USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 962 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 47 GLN : amide:sc= -1.12 K(o=-1.6,f=-2.7) USER MOD Set 2.2: A 49 CYS SG : rot 180:sc= -0.488 USER MOD Set 3.1: A 45 LYS NZ :NH3+ 146:sc= 0.971 (180deg=-0.152) USER MOD Set 3.2: A 84 TYR OH : rot 50:sc= -1.26 USER MOD Set 4.1: A 33 SER OG : rot 109:sc= 1.22 USER MOD Set 4.2: A 73 HIS : no HE2:sc= -2.06 K(o=-0.85,f=-12!) USER MOD Set 5.1: A 20 THR OG1 : rot 180:sc= -0.395 USER MOD Set 5.2: A 29 HIS : no HD1:sc= -0.509 K(o=-0.9,f=-2.8!) USER MOD Set 6.1: A 12 ASN : amide:sc= -1.68 K(o=-1.6,f=-4.8!) USER MOD Set 6.2: A 23 THR OG1 : rot -53:sc= 0.0417 USER MOD Single : A 1 HIS : no HD1:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 1 HIS N :NH3+ -177:sc= 0 (180deg=-0.0152) USER MOD Single : A 6 SER OG : rot -130:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 31:sc= 0.0887 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -125:sc= -5.5! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -3.54 K(o=-3.5,f=-5.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.001 X(o=-0.001,f=-0.085) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0569 X(o=-0.057,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.546) USER MOD Single : A 69 ASN : amide:sc= -2.08 K(o=-2.1,f=-12!) USER MOD Single : A 76 SER OG : rot 77:sc= 0.561 USER MOD Single : A 79 LYS NZ :NH3+ -147:sc= -0.138 (180deg=-0.982) USER MOD Single : A 80 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0247) USER MOD Single : A 86 SER OG : rot 180:sc= -0.409 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.0184 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= -0.336 (180deg=-0.336) USER MOD Single : A 105 LYS NZ :NH3+ -146:sc= 0 (180deg=-1.11) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.0272 K(o=-0.027,f=-0.57) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.00265 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -84:sc= 0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 11.384 -15.541 -0.369 1.00 0.00 N ATOM 2 CA HIS A 1 10.671 -16.331 -1.406 1.00 0.00 C ATOM 3 C HIS A 1 9.168 -16.075 -1.358 1.00 0.00 C ATOM 4 O HIS A 1 8.555 -16.119 -0.292 1.00 0.00 O ATOM 5 CB HIS A 1 10.963 -17.814 -1.174 1.00 0.00 C ATOM 6 CG HIS A 1 12.369 -18.206 -1.504 1.00 0.00 C ATOM 7 ND1 HIS A 1 12.736 -18.745 -2.719 1.00 0.00 N ATOM 8 CD2 HIS A 1 13.505 -18.133 -0.769 1.00 0.00 C ATOM 9 CE1 HIS A 1 14.035 -18.989 -2.717 1.00 0.00 C ATOM 10 NE2 HIS A 1 14.524 -18.625 -1.546 1.00 0.00 N ATOM 0 H1 HIS A 1 12.409 -15.696 -0.458 1.00 0.00 H new ATOM 0 H2 HIS A 1 11.174 -14.530 -0.497 1.00 0.00 H new ATOM 0 H3 HIS A 1 11.069 -15.843 0.575 1.00 0.00 H new ATOM 0 HA HIS A 1 11.023 -16.028 -2.392 1.00 0.00 H new ATOM 0 HB2 HIS A 1 10.762 -18.056 -0.130 1.00 0.00 H new ATOM 0 HB3 HIS A 1 10.277 -18.409 -1.777 1.00 0.00 H new ATOM 0 HD2 HIS A 1 13.592 -17.758 0.240 1.00 0.00 H new ATOM 0 HE1 HIS A 1 14.600 -19.414 -3.534 1.00 0.00 H new ATOM 0 HE2 HIS A 1 15.502 -18.698 -1.264 1.00 0.00 H new ATOM 21 N SER A 2 8.581 -15.809 -2.520 1.00 0.00 N ATOM 22 CA SER A 2 7.149 -15.546 -2.610 1.00 0.00 C ATOM 23 C SER A 2 6.763 -14.336 -1.766 1.00 0.00 C ATOM 24 O SER A 2 6.671 -14.424 -0.542 1.00 0.00 O ATOM 25 CB SER A 2 6.355 -16.773 -2.157 1.00 0.00 C ATOM 26 OG SER A 2 6.990 -17.972 -2.566 1.00 0.00 O ATOM 0 H SER A 2 9.074 -15.770 -3.412 1.00 0.00 H new ATOM 0 HA SER A 2 6.909 -15.330 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.253 -16.764 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.348 -16.732 -2.572 1.00 0.00 H new ATOM 0 HG SER A 2 6.463 -18.741 -2.263 1.00 0.00 H new ATOM 32 N VAL A 3 6.539 -13.205 -2.428 1.00 0.00 N ATOM 33 CA VAL A 3 6.164 -11.977 -1.737 1.00 0.00 C ATOM 34 C VAL A 3 5.012 -11.272 -2.450 1.00 0.00 C ATOM 35 O VAL A 3 4.889 -11.346 -3.673 1.00 0.00 O ATOM 36 CB VAL A 3 7.355 -11.006 -1.630 1.00 0.00 C ATOM 37 CG1 VAL A 3 8.403 -11.549 -0.672 1.00 0.00 C ATOM 38 CG2 VAL A 3 7.958 -10.748 -3.002 1.00 0.00 C ATOM 0 H VAL A 3 6.611 -13.114 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 3 5.846 -12.264 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 3 6.992 -10.057 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.236 -10.849 -0.610 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.961 -11.676 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.764 -12.511 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.798 -10.060 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.306 -11.688 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.203 -10.310 -3.655 1.00 0.00 H new ATOM 48 N PRO A 4 4.149 -10.576 -1.690 1.00 0.00 N ATOM 49 CA PRO A 4 3.002 -9.855 -2.254 1.00 0.00 C ATOM 50 C PRO A 4 3.426 -8.623 -3.047 1.00 0.00 C ATOM 51 O PRO A 4 4.392 -7.948 -2.694 1.00 0.00 O ATOM 52 CB PRO A 4 2.200 -9.444 -1.018 1.00 0.00 C ATOM 53 CG PRO A 4 3.207 -9.369 0.076 1.00 0.00 C ATOM 54 CD PRO A 4 4.222 -10.436 -0.223 1.00 0.00 C ATOM 0 HA PRO A 4 2.441 -10.468 -2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.705 -8.484 -1.168 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.421 -10.172 -0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 4 3.674 -8.385 0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 4 2.741 -9.535 1.047 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.220 -10.144 0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 4 3.982 -11.372 0.282 1.00 0.00 H new ATOM 62 N GLU A 5 2.698 -8.338 -4.122 1.00 0.00 N ATOM 63 CA GLU A 5 3.002 -7.190 -4.965 1.00 0.00 C ATOM 64 C GLU A 5 1.735 -6.625 -5.599 1.00 0.00 C ATOM 65 O GLU A 5 1.725 -6.242 -6.769 1.00 0.00 O ATOM 66 CB GLU A 5 4.008 -7.581 -6.044 1.00 0.00 C ATOM 67 CG GLU A 5 5.273 -6.747 -6.003 1.00 0.00 C ATOM 68 CD GLU A 5 6.337 -7.248 -6.960 1.00 0.00 C ATOM 69 OE1 GLU A 5 6.380 -8.470 -7.212 1.00 0.00 O ATOM 70 OE2 GLU A 5 7.128 -6.418 -7.456 1.00 0.00 O ATOM 0 H GLU A 5 1.894 -8.886 -4.429 1.00 0.00 H new ATOM 0 HA GLU A 5 3.440 -6.413 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.269 -8.633 -5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.541 -7.476 -7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.029 -5.713 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.672 -6.750 -4.989 1.00 0.00 H new ATOM 77 N SER A 6 0.670 -6.581 -4.812 1.00 0.00 N ATOM 78 CA SER A 6 -0.613 -6.067 -5.277 1.00 0.00 C ATOM 79 C SER A 6 -1.583 -5.904 -4.111 1.00 0.00 C ATOM 80 O SER A 6 -1.622 -6.735 -3.204 1.00 0.00 O ATOM 81 CB SER A 6 -1.212 -7.005 -6.327 1.00 0.00 C ATOM 82 OG SER A 6 -1.763 -8.163 -5.723 1.00 0.00 O ATOM 0 H SER A 6 0.668 -6.897 -3.842 1.00 0.00 H new ATOM 0 HA SER A 6 -0.445 -5.089 -5.729 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.986 -6.481 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.442 -7.295 -7.041 1.00 0.00 H new ATOM 0 HG SER A 6 -1.428 -8.962 -6.181 1.00 0.00 H new ATOM 88 N ILE A 7 -2.365 -4.829 -4.141 1.00 0.00 N ATOM 89 CA ILE A 7 -3.334 -4.562 -3.084 1.00 0.00 C ATOM 90 C ILE A 7 -4.714 -5.091 -3.466 1.00 0.00 C ATOM 91 O ILE A 7 -5.590 -4.330 -3.877 1.00 0.00 O ATOM 92 CB ILE A 7 -3.441 -3.050 -2.773 1.00 0.00 C ATOM 93 CG1 ILE A 7 -2.070 -2.462 -2.430 1.00 0.00 C ATOM 94 CG2 ILE A 7 -4.411 -2.809 -1.624 1.00 0.00 C ATOM 95 CD1 ILE A 7 -1.092 -2.456 -3.586 1.00 0.00 C ATOM 0 H ILE A 7 -2.347 -4.130 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.978 -5.078 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.817 -2.551 -3.666 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.204 -1.440 -2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.639 -3.031 -1.606 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.474 -1.740 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.397 -3.185 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.057 -3.329 -0.734 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.146 -2.024 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.926 -3.478 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.499 -1.862 -4.404 1.00 0.00 H new ATOM 107 N ARG A 8 -4.900 -6.400 -3.327 1.00 0.00 N ATOM 108 CA ARG A 8 -6.174 -7.030 -3.655 1.00 0.00 C ATOM 109 C ARG A 8 -7.068 -7.122 -2.421 1.00 0.00 C ATOM 110 O ARG A 8 -6.745 -7.819 -1.459 1.00 0.00 O ATOM 111 CB ARG A 8 -5.943 -8.425 -4.241 1.00 0.00 C ATOM 112 CG ARG A 8 -6.806 -8.726 -5.456 1.00 0.00 C ATOM 113 CD ARG A 8 -8.286 -8.595 -5.136 1.00 0.00 C ATOM 114 NE ARG A 8 -8.845 -9.837 -4.607 1.00 0.00 N ATOM 115 CZ ARG A 8 -9.208 -10.870 -5.364 1.00 0.00 C ATOM 116 NH1 ARG A 8 -9.066 -10.816 -6.683 1.00 0.00 N ATOM 117 NH2 ARG A 8 -9.713 -11.959 -4.802 1.00 0.00 N ATOM 0 H ARG A 8 -4.185 -7.045 -2.990 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.676 -6.412 -4.399 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.893 -8.524 -4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -6.142 -9.171 -3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.546 -8.044 -6.266 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.598 -9.736 -5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.430 -7.795 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.828 -8.309 -6.038 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.964 -9.917 -3.597 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.677 -9.980 -7.120 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.346 -11.610 -7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.824 -12.006 -3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.991 -12.750 -5.382 1.00 0.00 H new ATOM 131 N PHE A 9 -8.189 -6.410 -2.457 1.00 0.00 N ATOM 132 CA PHE A 9 -9.131 -6.406 -1.343 1.00 0.00 C ATOM 133 C PHE A 9 -10.559 -6.213 -1.844 1.00 0.00 C ATOM 134 O PHE A 9 -11.028 -5.085 -1.991 1.00 0.00 O ATOM 135 CB PHE A 9 -8.773 -5.296 -0.352 1.00 0.00 C ATOM 136 CG PHE A 9 -8.583 -3.957 -1.003 1.00 0.00 C ATOM 137 CD1 PHE A 9 -7.504 -3.730 -1.840 1.00 0.00 C ATOM 138 CD2 PHE A 9 -9.482 -2.927 -0.780 1.00 0.00 C ATOM 139 CE1 PHE A 9 -7.323 -2.501 -2.443 1.00 0.00 C ATOM 140 CE2 PHE A 9 -9.308 -1.694 -1.381 1.00 0.00 C ATOM 141 CZ PHE A 9 -8.226 -1.481 -2.213 1.00 0.00 C ATOM 0 H PHE A 9 -8.468 -5.827 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.067 -7.370 -0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.561 -5.219 0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.858 -5.569 0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -6.795 -4.524 -2.024 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.329 -3.089 -0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.477 -2.337 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.016 -0.899 -1.200 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.086 -0.519 -2.683 1.00 0.00 H new ATOM 151 N GLY A 10 -11.245 -7.321 -2.108 1.00 0.00 N ATOM 152 CA GLY A 10 -12.610 -7.248 -2.594 1.00 0.00 C ATOM 153 C GLY A 10 -12.676 -6.974 -4.085 1.00 0.00 C ATOM 154 O GLY A 10 -11.854 -7.485 -4.846 1.00 0.00 O ATOM 0 H GLY A 10 -10.880 -8.267 -1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.122 -8.185 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.143 -6.462 -2.058 1.00 0.00 H new ATOM 158 N PRO A 11 -13.650 -6.166 -4.540 1.00 0.00 N ATOM 159 CA PRO A 11 -13.804 -5.837 -5.958 1.00 0.00 C ATOM 160 C PRO A 11 -12.863 -4.721 -6.406 1.00 0.00 C ATOM 161 O PRO A 11 -13.287 -3.757 -7.042 1.00 0.00 O ATOM 162 CB PRO A 11 -15.256 -5.376 -6.039 1.00 0.00 C ATOM 163 CG PRO A 11 -15.525 -4.759 -4.709 1.00 0.00 C ATOM 164 CD PRO A 11 -14.681 -5.512 -3.710 1.00 0.00 C ATOM 0 HA PRO A 11 -13.564 -6.680 -6.607 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.400 -4.658 -6.846 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.928 -6.212 -6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.268 -3.700 -4.714 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.583 -4.830 -4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.236 -4.840 -2.976 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.272 -6.242 -3.157 1.00 0.00 H new ATOM 172 N ASN A 12 -11.584 -4.859 -6.069 1.00 0.00 N ATOM 173 CA ASN A 12 -10.584 -3.863 -6.437 1.00 0.00 C ATOM 174 C ASN A 12 -9.177 -4.373 -6.145 1.00 0.00 C ATOM 175 O ASN A 12 -8.949 -5.058 -5.148 1.00 0.00 O ATOM 176 CB ASN A 12 -10.833 -2.557 -5.680 1.00 0.00 C ATOM 177 CG ASN A 12 -11.703 -1.592 -6.461 1.00 0.00 C ATOM 178 OD1 ASN A 12 -11.397 -1.246 -7.602 1.00 0.00 O ATOM 179 ND2 ASN A 12 -12.794 -1.149 -5.847 1.00 0.00 N ATOM 0 H ASN A 12 -11.216 -5.651 -5.542 1.00 0.00 H new ATOM 0 HA ASN A 12 -10.669 -3.676 -7.508 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.309 -2.779 -4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.878 -2.082 -5.457 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.417 -0.496 -6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.009 -1.462 -4.900 1.00 0.00 H new ATOM 186 N VAL A 13 -8.234 -4.033 -7.018 1.00 0.00 N ATOM 187 CA VAL A 13 -6.850 -4.455 -6.849 1.00 0.00 C ATOM 188 C VAL A 13 -5.883 -3.353 -7.276 1.00 0.00 C ATOM 189 O VAL A 13 -5.745 -3.057 -8.463 1.00 0.00 O ATOM 190 CB VAL A 13 -6.549 -5.737 -7.651 1.00 0.00 C ATOM 191 CG1 VAL A 13 -6.750 -5.502 -9.140 1.00 0.00 C ATOM 192 CG2 VAL A 13 -5.137 -6.229 -7.366 1.00 0.00 C ATOM 0 H VAL A 13 -8.404 -3.467 -7.849 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.709 -4.663 -5.788 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.249 -6.510 -7.334 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.532 -6.420 -9.686 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.783 -5.206 -9.326 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.080 -4.711 -9.477 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.944 -7.134 -7.941 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.419 -5.459 -7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.035 -6.446 -6.303 1.00 0.00 H new ATOM 202 N PHE A 14 -5.218 -2.748 -6.296 1.00 0.00 N ATOM 203 CA PHE A 14 -4.264 -1.677 -6.562 1.00 0.00 C ATOM 204 C PHE A 14 -2.920 -2.245 -7.010 1.00 0.00 C ATOM 205 O PHE A 14 -2.381 -3.156 -6.382 1.00 0.00 O ATOM 206 CB PHE A 14 -4.072 -0.819 -5.309 1.00 0.00 C ATOM 207 CG PHE A 14 -4.018 0.657 -5.581 1.00 0.00 C ATOM 208 CD1 PHE A 14 -3.282 1.156 -6.644 1.00 0.00 C ATOM 209 CD2 PHE A 14 -4.703 1.546 -4.770 1.00 0.00 C ATOM 210 CE1 PHE A 14 -3.233 2.514 -6.893 1.00 0.00 C ATOM 211 CE2 PHE A 14 -4.656 2.904 -5.014 