USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 642 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 6 LYS NZ :NH3+ -115:sc= 2.07 (180deg=0.102) USER MOD Set 1.2: A 39 SER OG : rot 33:sc= 1.74 USER MOD Set 2.1: A 14 LYS NZ :NH3+ -108:sc= 0.264 (180deg=0.151) USER MOD Set 2.2: A 24 SER OG : rot -139:sc= 0.243 USER MOD Set 2.3: A 44 SER OG : rot 180:sc= 0.487 USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.253 K(o=-0.25,f=-4.2!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0.647 K(o=0.65,f=-0.91) USER MOD Single : A 7 SER OG : rot 23:sc= 0.7 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00302 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 2.16 (180deg=2.15) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -109:sc= 0.798 (180deg=0.295) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc=-0.00434 X(o=-0.0043,f=-0.0039) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -119:sc= 1.19 (180deg=-0.319) USER MOD Single : A 51 LYS NZ :NH3+ 143:sc= 0.22 (180deg=-0.071) USER MOD Single : A 59 THR OG1 : rot 163:sc= 0.521 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 137:sc= 1.26 (180deg=0.778) USER MOD Single : A 68 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.866) USER MOD Single : A 69 HIS : no HE2:sc= 0.0116 X(o=0.012,f=-0.35) USER MOD Single : A 73 LYS NZ :NH3+ 160:sc= 0.565 (180deg=0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -14.502 13.806 -0.917 1.00 0.00 N ATOM 2 CA PHE A 1 -13.569 14.385 -1.912 1.00 0.00 C ATOM 3 C PHE A 1 -12.301 13.505 -2.163 1.00 0.00 C ATOM 4 O PHE A 1 -11.998 12.547 -1.447 1.00 0.00 O ATOM 5 CB PHE A 1 -13.228 15.849 -1.512 1.00 0.00 C ATOM 6 CG PHE A 1 -14.171 16.895 -2.141 1.00 0.00 C ATOM 7 CD1 PHE A 1 -14.036 17.243 -3.498 1.00 0.00 C ATOM 8 CD2 PHE A 1 -15.164 17.534 -1.379 1.00 0.00 C ATOM 9 CE1 PHE A 1 -14.880 18.189 -4.079 1.00 0.00 C ATOM 10 CE2 PHE A 1 -16.005 18.485 -1.962 1.00 0.00 C ATOM 11 CZ PHE A 1 -15.865 18.806 -3.311 1.00 0.00 C ATOM 0 H1 PHE A 1 -15.319 14.438 -0.798 1.00 0.00 H new ATOM 0 H2 PHE A 1 -14.829 12.876 -1.248 1.00 0.00 H new ATOM 0 H3 PHE A 1 -14.013 13.697 -0.005 1.00 0.00 H new ATOM 0 HA PHE A 1 -14.073 14.401 -2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -13.270 15.940 -0.427 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -12.203 16.069 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -13.270 16.772 -4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -15.278 17.288 -0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -14.770 18.443 -5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -16.764 18.972 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 1 -16.522 19.535 -3.762 1.00 0.00 H new ATOM 22 N ASN A 2 -11.554 13.851 -3.227 1.00 0.00 N ATOM 23 CA ASN A 2 -10.303 13.137 -3.612 1.00 0.00 C ATOM 24 C ASN A 2 -9.107 13.249 -2.609 1.00 0.00 C ATOM 25 O ASN A 2 -8.356 12.282 -2.452 1.00 0.00 O ATOM 26 CB ASN A 2 -9.910 13.685 -5.014 1.00 0.00 C ATOM 27 CG ASN A 2 -8.816 12.908 -5.748 1.00 0.00 C ATOM 28 OD1 ASN A 2 -8.272 11.910 -5.290 1.00 0.00 O ATOM 29 ND2 ASN A 2 -8.438 13.341 -6.926 1.00 0.00 N ATOM 0 H ASN A 2 -11.790 14.626 -3.846 1.00 0.00 H new ATOM 0 HA ASN A 2 -10.514 12.068 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.802 13.700 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.582 14.718 -4.901 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -7.707 12.849 -7.439 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -8.875 14.170 -7.329 1.00 0.00 H new ATOM 36 N VAL A 3 -8.906 14.421 -1.990 1.00 0.00 N ATOM 37 CA VAL A 3 -7.770 14.657 -1.057 1.00 0.00 C ATOM 38 C VAL A 3 -7.886 13.835 0.259 1.00 0.00 C ATOM 39 O VAL A 3 -8.790 14.049 1.070 1.00 0.00 O ATOM 40 CB VAL A 3 -7.502 16.180 -0.890 1.00 0.00 C ATOM 41 CG1 VAL A 3 -8.576 16.986 -0.148 1.00 0.00 C ATOM 42 CG2 VAL A 3 -6.134 16.437 -0.220 1.00 0.00 C ATOM 0 H VAL A 3 -9.514 15.231 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.860 14.257 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.519 16.544 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.275 18.032 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.523 16.907 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.694 16.592 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.975 17.510 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.118 15.972 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.342 16.011 -0.835 1.00 0.00 H new ATOM 52 N LYS A 4 -6.993 12.844 0.418 1.00 0.00 N ATOM 53 CA LYS A 4 -7.109 11.829 1.496 1.00 0.00 C ATOM 54 C LYS A 4 -5.695 11.297 1.879 1.00 0.00 C ATOM 55 O LYS A 4 -4.961 10.781 1.025 1.00 0.00 O ATOM 56 CB LYS A 4 -8.047 10.689 0.997 1.00 0.00 C ATOM 57 CG LYS A 4 -8.672 9.875 2.147 1.00 0.00 C ATOM 58 CD LYS A 4 -9.606 8.772 1.610 1.00 0.00 C ATOM 59 CE LYS A 4 -10.477 8.097 2.690 1.00 0.00 C ATOM 60 NZ LYS A 4 -9.669 7.314 3.666 1.00 0.00 N ATOM 0 H LYS A 4 -6.179 12.718 -0.184 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.540 12.267 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.843 11.121 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.482 10.018 0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.882 9.425 2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.232 10.541 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.258 9.203 0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.003 8.009 1.117 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.046 8.859 3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.200 7.438 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.300 6.881 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.146 6.568 3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.996 7.946 4.146 1.00 0.00 H new ATOM 74 N GLN A 5 -5.336 11.404 3.165 1.00 0.00 N ATOM 75 CA GLN A 5 -3.997 10.995 3.677 1.00 0.00 C ATOM 76 C GLN A 5 -3.691 9.458 3.590 1.00 0.00 C ATOM 77 O GLN A 5 -4.544 8.630 3.250 1.00 0.00 O ATOM 78 CB GLN A 5 -3.861 11.551 5.123 1.00 0.00 C ATOM 79 CG GLN A 5 -3.390 13.023 5.221 1.00 0.00 C ATOM 80 CD GLN A 5 -4.373 14.102 4.782 1.00 0.00 C ATOM 81 OE1 GLN A 5 -5.589 13.933 4.765 1.00 0.00 O ATOM 82 NE2 GLN A 5 -3.888 15.261 4.413 1.00 0.00 N ATOM 0 H GLN A 5 -5.954 11.774 3.887 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.238 11.423 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.826 11.461 5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.158 10.924 5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.113 13.220 6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.485 13.128 4.623 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.880 15.418 4.421 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -4.518 16.007 4.117 1.00 0.00 H new ATOM 91 N LYS A 6 -2.419 9.109 3.813 1.00 0.00 N ATOM 92 CA LYS A 6 -1.846 7.805 3.406 1.00 0.00 C ATOM 93 C LYS A 6 -2.125 6.636 4.415 1.00 0.00 C ATOM 94 O LYS A 6 -2.222 6.838 5.629 1.00 0.00 O ATOM 95 CB LYS A 6 -0.319 7.961 3.187 1.00 0.00 C ATOM 96 CG LYS A 6 0.223 9.115 2.337 1.00 0.00 C ATOM 97 CD LYS A 6 -0.117 9.267 0.860 1.00 0.00 C ATOM 98 CE LYS A 6 -1.552 9.627 0.488 1.00 0.00 C ATOM 99 NZ LYS A 6 -1.571 9.949 -0.959 1.00 0.00 N ATOM 0 H LYS A 6 -1.750 9.719 4.282 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.347 7.524 2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.142 8.040 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.040 7.034 2.740 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.089 10.038 2.826 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.310 9.070 2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.538 10.033 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.132 8.330 0.362 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.224 8.796 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.898 10.478 1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.817 10.951 -1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.632 9.768 -1.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.277 9.354 -1.438 1.00 0.00 H new ATOM 113 N SER A 7 -2.230 5.419 3.866 1.00 0.00 N ATOM 114 CA SER A 7 -2.454 4.176 4.643 1.00 0.00 C ATOM 115 C SER A 7 -1.332 3.155 4.307 1.00 0.00 C ATOM 116 O SER A 7 -1.193 2.788 3.135 1.00 0.00 O ATOM 117 CB SER A 7 -3.812 3.525 4.224 1.00 0.00 C ATOM 118 OG SER A 7 -3.877 3.188 2.827 1.00 0.00 O ATOM 0 H SER A 7 -2.162 5.260 2.861 1.00 0.00 H new ATOM 0 HA SER A 7 -2.459 4.424 5.704 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.972 2.624 4.815 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.624 4.211 4.463 1.00 0.00 H new ATOM 0 HG SER A 7 -2.969 3.091 2.471 1.00 0.00 H new ATOM 124 N GLU A 8 -0.586 2.682 5.305 1.00 0.00 N ATOM 125 CA GLU A 8 0.495 1.686 5.085 1.00 0.00 C ATOM 126 C GLU A 8 0.167 0.428 5.944 1.00 0.00 C ATOM 127 O GLU A 8 0.412 0.420 7.154 1.00 0.00 O ATOM 128 CB GLU A 8 1.877 2.316 5.402 1.00 0.00 C ATOM 129 CG GLU A 8 2.255 3.510 4.488 1.00 0.00 C ATOM 130 CD GLU A 8 3.725 3.882 4.494 1.00 0.00 C ATOM 131 OE1 GLU A 8 4.192 4.514 5.466 1.00 0.00 O ATOM 132 OE2 GLU A 8 4.435 3.568 3.513 1.00 0.00 O ATOM 0 H GLU A 8 -0.700 2.964 6.278 1.00 0.00 H new ATOM 0 HA GLU A 8 0.549 1.376 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.882 2.651 6.439 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.644 1.547 5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.960 3.273 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.674 4.380 4.794 1.00 0.00 H new ATOM 139 N ILE A 9 -0.475 -0.594 5.343 1.00 0.00 N ATOM 140 CA ILE A 9 -1.118 -1.703 6.114 1.00 0.00 