USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1074 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 130 ASN : amide:sc= 2.24 K(o=4.2,f=-5.5!) USER MOD Set 1.2: A 135 THR OG1 : rot -70:sc= 1.94 USER MOD Set 2.1: A 95 SER OG : rot -136:sc= 1.3 USER MOD Set 2.2: A 128 SER OG : rot -96:sc= 0.535 USER MOD Set 3.1: A 87 TYR OH : rot 176:sc= 1.81 USER MOD Set 3.2: A 112 GLN : amide:sc= 0.807 K(o=2.6,f=0.87) USER MOD Set 4.1: A 48 GLN : amide:sc= 1.12 K(o=2.8,f=-0.26) USER MOD Set 4.2: A 82 GLN : amide:sc= 1.27 K(o=2.8,f=-0.26!) USER MOD Set 4.3: A 84 ASN : amide:sc= 0.365 K(o=2.8,f=-0.26) USER MOD Set 5.1: A 51 TYR OH : rot -2:sc= 1.26 USER MOD Set 5.2: A 149 SER OG : rot 180:sc= 1.05 USER MOD Set 6.1: A 34 THR OG1 : rot 152:sc= 0.216 USER MOD Set 6.2: A 47 TYR OH : rot 30:sc= 0.205 USER MOD Set 7.1: A 15 SER OG : rot -169:sc= 0.595 USER MOD Set 7.2: A 57 SER OG : rot 180:sc= -0.142 USER MOD Single : A 10 THR OG1 : rot 150:sc= 0.00077 USER MOD Single : A 11 MET CE :methyl 165:sc= 0 (180deg=-0.134) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 27 THR OG1 : rot 93:sc= 1.32 USER MOD Single : A 29 GLN : amide:sc= 1.06 K(o=1.1,f=-0.99) USER MOD Single : A 31 HIS : +bothHN:sc= 1.3 K(o=1.3,f=-4.1!) USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.17) USER MOD Single : A 42 SER OG : rot -95:sc= 1.24 USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 1.35 (180deg=1.11) USER MOD Single : A 56 THR OG1 : rot 160:sc= 0 USER MOD Single : A 58 THR OG1 : rot 75:sc= 0.403 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 96:sc= 1.28 USER MOD Single : A 73 GLN : amide:sc= -0.0291 X(o=-0.029,f=-0.044) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 71:sc= 1.23 USER MOD Single : A 96 SER OG : rot 65:sc= 1.19 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 101 CYS SG : rot 64:sc= 1.06 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 105 LYS NZ :NH3+ 167:sc= 0.954 (180deg=0.819) USER MOD Single : A 106 GLN : amide:sc= 0.438 K(o=0.44,f=-5.3!) USER MOD Single : A 114 GLN : amide:sc= 0.98 K(o=0.98,f=-0.32) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0.757 K(o=0.76,f=0) USER MOD Single : A 122 MET CE :methyl -170:sc= -0.277 (180deg=-0.522) USER MOD Single : A 137 SER OG : rot -76:sc= 1.19 USER MOD Single : A 138 ASN : amide:sc= 1.14 K(o=1.1,f=-0.49) USER MOD Single : A 143 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 146 THR OG1 : rot -45:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 5.203 0.266 -0.952 1.00 0.00 N ATOM 21 CA ALA A 2 5.664 1.647 -1.133 1.00 0.00 C ATOM 22 C ALA A 2 5.509 2.130 -2.592 1.00 0.00 C ATOM 23 O ALA A 2 5.272 1.340 -3.507 1.00 0.00 O ATOM 24 CB ALA A 2 7.127 1.717 -0.669 1.00 0.00 C ATOM 0 HA ALA A 2 5.046 2.317 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.499 2.734 -0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.190 1.432 0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.731 1.035 -1.267 1.00 0.00 H new ATOM 30 N GLU A 3 5.693 3.435 -2.816 1.00 0.00 N ATOM 31 CA GLU A 3 5.613 4.094 -4.129 1.00 0.00 C ATOM 32 C GLU A 3 6.929 4.845 -4.405 1.00 0.00 C ATOM 33 O GLU A 3 7.316 5.709 -3.612 1.00 0.00 O ATOM 34 CB GLU A 3 4.394 5.037 -4.146 1.00 0.00 C ATOM 35 CG GLU A 3 4.177 5.714 -5.507 1.00 0.00 C ATOM 36 CD GLU A 3 3.033 6.747 -5.449 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.280 7.904 -5.032 1.00 0.00 O1- ATOM 38 OE2 GLU A 3 1.883 6.416 -5.830 1.00 0.00 O ATOM 0 H GLU A 3 5.910 4.087 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 3 5.480 3.358 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.501 4.471 -3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.524 5.803 -3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.098 6.206 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.948 4.958 -6.258 1.00 0.00 H new ATOM 45 N ILE A 4 7.627 4.501 -5.500 1.00 0.00 N ATOM 46 CA ILE A 4 8.993 4.975 -5.793 1.00 0.00 C ATOM 47 C ILE A 4 9.032 5.897 -7.020 1.00 0.00 C ATOM 48 O ILE A 4 8.697 5.480 -8.132 1.00 0.00 O ATOM 49 CB ILE A 4 9.995 3.809 -6.018 1.00 0.00 C ATOM 50 CG1 ILE A 4 9.817 2.570 -5.110 1.00 0.00 C ATOM 51 CG2 ILE A 4 11.432 4.351 -5.913 1.00 0.00 C ATOM 52 CD1 ILE A 4 9.854 2.808 -3.602 1.00 0.00 C ATOM 0 H ILE A 4 7.255 3.878 -6.217 1.00 0.00 H new ATOM 0 HA ILE A 4 9.296 5.534 -4.908 1.00 0.00 H new ATOM 0 HB ILE A 4 9.778 3.433 -7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 4 8.864 2.103 -5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.598 1.852 -5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 4 12.140 3.537 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 4 11.588 5.119 -6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 4 11.587 4.781 -4.924 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.718 1.861 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.816 3.239 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.055 3.494 -3.322 1.00 0.00 H new ATOM 64 N GLY A 5 9.510 7.129 -6.843 1.00 0.00 N ATOM 65 CA GLY A 5 9.813 8.027 -7.962 1.00 0.00 C ATOM 66 C GLY A 5 11.212 7.706 -8.510 1.00 0.00 C ATOM 67 O GLY A 5 12.173 7.651 -7.742 1.00 0.00 O ATOM 0 H GLY A 5 9.698 7.533 -5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 5 9.067 7.911 -8.748 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.769 9.065 -7.632 1.00 0.00 H new ATOM 71 N ILE A 6 11.338 7.455 -9.813 1.00 0.00 N ATOM 72 CA ILE A 6 12.569 6.958 -10.448 1.00 0.00 C ATOM 73 C ILE A 6 13.049 7.988 -11.469 1.00 0.00 C ATOM 74 O ILE A 6 12.450 8.168 -12.531 1.00 0.00 O ATOM 75 CB ILE A 6 12.353 5.550 -11.055 1.00 0.00 C ATOM 76 CG1 ILE A 6 12.053 4.533 -9.928 1.00 0.00 C ATOM 77 CG2 ILE A 6 13.575 5.140 -11.903 1.00 0.00 C ATOM 78 CD1 ILE A 6 11.791 3.101 -10.414 1.00 0.00 C ATOM 0 H ILE A 6 10.574 7.593 -10.475 1.00 0.00 H new ATOM 0 HA ILE A 6 13.354 6.836 -9.702 1.00 0.00 H new ATOM 0 HB ILE A 6 11.491 5.566 -11.722 1.00 0.00 H new ATOM 0 HG12 ILE A 6 12.894 4.519 -9.235 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.184 4.877 -9.367 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.410 4.148 -12.324 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.715 5.858 -12.711 1.00 0.00 H new ATOM 0 HG23 ILE A 6 14.465 5.124 -11.274 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.590 2.457 -9.558 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.930 3.095 -11.082 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.667 2.732 -10.948 1.00 0.00 H new ATOM 90 N PHE A 7 14.149 8.663 -11.144 1.00 0.00 N ATOM 91 CA PHE A 7 14.633 9.830 -11.879 1.00 0.00 C ATOM 92 C PHE A 7 15.874 9.479 -12.694 1.00 0.00 C ATOM 93 O PHE A 7 16.944 9.184 -12.151 1.00 0.00 O ATOM 94 CB PHE A 7 14.868 10.978 -10.892 1.00 0.00 C ATOM 95 CG PHE A 7 13.624 11.281 -10.081 1.00 0.00 C ATOM 96 CD1 PHE A 7 12.608 12.100 -10.610 1.00 0.00 C ATOM 97 CD2 PHE A 7 13.438 10.658 -8.835 1.00 0.00 C ATOM 98 CE1 PHE A 7 11.414 12.296 -9.892 1.00 0.00 C ATOM 99 CE2 PHE A 7 12.256 10.869 -8.112 1.00 0.00 C ATOM 100 CZ PHE A 7 11.237 11.680 -8.641 1.00 0.00 C ATOM 0 H PHE A 7 14.738 8.411 -10.351 1.00 0.00 H new ATOM 0 HA PHE A 7 13.885 10.159 -12.600 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.687 10.719 -10.220 1.00 0.00 H new ATOM 0 HB3 PHE A 7 15.174 11.871 -11.438 1.00 0.00 H new ATOM 0 HD1 PHE A 7 12.746 12.578 -11.568 1.00 0.00 H new ATOM 0 HD2 PHE A 7 14.208 10.015 -8.434 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.633 12.920 -10.302 1.00 0.00 H new ATOM 0 HE2 PHE A 7 12.128 10.407 -7.144 1.00 0.00 H new ATOM 0 HZ PHE A 7 10.321 11.829 -8.088 1.00 0.00 H new ATOM 110 N VAL A 8 15.689 9.451 -14.015 1.00 0.00 N ATOM 111 CA VAL A 8 16.716 9.050 -14.977 1.00 0.00 C ATOM 112 C VAL A 8 17.580 10.245 -15.377 1.00 0.00 C ATOM 113 O VAL A 8 17.092 11.368 -15.510 1.00 0.00 O ATOM 114 CB VAL A 8 16.077 8.433 -16.235 1.00 0.00 C ATOM 115 CG1 VAL A 8 17.116 7.776 -17.154 1.00 0.00 C ATOM 116 CG2 VAL A 8 15.061 7.338 -15.876 1.00 0.00 C ATOM 0 H VAL A 8 14.806 9.711 -14.454 1.00 0.00 H new ATOM 0 HA VAL A 8 17.346 8.301 -14.496 1.00 0.00 H new ATOM 0 HB VAL A 8 15.592 9.266 -16.744 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.616 7.356 -18.027 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.841 8.523 -17.476 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.630 6.982 -16.613 1.00 0.00 H new ATOM 0 HG21 VAL A 8 14.631 6.927 -16.789 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.562 6.545 -15.321 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.268 7.765 -15.262 1.00 0.00 H new ATOM 126 N GLY A 9 18.857 9.981 -15.653 1.00 0.00 N ATOM 127 CA GLY A 9 19.785 10.940 -16.254 1.00 0.00 C ATOM 128 C GLY A 9 20.605 10.259 -17.349 1.00 0.00 C ATOM 129 O GLY A 9 21.356 9.324 -17.075 1.00 0.00 O ATOM 0 H GLY A 9 19.285 9.075 -15.461 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.232 11.781 -16.673 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.449 11.344 -15.490 1.00 0.00 H new ATOM 133 N THR A 10 20.423 10.676 -18.603 1.00 0.00 N ATOM 134 CA THR A 10 21.054 10.090 -19.805 1.00 0.00 C ATOM 135 C THR A 10 21.013 11.070 -20.993 1.00 0.00 C ATOM 136 O THR A 10 20.411 12.140 -20.904 1.00 0.00 O ATOM 137 CB THR A 10 20.340 8.775 -20.183 1.00 0.00 C ATOM 138 OG1 THR A 10 21.048 8.125 -21.214 1.00 0.00 O ATOM 139 CG2 THR A 10 18.914 8.924 -20.689 1.00 0.00 C ATOM 0 H THR A 10 19.810 11.460 -18.827 1.00 0.00 H new ATOM 0 HA THR A 10 22.099 9.884 -19.573 1.00 0.00 H new ATOM 0 HB THR A 10 20.309 8.217 -19.247 1.00 0.00 H new ATOM 0 HG1 THR A 10 20.926 7.156 -21.134 1.00 0.00 H new ATOM 0 HG21 THR A 10 18.507 7.941 -20.925 1.00 0.00 H new ATOM 0 HG22 THR A 10 18.302 9.394 -19.919 1.00 0.00 H new ATOM 0 HG23 THR A 10 18.909 9.544 -21.586 1.00 0.00 H new ATOM 147 N MET A 11 21.631 10.686 -22.111 1.00 0.00 N ATOM 148 CA MET A 11 21.528 11.344 -23.425 1.00 0.00 C ATOM 149 C MET A 11 21.269 10.327 -24.566 1.00 0.00 C ATOM 150 O MET A 11 21.191 10.726 -25.730 1.00 0.00 O ATOM 151 CB MET A 11 22.750 12.243 -23.686 1.00 0.00 C ATOM 152 CG MET A 11 24.104 11.537 -23.524 1.00 0.00 C ATOM 153 SD MET A 11 25.522 12.334 -24.344 1.00 0.00 S ATOM 154 CE MET A 11 25.295 14.082 -23.911 1.00 0.00 C ATOM 0 H MET A 11 22.246 9.872 -22.132 1.00 0.00 H new ATOM 0 HA MET A 11 20.654 11.995 -23.408 1.00 0.00 H new ATOM 0 HB2 MET A 11 22.682 12.643 -24.698 1.00 0.00 H new ATOM 0 HB3 MET A 11 22.713 13.092 -23.004 1.00 0.00 H new ATOM 0 HG2 MET A 11 24.324 11.455 -22.460 1.00 0.00 H new ATOM 0 HG3 MET A 11 24.010 10.522 -23.909 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.215 14.630 -24.115 1.00 0.00 H new ATOM 0 HE2 MET A 11 24.483 14.502 -24.505 1.00 0.00 H new ATOM 0 HE3 MET A 11 25.050 14.166 -22.852 1.00 0.00 H new ATOM 164 N TYR A 12 21.087 9.033 -24.234 1.00 0.00 N ATOM 165 CA TYR A 12 20.770 7.955 -25.195 1.00 0.00 C ATOM 166 C TYR A 12 19.861 6.864 -24.594 1.00 0.00 C ATOM 167 O TYR A 12 18.801 6.590 -25.161 1.00 0.00 O ATOM 168 CB TYR A 12 22.059 7.308 -25.739 1.00 0.00 C ATOM 169 CG TYR A 12 22.950 8.213 -26.575 1.00 0.00 C ATOM 170 CD1 TYR A 12 22.562 8.565 -27.883 1.00 0.00 C ATOM 171 CD2 TYR A 12 24.172 8.688 -26.056 1.00 0.00 C ATOM 172 CE1 TYR A 12 23.379 9.407 -28.661 1.00 0.00 C ATOM 173 CE2 TYR A 12 24.993 9.531 -26.830 1.00 0.00 C ATOM 174 CZ TYR A 12 24.593 9.898 -28.134 1.00 0.00 C ATOM 175 OH TYR A 12 25.375 10.715 -28.892 1.00 0.00 O ATOM 0 H TYR A 12 21.157 8.701 -23.272 1.00 0.00 H new ATOM 0 HA TYR A 12 20.223 8.428 -26.010 1.00 0.00 H new ATOM 0 HB2 TYR A 12 22.640 6.936 -24.896 1.00 0.00 H new ATOM 0 HB3 TYR A 12 21.783 6.443 -26.342 1.00 0.00 H new ATOM 0 HD1 TYR A 12 21.635 8.188 -28.290 1.00 0.00 H new ATOM 0 HD2 TYR A 12 24.480 8.404 -25.060 1.00 0.00 H new ATOM 0 HE1 TYR A 12 23.077 9.678 -29.662 1.00 0.00 H new ATOM 0 HE2 TYR A 12 25.926 9.896 -26.427 1.00 0.00 H new ATOM 0 HH TYR A 12 26.174 10.966 -28.384 1.00 0.00 H new ATOM 185 N GLY A 13 20.232 6.256 -23.451 1.00 0.00 N ATOM 186 CA GLY A 13 19.352 5.307 -22.738 1.00 0.00 C ATOM 187 C GLY A 13 20.007 4.258 -21.826 1.00 0.00 C ATOM 188 O GLY A 13 19.301 3.380 -21.335 1.00 0.00 O ATOM 0 H GLY A 13 21.135 6.404 -23.001 1.00 0.00 H new ATOM 0 HA2 GLY A 13 18.657 5.888 -22.132 1.00 0.00 H new ATOM 0 HA3 GLY A 13 18.759 4.777 -23.484 1.00 0.00 H new ATOM 192 N ASN A 14 21.321 4.304 -21.571 1.00 0.00 N ATOM 193 CA ASN A 14 22.019 3.242 -20.825 1.00 0.00 C ATOM 194 C ASN A 14 21.529 3.115 -19.373 1.00 0.00 C ATOM 195 O ASN A 14 21.326 2.012 -18.867 1.00 0.00 O ATOM 196 CB ASN A 14 23.533 3.513 -20.886 1.00 0.00 C ATOM 197 CG ASN A 14 24.340 2.260 -20.591 1.00 0.00 C ATOM 198 OD1 ASN A 14 24.833 2.039 -19.495 1.00 0.00 O ATOM 199 ND2 ASN A 14 24.487 1.412 -21.583 1.00 0.00 N ATOM 0 H ASN A 14 21.927 5.068 -21.871 1.00 0.00 H new ATOM 0 HA ASN A 14 21.794 2.284 -21.294 1.00 0.00 H new ATOM 0 HB2 ASN A 14 23.796 3.891 -21.874 1.00 0.00 H new ATOM 0 HB3 ASN A 14 23.793 4.291 -20.168 1.00 0.00 H new ATOM 0 HD21 ASN A 14 25.019 0.553 -21.445 1.00 0.00 H new ATOM 0 HD22 ASN A 14 24.069 1.612 -22.491 1.00 0.00 H new ATOM 206 N SER A 15 21.278 4.255 -18.723 1.00 0.00 N ATOM 207 CA SER A 15 20.679 4.319 -17.382 1.00 0.00 C ATOM 208 C SER A 15 19.152 4.136 -17.410 1.00 0.00 C ATOM 209 O SER A 15 18.594 3.467 -16.540 1.00 0.00 O ATOM 210 CB SER A 15 21.104 5.638 -16.741 1.00 0.00 C ATOM 211 OG SER A 15 20.540 6.698 -17.477 1.00 0.00 O ATOM 0 H SER A 15 21.487 5.173 -19.116 1.00 0.00 H new ATOM 0 HA SER A 15 21.043 3.488 -16.777 1.00 0.00 H new ATOM 0 HB2 SER A 15 20.772 5.679 -15.704 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.191 5.721 -16.731 1.00 0.00 H new ATOM 0 HG SER A 15 20.938 7.545 -17.187 1.00 0.00 H new ATOM 217 N LEU A 16 18.469 4.615 -18.457 1.00 0.00 N ATOM 218 CA LEU A 16 17.034 4.376 -18.684 1.00 0.00 C ATOM 219 C LEU A 16 16.681 2.877 -18.734 1.00 0.00 C ATOM 220 O LEU A 16 15.669 2.471 -18.169 1.00 0.00 O ATOM 221 CB LEU A 16 16.608 5.093 -19.979 1.00 0.00 C ATOM 222 CG LEU A 16 15.117 4.956 -20.353 1.00 0.00 C ATOM 223 CD1 LEU A 16 14.193 5.616 -19.329 1.00 0.00 C ATOM 224 CD2 LEU A 16 14.881 5.639 -21.701 1.00 0.00 C ATOM 0 H LEU A 16 18.902 5.188 -19.182 1.00 0.00 H new ATOM 0 HA LEU A 16 16.482 4.783 -17.837 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.845 6.153 -19.882 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.208 4.706 -20.802 1.00 0.00 H new ATOM 0 HG LEU A 16 14.888 3.891 -20.387 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.156 5.490 -19.640 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.338 5.150 -18.354 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.425 6.679 -19.261 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.830 5.548 -21.976 1.00 0.00 H new ATOM 0 HD22 LEU A 16 15.147 6.693 -21.626 1.00 0.00 H new ATOM 0 HD23 LEU A 16 15.498 5.163 -22.463 1.00 0.00 H new ATOM 236 N LEU A 17 17.537 2.046 -19.337 1.00 0.00 N ATOM 237 CA LEU A 17 17.380 0.586 -19.354 1.00 0.00 C ATOM 238 C LEU A 17 17.266 0.010 -17.932 1.00 0.00 C ATOM 239 O LEU A 17 16.405 -0.828 -17.662 1.00 0.00 O ATOM 240 CB LEU A 17 18.560 0.002 -20.157 1.00 0.00 C ATOM 241 CG LEU A 17 18.548 -1.525 -20.375 1.00 0.00 C ATOM 242 CD1 LEU A 17 19.392 -1.859 -21.609 1.00 0.00 C ATOM 243 CD2 LEU A 17 19.149 -2.317 -19.209 1.00 0.00 C ATOM 0 H LEU A 17 18.367 2.370 -19.833 1.00 0.00 H new ATOM 0 HA LEU A 17 16.446 0.304 -19.840 1.00 0.00 H new ATOM 0 HB2 LEU A 17 18.583 0.487 -21.133 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.486 0.268 -19.647 1.00 0.00 H new ATOM 0 HG LEU A 17 17.500 -1.806 -20.482 1.00 0.00 H new ATOM 0 HD11 LEU A 17 19.389 -2.937 -21.771 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.973 -1.360 -22.483 1.00 0.00 H new ATOM 0 HD13 LEU A 17 20.416 -1.518 -21.453 1.00 0.00 H new ATOM 0 HD21 LEU A 17 19.107 -3.383 -19.433 1.00 0.00 H new ATOM 0 HD22 LEU A 17 20.187 -2.018 -19.063 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.582 -2.114 -18.301 1.00 0.00 H new ATOM 255 N VAL A 18 18.099 0.495 -17.004 1.00 0.00 N ATOM 256 CA VAL A 18 18.024 0.111 -15.589 1.00 0.00 C ATOM 257 C VAL A 18 16.767 0.670 -14.918 1.00 0.00 C ATOM 258 O VAL A 18 16.156 -0.020 -14.110 1.00 0.00 O ATOM 259 CB VAL A 18 19.274 0.556 -14.816 1.00 0.00 C ATOM 260 CG1 VAL A 18 19.179 0.142 -13.344 1.00 0.00 C ATOM 261 CG2 VAL A 18 20.534 -0.067 -15.418 1.00 0.00 C ATOM 0 H VAL A 18 18.842 1.163 -17.211 1.00 0.00 H new ATOM 0 HA VAL A 18 17.972 -0.977 -15.563 1.00 0.00 H new ATOM 0 HB VAL A 18 19.332 1.642 -14.888 1.00 0.00 H new ATOM 0 HG11 VAL A 18 20.075 0.468 -12.816 1.00 0.00 H new ATOM 0 HG12 VAL A 18 18.303 0.606 -12.891 1.00 0.00 H new ATOM 0 HG13 VAL A 18 19.092 -0.942 -13.276 1.00 0.00 H new ATOM 0 HG21 VAL A 18 21.407 0.262 -14.855 1.00 0.00 H new ATOM 0 HG22 VAL A 18 20.460 -1.154 -15.372 1.00 0.00 H new ATOM 0 HG23 VAL A 18 20.634 0.246 -16.457 1.00 0.00 H new ATOM 271 N ALA A 19 16.342 1.887 -15.257 1.00 0.00 N ATOM 272 CA ALA A 19 15.079 2.451 -14.776 1.00 0.00 C ATOM 273 C ALA A 19 13.862 1.576 -15.147 1.00 0.00 C ATOM 274 O ALA A 19 13.011 1.304 -14.299 1.00 0.00 O ATOM 275 CB ALA A 19 14.939 3.867 -15.339 1.00 0.00 C ATOM 0 H ALA A 19 16.863 2.511 -15.873 1.00 0.00 H new ATOM 0 HA ALA A 19 15.099 2.482 -13.687 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.003 4.306 -14.992 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.775 4.478 -14.998 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.939 3.827 -16.428 1.00 0.00 H new ATOM 281 N GLU A 20 13.806 1.090 -16.390 1.00 0.00 N ATOM 282 CA GLU A 20 12.771 0.161 -16.865 1.00 0.00 C ATOM 283 C GLU A 20 12.804 -1.183 -16.109 1.00 0.00 C ATOM 284 O GLU A 20 11.755 -1.674 -15.682 1.00 0.00 O ATOM 285 CB GLU A 20 12.923 -0.079 -18.376 1.00 0.00 C ATOM 286 CG GLU A 20 12.594 1.159 -19.216 1.00 0.00 C ATOM 287 CD GLU A 20 12.598 0.812 -20.717 1.00 0.00 C ATOM 288 OE1 GLU A 20 13.689 0.775 -21.336 1.00 0.00 O ATOM 289 OE2 GLU A 20 11.507 0.573 -21.291 1.00 0.00 O1- ATOM 0 H GLU A 20 14.488 1.333 -17.108 1.00 0.00 H new ATOM 0 HA GLU A 20 11.805 0.624 -16.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.945 -0.393 -18.587 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.269 -0.898 -18.675 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.618 1.550 -18.930 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.323 1.945 -19.017 1.00 0.00 H new ATOM 296 N GLU A 21 13.993 -1.754 -15.874 1.00 0.00 N ATOM 297 CA GLU A 21 14.160 -2.918 -14.988 1.00 0.00 C ATOM 298 C GLU A 21 13.665 -2.643 -13.562 1.00 0.00 C ATOM 299 O GLU A 21 12.911 -3.442 -13.009 1.00 0.00 O ATOM 300 CB GLU A 21 15.638 -3.344 -14.923 1.00 0.00 C ATOM 301 CG GLU A 21 16.071 -4.236 -16.088 1.00 0.00 C ATOM 302 CD GLU A 21 15.491 -5.657 -15.939 1.00 0.00 C ATOM 303 OE1 GLU A 21 16.011 -6.437 -15.104 1.00 0.00 O ATOM 304 OE2 GLU A 21 14.512 -5.994 -16.647 1.00 0.00 O1- ATOM 0 H GLU A 21 14.864 -1.425 -16.290 1.00 0.00 H new ATOM 0 HA GLU A 21 13.555 -3.718 -15.415 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.264 -2.452 -14.907 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.814 -3.873 -13.986 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.737 -3.799 -17.029 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.159 -4.286 -16.128 1.00 0.00 H new ATOM 311 N ALA A 22 14.061 -1.516 -12.963 1.00 0.00 N ATOM 312 CA ALA A 22 13.698 -1.157 -11.598 1.00 0.00 C ATOM 313 C ALA A 22 12.178 -1.035 -11.411 1.00 0.00 C ATOM 314 O ALA A 22 11.621 -1.611 -10.476 1.00 0.00 O ATOM 315 CB ALA A 22 14.426 0.140 -11.218 1.00 0.00 C ATOM 0 H ALA A 22 14.650 -0.822 -13.422 1.00 0.00 H new ATOM 0 HA ALA A 22 14.012 -1.957 -10.928 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.163 0.420 -10.198 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.503 -0.014 -11.285 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.130 0.937 -11.901 1.00 0.00 H new ATOM 321 N GLU A 23 11.494 -0.345 -12.327 1.00 0.00 N ATOM 322 CA GLU A 23 10.032 -0.228 -12.328 1.00 0.00 C ATOM 323 C GLU A 23 9.349 -1.605 -12.385 1.00 0.00 C ATOM 324 O GLU A 23 8.440 -1.872 -11.594 1.00 0.00 O ATOM 325 CB GLU A 23 9.602 0.667 -13.504 1.00 0.00 C ATOM 326 CG GLU A 23 8.163 1.178 -13.369 1.00 0.00 C ATOM 327 CD GLU A 23 7.760 2.088 -14.552 1.00 0.00 C ATOM 328 OE1 GLU A 23 7.519 1.557 -15.665 1.00 0.00 O ATOM 329 OE2 GLU A 23 7.659 3.325 -14.370 1.00 0.00 O1- ATOM 0 H GLU A 23 11.942 0.153 -13.096 1.00 0.00 H new ATOM 0 HA GLU A 23 9.713 0.232 -11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.280 1.518 -13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.698 0.107 -14.434 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.480 0.330 -13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.060 1.730 -12.435 1.00 0.00 H new ATOM 336 N ALA A 24 9.822 -2.505 -13.254 1.00 0.00 N ATOM 337 CA ALA A 24 9.312 -3.872 -13.366 1.00 0.00 C ATOM 338 C ALA A 24 9.562 -4.706 -12.093 1.00 0.00 C ATOM 339 O ALA A 24 8.642 -5.361 -11.608 1.00 0.00 O ATOM 340 CB ALA A 24 9.941 -4.530 -14.601 1.00 0.00 C ATOM 0 H ALA A 24 10.579 -2.300 -13.906 1.00 0.00 H new ATOM 0 HA ALA A 24 8.229 -3.830 -13.480 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.570 -5.550 -14.698 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.675 -3.961 -15.492 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.025 -4.547 -14.492 1.00 0.00 H new ATOM 346 N ILE A 25 10.764 -4.653 -11.508 1.00 0.00 N ATOM 347 CA ILE A 25 11.127 -5.357 -10.271 1.00 0.00 C ATOM 348 C ILE A 25 10.270 -4.916 -9.081 1.00 0.00 C ATOM 349 O ILE A 25 9.766 -5.762 -8.344 1.00 0.00 O ATOM 350 CB ILE A 25 12.630 -5.122 -10.000 1.00 0.00 C ATOM 351 CG1 ILE A 25 13.467 -5.919 -11.024 1.00 0.00 C ATOM 352 CG2 ILE A 25 13.015 -5.511 -8.565 1.00 0.00 C ATOM 353 CD1 ILE A 25 14.899 -5.396 -11.151 1.00 0.00 C ATOM 0 H ILE A 25 11.533 -4.104 -11.892 1.00 0.00 H new ATOM 0 HA ILE A 25 10.935 -6.422 -10.399 1.00 0.00 H new ATOM 0 HB ILE A 25 12.838 -4.058 -10.111 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.493 -6.968 -10.728 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.980 -5.874 -11.998 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.079 -5.332 -8.413 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.441 -4.911 -7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.798 -6.567 -8.404 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.441 -5.993 -11.884 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.879 -4.355 -11.474 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.399 -5.466 -10.185 1.00 0.00 H new ATOM 365 N LEU A 26 10.066 -3.609 -8.897 1.00 0.00 N ATOM 366 CA LEU A 26 9.294 -3.064 -7.779 1.00 0.00 C ATOM 367 C LEU A 26 7.824 -3.462 -7.935 1.00 0.00 C ATOM 368 O LEU A 26 7.210 -3.952 -6.989 1.00 0.00 O ATOM 369 CB LEU A 26 9.498 -1.537 -7.749 1.00 0.00 C ATOM 370 CG LEU A 26 10.906 -1.125 -7.270 1.00 0.00 C ATOM 371 CD1 LEU A 26 11.194 0.311 -7.703 1.00 0.00 C ATOM 372 CD2 LEU A 26 11.042 -1.218 -5.748 1.00 0.00 C ATOM 0 H LEU A 26 10.435 -2.895 -9.525 1.00 0.00 H new ATOM 0 HA LEU A 26 9.633 -3.468 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.328 -1.134 -8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.752 -1.089 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 26 11.620 -1.814 -7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.189 0.601 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.147 0.380 -8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.453 0.979 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.048 -0.919 -5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.315 -0.557 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.860 -2.244 -5.428 1.00 0.00 H new ATOM 384 N THR A 27 7.308 -3.356 -9.163 1.00 0.00 N ATOM 385 CA THR A 27 5.985 -3.855 -9.558 1.00 0.00 C ATOM 386 C THR A 27 5.815 -5.352 -9.245 1.00 0.00 C ATOM 387 O THR A 27 4.822 -5.738 -8.629 1.00 0.00 O ATOM 388 CB THR A 27 5.763 -3.564 -11.051 1.00 0.00 C ATOM 389 OG1 THR A 27 5.789 -2.174 -11.297 1.00 0.00 O ATOM 390 CG2 THR A 27 4.431 -4.078 -11.562 1.00 0.00 C ATOM 0 H THR A 27 7.811 -2.910 -9.930 1.00 0.00 H new ATOM 0 HA THR A 27 5.227 -3.335 -8.973 1.00 0.00 H new ATOM 0 HB THR A 27 6.571 -4.079 -11.570 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.698 -1.902 -11.541 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.332 -3.843 -12.622 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.381 -5.158 -11.424 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.621 -3.603 -11.008 1.00 0.00 H new ATOM 398 N ALA A 28 6.790 -6.195 -9.604 1.00 0.00 N ATOM 399 CA ALA A 28 6.767 -7.637 -9.342 1.00 0.00 C ATOM 400 C ALA A 28 6.807 -7.989 -7.840 1.00 0.00 C ATOM 401 O ALA A 28 6.135 -8.927 -7.404 1.00 0.00 O ATOM 402 CB ALA A 28 7.942 -8.284 -10.087 1.00 0.00 C ATOM 0 H ALA A 28 7.631 -5.888 -10.093 1.00 0.00 H new ATOM 0 HA ALA A 28 5.817 -8.030 -9.705 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.942 -9.359 -9.904 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.842 -8.098 -11.156 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.879 -7.856 -9.731 1.00 0.00 H new ATOM 408 N GLN A 29 7.557 -7.222 -7.038 1.00 0.00 N ATOM 409 CA