1.00 0.00 C ATOM 212 CZ PHE A 14 -3.921 3.389 -6.076 1.00 0.00 C ATOM 0 H PHE A 14 -5.323 -2.982 -5.309 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.664 -1.057 -7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.888 -1.020 -4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.150 -1.120 -4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.741 0.476 -7.285 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.281 1.173 -3.937 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.657 2.891 -7.726 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.195 3.587 -4.374 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.884 4.451 -6.268 1.00 0.00 H new ATOM 222 N TYR A 15 -2.381 -1.698 -8.094 1.00 0.00 N ATOM 223 CA TYR A 15 -1.096 -2.147 -8.615 1.00 0.00 C ATOM 224 C TYR A 15 0.036 -1.304 -8.039 1.00 0.00 C ATOM 225 O TYR A 15 0.157 -0.118 -8.342 1.00 0.00 O ATOM 226 CB TYR A 15 -1.083 -2.070 -10.143 1.00 0.00 C ATOM 227 CG TYR A 15 -2.010 -3.062 -10.809 1.00 0.00 C ATOM 228 CD1 TYR A 15 -2.000 -4.403 -10.445 1.00 0.00 C ATOM 229 CD2 TYR A 15 -2.893 -2.658 -11.802 1.00 0.00 C ATOM 230 CE1 TYR A 15 -2.845 -5.312 -11.051 1.00 0.00 C ATOM 231 CE2 TYR A 15 -3.741 -3.562 -12.413 1.00 0.00 C ATOM 232 CZ TYR A 15 -3.713 -4.887 -12.034 1.00 0.00 C ATOM 233 OH TYR A 15 -4.556 -5.790 -12.640 1.00 0.00 O ATOM 0 H TYR A 15 -2.813 -0.944 -8.628 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.947 -3.184 -8.315 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.363 -1.062 -10.450 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.067 -2.241 -10.498 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.321 -4.740 -9.676 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.917 -1.621 -12.101 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.826 -6.351 -10.756 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.422 -3.232 -13.183 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.103 -5.328 -13.309 1.00 0.00 H new ATOM 243 N VAL A 16 0.857 -1.925 -7.201 1.00 0.00 N ATOM 244 CA VAL A 16 1.977 -1.234 -6.571 1.00 0.00 C ATOM 245 C VAL A 16 2.961 -0.682 -7.602 1.00 0.00 C ATOM 246 O VAL A 16 3.783 0.176 -7.283 1.00 0.00 O ATOM 247 CB VAL A 16 2.736 -2.162 -5.603 1.00 0.00 C ATOM 248 CG1 VAL A 16 1.981 -2.299 -4.290 1.00 0.00 C ATOM 249 CG2 VAL A 16 2.971 -3.525 -6.236 1.00 0.00 C ATOM 0 H VAL A 16 0.769 -2.907 -6.941 1.00 0.00 H new ATOM 0 HA VAL A 16 1.547 -0.401 -6.014 1.00 0.00 H new ATOM 0 HB VAL A 16 3.708 -1.715 -5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.533 -2.958 -3.620 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.875 -1.318 -3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.994 -2.719 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.508 -4.164 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.013 -3.982 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.561 -3.407 -7.145 1.00 0.00 H new ATOM 259 N LEU A 17 2.883 -1.180 -8.834 1.00 0.00 N ATOM 260 CA LEU A 17 3.782 -0.728 -9.892 1.00 0.00 C ATOM 261 C LEU A 17 3.032 0.043 -10.978 1.00 0.00 C ATOM 262 O LEU A 17 3.625 0.845 -11.699 1.00 0.00 O ATOM 263 CB LEU A 17 4.507 -1.923 -10.515 1.00 0.00 C ATOM 264 CG LEU A 17 5.106 -2.911 -9.511 1.00 0.00 C ATOM 265 CD1 LEU A 17 4.930 -4.341 -9.999 1.00 0.00 C ATOM 266 CD2 LEU A 17 6.577 -2.604 -9.275 1.00 0.00 C ATOM 0 H LEU A 17 2.212 -1.891 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 17 4.510 -0.054 -9.440 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.808 -2.459 -11.156 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.306 -1.550 -11.156 1.00 0.00 H new ATOM 0 HG LEU A 17 4.576 -2.804 -8.565 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.362 -5.029 -9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.868 -4.557 -10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.434 -4.463 -10.958 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.987 -3.316 -8.559 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.121 -2.683 -10.216 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.679 -1.593 -8.881 1.00 0.00 H new ATOM 278 N LYS A 18 1.732 -0.207 -11.098 1.00 0.00 N ATOM 279 CA LYS A 18 0.918 0.463 -12.108 1.00 0.00 C ATOM 280 C LYS A 18 0.182 1.669 -11.528 1.00 0.00 C ATOM 281 O LYS A 18 -0.162 2.603 -12.253 1.00 0.00 O ATOM 282 CB LYS A 18 -0.086 -0.520 -12.712 1.00 0.00 C ATOM 283 CG LYS A 18 -0.220 -0.401 -14.220 1.00 0.00 C ATOM 284 CD LYS A 18 -0.387 -1.764 -14.871 1.00 0.00 C ATOM 285 CE LYS A 18 -0.384 -1.662 -16.388 1.00 0.00 C ATOM 286 NZ LYS A 18 0.369 -2.780 -17.019 1.00 0.00 N ATOM 0 H LYS A 18 1.220 -0.866 -10.511 1.00 0.00 H new ATOM 0 HA LYS A 18 1.588 0.823 -12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.217 -1.536 -12.462 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.062 -0.357 -12.255 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.077 0.227 -14.462 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.662 0.093 -14.627 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.419 -2.424 -14.548 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.321 -2.215 -14.538 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.411 -1.664 -16.754 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.059 -0.712 -16.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.347 -2.673 -18.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.356 -2.763 -16.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.069 -3.686 -16.755 1.00 0.00 H new ATOM 300 N LEU A 19 -0.064 1.644 -10.222 1.00 0.00 N ATOM 301 CA LEU A 19 -0.765 2.735 -9.556 1.00 0.00 C ATOM 302 C LEU A 19 -2.148 2.946 -10.165 1.00 0.00 C ATOM 303 O LEU A 19 -2.539 4.072 -10.474 1.00 0.00 O ATOM 304 CB LEU A 19 0.049 4.032 -9.642 1.00 0.00 C ATOM 305 CG LEU A 19 1.535 3.927 -9.260 1.00 0.00 C ATOM 306 CD1 LEU A 19 1.793 2.774 -8.299 1.00 0.00 C ATOM 307 CD2 LEU A 19 2.396 3.779 -10.502 1.00 0.00 C ATOM 0 H LEU A 19 0.212 0.880 -9.605 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.886 2.464 -8.507 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.017 4.411 -10.662 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.419 4.774 -8.996 1.00 0.00 H new ATOM 0 HG LEU A 19 1.805 4.851 -8.748 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.854 2.735 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.216 2.925 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.494 1.836 -8.767 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.444 3.706 -10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.105 2.877 -11.041 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.258 4.647 -11.146 1.00 0.00 H new ATOM 319 N THR A 20 -2.884 1.853 -10.333 1.00 0.00 N ATOM 320 CA THR A 20 -4.225 1.910 -10.902 1.00 0.00 C ATOM 321 C THR A 20 -5.061 0.728 -10.421 1.00 0.00 C ATOM 322 O THR A 20 -4.867 -0.403 -10.867 1.00 0.00 O ATOM 323 CB THR A 20 -4.153 1.914 -12.430 1.00 0.00 C ATOM 324 OG1 THR A 20 -2.964 2.544 -12.874 1.00 0.00 O ATOM 325 CG2 THR A 20 -5.319 2.623 -13.083 1.00 0.00 C ATOM 0 H THR A 20 -2.573 0.914 -10.082 1.00 0.00 H new ATOM 0 HA THR A 20 -4.701 2.832 -10.569 1.00 0.00 H new ATOM 0 HB THR A 20 -4.178 0.864 -12.723 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.935 2.536 -13.854 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.205 2.589 -14.166 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.249 2.130 -12.800 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.344 3.662 -12.754 1.00 0.00 H new ATOM 333 N VAL A 21 -5.986 0.995 -9.506 1.00 0.00 N ATOM 334 CA VAL A 21 -6.844 -0.054 -8.963 1.00 0.00 C ATOM 335 C VAL A 21 -7.836 -0.547 -10.010 1.00 0.00 C ATOM 336 O VAL A 21 -8.575 0.240 -10.601 1.00 0.00 O ATOM 337 CB VAL A 21 -7.625 0.422 -7.719 1.00 0.00 C ATOM 338 CG1 VAL A 21 -8.037 -0.767 -6.865 1.00 0.00 C ATOM 339 CG2 VAL A 21 -6.802 1.409 -6.902 1.00 0.00 C ATOM 0 H VAL A 21 -6.161 1.925 -9.125 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.184 -0.870 -8.669 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.525 0.935 -8.058 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.587 -0.415 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.672 -1.432 -7.450 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.148 -1.307 -6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.376 1.728 -6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.880 0.929 -6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.560 2.277 -7.516 1.00 0.00 H new ATOM 349 N GLU A 22 -7.846 -1.857 -10.234 1.00 0.00 N ATOM 350 CA GLU A 22 -8.745 -2.459 -11.211 1.00 0.00 C ATOM 351 C GLU A 22 -10.187 -2.432 -10.713 1.00 0.00 C ATOM 352 O GLU A 22 -10.647 -3.368 -10.061 1.00 0.00 O ATOM 353 CB GLU A 22 -8.322 -3.899 -11.504 1.00 0.00 C ATOM 354 CG GLU A 22 -8.725 -4.382 -12.887 1.00 0.00 C ATOM 355 CD GLU A 22 -9.972 -5.243 -12.863 1.00 0.00 C ATOM 356 OE1 GLU A 22 -11.084 -4.680 -12.941 1.00 0.00 O ATOM 357 OE2 GLU A 22 -9.837 -6.481 -12.765 1.00 0.00 O ATOM 0 H GLU A 22 -7.241 -2.522 -9.752 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.686 -1.876 -12.130 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.240 -3.979 -11.401 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.763 -4.558 -10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.895 -3.521 -13.533 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.904 -4.951 -13.323 1.00 0.00 H new ATOM 364 N THR A 23 -10.895 -1.352 -11.028 1.00 0.00 N ATOM 365 CA THR A 23 -12.285 -1.203 -10.615 1.00 0.00 C ATOM 366 C THR A 23 -13.226 -1.795 -11.662 1.00 0.00 C ATOM 367 O THR A 23 -13.009 -1.632 -12.863 1.00 0.00 O ATOM 368 CB THR A 23 -12.616 0.274 -10.390 1.00 0.00 C ATOM 369 OG1 THR A 23 -11.497 0.964 -9.862 1.00 0.00 O ATOM 370 CG2 THR A 23 -13.777 0.491 -9.445 1.00 0.00 C ATOM 0 H THR A 23 -10.529 -0.568 -11.568 1.00 0.00 H new ATOM 0 HA THR A 23 -12.423 -1.744 -9.679 1.00 0.00 H new ATOM 0 HB THR A 23 -12.891 0.660 -11.371 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.175 0.500 -9.061 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.958 1.560 -9.330 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.669 0.013 -9.849 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.541 0.057 -8.473 1.00 0.00 H new ATOM 378 N PRO A 24 -14.289 -2.493 -11.224 1.00 0.00 N ATOM 379 CA PRO A 24 -15.259 -3.106 -12.135 1.00 0.00 C ATOM 380 C PRO A 24 -16.088 -2.070 -12.887 1.00 0.00 C ATOM 381 O PRO A 24 -16.630 -2.353 -13.955 1.00 0.00 O ATOM 382 CB PRO A 24 -16.149 -3.930 -11.201 1.00 0.00 C ATOM 383 CG PRO A 24 -16.034 -3.263 -9.880 1.00 0.00 C ATOM 384 CD PRO A 24 -14.631 -2.739 -9.811 1.00 0.00 C ATOM 0 HA PRO A 24 -14.772 -3.695 -12.912 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.182 -3.943 -11.549 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.816 -4.967 -11.151 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.759 -2.455 -9.785 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.230 -3.964 -9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.572 -1.826 -9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.954 -3.461 -9.353 1.00 0.00 H new ATOM 392 N GLU A 25 -16.181 -0.869 -12.326 1.00 0.00 N ATOM 393 CA GLU A 25 -16.944 0.207 -12.947 1.00 0.00 C ATOM 394 C GLU A 25 -16.029 1.141 -13.732 1.00 0.00 C ATOM 395 O GLU A 25 -16.363 1.570 -14.837 1.00 0.00 O ATOM 396 CB GLU A 25 -17.711 0.996 -11.884 1.00 0.00 C ATOM 397 CG GLU A 25 -19.187 0.643 -11.812 1.00 0.00 C ATOM 398 CD GLU A 25 -20.040 1.798 -11.326 1.00 0.00 C ATOM 399 OE1 GLU A 25 -20.216 2.769 -12.091 1.00 0.00 O ATOM 400 OE2 GLU A 25 -20.533 1.731 -10.180 1.00 0.00 O ATOM 0 H GLU A 25 -15.738 -0.617 -11.443 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.656 -0.240 -13.641 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.255 0.816 -10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.610 2.061 -12.091 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.531 0.332 -12.799 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.321 -0.209 -11.145 1.00 0.00 H new ATOM 407 N GLY A 26 -14.874 1.454 -13.155 1.00 0.00 N ATOM 408 CA GLY A 26 -13.931 2.337 -13.817 1.00 0.00 C ATOM 409 C GLY A 26 -12.495 2.066 -13.411 1.00 0.00 C ATOM 410 O GLY A 26 -12.045 0.920 -13.419 1.00 0.00 O ATOM 0 H GLY A 26 -14.574 1.113 -12.242 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.027 2.222 -14.897 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.182 3.372 -13.583 1.00 0.00 H new ATOM 414 N SER A 27 -11.774 3.125 -13.057 1.00 0.00 N ATOM 415 CA SER A 27 -10.379 2.999 -12.647 1.00 0.00 C ATOM 416 C SER A 27 -10.008 4.088 -11.645 1.00 0.00 C ATOM 417 O SER A 27 -10.774 5.024 -11.419 1.00 0.00 O ATOM 418 CB SER A 27 -9.459 3.076 -13.867 1.00 0.00 C ATOM 419 OG SER A 27 -9.208 1.787 -14.399 1.00 0.00 O ATOM 0 H SER A 27 -12.132 4.080 -13.046 1.00 0.00 H new ATOM 0 HA SER A 27 -10.252 2.029 -12.166 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.915 3.706 -14.631 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.517 3.547 -13.587 1.00 0.00 H new ATOM 0 HG SER A 27 -9.984 1.210 -14.240 1.00 0.00 H new ATOM 425 N VAL A 28 -8.829 3.958 -11.046 1.00 0.00 N ATOM 426 CA VAL A 28 -8.361 4.931 -10.067 1.00 0.00 C ATOM 427 C VAL A 28 -6.912 5.330 -10.330 1.00 0.00 C ATOM 428 O VAL A 28 -5.987 4.573 -10.038 1.00 0.00 O ATOM 429 CB VAL A 28 -8.476 4.383 -8.632 1.00 0.00 C ATOM 430 CG1 VAL A 28 -8.177 5.475 -7.617 1.00 0.00 C ATOM 431 CG2 VAL A 28 -9.856 3.789 -8.396 1.00 0.00 C ATOM 0 H VAL A 28 -8.181 3.190 -11.221 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.999 5.809 -10.168 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.738 3.591 -8.506 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.263 5.069 -6.609 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.165 5.849 -7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.888 6.292 -7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.918 3.407 -7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.613 4.559 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.027 2.974 -9.100 1.00 0.00 H new ATOM 441 N HIS A 29 -6.723 6.526 -10.880 1.00 0.00 N ATOM 442 CA HIS A 29 -5.386 7.028 -11.176 1.00 0.00 C ATOM 443 C HIS A 29 -4.899 7.947 -10.060 1.00 0.00 C ATOM 444 O HIS A 29 -5.684 8.682 -9.462 1.00 0.00 O ATOM 445 CB HIS A 29 -5.383 7.776 -12.512 1.00 0.00 C ATOM 446 CG HIS A 29 -4.461 7.178 -13.529 1.00 0.00 C ATOM 447 ND1 HIS A 29 -4.142 5.837 -13.560 1.00 0.00 N ATOM 448 CD2 HIS A 29 -3.788 7.747 -14.558 1.00 0.00 C ATOM 449 CE1 HIS A 29 -3.312 5.607 -14.562 1.00 0.00 C ATOM 450 NE2 HIS A 29 -3.082 6.749 -15.183 1.00 0.00 N ATOM 0 H HIS A 29 -7.478 7.165 -11.129 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.708 6.178 -11.247 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.396 7.789 -12.914 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.096 8.813 -12.338 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.804 8.791 -14.835 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.893 4.648 -14.828 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.478 6.870 -15.996 1.00 0.00 H new ATOM 459 N LEU A 30 -3.601 7.897 -9.779 1.00 0.00 N ATOM 460 CA LEU A 30 -3.017 8.723 -8.728 1.00 0.00 C ATOM 461 C LEU A 30 -1.490 8.664 -8.763 1.00 0.00 C ATOM 462 O LEU A 30 -0.906 7.864 -9.494 1.00 0.00 O ATOM 463 CB LEU A 30 -3.549 8.289 -7.356 1.00 0.00 C ATOM 464 CG LEU A 30 -3.079 6.919 -6.849 1.00 0.00 C ATOM 465 CD1 LEU A 30 -2.947 5.917 -7.988 1.00 0.00 C ATOM 466 CD2 LEU A 30 -1.765 7.055 -6.100 1.00 0.00 C ATOM 0 H LEU A 30 -2.935 7.295 -10.263 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.311 9.758 -8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.261 9.043 -6.623 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.638 8.284 -7.397 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.836 6.539 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.612 4.958 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.914 5.791 -8.475 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.220 6.284 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.445 6.075 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.007 7.466 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.899 7.722 -5.248 1.00 0.00 H new ATOM 478 N THR A 31 -0.849 9.528 -7.979 1.00 0.00 N ATOM 479 CA THR A 31 0.611 9.587 -7.932 1.00 0.00 C ATOM 480 C THR A 31 1.198 8.346 -7.260 1.00 0.00 C ATOM 481 O THR A 31 0.717 7.907 -6.218 1.00 0.00 O ATOM 482 CB THR A 31 1.066 10.843 -7.189 1.00 0.00 C ATOM 483 OG1 THR A 31 0.307 11.968 -7.596 1.00 0.00 O ATOM 484 CG2 THR A 31 2.527 11.171 -7.407 1.00 0.00 C ATOM 0 H THR A 31 -1.317 10.197 -7.368 1.00 0.00 H new ATOM 0 HA THR A 31 0.975 9.622 -8.959 1.00 0.00 H new ATOM 0 HB THR A 31 0.914 10.625 -6.132 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.611 12.762 -7.108 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.784 12.073 -6.852 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.142 10.342 -7.057 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.709 11.334 -8.469 1.00 0.00 H new ATOM 492 N PRO A 32 2.256 7.763 -7.853 1.00 0.00 N ATOM 493 CA PRO A 32 2.907 6.564 -7.312 1.00 0.00 C ATOM 494 C PRO A 32 3.519 6.779 -5.932 1.00 0.00 C ATOM 495 O PRO A 32 3.912 5.820 -5.269 1.00 0.00 O ATOM 496 CB PRO A 32 4.004 6.250 -8.337 1.00 0.00 C ATOM 497 CG PRO A 32 4.228 7.529 -9.067 1.00 0.00 C ATOM 498 CD PRO A 32 2.898 8.222 -9.097 1.00 0.00 C ATOM 0 HA PRO A 32 2.187 5.758 -7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.916 5.910 -7.847 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.693 5.457 -9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.976 8.141 -8.563 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.595 7.344 -10.076 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.008 9.306 -9.118 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.318 7.944 -9.977 1.00 0.00 H new ATOM 506 N SER A 33 3.604 8.030 -5.498 1.00 0.00 N ATOM 507 CA SER A 33 4.176 8.334 -4.193 1.00 0.00 C ATOM 508 C SER A 33 3.195 8.008 -3.078 1.00 0.00 C ATOM 509 O SER A 33 3.596 7.657 -1.968 1.00 0.00 O ATOM 510 CB SER A 33 4.597 9.802 -4.117 1.00 0.00 C ATOM 511 OG SER A 33 3.490 10.635 -3.816 1.00 0.00 O ATOM 0 H SER A 33 3.287 8.844 -6.025 1.00 0.00 H new ATOM 0 HA SER A 33 5.061 7.711 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.366 9.924 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.038 10.107 -5.066 1.00 0.00 H new ATOM 0 HG SER A 33 3.579 10.980 -2.903 1.00 0.00 H new ATOM 517 N GLU A 34 1.911 8.109 -3.381 1.00 0.00 N ATOM 518 CA GLU A 34 0.878 7.806 -2.402 1.00 0.00 C ATOM 519 C GLU A 34 0.575 6.325 -2.415 1.00 0.00 C ATOM 520 O GLU A 34 0.513 5.679 -1.370 1.00 0.00 O ATOM 521 CB GLU A 34 -0.388 8.622 -2.678 1.00 0.00 C ATOM 522 CG GLU A 34 -0.217 10.112 -2.432 1.00 0.00 C ATOM 523 CD GLU A 34 -0.271 10.926 -3.711 1.00 0.00 C ATOM 524 OE1 GLU A 34 -1.105 10.606 -4.584 1.00 0.00 O ATOM 525 OE2 GLU A 34 0.522 11.882 -3.840 1.00 0.00 O ATOM 0 H GLU A 34 1.559 8.397 -4.294 1.00 0.00 H new ATOM 0 HA GLU A 34 1.243 8.080 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.693 8.466 -3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.195 8.249 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.998 10.456 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.737 10.287 -1.935 1.00 0.00 H new ATOM 532 N SER A 35 0.432 5.782 -3.606 1.00 0.00 N ATOM 533 CA SER A 35 0.188 4.361 -3.751 1.00 0.00 C ATOM 534 C SER A 35 1.503 3.609 -3.568 1.00 0.00 C ATOM 535 O SER A 35 1.518 2.389 -3.405 1.00 0.00 O ATOM 536 CB SER A 35 -0.437 4.048 -5.111 1.00 0.00 C ATOM 537 OG SER A 35 0.555 3.743 -6.074 1.00 0.00 O ATOM 0 H SER A 35 0.480 6.299 -4.484 1.00 0.00 H new ATOM 0 HA SER A 35 -0.520 4.038 -2.988 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.123 3.207 -5.013 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.025 4.901 -5.449 1.00 0.00 H new ATOM 0 HG SER A 35 0.449 4.331 -6.851 1.00 0.00 H new ATOM 543 N GLY A 36 2.612 4.356 -3.579 1.00 0.00 N ATOM 544 CA GLY A 36 3.909 3.751 -3.390 1.00 0.00 C ATOM 545 C GLY A 36 4.191 3.478 -1.930 1.00 0.00 C ATOM 546 O GLY A 36 4.965 2.581 -1.597 1.00 0.00 O ATOM 0 H GLY A 36 2.626 5.367 -3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.961 2.818 -3.951 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.679 4.408 -3.793 1.00 0.00 H new ATOM 550 N ILE A 37 3.553 4.249 -1.050 1.00 0.00 N ATOM 551 CA ILE A 37 3.743 4.065 0.384 1.00 0.00 C ATOM 552 C ILE A 37 2.976 2.849 0.878 1.00 0.00 C ATOM 553 O ILE A 37 3.405 2.168 1.810 1.00 0.00 O ATOM 554 CB ILE A 37 3.325 5.318 1.187 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.669 5.146 2.673 1.00 0.00 C ATOM 556 CG2 ILE A 37 1.843 5.617 0.998 1.00 0.00 C ATOM 557 CD1 ILE A 37 2.702 4.266 3.441 1.00 0.00 C ATOM 0 H ILE A 37 2.908 4.998 -1.303 1.00 0.00 H new ATOM 0 HA ILE A 37 4.809 3.904 0.548 1.00 0.00 H new ATOM 0 HB ILE A 37 3.886 6.171 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.670 4.723 2.755 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.699 6.129 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.574 6.503 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.639 5.794 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.254 4.768 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.019 4.198 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.702 4.697 3.394 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.689 3.269 3.000 1.00 0.00 H new ATOM 569 N LEU A 38 1.857 2.561 0.232 1.00 0.00 N ATOM 570 CA LEU A 38 1.053 1.401 0.592 1.00 0.00 C ATOM 571 C LEU A 38 1.680 0.137 0.009 1.00 0.00 C ATOM 572 O LEU A 38 1.297 -0.980 0.357 1.00 0.00 O ATOM 573 CB LEU A 38 -0.389 1.555 0.095 1.00 0.00 C ATOM 574 CG LEU A 38 -0.548 1.762 -1.413 1.00 0.00 C ATOM 575 CD1 LEU A 38 -0.313 0.458 -2.163 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.928 2.317 -1.731 1.00 0.00 C ATOM 0 H LEU A 38 1.485 3.112 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 38 1.028 1.322 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.951 0.667 0.383 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.844 2.401 0.610 1.00 0.00 H new ATOM 0 HG LEU A 38 0.200 2.484 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.431 0.627 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.696 0.099 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.036 -0.288 -1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.024 2.458 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.690 1.617 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.060 3.274 -1.226 1.00 0.00 H new ATOM 588 N LYS A 39 2.655 0.330 -0.880 1.00 0.00 N ATOM 589 CA LYS A 39 3.350 -0.778 -1.514 1.00 0.00 C ATOM 590 C LYS A 39 4.382 -1.374 -0.568 1.00 0.00 C ATOM 591 O LYS A 39 4.623 -2.581 -0.576 1.00 0.00 O ATOM 592 CB LYS A 39 4.020 -0.305 -2.811 1.00 0.00 C ATOM 593 CG LYS A 39 5.129 -1.220 -3.312 1.00 0.00 C ATOM 594 CD LYS A 39 6.467 -0.872 -2.679 1.00 0.00 C ATOM 595 CE LYS A 39 7.277 -2.119 -2.364 1.00 0.00 C ATOM 596 NZ LYS A 39 8.739 -1.839 -2.342 1.00 0.00 N ATOM 0 H LYS A 39 2.979 1.251 -1.175 1.00 0.00 H new ATOM 0 HA LYS A 39 2.623 -1.553 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.260 -0.216 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.431 0.692 -2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.877 -2.256 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.206 -1.140 -4.396 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.033 -0.230 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.301 -0.304 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.969 -2.518 -1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.065 -2.887 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.257 -2.714 -2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.038 -1.482 -3.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.945 -1.125 -1.615 1.00 0.00 H new ATOM 610 N ARG A 40 4.988 -0.522 0.248 1.00 0.00 N ATOM 611 CA ARG A 40 5.995 -0.976 1.200 1.00 0.00 C ATOM 612 C ARG A 40 5.347 -1.722 2.356 1.00 0.00 C ATOM 613 O ARG A 40 5.925 -2.658 2.908 1.00 0.00 O ATOM 614 CB ARG A 40 6.821 0.203 1.717 1.00 0.00 C ATOM 615 CG ARG A 40 8.120 0.412 0.954 1.00 0.00 C ATOM 616 CD ARG A 40 8.798 1.716 1.344 1.00 0.00 C ATOM 617 NE ARG A 40 8.898 2.640 0.216 1.00 0.00 N ATOM 618 CZ ARG A 40 9.825 2.550 -0.735 1.00 0.00 C ATOM 619 NH1 ARG A 40 10.730 1.581 -0.701 1.00 0.00 N ATOM 620 NH2 ARG A 40 9.845 3.433 -1.725 1.00 0.00 N ATOM 0 H ARG A 40 4.802 0.481 0.271 1.00 0.00 H new ATOM 0 HA ARG A 40 6.665 -1.663 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.222 1.111 1.655 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.049 0.043 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.795 -0.421 1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 40 7.917 0.414 -0.117 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.238 2.188 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 40 9.796 1.505 1.729 1.00 0.00 H new ATOM 0 HE ARG A 40 8.218 3.398 0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.718 0.899 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.437 1.518 -1.433 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.151 4.180 -1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.555 3.365 -2.454 1.00 0.00 H new ATOM 634 N LEU A 41 4.136 -1.317 2.700 1.00 0.00 N ATOM 635 CA LEU A 41 3.395 -1.965 3.773 1.00 0.00 C ATOM 636 C LEU A 41 2.753 -3.250 3.262 1.00 0.00 C ATOM 637 O LEU A 41 2.389 -4.130 4.042 1.00 0.00 O ATOM 638 CB LEU A 41 2.328 -1.024 4.337 1.00 0.00 C ATOM 639 CG LEU A 41 2.870 0.180 5.112 1.00 0.00 C ATOM 640 CD1 LEU A 41 1.729 0.986 5.713 1.00 0.00 C ATOM 641 CD2 LEU A 41 3.833 -0.274 6.199 1.00 0.00 C ATOM 0 H LEU A 41 3.644 -0.543 2.253 1.00 0.00 H new ATOM 0 HA LEU A 41 4.090 -2.213 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.714 -0.660 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.673 -1.595 4.995 1.00 0.00 H new ATOM 0 HG LEU A 41 3.413 0.820 4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.134 1.838 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.077 1.343 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.158 0.356 6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.208 0.595 6.739 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.314 -0.936 6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.668 -0.807 5.745 1.00 0.00 H new ATOM 653 N LEU A 42 2.633 -3.354 1.941 1.00 0.00 N ATOM 654 CA LEU A 42 2.056 -4.533 1.316 1.00 0.00 C ATOM 655 C LEU A 42 3.063 -5.674 1.312 1.00 0.00 C ATOM 656 O LEU A 42 2.689 -6.846 1.313 1.00 0.00 O ATOM 657 CB LEU A 42 1.618 -4.213 -0.116 1.00 0.00 C ATOM 658 CG LEU A 42 0.111 -4.272 -0.367 1.00 0.00 C ATOM 659 CD1 LEU A 42 -0.399 -5.699 -0.248 1.00 0.00 C ATOM 660 CD2 LEU A 42 -0.630 -3.358 0.597 1.00 0.00 C ATOM 0 H LEU A 42 2.930 -2.632 1.284 1.00 0.00 H new ATOM 0 HA LEU A 42 1.182 -4.839 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.974 -3.215 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.110 -4.911 -0.793 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.078 -3.925 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.473 -5.718 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.105 -6.328 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.194 -6.076 0.754 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.701 -3.415 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.431 -3.672 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.290 -2.332 0.459 1.00 0.00 H new ATOM 672 N ILE A 43 4.344 -5.324 1.314 1.00 0.00 N ATOM 673 CA ILE A 43 5.402 -6.326 1.317 1.00 0.00 C ATOM 674 C ILE A 43 5.430 -7.076 2.644 1.00 0.00 C ATOM 675 O ILE A 43 5.810 -8.246 2.697 1.00 0.00 O ATOM 676 CB ILE A 43 6.792 -5.706 1.056 1.00 0.00 C ATOM 677 CG1 ILE A 43 6.704 -4.579 0.023 1.00 0.00 C ATOM 678 CG2 ILE A 43 7.763 -6.779 0.587 1.00 0.00 C ATOM 679 CD1 ILE A 43 5.947 -4.961 -1.232 1.00 0.00 C ATOM 0 H ILE A 43 4.674 -4.359 1.314 1.00 0.00 H new ATOM 0 HA ILE A 43 5.179 -7.019 0.506 1.00 0.00 H new ATOM 0 HB ILE A 43 7.158 -5.280 1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.220 -3.716 0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.713 -4.270 -0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.740 -6.331 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 43 7.853 -7.549 1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.393 -7.227 -0.335 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.926 -4.113 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.443 -5.804 -1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.927 -5.241 -0.970 1.00 0.00 H new ATOM 691 N