C ATOM 141 C ILE A 9 -0.332 -3.038 5.863 1.00 0.00 C ATOM 142 O ILE A 9 0.136 -3.345 4.760 1.00 0.00 O ATOM 143 CB ILE A 9 -2.656 -1.827 5.799 1.00 0.00 C ATOM 144 CG1 ILE A 9 -3.442 -0.522 6.099 1.00 0.00 C ATOM 145 CG2 ILE A 9 -3.316 -3.002 6.565 1.00 0.00 C ATOM 146 CD1 ILE A 9 -4.783 -0.394 5.368 1.00 0.00 C ATOM 0 H ILE A 9 -0.568 -0.684 4.331 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.062 -1.474 7.178 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.710 -2.022 4.728 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.623 -0.463 7.172 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.817 0.331 5.833 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.376 -3.048 6.317 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.835 -3.938 6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.201 -2.847 7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.258 0.549 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.614 -0.417 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.432 -1.222 5.651 1.00 0.00 H new ATOM 158 N THR A 10 -0.245 -3.826 6.940 1.00 0.00 N ATOM 159 CA THR A 10 0.651 -4.999 7.049 1.00 0.00 C ATOM 160 C THR A 10 0.329 -6.239 6.160 1.00 0.00 C ATOM 161 O THR A 10 -0.732 -6.353 5.536 1.00 0.00 O ATOM 162 CB THR A 10 0.777 -5.324 8.576 1.00 0.00 C ATOM 163 OG1 THR A 10 1.930 -6.126 8.817 1.00 0.00 O ATOM 164 CG2 THR A 10 -0.405 -6.050 9.213 1.00 0.00 C ATOM 0 H THR A 10 -0.803 -3.670 7.780 1.00 0.00 H new ATOM 0 HA THR A 10 1.612 -4.723 6.614 1.00 0.00 H new ATOM 0 HB THR A 10 0.831 -4.338 9.037 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.999 -6.321 9.775 1.00 0.00 H new ATOM 0 HG21 THR A 10 -0.201 -6.219 10.270 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.304 -5.442 9.110 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.555 -7.008 8.715 1.00 0.00 H new ATOM 172 N ALA A 11 1.287 -7.176 6.133 1.00 0.00 N ATOM 173 CA ALA A 11 1.208 -8.411 5.340 1.00 0.00 C ATOM 174 C ALA A 11 0.240 -9.492 5.886 1.00 0.00 C ATOM 175 O ALA A 11 0.383 -9.973 7.012 1.00 0.00 O ATOM 176 CB ALA A 11 2.650 -8.923 5.198 1.00 0.00 C ATOM 0 H ALA A 11 2.151 -7.096 6.669 1.00 0.00 H new ATOM 0 HA ALA A 11 0.763 -8.181 4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.653 -9.844 4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.255 -8.171 4.692 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.066 -9.118 6.186 1.00 0.00 H new ATOM 182 N LEU A 12 -0.732 -9.874 5.049 1.00 0.00 N ATOM 183 CA LEU A 12 -1.739 -10.911 5.364 1.00 0.00 C ATOM 184 C LEU A 12 -1.341 -12.290 4.743 1.00 0.00 C ATOM 185 O LEU A 12 -0.845 -12.383 3.614 1.00 0.00 O ATOM 186 CB LEU A 12 -3.102 -10.420 4.786 1.00 0.00 C ATOM 187 CG LEU A 12 -4.078 -9.722 5.760 1.00 0.00 C ATOM 188 CD1 LEU A 12 -4.758 -10.738 6.692 1.00 0.00 C ATOM 189 CD2 LEU A 12 -3.474 -8.594 6.601 1.00 0.00 C ATOM 0 H LEU A 12 -0.848 -9.470 4.120 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.806 -11.058 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.892 -9.731 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.614 -11.280 4.355 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.809 -9.251 5.102 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.438 -10.216 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.318 -11.459 6.097 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.000 -11.260 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.242 -8.172 7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.662 -8.990 7.211 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.088 -7.816 5.943 1.00 0.00 H new ATOM 201 N VAL A 13 -1.629 -13.351 5.499 1.00 0.00 N ATOM 202 CA VAL A 13 -1.424 -14.760 5.076 1.00 0.00 C ATOM 203 C VAL A 13 -2.339 -15.189 3.874 1.00 0.00 C ATOM 204 O VAL A 13 -3.531 -14.874 3.841 1.00 0.00 O ATOM 205 CB VAL A 13 -1.598 -15.734 6.285 1.00 0.00 C ATOM 206 CG1 VAL A 13 -0.471 -15.602 7.331 1.00 0.00 C ATOM 207 CG2 VAL A 13 -2.954 -15.679 7.017 1.00 0.00 C ATOM 0 H VAL A 13 -2.018 -13.267 6.438 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.398 -14.824 4.714 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.549 -16.705 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.647 -16.304 8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.488 -15.823 6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.457 -14.585 7.724 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.955 -16.399 7.836 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.112 -14.677 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.755 -15.923 6.319 1.00 0.00 H new ATOM 217 N LYS A 14 -1.766 -15.880 2.875 1.00 0.00 N ATOM 218 CA LYS A 14 -2.356 -15.908 1.504 1.00 0.00 C ATOM 219 C LYS A 14 -3.663 -16.753 1.352 1.00 0.00 C ATOM 220 O LYS A 14 -3.872 -17.789 1.994 1.00 0.00 O ATOM 221 CB LYS A 14 -1.229 -16.361 0.539 1.00 0.00 C ATOM 222 CG LYS A 14 -1.501 -16.224 -0.975 1.00 0.00 C ATOM 223 CD LYS A 14 -1.655 -14.776 -1.474 1.00 0.00 C ATOM 224 CE LYS A 14 -1.973 -14.717 -2.978 1.00 0.00 C ATOM 225 NZ LYS A 14 -2.127 -13.293 -3.391 1.00 0.00 N ATOM 0 H LYS A 14 -0.908 -16.422 2.976 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.708 -14.906 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.332 -15.789 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.004 -17.407 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.685 -16.697 -1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.409 -16.776 -1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.450 -14.282 -0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.736 -14.224 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.174 -15.190 -3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.888 -15.271 -3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.130 -13.093 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.788 -12.672 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.571 -13.119 -4.252 1.00 0.00 H new ATOM 239 N GLU A 15 -4.520 -16.271 0.451 1.00 0.00 N ATOM 240 CA GLU A 15 -5.912 -16.739 0.272 1.00 0.00 C ATOM 241 C GLU A 15 -5.951 -18.022 -0.620 1.00 0.00 C ATOM 242 O GLU A 15 -5.533 -17.999 -1.781 1.00 0.00 O ATOM 243 CB GLU A 15 -6.714 -15.574 -0.391 1.00 0.00 C ATOM 244 CG GLU A 15 -6.760 -14.219 0.359 1.00 0.00 C ATOM 245 CD GLU A 15 -5.492 -13.365 0.367 1.00 0.00 C ATOM 246 OE1 GLU A 15 -4.658 -13.475 -0.562 1.00 0.00 O ATOM 247 OE2 GLU A 15 -5.301 -12.605 1.338 1.00 0.00 O ATOM 0 H GLU A 15 -4.267 -15.524 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.354 -17.004 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.293 -15.396 -1.381 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.740 -15.912 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.562 -13.623 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.036 -14.419 1.394 1.00 0.00 H new ATOM 254 N VAL A 16 -6.387 -19.152 -0.046 1.00 0.00 N ATOM 255 CA VAL A 16 -6.340 -20.483 -0.735 1.00 0.00 C ATOM 256 C VAL A 16 -7.556 -21.343 -0.205 1.00 0.00 C ATOM 257 O VAL A 16 -7.823 -21.347 1.001 1.00 0.00 O ATOM 258 CB VAL A 16 -5.000 -21.287 -0.525 1.00 0.00 C ATOM 259 CG1 VAL A 16 -4.776 -22.312 -1.672 1.00 0.00 C ATOM 260 CG2 VAL A 16 -3.691 -20.465 -0.472 1.00 0.00 C ATOM 0 H VAL A 16 -6.780 -19.188 0.895 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.397 -20.291 -1.806 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.165 -21.734 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.845 -22.852 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.606 -23.018 -1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.720 -21.785 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.845 -21.137 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.564 -19.923 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.740 -19.756 0.354 1.00 0.00 H new ATOM 270 N THR A 17 -8.262 -22.061 -1.099 1.00 0.00 N ATOM 271 CA THR A 17 -9.511 -22.824 -0.756 1.00 0.00 C ATOM 272 C THR A 17 -9.409 -23.871 0.408 1.00 0.00 C ATOM 273 O THR A 17 -10.258 -23.763 1.300 1.00 0.00 O ATOM 274 CB THR A 17 -10.141 -23.419 -2.061 1.00 0.00 C ATOM 275 OG1 THR A 17 -10.387 -22.383 -3.009 1.00 0.00 O ATOM 276 CG2 THR A 17 -11.493 -24.104 -1.864 1.00 0.00 C ATOM 0 H THR A 17 -7.996 -22.138 -2.081 1.00 0.00 H new ATOM 0 HA THR A 17 -10.185 -22.087 -0.320 1.00 0.00 H new ATOM 0 HB THR A 17 -9.409 -24.155 -2.393 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.779 -22.768 -3.820 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.851 -24.485 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.383 -24.931 -1.163 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.211 -23.386 -1.468 1.00 0.00 H new ATOM 284 N PRO A 18 -8.469 -24.855 0.496 1.00 0.00 N ATOM 285 CA PRO A 18 -8.281 -25.662 1.746 1.00 0.00 C ATOM 286 C PRO A 18 -7.541 -24.890 2.892 1.00 0.00 C ATOM 287 O PRO A 18 -6.891 -23.879 2.600 1.00 0.00 O ATOM 288 CB PRO A 18 -7.465 -26.856 1.182 1.00 0.00 C ATOM 289 CG PRO A 18 -6.552 -26.235 0.099 1.00 0.00 C ATOM 290 CD PRO A 18 -7.390 -25.083 -0.489 1.00 0.00 C ATOM 0 HA PRO A 18 -9.211 -25.941 2.242 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.879 -27.339 1.964 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.120 -27.617 0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.618 -25.870 0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.288 -26.966 -0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.786 -24.186 -0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.796 -25.348 -1.465 1.00 0.00 H new ATOM 298 N PRO A 19 -7.563 -25.314 4.187 1.00 0.00 N ATOM 