GLN A 29 7.598 -7.347 -5.571 1.00 0.00 C ATOM 410 C GLN A 29 6.326 -6.827 -4.863 1.00 0.00 C ATOM 411 O GLN A 29 6.144 -7.075 -3.669 1.00 0.00 O ATOM 412 CB GLN A 29 8.851 -6.635 -5.035 1.00 0.00 C ATOM 413 CG GLN A 29 10.127 -7.417 -5.392 1.00 0.00 C ATOM 414 CD GLN A 29 11.391 -6.792 -4.805 1.00 0.00 C ATOM 415 OE1 GLN A 29 11.629 -5.595 -4.873 1.00 0.00 O ATOM 416 NE2 GLN A 29 12.254 -7.584 -4.203 1.00 0.00 N ATOM 0 H GLN A 29 8.164 -6.484 -7.394 1.00 0.00 H new ATOM 0 HA GLN A 29 7.641 -8.412 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.908 -5.630 -5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.777 -6.528 -3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.033 -8.441 -5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.224 -7.469 -6.476 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.069 -8.585 -4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.108 -7.196 -3.801 1.00 0.00 H new ATOM 425 N GLY A 30 5.439 -6.126 -5.582 1.00 0.00 N ATOM 426 CA GLY A 30 4.135 -5.650 -5.095 1.00 0.00 C ATOM 427 C GLY A 30 4.079 -4.145 -4.789 1.00 0.00 C ATOM 428 O GLY A 30 3.009 -3.629 -4.458 1.00 0.00 O ATOM 0 H GLY A 30 5.615 -5.865 -6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.375 -5.885 -5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.876 -6.201 -4.191 1.00 0.00 H new ATOM 432 N HIS A 31 5.210 -3.439 -4.900 1.00 0.00 N ATOM 433 CA HIS A 31 5.307 -1.975 -4.805 1.00 0.00 C ATOM 434 C HIS A 31 4.733 -1.279 -6.056 1.00 0.00 C ATOM 435 O HIS A 31 4.346 -1.921 -7.036 1.00 0.00 O ATOM 436 CB HIS A 31 6.781 -1.579 -4.601 1.00 0.00 C ATOM 437 CG HIS A 31 7.416 -2.137 -3.356 1.00 0.00 C ATOM 438 ND1 HIS A 31 6.939 -1.954 -2.053 1.00 0.00 N ATOM 439 CD2 HIS A 31 8.591 -2.828 -3.311 1.00 0.00 C ATOM 440 CE1 HIS A 31 7.852 -2.531 -1.249 1.00 0.00 C ATOM 441 NE2 HIS A 31 8.850 -3.062 -1.978 1.00 0.00 N ATOM 0 H HIS A 31 6.113 -3.884 -5.064 1.00 0.00 H new ATOM 0 HA HIS A 31 4.712 -1.646 -3.953 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.355 -1.912 -5.466 1.00 0.00 H new ATOM 0 HB3 HIS A 31 6.850 -0.492 -4.572 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.080 -1.482 -1.771 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.197 -3.131 -4.152 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.792 -2.563 -0.171 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.662 -3.555 -1.607 1.00 0.00 H new ATOM 449 N LYS A 32 4.748 0.057 -6.043 1.00 0.00 N ATOM 450 CA LYS A 32 4.426 0.934 -7.176 1.00 0.00 C ATOM 451 C LYS A 32 5.653 1.776 -7.536 1.00 0.00 C ATOM 452 O LYS A 32 6.426 2.157 -6.660 1.00 0.00 O ATOM 453 CB LYS A 32 3.198 1.769 -6.783 1.00 0.00 C ATOM 454 CG LYS A 32 2.670 2.665 -7.910 1.00 0.00 C ATOM 455 CD LYS A 32 1.428 3.422 -7.424 1.00 0.00 C ATOM 456 CE LYS A 32 1.033 4.508 -8.432 1.00 0.00 C ATOM 457 NZ LYS A 32 0.139 5.514 -7.803 1.00 0.00 N1+ ATOM 0 H LYS A 32 4.996 0.582 -5.205 1.00 0.00 H new ATOM 0 HA LYS A 32 4.175 0.371 -8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.402 1.097 -6.463 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.454 2.392 -5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.441 3.371 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.422 2.061 -8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.601 2.726 -7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.627 3.874 -6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.928 4.999 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.531 4.052 -9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.047 6.283 -8.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.759 5.062 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.596 5.902 -6.953 1.00 0.00 H new ATOM 471 N ALA A 33 5.858 2.068 -8.817 1.00 0.00 N ATOM 472 CA ALA A 33 7.019 2.829 -9.285 1.00 0.00 C ATOM 473 C ALA A 33 6.701 3.697 -10.519 1.00 0.00 C ATOM 474 O ALA A 33 5.786 3.386 -11.288 1.00 0.00 O ATOM 475 CB ALA A 33 8.146 1.829 -9.561 1.00 0.00 C ATOM 0 H ALA A 33 5.224 1.784 -9.564 1.00 0.00 H new ATOM 0 HA ALA A 33 7.325 3.538 -8.516 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.029 2.363 -9.912 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.388 1.292 -8.644 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.824 1.119 -10.323 1.00 0.00 H new ATOM 481 N THR A 34 7.478 4.772 -10.702 1.00 0.00 N ATOM 482 CA THR A 34 7.232 5.802 -11.726 1.00 0.00 C ATOM 483 C THR A 34 8.547 6.318 -12.313 1.00 0.00 C ATOM 484 O THR A 34 9.228 7.136 -11.691 1.00 0.00 O ATOM 485 CB THR A 34 6.449 6.995 -11.139 1.00 0.00 C ATOM 486 OG1 THR A 34 5.338 6.585 -10.366 1.00 0.00 O ATOM 487 CG2 THR A 34 5.915 7.903 -12.249 1.00 0.00 C ATOM 0 H THR A 34 8.307 4.956 -10.137 1.00 0.00 H new ATOM 0 HA THR A 34 6.641 5.334 -12.513 1.00 0.00 H new ATOM 0 HB THR A 34 7.159 7.527 -10.506 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.153 7.257 -9.678 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.367 8.735 -11.806 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.748 8.288 -12.836 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.248 7.333 -12.896 1.00 0.00 H new ATOM 495 N VAL A 35 8.924 5.837 -13.500 1.00 0.00 N ATOM 496 CA VAL A 35 10.086 6.326 -14.258 1.00 0.00 C ATOM 497 C VAL A 35 9.798 7.689 -14.896 1.00 0.00 C ATOM 498 O VAL A 35 8.745 7.896 -15.510 1.00 0.00 O ATOM 499 CB VAL A 35 10.493 5.307 -15.343 1.00 0.00 C ATOM 500 CG1 VAL A 35 11.611 5.807 -16.269 1.00 0.00 C ATOM 501 CG2 VAL A 35 11.023 4.028 -14.687 1.00 0.00 C ATOM 0 H VAL A 35 8.424 5.084 -13.972 1.00 0.00 H new ATOM 0 HA VAL A 35 10.913 6.446 -13.558 1.00 0.00 H new ATOM 0 HB VAL A 35 9.591 5.139 -15.931 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.844 5.038 -17.006 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.283 6.712 -16.780 1.00 0.00 H new ATOM 0 HG13 VAL A 35 12.501 6.026 -15.679 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.308 3.314 -15.460 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.893 4.267 -14.075 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.246 3.592 -14.059 1.00 0.00 H new ATOM 511 N PHE A 36 10.786 8.582 -14.823 1.00 0.00 N ATOM 512 CA PHE A 36 10.830 9.868 -15.515 1.00 0.00 C ATOM 513 C PHE A 36 12.134 9.966 -16.320 1.00 0.00 C ATOM 514 O PHE A 36 13.222 10.022 -15.743 1.00 0.00 O ATOM 515 CB PHE A 36 10.727 11.017 -14.498 1.00 0.00 C ATOM 516 CG PHE A 36 9.502 11.008 -13.601 1.00 0.00 C ATOM 517 CD1 PHE A 36 8.276 11.509 -14.079 1.00 0.00 C ATOM 518 CD2 PHE A 36 9.594 10.544 -12.274 1.00 0.00 C ATOM 519 CE1 PHE A 36 7.155 11.561 -13.233 1.00 0.00 C ATOM 520 CE2 PHE A 36 8.474 10.598 -11.423 1.00 0.00 C ATOM 521 CZ PHE A 36 7.256 11.115 -11.903 1.00 0.00 C ATOM 0 H PHE A 36 11.616 8.419 -14.253 1.00 0.00 H new ATOM 0 HA PHE A 36 9.986 9.946 -16.200 1.00 0.00 H new ATOM 0 HB2 PHE A 36 11.615 10.996 -13.866 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.746 11.961 -15.043 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.197 11.854 -15.099 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.528 10.145 -11.908 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.216 11.944 -13.604 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.549 10.244 -10.405 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.398 11.169 -11.249 1.00 0.00 H new ATOM 531 N GLU A 37 12.039 9.941 -17.653 1.00 0.00 N ATOM 532 CA GLU A 37 13.183 9.884 -18.581 1.00 0.00 C ATOM 533 C GLU A 37 13.880 11.243 -18.833 1.00 0.00 C ATOM 534 O GLU A 37 15.044 11.277 -19.234 1.00 0.00 O ATOM 535 CB GLU A 37 12.762 9.227 -19.913 1.00 0.00 C ATOM 536 CG GLU A 37 11.686 9.961 -20.733 1.00 0.00 C ATOM 537 CD GLU A 37 10.256 9.614 -20.274 1.00 0.00 C ATOM 538 OE1 GLU A 37 9.768 10.221 -19.288 1.00 0.00 O ATOM 539 OE2 GLU A 37 9.610 8.739 -20.900 1.00 0.00 O1- ATOM 0 H GLU A 37 11.140 9.960 -18.134 1.00 0.00 H new ATOM 0 HA GLU A 37 13.933 9.269 -18.084 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.650 9.119 -20.535 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.400 8.222 -19.698 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.840 11.037 -20.649 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.798 9.704 -21.786 1.00 0.00 H new ATOM 546 N ASP A 38 13.185 12.355 -18.576 1.00 0.00 N ATOM 547 CA ASP A 38 13.661 13.741 -18.749 1.00 0.00 C ATOM 548 C ASP A 38 13.033 14.646 -17.656 1.00 0.00 C ATOM 549 O ASP A 38 12.235 15.542 -17.966 1.00 0.00 O ATOM 550 CB ASP A 38 13.332 14.188 -20.184 1.00 0.00 C ATOM 551 CG ASP A 38 13.787 15.622 -20.505 1.00 0.00 C ATOM 552 OD1 ASP A 38 14.915 16.013 -20.125 1.00 0.00 O1- ATOM 553 OD2 ASP A 38 13.034 16.349 -21.201 1.00 0.00 O ATOM 0 H ASP A 38 12.228 12.317 -18.224 1.00 0.00 H new ATOM 0 HA ASP A 38 14.741 13.816 -18.622 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.804 13.501 -20.886 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.256 14.114 -20.340 1.00 0.00 H new ATOM 558 N PRO A 39 13.284 14.354 -16.361 1.00 0.00 N ATOM 559 CA PRO A 39 12.583 14.987 -15.246 1.00 0.00 C ATOM 560 C PRO A 39 12.938 16.464 -15.022 1.00 0.00 C ATOM 561 O PRO A 39 14.009 16.957 -15.382 1.00 0.00 O ATOM 562 CB PRO A 39 12.950 14.159 -14.012 1.00 0.00 C ATOM 563 CG PRO A 39 14.340 13.619 -14.350 1.00 0.00 C ATOM 564 CD PRO A 39 14.246 13.382 -15.856 1.00 0.00 C ATOM 0 HA PRO A 39 11.514 15.001 -15.459 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.964 14.769 -13.108 1.00 0.00 H new ATOM 0 HB3 PRO A 39 12.236 13.353 -13.842 1.00 0.00 H new ATOM 0 HG2 PRO A 39 15.125 14.333 -14.100 1.00 0.00 H new ATOM 0 HG3 PRO A 39 14.561 12.700 -13.808 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.218 13.513 -16.332 1.00 0.00 H new ATOM 0 HD3 PRO A 39 13.920 12.364 -16.070 1.00 0.00 H new ATOM 572 N GLU A 40 12.040 17.142 -14.312 1.00 0.00 N ATOM 573 CA GLU A 40 12.164 18.505 -13.793 1.00 0.00 C ATOM 574 C GLU A 40 11.652 18.534 -12.335 1.00 0.00 C ATOM 575 O GLU A 40 11.000 17.588 -11.887 1.00 0.00 O ATOM 576 CB GLU A 40 11.392 19.440 -14.753 1.00 0.00 C ATOM 577 CG GLU A 40 11.573 20.952 -14.536 1.00 0.00 C ATOM 578 CD GLU A 40 10.625 21.595 -13.501 1.00 0.00 C ATOM 579 OE1 GLU A 40 9.583 20.998 -13.138 1.00 0.00 O ATOM 580 OE2 GLU A 40 10.929 22.725 -13.049 1.00 0.00 O1- ATOM 0 H GLU A 40 11.142 16.725 -14.066 1.00 0.00 H new ATOM 0 HA GLU A 40 13.197 18.852 -13.757 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.693 19.204 -15.774 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.330 19.209 -14.672 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.601 21.136 -14.224 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.435 21.457 -15.492 1.00 0.00 H new ATOM 587 N LEU A 41 11.965 19.583 -11.564 1.00 0.00 N ATOM 588 CA LEU A 41 11.567 19.759 -10.150 1.00 0.00 C ATOM 589 C LEU A 41 10.132 19.284 -9.850 1.00 0.00 C ATOM 590 O LEU A 41 9.930 18.513 -8.910 1.00 0.00 O ATOM 591 CB LEU A 41 11.773 21.248 -9.810 1.00 0.00 C ATOM 592 CG LEU A 41 11.717 21.683 -8.334 1.00 0.00 C ATOM 593 CD1 LEU A 41 12.023 23.178 -8.249 1.00 0.00 C ATOM 594 CD2 LEU A 41 10.354 21.494 -7.663 1.00 0.00 C ATOM 0 H LEU A 41 12.521 20.363 -11.914 1.00 0.00 H new ATOM 0 HA LEU A 41 12.187 19.126 -9.515 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.744 21.546 -10.206 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.019 21.818 -10.352 1.00 0.00 H new ATOM 0 HG LEU A 41 12.440 21.050 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.986 23.498 -7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 41 13.017 23.369 -8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.284 23.734 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.409 21.827 -6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.603 22.080 -8.193 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.078 20.440 -7.691 1.00 0.00 H new ATOM 606 N SER A 42 9.152 19.680 -10.665 1.00 0.00 N ATOM 607 CA SER A 42 7.735 19.314 -10.520 1.00 0.00 C ATOM 608 C SER A 42 7.434 17.801 -10.549 1.00 0.00 C ATOM 609 O SER A 42 6.375 17.388 -10.070 1.00 0.00 O ATOM 610 CB SER A 42 6.891 20.034 -11.580 1.00 0.00 C ATOM 611 OG SER A 42 7.338 19.746 -12.891 1.00 0.00 O ATOM 0 H SER A 42 9.324 20.283 -11.470 1.00 0.00 H new ATOM 0 HA SER A 42 7.464 19.640 -9.516 1.00 0.00 H new ATOM 0 HB2 SER A 42 5.848 19.736 -11.478 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.933 21.110 -11.409 1.00 0.00 H new ATOM 0 HG SER A 42 7.958 20.445 -13.186 1.00 0.00 H new ATOM 617 N ASP A 43 8.348 16.966 -11.053 1.00 0.00 N ATOM 618 CA ASP A 43 8.246 15.505 -11.009 1.00 0.00 C ATOM 619 C ASP A 43 8.753 14.917 -9.677 1.00 0.00 C ATOM 620 O ASP A 43 8.220 13.910 -9.212 1.00 0.00 O ATOM 621 CB ASP A 43 9.033 14.880 -12.168 1.00 0.00 C ATOM 622 CG ASP A 43 8.524 15.352 -13.542 1.00 0.00 C ATOM 623 OD1 ASP A 43 7.310 15.191 -13.834 1.00 0.00 O ATOM 624 OD2 ASP A 43 9.341 15.865 -14.344 1.00 0.00 O1- ATOM 0 H ASP A 43 9.197 17.295 -11.513 1.00 0.00 H new ATOM 0 HA ASP A 43 7.187 15.263 -11.100 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.088 15.135 -12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.960 13.794 -12.110 1.00 0.00 H new ATOM 629 N TRP A 44 9.747 15.554 -9.042 1.00 0.00 N ATOM 630 CA TRP A 44 10.261 15.177 -7.717 1.00 0.00 C ATOM 631 C TRP A 44 9.396 15.722 -6.570 1.00 0.00 C ATOM 632 O TRP A 44 9.169 15.036 -5.571 1.00 0.00 O ATOM 633 CB TRP A 44 11.709 15.668 -7.586 1.00 0.00 C ATOM 634 CG TRP A 44 12.396 15.342 -6.301 1.00 0.00 C ATOM 635 CD1 TRP A 44 12.238 15.982 -5.119 1.00 0.00 C ATOM 636 CD2 TRP A 44 13.378 14.291 -6.064 1.00 0.00 C ATOM 637 NE1 TRP A 44 13.019 15.368 -4.158 1.00 0.00 N ATOM 638 CE2 TRP A 44 13.740 14.316 -4.688 1.00 0.00 C ATOM 639 CE3 TRP A 44 13.989 13.314 -6.880 1.00 0.00 C ATOM 640 CZ2 TRP A 44 14.654 13.401 -4.151 1.00 0.00 C ATOM 641 CZ3 TRP A 44 14.912 12.393 -6.347 1.00 0.00 C ATOM 642 CH2 TRP A 44 15.263 12.455 -4.992 1.00 0.00 C ATOM 0 H TRP A 44 10.225 16.361 -9.442 1.00 0.00 H new ATOM 0 HA TRP A 44 10.225 14.091 -7.636 1.00 0.00 H new ATOM 0 HB2 TRP A 44 12.291 15.244 -8.404 1.00 0.00 H new ATOM 0 HB3 TRP A 44 11.718 16.750 -7.716 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.601 16.838 -4.953 1.00 0.00 H new ATOM 0 HE1 TRP A 44 13.058 15.656 -3.180 1.00 0.00 H new ATOM 0 HE3 TRP A 44 13.744 13.272 -7.