ASN A 44 5.020 -6.398 3.714 1.00 0.00 N ATOM 692 CA ASN A 44 4.995 -7.013 5.037 1.00 0.00 C ATOM 693 C ASN A 44 3.601 -7.533 5.366 1.00 0.00 C ATOM 694 O ASN A 44 3.447 -8.541 6.055 1.00 0.00 O ATOM 695 CB ASN A 44 5.453 -6.016 6.106 1.00 0.00 C ATOM 696 CG ASN A 44 4.820 -4.649 5.938 1.00 0.00 C ATOM 697 OD1 ASN A 44 5.464 -3.708 5.476 1.00 0.00 O ATOM 698 ND2 ASN A 44 3.552 -4.533 6.316 1.00 0.00 N ATOM 0 H ASN A 44 4.703 -5.429 3.691 1.00 0.00 H new ATOM 0 HA ASN A 44 5.686 -7.856 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.206 -6.408 7.093 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.538 -5.918 6.065 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.074 -3.636 6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.057 -5.341 6.694 1.00 0.00 H new ATOM 705 N LYS A 45 2.591 -6.837 4.861 1.00 0.00 N ATOM 706 CA LYS A 45 1.199 -7.218 5.085 1.00 0.00 C ATOM 707 C LYS A 45 0.937 -7.520 6.558 1.00 0.00 C ATOM 708 O LYS A 45 0.980 -8.675 6.982 1.00 0.00 O ATOM 709 CB LYS A 45 0.840 -8.437 4.234 1.00 0.00 C ATOM 710 CG LYS A 45 0.712 -8.131 2.750 1.00 0.00 C ATOM 711 CD LYS A 45 -0.515 -8.794 2.144 1.00 0.00 C ATOM 712 CE LYS A 45 -1.655 -7.803 1.960 1.00 0.00 C ATOM 713 NZ LYS A 45 -2.800 -8.096 2.866 1.00 0.00 N ATOM 0 H LYS A 45 2.709 -6.000 4.290 1.00 0.00 H new ATOM 0 HA LYS A 45 0.572 -6.376 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.602 -9.203 4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.101 -8.855 4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.652 -7.052 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.606 -8.474 2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.254 -9.232 1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.843 -9.611 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.292 -6.793 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.995 -7.830 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.251 -7.205 3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.494 -8.690 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.456 -8.599 3.709 1.00 0.00 H new ATOM 727 N GLY A 46 0.666 -6.476 7.333 1.00 0.00 N ATOM 728 CA GLY A 46 0.402 -6.654 8.749 1.00 0.00 C ATOM 729 C GLY A 46 1.664 -6.599 9.585 1.00 0.00 C ATOM 730 O GLY A 46 2.138 -7.625 10.074 1.00 0.00 O ATOM 0 H GLY A 46 0.624 -5.510 7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.288 -5.881 9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.092 -7.613 8.906 1.00 0.00 H new ATOM 734 N GLN A 47 2.210 -5.399 9.751 1.00 0.00 N ATOM 735 CA GLN A 47 3.425 -5.214 10.534 1.00 0.00 C ATOM 736 C GLN A 47 3.324 -3.967 11.406 1.00 0.00 C ATOM 737 O GLN A 47 2.495 -3.090 11.159 1.00 0.00 O ATOM 738 CB GLN A 47 4.640 -5.110 9.610 1.00 0.00 C ATOM 739 CG GLN A 47 5.827 -5.940 10.070 1.00 0.00 C ATOM 740 CD GLN A 47 6.932 -6.001 9.034 1.00 0.00 C ATOM 741 OE1 GLN A 47 7.097 -7.007 8.344 1.00 0.00 O ATOM 742 NE2 GLN A 47 7.697 -4.921 8.921 1.00 0.00 N ATOM 0 H GLN A 47 1.830 -4.540 9.353 1.00 0.00 H new ATOM 0 HA GLN A 47 3.546 -6.080 11.184 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.352 -5.427 8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.943 -4.066 9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.223 -5.519 10.994 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.492 -6.952 10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.524 -4.109 9.514 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.457 -4.903 8.241 1.00 0.00 H new ATOM 751 N LEU A 48 4.172 -3.893 12.426 1.00 0.00 N ATOM 752 CA LEU A 48 4.177 -2.752 13.333 1.00 0.00 C ATOM 753 C LEU A 48 5.199 -1.709 12.888 1.00 0.00 C ATOM 754 O LEU A 48 6.225 -1.510 13.539 1.00 0.00 O ATOM 755 CB LEU A 48 4.478 -3.212 14.762 1.00 0.00 C ATOM 756 CG LEU A 48 3.671 -2.506 15.853 1.00 0.00 C ATOM 757 CD1 LEU A 48 4.032 -1.030 15.913 1.00 0.00 C ATOM 758 CD2 LEU A 48 2.180 -2.682 15.609 1.00 0.00 C ATOM 0 H LEU A 48 4.864 -4.609 12.645 1.00 0.00 H new ATOM 0 HA LEU A 48 3.188 -2.294 13.311 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.291 -4.284 14.829 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.539 -3.060 14.960 1.00 0.00 H new ATOM 0 HG LEU A 48 3.919 -2.959 16.813 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.448 -0.544 16.695 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.094 -0.924 16.134 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.813 -0.563 14.953 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.620 -2.174 16.394 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.917 -2.255 14.641 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.933 -3.744 15.616 1.00 0.00 H new ATOM 770 N CYS A 49 4.910 -1.045 11.774 1.00 0.00 N ATOM 771 CA CYS A 49 5.801 -0.022 11.240 1.00 0.00 C ATOM 772 C CYS A 49 5.459 1.348 11.816 1.00 0.00 C ATOM 773 O CYS A 49 4.615 2.064 11.278 1.00 0.00 O ATOM 774 CB CYS A 49 5.711 0.016 9.713 1.00 0.00 C ATOM 775 SG CYS A 49 5.962 -1.589 8.918 1.00 0.00 S ATOM 0 H CYS A 49 4.065 -1.197 11.223 1.00 0.00 H new ATOM 0 HA CYS A 49 6.821 -0.275 11.530 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.733 0.402 9.427 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.454 0.718 9.333 1.00 0.00 H new ATOM 0 HG CYS A 49 5.865 -1.454 7.629 1.00 0.00 H new ATOM 781 N LEU A 50 6.120 1.704 12.915 1.00 0.00 N ATOM 782 CA LEU A 50 5.888 2.989 13.573 1.00 0.00 C ATOM 783 C LEU A 50 5.879 4.133 12.563 1.00 0.00 C ATOM 784 O LEU A 50 6.235 3.949 11.399 1.00 0.00 O ATOM 785 CB LEU A 50 6.958 3.247 14.640 1.00 0.00 C ATOM 786 CG LEU A 50 7.178 2.114 15.654 1.00 0.00 C ATOM 787 CD1 LEU A 50 5.893 1.334 15.894 1.00 0.00 C ATOM 788 CD2 LEU A 50 8.290 1.186 15.184 1.00 0.00 C ATOM 0 H LEU A 50 6.822 1.120 13.370 1.00 0.00 H new ATOM 0 HA LEU A 50 4.910 2.944 14.051 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.904 3.448 14.138 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.689 4.151 15.186 1.00 0.00 H new ATOM 0 HG LEU A 50 7.478 2.563 16.601 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.079 0.539 16.616 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.127 2.005 16.283 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.551 0.899 14.955 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.432 0.389 15.914 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.019 0.752 14.222 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.216 1.752 15.079 1.00 0.00 H new ATOM 800 N ARG A 51 5.465 5.312 13.016 1.00 0.00 N ATOM 801 CA ARG A 51 5.406 6.483 12.146 1.00 0.00 C ATOM 802 C ARG A 51 6.792 6.880 11.662 1.00 0.00 C ATOM 803 O ARG A 51 7.010 7.074 10.467 1.00 0.00 O ATOM 804 CB ARG A 51 4.735 7.667 12.854 1.00 0.00 C ATOM 805 CG ARG A 51 5.011 7.744 14.349 1.00 0.00 C ATOM 806 CD ARG A 51 4.931 9.175 14.856 1.00 0.00 C ATOM 807 NE ARG A 51 5.783 9.392 16.023 1.00 0.00 N ATOM 808 CZ ARG A 51 6.167 10.594 16.446 1.00 0.00 C ATOM 809 NH1 ARG A 51 5.781 11.687 15.801 1.00 0.00 N ATOM 810 NH2 ARG A 51 6.940 10.703 17.518 1.00 0.00 N ATOM 0 H ARG A 51 5.166 5.482 13.976 1.00 0.00 H new ATOM 0 HA ARG A 51 4.803 6.212 11.279 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.072 8.592 12.387 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.658 7.605 12.698 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.291 7.126 14.885 1.00 0.00 H new ATOM 0 HG3 ARG A 51 6.000 7.337 14.559 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.226 9.858 14.060 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.898 9.411 15.112 1.00 0.00 H new ATOM 0 HE ARG A 51 6.102 8.575 16.544 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.186 11.609 14.976 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.079 12.605 16.130 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.240 9.866 18.018 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.235 11.624 17.843 1.00 0.00 H new ATOM 824 N LYS A 52 7.720 6.994 12.596 1.00 0.00 N ATOM 825 CA LYS A 52 9.097 7.369 12.277 1.00 0.00 C ATOM 826 C LYS A 52 9.774 6.319 11.412 1.00 0.00 C ATOM 827 O LYS A 52 10.829 6.566 10.827 1.00 0.00 O ATOM 828 CB LYS A 52 9.901 7.593 13.558 1.00 0.00 C ATOM 829 CG LYS A 52 11.206 8.342 13.334 1.00 0.00 C ATOM 830 CD LYS A 52 11.420 9.420 14.386 1.00 0.00 C ATOM 831 CE LYS A 52 12.445 10.448 13.933 1.00 0.00 C ATOM 832 NZ LYS A 52 13.647 10.457 14.811 1.00 0.00 N ATOM 0 H LYS A 52 7.549 6.832 13.588 1.00 0.00 H new ATOM 0 HA LYS A 52 9.062 8.300 11.711 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.290 8.149 14.268 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.120 6.627 14.014 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.039 7.639 13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.200 8.796 12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.473 9.917 14.596 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.752 8.960 15.317 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.746 10.233 12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.990 11.438 13.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.321 11.171 14.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.364 10.687 15.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.097 9.519 14.794 1.00 0.00 H new ATOM 846 N HIS A 53 9.163 5.152 11.331 1.00 0.00 N ATOM 847 CA HIS A 53 9.697 4.065 10.539 1.00 0.00 C ATOM 848 C HIS A 53 9.162 4.123 9.120 1.00 0.00 C ATOM 849 O HIS A 53 9.882 3.871 8.155 1.00 0.00 O ATOM 850 CB HIS A 53 9.311 2.749 11.186 1.00 0.00 C ATOM 851 CG HIS A 53 10.126 1.581 10.725 1.00 0.00 C ATOM 852 ND1 HIS A 53 11.504 1.557 10.775 1.00 0.00 N ATOM 853 CD2 HIS A 53 9.750 0.389 10.202 1.00 0.00 C ATOM 854 CE1 HIS A 53 11.940 0.403 10.303 1.00 0.00 C ATOM 855 NE2 HIS A 53 10.896 -0.324 9.949 1.00 0.00 N ATOM 0 H HIS A 53 8.289 4.934 11.809 1.00 0.00 H new ATOM 0 HA HIS A 53 10.783 4.152 10.496 1.00 0.00 H new ATOM 0 HB2 HIS A 53 9.411 2.844 12.267 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.260 2.549 10.980 1.00 0.00 H new ATOM 0 HD2 HIS A 53 8.738 0.061 10.018 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.975 0.105 10.221 1.00 0.00 H new ATOM 0 HE2 HIS A 53 10.935 -1.263 9.552 1.00 0.00 H new ATOM 864 N LEU A 54 7.889 4.459 9.010 1.00 0.00 N ATOM 865 CA LEU A 54 7.235 4.559 7.716 1.00 0.00 C ATOM 866 C LEU A 54 7.700 5.798 6.974 1.00 0.00 C ATOM 867 O LEU A 54 7.731 5.819 5.745 1.00 0.00 O ATOM 868 CB LEU A 54 5.715 4.580 7.882 1.00 0.00 C ATOM 869 CG LEU A 54 4.919 4.430 6.584 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.570 2.971 6.338 1.00 0.00 C ATOM 871 CD2 LEU A 54 3.658 5.282 6.631 1.00 0.00 C ATOM 0 H LEU A 54 7.285 4.668 9.805 1.00 0.00 H new ATOM 0 HA LEU A 54 7.508 3.682 7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.428 3.777 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.430 5.518 8.359 1.00 0.00 H new ATOM 0 HG LEU A 54 5.538 4.778 5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.004 2.884 5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.486 2.386 6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.969 2.596 7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.104 5.163 5.700 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.035 4.964 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.931 6.329 6.760 1.00 0.00 H new ATOM 883 N LEU A 55 8.079 6.823 7.722 1.00 0.00 N ATOM 884 CA LEU A 55 8.562 8.055 7.115 1.00 0.00 C ATOM 885 C LEU A 55 10.023 7.909 6.709 1.00 0.00 C ATOM 886 O LEU A 55 10.529 8.677 5.892 1.00 0.00 O ATOM 887 CB LEU A 55 8.397 9.235 8.072 1.00 0.00 C ATOM 888 CG LEU A 55 8.923 9.002 9.487 1.00 0.00 C ATOM 889 CD1 LEU A 55 10.397 9.356 9.583 1.00 0.00 C ATOM 890 CD2 LEU A 55 8.103 9.796 10.493 1.00 0.00 C ATOM 0 H LEU A 55 8.062 6.828 8.742 1.00 0.00 H new ATOM 0 HA LEU A 55 7.966 8.250 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.908 10.100 7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.339 9.489 8.132 1.00 0.00 H new ATOM 0 HG LEU A 55 8.821 7.943 9.723 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.748 9.181 10.600 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.966 8.735 8.891 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.536 10.406 9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.489 9.620 11.497 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.170 10.859 10.259 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.061 9.479 10.444 1.00 0.00 H new ATOM 902 N GLU A 56 10.696 6.914 7.281 1.00 0.00 N ATOM 903 CA GLU A 56 12.095 6.665 6.972 1.00 0.00 C ATOM 904 C GLU A 56 12.235 5.851 5.690 1.00 0.00 C ATOM 905 O GLU A 56 13.294 5.848 5.062 1.00 0.00 O ATOM 906 CB GLU A 56 12.777 5.937 8.132 1.00 0.00 C ATOM 907 CG GLU A 56 13.458 6.870 9.119 1.00 0.00 C ATOM 908 CD GLU A 56 14.764 7.428 8.589 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.534 6.658 7.977 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.017 8.635 8.785 1.00 0.00 O ATOM 0 H GLU A 56 10.292 6.269 7.960 1.00 0.00 H new ATOM 0 HA GLU A 56 12.583 7.628 6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.035 5.340 8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.516 5.244 7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.785 7.694 9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.647 6.334 10.049 1.00 0.00 H new ATOM 917 N GLU A 57 11.165 5.162 5.301 1.00 0.00 N ATOM 918 CA GLU A 57 11.191 4.352 4.088 1.00 0.00 C ATOM 919 C GLU A 57 10.852 5.190 2.869 1.00 0.00 C ATOM 920 O GLU A 57 11.411 4.990 1.791 1.00 0.00 O ATOM 921 CB GLU A 57 10.229 3.167 4.205 1.00 0.00 C ATOM 922 CG GLU A 57 8.848 3.551 4.710 1.00 0.00 C ATOM 923 CD GLU A 57 7.845 2.422 4.578 1.00 0.00 C ATOM 924 OE1 GLU A 57 8.081 1.347 5.168 1.00 0.00 O ATOM 925 OE2 GLU A 57 6.824 2.613 3.885 1.00 0.00 O ATOM 0 H GLU A 57 10.277 5.148 5.803 1.00 0.00 H new ATOM 0 HA GLU A 57 12.202 3.964 3.966 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.130 2.692 3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.659 2.426 4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.918 3.850 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.490 4.417 4.154 1.00 0.00 H new ATOM 932 N ILE A 58 9.959 6.147 3.050 1.00 0.00 N ATOM 933 CA ILE A 58 9.582 7.035 1.958 1.00 0.00 C ATOM 934 C ILE A 58 10.593 8.167 1.855 1.00 0.00 C ATOM 935 O ILE A 58 10.789 8.748 0.788 1.00 0.00 O ATOM 936 CB ILE A 58 8.158 7.625 2.113 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.391 6.932 3.245 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.399 7.500 0.797 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.899 7.187 3.221 1.00 0.00 C ATOM 0 H ILE A 58 9.484 6.331 3.934 1.00 0.00 H new ATOM 0 HA ILE A 58 9.577 6.435 1.048 1.00 0.00 H new ATOM 0 HB ILE A 58 8.249 8.680 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.567 5.858 3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.792 7.268 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.399 7.917 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.931 8.045 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.324 6.449 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.427 6.663 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.711 8.257 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.483 6.825 2.281 1.00 0.00 H new ATOM 951 N LYS A 59 11.253 8.453 2.974 1.00 0.00 N ATOM 952 CA LYS A 59 12.269 9.490 3.018 1.00 0.00 C ATOM 953 C LYS A 59 13.511 9.019 2.275 1.00 0.00 C ATOM 954 O LYS A 59 14.205 9.812 1.638 1.00 0.00 O ATOM 955 CB LYS A 59 12.612 9.839 4.469 1.00 0.00 C ATOM 956 CG LYS A 59 13.753 10.835 4.606 1.00 0.00 C ATOM 957 CD LYS A 59 13.655 11.620 5.904 1.00 0.00 C ATOM 958 CE LYS A 59 15.005 12.178 6.321 1.00 0.00 C ATOM 959 NZ LYS A 59 15.163 12.205 7.802 1.00 0.00 N ATOM 0 H LYS A 59 11.099 7.977 3.863 1.00 0.00 H new ATOM 0 HA LYS A 59 11.885 10.388 2.534 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.725 10.247 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.874 8.924 5.001 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.705 10.306 4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.739 11.524 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.944 12.437 5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.268 10.975 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.799 11.573 5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.118 13.187 5.