299 CA PRO A 19 -6.877 -24.560 5.303 1.00 0.00 C ATOM 300 C PRO A 19 -5.317 -24.599 5.286 1.00 0.00 C ATOM 301 O PRO A 19 -4.662 -25.249 6.103 1.00 0.00 O ATOM 302 CB PRO A 19 -7.512 -25.220 6.561 1.00 0.00 C ATOM 303 CG PRO A 19 -7.848 -26.660 6.103 1.00 0.00 C ATOM 304 CD PRO A 19 -8.384 -26.442 4.678 1.00 0.00 C ATOM 0 HA PRO A 19 -7.033 -23.483 5.236 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.820 -25.221 7.403 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.406 -24.686 6.883 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.968 -27.304 6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.591 -27.128 6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.261 -27.331 4.059 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.446 -26.199 4.679 1.00 0.00 H new ATOM 312 N ARG A 20 -4.744 -23.854 4.331 1.00 0.00 N ATOM 313 CA ARG A 20 -3.286 -23.860 4.051 1.00 0.00 C ATOM 314 C ARG A 20 -2.834 -22.399 3.770 1.00 0.00 C ATOM 315 O ARG A 20 -3.277 -21.769 2.802 1.00 0.00 O ATOM 316 CB ARG A 20 -3.033 -24.806 2.849 1.00 0.00 C ATOM 317 CG ARG A 20 -1.545 -25.161 2.643 1.00 0.00 C ATOM 318 CD ARG A 20 -1.371 -26.205 1.528 1.00 0.00 C ATOM 319 NE ARG A 20 0.065 -26.557 1.373 1.00 0.00 N ATOM 320 CZ ARG A 20 0.864 -26.168 0.382 1.00 0.00 C ATOM 321 NH1 ARG A 20 0.498 -25.360 -0.580 1.00 0.00 N ATOM 322 NH2 ARG A 20 2.084 -26.618 0.366 1.00 0.00 N ATOM 0 H ARG A 20 -5.272 -23.226 3.725 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.704 -24.227 4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.600 -25.725 2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.415 -24.337 1.942 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.985 -24.260 2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.128 -25.546 3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.949 -27.099 1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.760 -25.813 0.588 1.00 0.00 H new ATOM 0 HE ARG A 20 0.476 -27.152 2.093 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.452 -24.988 -0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.162 -25.102 -1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.404 -27.250 1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.721 -26.339 -0.380 1.00 0.00 H new ATOM 336 N LYS A 21 -1.994 -21.847 4.652 1.00 0.00 N ATOM 337 CA LYS A 21 -1.689 -20.391 4.660 1.00 0.00 C ATOM 338 C LYS A 21 -0.175 -20.140 4.399 1.00 0.00 C ATOM 339 O LYS A 21 0.644 -20.144 5.323 1.00 0.00 O ATOM 340 CB LYS A 21 -2.147 -19.808 6.022 1.00 0.00 C ATOM 341 CG LYS A 21 -3.668 -19.757 6.258 1.00 0.00 C ATOM 342 CD LYS A 21 -4.440 -18.716 5.427 1.00 0.00 C ATOM 343 CE LYS A 21 -5.645 -19.283 4.650 1.00 0.00 C ATOM 344 NZ LYS A 21 -5.235 -19.783 3.308 1.00 0.00 N ATOM 0 H LYS A 21 -1.507 -22.377 5.375 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.227 -19.888 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.696 -20.400 6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.751 -18.797 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.083 -20.743 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.846 -19.556 7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.792 -17.927 6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.753 -18.253 4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.099 -20.094 5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.404 -18.509 4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.034 -20.279 2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.950 -18.981 2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.434 -20.439 3.412 1.00 0.00 H new ATOM 358 N ALA A 22 0.182 -19.882 3.131 1.00 0.00 N ATOM 359 CA ALA A 22 1.567 -19.505 2.758 1.00 0.00 C ATOM 360 C ALA A 22 1.956 -18.034 3.153 1.00 0.00 C ATOM 361 O ALA A 22 1.115 -17.141 2.980 1.00 0.00 O ATOM 362 CB ALA A 22 1.688 -19.686 1.232 1.00 0.00 C ATOM 0 H ALA A 22 -0.464 -19.926 2.343 1.00 0.00 H new ATOM 0 HA ALA A 22 2.256 -20.144 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.695 -19.419 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.489 -20.726 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.966 -19.042 0.731 1.00 0.00 H new ATOM 368 N PRO A 23 3.199 -17.719 3.624 1.00 0.00 N ATOM 369 CA PRO A 23 3.600 -16.309 3.946 1.00 0.00 C ATOM 370 C PRO A 23 3.944 -15.458 2.692 1.00 0.00 C ATOM 371 O PRO A 23 5.103 -15.270 2.302 1.00 0.00 O ATOM 372 CB PRO A 23 4.788 -16.532 4.922 1.00 0.00 C ATOM 373 CG PRO A 23 5.437 -17.845 4.430 1.00 0.00 C ATOM 374 CD PRO A 23 4.224 -18.708 4.033 1.00 0.00 C ATOM 0 HA PRO A 23 2.799 -15.713 4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.493 -15.702 4.888 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.446 -16.618 5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.103 -17.673 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.030 -18.319 5.212 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.469 -19.390 3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 23 3.879 -19.319 4.867 1.00 0.00 H new ATOM 382 N SER A 24 2.886 -14.916 2.081 1.00 0.00 N ATOM 383 CA SER A 24 2.993 -13.946 0.972 1.00 0.00 C ATOM 384 C SER A 24 3.360 -12.528 1.472 1.00 0.00 C ATOM 385 O SER A 24 2.897 -12.053 2.516 1.00 0.00 O ATOM 386 CB SER A 24 1.635 -13.955 0.231 1.00 0.00 C ATOM 387 OG SER A 24 1.565 -12.993 -0.823 1.00 0.00 O ATOM 0 H SER A 24 1.924 -15.135 2.339 1.00 0.00 H new ATOM 0 HA SER A 24 3.800 -14.233 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.459 -14.949 -0.180 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.836 -13.760 0.947 1.00 0.00 H new ATOM 0 HG SER A 24 0.683 -12.567 -0.819 1.00 0.00 H new ATOM 393 N LYS A 25 4.196 -11.839 0.687 1.00 0.00 N ATOM 394 CA LYS A 25 4.615 -10.456 1.005 1.00 0.00 C ATOM 395 C LYS A 25 3.505 -9.464 0.523 1.00 0.00 C ATOM 396 O LYS A 25 3.450 -9.090 -0.652 1.00 0.00 O ATOM 397 CB LYS A 25 5.996 -10.139 0.382 1.00 0.00 C ATOM 398 CG LYS A 25 7.225 -10.781 1.051 1.00 0.00 C ATOM 399 CD LYS A 25 7.441 -12.297 0.920 1.00 0.00 C ATOM 400 CE LYS A 25 7.805 -12.785 -0.489 1.00 0.00 C ATOM 401 NZ LYS A 25 7.948 -14.271 -0.465 1.00 0.00 N ATOM 0 H LYS A 25 4.599 -12.210 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 25 4.732 -10.344 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.977 -10.450 -0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.132 -9.057 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.111 -10.287 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.180 -10.546 2.114 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.233 -12.596 1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.532 -12.807 1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.033 -12.492 -1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.735 -12.322 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.195 -14.611 -1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.699 -14.537 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.050 -14.701 -0.166 1.00 0.00 H new ATOM 415 N ALA A 26 2.606 -9.104 1.452 1.00 0.00 N ATOM 416 CA ALA A 26 1.436 -8.250 1.165 1.00 0.00 C ATOM 417 C ALA A 26 1.651 -6.818 1.700 1.00 0.00 C ATOM 418 O ALA A 26 1.915 -6.613 2.886 1.00 0.00 O ATOM 419 CB ALA A 26 0.195 -8.963 1.704 1.00 0.00 C ATOM 0 H ALA A 26 2.667 -9.396 2.427 1.00 0.00 H new ATOM 0 HA ALA A 26 1.292 -8.110 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.688 -8.355 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.088 -9.929 1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.299 -9.113 2.779 1.00 0.00 H new ATOM 425 N LYS A 27 1.596 -5.824 0.808 1.00 0.00 N ATOM 426 CA LYS A 27 1.910 -4.418 1.163 1.00 0.00 C ATOM 427 C LYS A 27 0.843 -3.470 0.527 1.00 0.00 C ATOM 428 O LYS A 27 0.716 -3.369 -0.702 1.00 0.00 O ATOM 429 CB LYS A 27 3.339 -4.060 0.693 1.00 0.00 C ATOM 430 CG LYS A 27 4.448 -4.239 1.750 1.00 0.00 C ATOM 431 CD LYS A 27 5.088 -5.630 1.826 1.00 0.00 C ATOM 432 CE LYS A 27 5.249 -6.196 3.251 1.00 0.00 C ATOM 433 NZ LYS A 27 6.188 -5.376 4.075 1.00 0.00 N ATOM 0 H LYS A 27 1.337 -5.958 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 27 1.876 -4.293 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.583 -4.676 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.344 -3.023 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.234 -3.510 1.550 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.032 -3.999 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.484 -6.324 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.070 -5.588 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.275 -6.232 3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.616 -7.221 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.268 -5.790 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.125 -5.362 3.