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 14.889 13.423 -3.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 15.350 11.638 -6.984 1.00 0.00 H new ATOM 0 HH2 TRP A 44 16.002 11.775 -4.594 1.00 0.00 H new ATOM 653 N LEU A 45 8.870 16.939 -6.745 1.00 0.00 N ATOM 654 CA LEU A 45 8.007 17.679 -5.819 1.00 0.00 C ATOM 655 C LEU A 45 6.998 16.801 -5.034 1.00 0.00 C ATOM 656 O LEU A 45 7.010 16.892 -3.801 1.00 0.00 O ATOM 657 CB LEU A 45 7.373 18.831 -6.638 1.00 0.00 C ATOM 658 CG LEU A 45 6.468 19.865 -5.944 1.00 0.00 C ATOM 659 CD1 LEU A 45 5.191 19.320 -5.305 1.00 0.00 C ATOM 660 CD2 LEU A 45 7.238 20.682 -4.910 1.00 0.00 C ATOM 0 H LEU A 45 9.049 17.470 -7.597 1.00 0.00 H new ATOM 0 HA LEU A 45 8.597 18.089 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.188 19.379 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.790 18.376 -7.439 1.00 0.00 H new ATOM 0 HG LEU A 45 6.139 20.496 -6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.635 20.138 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.575 18.846 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.451 18.586 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.566 21.401 -4.441 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.645 20.016 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.054 21.213 -5.400 1.00 0.00 H new ATOM 672 N PRO A 46 6.167 15.937 -5.667 1.00 0.00 N ATOM 673 CA PRO A 46 5.139 15.156 -4.968 1.00 0.00 C ATOM 674 C PRO A 46 5.633 13.881 -4.237 1.00 0.00 C ATOM 675 O PRO A 46 4.803 13.130 -3.725 1.00 0.00 O ATOM 676 CB PRO A 46 4.101 14.819 -6.048 1.00 0.00 C ATOM 677 CG PRO A 46 4.941 14.705 -7.311 1.00 0.00 C ATOM 678 CD PRO A 46 5.970 15.807 -7.109 1.00 0.00 C ATOM 0 HA PRO A 46 4.740 15.749 -4.145 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.577 13.889 -5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.344 15.598 -6.136 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.407 13.724 -7.404 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.347 14.862 -8.211 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.907 15.558 -7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.621 16.746 -7.538 1.00 0.00 H new ATOM 686 N TYR A 47 6.947 13.610 -4.162 1.00 0.00 N ATOM 687 CA TYR A 47 7.513 12.405 -3.514 1.00 0.00 C ATOM 688 C TYR A 47 8.213 12.669 -2.165 1.00 0.00 C ATOM 689 O TYR A 47 8.739 11.741 -1.548 1.00 0.00 O ATOM 690 CB TYR A 47 8.448 11.671 -4.490 1.00 0.00 C ATOM 691 CG TYR A 47 7.732 10.982 -5.634 1.00 0.00 C ATOM 692 CD1 TYR A 47 7.460 11.687 -6.820 1.00 0.00 C ATOM 693 CD2 TYR A 47 7.321 9.641 -5.498 1.00 0.00 C ATOM 694 CE1 TYR A 47 6.760 11.063 -7.871 1.00 0.00 C ATOM 695 CE2 TYR A 47 6.629 9.011 -6.553 1.00 0.00 C ATOM 696 CZ TYR A 47 6.336 9.724 -7.738 1.00 0.00 C ATOM 697 OH TYR A 47 5.629 9.129 -8.737 1.00 0.00 O ATOM 0 H TYR A 47 7.659 14.227 -4.553 1.00 0.00 H new ATOM 0 HA TYR A 47 6.663 11.770 -3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.161 12.386 -4.900 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.023 10.929 -3.936 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.789 12.710 -6.925 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.535 9.098 -4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.548 11.609 -8.778 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.322 7.980 -6.455 1.00 0.00 H new ATOM 0 HH TYR A 47 5.889 9.518 -9.598 1.00 0.00 H new ATOM 707 N GLN A 48 8.206 13.911 -1.670 1.00 0.00 N ATOM 708 CA GLN A 48 8.913 14.321 -0.442 1.00 0.00 C ATOM 709 C GLN A 48 8.505 13.562 0.840 1.00 0.00 C ATOM 710 O GLN A 48 9.308 13.446 1.763 1.00 0.00 O ATOM 711 CB GLN A 48 8.703 15.822 -0.230 1.00 0.00 C ATOM 712 CG GLN A 48 9.404 16.658 -1.305 1.00 0.00 C ATOM 713 CD GLN A 48 9.142 18.138 -1.064 1.00 0.00 C ATOM 714 OE1 GLN A 48 9.713 18.759 -0.177 1.00 0.00 O ATOM 715 NE2 GLN A 48 8.243 18.727 -1.819 1.00 0.00 N ATOM 0 H GLN A 48 7.701 14.677 -2.116 1.00 0.00 H new ATOM 0 HA GLN A 48 9.961 14.069 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.636 16.043 -0.238 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.080 16.105 0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.476 16.462 -1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.043 16.372 -2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.772 18.202 -2.556 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.016 19.710 -1.669 1.00 0.00 H new ATOM 724 N ASP A 49 7.282 13.030 0.900 1.00 0.00 N ATOM 725 CA ASP A 49 6.744 12.235 2.019 1.00 0.00 C ATOM 726 C ASP A 49 6.801 10.707 1.778 1.00 0.00 C ATOM 727 O ASP A 49 6.226 9.928 2.544 1.00 0.00 O ATOM 728 CB ASP A 49 5.316 12.718 2.335 1.00 0.00 C ATOM 729 CG ASP A 49 4.283 12.344 1.254 1.00 0.00 C ATOM 730 OD1 ASP A 49 4.500 12.674 0.063 1.00 0.00 O ATOM 731 OD2 ASP A 49 3.235 11.748 1.601 1.00 0.00 O1- ATOM 0 H ASP A 49 6.608 13.143 0.143 1.00 0.00 H new ATOM 0 HA ASP A 49 7.385 12.399 2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.001 12.294 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.327 13.801 2.456 1.00 0.00 H new ATOM 736 N LYS A 50 7.489 10.289 0.709 1.00 0.00 N ATOM 737 CA LYS A 50 7.563 8.922 0.163 1.00 0.00 C ATOM 738 C LYS A 50 9.022 8.563 -0.187 1.00 0.00 C ATOM 739 O LYS A 50 9.962 9.170 0.333 1.00 0.00 O ATOM 740 CB LYS A 50 6.590 8.817 -1.036 1.00 0.00 C ATOM 741 CG LYS A 50 5.116 8.907 -0.595 1.00 0.00 C ATOM 742 CD LYS A 50 4.130 8.919 -1.769 1.00 0.00 C ATOM 743 CE LYS A 50 4.256 10.218 -2.577 1.00 0.00 C ATOM 744 NZ LYS A 50 3.234 10.294 -3.648 1.00 0.00 N1+ ATOM 0 H LYS A 50 8.050 10.941 0.161 1.00 0.00 H new ATOM 0 HA LYS A 50 7.250 8.186 0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.805 9.614 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.756 7.873 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.886 8.062 0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.976 9.811 -0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.319 8.063 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.111 8.816 -1.395 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.150 11.074 -1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.251 10.278 -3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.504 11.027 -4.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.168 9.375 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.312 10.533 -3.231 1.00 0.00 H new ATOM 758 N TYR A 51 9.218 7.552 -1.036 1.00 0.00 N ATOM 759 CA TYR A 51 10.538 7.063 -1.443 1.00 0.00 C ATOM 760 C TYR A 51 10.829 7.365 -2.922 1.00 0.00 C ATOM 761 O TYR A 51 9.930 7.587 -3.737 1.00 0.00 O ATOM 762 CB TYR A 51 10.636 5.556 -1.188 1.00 0.00 C ATOM 763 CG TYR A 51 10.472 5.084 0.243 1.00 0.00 C ATOM 764 CD1 TYR A 51 9.198 4.749 0.737 1.00 0.00 C ATOM 765 CD2 TYR A 51 11.615 4.846 1.029 1.00 0.00 C ATOM 766 CE1 TYR A 51 9.067 4.152 2.005 1.00 0.00 C ATOM 767 CE2 TYR A 51 11.488 4.252 2.299 1.00 0.00 C ATOM 768 CZ TYR A 51 10.215 3.888 2.783 1.00 0.00 C ATOM 769 OH TYR A 51 10.113 3.249 3.978 1.00 0.00 O ATOM 0 H TYR A 51 8.449 7.040 -1.468 1.00 0.00 H new ATOM 0 HA TYR A 51 11.285 7.586 -0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.879 5.060 -1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 51 11.607 5.215 -1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.319 4.950 0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 51 12.591 5.120 0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.088 3.896 2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 51 12.366 4.075 2.903 1.00 0.00 H new ATOM 0 HH TYR A 51 9.170 3.067 4.172 1.00 0.00 H new ATOM 779 N VAL A 52 12.117 7.364 -3.268 1.00 0.00 N ATOM 780 CA VAL A 52 12.646 7.733 -4.595 1.00 0.00 C ATOM 781 C VAL A 52 13.920 6.947 -4.932 1.00 0.00 C ATOM 782 O VAL A 52 14.432 6.216 -4.085 1.00 0.00 O ATOM 783 CB VAL A 52 12.912 9.246 -4.686 1.00 0.00 C ATOM 784 CG1 VAL A 52 11.644 10.096 -4.544 1.00 0.00 C ATOM 785 CG2 VAL A 52 13.918 9.717 -3.649 1.00 0.00 C ATOM 0 H VAL A 52 12.852 7.098 -2.613 1.00 0.00 H new ATOM 0 HA VAL A 52 11.884 7.472 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 52 13.318 9.389 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.904 11.152 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.943 9.839 -5.338 1.00 0.00 H new ATOM 0 HG13 VAL A 52 11.183 9.902 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.072 10.791 -3.753 1.00 0.00 H new ATOM 0 HG22 VAL A 52 13.539 9.500 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.865 9.198 -3.799 1.00 0.00 H new ATOM 795 N LEU A 53 14.446 7.072 -6.154 1.00 0.00 N ATOM 796 CA LEU A 53 15.682 6.416 -6.601 1.00 0.00 C ATOM 797 C LEU A 53 16.294 7.139 -7.806 1.00 0.00 C ATOM 798 O LEU A 53 15.601 7.631 -8.700 1.00 0.00 O ATOM 799 CB LEU A 53 15.353 4.926 -6.821 1.00 0.00 C ATOM 800 CG LEU A 53 16.207 3.950 -7.662 1.00 0.00 C ATOM 801 CD1 LEU A 53 16.199 4.208 -9.165 1.00 0.00 C ATOM 802 CD2 LEU A 53 17.645 3.788 -7.189 1.00 0.00 C ATOM 0 H LEU A 53 14.015 7.646 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 53 16.470 6.474 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.282 4.484 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.353 4.900 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 53 15.684 3.010 -7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 53 16.827 3.470 -9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.179 4.131 -9.542 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.585 5.208 -9.365 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.165 3.085 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A 53 18.150 4.754 -7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.651 3.409 -6.167 1.00 0.00 H new ATOM 814 N VAL A 54 17.625 7.188 -7.799 1.00 0.00 N ATOM 815 CA VAL A 54 18.472 7.863 -8.788 1.00 0.00 C ATOM 816 C VAL A 54 19.068 6.830 -9.743 1.00 0.00 C ATOM 817 O VAL A 54 19.643 5.836 -9.294 1.00 0.00 O ATOM 818 CB VAL A 54 19.623 8.565 -8.055 1.00 0.00 C ATOM 819 CG1 VAL A 54 20.505 9.383 -9.005 1.00 0.00 C ATOM 820 CG2 VAL A 54 19.130 9.491 -6.933 1.00 0.00 C ATOM 0 H VAL A 54 18.172 6.736 -7.067 1.00 0.00 H new ATOM 0 HA VAL A 54 17.875 8.583 -9.347 1.00 0.00 H new ATOM 0 HB VAL A 54 20.212 7.758 -7.619 1.00 0.00 H new ATOM 0 HG11 VAL A 54 21.305 9.860 -8.439 1.00 0.00 H new ATOM 0 HG12 VAL A 54 20.937 8.724 -9.758 1.00 0.00 H new ATOM 0 HG13 VAL A 54 19.901 10.147 -9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 54 19.985 9.962 -6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 54 18.483 10.260 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 54 18.572 8.909 -6.200 1.00 0.00 H new ATOM 830 N VAL A 55 18.972 7.066 -11.053 1.00 0.00 N ATOM 831 CA VAL A 55 19.537 6.181 -12.083 1.00 0.00 C ATOM 832 C VAL A 55 20.146 7.029 -13.210 1.00 0.00 C ATOM 833 O VAL A 55 19.490 7.385 -14.187 1.00 0.00 O ATOM 834 CB VAL A 55 18.507 5.102 -12.470 1.00 0.00 C ATOM 835 CG1 