 1.00 0.00 H new ATOM 1749 N LYS A 108 41.165 -21.299 -30.911 1.00 0.00 N ATOM 1750 CA LYS A 108 41.198 -22.722 -30.625 1.00 0.00 C ATOM 1751 C LYS A 108 41.017 -22.972 -29.131 1.00 0.00 C ATOM 1752 O LYS A 108 39.864 -23.179 -28.698 1.00 0.00 O ATOM 1753 CB LYS A 108 42.522 -23.318 -31.112 1.00 0.00 C ATOM 1754 CG LYS A 108 42.479 -24.820 -31.324 1.00 0.00 C ATOM 1755 CD LYS A 108 43.811 -25.342 -31.829 1.00 0.00 C ATOM 1756 CE LYS A 108 43.730 -26.812 -32.196 1.00 0.00 C ATOM 1757 NZ LYS A 108 43.260 -27.641 -31.057 1.00 0.00 N ATOM 1758 OXT LYS A 108 42.023 -22.966 -28.393 1.00 0.00 O ATOM 0 H LYS A 108 42.084 -20.879 -31.054 1.00 0.00 H new ATOM 0 HA LYS A 108 40.377 -23.207 -31.152 1.00 0.00 H new ATOM 0 HB2 LYS A 108 42.803 -22.837 -32.049 1.00 0.00 H new ATOM 0 HB3 LYS A 108 43.302 -23.085 -30.387 1.00 0.00 H new ATOM 0 HG2 LYS A 108 42.223 -25.315 -30.387 1.00 0.00 H new ATOM 0 HG3 LYS A 108 41.694 -25.067 -32.039 1.00 0.00 H new ATOM 0 HD2 LYS A 108 44.122 -24.765 -32.700 1.00 0.00 H new ATOM 0 HD3 LYS A 108 44.573 -25.199 -31.063 1.00 0.00 H new ATOM 0 HE2 LYS A 108 43.053 -26.939 -33.041 1.00 0.00 H new ATOM 0 HE3 LYS A 108 44.711 -27.161 -32.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 43.378 -28.648 -31.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 43.817 -27.413 -30.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 42.255 -27.443 -30.875 1.00 0.00 H new TER 1772 LYS A 108