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.826 -4.404 4.151 1.00 0.00 H new ATOM 447 N ARG A 28 0.089 -2.789 1.397 1.00 0.00 N ATOM 448 CA ARG A 28 -0.982 -1.852 0.986 1.00 0.00 C ATOM 449 C ARG A 28 -0.511 -0.400 1.340 1.00 0.00 C ATOM 450 O ARG A 28 -0.714 0.051 2.470 1.00 0.00 O ATOM 451 CB ARG A 28 -2.274 -2.172 1.779 1.00 0.00 C ATOM 452 CG ARG A 28 -2.872 -3.574 1.636 1.00 0.00 C ATOM 453 CD ARG A 28 -3.982 -3.806 2.677 1.00 0.00 C ATOM 454 NE ARG A 28 -4.657 -5.109 2.448 1.00 0.00 N ATOM 455 CZ ARG A 28 -4.246 -6.284 2.923 1.00 0.00 C ATOM 456 NH1 ARG A 28 -3.167 -6.441 3.648 1.00 0.00 N ATOM 457 NH2 ARG A 28 -4.954 -7.341 2.648 1.00 0.00 N ATOM 0 H ARG A 28 0.198 -2.867 2.408 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.182 -1.944 -0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.069 -2.002 2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.036 -1.451 1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.277 -3.700 0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.089 -4.322 1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.556 -3.783 3.680 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.712 -2.999 2.622 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.505 -5.104 1.881 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.586 -5.635 3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.907 -7.369 3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.799 -7.256 2.083 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.664 -8.254 2.998 1.00 0.00 H new ATOM 471 N GLU A 29 0.134 0.289 0.394 1.00 0.00 N ATOM 472 CA GLU A 29 0.783 1.596 0.667 1.00 0.00 C ATOM 473 C GLU A 29 0.283 2.670 -0.343 1.00 0.00 C ATOM 474 O GLU A 29 0.280 2.429 -1.560 1.00 0.00 O ATOM 475 CB GLU A 29 2.329 1.499 0.619 1.00 0.00 C ATOM 476 CG GLU A 29 3.013 0.914 1.865 1.00 0.00 C ATOM 477 CD GLU A 29 3.396 -0.542 1.847 1.00 0.00 C ATOM 478 OE1 GLU A 29 4.438 -0.872 1.244 1.00 0.00 O ATOM 479 OE2 GLU A 29 2.694 -1.367 2.466 1.00 0.00 O ATOM 0 H GLU A 29 0.226 -0.028 -0.571 1.00 0.00 H new ATOM 0 HA GLU A 29 0.503 1.892 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.607 0.891 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.729 2.498 0.446 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.917 1.494 2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.350 1.074 2.715 1.00 0.00 H new ATOM 486 N ALA A 30 -0.105 3.851 0.171 1.00 0.00 N ATOM 487 CA ALA A 30 -0.364 5.034 -0.666 1.00 0.00 C ATOM 488 C ALA A 30 0.904 5.907 -0.916 1.00 0.00 C ATOM 489 O ALA A 30 1.464 6.416 0.061 1.00 0.00 O ATOM 490 CB ALA A 30 -1.436 5.859 0.066 1.00 0.00 C ATOM 0 H ALA A 30 -0.246 4.011 1.168 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.690 4.707 -1.653 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.667 6.752 -0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.339 5.260 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.063 6.150 1.048 1.00 0.00 H new ATOM 496 N PRO A 31 1.310 6.181 -2.182 1.00 0.00 N ATOM 497 CA PRO A 31 2.303 7.255 -2.493 1.00 0.00 C ATOM 498 C PRO A 31 1.579 8.564 -2.943 1.00 0.00 C ATOM 499 O PRO A 31 0.906 9.206 -2.129 1.00 0.00 O ATOM 500 CB PRO A 31 3.199 6.488 -3.495 1.00 0.00 C ATOM 501 CG PRO A 31 2.205 5.656 -4.340 1.00 0.00 C ATOM 502 CD PRO A 31 1.138 5.233 -3.311 1.00 0.00 C ATOM 0 HA PRO A 31 2.910 7.671 -1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.775 7.172 -4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.915 5.848 -2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.773 6.245 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.689 4.793 -4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.135 5.296 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.285 4.202 -2.989 1.00 0.00 H new ATOM 510 N ILE A 32 1.686 8.963 -4.218 1.00 0.00 N ATOM 511 CA ILE A 32 1.270 10.304 -4.704 1.00 0.00 C ATOM 512 C ILE A 32 0.008 10.251 -5.620 1.00 0.00 C ATOM 513 O ILE A 32 -0.064 9.482 -6.583 1.00 0.00 O ATOM 514 CB ILE A 32 2.451 11.066 -5.432 1.00 0.00 C ATOM 515 CG1 ILE A 32 3.151 10.291 -6.563 1.00 0.00 C ATOM 516 CG2 ILE A 32 3.430 11.590 -4.364 1.00 0.00 C ATOM 517 CD1 ILE A 32 4.269 11.052 -7.272 1.00 0.00 C ATOM 0 H ILE A 32 2.065 8.367 -4.953 1.00 0.00 H new ATOM 0 HA ILE A 32 1.001 10.868 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 32 2.006 11.901 -5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.564 9.370 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.403 10.002 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.250 12.118 -4.850 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.906 12.272 -3.694 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.827 10.752 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.700 10.423 -8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.864 11.959 -7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.042 11.317 -6.551 1.00 0.00 H new ATOM 529 N LYS A 33 -0.942 11.157 -5.349 1.00 0.00 N ATOM 530 CA LYS A 33 -2.116 11.398 -6.237 1.00 0.00 C ATOM 531 C LYS A 33 -1.829 12.123 -7.596 1.00 0.00 C ATOM 532 O LYS A 33 -2.519 11.860 -8.581 1.00 0.00 O ATOM 533 CB LYS A 33 -3.164 12.196 -5.421 1.00 0.00 C ATOM 534 CG LYS A 33 -4.615 12.091 -5.911 1.00 0.00 C ATOM 535 CD LYS A 33 -5.297 10.734 -5.731 1.00 0.00 C ATOM 536 CE LYS A 33 -5.429 10.097 -4.332 1.00 0.00 C ATOM 537 NZ LYS A 33 -5.790 11.013 -3.216 1.00 0.00 N ATOM 0 H LYS A 33 -0.930 11.746 -4.516 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.470 10.414 -6.544 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.125 11.857 -4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.875 13.247 -5.424 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.207 12.843 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.637 12.347 -6.970 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.304 10.825 -6.138 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.763 10.021 -6.359 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.182 9.311 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.482 9.616 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.967 11.143 -2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.080 11.934 -3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.575 10.603 -2.671 1.00 0.00 H new ATOM 551 N TYR A 34 -0.828 13.018 -7.626 1.00 0.00 N ATOM 552 CA TYR A 34 -0.374 13.704 -8.871 1.00 0.00 C ATOM 553 C TYR A 34 0.132 12.774 -10.026 1.00 0.00 C ATOM 554 O TYR A 34 -0.101 13.090 -11.192 1.00 0.00 O ATOM 555 CB TYR A 34 0.702 14.713 -8.400 1.00 0.00 C ATOM 556 CG TYR A 34 1.120 15.785 -9.413 1.00 0.00 C ATOM 557 CD1 TYR A 34 0.298 16.901 -9.650 1.00 0.00 C ATOM 558 CD2 TYR A 34 2.350 15.703 -10.078 1.00 0.00 C ATOM 559 CE1 TYR A 34 0.698 17.897 -10.546 1.00 0.00 C ATOM 560 CE2 TYR A 34 2.754 16.708 -10.962 1.00 0.00 C ATOM 561 CZ TYR A 34 1.925 17.806 -11.194 1.00 0.00 C ATOM 562 OH TYR A 34 2.312 18.787 -12.055 1.00 0.00 O ATOM 0 H TYR A 34 -0.304 13.294 -6.795 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.227 14.184 -9.351 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.332 15.214 -7.505 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.591 14.154 -8.108 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.648 16.989 -9.137 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.994 14.853 -9.906 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.051 18.741 -10.736 1.00 0.00 H new ATOM 0 HE2 TYR A 34 3.707 16.634 -11.465 1.00 0.00 H new ATOM 0 HH TYR A 34 3.195 18.571 -12.422 1.00 0.00 H new ATOM 572 N TRP A 35 0.794 11.653 -9.695 1.00 0.00 N ATOM 573 CA TRP A 35 1.114 10.582 -10.674 1.00 0.00 C ATOM 574 C TRP A 35 0.023 9.463 -10.762 1.00 0.00 C ATOM 575 O TRP A 35 -0.363 9.111 -11.876 1.00 0.00 O ATOM 576 CB TRP A 35 2.508 10.035 -10.293 1.00 0.00 C ATOM 577 CG TRP A 35 3.245 9.250 -11.414 1.00 0.00 C ATOM 578 CD1 TRP A 35 3.083 7.877 -11.726 1.00 0.00 C ATOM 579 CD2 TRP A 35 4.244 9.698 -12.283 1.00 0.00 C ATOM 580 NE1 TRP A 35 3.933 7.464 -12.763 1.00 0.00 N ATOM 581 CE2 TRP A 35 4.642 8.600 -13.094 1.00 0.00 C ATOM 582 CE3 TRP A 35 4.881 10.971 -12.440 1.00 0.00 C ATOM 583 CZ2 TRP A 35 5.674 8.766 -14.061 1.00 0.00 C ATOM 584 CZ3 TRP A 35 5.888 11.103 -13.391 1.00 0.00 C ATOM 585 CH2 TRP A 35 6.281 10.013 -14.193 1.00 0.00 C ATOM 0 H TRP A 35 1.124 11.457 -8.750 1.00 0.00 H new ATOM 0 HA TRP A 35 1.126 10.995 -11.682 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.136 10.871 -9.985 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.399 9.382 -9.427 1.00 0.00 H new ATOM 0 HD1 TRP A 35 2.385 7.224 -11.223 1.00 0.00 H new ATOM 0 HE1 TRP A 35 4.009 6.535 -13.178 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.585 11.813 -11.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.981 7.938 -14.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 6.377 12.058 -13.517 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.066 10.147 -14.922 1.00 0.00 H new ATOM 596 N LEU A 36 -0.431 8.879 -9.634 1.00 0.00 N ATOM 597 CA LEU A 36 -1.373 7.730 -9.639 1.00 0.00 C ATOM 598 C LEU A 36 -2.790 8.178 -9.139 1.00 0.00 C ATOM 599 O LEU A 36 -2.876 8.635 -7.992 1.00 0.00 O ATOM 600 CB LEU A 36 -0.837 6.605 -8.704 1.00 0.00 C ATOM 601 CG LEU A 36 0.515 5.957 -9.077 1.00 0.00 C ATOM 602 CD1 LEU A 36 0.891 4.909 -8.013 1.00 0.00 C ATOM 603 CD2 LEU A 36 0.502 5.287 -10.455 1.00 0.00 C ATOM 0 H LEU A 36 -0.160 9.184 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.455 7.357 -10.660 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.748 7.016 -7.699 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.588 5.816 -8.660 1.00 0.00 H new ATOM 0 HG LEU A 36 1.251 6.760 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.845 4.451 -8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.976 5.393 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.119 4.141 -7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.481 4.851 -10.657 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.255 4.503 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.271 6.030 -11.219 1.00 0.00 H new ATOM 615 N PRO A 37 -3.923 8.039 -9.882 1.00 0.00 N ATOM 616 CA PRO A 37 -5.264 8.532 -9.400 1.00 0.00 C ATOM 617 C PRO A 37 -5.887 7.856 -8.146 1.00 0.00 C ATOM 618 O PRO A 37 -6.656 8.496 -7.426 1.00 0.00 O ATOM 619 CB PRO A 37 -6.141 8.412 -10.670 1.00 0.00 C ATOM 620 CG