VAL A 55 17.201 5.619 -13.074 1.00 0.00 C ATOM 836 CG2 VAL A 55 19.120 4.046 -13.384 1.00 0.00 C ATOM 0 H VAL A 55 18.496 7.883 -11.436 1.00 0.00 H new ATOM 0 HA VAL A 55 20.382 5.597 -11.717 1.00 0.00 H new ATOM 0 HB VAL A 55 18.229 4.657 -11.514 1.00 0.00 H new ATOM 0 HG11 VAL A 55 16.550 4.777 -13.309 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.703 6.274 -12.359 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.417 6.176 -13.986 1.00 0.00 H new ATOM 0 HG21 VAL A 55 18.365 3.301 -13.637 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.482 4.520 -14.296 1.00 0.00 H new ATOM 0 HG23 VAL A 55 19.952 3.561 -12.873 1.00 0.00 H new ATOM 846 N THR A 56 21.433 7.370 -13.065 1.00 0.00 N ATOM 847 CA THR A 56 22.102 8.388 -13.908 1.00 0.00 C ATOM 848 C THR A 56 23.481 7.982 -14.450 1.00 0.00 C ATOM 849 O THR A 56 24.324 7.494 -13.699 1.00 0.00 O ATOM 850 CB THR A 56 22.211 9.670 -13.056 1.00 0.00 C ATOM 851 OG1 THR A 56 20.916 10.105 -12.723 1.00 0.00 O ATOM 852 CG2 THR A 56 22.887 10.856 -13.732 1.00 0.00 C ATOM 0 H THR A 56 22.045 6.953 -12.363 1.00 0.00 H new ATOM 0 HA THR A 56 21.499 8.529 -14.805 1.00 0.00 H new ATOM 0 HB THR A 56 22.826 9.381 -12.204 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.961 10.700 -11.945 1.00 0.00 H new ATOM 0 HG21 THR A 56 22.910 11.702 -13.045 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.906 10.585 -14.008 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.329 11.131 -14.627 1.00 0.00 H new ATOM 860 N SER A 57 23.710 8.218 -15.751 1.00 0.00 N ATOM 861 CA SER A 57 25.006 8.049 -16.451 1.00 0.00 C ATOM 862 C SER A 57 25.978 9.222 -16.198 1.00 0.00 C ATOM 863 O SER A 57 25.730 10.052 -15.327 1.00 0.00 O ATOM 864 CB SER A 57 24.787 7.835 -17.959 1.00 0.00 C ATOM 865 OG SER A 57 23.834 6.815 -18.181 1.00 0.00 O ATOM 0 H SER A 57 22.972 8.545 -16.375 1.00 0.00 H new ATOM 0 HA SER A 57 25.475 7.158 -16.034 1.00 0.00 H new ATOM 0 HB2 SER A 57 24.448 8.764 -18.419 1.00 0.00 H new ATOM 0 HB3 SER A 57 25.731 7.569 -18.435 1.00 0.00 H new ATOM 0 HG SER A 57 23.705 6.692 -19.145 1.00 0.00 H new ATOM 871 N THR A 58 27.072 9.340 -16.964 1.00 0.00 N ATOM 872 CA THR A 58 28.034 10.462 -16.872 1.00 0.00 C ATOM 873 C THR A 58 28.345 11.049 -18.265 1.00 0.00 C ATOM 874 O THR A 58 28.234 10.360 -19.276 1.00 0.00 O ATOM 875 CB THR A 58 29.296 9.985 -16.127 1.00 0.00 C ATOM 876 OG1 THR A 58 28.938 9.471 -14.865 1.00 0.00 O ATOM 877 CG2 THR A 58 30.325 11.073 -15.835 1.00 0.00 C ATOM 0 H THR A 58 27.322 8.653 -17.676 1.00 0.00 H new ATOM 0 HA THR A 58 27.593 11.278 -16.300 1.00 0.00 H new ATOM 0 HB THR A 58 29.740 9.252 -16.800 1.00 0.00 H new ATOM 0 HG1 THR A 58 28.534 8.585 -14.975 1.00 0.00 H new ATOM 0 HG21 THR A 58 31.175 10.638 -15.309 1.00 0.00 H new ATOM 0 HG22 THR A 58 30.665 11.513 -16.772 1.00 0.00 H new ATOM 0 HG23 THR A 58 29.871 11.846 -15.215 1.00 0.00 H new ATOM 885 N THR A 59 28.712 12.331 -18.327 1.00 0.00 N ATOM 886 CA THR A 59 29.008 13.126 -19.536 1.00 0.00 C ATOM 887 C THR A 59 30.170 14.082 -19.239 1.00 0.00 C ATOM 888 O THR A 59 30.833 13.910 -18.224 1.00 0.00 O ATOM 889 CB THR A 59 27.772 13.939 -19.977 1.00 0.00 C ATOM 890 OG1 THR A 59 27.351 14.776 -18.928 1.00 0.00 O ATOM 891 CG2 THR A 59 26.611 13.050 -20.385 1.00 0.00 C ATOM 0 H THR A 59 28.820 12.886 -17.478 1.00 0.00 H new ATOM 0 HA THR A 59 29.279 12.446 -20.344 1.00 0.00 H new ATOM 0 HB THR A 59 28.072 14.527 -20.844 1.00 0.00 H new ATOM 0 HG1 THR A 59 26.567 15.290 -19.214 1.00 0.00 H new ATOM 0 HG21 THR A 59 25.767 13.670 -20.686 1.00 0.00 H new ATOM 0 HG22 THR A 59 26.913 12.417 -21.220 1.00 0.00 H new ATOM 0 HG23 THR A 59 26.319 12.424 -19.542 1.00 0.00 H new ATOM 930 N ASP A 63 30.528 14.655 -15.552 1.00 0.00 N ATOM 931 CA ASP A 63 29.383 15.517 -15.227 1.00 0.00 C ATOM 932 C ASP A 63 28.005 14.830 -15.343 1.00 0.00 C ATOM 933 O ASP A 63 27.870 13.729 -15.885 1.00 0.00 O ATOM 934 CB ASP A 63 29.430 16.758 -16.134 1.00 0.00 C ATOM 935 CG ASP A 63 28.625 17.953 -15.577 1.00 0.00 C ATOM 936 OD1 ASP A 63 28.327 17.989 -14.355 1.00 0.00 O ATOM 937 OD2 ASP A 63 28.313 18.874 -16.370 1.00 0.00 O1- ATOM 0 HA ASP A 63 29.481 15.784 -14.175 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.468 17.060 -16.271 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.042 16.495 -17.118 1.00 0.00 H new ATOM 942 N LEU A 64 26.978 15.524 -14.850 1.00 0.00 N ATOM 943 CA LEU A 64 25.551 15.228 -14.984 1.00 0.00 C ATOM 944 C LEU A 64 25.097 15.221 -16.462 1.00 0.00 C ATOM 945 O LEU A 64 25.284 16.230 -17.155 1.00 0.00 O ATOM 946 CB LEU A 64 24.765 16.326 -14.241 1.00 0.00 C ATOM 947 CG LEU A 64 24.896 16.271 -12.710 1.00 0.00 C ATOM 948 CD1 LEU A 64 24.812 17.682 -12.136 1.00 0.00 C ATOM 949 CD2 LEU A 64 23.783 15.426 -12.085 1.00 0.00 C ATOM 0 H LEU A 64 27.134 16.372 -14.305 1.00 0.00 H new ATOM 0 HA LEU A 64 25.364 14.238 -14.568 1.00 0.00 H new ATOM 0 HB2 LEU A 64 25.108 17.301 -14.589 1.00 0.00 H new ATOM 0 HB3 LEU A 64 23.711 16.245 -14.507 1.00 0.00 H new ATOM 0 HG LEU A 64 25.859 15.817 -12.476 1.00 0.00 H new ATOM 0 HD11 LEU A 64 24.905 17.639 -11.051 1.00 0.00 H new ATOM 0 HD12 LEU A 64 25.618 18.290 -12.546 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.852 18.126 -12.401 1.00 0.00 H new ATOM 0 HD21 LEU A 64 23.905 15.408 -11.002 1.00 0.00 H new ATOM 0 HD22 LEU A 64 22.814 15.859 -12.334 1.00 0.00 H new ATOM 0 HD23 LEU A 64 23.837 14.409 -12.473 1.00 0.00 H new ATOM 961 N PRO A 65 24.451 14.144 -16.952 1.00 0.00 N ATOM 962 CA PRO A 65 23.792 14.123 -18.256 1.00 0.00 C ATOM 963 C PRO A 65 22.721 15.211 -18.356 1.00 0.00 C ATOM 964 O PRO A 65 21.983 15.466 -17.403 1.00 0.00 O ATOM 965 CB PRO A 65 23.177 12.728 -18.406 1.00 0.00 C ATOM 966 CG PRO A 65 23.951 11.883 -17.398 1.00 0.00 C ATOM 967 CD PRO A 65 24.247 12.881 -16.282 1.00 0.00 C ATOM 0 HA PRO A 65 24.505 14.326 -19.055 1.00 0.00 H new ATOM 0 HB2 PRO A 65 22.109 12.735 -18.187 1.00 0.00 H new ATOM 0 HB3 PRO A 65 23.292 12.346 -19.421 1.00 0.00 H new ATOM 0 HG2 PRO A 65 23.362 11.038 -17.040 1.00 0.00 H new ATOM 0 HG3 PRO A 65 24.865 11.474 -17.829 1.00 0.00 H new ATOM 0 HD2 PRO A 65 23.419 12.939 -15.575 1.00 0.00 H new ATOM 0 HD3 PRO A 65 25.131 12.588 -15.715 1.00 0.00 H new ATOM 975 N ASP A 66 22.585 15.828 -19.527 1.00 0.00 N ATOM 976 CA ASP A 66 21.753 17.025 -19.674 1.00 0.00 C ATOM 977 C ASP A 66 20.270 16.804 -19.325 1.00 0.00 C ATOM 978 O ASP A 66 19.622 17.711 -18.811 1.00 0.00 O ATOM 979 CB ASP A 66 21.916 17.574 -21.096 1.00 0.00 C ATOM 980 CG ASP A 66 21.198 18.924 -21.277 1.00 0.00 C ATOM 981 OD1 ASP A 66 21.660 19.935 -20.694 1.00 0.00 O ATOM 982 OD2 ASP A 66 20.198 18.979 -22.032 1.00 0.00 O1- ATOM 0 H ASP A 66 23.038 15.522 -20.388 1.00 0.00 H new ATOM 0 HA ASP A 66 22.104 17.756 -18.945 1.00 0.00 H new ATOM 0 HB2 ASP A 66 22.976 17.694 -21.319 1.00 0.00 H new ATOM 0 HB3 ASP A 66 21.519 16.853 -21.811 1.00 0.00 H new ATOM 987 N SER A 67 19.747 15.584 -19.512 1.00 0.00 N ATOM 988 CA SER A 67 18.351 15.239 -19.185 1.00 0.00 C ATOM 989 C SER A 67 18.008 15.255 -17.682 1.00 0.00 C ATOM 990 O SER A 67 16.830 15.172 -17.344 1.00 0.00 O ATOM 991 CB SER A 67 17.949 13.875 -19.767 1.00 0.00 C ATOM 992 OG SER A 67 18.288 13.769 -21.143 1.00 0.00 O ATOM 0 H SER A 67 20.280 14.804 -19.896 1.00 0.00 H new ATOM 0 HA SER A 67 17.776 16.039 -19.651 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.444 13.081 -19.208 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.876 13.729 -19.645 1.00 0.00 H new ATOM 0 HG SER A 67 19.150 13.312 -21.233 1.00 0.00 H new ATOM 998 N ILE A 68 18.992 15.378 -16.774 1.00 0.00 N ATOM 999 CA ILE A 68 18.755 15.500 -15.313 1.00 0.00 C ATOM 1000 C ILE A 68 19.263 16.822 -14.726 1.00 0.00 C ATOM 1001 O ILE A 68 18.935 17.159 -13.590 1.00 0.00 O ATOM 1002 CB ILE A 68 19.275 14.253 -14.562 1.00 0.00 C ATOM 1003 CG1 ILE A 68 18.522 14.040 -13.231 1.00 0.00 C ATOM 1004 CG2 ILE A 68 20.799 14.289 -14.345 1.00 0.00 C ATOM 1005 CD1 ILE A 68 18.837 12.707 -12.539 1.00 0.00 C ATOM 0 H ILE A 68 19.980 15.396 -17.027 1.00 0.00 H new ATOM 0 HA ILE A 68 17.676 15.535 -15.163 1.00 0.00 H new ATOM 0 HB ILE A 68 19.070 13.395 -15.203 1.00 0.00 H new ATOM 0 HG12 ILE A 68 18.768 14.856 -12.552 1.00 0.00 H new ATOM 0 HG13 ILE A 68 17.450 14.095 -13.420 1.00 0.00 H new ATOM 0 HG21 ILE A 68 21.112 13.390 -13.813 1.00 0.00 H new ATOM 0 HG22 ILE A 68 21.303 14.334 -15.310 1.00 0.00 H new ATOM 0 HG23 ILE A 68 21.062 15.168 -13.757 1.00 0.00 H new ATOM 0 HD11 ILE A 68 18.268 12.635 -11.612 1.00 0.00 H new ATOM 0 HD12 ILE A 68 18.564 11.882 -13.197 1.00 0.00 H new ATOM 0 HD13 ILE A 68 19.903 12.656 -12.316 1.00 0.00 H new ATOM 1017 N VAL A 69 19.985 17.640 -15.494 1.00 0.00 N ATOM 1018 CA VAL A 69 20.342 19.013 -15.093 1.00 0.00 C ATOM 1019 C VAL A 69 19.100 19.857 -14.712 1.00 0.00 C ATOM 1020 O VAL A 69 19.120 20.425 -13.618 1.00 0.00 O ATOM 1021 CB VAL A 69 21.253 19.675 -16.151 1.00 0.00 C ATOM 1022 CG1 VAL A 69 21.534 21.151 -15.845 1.00 0.00 C ATOM 1023 CG2 VAL A 69 22.605 18.950 -16.206 1.00 0.00 C ATOM 0 H VAL A 69 20.341 17.375 -16.412 1.00 0.00 H new ATOM 0 HA VAL A 69 20.928 18.959 -14.176 1.00 0.00 H new ATOM 0 HB VAL A 69 20.722 19.606 -17.100 1.00 0.00 H new ATOM 0 HG11 VAL A 69 22.178 21.567 -16.619 1.00 0.00 H new ATOM 0 HG12 VAL A 69 20.594 21.703 -15.820 1.00 0.00 H new ATOM 0 HG13 VAL A 69 22.029 21.234 -14.878 1.00 0.00 H new ATOM 0 HG21 VAL A 69 23.241 19.423 -16.954 1.00 0.00 H new ATOM 0 HG22 VAL A 69 23.088 19.007 -15.231 1.00 0.00 H new ATOM 0 HG23 VAL A 69 22.447 17.905 -16.472 1.00 0.00 H new ATOM 1033 N PRO A 70 17.980 19.867 -15.474 1.00 0.00 N ATOM 1034 CA PRO A 70 16.702 20.474 -15.061 1.00 0.00 C ATOM 1035 C PRO A 70 16.100 19.975 -13.735 1.00 0.00 C ATOM 1036 O PRO A 70 15.152 20.585 -13.232 1.00 0.00 O ATOM 1037 CB PRO A 70 15.711 20.194 -16.197 1.00 0.00 C ATOM 1038 CG PRO A 70 16.584 19.960 -17.419 1.00 0.00 C ATOM 1039 CD PRO A 70 17.845 19.341 -16.828 1.00 0.00 C ATOM 0 HA PRO A 70 16.898 21.530 -14.877 1.00 0.00 H new ATOM 0 HB2 PRO A 70 15.093 19.323 -15.978 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.034 21.035 -16.349 1.00 0.00 H new ATOM 0 HG2 PRO A 70 16.105 19.293 -18.135 1.00 0.00 H new ATOM 0 HG3 PRO A 70 16.800 20.890 -17.945 1.00 0.00 H new ATOM 0 HD2 PRO A 70 17.772 18.254 -16.814 1.00 0.00 H new ATOM 0 HD3 PRO A 70 18.718 19.594 -17.430 1.00 0.00 H new ATOM 1047 N LEU A 71 16.619 18.885 -13.158 1.00 0.00 N ATOM 1048 CA LEU A 71 16.171 18.334 -11.879 1.00 0.00 C ATOM 1049 C LEU A 71 17.187 18.647 -10.778 1.00 0.00 C ATOM 1050 O LEU A 71 16.812 19.109 -9.699 1.00 0.00 O ATOM 1051 CB LEU A 71 15.939 16.813 -12.039 1.00 0.00 C ATOM 1052 CG LEU A 71 15.397 16.185 -10.744 1.00 0.00 C ATOM 1053 CD1 LEU A 71 14.026 16.743 -10.371 1.00 0.00 C ATOM 1054 CD2 LEU A 71 15.289 14.671 -10.876 1.00 0.00 C ATOM 0 H LEU A 71 17.379 18.351 -13.579 1.00 0.00 H new ATOM 0 HA LEU A 71 15.229 18.796 -11.582 1.00 0.00 H new ATOM 0 HB2 LEU A 71 15.236 16.635 -12.853 1.00 0.00 H new ATOM 0 HB3 LEU A 71 16.875 16.328 -12.315 1.00 0.00 H new ATOM 0 HG LEU A 71 16.107 16.438 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.680 16.273 -9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 71 14.100 17.820 -10.223 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.318 16.535 -11.173 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.903 14.251 -9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 71 14.612 14.424 -11.694 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.274 14.253 -11.082 1.00 0.00 H new ATOM 1066 N PHE A 72 18.475 18.470 -11.074 1.00 0.00 N ATOM 1067 CA PHE A 72 19.572 18.761 -10.162 1.00 0.00 C ATOM 1068 C PHE A 72 19.560 20.233 -9.719 1.00 0.00 C ATOM 1069 O PHE A 72 19.565 20.516 -8.522 1.00 0.00 O ATOM 1070 CB PHE A 72 20.867 18.335 -10.869 1.00 0.00 C ATOM 1071 CG PHE A 72 22.126 18.637 -10.089 1.00 0.00 C ATOM 1072 CD1 PHE A 72 22.720 19.905 -10.205 1.00 0.00 C ATOM 1073 CD2 PHE A 72 22.711 17.668 -9.254 1.00 0.00 C ATOM 1074 CE1 PHE A 72 23.882 20.217 -9.476 1.00 0.00 C ATOM 1075 CE2 PHE A 72 23.867 17.982 -8.516 1.00 0.00 C ATOM 1076 CZ PHE A 72 24.453 19.256 -8.625 1.00 0.00 C ATOM 0 H PHE A 72 18.787 18.112 -11.976 1.00 0.00 H new ATOM 0 HA PHE A 72 19.476 18.201 -9.232 1.00 0.00 H new ATOM 0 HB2 PHE A 72 20.824 17.264 -11.068 1.00 0.00 H new ATOM 0 HB3 PHE A 72 20.922 18.837 -11.835 1.00 0.00 H new ATOM 0 HD1 PHE A 72 22.282 20.645 -10.858 1.00 0.00 H new ATOM 0 HD2 PHE A 72 22.273 16.684 -9.179 1.00 0.00 H new ATOM 0 HE1 PHE A 72 24.334 21.193 -9.570 1.00 0.00 H new ATOM 0 HE2 PHE