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.097 12.592 8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.421 12.803 8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.081 11.239 8.178 1.00 0.00 H new ATOM 973 N ASN A 60 13.774 7.714 2.342 1.00 0.00 N ATOM 974 CA ASN A 60 14.917 7.135 1.657 1.00 0.00 C ATOM 975 C ASN A 60 14.620 6.968 0.166 1.00 0.00 C ATOM 976 O ASN A 60 15.491 6.576 -0.610 1.00 0.00 O ATOM 977 CB ASN A 60 15.280 5.783 2.273 1.00 0.00 C ATOM 978 CG ASN A 60 16.779 5.566 2.345 1.00 0.00 C ATOM 979 OD1 ASN A 60 17.319 4.663 1.706 1.00 0.00 O ATOM 980 ND2 ASN A 60 17.460 6.396 3.127 1.00 0.00 N ATOM 0 H ASN A 60 13.209 7.044 2.864 1.00 0.00 H new ATOM 0 HA ASN A 60 15.764 7.812 1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.857 5.718 3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.828 4.985 1.684 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.471 6.299 3.216 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.972 7.131 3.639 1.00 0.00 H new ATOM 987 N HIS A 61 13.381 7.270 -0.224 1.00 0.00 N ATOM 988 CA HIS A 61 12.960 7.159 -1.608 1.00 0.00 C ATOM 989 C HIS A 61 12.114 8.364 -2.012 1.00 0.00 C ATOM 990 O HIS A 61 11.114 8.226 -2.716 1.00 0.00 O ATOM 991 CB HIS A 61 12.170 5.865 -1.815 1.00 0.00 C ATOM 992 CG HIS A 61 12.244 5.333 -3.212 1.00 0.00 C ATOM 993 ND1 HIS A 61 12.667 4.054 -3.509 1.00 0.00 N ATOM 994 CD2 HIS A 61 11.943 5.912 -4.399 1.00 0.00 C ATOM 995 CE1 HIS A 61 12.625 3.871 -4.817 1.00 0.00 C ATOM 996 NE2 HIS A 61 12.189 4.982 -5.379 1.00 0.00 N ATOM 0 H HIS A 61 12.651 7.595 0.410 1.00 0.00 H new ATOM 0 HA HIS A 61 13.849 7.136 -2.239 1.00 0.00 H new ATOM 0 HB2 HIS A 61 12.544 5.107 -1.127 1.00 0.00 H new ATOM 0 HB3 HIS A 61 11.126 6.042 -1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 61 11.578 6.917 -4.547 1.00 0.00 H new ATOM 0 HE1 HIS A 61 12.901 2.966 -5.337 1.00 0.00 H new ATOM 0 HE2 HIS A 61 12.056 5.127 -6.380 1.00 0.00 H new ATOM 1005 N ALA A 62 12.524 9.546 -1.556 1.00 0.00 N ATOM 1006 CA ALA A 62 11.811 10.784 -1.860 1.00 0.00 C ATOM 1007 C ALA A 62 10.449 10.822 -1.176 1.00 0.00 C ATOM 1008 O ALA A 62 9.426 10.524 -1.793 1.00 0.00 O ATOM 1009 CB ALA A 62 11.650 10.958 -3.364 1.00 0.00 C ATOM 0 H ALA A 62 13.351 9.672 -0.972 1.00 0.00 H new ATOM 0 HA ALA A 62 12.407 11.611 -1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 62 11.116 11.886 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.633 10.994 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.085 10.118 -3.769 1.00 0.00 H new ATOM 1015 N LYS A 63 10.442 11.200 0.098 1.00 0.00 N ATOM 1016 CA LYS A 63 9.202 11.287 0.862 1.00 0.00 C ATOM 1017 C LYS A 63 8.369 12.471 0.384 1.00 0.00 C ATOM 1018 O LYS A 63 8.165 13.438 1.118 1.00 0.00 O ATOM 1019 CB LYS A 63 9.506 11.433 2.354 1.00 0.00 C ATOM 1020 CG LYS A 63 10.464 12.571 2.666 1.00 0.00 C ATOM 1021 CD LYS A 63 10.410 12.960 4.134 1.00 0.00 C ATOM 1022 CE LYS A 63 10.700 14.439 4.328 1.00 0.00 C ATOM 1023 NZ LYS A 63 11.316 14.716 5.655 1.00 0.00 N ATOM 0 H LYS A 63 11.280 11.451 0.623 1.00 0.00 H new ATOM 0 HA LYS A 63 8.635 10.369 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.573 11.595 2.893 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.930 10.499 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.480 12.274 2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.216 13.436 2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.425 12.725 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.134 12.369 4.695 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.368 14.784 3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.774 15.006 4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.176 15.717 5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.869 14.116 6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.334 14.509 5.615 1.00 0.00 H new ATOM 1037 N ALA A 64 7.900 12.393 -0.857 1.00 0.00 N ATOM 1038 CA ALA A 64 7.101 13.464 -1.436 1.00 0.00 C ATOM 1039 C ALA A 64 7.931 14.736 -1.572 1.00 0.00 C ATOM 1040 O ALA A 64 7.990 15.551 -0.652 1.00 0.00 O ATOM 1041 CB ALA A 64 5.862 13.723 -0.591 1.00 0.00 C ATOM 0 H ALA A 64 8.060 11.601 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 64 6.780 13.154 -2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.277 14.526 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.258 12.817 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.162 14.011 0.416 1.00 0.00 H new ATOM 1047 N ILE A 65 8.575 14.896 -2.724 1.00 0.00 N ATOM 1048 CA ILE A 65 9.406 16.059 -2.983 1.00 0.00 C ATOM 1049 C ILE A 65 8.589 17.201 -3.582 1.00 0.00 C ATOM 1050 O ILE A 65 9.049 17.904 -4.483 1.00 0.00 O ATOM 1051 CB ILE A 65 10.570 15.715 -3.933 1.00 0.00 C ATOM 1052 CG1 ILE A 65 10.137 14.692 -4.988 1.00 0.00 C ATOM 1053 CG2 ILE A 65 11.764 15.197 -3.145 1.00 0.00 C ATOM 1054 CD1 ILE A 65 11.080 14.604 -6.168 1.00 0.00 C ATOM 0 H ILE A 65 8.535 14.229 -3.495 1.00 0.00 H new ATOM 0 HA ILE A 65 9.813 16.378 -2.023 1.00 0.00 H new ATOM 0 HB ILE A 65 10.864 16.628 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.061 13.710 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.141 14.952 -5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 65 12.577 14.959 -3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 65 12.095 15.961 -2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.477 14.299 -2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.711 13.860 -6.874 1.00 0.00 H new ATOM 0 HD12 ILE A 65 11.138 15.575 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 65 12.071 14.313 -5.821 1.00 0.00 H new ATOM 1066 N VAL A 66 7.375 17.382 -3.073 1.00 0.00 N ATOM 1067 CA VAL A 66 6.491 18.438 -3.552 1.00 0.00 C ATOM 1068 C VAL A 66 5.534 18.885 -2.452 1.00 0.00 C ATOM 1069 O VAL A 66 4.355 19.140 -2.702 1.00 0.00 O ATOM 1070 CB VAL A 66 5.673 17.979 -4.774 1.00 0.00 C ATOM 1071 CG1 VAL A 66 4.964 19.160 -5.418 1.00 0.00 C ATOM 1072 CG2 VAL A 66 6.567 17.271 -5.780 1.00 0.00 C ATOM 0 H VAL A 66 6.980 16.809 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 66 7.125 19.275 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 66 4.916 17.272 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.392 18.815 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.290 19.618 -4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.701 19.894 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.971 16.954 -6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.349 17.952 -6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.022 16.398 -5.312 1.00 0.00 H new ATOM 1082 N ALA A 67 6.050 18.976 -1.231 1.00 0.00 N ATOM 1083 CA ALA A 67 5.243 19.389 -0.089 1.00 0.00 C ATOM 1084 C ALA A 67 4.092 18.416 0.147 1.00 0.00 C ATOM 1085 O ALA A 67 2.924 18.765 -0.030 1.00 0.00 O ATOM 1086 CB ALA A 67 4.715 20.801 -0.298 1.00 0.00 C ATOM 0 H ALA A 67 7.023 18.769 -1.007 1.00 0.00 H new ATOM 0 HA ALA A 67 5.877 19.381 0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.114 21.096 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.552 21.490 -0.409 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.100 20.830 -1.197 1.00 0.00 H new ATOM 1092 N ARG A 68 4.430 17.192 0.542 1.00 0.00 N ATOM 1093 CA ARG A 68 3.426 16.165 0.797 1.00 0.00 C ATOM 1094 C ARG A 68 3.978 15.076 1.714 1.00 0.00 C ATOM 1095 O ARG A 68 3.962 13.894 1.368 1.00 0.00 O ATOM 1096 CB ARG A 68 2.950 15.551 -0.521 1.00 0.00 C ATOM 1097 CG ARG A 68 2.172 16.520 -1.396 1.00 0.00 C ATOM 1098 CD ARG A 68 1.586 15.825 -2.614 1.00 0.00 C ATOM 1099 NE ARG A 68 0.860 16.754 -3.477 1.00 0.00 N ATOM 1100 CZ ARG A 68 0.559 16.504 -4.749 1.00 0.00 C ATOM 1101 NH1 ARG A 68 0.918 15.355 -5.310 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -0.104 17.404 -5.462 1.00 0.00 N ATOM 0 H ARG A 68 5.392 16.887 0.692 1.00 0.00 H new ATOM 0 HA ARG A 68 2.579 16.636 1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.815 15.187 -1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.323 14.686 -0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.370 16.974 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.829 17.328 -1.718 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.387 15.353 -3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.914 15.030 -2.290 1.00 0.00 H new ATOM 0 HE ARG A 68 0.567 17.647 -3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.427 14.659 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.685 15.169 -6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.383 18.288 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.335 17.213 -6.437 1.00 0.00 H new ATOM 1116 N ASN A 69 4.470 15.484 2.884 1.00 0.00 N ATOM 1117 CA ASN A 69 5.035 14.549 3.861 1.00 0.00 C ATOM 1118 C ASN A 69 4.192 13.279 3.972 1.00 0.00 C ATOM 1119 O ASN A 69 3.034 13.252 3.556 1.00 0.00 O ATOM 1120 CB ASN A 69 5.146 15.220 5.231 1.00 0.00 C ATOM 1121 CG ASN A 69 3.852 15.890 5.652 1.00 0.00 C ATOM 1122 OD1 ASN A 69 2.943 15.241 6.169 1.00 0.00 O ATOM 1123 ND2 ASN A 69 3.763 17.197 5.431 1.00 0.00 N ATOM 0 H ASN A 69 4.489 16.460 3.180 1.00 0.00 H new ATOM 0 HA ASN A 69 6.029 14.267 3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 69 5.426 14.475 5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.945 15.961 5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.916 17.702 5.693 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.541 17.695 5.000 1.00 0.00 H new ATOM 1130 N VAL A 70 4.784 12.227 4.531 1.00 0.00 N ATOM 1131 CA VAL A 70 4.088 10.955 4.687 1.00 0.00 C ATOM 1132 C VAL A 70 2.780 11.121 5.450 1.00 0.00 C ATOM 1133 O VAL A 70 1.842 10.348 5.266 1.00 0.00 O ATOM 1134 CB VAL A 70 4.970 9.905 5.398 1.00 0.00 C ATOM 1135 CG1 VAL A 70 5.252 10.307 6.839 1.00 0.00 C ATOM 1136 CG2 VAL A 70 4.315 8.534 5.341 1.00 0.00 C ATOM 0 H VAL A 70 5.742 12.231 4.882 1.00 0.00 H new ATOM 0 HA VAL A 70 3.865 10.600 3.681 1.00 0.00 H new ATOM 0 HB VAL A 70 5.924 9.856 4.874 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.875 9.548 7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.772 11.265 6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.311 10.396 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.950 7.806 5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.344 8.574 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.181 8.238 4.301 1.00 0.00 H new ATOM 1146 N ASP A 71 2.721 12.136 6.300 1.00 0.00 N ATOM 1147 CA ASP A 71 1.522 12.403 7.084 1.00 0.00 C ATOM 1148 C ASP A 71 0.350 12.716 6.175 1.00 0.00 C ATOM 1149 O ASP A 71 -0.617 11.958 6.099 1.00 0.00 O ATOM 1150 CB ASP A 71 1.763 13.560 8.056 1.00 0.00 C ATOM 1151 CG ASP A 71 1.133 13.316 9.413 1.00 0.00 C ATOM 1152 OD1 ASP A 71 -0.021 12.838 9.454 1.00 0.00 O ATOM 1153 OD2 ASP A 71 1.793 13.601 10.434 1.00 0.00 O ATOM 0 H ASP A 71 3.488 12.788 6.465 1.00 0.00 H new ATOM 0 HA ASP A 71 1.284 11.509 7.660 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.836 13.711 8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.359 14.478 7.631 1.00 0.00 H new ATOM 1158 N VAL A 72 0.453 13.831 5.478 1.00 0.00 N ATOM 1159 CA VAL A 72 -0.590 14.250 4.551 1.00 0.00 C ATOM 1160 C VAL A 72 -0.831 13.178 3.496 1.00 0.00 C ATOM 1161 O VAL A 72 -1.898 13.121 2.885 1.00 0.00 O ATOM 1162 CB VAL A 72 -0.230 15.575 3.854 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -1.413 16.097 3.054 1.00 0.00 C ATOM 1164 CG2 VAL A 72 0.232 16.606 4.873 1.00 0.00 C ATOM 0 H VAL A 72 1.249 14.467 5.534 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.498 14.400 5.135 1.00 0.00 H new ATOM 0 HB VAL A 72 0.592 15.389 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.139 17.034 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.692 15.364 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.257 16.268 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.482 17.536 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.566 16.790 5.592 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.112 16.232 5.396 1.00 0.00 H new ATOM 1174 N HIS A 73 0.167 12.322 3.295 1.00 0.00 N ATOM 1175 CA HIS A 73 0.065 11.244 2.325 1.00 0.00 C ATOM 1176 C HIS A 73 -0.826 10.129 2.856 1.00 0.00 C ATOM 1177 O HIS A 73 -1.482 9.427 2.087 1.00 0.00 O ATOM 1178 CB HIS A 73 1.453 10.695 1.985 1.00 0.00 C ATOM 1179 CG HIS A 73 1.942 11.101 0.628 1.00 0.00 C ATOM 1180 ND1 HIS A 73 1.587 12.289 0.024 1.00 0.00 N ATOM 1181 CD2 HIS A 73 2.764 