PRO A 37 -5.492 7.278 -11.493 1.00 0.00 C ATOM 621 CD PRO A 37 -3.982 7.454 -11.240 1.00 0.00 C ATOM 0 HA PRO A 37 -5.170 9.541 -8.999 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.174 8.175 -10.416 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.157 9.347 -11.229 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.840 6.298 -11.167 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.732 7.365 -12.553 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.453 6.502 -11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.525 8.111 -11.980 1.00 0.00 H new ATOM 629 N HIS A 38 -5.523 6.601 -7.864 1.00 0.00 N ATOM 630 CA HIS A 38 -5.771 5.955 -6.558 1.00 0.00 C ATOM 631 C HIS A 38 -4.402 5.771 -5.836 1.00 0.00 C ATOM 632 O HIS A 38 -3.668 4.826 -6.139 1.00 0.00 O ATOM 633 CB HIS A 38 -6.482 4.616 -6.886 1.00 0.00 C ATOM 634 CG HIS A 38 -7.093 3.854 -5.697 1.00 0.00 C ATOM 635 ND1 HIS A 38 -8.391 3.362 -5.712 1.00 0.00 N ATOM 636 CD2 HIS A 38 -6.449 3.430 -4.508 1.00 0.00 C ATOM 637 CE1 HIS A 38 -8.427 2.676 -4.525 1.00 0.00 C ATOM 638 NE2 HIS A 38 -7.312 2.682 -3.730 1.00 0.00 N ATOM 0 H HIS A 38 -5.046 5.997 -8.533 1.00 0.00 H new ATOM 0 HA HIS A 38 -6.399 6.536 -5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -7.275 4.818 -7.606 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.764 3.960 -7.379 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.427 3.659 -4.246 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.316 2.142 -4.224 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -7.161 2.253 -2.817 1.00 0.00 H new ATOM 647 N SER A 39 -4.094 6.602 -4.824 1.00 0.00 N ATOM 648 CA SER A 39 -2.982 6.304 -3.885 1.00 0.00 C ATOM 649 C SER A 39 -3.432 5.259 -2.812 1.00 0.00 C ATOM 650 O SER A 39 -4.204 5.601 -1.909 1.00 0.00 O ATOM 651 CB SER A 39 -2.476 7.590 -3.180 1.00 0.00 C ATOM 652 OG SER A 39 -3.438 8.129 -2.267 1.00 0.00 O ATOM 0 H SER A 39 -4.587 7.474 -4.632 1.00 0.00 H new ATOM 0 HA SER A 39 -2.163 5.887 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.554 7.367 -2.642 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.233 8.341 -3.932 1.00 0.00 H new ATOM 0 HG SER A 39 -3.953 7.398 -1.865 1.00 0.00 H new ATOM 658 N GLY A 40 -2.947 4.022 -2.928 1.00 0.00 N ATOM 659 CA GLY A 40 -3.229 2.956 -1.940 1.00 0.00 C ATOM 660 C GLY A 40 -3.567 1.621 -2.605 1.00 0.00 C ATOM 661 O GLY A 40 -4.745 1.273 -2.709 1.00 0.00 O ATOM 0 H GLY A 40 -2.351 3.723 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.363 2.827 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.060 3.263 -1.305 1.00 0.00 H new ATOM 665 N ALA A 41 -2.533 0.904 -3.064 1.00 0.00 N ATOM 666 CA ALA A 41 -2.707 -0.334 -3.859 1.00 0.00 C ATOM 667 C ALA A 41 -2.198 -1.592 -3.102 1.00 0.00 C ATOM 668 O ALA A 41 -1.095 -1.586 -2.540 1.00 0.00 O ATOM 669 CB ALA A 41 -1.931 -0.135 -5.173 1.00 0.00 C ATOM 0 H ALA A 41 -1.558 1.157 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.766 -0.507 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.031 -1.026 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.334 0.726 -5.707 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.878 0.036 -4.951 1.00 0.00 H new ATOM 675 N THR A 42 -2.997 -2.668 -3.127 1.00 0.00 N ATOM 676 CA THR A 42 -2.666 -3.944 -2.438 1.00 0.00 C ATOM 677 C THR A 42 -1.849 -4.897 -3.344 1.00 0.00 C ATOM 678 O THR A 42 -2.403 -5.530 -4.246 1.00 0.00 O ATOM 679 CB THR A 42 -3.966 -4.574 -1.857 1.00 0.00 C ATOM 680 OG1 THR A 42 -3.629 -5.682 -1.026 1.00 0.00 O ATOM 681 CG2 THR A 42 -5.042 -5.061 -2.818 1.00 0.00 C ATOM 0 H THR A 42 -3.889 -2.689 -3.621 1.00 0.00 H new ATOM 0 HA THR A 42 -2.005 -3.741 -1.595 1.00 0.00 H new ATOM 0 HB THR A 42 -4.413 -3.725 -1.340 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.448 -6.077 -0.659 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.878 -5.471 -2.251 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.391 -4.227 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.629 -5.835 -3.465 1.00 0.00 H new ATOM 689 N TRP A 43 -0.536 -5.026 -3.092 1.00 0.00 N ATOM 690 CA TRP A 43 0.296 -6.040 -3.800 1.00 0.00 C ATOM 691 C TRP A 43 0.587 -7.228 -2.842 1.00 0.00 C ATOM 692 O TRP A 43 1.431 -7.105 -1.953 1.00 0.00 O ATOM 693 CB TRP A 43 1.576 -5.379 -4.351 1.00 0.00 C ATOM 694 CG TRP A 43 2.324 -6.213 -5.468 1.00 0.00 C ATOM 695 CD1 TRP A 43 2.437 -7.636 -5.623 1.00 0.00 C ATOM 696 CD2 TRP A 43 3.040 -5.703 -6.556 1.00 0.00 C ATOM 697 NE1 TRP A 43 3.161 -7.997 -6.768 1.00 0.00 N ATOM 698 CE2 TRP A 43 3.541 -6.795 -7.319 1.00 0.00 C ATOM 699 CE3 TRP A 43 3.308 -4.361 -6.973 1.00 0.00 C ATOM 700 CZ2 TRP A 43 4.329 -6.551 -8.478 1.00 0.00 C ATOM 701 CZ3 TRP A 43 4.086 -4.152 -8.108 1.00 0.00 C ATOM 702 CH2 TRP A 43 4.598 -5.235 -8.848 1.00 0.00 C ATOM 0 H TRP A 43 -0.025 -4.456 -2.417 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.241 -6.443 -4.659 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.317 -4.402 -4.759 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.264 -5.207 -3.524 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.011 -8.350 -4.933 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.360 -8.936 -7.113 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.913 -3.524 -6.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.713 -7.374 -9.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 4.301 -3.143 -8.426 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.210 -5.042 -9.717 1.00 0.00 H new ATOM 713 N SER A 44 -0.092 -8.365 -3.066 1.00 0.00 N ATOM 714 CA SER A 44 0.167 -9.634 -2.334 1.00 0.00 C ATOM 715 C SER A 44 0.947 -10.671 -3.192 1.00 0.00 C ATOM 716 O SER A 44 0.348 -11.463 -3.929 1.00 0.00 O ATOM 717 CB SER A 44 -1.201 -10.166 -1.844 1.00 0.00 C ATOM 718 OG SER A 44 -1.066 -11.382 -1.111 1.00 0.00 O ATOM 0 H SER A 44 -0.838 -8.439 -3.758 1.00 0.00 H new ATOM 0 HA SER A 44 0.820 -9.449 -1.481 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.679 -9.414 -1.216 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.855 -10.329 -2.700 1.00 0.00 H new ATOM 0 HG SER A 44 -1.950 -11.687 -0.817 1.00 0.00 H new ATOM 724 N GLY A 45 2.285 -10.671 -3.066 1.00 0.00 N ATOM 725 CA GLY A 45 3.153 -11.569 -3.864 1.00 0.00 C ATOM 726 C GLY A 45 4.628 -11.147 -3.822 1.00 0.00 C ATOM 727 O GLY A 45 5.398 -11.652 -3.000 1.00 0.00 O ATOM 0 H GLY A 45 2.792 -10.063 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.059 -12.588 -3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.810 -11.577 -4.898 1.00 0.00 H new ATOM 731 N ARG A 46 4.994 -10.202 -4.699 1.00 0.00 N ATOM 732 CA ARG A 46 6.320 -9.519 -4.651 1.00 0.00 C ATOM 733 C ARG A 46 6.357 -8.437 -3.538 1.00 0.00 C ATOM 734 O ARG A 46 5.381 -7.712 -3.311 1.00 0.00 O ATOM 735 CB ARG A 46 6.598 -8.981 -6.081 1.00 0.00 C ATOM 736 CG ARG A 46 7.836 -8.084 -6.305 1.00 0.00 C ATOM 737 CD ARG A 46 7.506 -6.580 -6.224 1.00 0.00 C ATOM 738 NE ARG A 46 8.749 -5.772 -6.292 1.00 0.00 N ATOM 739 CZ ARG A 46 8.819 -4.491 -6.651 1.00 0.00 C ATOM 740 NH1 ARG A 46 7.788 -3.782 -7.036 1.00 0.00 N ATOM 741 NH2 ARG A 46 9.981 -3.905 -6.627 1.00 0.00 N ATOM 0 H ARG A 46 4.394 -9.883 -5.460 1.00 0.00 H new ATOM 0 HA ARG A 46 7.122 -10.204 -4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.686 -9.840 -6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.720 -8.419 -6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.594 -8.326 -5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.267 -8.305 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.840 -6.303 -7.041 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.977 -6.367 -5.295 1.00 0.00 H new ATOM 0 HE ARG A 46 9.623 -6.236 -6.043 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.862 -4.208 -7.074 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.911 -2.804 -7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.809 -4.426 -6.338 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.064 -2.925 -6.897 1.00 0.00 H new ATOM 755 N GLY A 47 7.524 -8.293 -2.887 1.00 0.00 N ATOM 756 CA GLY A 47 7.749 -7.237 -1.873 1.00 0.00 C ATOM 757 C GLY A 47 7.859 -5.798 -2.412 1.00 0.00 C ATOM 758 O GLY A 47 8.950 -5.244 -2.543 1.00 0.00 O ATOM 0 H GLY A 47 8.332 -8.895 -3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.932 -7.273 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.664 -7.472 -1.329 1.00 0.00 H new ATOM 762 N LYS A 48 6.694 -5.201 -2.663 1.00 0.00 N ATOM 763 CA LYS A 48 6.555 -3.763 -3.010 1.00 0.00 C ATOM 764 C LYS A 48 6.514 -2.916 -1.714 1.00 0.00 C ATOM 765 O LYS A 48 5.486 -2.858 -1.044 1.00 0.00 O ATOM 766 CB LYS A 48 5.307 -3.684 -3.929 1.00 0.00 C ATOM 767 CG LYS A 48 4.661 -2.310 -4.215 1.00 0.00 C ATOM 768 CD LYS A 48 3.611 -1.920 -3.157 1.00 0.00 C ATOM 769 CE LYS A 48 2.373 -1.192 -3.675 1.00 0.00 C ATOM 770 NZ LYS A 48 1.566 -0.797 -2.485 1.00 0.00 N ATOM 0 H LYS A 48 5.803 -5.697 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 48 7.398 -3.340 -3.557 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.579 -4.123 -4.889 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.539 -4.322 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.438 -1.547 -4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.191 -2.331 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.287 -2.826 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.094 -1.288 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.657 -0.315 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.795 -1.838 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.632 -1.252 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.055 -1.099 -1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.447 0.236 -2.473 1.00 0.00 H new ATOM 784 N ILE A 49 7.626 -2.256 -1.370 1.00 0.00 N ATOM 785 CA ILE A 49 7.645 -1.206 -0.314 1.00 0.00 C ATOM 786 C ILE A 49 7.972 0.128 -1.091 1.00 0.00 C ATOM 787 O ILE A 49 9.125 0.266 -1.519 1.00 0.00 O ATOM 788 CB ILE A 49 8.694 -1.460 0.829 1.00 0.00 C ATOM 789 CG1 ILE A 49 8.563 -2.805 1.598 1.00 0.00 C ATOM 790 CG2 ILE A 49 8.556 -0.340 1.914 1.00 0.00 C ATOM 791 CD1 ILE A 49 9.124 -4.034 0.886 1.00 0.00 C ATOM 0 H ILE A 49 8.534 -2.423 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 49 6.690 -1.182 0.212 1.00 0.00 H new ATOM 0 HB ILE A 49 9.650 -1.474 0.305 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.067 -2.703 2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.508 -2.980 1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.282 -0.512 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.741 0.633 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.549 -0.360 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.979 -4.915 1.512 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.605 -4.174 -0.062 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.189 -3.892 0.700 1.00 0.00 H new ATOM 803 N PRO A 50 7.068 1.125 -1.290 1.00 0.00 N ATOM 804 CA PRO A 50 7.404 2.363 -2.078 1.00 0.00 C ATOM 805 C PRO A 50 8.145 3.507 -1.332 1.00 0.00 C ATOM 806 O PRO A 50 7.976 4.686 -1.650 1.00 0.00 O ATOM 807 CB PRO A 50 5.996 2.753 -2.593 1.00 0.00 C ATOM 808 CG PRO A 50 5.056 2.383 -1.424 1.00 0.00 C ATOM 809 CD PRO A 50 5.671 1.105 -0.821 1.00 0.00 C ATOM 0 HA PRO A 50 8.154 2.173 -2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.938 3.815 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.738 2.208 -3.501 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.005 3.184 -0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.039 2.207 -1.774 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.615 1.111 0.268 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.148 0.211 -1.162 1.00 0.00 H new ATOM 817 N LYS A 51 9.064 3.125 -0.440 1.00 0.00 N ATOM 818 CA LYS A 51 10.053 4.035 0.177 1.00 0.00 C ATOM 819 C LYS A 51 11.105 4.585 -0.835 1.00 0.00 C ATOM 820 O LYS A 51 11.123 5.810 -0.946 1.00 0.00 O ATOM 821 CB LYS A 51 10.640 3.372 1.446 1.00 0.00 C ATOM 822 CG LYS A 51 10.195 3.992 2.792 1.00 0.00 C ATOM 823 CD LYS A 51 8.679 3.975 3.071 1.00 0.00 C ATOM 824 CE LYS A 51 8.351 4.581 4.449 1.00 0.00 C ATOM 825 NZ LYS A 51 6.878 4.718 4.595 1.00 0.00 N ATOM 0 H LYS A 51 9.149 2.161 -0.117 1.00 0.00 H new ATOM 0 HA LYS A 51 9.547 4.944 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.364 2.317 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.727 3.417 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.700 3.461 3.599 1.00 0.00 H new ATOM 0 HG3 LYS A 51 10.540 5.025 2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.159 4.534 2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.311 2.950 3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.748 3.946 5.241 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.829 5.555 4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.606 4.509 5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.594 5.690 4.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.402 4.051 3.954 1.00 0.00 H new ATOM 839 N PRO A 52 11.918 3.841 -1.642 1.00 0.00 N ATOM 840 CA PRO A 52 12.785 4.473 -2.704 1.00 0.00 C ATOM 841 C PRO A 52 12.098 5.316 -3.821 1.00 0.00 C ATOM 842 O PRO A 52 12.732 6.236 -4.343 1.00 0.00 O ATOM 843 CB PRO A 52 13.618 3.275 -3.221 1.00 0.00 C ATOM 844 CG PRO A 52 12.756 2.030 -2.926 1.00 0.00 C ATOM 845 CD PRO A 52 12.040 2.371 -1.605 1.00 0.00 C ATOM 0 HA PRO A 52 13.376 5.281 -2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.824 3.369 -4.287 1.00 0.00 H new ATOM 0 HB3 PRO A 52 14.581 3.217 -2.714 1.00 0.00 H new ATOM 0 HG2 PRO A 52 12.043 1.840 -3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 52 13.370 1.135 -2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 52 11.064 1.890 -1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.615 2.039 -0.741 1.00 0.00 H new ATOM 853 N PHE A 53 10.812 5.063 -4.132 1.00 0.00 N ATOM 854 CA PHE A 53 9.976 6.017 -4.912 1.00 0.00 C ATOM 855 C PHE A 53 9.559 7.272 -4.090 1.00 0.00 C ATOM 856 O PHE A 53 9.974 8.368 -4.470 1.00 0.00 O ATOM 857 CB PHE A 53 8.797 5.220 -5.522 1.00 0.00 C ATOM 858 CG PHE A 53 7.773 6.058 -6.312 1.00 0.00 C ATOM 859 CD1 PHE A 53 8.088 6.583 -7.577 1.00 0.00 C ATOM 860 CD2 PHE A 53 6.519 6.354 -5.755 1.00 0.00 C ATOM 861 CE1 PHE A 53 7.158 7.353 -8.279 1.00 0.00 C ATOM 862 CE2 PHE A 53 5.598 7.137 -6.451 1.00 0.00 C ATOM 863 CZ PHE A 53 5.913 7.623 -7.718 1.00 0.00 C ATOM 0 H PHE A 53 10.324 4.210 -3.859 1.00 0.00 H new ATOM 0 HA PHE A 53 10.556 6.450 -5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.202 4.454 -6.183 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.275 4.703 -4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.058 6.389 -8.010 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.265 5.972 -4.778 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.405 7.739 -9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.640 7.367 -6.007 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.190 8.210 -8.266 1.00 0.00 H new ATOM 873 N GLU A 54 8.768 7.143 -3.005 1.00 0.00 N ATOM 874 CA GLU A 54 8.307 8.321 -2.205 1.00 0.00 C ATOM 875 C GLU A 54 9.420 9.184 -1.510 1.00 0.00 C ATOM 876 O GLU A 54 9.219 10.387 -1.314 1.00 0.00 O ATOM 877 CB GLU A 54 7.176 7.853 -1.248 1.00 0.00 C ATOM 878 CG GLU A 54 6.336 9.013 -0.671 1.00 0.00 C ATOM 879 CD GLU A 54 4.990 8.668 -0.054 1.00 0.00 C ATOM 880 OE1 GLU A 54 4.810 7.553 0.477 1.00 0.00 O ATOM 881 OE2 GLU A 54 4.100 9.549 -0.075 1.00 0.00 O ATOM 0 H GLU A 54 8.431 6.246 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 54 7.916 9.050 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.517 7.170 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.617 7.290 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.935 9.516 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.164 9.734 -1.471 1.00 0.00 H new ATOM 888 N ALA A 55 10.583 8.591 -1.203 1.00 0.00 N ATOM 889 CA ALA A 55 11.818 9.316 -0.831 1.00 0.00 C ATOM 890 C ALA A 55 12.432 10.202 -1.947 1.00 0.00 C ATOM 891 O ALA A 55 12.656 11.389 -1.703 1.00 0.00 O ATOM 892 CB ALA A 55 12.825 8.266 -0.335 1.00 0.00 C ATOM 0 H ALA A 55 10.699 7.578 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 55 11.559 10.037 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.754 8.759 -0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.411 7.744 0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.025 7.549 -1.131 1.00 0.00 H new ATOM 898 N TRP A 56 12.661 9.672 -3.163 1.00 0.00 N ATOM 899 CA TRP A 56 13.078 10.511 -4.322 1.00 0.00 C ATOM 900 C TRP A 56 11.990 11.473 -4.899 1.00 0.00 C ATOM 901 O TRP A 56 12.319 12.605 -5.261 1.00 0.00 O ATOM 902 CB TRP A 56 13.722 9.607 -5.395 1.00 0.00 C ATOM 903 CG TRP A 56 14.826 10.382 -6.183 1.00 0.00 C ATOM 904 CD1 TRP A 56 14.733 10.933 -7.486 1.00 0.00 C ATOM 905 CD2 TRP A 56 16.083 10.773 -5.715 1.00 0.00 C ATOM 906 NE1 TRP A 56 15.890 11.653 -7.835 1.00 0.00 N ATOM 907 CE2 TRP A 56 16.707 11.549 -6.726 1.00 0.00 C ATOM 908 CE3 TRP A 56 16.742 10.563 -4.458 1.00 0.00 C ATOM 909 CZ2 TRP A 56 17.992 12.117 -6.491 1.00 0.00 C ATOM 910 CZ3 TRP A 56 17.998 11.123 -4.261 1.00 0.00 C ATOM 911 CH2 TRP A 56 18.617 11.894 -5.265 1.00 0.00 C ATOM 0 H TRP A 56 12.568 8.679 -3.376 1.00 0.00 H new ATOM 0 HA TRP A 56 13.818 11.216 -3.943 1.00 0.00 H new ATOM 0 HB2 TRP A 56 14.157 8.726 -4.922 1.00 0.00 H new ATOM 0 HB3 TRP A 56 12.957 9.253 -6.086 1.00 0.00 H new ATOM 0 HD1 TRP A 56 13.877 10.814 -8.133 1.00 0.00 H new ATOM 0 HE1 TRP A 56 16.082 12.142 -8.709 1.00 0.00 H new ATOM 0 HE3 TRP A 56 16.271 9.981 -3.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 18.475 12.712 -7.252 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 18.509 10.965 -3.323 1.00 0.00 H new ATOM 0 HH2 TRP A 56 19.593 12.320 -5.082 1.00 0.00 H new ATOM 922 N ILE A 57 10.705 11.088 -4.868 1.00 0.00 N ATOM 923 CA ILE A 57 9.557 12.053 -4.937 1.00 0.00 C ATOM 924 C ILE A 57 9.450 13.104 -3.755 1.00 0.00 C ATOM 925 O ILE A 57 8.602 13.998 -3.830 1.00 0.00 O ATOM 926 CB ILE A 57 8.281 11.192 -5.204 1.00 0.00 C ATOM 927 CG1 ILE A 57 8.210 10.602 -6.643 1.00 0.00 C ATOM 928 CG2 ILE A 57 6.929 11.788 -4.818 1.00 0.00 C ATOM 929 CD1 ILE A 57 8.043 11.583 -7.795 1.00 0.00 C ATOM 0 H ILE A 57 10.416 10.112 -4.795 1.00 0.00 H new ATOM 0 HA ILE A 57 9.715 12.754 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 57 8.444 10.387 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.121 10.029 -6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.379 9.897 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 57 6.137 11.080 -5.061 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.915 11.996 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.769 12.715 -5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.009 11.036 -8.737 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.116 12.141 -7.666 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.885 12.275 -7.808 1.00 0.00 H new ATOM 941 N GLY A 58 10.296 13.049 -2.716 1.00 0.00 N ATOM 942 CA GLY A 58 10.448 14.140 -1.731 1.00 0.00 C ATOM 943 C GLY A 58 11.826 14.823 -1.584 1.00 0.00 C ATOM 944 O GLY A 58 11.848 15.907 -1.003 1.00 0.00 O ATOM 0 H GLY A 58 10.898 12.246 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.721 