A 72 24.306 17.242 -7.863 1.00 0.00 H new ATOM 0 HZ PHE A 72 25.339 19.495 -8.056 1.00 0.00 H new ATOM 1086 N GLN A 73 19.449 21.180 -10.664 1.00 0.00 N ATOM 1087 CA GLN A 73 19.425 22.614 -10.332 1.00 0.00 C ATOM 1088 C GLN A 73 18.215 22.992 -9.456 1.00 0.00 C ATOM 1089 O GLN A 73 18.368 23.712 -8.473 1.00 0.00 O ATOM 1090 CB GLN A 73 19.432 23.477 -11.609 1.00 0.00 C ATOM 1091 CG GLN A 73 20.652 23.284 -12.528 1.00 0.00 C ATOM 1092 CD GLN A 73 22.008 23.526 -11.861 1.00 0.00 C ATOM 1093 OE1 GLN A 73 22.184 24.372 -10.994 1.00 0.00 O ATOM 1094 NE2 GLN A 73 23.016 22.764 -12.231 1.00 0.00 N ATOM 0 H GLN A 73 19.375 20.980 -11.661 1.00 0.00 H new ATOM 0 HA GLN A 73 20.329 22.814 -9.757 1.00 0.00 H new ATOM 0 HB2 GLN A 73 18.530 23.258 -12.180 1.00 0.00 H new ATOM 0 HB3 GLN A 73 19.379 24.526 -11.319 1.00 0.00 H new ATOM 0 HG2 GLN A 73 20.634 22.268 -12.922 1.00 0.00 H new ATOM 0 HG3 GLN A 73 20.557 23.958 -13.379 1.00 0.00 H new ATOM 0 HE21 GLN A 73 22.882 22.056 -12.952 1.00 0.00 H new ATOM 0 HE22 GLN A 73 23.931 22.882 -11.796 1.00 0.00 H new ATOM 1103 N GLY A 74 17.024 22.464 -9.767 1.00 0.00 N ATOM 1104 CA GLY A 74 15.773 22.789 -9.078 1.00 0.00 C ATOM 1105 C GLY A 74 15.698 22.238 -7.654 1.00 0.00 C ATOM 1106 O GLY A 74 15.265 22.947 -6.747 1.00 0.00 O ATOM 0 H GLY A 74 16.903 21.786 -10.519 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.656 23.872 -9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.937 22.395 -9.656 1.00 0.00 H new ATOM 1110 N ILE A 75 16.172 21.008 -7.420 1.00 0.00 N ATOM 1111 CA ILE A 75 16.275 20.448 -6.068 1.00 0.00 C ATOM 1112 C ILE A 75 17.284 21.254 -5.240 1.00 0.00 C ATOM 1113 O ILE A 75 16.974 21.642 -4.111 1.00 0.00 O ATOM 1114 CB ILE A 75 16.620 18.949 -6.159 1.00 0.00 C ATOM 1115 CG1 ILE A 75 15.403 18.152 -6.684 1.00 0.00 C ATOM 1116 CG2 ILE A 75 17.090 18.374 -4.809 1.00 0.00 C ATOM 1117 CD1 ILE A 75 15.729 16.685 -6.990 1.00 0.00 C ATOM 0 H ILE A 75 16.492 20.378 -8.156 1.00 0.00 H new ATOM 0 HA ILE A 75 15.320 20.525 -5.549 1.00 0.00 H new ATOM 0 HB ILE A 75 17.449 18.850 -6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 75 14.603 18.193 -5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 75 15.026 18.630 -7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.321 17.315 -4.925 1.00 0.00 H new ATOM 0 HG22 ILE A 75 17.982 18.906 -4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.300 18.494 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 75 14.833 16.182 -7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 75 16.508 16.636 -7.751 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.078 16.193 -6.082 1.00 0.00 H new ATOM 1129 N LYS A 76 18.460 21.573 -5.801 1.00 0.00 N ATOM 1130 CA LYS A 76 19.496 22.366 -5.120 1.00 0.00 C ATOM 1131 C LYS A 76 18.992 23.757 -4.710 1.00 0.00 C ATOM 1132 O LYS A 76 19.190 24.185 -3.573 1.00 0.00 O ATOM 1133 CB LYS A 76 20.723 22.480 -6.039 1.00 0.00 C ATOM 1134 CG LYS A 76 21.949 22.988 -5.274 1.00 0.00 C ATOM 1135 CD LYS A 76 23.219 22.920 -6.124 1.00 0.00 C ATOM 1136 CE LYS A 76 23.188 23.944 -7.273 1.00 0.00 C ATOM 1137 NZ LYS A 76 24.535 24.135 -7.884 1.00 0.00 N1+ ATOM 0 H LYS A 76 18.721 21.287 -6.745 1.00 0.00 H new ATOM 0 HA LYS A 76 19.768 21.853 -4.198 1.00 0.00 H new ATOM 0 HB2 LYS A 76 20.943 21.506 -6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.500 23.157 -6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.779 24.017 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 76 22.085 22.394 -4.370 1.00 0.00 H new ATOM 0 HD2 LYS A 76 24.089 23.105 -5.494 1.00 0.00 H new ATOM 0 HD3 LYS A 76 23.330 21.916 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 76 22.486 23.611 -8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 76 22.821 24.899 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 24.472 24.832 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 25.199 24.478 -7.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 24.875 23.229 -8.265 1.00 0.00 H new ATOM 1151 N ASP A 77 18.333 24.444 -5.638 1.00 0.00 N ATOM 1152 CA ASP A 77 17.874 25.827 -5.491 1.00 0.00 C ATOM 1153 C ASP A 77 16.583 25.989 -4.667 1.00 0.00 C ATOM 1154 O ASP A 77 16.493 26.938 -3.881 1.00 0.00 O ATOM 1155 CB ASP A 77 17.653 26.380 -6.907 1.00 0.00 C ATOM 1156 CG ASP A 77 16.951 27.746 -6.908 1.00 0.00 C ATOM 1157 OD1 ASP A 77 17.652 28.785 -6.837 1.00 0.00 O1- ATOM 1158 OD2 ASP A 77 15.697 27.768 -6.983 1.00 0.00 O ATOM 0 H ASP A 77 18.094 24.042 -6.545 1.00 0.00 H new ATOM 0 HA ASP A 77 18.636 26.373 -4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.615 26.470 -7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 77 17.058 25.670 -7.481 1.00 0.00 H new ATOM 1163 N SER A 78 15.612 25.072 -4.807 1.00 0.00 N ATOM 1164 CA SER A 78 14.259 25.277 -4.249 1.00 0.00 C ATOM 1165 C SER A 78 13.682 24.191 -3.323 1.00 0.00 C ATOM 1166 O SER A 78 12.668 24.465 -2.676 1.00 0.00 O ATOM 1167 CB SER A 78 13.289 25.553 -5.408 1.00 0.00 C ATOM 1168 OG SER A 78 13.388 26.895 -5.864 1.00 0.00 O ATOM 0 H SER A 78 15.734 24.186 -5.298 1.00 0.00 H new ATOM 0 HA SER A 78 14.375 26.124 -3.573 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.502 24.872 -6.232 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.268 25.352 -5.084 1.00 0.00 H new ATOM 0 HG SER A 78 14.238 27.018 -6.337 1.00 0.00 H new ATOM 1174 N LEU A 79 14.290 23.002 -3.184 1.00 0.00 N ATOM 1175 CA LEU A 79 13.822 22.002 -2.197 1.00 0.00 C ATOM 1176 C LEU A 79 14.506 22.172 -0.821 1.00 0.00 C ATOM 1177 O LEU A 79 13.863 21.971 0.212 1.00 0.00 O ATOM 1178 CB LEU A 79 13.980 20.569 -2.748 1.00 0.00 C ATOM 1179 CG LEU A 79 12.867 20.078 -3.704 1.00 0.00 C ATOM 1180 CD1 LEU A 79 11.566 19.753 -2.967 1.00 0.00 C ATOM 1181 CD2 LEU A 79 12.496 21.048 -4.826 1.00 0.00 C ATOM 0 H LEU A 79 15.098 22.707 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 79 12.759 22.179 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 79 14.934 20.507 -3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.035 19.881 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 79 13.317 19.188 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.818 19.413 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.750 18.968 -2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.203 20.646 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.708 20.611 -5.439 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.143 21.985 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 79 13.372 21.241 -5.445 1.00 0.00 H new ATOM 1193 N GLY A 80 15.774 22.603 -0.797 1.00 0.00 N ATOM 1194 CA GLY A 80 16.527 23.029 0.394 1.00 0.00 C ATOM 1195 C GLY A 80 16.963 21.922 1.373 1.00 0.00 C ATOM 1196 O GLY A 80 18.153 21.800 1.656 1.00 0.00 O ATOM 0 H GLY A 80 16.332 22.668 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.420 23.558 0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.917 23.747 0.943 1.00 0.00 H new ATOM 1200 N PHE A 81 16.025 21.112 1.870 1.00 0.00 N ATOM 1201 CA PHE A 81 16.240 20.041 2.859 1.00 0.00 C ATOM 1202 C PHE A 81 15.205 18.912 2.698 1.00 0.00 C ATOM 1203 O PHE A 81 14.060 19.159 2.313 1.00 0.00 O ATOM 1204 CB PHE A 81 16.146 20.609 4.286 1.00 0.00 C ATOM 1205 CG PHE A 81 17.363 21.394 4.736 1.00 0.00 C ATOM 1206 CD1 PHE A 81 18.552 20.713 5.062 1.00 0.00 C ATOM 1207 CD2 PHE A 81 17.316 22.799 4.835 1.00 0.00 C ATOM 1208 CE1 PHE A 81 19.687 21.430 5.482 1.00 0.00 C ATOM 1209 CE2 PHE A 81 18.451 23.517 5.252 1.00 0.00 C ATOM 1210 CZ PHE A 81 19.637 22.833 5.574 1.00 0.00 C ATOM 0 H PHE A 81 15.049 21.184 1.584 1.00 0.00 H new ATOM 0 HA PHE A 81 17.235 19.630 2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 81 15.270 21.255 4.349 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.985 19.785 4.981 1.00 0.00 H new ATOM 0 HD1 PHE A 81 18.592 19.636 4.989 1.00 0.00 H new ATOM 0 HD2 PHE A 81 16.406 23.326 4.590 1.00 0.00 H new ATOM 0 HE1 PHE A 81 20.596 20.904 5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 81 18.412 24.594 5.325 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.509 23.385 5.892 1.00 0.00 H new ATOM 1220 N GLN A 82 15.596 17.675 3.031 1.00 0.00 N ATOM 1221 CA GLN A 82 14.776 16.470 2.848 1.00 0.00 C ATOM 1222 C GLN A 82 14.969 15.309 3.874 1.00 0.00 C ATOM 1223 O GLN A 82 14.898 14.152 3.460 1.00 0.00 O ATOM 1224 CB GLN A 82 14.978 16.001 1.388 1.00 0.00 C ATOM 1225 CG GLN A 82 13.655 15.582 0.753 1.00 0.00 C ATOM 1226 CD GLN A 82 12.773 16.768 0.386 1.00 0.00 C ATOM 1227 OE1 GLN A 82 12.994 17.443 -0.608 1.00 0.00 O ATOM 1228 NE2 GLN A 82 11.717 17.017 1.134 1.00 0.00 N ATOM 0 H GLN A 82 16.508 17.480 3.443 1.00 0.00 H new ATOM 0 HA GLN A 82 13.745 16.757 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 82 15.426 16.805 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.676 15.164 1.366 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.857 14.995 -0.143 1.00 0.00 H new ATOM 0 HG3 GLN A 82 13.115 14.934 1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.535 16.452 1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.082 17.775 0.884 1.00 0.00 H new ATOM 1237 N PRO A 83 15.172 15.533 5.198 1.00 0.00 N ATOM 1238 CA PRO A 83 15.205 14.444 6.200 1.00 0.00 C ATOM 1239 C PRO A 83 14.066 13.412 6.101 1.00 0.00 C ATOM 1240 O PRO A 83 14.262 12.225 6.368 1.00 0.00 O ATOM 1241 CB PRO A 83 15.161 15.133 7.569 1.00 0.00 C ATOM 1242 CG PRO A 83 15.729 16.521 7.308 1.00 0.00 C ATOM 1243 CD PRO A 83 15.329 16.821 5.867 1.00 0.00 C ATOM 0 HA PRO A 83 16.107 13.857 6.027 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.143 15.186 7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.754 14.592 8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.316 17.257 7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 83 16.812 16.539 7.433 1.00 0.00 H new ATOM 0 HD2 PRO A 83 14.400 17.390 5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.090 17.424 5.372 1.00 0.00 H new ATOM 1251 N ASN A 84 12.879 13.874 5.692 1.00 0.00 N ATOM 1252 CA ASN A 84 11.650 13.103 5.459 1.00 0.00 C ATOM 1253 C ASN A 84 11.668 12.132 4.253 1.00 0.00 C ATOM 1254 O ASN A 84 10.681 11.417 4.049 1.00 0.00 O ATOM 1255 CB ASN A 84 10.470 14.102 5.386 1.00 0.00 C ATOM 1256 CG ASN A 84 10.635 15.279 4.427 1.00 0.00 C ATOM 1257 OD1 ASN A 84 11.444 15.303 3.509 1.00 0.00 O ATOM 1258 ND2 ASN A 84 9.922 16.354 4.674 1.00 0.00 N ATOM 0 H ASN A 84 12.741 14.866 5.501 1.00 0.00 H new ATOM 0 HA ASN A 84 11.542 12.418 6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.574 13.552 5.100 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.295 14.498 6.386 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.047 17.191 4.105 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.243 16.352 5.435 1.00 0.00 H new ATOM 1265 N LEU A 85 12.767 12.046 3.494 1.00 0.00 N ATOM 1266 CA LEU A 85 12.874 11.268 2.254 1.00 0.00 C ATOM 1267 C LEU A 85 13.983 10.206 2.327 1.00 0.00 C ATOM 1268 O LEU A 85 15.068 10.428 2.873 1.00 0.00 O ATOM 1269 CB LEU A 85 13.050 12.253 1.090 1.00 0.00 C ATOM 1270 CG LEU A 85 13.230 11.633 -0.309 1.00 0.00 C ATOM 1271 CD1 LEU A 85 12.475 12.447 -1.360 1.00 0.00 C ATOM 1272 CD2 LEU A 85 14.722 11.604 -0.666 1.00 0.00 C ATOM 0 H LEU A 85 13.632 12.530 3.733 1.00 0.00 H new ATOM 0 HA LEU A 85 11.962 10.693 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 85 12.181 12.910 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.917 12.880 1.300 1.00 0.00 H new ATOM 0 HG LEU A 85 12.830 10.619 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.615 11.993 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 85 11.413 12.462 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.858 13.467 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 85 14.851 11.166 -1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 85 15.116 12.620 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 85 15.260 11.006 0.069 1.00 0.00 H new ATOM 1284 N ARG A 86 13.698 9.050 1.717 1.00 0.00 N ATOM 1285 CA ARG A 86 14.530 7.845 1.676 1.00 0.00 C ATOM 1286 C ARG A 86 14.640 7.324 0.253 1.00 0.00 C ATOM 1287 O ARG A 86 13.695 7.430 -0.528 1.00 0.00 O ATOM 1288 CB ARG A 86 13.921 6.787 2.604 1.00 0.00 C ATOM 1289 CG ARG A 86 14.263 7.051 4.074 1.00 0.00 C ATOM 1290 CD ARG A 86 13.316 6.300 5.018 1.00 0.00 C ATOM 1291 NE ARG A 86 11.913 6.755 4.857 1.00 0.00 N ATOM 1292 CZ ARG A 86 10.876 6.381 5.590 1.00 0.00 C ATOM 1293 NH1 ARG A 86 10.997 5.537 6.576 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 86 9.687 6.859 5.348 1.00 0.00 N ATOM 0 H ARG A 86 12.824 8.925 1.207 1.00 0.00 H new ATOM 0 HA ARG