10.469 -0.243 1.00 0.00 C ATOM 1182 CE1 HIS A 73 2.170 12.370 -1.160 1.00 0.00 C ATOM 1183 NE2 HIS A 73 2.890 11.279 -1.345 1.00 0.00 N ATOM 0 H HIS A 73 1.056 12.357 3.794 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.384 11.644 1.416 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.164 11.038 2.736 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.428 9.607 2.043 1.00 0.00 H new ATOM 0 HD1 HIS A 73 0.971 12.995 0.428 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.233 9.507 -0.098 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.074 13.189 -1.857 1.00 0.00 H new ATOM 1192 N ILE A 74 -0.852 9.978 4.175 1.00 0.00 N ATOM 1193 CA ILE A 74 -1.675 8.951 4.801 1.00 0.00 C ATOM 1194 C ILE A 74 -3.152 9.287 4.650 1.00 0.00 C ATOM 1195 O ILE A 74 -3.995 8.397 4.536 1.00 0.00 O ATOM 1196 CB ILE A 74 -1.324 8.768 6.297 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.009 8.030 6.438 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -2.425 8.010 7.030 1.00 0.00 C ATOM 1199 CD1 ILE A 74 0.435 7.816 7.874 1.00 0.00 C ATOM 0 H ILE A 74 -0.316 10.550 4.828 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.467 8.011 4.291 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.235 9.756 6.749 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.067 7.062 5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.784 8.594 5.918 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.152 7.896 8.079 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -3.360 8.566 6.957 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.552 7.026 6.579 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.388 7.287 7.896 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.544 8.781 8.369 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.320 7.225 8.393 1.00 0.00 H new ATOM 1211 N ALA A 75 -3.456 10.577 4.636 1.00 0.00 N ATOM 1212 CA ALA A 75 -4.828 11.031 4.482 1.00 0.00 C ATOM 1213 C ALA A 75 -5.294 10.819 3.056 1.00 0.00 C ATOM 1214 O ALA A 75 -6.348 10.233 2.811 1.00 0.00 O ATOM 1215 CB ALA A 75 -4.959 12.493 4.882 1.00 0.00 C ATOM 0 H ALA A 75 -2.770 11.326 4.729 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.464 10.443 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.994 12.813 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.664 12.613 5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.314 13.103 4.250 1.00 0.00 H new ATOM 1221 N SER A 76 -4.482 11.273 2.120 1.00 0.00 N ATOM 1222 CA SER A 76 -4.786 11.110 0.707 1.00 0.00 C ATOM 1223 C SER A 76 -4.782 9.629 0.352 1.00 0.00 C ATOM 1224 O SER A 76 -5.421 9.203 -0.611 1.00 0.00 O ATOM 1225 CB SER A 76 -3.771 11.864 -0.154 1.00 0.00 C ATOM 1226 OG SER A 76 -3.149 12.903 0.582 1.00 0.00 O ATOM 0 H SER A 76 -3.605 11.758 2.311 1.00 0.00 H new ATOM 0 HA SER A 76 -5.774 11.525 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.014 11.170 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.270 12.282 -1.028 1.00 0.00 H new ATOM 0 HG SER A 76 -2.476 12.521 1.183 1.00 0.00 H new ATOM 1232 N LEU A 77 -4.063 8.849 1.154 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.974 7.412 0.953 1.00 0.00 C ATOM 1234 C LEU A 77 -5.331 6.766 1.175 1.00 0.00 C ATOM 1235 O LEU A 77 -5.702 5.813 0.492 1.00 0.00 O ATOM 1236 CB LEU A 77 -2.941 6.808 1.911 1.00 0.00 C ATOM 1237 CG LEU A 77 -1.684 6.237 1.250 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -1.971 4.867 0.656 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.156 7.184 0.182 1.00 0.00 C ATOM 0 H LEU A 77 -3.531 9.194 1.953 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.658 7.221 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.639 7.576 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.422 6.015 2.483 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.916 6.128 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.067 4.476 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.295 4.189 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.757 4.953 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.263 6.757 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.918 7.331 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.908 8.143 0.637 1.00 0.00 H new ATOM 1251 N ARG A 78 -6.068 7.300 2.137 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.391 6.783 2.459 1.00 0.00 C ATOM 1253 C ARG A 78 -8.329 6.905 1.265 1.00 0.00 C ATOM 1254 O ARG A 78 -9.283 6.139 1.131 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.972 7.522 3.667 1.00 0.00 C ATOM 1256 CG ARG A 78 -8.200 6.627 4.874 1.00 0.00 C ATOM 1257 CD ARG A 78 -8.379 7.440 6.147 1.00 0.00 C ATOM 1258 NE ARG A 78 -9.455 6.915 6.984 1.00 0.00 N ATOM 1259 CZ ARG A 78 -9.603 7.210 8.274 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -8.748 8.026 8.877 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -10.608 6.687 8.962 1.00 0.00 N ATOM 0 H ARG A 78 -5.773 8.091 2.709 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.291 5.726 2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.297 8.331 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.918 7.981 3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.083 6.010 4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.354 5.949 4.990 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.447 7.439 6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.594 8.477 5.888 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.133 6.285 6.555 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.973 8.431 8.352 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.866 8.249 9.865 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.268 6.059 8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.722 6.913 9.950 1.00 0.00 H new ATOM 1275 N LYS A 79 -8.053 7.873 0.401 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.874 8.096 -0.782 1.00 0.00 C ATOM 1277 C LYS A 79 -8.364 7.298 -1.970 1.00 0.00 C ATOM 1278 O LYS A 79 -9.117 6.572 -2.618 1.00 0.00 O ATOM 1279 CB LYS A 79 -8.919 9.586 -1.129 1.00 0.00 C ATOM 1280 CG LYS A 79 -9.717 10.417 -0.137 1.00 0.00 C ATOM 1281 CD LYS A 79 -9.365 11.894 -0.234 1.00 0.00 C ATOM 1282 CE LYS A 79 -10.553 12.723 -0.698 1.00 0.00 C ATOM 1283 NZ LYS A 79 -11.212 12.130 -1.894 1.00 0.00 N ATOM 0 H LYS A 79 -7.267 8.516 0.497 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.883 7.753 -0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.900 9.971 -1.176 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.351 9.707 -2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.783 10.283 -0.323 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.523 10.062 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.028 12.253 0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.535 12.026 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.277 12.804 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.221 13.735 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.589 12.890 -2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.518 11.574 -2.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.990 11.510 -1.590 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.083 7.442 -2.248 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.457 6.740 -3.361 1.00 0.00 C ATOM 1299 C LYS A 80 -6.562 5.234 -3.178 1.00 0.00 C ATOM 1300 O LYS A 80 -7.165 4.533 -3.991 1.00 0.00 O ATOM 1301 CB LYS A 80 -4.988 7.149 -3.492 1.00 0.00 C ATOM 1302 CG LYS A 80 -4.796 8.570 -3.998 1.00 0.00 C ATOM 1303 CD LYS A 80 -3.458 9.142 -3.557 1.00 0.00 C ATOM 1304 CE LYS A 80 -3.580 10.606 -3.166 1.00 0.00 C ATOM 1305 NZ LYS A 80 -4.050 11.448 -4.301 1.00 0.00 N ATOM 0 H LYS A 80 -6.450 8.041 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.984 7.016 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.503 7.049 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.486 6.459 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.857 8.581 -5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.603 9.202 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.077 8.569 -2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.733 9.039 -4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.274 10.702 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.613 10.971 -2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.991 12.452 -4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.452 11.274 -5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.036 11.207 -4.527 1.00 0.00 H new ATOM 1319 N LEU A 81 -5.969 4.754 -2.103 1.00 0.00 N ATOM 1320 CA LEU A 81 -5.978 3.330 -1.784 1.00 0.00 C ATOM 1321 C LEU A 81 -7.394 2.845 -1.484 1.00 0.00 C ATOM 1322 O LEU A 81 -7.859 1.864 -2.066 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.058 3.052 -0.592 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.044 1.605 -0.093 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -4.976 0.627 -1.255 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -3.877 1.383 0.859 1.00 0.00 C ATOM 0 H LEU A 81 -5.469 5.331 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.610 2.783 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.041 3.333 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.356 3.699 0.233 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.974 1.424 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.967 -0.393 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.845 0.766 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.067 0.807 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.881 0.349 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.940 1.588 0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.973 2.052 1.714 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.077 3.539 -0.580 1.00 0.00 N ATOM 1339 CA GLY A 82 -9.435 3.162 -0.228 1.00 0.00 C ATOM 1340 C GLY A 82 -9.535 2.553 1.157 1.00 0.00 C ATOM 1341 O GLY A 82 -8.810 2.947 2.070 1.00 0.00 O ATOM 0 H GLY A 82 -7.716 4.355 -0.085 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.077 4.042 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.811 2.449 -0.962 1.00 0.00 H new ATOM 1345 N ALA A 83 -10.441 1.590 1.313 1.00 0.00 N ATOM 1346 CA ALA A 83 -10.640 0.924 2.597 1.00 0.00 C ATOM 1347 C ALA A 83 -9.346 0.303 3.111 1.00 0.00 C ATOM 1348 O ALA A 83 -9.193 0.066 4.309 1.00 0.00 O ATOM 1349 CB ALA A 83 -11.725 -0.135 2.478 1.00 0.00 C ATOM 0 H ALA A 83 -11.049 1.254 0.566 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.956 1.677 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.863 -0.624 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.660 0.335 2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.430 -0.876 1.735 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.417 0.051 2.200 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.132 -0.534 2.557 1.00 0.00 C ATOM 1357 C TYR A 84 -6.201 0.538 3.109 1.00 0.00 C ATOM 1358 O TYR A 84 -5.340 0.259 3.943 1.00 0.00 O ATOM 1359 CB TYR A 84 -6.499 -1.213 1.340 1.00 0.00 C ATOM 1360 CG TYR A 84 -5.584 -2.365 1.691 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -4.280 -2.137 2.114 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -6.023 -3.680 1.594 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -3.440 -3.187 2.432 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -5.188 -4.735 1.911 1.00 0.00 C ATOM 1365 CZ TYR A 84 -3.898 -4.483 2.329 1.00 0.00 C ATOM 1366 OH TYR A 84 -3.064 -5.530 2.645 1.00 0.00 O ATOM 0 H TYR A 84 -8.530 0.243 1.205 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.294 -1.287 3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.291 -1.577 0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.934 -0.472 0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.917 -1.123 2.195 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.032 -3.881 1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -2.429 -2.993 2.760 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.544 -5.752 1.832 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.654 -5.369 3.520 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.387 1.773 2.647 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.565 2.870 3.119 1.00 0.00 C ATOM 1378 C GLY A 85 -5.716 3.071 4.609 1.00 0.00 C ATOM 1379 O GLY A 85 -4.759 3.415 5.302 1.00 0.00 O ATOM 0 H GLY A 85 -7.091 2.031 1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.520 2.672 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.843 3.786 2.597 1.00 0.00 H new ATOM 1383 N SER A 86 -6.927 2.834 5.103 1.00 0.00 N ATOM 1384 CA SER A 86 -7.211 2.969 6.522 1.00 0.00 C ATOM 1385 C SER A 86 -6.486 1.883 7.313 1.00 0.00 C ATOM 1386 O SER A 86 -6.368 1.970 8.535 1.00 0.00 O ATOM 1387 CB SER A 86 -8.718 2.886 6.772 1.00 0.00 C ATOM 1388 OG SER A 86 -9.274 4.175 6.967 1.00 0.00 O ATOM 0 H SER A 86 -7.727 2.547 4.538 1.00 0.00 H new ATOM 0 HA SER A 86 -6.854 3.943 6.856 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.204 2.401 5.926 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.911 2.267 7.648 1.00 0.00 H new ATOM 0 HG SER A 86 -10.238 4.095 7.123 1.00 0.00 H new ATOM 1394 N ARG A 87 -5.996 0.860 6.607 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.276 -0.239 7.247 1.00 0.00 C ATOM 1396 C ARG A 87 -4.237 0.294 8.231 1.00 0.00 C ATOM 1397 O ARG A 87 -3.928 -0.350 9.234 1.00 0.00 O ATOM 1398 CB ARG A 87 -4.599 -1.114 6.190 1.00 0.00 C ATOM 1399 CG ARG A 87 -4.002 -2.397 6.745 1.00 0.00 C ATOM 1400 CD ARG A 87 -3.976 -3.495 5.694 1.00 0.00 C ATOM 1401 NE ARG A 87 -3.546 -4.777 6.250 1.00 0.00 N ATOM 1402 CZ ARG A 87 -3.966 -5.962 5.807 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -4.819 -6.039 4.793 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -3.526 -7.075 6.378 1.00 0.00 N ATOM 0 H ARG A 87 -6.086 0.772 5.595 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.995 -0.843 7.800 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.328 -1.367 5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.811 -0.538 5.705 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.989 -2.206 7.099 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.583 -2.728 7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.970 -3.604 5.259 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.304 -3.207 4.886 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.883 -4.764 7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.158 -5.187 4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.135 -6.950 4.461 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.867 -7.024 7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.846 -7.983 6.040 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.712 1.481 7.941 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.718 2.111 8.803 1.00 0.00 C ATOM 1420 C ILE A 88 -3.335 2.473 10.152 1.00 0.00 C ATOM 1421 O ILE A 88 -3.884 3.562 10.320 1.00 0.00 O ATOM 1422 CB ILE A 88 -2.137 3.385 8.153 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.683 3.094 6.721 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.979 3.928 8.979 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -1.989 4.215 5.752 1.00 0.00 C ATOM 0 H ILE A 88 -3.959 2.026 7.115 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.911 1.393 8.949 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.920 4.143 8.121 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.609 2.906 6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.167 2.181 6.373 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.583 4.826 8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.330 4.172 9.982 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.193 3.175 9.043 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.640 3.941 4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.065 4.389 5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.483 5.124 6.076 1.00 0.00 H new ATOM 1437 N VAL A 89 -3.251 1.550 11.106 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.814 1.769 12.433 1.00 0.00 C ATOM 1439 C VAL A 89 -2.829 2.496 13.343 1.00 0.00 C ATOM 1440 O VAL A 89 -1.695 2.056 13.524 1.00 0.00 O ATOM 1441 CB VAL A 89 -4.218 0.434 13.089 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.859 0.666 14.448 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -5.154 -0.345 12.177 1.00 0.00 C ATOM 0 H VAL A 89 -2.799 0.644 10.984 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.700 2.390 12.304 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.315 -0.157 13.242 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.134 -0.292 14.889 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.151 1.176 15.102 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.751 1.281 14.329 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.429 -1.285 12.655 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.052 0.243 11.989 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.652 -0.552 11.232 1.00 0.00 H new ATOM 1453 N THR A 90 -3.275 3.608 13.917 1.00 0.00 N ATOM 1454 CA THR A 90 -2.437 4.396 14.814 1.00 0.00 C ATOM 1455 C THR A 90 -2.853 4.184 16.265 1.00 0.00 C ATOM 1456 O THR A 90 -3.652 4.946 16.811 1.00 0.00 O ATOM 1457 CB THR A 90 -2.526 5.881 14.456 1.00 0.00 C ATOM 1458 OG1 THR A 90 -2.896 6.049 13.099 1.00 0.00 O ATOM 1459 CG2 THR A 90 -1.229 6.628 14.675 1.00 0.00 C ATOM 0 H THR A 90 -4.213 3.984 13.777 1.00 0.00 H new ATOM 0 HA THR A 90 -1.405 4.064 14.697 1.00 0.00 H new ATOM 0 HB THR A 90 -3.281 6.294 15.125 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.949 7.005 12.890 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.361 7.675 14.402 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.943 6.560 15.725 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.447 6.188 14.057 1.00 0.00 H new ATOM 1467 N LEU A 91 -2.308 3.143 16.885 1.00 0.00 N ATOM 1468 CA LEU A 91 -2.625 2.828 18.273 1.00 0.00 C ATOM 1469 C LEU A 91 -1.864 3.741 19.229 1.00 0.00 C ATOM 1470 O LEU A 91 -0.661 3.950 19.078 1.00 0.00 O ATOM 1471 CB LEU A 91 -2.294 1.364 18.574 1.00 0.00 C ATOM 1472 CG LEU A 91 -3.478 0.398 18.472 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -3.406 -0.402 17.180 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -3.514 -0.532 19.676 1.00 0.00 C ATOM 0 H LEU A 91 -1.645 2.503 16.448 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.693 2.990 18.420 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.515 1.034 17.886 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.878 1.301 19.580 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.398 0.982 18.462 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.256 -1.083 17.126 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.431 0.278 16.329 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.479 -0.976 17.158 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.362 -1.211 19.586 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.590 -1.109 19.718 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.616 0.057 20.588 1.00 0.00 H new ATOM 1486 N ARG A 92 -2.574 4.279 20.216 1.00 0.00 N ATOM 1487 CA ARG A 92 -1.964 5.165 21.199 1.00 0.00 C ATOM 1488 C ARG A 92 -1.191 4.364 22.241 1.00 0.00 C ATOM 1489 O ARG A 92 -1.595 4.278 23.401 1.00 0.00 O ATOM 1490 CB ARG A 92 -3.034 6.021 21.881 1.00 0.00 C ATOM 1491 CG ARG A 92 -4.188 5.212 22.450 1.00 0.00 C ATOM 1492 CD ARG A 92 -4.962 6.004 23.492 1.00 0.00 C ATOM 1493 NE ARG A 92 -4.481 5.742 24.847 1.00 0.00 N ATOM 1494 CZ ARG A 92 -4.722 6.539 25.885 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -5.435 7.648 25.728 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -4.248 6.228 27.084 1.00 0.00 N ATOM 0 H ARG A 92 -3.571 4.117 20.355 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.266 5.821 20.680 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.571 6.594 22.685 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.425 6.740 21.161 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.859 4.916 21.644 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.805 4.295 22.898 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.875 7.069 23.276 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -6.020 5.751 23.428 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.929 4.899 25.006 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.801 7.893 24.808 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.617 8.255 26.527 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -3.699 5.378 27.210 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.433 6.839 27.880 1.00 0.00 H new ATOM 1510 N GLY A 93 -0.077 3.775 21.817 1.00 0.00 N ATOM 1511 CA GLY A 93 0.737 2.984 22.720 1.00 0.00 C ATOM 1512 C GLY A 93 1.676 2.051 21.982 1.00 0.00 C ATOM 1513 O GLY A 93 2.810 1.835 22.408 1.00 0.00 O ATOM 0 H GLY A 93 0.276 3.832 20.862 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.318 3.649 23.359 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.088 2.401 23.373 1.00 0.00 H new ATOM 1517 N VAL A 94 1.202 1.500 20.870 1.00 0.00 N ATOM 1518 CA VAL A 94 2.005 0.587 20.066 1.00 0.00 C ATOM 1519 C VAL A 94 2.708 1.333 18.938 1.00 0.00 C ATOM 1520 O VAL A 94 3.904 1.152 18.709 1.00 0.00 O ATOM 1521 CB VAL A 94 1.149 -0.542 19.459 1.00 0.00 C ATOM 1522 CG1 VAL A 94 2.032 -1.685 18.984 1.00 0.00 C ATOM 1523 CG2 VAL A 94 0.118 -1.039 20.463 1.00 0.00 C ATOM 0 H VAL A 94 0.265 1.670 20.505 1.00 0.00 H new ATOM 0 HA VAL A 94 2.745 0.147 20.734 1.00 0.00 H new ATOM 0 HB VAL A 94 0.615 -0.140 18.598 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.410 -2.473 18.559 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.724 -1.319 18.225 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.596 -2.084 19.827 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.474 -1.835 20.012 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.627 -1.421 21.348 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.538 -0.216 20.749 1.00 0.00 H new ATOM 1533 N GLY A 95 1.953 2.172 18.236 1.00 0.00 N ATOM 1534 CA GLY A 95 2.515 2.936 17.138 1.00 0.00 C ATOM 1535 C GLY A 95 1.666 2.858 15.887 1.00 0.00 C ATOM 1536 O GLY A 95 0.593 3.459 15.818 1.00 0.00 O ATOM 0 H GLY A 95 0.961 2.336 18.408 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.618 3.978 17.439 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.517 2.567 16.918 1.00 0.00 H new ATOM 1540 N TYR A 96 2.144 2.116 14.895 1.00 0.00 N ATOM 1541 CA TYR A 96 1.420 1.963 13.640 1.00 0.00 C ATOM 1542 C TYR A 96 1.188 0.489 13.324 1.00 0.00 C ATOM 1543 O TYR A 96 2.124 -0.243 13.004 1.00 0.00 O ATOM 1544 CB TYR A 96 2.190 2.631 12.498 1.00 0.00 C ATOM 1545 CG TYR A 96 1.620 3.967 12.074 1.00 0.00 C ATOM 1546 CD1 TYR A 96 0.247 4.172 12.003 1.00 0.00 C ATOM 1547 CD2 TYR A 96 2.457 5.024 11.745 1.00 0.00 C ATOM 1548 CE1 TYR A 96 -0.273 5.392 11.616 1.00 0.00 C ATOM 1549 CE2 TYR A 96 1.945 6.248 11.358 1.00 0.00 C ATOM 1550 CZ TYR A 96 0.579 6.427 11.295 1.00 0.00 C ATOM 1551 OH TYR A 96 0.065 7.643 10.909 1.00 0.00 O ATOM 0 H TYR A 96 3.029 1.611 14.936 1.00 0.00 H new ATOM 0 HA TYR A 96 0.450 2.449 13.745 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.227 2.770 12.804 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.199 1.961 11.638 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.424 3.364 12.255 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.527 4.888 11.792 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.342 5.534 11.565 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.611 7.060 11.106 1.00 0.00 H new ATOM 0 HH TYR A 96 0.800 8.263 10.719 1.00 0.00 H new ATOM 1561 N LEU A 97 -0.067 0.062 13.415 1.00 0.00 N ATOM 1562 CA LEU A 97 -0.425 -1.323 13.138 1.00 0.00 C ATOM 1563 C LEU A 97 -1.164 -1.433 11.807 1.00 0.00 C ATOM 1564 O LEU A 97 -2.390 -1.360 11.755 1.00 0.00 O ATOM 1565 CB LEU A 97 -1.286 -1.884 14.275 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.619 -3.377 14.180 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -2.820 -3.599 13.277 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -0.418 -4.170 13.680 1.00 0.00 C ATOM 0 H LEU A 97 -0.853 0.656 13.679 1.00 0.00 H new ATOM 0 HA LEU A 97 0.491 -1.910 13.069 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.771 -1.704 15.219 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.220 -1.323 14.310 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.868 -3.734 15.179 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.042 -4.665 13.222 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.682 -3.070 13.682 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.599 -3.222 12.278 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.679 -5.227 13.621 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.131 -3.811 12.692 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.416 -4.040 14.369 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.405 -1.603 10.732 1.00 0.00 N ATOM 1581 CA PHE A 98 -0.981 -1.718 9.397 1.00 0.00 C ATOM 1582 C PHE A 98 -1.593 -3.100 9.185 1.00 0.00 C ATOM 1583 O PHE A 98 -1.073 -3.909 8.416 1.00 0.00 O ATOM 1584 CB PHE A 98 0.089 -1.450 8.338 1.00 0.00 C ATOM 1585 CG PHE A 98 -0.458 -1.324 6.944 1.00 0.00 C ATOM 1586 CD1 PHE A 98 -0.947 -0.112 6.485 1.00 0.00 C ATOM 1587 CD2 PHE A 98 -0.480 -2.418 6.094 1.00 0.00 C ATOM 1588 CE1 PHE A 98 -1.448 0.007 5.202 1.00 0.00 C ATOM 1589 CE2 PHE A 98 -0.981 -2.305 4.811 1.00 0.00 C ATOM 1590 CZ PHE A 98 -1.465 -1.091 4.364 1.00 0.00 C ATOM 0 H PHE A 98 0.613 -1.664 10.758 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.773 -0.975 9.301 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.620 -0.533 8.595 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.820 -2.258 8.360 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.937 0.749 7.136 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.102 -3.369 6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -1.826 0.958 4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.994 -3.165 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.856 -1.000 3.361 1.00 0.00 H new ATOM 1600 N SER A 99 -2.701 -3.365 9.871 1.00 0.00 N ATOM 1601 CA SER A 99 -3.381 -4.652 9.755 1.00 0.00 C ATOM 1602 C SER A 99 -4.882 -4.464 9.559 1.00 0.00 C ATOM 1603 O SER A 99 -5.498 -3.604 10.188 1.00 0.00 O ATOM 1604 CB SER A 99 -3.123 -5.505 10.997 1.00 0.00 C ATOM 1605 OG SER A 99 -3.006 -6.876 10.659 1.00 0.00 O ATOM 0 H SER A 99 -3.146 -2.708 10.512 1.00 0.00 H new ATOM 0 HA SER A 99 -2.980 -5.164 8.880 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.210 -5.169 11.489 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.937 -5.371 11.709 1.00 0.00 H new ATOM 0 HG SER A 99 -2.840 -7.400 11.470 1.00 0.00 H new ATOM 1611 N ASP A 100 -5.463 -5.276 8.682 1.00 0.00 N ATOM 1612 CA ASP A 100 -6.894 -5.202 8.402 1.00 0.00 C ATOM 1613 C ASP A 100 -7.529 -6.588 8.410 1.00 0.00 C ATOM 1614 O ASP A 100 -8.660 -6.764 8.863 1.00 0.00 O ATOM 1615 CB ASP A 100 -7.139 -4.520 7.055 1.00 0.00 C ATOM 1616 CG ASP A 100 -8.192 -3.432 7.140 1.00 0.00 C ATOM 1617 OD1 ASP A 100 -8.099 -2.587 8.056 1.00 0.00 O ATOM 1618 OD2 ASP A 100 -9.108 -3.424 6.292 1.00 0.00 O ATOM 0 H ASP A 100 -4.966 -5.993 8.153 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.359 -4.610 9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -6.205 -4.090 6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.450 -5.267 6.324 1.00 0.00 H new ATOM 1623 N ASP A 101 -6.790 -7.565 7.909 1.00 0.00 N ATOM 1624 CA ASP A 101 -7.267 -8.938 7.856 1.00 0.00 C ATOM 1625 C ASP A 101 -6.103 -9.913 7.709 1.00 0.00 C ATOM 1626 O ASP A 101 -5.808 -10.684 8.623 1.00 0.00 O ATOM 1627 CB ASP A 101 -8.250 -9.118 6.697 1.00 0.00 C ATOM 1628 CG ASP A 101 -9.274 -10.201 6.972 1.00 0.00 C ATOM 1629 OD1 ASP A 101 -8.871 -11.307 7.388 1.00 0.00 O ATOM 1630 OD2 ASP A 101 -10.479 -9.943 6.770 1.00 0.00 O ATOM 0 H ASP A 101 -5.852 -7.431 7.531 1.00 0.00 H new ATOM 0 HA ASP A 101 -7.781 -9.153 8.793 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.764 -8.175 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -7.698 -9.366 5.791 1.00 0.00 H new ATOM 1635 N GLY A 102 -5.443 -9.873 6.556 1.00 0.00 N ATOM 1636 CA GLY A 102 -4.317 -10.757 6.316 1.00 0.00 C ATOM 1637 C GLY A 102 -4.533 -11.664 5.120 1.00 0.00 C ATOM 1638 O GLY A 102 -4.800 -12.856 5.276 1.00 0.00 O ATOM 0 H GLY A 102 -5.667 -9.245 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.419 -10.160 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.143 -11.366 7.203 1.00 0.00 H new ATOM 1642 N ASP A 103 -4.413 -11.100 3.922 1.00 0.00 N ATOM 1643 CA ASP A 103 -4.591 -11.860 2.698 1.00 0.00 C ATOM 1644 C ASP A 103 -3.426 -11.629 1.739 1.00 0.00 C ATOM 1645 O ASP A 103 -3.546 -10.880 0.769 1.00 0.00 O ATOM 1646 