14.913 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.170 13.744 -0.754 1.00 0.00 H new ATOM 948 N THR A 59 12.933 14.267 -2.110 1.00 0.00 N ATOM 949 CA THR A 59 14.290 14.902 -2.046 1.00 0.00 C ATOM 950 C THR A 59 14.363 16.389 -2.550 1.00 0.00 C ATOM 951 O THR A 59 14.917 17.243 -1.857 1.00 0.00 O ATOM 952 CB THR A 59 15.312 14.004 -2.828 1.00 0.00 C ATOM 953 OG1 THR A 59 15.301 12.664 -2.353 1.00 0.00 O ATOM 954 CG2 THR A 59 16.762 14.473 -2.712 1.00 0.00 C ATOM 0 H THR A 59 12.927 13.368 -2.593 1.00 0.00 H new ATOM 0 HA THR A 59 14.544 14.963 -0.988 1.00 0.00 H new ATOM 0 HB THR A 59 14.982 14.076 -3.864 1.00 0.00 H new ATOM 0 HG1 THR A 59 15.722 12.078 -3.017 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.408 13.802 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.850 15.484 -3.110 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.063 14.468 -1.665 1.00 0.00 H new ATOM 962 N ALA A 60 13.798 16.652 -3.736 1.00 0.00 N ATOM 963 CA ALA A 60 13.567 18.030 -4.241 1.00 0.00 C ATOM 964 C ALA A 60 12.082 18.360 -4.615 1.00 0.00 C ATOM 965 O ALA A 60 11.675 19.516 -4.480 1.00 0.00 O ATOM 966 CB ALA A 60 14.510 18.269 -5.431 1.00 0.00 C ATOM 0 H ALA A 60 13.486 15.924 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 60 13.785 18.714 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 60 14.358 19.276 -5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 60 15.544 18.158 -5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 60 14.298 17.542 -6.215 1.00 0.00 H new ATOM 972 N ALA A 61 11.279 17.376 -5.053 1.00 0.00 N ATOM 973 CA ALA A 61 9.856 17.577 -5.399 1.00 0.00 C ATOM 974 C ALA A 61 8.858 17.952 -4.279 1.00 0.00 C ATOM 975 O ALA A 61 7.850 18.580 -4.598 1.00 0.00 O ATOM 976 CB ALA A 61 9.407 16.312 -6.134 1.00 0.00 C ATOM 0 H ALA A 61 11.596 16.415 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 61 9.826 18.485 -6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.358 16.407 -6.414 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.012 16.179 -7.031 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.531 15.448 -5.481 1.00 0.00 H new ATOM 982 N TYR A 62 9.149 17.631 -3.011 1.00 0.00 N ATOM 983 CA TYR A 62 8.333 18.059 -1.840 1.00 0.00 C ATOM 984 C TYR A 62 7.878 19.549 -1.803 1.00 0.00 C ATOM 985 O TYR A 62 6.690 19.789 -1.586 1.00 0.00 O ATOM 986 CB TYR A 62 9.101 17.676 -0.554 1.00 0.00 C ATOM 987 CG TYR A 62 8.317 17.767 0.766 1.00 0.00 C ATOM 988 CD1 TYR A 62 7.189 16.966 1.004 1.00 0.00 C ATOM 989 CD2 TYR A 62 8.749 18.639 1.777 1.00 0.00 C ATOM 990 CE1 TYR A 62 6.537 17.010 2.238 1.00 0.00 C ATOM 991 CE2 TYR A 62 8.078 18.696 3.003 1.00 0.00 C ATOM 992 CZ TYR A 62 6.974 17.883 3.232 1.00 0.00 C ATOM 993 OH TYR A 62 6.294 17.973 4.410 1.00 0.00 O ATOM 0 H TYR A 62 9.958 17.065 -2.755 1.00 0.00 H new ATOM 0 HA TYR A 62 7.385 17.528 -1.928 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.465 16.654 -0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.977 18.319 -0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.823 16.311 0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.607 19.272 1.607 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.691 16.365 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 62 8.418 19.373 3.773 1.00 0.00 H new ATOM 0 HH TYR A 62 6.733 18.627 4.992 1.00 0.00 H new ATOM 1003 N THR A 63 8.772 20.517 -2.061 1.00 0.00 N ATOM 1004 CA THR A 63 8.373 21.953 -2.175 1.00 0.00 C ATOM 1005 C THR A 63 7.389 22.310 -3.337 1.00 0.00 C ATOM 1006 O THR A 63 6.486 23.126 -3.134 1.00 0.00 O ATOM 1007 CB THR A 63 9.637 22.844 -2.121 1.00 0.00 C ATOM 1008 OG1 THR A 63 9.250 24.185 -1.846 1.00 0.00 O ATOM 1009 CG2 THR A 63 10.506 22.886 -3.372 1.00 0.00 C ATOM 0 H THR A 63 9.769 20.347 -2.195 1.00 0.00 H new ATOM 0 HA THR A 63 7.749 22.168 -1.308 1.00 0.00 H new ATOM 0 HB THR A 63 10.245 22.381 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.047 24.754 -1.809 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.357 23.545 -3.202 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.864 21.882 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.919 23.261 -4.210 1.00 0.00 H new ATOM 1017 N ALA A 64 7.517 21.668 -4.517 1.00 0.00 N ATOM 1018 CA ALA A 64 6.469 21.743 -5.566 1.00 0.00 C ATOM 1019 C ALA A 64 5.174 20.952 -5.224 1.00 0.00 C ATOM 1020 O ALA A 64 4.081 21.500 -5.362 1.00 0.00 O ATOM 1021 CB ALA A 64 7.102 21.276 -6.885 1.00 0.00 C ATOM 0 H ALA A 64 8.324 21.097 -4.769 1.00 0.00 H new ATOM 0 HA ALA A 64 6.128 22.775 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.358 21.318 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.940 21.926 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.458 20.252 -6.775 1.00 0.00 H new ATOM 1027 N TRP A 65 5.298 19.706 -4.749 1.00 0.00 N ATOM 1028 CA TRP A 65 4.160 18.882 -4.284 1.00 0.00 C ATOM 1029 C TRP A 65 3.267 19.498 -3.163 1.00 0.00 C ATOM 1030 O TRP A 65 2.042 19.469 -3.292 1.00 0.00 O ATOM 1031 CB TRP A 65 4.737 17.498 -3.877 1.00 0.00 C ATOM 1032 CG TRP A 65 3.819 16.344 -4.350 1.00 0.00 C ATOM 1033 CD1 TRP A 65 4.018 15.593 -5.529 1.00 0.00 C ATOM 1034 CD2 TRP A 65 2.601 15.893 -3.828 1.00 0.00 C ATOM 1035 NE1 TRP A 65 2.969 14.702 -5.764 1.00 0.00 N ATOM 1036 CE2 TRP A 65 2.099 14.907 -4.714 1.00 0.00 C ATOM 1037 CE3 TRP A 65 1.854 16.252 -2.661 1.00 0.00 C ATOM 1038 CZ2 TRP A 65 0.857 14.274 -4.442 1.00 0.00 C ATOM 1039 CZ3 TRP A 65 0.652 15.598 -2.409 1.00 0.00 C ATOM 1040 CH2 TRP A 65 0.155 14.622 -3.295 1.00 0.00 C ATOM 0 H TRP A 65 6.198 19.231 -4.673 1.00 0.00 H new ATOM 0 HA TRP A 65 3.455 18.806 -5.112 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.731 17.375 -4.308 1.00 0.00 H new ATOM 0 HB3 TRP A 65 4.852 17.454 -2.794 1.00 0.00 H new ATOM 0 HD1 TRP A 65 4.879 15.696 -6.173 1.00 0.00 H new ATOM 0 HE1 TRP A 65 2.869 14.046 -6.539 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.216 17.016 -1.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.463 13.531 -5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.091 15.843 -1.519 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.786 14.137 -3.079 1.00 0.00 H new ATOM 1051 N LYS A 66 3.881 20.088 -2.127 1.00 0.00 N ATOM 1052 CA LYS A 66 3.168 20.885 -1.094 1.00 0.00 C ATOM 1053 C LYS A 66 2.427 22.189 -1.593 1.00 0.00 C ATOM 1054 O LYS A 66 1.479 22.609 -0.929 1.00 0.00 O ATOM 1055 CB LYS A 66 4.178 21.251 0.029 1.00 0.00 C ATOM 1056 CG LYS A 66 4.716 20.080 0.875 1.00 0.00 C ATOM 1057 CD LYS A 66 3.790 19.558 1.978 1.00 0.00 C ATOM 1058 CE LYS A 66 3.636 20.499 3.187 1.00 0.00 C ATOM 1059 NZ LYS A 66 2.374 21.282 3.090 1.00 0.00 N ATOM 0 H LYS A 66 4.888 20.031 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 66 2.360 20.244 -0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.026 21.761 -0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.700 21.965 0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.950 19.253 0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.654 20.393 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.805 19.374 1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.169 18.598 2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.638 19.917 4.109 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.488 21.178 3.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.910 21.309 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.590 22.252 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.739 20.833 2.399 1.00 0.00 H new ATOM 1073 N ALA A 67 2.824 22.788 -2.732 1.00 0.00 N ATOM 1074 CA ALA A 67 1.975 23.756 -3.472 1.00 0.00 C ATOM 1075 C ALA A 67 0.828 23.139 -4.344 1.00 0.00 C ATOM 1076 O ALA A 67 -0.254 23.725 -4.382 1.00 0.00 O ATOM 1077 CB ALA A 67 2.908 24.620 -4.336 1.00 0.00 C ATOM 0 H ALA A 67 3.732 22.621 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 67 1.436 24.339 -2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.317 25.345 -4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.615 25.146 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.454 23.982 -5.031 1.00 0.00 H new ATOM 1083 N LYS A 68 1.038 21.992 -5.025 1.00 0.00 N ATOM 1084 CA LYS A 68 -0.057 21.284 -5.750 1.00 0.00 C ATOM 1085 C LYS A 68 -1.174 20.671 -4.826 1.00 0.00 C ATOM 1086 O LYS A 68 -2.357 20.787 -5.149 1.00 0.00 O ATOM 1087 CB LYS A 68 0.505 20.158 -6.665 1.00 0.00 C ATOM 1088 CG LYS A 68 1.087 20.588 -8.022 1.00 0.00 C ATOM 1089 CD LYS A 68 2.515 21.132 -7.964 1.00 0.00 C ATOM 1090 CE LYS A 68 3.103 21.405 -9.359 1.00 0.00 C ATOM 1091 NZ LYS A 68 4.225 22.380 -9.272 1.00 0.00 N ATOM 0 H LYS A 68 1.947 21.533 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.529 22.066 -6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.284 19.631 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.295 19.441 -6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.066 19.733 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.440 21.351 -8.454 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.525 22.054 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.150 20.418 -7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.457 20.473 -9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.326 21.794 -10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.993 23.227 -9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.375 22.649 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.092 21.946 -9.647 1.00 0.00 H new ATOM 1105 N HIS A 69 -0.792 19.985 -3.747 1.00 0.00 N ATOM 1106 CA HIS A 69 -1.736 19.364 -2.787 1.00 0.00 C ATOM 1107 C HIS A 69 -1.306 19.690 -1.307 1.00 0.00 C