A 86 15.537 8.082 2.018 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.838 6.775 2.480 1.00 0.00 H new ATOM 0 HB3 ARG A 86 14.285 5.800 2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.291 6.745 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.205 8.121 4.275 1.00 0.00 H new ATOM 0 HD2 ARG A 86 13.377 5.230 4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 86 13.633 6.453 6.050 1.00 0.00 H new ATOM 0 HE ARG A 86 11.729 7.422 4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.911 5.144 6.802 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.178 5.269 7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.550 7.527 4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.894 6.565 5.918 1.00 0.00 H new ATOM 1308 N TYR A 87 15.803 6.772 -0.081 1.00 0.00 N ATOM 1309 CA TYR A 87 16.123 6.448 -1.473 1.00 0.00 C ATOM 1310 C TYR A 87 17.246 5.423 -1.682 1.00 0.00 C ATOM 1311 O TYR A 87 17.683 4.758 -0.745 1.00 0.00 O ATOM 1312 CB TYR A 87 16.411 7.782 -2.191 1.00 0.00 C ATOM 1313 CG TYR A 87 17.738 8.422 -1.866 1.00 0.00 C ATOM 1314 CD1 TYR A 87 17.937 9.070 -0.631 1.00 0.00 C ATOM 1315 CD2 TYR A 87 18.762 8.379 -2.824 1.00 0.00 C ATOM 1316 CE1 TYR A 87 19.186 9.641 -0.332 1.00 0.00 C ATOM 1317 CE2 TYR A 87 20.006 8.968 -2.527 1.00 0.00 C ATOM 1318 CZ TYR A 87 20.230 9.582 -1.277 1.00 0.00 C ATOM 1319 OH TYR A 87 21.446 10.098 -0.968 1.00 0.00 O ATOM 0 H TYR A 87 16.538 6.540 0.587 1.00 0.00 H new ATOM 0 HA TYR A 87 15.263 5.934 -1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 87 16.363 7.613 -3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 87 15.617 8.487 -1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 87 17.131 9.128 0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 87 18.598 7.900 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 87 19.346 10.124 0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 87 20.796 8.949 -3.263 1.00 0.00 H new ATOM 0 HH TYR A 87 22.073 9.920 -1.700 1.00 0.00 H new ATOM 1329 N GLY A 88 17.695 5.291 -2.929 1.00 0.00 N ATOM 1330 CA GLY A 88 18.824 4.472 -3.378 1.00 0.00 C ATOM 1331 C GLY A 88 19.434 5.068 -4.652 1.00 0.00 C ATOM 1332 O GLY A 88 18.837 5.960 -5.261 1.00 0.00 O ATOM 0 H GLY A 88 17.252 5.785 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.579 4.419 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 88 18.490 3.452 -3.568 1.00 0.00 H new ATOM 1336 N VAL A 89 20.623 4.610 -5.063 1.00 0.00 N ATOM 1337 CA VAL A 89 21.345 5.190 -6.214 1.00 0.00 C ATOM 1338 C VAL A 89 22.080 4.148 -7.039 1.00 0.00 C ATOM 1339 O VAL A 89 22.934 3.415 -6.542 1.00 0.00 O ATOM 1340 CB VAL A 89 22.396 6.236 -5.780 1.00 0.00 C ATOM 1341 CG1 VAL A 89 23.107 6.907 -6.970 1.00 0.00 C ATOM 1342 CG2 VAL A 89 21.766 7.344 -4.947 1.00 0.00 C ATOM 0 H VAL A 89 21.112 3.835 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 89 20.562 5.655 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 89 23.125 5.675 -5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 89 23.833 7.631 -6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 89 23.620 6.149 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 89 22.372 7.417 -7.593 1.00 0.00 H new ATOM 0 HG21 VAL A 89 22.533 8.063 -4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.998 7.848 -5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 89 21.315 6.915 -4.052 1.00 0.00 H new ATOM 1352 N ILE A 90 21.797 4.168 -8.335 1.00 0.00 N ATOM 1353 CA ILE A 90 22.547 3.440 -9.349 1.00 0.00 C ATOM 1354 C ILE A 90 23.206 4.514 -10.220 1.00 0.00 C ATOM 1355 O ILE A 90 22.535 5.246 -10.944 1.00 0.00 O ATOM 1356 CB ILE A 90 21.639 2.496 -10.150 1.00 0.00 C ATOM 1357 CG1 ILE A 90 20.924 1.511 -9.200 1.00 0.00 C ATOM 1358 CG2 ILE A 90 22.497 1.768 -11.203 1.00 0.00 C ATOM 1359 CD1 ILE A 90 20.033 0.497 -9.916 1.00 0.00 C ATOM 0 H ILE A 90 21.020 4.705 -8.719 1.00 0.00 H new ATOM 0 HA ILE A 90 23.301 2.787 -8.910 1.00 0.00 H new ATOM 0 HB ILE A 90 20.861 3.059 -10.665 1.00 0.00 H new ATOM 0 HG12 ILE A 90 21.673 0.974 -8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 90 20.318 2.078 -8.494 1.00 0.00 H new ATOM 0 HG21 ILE A 90 21.867 1.092 -11.782 1.00 0.00 H new ATOM 0 HG22 ILE A 90 22.953 2.500 -11.870 1.00 0.00 H new ATOM 0 HG23 ILE A 90 23.279 1.196 -10.703 1.00 0.00 H new ATOM 0 HD11 ILE A 90 19.566 -0.159 -9.182 1.00 0.00 H new ATOM 0 HD12 ILE A 90 19.260 1.023 -10.476 1.00 0.00 H new ATOM 0 HD13 ILE A 90 20.637 -0.097 -10.602 1.00 0.00 H new ATOM 1371 N ALA A 91 24.526 4.641 -10.123 1.00 0.00 N ATOM 1372 CA ALA A 91 25.311 5.526 -10.972 1.00 0.00 C ATOM 1373 C ALA A 91 25.992 4.701 -12.070 1.00 0.00 C ATOM 1374 O ALA A 91 26.426 3.570 -11.849 1.00 0.00 O ATOM 1375 CB ALA A 91 26.302 6.301 -10.095 1.00 0.00 C ATOM 0 H ALA A 91 25.086 4.125 -9.444 1.00 0.00 H new ATOM 0 HA ALA A 91 24.680 6.259 -11.474 1.00 0.00 H new ATOM 0 HB1 ALA A 91 26.896 6.968 -10.720 1.00 0.00 H new ATOM 0 HB2 ALA A 91 25.754 6.887 -9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 91 26.961 5.599 -9.584 1.00 0.00 H new ATOM 1381 N LEU A 92 26.075 5.262 -13.273 1.00 0.00 N ATOM 1382 CA LEU A 92 26.589 4.564 -14.445 1.00 0.00 C ATOM 1383 C LEU A 92 27.643 5.407 -15.156 1.00 0.00 C ATOM 1384 O LEU A 92 27.642 6.643 -15.103 1.00 0.00 O ATOM 1385 CB LEU A 92 25.457 4.199 -15.431 1.00 0.00 C ATOM 1386 CG LEU A 92 24.276 3.361 -14.903 1.00 0.00 C ATOM 1387 CD1 LEU A 92 23.189 4.198 -14.220 1.00 0.00 C ATOM 1388 CD2 LEU A 92 23.634 2.655 -16.098 1.00 0.00 C ATOM 0 H LEU A 92 25.785 6.221 -13.462 1.00 0.00 H new ATOM 0 HA LEU A 92 27.048 3.639 -14.096 1.00 0.00 H new ATOM 0 HB2 LEU A 92 25.053 5.128 -15.833 1.00 0.00 H new ATOM 0 HB3 LEU A 92 25.903 3.658 -16.265 1.00 0.00 H new ATOM 0 HG LEU A 92 24.674 2.672 -14.159 1.00 0.00 H new ATOM 0 HD11 LEU A 92 22.390 3.543 -13.873 1.00 0.00 H new ATOM 0 HD12 LEU A 92 23.618 4.728 -13.370 1.00 0.00 H new ATOM 0 HD13 LEU A 92 22.785 4.919 -14.930 1.00 0.00 H new ATOM 0 HD21 LEU A 92 22.793 2.052 -15.756 1.00 0.00 H new ATOM 0 HD22 LEU A 92 23.281 3.398 -16.813 1.00 0.00 H new ATOM 0 HD23 LEU A 92 24.370 2.011 -16.578 1.00 0.00 H new ATOM 1400 N GLY A 93 28.520 4.715 -15.867 1.00 0.00 N ATOM 1401 CA GLY A 93 29.455 5.338 -16.777 1.00 0.00 C ATOM 1402 C GLY A 93 30.555 4.370 -17.217 1.00 0.00 C ATOM 1403 O GLY A 93 30.260 3.267 -17.671 1.00 0.00 O ATOM 0 H GLY A 93 28.599 3.699 -15.825 1.00 0.00 H new ATOM 0 HA2 GLY A 93 28.920 5.702 -17.654 1.00 0.00 H new ATOM 0 HA3 GLY A 93 29.906 6.206 -16.296 1.00 0.00 H new ATOM 1407 N ASP A 94 31.819 4.778 -17.104 1.00 0.00 N ATOM 1408 CA ASP A 94 32.982 4.034 -17.604 1.00 0.00 C ATOM 1409 C ASP A 94 34.217 4.259 -16.704 1.00 0.00 C ATOM 1410 O ASP A 94 34.579 5.397 -16.398 1.00 0.00 O ATOM 1411 CB ASP A 94 33.244 4.495 -19.044 1.00 0.00 C ATOM 1412 CG ASP A 94 34.265 3.609 -19.765 1.00 0.00 C ATOM 1413 OD1 ASP A 94 35.412 3.500 -19.276 1.00 0.00 O1- ATOM 1414 OD2 ASP A 94 33.930 3.051 -20.835 1.00 0.00 O ATOM 0 H ASP A 94 32.072 5.656 -16.651 1.00 0.00 H new ATOM 0 HA ASP A 94 32.782 2.963 -17.587 1.00 0.00 H new ATOM 0 HB2 ASP A 94 32.307 4.491 -19.600 1.00 0.00 H new ATOM 0 HB3 ASP A 94 33.603 5.524 -19.033 1.00 0.00 H new ATOM 1419 N SER A 95 34.863 3.177 -16.254 1.00 0.00 N ATOM 1420 CA SER A 95 36.022 3.226 -15.339 1.00 0.00 C ATOM 1421 C SER A 95 37.344 3.721 -15.957 1.00 0.00 C ATOM 1422 O SER A 95 38.341 3.852 -15.242 1.00 0.00 O ATOM 1423 CB SER A 95 36.250 1.864 -14.675 1.00 0.00 C ATOM 1424 OG SER A 95 36.594 0.881 -15.628 1.00 0.00 O ATOM 0 H SER A 95 34.596 2.228 -16.515 1.00 0.00 H new ATOM 0 HA SER A 95 35.743 3.980 -14.603 1.00 0.00 H new ATOM 0 HB2 SER A 95 37.043 1.947 -13.932 1.00 0.00 H new ATOM 0 HB3 SER A 95 35.348 1.560 -14.145 1.00 0.00 H new ATOM 0 HG SER A 95 36.100 0.056 -15.439 1.00 0.00 H new ATOM 1430 N SER A 96 37.378 4.038 -17.256 1.00 0.00 N ATOM 1431 CA SER A 96 38.564 4.570 -17.965 1.00 0.00 C ATOM 1432 C SER A 96 38.989 5.993 -17.537 1.00 0.00 C ATOM 1433 O SER A 96 39.913 6.563 -18.121 1.00 0.00 O ATOM 1434 CB SER A 96 38.347 4.560 -19.488 1.00 0.00 C ATOM 1435 OG SER A 96 37.875 3.304 -19.934 1.00 0.00 O ATOM 0 H SER A 96 36.566 3.932 -17.865 1.00 0.00 H new ATOM 0 HA SER A 96 39.373 3.897 -17.681 1.00 0.00 H new ATOM 0 HB2 SER A 96 37.632 5.337 -19.760 1.00 0.00 H new ATOM 0 HB3 SER A 96 39.284 4.798 -19.992 1.00 0.00 H new ATOM 0 HG SER A 96 36.989 3.133 -19.552 1.00 0.00 H new ATOM 1441 N TYR A 97 38.327 6.579 -16.532 1.00 0.00 N ATOM 1442 CA TYR A 97 38.463 7.977 -16.104 1.00 0.00 C ATOM 1443 C TYR A 97 38.478 8.100 -14.568 1.00 0.00 C ATOM 1444 O TYR A 97 37.911 7.264 -13.862 1.00 0.00 O ATOM 1445 CB TYR A 97 37.268 8.773 -16.650 1.00 0.00 C ATOM 1446 CG TYR A 97 37.033 8.699 -18.150 1.00 0.00 C ATOM 1447 CD1 TYR A 97 36.191 7.700 -18.681 1.00 0.00 C ATOM 1448 CD2 TYR A 97 37.618 9.654 -19.005 1.00 0.00 C ATOM 1449 CE1 TYR A 97 35.931 7.654 -20.063 1.00 0.00 C ATOM 1450 CE2 TYR A 97 37.364 9.611 -20.389 1.00 0.00 C ATOM 1451 CZ TYR A 97 36.516 8.615 -20.922 1.00 0.00 C ATOM 1452 OH TYR A 97 36.276 8.582 -22.260 1.00 0.00 O ATOM 0 H TYR A 97 37.649 6.067 -15.968 1.00 0.00 H new ATOM 0 HA TYR A 97 39.407 8.365 -16.487 1.00 0.00 H new ATOM 0 HB2 TYR A 97 36.367 8.424 -16.146 1.00 0.00 H new ATOM 0 HB3 TYR A 97 37.402 9.820 -16.377 1.00 0.00 H new ATOM 0 HD1 TYR A 97 35.744 6.968 -18.025 1.00 0.00 H new ATOM 0 HD2 TYR A 97 38.262 10.420 -18.598 1.00 0.00 H new ATOM 0 HE1 TYR A 97 35.287 6.887 -20.467 1.00 0.00 H new ATOM 0 HE2 TYR A 97 37.818 10.340 -21.044 1.00 0.00 H new ATOM 0 HH TYR A 97 36.757 9.316 -22.697 1.00 0.00 H new ATOM 1462 N VAL A 98 39.067 9.187 -14.046 1.00 0.00 N ATOM 1463 CA VAL A 98 39.099 9.489 -12.596 1.00 0.00 C ATOM 1464 C VAL A 98 37.690 9.743 -12.033 1.00 0.00 C ATOM 1465 O VAL A 98 37.365 9.286 -10.936 1.00 0.00 O ATOM 1466 CB VAL A 98 40.032 10.692 -12.304 1.00 0.00 C ATOM 1467 CG1 VAL A 98 40.111 11.023 -10.809 1.00 0.00 C ATOM 1468 CG2 VAL A 98 41.466 10.413 -12.782 1.00 0.00 C ATOM 0 H VAL A 98 39.539 9.889 -14.617 1.00 0.00 H new ATOM 0 HA VAL A 98 39.499 8.610 -12.090 1.00 0.00 H new ATOM 0 HB VAL A 98 39.598 11.534 -12.844 1.00 0.00 H new ATOM 0 HG11 VAL A 98 40.777 11.873 -10.659 1.00 0.00 H new ATOM 0 HG12 VAL A 98 39.117 11.272 -10.438 1.00 0.00 H new ATOM 0 HG13 VAL A 98 40.496 10.160 -10.265 1.00 0.00 H new ATOM 0 HG21 VAL A 98 42.097 11.275 -12.563 1.00 0.00 H new ATOM 0 HG22 VAL A 98 41.858 9.537 -12.266 1.00 0.00 H new ATOM 0 HG23 VAL A 98 41.462 10.229 -13.856 1.00 0.00 H new ATOM 1478 N ASN A 99 36.815 10.402 -12.806 1.00 0.00 N ATOM 1479 CA ASN A 99 35.411 10.668 -12.460 1.00 0.00 C ATOM 1480 C ASN A 99 34.493 9.453 -12.696 1.00 0.00 C ATOM 1481 O ASN A 99 33.421 9.588 -13.288 1.00 0.00 O ATOM 1482 CB ASN A 99 34.938 11.921 -13.225 1.00 0.00 C ATOM 1483 CG ASN A 99 35.613 13.197 -12.734 1.00 0.00 C ATOM 1484 OD1 ASN A 99 35.725 13.449 -11.542 1.00 0.00 O ATOM 1485 ND2 ASN A 99 36.091 14.041 -13.621 1.00 0.00 N ATOM 0 H ASN A 99 37.073 10.777 -13.719 1.00 0.00 H new ATOM 0 HA ASN A 99 35.347 10.858 -11.389 1.00 0.00 H new ATOM 0 HB2 ASN A 99 35.142 11.792 -14.288 1.00 0.00 H new ATOM 0 HB3 ASN A 99 33.858 12.021 -13.118 1.00 0.00 H new ATOM 0 HD21 ASN A 99 36.551 14.898 -13.313 1.00 0.00 H new ATOM 0 HD22 ASN A 99 36.002 13.839 -14.617 1.00 0.00 H new ATOM 1492 N PHE A 100 34.902 8.249 -12.296 1.00 0.00 N ATOM 1493 CA PHE A 100 34.107 7.023 -12.467 1.00 0.00 C ATOM 1494 C PHE A 100 32.688 7.175 -11.889 1.00 0.00 C ATOM 1495 O PHE A 100 32.503 7.365 -10.685 1.00 0.00 O ATOM 1496 CB PHE A 100 34.858 5.833 -11.853 1.00 0.00 C ATOM 1497 CG PHE A 100 34.127 4.503 -11.946 1.00 0.00 C ATOM 1498 CD1 PHE A 100 33.528 4.098 -13.156 1.00 0.00 C ATOM 1499 CD2 PHE A 100 34.059 3.654 -10.824 1.00 0.00 C ATOM 1500 CE1 PHE A 100 32.879 2.856 -13.250 1.00 0.00 C ATOM 1501 CE2 PHE A 100 33.394 2.419 -10.912 1.00 0.00 C ATOM 1502 CZ PHE A 100 32.804 2.019 -12.123 1.00 0.00 C ATOM 0 H PHE A 100 35.801 8.091 -11.840 1.00 0.00 H new ATOM 0 HA PHE A 100 33.978 6.835 -13.533 1.00 0.00 H new ATOM 0 HB2 PHE A 100 35.824 5.736 -12.348 1.00 0.00 H new ATOM 0 HB3 PHE A 100 35.058 6.049 -10.804 1.00 0.00 H new ATOM 0 HD1 PHE A 100 33.568 4.748 -14.018 1.00 0.00 H new ATOM 0 HD2 PHE A 100 34.519 3.953 -9.894 1.00 0.00 H new ATOM 0 HE1 PHE A 100 32.439 2.545 -14.186 1.00 0.00 H new ATOM 0 HE2 PHE A 100 33.336 1.776 -10.046 1.00 0.00 H new ATOM 0 HZ PHE A 100 32.293 1.070 -12.188 1.00 0.00 H new ATOM 1512 N CYS A 101 31.697 7.148 -12.781 1.00 0.00 N ATOM 1513 CA CYS A 101 30.275 7.420 -12.561 1.00 0.00 C ATOM 1514 C CYS A 101 29.937 