CB ASP A 103 -5.915 -11.486 2.027 1.00 0.00 C ATOM 1647 CG ASP A 103 -6.908 -12.632 2.026 1.00 0.00 C ATOM 1648 OD1 ASP A 103 -7.061 -13.285 3.080 1.00 0.00 O ATOM 1649 OD2 ASP A 103 -7.532 -12.877 0.973 1.00 0.00 O ATOM 0 H ASP A 103 -4.192 -10.115 3.777 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.615 -12.919 2.955 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.352 -10.631 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.723 -11.174 1.000 1.00 0.00 H new ATOM 1654 N LYS A 104 -2.299 -12.275 2.019 1.00 0.00 N ATOM 1655 CA LYS A 104 -1.114 -12.145 1.192 1.00 0.00 C ATOM 1656 C LYS A 104 -1.351 -12.725 -0.199 1.00 0.00 C ATOM 1657 O LYS A 104 -1.529 -13.932 -0.356 1.00 0.00 O ATOM 1658 CB LYS A 104 0.062 -12.851 1.862 1.00 0.00 C ATOM 1659 CG LYS A 104 -0.284 -14.215 2.440 1.00 0.00 C ATOM 1660 CD LYS A 104 0.962 -15.050 2.679 1.00 0.00 C ATOM 1661 CE LYS A 104 0.681 -16.534 2.505 1.00 0.00 C ATOM 1662 NZ LYS A 104 1.866 -17.367 2.849 1.00 0.00 N ATOM 0 H LYS A 104 -2.186 -12.897 2.819 1.00 0.00 H new ATOM 0 HA LYS A 104 -0.885 -11.085 1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.864 -12.969 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.447 -12.216 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.823 -14.088 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.951 -14.742 1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.745 -14.743 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.337 -14.865 3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.160 -16.821 3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.387 -16.729 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.634 -18.372 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.662 -17.111 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.132 -17.200 3.841 1.00 0.00 H new ATOM 1676 N LYS A 105 -1.353 -11.855 -1.204 1.00 0.00 N ATOM 1677 CA LYS A 105 -1.569 -12.278 -2.580 1.00 0.00 C ATOM 1678 C LYS A 105 -0.338 -12.987 -3.134 1.00 0.00 C ATOM 1679 O LYS A 105 0.708 -12.370 -3.336 1.00 0.00 O ATOM 1680 CB LYS A 105 -1.916 -11.074 -3.456 1.00 0.00 C ATOM 1681 CG LYS A 105 -3.404 -10.769 -3.509 1.00 0.00 C ATOM 1682 CD LYS A 105 -4.109 -11.616 -4.556 1.00 0.00 C ATOM 1683 CE LYS A 105 -3.575 -11.337 -5.951 1.00 0.00 C ATOM 1684 NZ LYS A 105 -4.657 -11.348 -6.974 1.00 0.00 N ATOM 0 H LYS A 105 -1.207 -10.852 -1.089 1.00 0.00 H new ATOM 0 HA LYS A 105 -2.403 -12.980 -2.590 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -1.387 -10.198 -3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -1.554 -11.255 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.849 -10.952 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.552 -9.713 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.978 -12.672 -4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -5.180 -11.414 -4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.076 -10.368 -5.961 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.825 -12.085 -6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -4.285 -11.724 -7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.440 -11.948 -6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -5.003 -10.379 -7.123 1.00 0.00 H new ATOM 1698 N PHE A 106 -0.470 -14.287 -3.379 1.00 0.00 N ATOM 1699 CA PHE A 106 0.629 -15.080 -3.910 1.00 0.00 C ATOM 1700 C PHE A 106 0.826 -14.810 -5.402 1.00 0.00 C ATOM 1701 O PHE A 106 0.690 -15.709 -6.232 1.00 0.00 O ATOM 1702 CB PHE A 106 0.372 -16.571 -3.666 1.00 0.00 C ATOM 1703 CG PHE A 106 1.358 -17.202 -2.724 1.00 0.00 C ATOM 1704 CD1 PHE A 106 2.543 -17.740 -3.200 1.00 0.00 C ATOM 1705 CD2 PHE A 106 1.099 -17.257 -1.364 1.00 0.00 C ATOM 1706 CE1 PHE A 106 3.452 -18.321 -2.337 1.00 0.00 C ATOM 1707 CE2 PHE A 106 2.005 -17.837 -0.496 1.00 0.00 C ATOM 1708 CZ PHE A 106 3.183 -18.369 -0.983 1.00 0.00 C ATOM 0 H PHE A 106 -1.329 -14.813 -3.217 1.00 0.00 H new ATOM 0 HA PHE A 106 1.542 -14.791 -3.390 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.634 -16.698 -3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.404 -17.098 -4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.758 -17.705 -4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.180 -16.842 -0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.372 -18.737 -2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.792 -17.874 0.562 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.893 -18.822 -0.306 1.00 0.00 H new ATOM 1718 N SER A 107 1.143 -13.563 -5.735 1.00 0.00 N ATOM 1719 CA SER A 107 1.355 -13.173 -7.120 1.00 0.00 C ATOM 1720 C SER A 107 2.726 -13.624 -7.613 1.00 0.00 C ATOM 1721 O SER A 107 3.656 -12.823 -7.711 1.00 0.00 O ATOM 1722 CB SER A 107 1.216 -11.656 -7.271 1.00 0.00 C ATOM 1723 OG SER A 107 -0.057 -11.309 -7.788 1.00 0.00 O ATOM 0 H SER A 107 1.258 -12.806 -5.062 1.00 0.00 H new ATOM 0 HA SER A 107 0.595 -13.663 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.362 -11.176 -6.303 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.996 -11.280 -7.934 1.00 0.00 H new ATOM 0 HG SER A 107 -0.121 -10.335 -7.873 1.00 0.00 H new ATOM 1729 N GLN A 108 2.846 -14.911 -7.923 1.00 0.00 N ATOM 1730 CA GLN A 108 4.104 -15.466 -8.406 1.00 0.00 C ATOM 1731 C GLN A 108 4.514 -14.815 -9.723 1.00 0.00 C ATOM 1732 O GLN A 108 5.575 -14.200 -9.820 1.00 0.00 O ATOM 1733 CB GLN A 108 3.982 -16.981 -8.587 1.00 0.00 C ATOM 1734 CG GLN A 108 5.212 -17.748 -8.131 1.00 0.00 C ATOM 1735 CD GLN A 108 5.050 -18.340 -6.745 1.00 0.00 C ATOM 1736 OE1 GLN A 108 4.576 -19.465 -6.589 1.00 0.00 O ATOM 1737 NE2 GLN A 108 5.443 -17.581 -5.728 1.00 0.00 N ATOM 0 H GLN A 108 2.087 -15.588 -7.848 1.00 0.00 H new ATOM 0 HA GLN A 108 4.874 -15.258 -7.663 1.00 0.00 H new ATOM 0 HB2 GLN A 108 3.115 -17.337 -8.030 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.797 -17.199 -9.639 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.421 -18.548 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 108 6.075 -17.082 -8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 108 5.831 -16.654 -5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 108 5.357 -17.925 -4.772 1.00 0.00 H new ATOM 1746 N GLN A 109 3.663 -14.954 -10.735 1.00 0.00 N ATOM 1747 CA GLN A 109 3.929 -14.381 -12.042 1.00 0.00 C ATOM 1748 C GLN A 109 2.656 -13.798 -12.650 1.00 0.00 C ATOM 1749 O GLN A 109 1.658 -13.604 -11.956 1.00 0.00 O ATOM 1750 CB GLN A 109 4.525 -15.437 -12.976 1.00 0.00 C ATOM 1751 CG GLN A 109 5.627 -14.902 -13.875 1.00 0.00 C ATOM 1752 CD GLN A 109 6.794 -15.861 -14.001 1.00 0.00 C ATOM 1753 OE1 GLN A 109 6.626 -17.077 -13.915 1.00 0.00 O ATOM 1754 NE2 GLN A 109 7.988 -15.316 -14.204 1.00 0.00 N ATOM 0 H GLN A 109 2.781 -15.462 -10.670 1.00 0.00 H new ATOM 0 HA GLN A 109 4.650 -13.573 -11.918 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.922 -16.257 -12.377 1.00 0.00 H new ATOM 0 HB3 GLN A 109 3.730 -15.851 -13.597 1.00 0.00 H new ATOM 0 HG2 GLN A 109 5.218 -14.702 -14.865 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.984 -13.951 -13.479 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.082 -14.302 -14.269 1.00 0.00 H new ATOM 0 HE22 GLN A 109 8.811 -15.911 -14.295 1.00 0.00 H new ATOM 1763 N ASP A 110 2.696 -13.522 -13.950 1.00 0.00 N ATOM 1764 CA ASP A 110 1.544 -12.962 -14.648 1.00 0.00 C ATOM 1765 C ASP A 110 0.726 -14.058 -15.327 1.00 0.00 C ATOM 1766 O ASP A 110 -0.005 -13.796 -16.282 1.00 0.00 O ATOM 1767 CB ASP A 110 2.001 -11.935 -15.685 1.00 0.00 C ATOM 1768 CG ASP A 110 1.079 -10.734 -15.756 1.00 0.00 C ATOM 1769 OD1 ASP A 110 -0.146 -10.934 -15.897 1.00 0.00 O ATOM 1770 OD2 ASP A 110 1.581 -9.594 -15.669 1.00 0.00 O ATOM 0 H ASP A 110 3.513 -13.677 -14.541 1.00 0.00 H new ATOM 0 HA ASP A 110 0.911 -12.469 -13.910 1.00 0.00 H new ATOM 0 HB2 ASP A 110 3.010 -11.601 -15.441 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.050 -12.410 -16.665 1.00 0.00 H new ATOM 1775 N THR A 111 0.852 -15.285 -14.830 1.00 0.00 N ATOM 1776 CA THR A 111 0.123 -16.414 -15.391 1.00 0.00 C ATOM 1777 C THR A 111 -1.368 -16.302 -15.093 1.00 0.00 C ATOM 1778 O THR A 111 -1.785 -16.343 -13.935 1.00 0.00 O ATOM 1779 CB THR A 111 0.669 -17.729 -14.831 1.00 0.00 C ATOM 1780 OG1 THR A 111 2.080 -17.679 -14.720 1.00 0.00 O ATOM 1781 CG2 THR A 111 0.317 -18.932 -15.679 1.00 0.00 C ATOM 0 H THR A 111 1.452 -15.521 -14.040 1.00 0.00 H new ATOM 0 HA THR A 111 0.261 -16.402 -16.472 1.00 0.00 H new ATOM 0 HB THR A 111 0.200 -17.844 -13.854 1.00 0.00 H new ATOM 0 HG1 THR A 111 2.410 -18.528 -14.359 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.734 -19.831 -15.226 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.767 -19.027 -15.743 1.00 0.00 H new ATOM 0 HG23 THR A 111 0.730 -18.805 -16.680 1.00 0.00 H new ATOM 1789 N LYS A 112 -2.169 -16.161 -16.144 1.00 0.00 N ATOM 1790 CA LYS A 112 -3.614 -16.044 -15.993 1.00 0.00 C ATOM 1791 C LYS A 112 -4.191 -17.282 -15.315 1.00 0.00 C ATOM 1792 O LYS A 112 -3.617 -18.368 -15.392 1.00 0.00 O ATOM 1793 CB LYS A 112 -4.277 -15.840 -17.357 1.00 0.00 C ATOM 1794 CG LYS A 112 -3.950 -14.502 -17.998 1.00 0.00 C ATOM 1795 CD LYS A 112 -4.774 -14.270 -19.254 1.00 0.00 C ATOM 1796 CE LYS A 112 -4.656 -12.835 -19.741 1.00 0.00 C ATOM 1797 NZ LYS A 112 -5.398 -12.618 -21.014 1.00 0.00 N ATOM 0 H LYS A 112 -1.842 -16.125 -17.109 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.819 -15.177 -15.365 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.964 -16.641 -18.027 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.358 -15.924 -17.243 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.139 -13.700 -17.285 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.889 -14.466 -18.246 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.442 -14.950 -20.039 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.820 -14.502 -19.052 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.041 -12.159 -18.977 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.605 -12.586 -19.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -5.293 -11.627 -21.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -5.015 -13.244 -21.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.406 -12.831 -20.869 1.00 0.00 H new ATOM 1811 N LEU A 113 -5.329 -17.111 -14.650 1.00 0.00 N ATOM 1812 CA LEU A 113 -5.984 -18.213 -13.957 1.00 0.00 C ATOM 1813 C LEU A 113 -6.455 -19.276 -14.946 1.00 0.00 C ATOM 1814 O LEU A 113 -7.635 -19.336 -15.291 1.00 0.00 O ATOM 1815 CB LEU A 113 -7.170 -17.697 -13.140 1.00 0.00 C ATOM 1816 CG LEU A 113 -6.819 -17.178 -11.745 1.00 0.00 C ATOM 1817 CD1 LEU A 113 -6.189 -15.797 -11.833 1.00 0.00 C ATOM 1818 CD2 LEU A 113 -8.057 -17.147 -10.862 1.00 0.00 C ATOM 0 H LEU A 113 -5.817 -16.218 -14.577 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.258 -18.667 -13.283 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.654 -16.896 -13.698 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -7.899 -18.501 -13.039 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.094 -17.857 -11.296 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.946 -15.444 -10.831 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.279 -15.850 -12.430 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -6.890 -15.106 -12.301 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -7.789 -16.775 -9.873 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.805 -16.490 -11.307 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.466 -18.154 -10.773 1.00 0.00 H new ATOM 1830 N SER A 114 -5.526 -20.111 -15.397 1.00 0.00 N ATOM 1831 CA SER A 114 -5.845 -21.171 -16.345 1.00 0.00 C ATOM 1832 C SER A 114 -6.798 -22.188 -15.724 1.00 0.00 C ATOM 1833 O SER A 114 -6.773 -22.419 -14.515 1.00 0.00 O ATOM 1834 CB SER A 114 -4.566 -21.869 -16.813 1.00 0.00 C ATOM 1835 OG SER A 114 -3.481 -21.582 -15.946 1.00 0.00 O ATOM 0 H SER A 114 -4.545 -20.074 -15.121 1.00 0.00 H new ATOM 0 HA SER A 114 -6.337 -20.718 -17.206 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.729 -22.946 -16.852 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.322 -21.547 -17.825 1.00 0.00 H new ATOM 0 HG SER A 114 -3.074 -20.728 -16.203 1.00 0.00 H new ATOM 1841 N LEU A 115 -7.636 -22.793 -16.559 1.00 0.00 N ATOM 1842 CA LEU A 115 -8.594 -23.781 -16.103 1.00 0.00 C ATOM 1843 C LEU A 115 -7.892 -24.960 -15.436 1.00 0.00 C ATOM 1844 O LEU A 115 -6.807 -25.366 -15.853 1.00 0.00 O ATOM 1845 CB LEU A 115 -9.424 -24.265 -17.288 1.00 0.00 C ATOM 1846 CG LEU A 115 -8.618 -24.772 -18.486 1.00 0.00 C ATOM 1847 CD1 LEU A 115 -8.206 -26.221 -18.277 1.00 0.00 C ATOM 1848 CD2 LEU A 115 -9.422 -24.624 -19.769 1.00 0.00 C ATOM 0 H LEU A 115 -7.667 -22.611 -17.562 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.247 -23.319 -15.363 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.081 -25.065 -16.948 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.064 -23.448 -17.621 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.715 -24.168 -18.575 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.634 -26.565 -19.139 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.592 -26.299 -17.380 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -9.096 -26.840 -18.163 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.834 -24.989 -20.611 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.342 -25.203 -19.691 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -9.667 -23.573 -19.926 1.00 0.00 H new ATOM 1860 N GLU A 116 -8.518 -25.504 -14.398 1.00 0.00 N ATOM 1861 CA GLU A 116 -7.953 -26.637 -13.673 1.00 0.00 C ATOM 1862 C GLU A 116 -8.667 -27.932 -14.046 1.00 0.00 C ATOM 1863 O GLU A 116 -7.974 -28.901 -14.423 1.00 0.00 O ATOM 1864 CB GLU A 116 -8.052 -26.404 -12.164 1.00 0.00 C ATOM 1865 CG GLU A 116 -6.924 -27.049 -11.374 1.00 0.00 C ATOM 1866 CD GLU A 116 -5.931 -26.034 -10.840 1.00 0.00 C ATOM 1867 OE1 GLU A 116 -6.372 -24.973 -10.351 1.00 0.00 O ATOM 1868 OE2 GLU A 116 -4.713 -26.301 -10.912 1.00 0.00 O ATOM 0 H GLU A 116 -9.416 -25.179 -14.040 1.00 0.00 H new ATOM 0 HA GLU A 116 -6.903 -26.728 -13.952 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -8.054 -25.331 -11.970 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.005 -26.794 -11.806 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.345 -27.613 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.401 -27.763 -12.011 1.00 0.00 H new TER 1875 GLU A 116