ATOM 1108 O HIS A 69 -0.109 19.874 -1.066 1.00 0.00 O ATOM 1109 CB HIS A 69 -1.759 17.843 -3.049 1.00 0.00 C ATOM 1110 CG HIS A 69 -3.030 17.297 -3.714 1.00 0.00 C ATOM 1111 ND1 HIS A 69 -3.684 16.204 -3.187 1.00 0.00 N ATOM 1112 CD2 HIS A 69 -3.705 17.721 -4.894 1.00 0.00 C ATOM 1113 CE1 HIS A 69 -4.721 16.055 -4.062 1.00 0.00 C ATOM 1114 NE2 HIS A 69 -4.813 16.916 -5.122 1.00 0.00 N ATOM 0 H HIS A 69 0.188 19.838 -3.504 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.739 19.767 -2.924 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.905 17.589 -3.678 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.619 17.328 -2.099 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -3.454 15.652 -2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.400 18.547 -5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.454 15.274 -3.921 1.00 0.00 H new ATOM 1123 N PRO A 70 -2.213 19.748 -0.293 1.00 0.00 N ATOM 1124 CA PRO A 70 -1.898 20.372 1.041 1.00 0.00 C ATOM 1125 C PRO A 70 -0.862 19.613 1.893 1.00 0.00 C ATOM 1126 O PRO A 70 0.310 19.997 1.869 1.00 0.00 O ATOM 1127 CB PRO A 70 -3.309 20.586 1.649 1.00 0.00 C ATOM 1128 CG PRO A 70 -4.168 19.466 1.011 1.00 0.00 C ATOM 1129 CD PRO A 70 -3.647 19.419 -0.436 1.00 0.00 C ATOM 0 HA PRO A 70 -1.352 21.312 0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.291 20.505 2.736 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.701 21.575 1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.032 18.512 1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.232 19.700 1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.791 18.436 -0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.163 20.138 -1.073 1.00 0.00 H new ATOM 1137 N ASP A 71 -1.243 18.550 2.609 1.00 0.00 N ATOM 1138 CA ASP A 71 -0.273 17.564 3.156 1.00 0.00 C ATOM 1139 C ASP A 71 -0.778 16.116 2.869 1.00 0.00 C ATOM 1140 O ASP A 71 -1.030 15.322 3.783 1.00 0.00 O ATOM 1141 CB ASP A 71 -0.059 17.865 4.656 1.00 0.00 C ATOM 1142 CG ASP A 71 1.323 17.439 5.140 1.00 0.00 C ATOM 1143 OD1 ASP A 71 2.265 18.242 4.970 1.00 0.00 O ATOM 1144 OD2 ASP A 71 1.482 16.324 5.676 1.00 0.00 O ATOM 0 H ASP A 71 -2.216 18.340 2.830 1.00 0.00 H new ATOM 0 HA ASP A 71 0.699 17.646 2.669 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.190 18.933 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.821 17.349 5.240 1.00 0.00 H new ATOM 1149 N GLU A 72 -0.950 15.774 1.575 1.00 0.00 N ATOM 1150 CA GLU A 72 -1.400 14.408 1.195 1.00 0.00 C ATOM 1151 C GLU A 72 -0.242 13.346 1.160 1.00 0.00 C ATOM 1152 O GLU A 72 -0.399 12.260 1.709 1.00 0.00 O ATOM 1153 CB GLU A 72 -2.212 14.429 -0.126 1.00 0.00 C ATOM 1154 CG GLU A 72 -3.317 13.356 -0.141 1.00 0.00 C ATOM 1155 CD GLU A 72 -3.837 12.985 -1.510 1.00 0.00 C ATOM 1156 OE1 GLU A 72 -4.702 13.698 -2.046 1.00 0.00 O ATOM 1157 OE2 GLU A 72 -3.442 11.932 -2.051 1.00 0.00 O ATOM 0 H GLU A 72 -0.790 16.404 0.789 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.065 14.078 1.993 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.661 15.413 -0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.539 14.268 -0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.934 12.456 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.152 13.710 0.463 1.00 0.00 H new ATOM 1164 N LYS A 73 0.876 13.674 0.499 1.00 0.00 N ATOM 1165 CA LYS A 73 2.094 12.816 0.404 1.00 0.00 C ATOM 1166 C LYS A 73 2.901 12.714 1.723 1.00 0.00 C ATOM 1167 O LYS A 73 3.067 13.705 2.442 1.00 0.00 O ATOM 1168 CB LYS A 73 2.873 13.454 -0.776 1.00 0.00 C ATOM 1169 CG LYS A 73 4.280 12.933 -1.096 1.00 0.00 C ATOM 1170 CD LYS A 73 5.377 13.802 -0.445 1.00 0.00 C ATOM 1171 CE LYS A 73 6.790 13.539 -0.978 1.00 0.00 C ATOM 1172 NZ LYS A 73 7.249 12.212 -0.504 1.00 0.00 N ATOM 0 H LYS A 73 0.974 14.559 0.001 1.00 0.00 H new ATOM 0 HA LYS A 73 1.858 11.767 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.266 13.339 -1.674 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.953 14.523 -0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.375 11.905 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.424 12.916 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.132 14.853 -0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.369 13.630 0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.793 13.570 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.472 14.317 -0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.026 11.877 -1.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.583 12.290 0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.460 11.536 -0.548 1.00 0.00 H new ATOM 1186 N PHE A 74 3.455 11.520 2.014 1.00 0.00 N ATOM 1187 CA PHE A 74 4.247 11.304 3.257 1.00 0.00 C ATOM 1188 C PHE A 74 5.663 11.984 3.194 1.00 0.00 C ATOM 1189 O PHE A 74 6.358 11.791 2.183 1.00 0.00 O ATOM 1190 CB PHE A 74 4.367 9.778 3.523 1.00 0.00 C ATOM 1191 CG PHE A 74 4.788 9.440 4.971 1.00 0.00 C ATOM 1192 CD1 PHE A 74 3.823 9.357 5.988 1.00 0.00 C ATOM 1193 CD2 PHE A 74 6.139 9.238 5.311 1.00 0.00 C ATOM 1194 CE1 PHE A 74 4.192 9.064 7.303 1.00 0.00 C ATOM 1195 CE2 PHE A 74 6.508 8.947 6.627 1.00 0.00 C ATOM 1196 CZ PHE A 74 5.533 8.855 7.619 1.00 0.00 C ATOM 0 H PHE A 74 3.375 10.696 1.418 1.00 0.00 H new ATOM 0 HA PHE A 74 3.722 11.780 4.085 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.409 9.303 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.094 9.352 2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.782 9.522 5.750 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.899 9.309 4.546 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.439 9.000 8.074 1.00 0.00 H new ATOM 0 HE2 PHE A 74 7.548 8.793 6.875 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.817 8.621 8.634 1.00 0.00 H new ATOM 1206 N PRO A 75 6.152 12.736 4.223 1.00 0.00 N ATOM 1207 CA PRO A 75 7.486 13.426 4.163 1.00 0.00 C ATOM 1208 C PRO A 75 8.717 12.493 4.324 1.00 0.00 C ATOM 1209 O PRO A 75 9.424 12.489 5.335 1.00 0.00 O ATOM 1210 CB PRO A 75 7.339 14.507 5.267 1.00 0.00 C ATOM 1211 CG PRO A 75 6.367 13.893 6.296 1.00 0.00 C ATOM 1212 CD PRO A 75 5.383 13.079 5.442 1.00 0.00 C ATOM 0 HA PRO A 75 7.704 13.844 3.180 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.301 14.740 5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.946 15.438 4.859 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.892 13.260 7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 75 5.853 14.665 6.869 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.048 12.184 5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.492 13.659 5.200 1.00 0.00 H new ATOM 1220 N ALA A 76 8.966 11.725 3.257 1.00 0.00 N ATOM 1221 CA ALA A 76 10.065 10.749 3.198 1.00 0.00 C ATOM 1222 C ALA A 76 11.347 11.354 2.558 1.00 0.00 C ATOM 1223 O ALA A 76 11.305 11.984 1.496 1.00 0.00 O ATOM 1224 CB ALA A 76 9.551 9.558 2.373 1.00 0.00 C ATOM 0 H ALA A 76 8.408 11.762 2.404 1.00 0.00 H new ATOM 0 HA ALA A 76 10.350 10.441 4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.333 8.802 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.676 9.128 2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.279 9.898 1.374 1.00 0.00 H new ATOM 1230 N PHE A 77 12.478 11.117 3.218 1.00 0.00 N ATOM 1231 CA PHE A 77 13.825 11.512 2.726 1.00 0.00 C ATOM 1232 C PHE A 77 14.646 10.282 2.195 1.00 0.00 C ATOM 1233 O PHE A 77 14.345 9.148 2.595 1.00 0.00 O ATOM 1234 CB PHE A 77 14.546 12.271 3.879 1.00 0.00 C ATOM 1235 CG PHE A 77 15.006 11.438 5.093 1.00 0.00 C ATOM 1236 CD1 PHE A 77 14.123 11.146 6.147 1.00 0.00 C ATOM 1237 CD2 PHE A 77 16.305 10.905 5.136 1.00 0.00 C ATOM 1238 CE1 PHE A 77 14.521 10.320 7.199 1.00 0.00 C ATOM 1239 CE2 PHE A 77 16.703 10.083 6.191 1.00 0.00 C ATOM 1240 CZ PHE A 77 15.808 9.786 7.217 1.00 0.00 C ATOM 0 H PHE A 77 12.501 10.641 4.120 1.00 0.00 H new ATOM 0 HA PHE A 77 13.731 12.172 1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 77 15.421 12.769 3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.877 13.052 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.127 11.565 6.143 1.00 0.00 H new ATOM 0 HD2 PHE A 77 17.003 11.134 4.344 1.00 0.00 H new ATOM 0 HE1 PHE A 77 13.832 10.095 7.999 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.704 9.677 6.212 1.00 0.00 H new ATOM 0 HZ PHE A 77 16.112 9.141 8.028 1.00 0.00 H new ATOM 1250 N PRO A 78 15.710 10.425 1.359 1.00 0.00 N ATOM 1251 CA PRO A 78 16.590 9.270 0.984 1.00 0.00 C ATOM 1252 C PRO A 78 17.544 8.849 2.133 1.00 0.00 C ATOM 1253 O PRO A 78 18.485 9.574 2.474 1.00 0.00 O ATOM 1254 CB PRO A 78 17.294 9.815 -0.284 1.00 0.00 C ATOM 1255 CG PRO A 78 17.391 11.340 -0.057 1.00 0.00 C ATOM 1256 CD PRO A 78 16.096 11.690 0.698 1.00 0.00 C ATOM 0 HA PRO A 78 16.060 8.336 0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 78 18.281 9.370 -0.410 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.723 9.584 -1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 78 18.275 11.601 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 78 17.460 11.880 -1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.261 12.485 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 78 15.319 12.037 0.017 1.00 0.00 H new ATOM 1264 N GLY A 79 17.264 7.682 2.738 1.00 0.00 N ATOM 1265 CA GLY A 79 18.003 7.211 3.926 1.00 0.00 C ATOM 1266 C GLY A 79 18.033 5.692 4.021 1.00 0.00 C ATOM 1267 O GLY A 79 19.076 5.053 4.146 1.00 0.00 O ATOM 0 H GLY A 79 16.531 7.046 2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 79 19.024 7.591 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.541 7.620 4.825 1.00 0.00 H new TER 1271 GLY A 79