8.724 -11.816 1.00 0.00 C ATOM 1515 O CYS A 101 28.902 8.806 -11.147 1.00 0.00 O ATOM 1516 CB CYS A 101 29.608 6.188 -11.922 1.00 0.00 C ATOM 1517 SG CYS A 101 30.003 4.661 -12.819 1.00 0.00 S ATOM 0 H CYS A 101 31.883 6.916 -13.757 1.00 0.00 H new ATOM 0 HA CYS A 101 29.855 7.603 -13.550 1.00 0.00 H new ATOM 0 HB2 CYS A 101 29.935 6.095 -10.886 1.00 0.00 H new ATOM 0 HB3 CYS A 101 28.527 6.329 -11.904 1.00 0.00 H new ATOM 0 HG CYS A 101 31.280 4.431 -12.743 1.00 0.00 H new ATOM 1523 N ASN A 102 30.784 9.759 -11.903 1.00 0.00 N ATOM 1524 CA ASN A 102 30.573 11.003 -11.153 1.00 0.00 C ATOM 1525 C ASN A 102 29.236 11.691 -11.471 1.00 0.00 C ATOM 1526 O ASN A 102 28.652 12.310 -10.586 1.00 0.00 O ATOM 1527 CB ASN A 102 31.751 11.962 -11.358 1.00 0.00 C ATOM 1528 CG ASN A 102 31.727 13.108 -10.351 1.00 0.00 C ATOM 1529 OD1 ASN A 102 31.765 12.897 -9.148 1.00 0.00 O ATOM 1530 ND2 ASN A 102 31.680 14.343 -10.792 1.00 0.00 N ATOM 0 H ASN A 102 31.621 9.758 -12.485 1.00 0.00 H new ATOM 0 HA ASN A 102 30.521 10.724 -10.101 1.00 0.00 H new ATOM 0 HB2 ASN A 102 32.688 11.413 -11.263 1.00 0.00 H new ATOM 0 HB3 ASN A 102 31.720 12.366 -12.370 1.00 0.00 H new ATOM 0 HD21 ASN A 102 31.675 15.120 -10.132 1.00 0.00 H new ATOM 0 HD22 ASN A 102 31.648 14.525 -11.795 1.00 0.00 H new ATOM 1537 N GLY A 103 28.710 11.508 -12.687 1.00 0.00 N ATOM 1538 CA GLY A 103 27.417 12.049 -13.103 1.00 0.00 C ATOM 1539 C GLY A 103 26.245 11.609 -12.212 1.00 0.00 C ATOM 1540 O GLY A 103 25.346 12.403 -11.940 1.00 0.00 O ATOM 0 H GLY A 103 29.179 10.972 -13.418 1.00 0.00 H new ATOM 0 HA2 GLY A 103 27.472 13.138 -13.103 1.00 0.00 H new ATOM 0 HA3 GLY A 103 27.217 11.740 -14.129 1.00 0.00 H new ATOM 1544 N GLY A 104 26.294 10.382 -11.670 1.00 0.00 N ATOM 1545 CA GLY A 104 25.338 9.908 -10.658 1.00 0.00 C ATOM 1546 C GLY A 104 25.733 10.278 -9.225 1.00 0.00 C ATOM 1547 O GLY A 104 24.868 10.652 -8.433 1.00 0.00 O ATOM 0 H GLY A 104 26.999 9.690 -11.922 1.00 0.00 H new ATOM 0 HA2 GLY A 104 24.355 10.325 -10.875 1.00 0.00 H new ATOM 0 HA3 GLY A 104 25.248 8.824 -10.734 1.00 0.00 H new ATOM 1551 N LYS A 105 27.031 10.261 -8.887 1.00 0.00 N ATOM 1552 CA LYS A 105 27.536 10.691 -7.560 1.00 0.00 C ATOM 1553 C LYS A 105 27.189 12.145 -7.227 1.00 0.00 C ATOM 1554 O LYS A 105 26.825 12.430 -6.090 1.00 0.00 O ATOM 1555 CB LYS A 105 29.054 10.477 -7.466 1.00 0.00 C ATOM 1556 CG LYS A 105 29.432 8.989 -7.468 1.00 0.00 C ATOM 1557 CD LYS A 105 30.945 8.793 -7.615 1.00 0.00 C ATOM 1558 CE LYS A 105 31.304 7.304 -7.485 1.00 0.00 C ATOM 1559 NZ LYS A 105 32.730 7.058 -7.842 1.00 0.00 N1+ ATOM 0 H LYS A 105 27.766 9.950 -9.522 1.00 0.00 H new ATOM 0 HA LYS A 105 27.031 10.068 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 105 29.542 10.975 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 105 29.429 10.944 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 105 29.092 8.525 -6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 105 28.918 8.483 -8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 105 31.275 9.171 -8.583 1.00 0.00 H new ATOM 0 HD3 LYS A 105 31.469 9.369 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 105 31.120 6.971 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 105 30.657 6.714 -8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 33.004 6.101 -7.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 32.850 7.143 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 33.333 7.758 -7.365 1.00 0.00 H new ATOM 1573 N GLN A 106 27.209 13.041 -8.219 1.00 0.00 N ATOM 1574 CA GLN A 106 26.702 14.414 -8.094 1.00 0.00 C ATOM 1575 C GLN A 106 25.244 14.432 -7.608 1.00 0.00 C ATOM 1576 O GLN A 106 24.912 15.169 -6.681 1.00 0.00 O ATOM 1577 CB GLN A 106 26.823 15.141 -9.450 1.00 0.00 C ATOM 1578 CG GLN A 106 28.258 15.581 -9.771 1.00 0.00 C ATOM 1579 CD GLN A 106 28.399 15.983 -11.238 1.00 0.00 C ATOM 1580 OE1 GLN A 106 28.548 15.147 -12.113 1.00 0.00 O ATOM 1581 NE2 GLN A 106 28.338 17.254 -11.579 1.00 0.00 N ATOM 0 H GLN A 106 27.583 12.831 -9.145 1.00 0.00 H new ATOM 0 HA GLN A 106 27.306 14.933 -7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 106 26.465 14.483 -10.242 1.00 0.00 H new ATOM 0 HB3 GLN A 106 26.173 16.016 -9.446 1.00 0.00 H new ATOM 0 HG2 GLN A 106 28.535 16.421 -9.133 1.00 0.00 H new ATOM 0 HG3 GLN A 106 28.949 14.769 -9.546 1.00 0.00 H new ATOM 0 HE21 GLN A 106 28.214 17.969 -10.862 1.00 0.00 H new ATOM 0 HE22 GLN A 106 28.415 17.523 -12.560 1.00 0.00 H new ATOM 1590 N PHE A 107 24.373 13.593 -8.179 1.00 0.00 N ATOM 1591 CA PHE A 107 22.971 13.520 -7.764 1.00 0.00 C ATOM 1592 C PHE A 107 22.784 12.838 -6.389 1.00 0.00 C ATOM 1593 O PHE A 107 21.852 13.172 -5.664 1.00 0.00 O ATOM 1594 CB PHE A 107 22.133 12.887 -8.879 1.00 0.00 C ATOM 1595 CG PHE A 107 20.686 13.340 -8.855 1.00 0.00 C ATOM 1596 CD1 PHE A 107 19.790 12.789 -7.922 1.00 0.00 C ATOM 1597 CD2 PHE A 107 20.243 14.355 -9.725 1.00 0.00 C ATOM 1598 CE1 PHE A 107 18.461 13.235 -7.857 1.00 0.00 C ATOM 1599 CE2 PHE A 107 18.912 14.810 -9.656 1.00 0.00 C ATOM 1600 CZ PHE A 107 18.022 14.244 -8.725 1.00 0.00 C ATOM 0 H PHE A 107 24.618 12.952 -8.934 1.00 0.00 H new ATOM 0 HA PHE A 107 22.605 14.535 -7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 107 22.572 13.138 -9.845 1.00 0.00 H new ATOM 0 HB3 PHE A 107 22.171 11.802 -8.784 1.00 0.00 H new ATOM 0 HD1 PHE A 107 20.128 12.015 -7.249 1.00 0.00 H new ATOM 0 HD2 PHE A 107 20.924 14.784 -10.445 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.779 12.802 -7.140 1.00 0.00 H new ATOM 0 HE2 PHE A 107 18.574 15.594 -10.318 1.00 0.00 H new ATOM 0 HZ PHE A 107 16.999 14.587 -8.679 1.00 0.00 H new ATOM 1610 N ASP A 108 23.667 11.929 -5.957 1.00 0.00 N ATOM 1611 CA ASP A 108 23.632 11.449 -4.561 1.00 0.00 C ATOM 1612 C ASP A 108 24.044 12.571 -3.586 1.00 0.00 C ATOM 1613 O ASP A 108 23.376 12.806 -2.576 1.00 0.00 O ATOM 1614 CB ASP A 108 24.540 10.233 -4.383 1.00 0.00 C ATOM 1615 CG ASP A 108 24.440 9.677 -2.953 1.00 0.00 C ATOM 1616 OD1 ASP A 108 23.354 9.203 -2.547 1.00 0.00 O1- ATOM 1617 OD2 ASP A 108 25.455 9.674 -2.227 1.00 0.00 O ATOM 0 H ASP A 108 24.400 11.516 -6.534 1.00 0.00 H new ATOM 0 HA ASP A 108 22.608 11.152 -4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 108 24.262 9.459 -5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 108 25.572 10.510 -4.598 1.00 0.00 H new ATOM 1622 N ALA A 109 25.106 13.314 -3.921 1.00 0.00 N ATOM 1623 CA ALA A 109 25.548 14.485 -3.166 1.00 0.00 C ATOM 1624 C ALA A 109 24.467 15.579 -3.065 1.00 0.00 C ATOM 1625 O ALA A 109 24.293 16.148 -1.990 1.00 0.00 O ATOM 1626 CB ALA A 109 26.845 15.021 -3.785 1.00 0.00 C ATOM 0 H ALA A 109 25.687 13.113 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 109 25.738 14.175 -2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 109 27.181 15.895 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 109 27.613 14.249 -3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 109 26.664 15.301 -4.823 1.00 0.00 H new ATOM 1632 N LEU A 110 23.681 15.809 -4.127 1.00 0.00 N ATOM 1633 CA LEU A 110 22.502 16.692 -4.140 1.00 0.00 C ATOM 1634 C LEU A 110 21.515 16.390 -2.994 1.00 0.00 C ATOM 1635 O LEU A 110 20.859 17.302 -2.487 1.00 0.00 O ATOM 1636 CB LEU A 110 21.786 16.506 -5.491 1.00 0.00 C ATOM 1637 CG LEU A 110 20.564 17.399 -5.777 1.00 0.00 C ATOM 1638 CD1 LEU A 110 20.980 18.811 -6.146 1.00 0.00 C ATOM 1639 CD2 LEU A 110 19.741 16.764 -6.903 1.00 0.00 C ATOM 0 H LEU A 110 23.853 15.371 -5.032 1.00 0.00 H new ATOM 0 HA LEU A 110 22.843 17.718 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 110 22.516 16.670 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 110 21.467 15.466 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 110 19.959 17.472 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.092 19.413 -6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 110 21.543 19.251 -5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.604 18.785 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 110 18.872 17.387 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.355 16.680 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 110 19.409 15.772 -6.596 1.00 0.00 H new ATOM 1651 N LEU A 111 21.414 15.121 -2.586 1.00 0.00 N ATOM 1652 CA LEU A 111 20.452 14.634 -1.600 1.00 0.00 C ATOM 1653 C LEU A 111 21.076 14.519 -0.200 1.00 0.00 C ATOM 1654 O LEU A 111 20.443 14.907 0.783 1.00 0.00 O ATOM 1655 CB LEU A 111 19.888 13.288 -2.099 1.00 0.00 C ATOM 1656 CG LEU A 111 19.170 13.366 -3.465 1.00 0.00 C ATOM 1657 CD1 LEU A 111 18.786 11.961 -3.924 1.00 0.00 C ATOM 1658 CD2 LEU A 111 17.914 14.237 -3.406 1.00 0.00 C ATOM 0 H LEU A 111 22.020 14.384 -2.946 1.00 0.00 H new ATOM 0 HA LEU A 111 19.637 15.350 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 111 20.705 12.570 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 111 19.190 12.902 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 111 19.862 13.822 -4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.280 12.019 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 111 19.685 11.352 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 111 18.119 11.508 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 111 17.443 14.263 -4.388 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.216 13.821 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 111 18.187 15.249 -3.108 1.00 0.00 H new ATOM 1670 N GLN A 112 22.333 14.075 -0.084 1.00 0.00 N ATOM 1671 CA GLN A 112 23.055 14.070 1.199 1.00 0.00 C ATOM 1672 C GLN A 112 23.401 15.479 1.703 1.00 0.00 C ATOM 1673 O GLN A 112 23.316 15.728 2.905 1.00 0.00 O ATOM 1674 CB GLN A 112 24.314 13.187 1.111 1.00 0.00 C ATOM 1675 CG GLN A 112 23.954 11.694 1.018 1.00 0.00 C ATOM 1676 CD GLN A 112 23.080 11.234 2.178 1.00 0.00 C ATOM 1677 OE1 GLN A 112 23.428 11.332 3.347 1.00 0.00 O ATOM 1678 NE2 GLN A 112 21.879 10.793 1.890 1.00 0.00 N ATOM 0 H GLN A 112 22.876 13.712 -0.867 1.00 0.00 H new ATOM 0 HA GLN A 112 22.376 13.643 1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 112 24.901 13.475 0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 112 24.940 13.357 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 112 23.434 11.506 0.078 1.00 0.00 H new ATOM 0 HG3 GLN A 112 24.870 11.103 1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 112 21.586 10.710 0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 112 21.238 10.533 2.639 1.00 0.00 H new ATOM 1687 N GLU A 113 23.682 16.434 0.811 1.00 0.00 N ATOM 1688 CA GLU A 113 23.816 17.863 1.154 1.00 0.00 C ATOM 1689 C GLU A 113 22.485 18.474 1.655 1.00 0.00 C ATOM 1690 O GLU A 113 22.476 19.546 2.263 1.00 0.00 O ATOM 1691 CB GLU A 113 24.372 18.619 -0.069 1.00 0.00 C ATOM 1692 CG GLU A 113 24.795 20.063 0.223 1.00 0.00 C ATOM 1693 CD GLU A 113 25.572 20.660 -0.965 1.00 0.00 C ATOM 1694 OE1 GLU A 113 24.942 21.234 -1.887 1.00 0.00 O ATOM 1695 OE2 GLU A 113 26.824 20.574 -0.975 1.00 0.00 O1- ATOM 0 H GLU A 113 23.825 16.240 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 113 24.514 17.961 1.985 1.00 0.00 H new ATOM 0 HB2 GLU A 113 25.231 18.073 -0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 113 23.615 18.626 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 113 23.913 20.670 0.428 1.00 0.00 H new ATOM 0 HG3 GLU A 113 25.415 20.090 1.119 1.00 0.00 H new ATOM 1702 N GLN A 114 21.369 17.756 1.465 1.00 0.00 N ATOM 1703 CA GLN A 114 20.026 18.110 1.934 1.00 0.00 C ATOM 1704 C GLN A 114 19.502 17.137 3.008 1.00 0.00 C ATOM 1705 O GLN A 114 18.329 17.196 3.372 1.00 0.00 O ATOM 1706 CB GLN A 114 19.079 18.230 0.727 1.00 0.00 C ATOM 1707 CG GLN A 114 19.499 19.384 -0.200 1.00 0.00 C ATOM 1708 CD GLN A 114 18.431 19.768 -1.226 1.00 0.00 C ATOM 1709 OE1 GLN A 114 17.421 19.105 -1.433 1.00 0.00 O ATOM 1710 NE2 GLN A 114 18.608 20.886 -1.900 1.00 0.00 N ATOM 0 H GLN A 114 21.381 16.872 0.956 1.00 0.00 H new ATOM 0 HA GLN A 114 20.074 19.079 2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 114 19.078 17.294 0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 114 18.060 18.394 1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 114 19.738 20.257 0.407 1.00 0.00 H new ATOM 0 HG3 GLN A 114 20.411 19.102 -0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 114 19.442 21.451 -1.741 1.00 0.00 H new ATOM 0 HE22 GLN A 114 17.911 21.187 -2.581 1.00 0.00 H new ATOM 1719 N SER A 115 20.356 16.256 3.546 1.00 0.00 N ATOM 1720 CA SER A 115 20.073 15.389 4.706 1.00 0.00 C ATOM 1721 C SER A 115 19.049 14.268 4.451 1.00 0.00 C ATOM 1722 O SER A 115 18.506 13.703 5.402 1.00 0.00 O ATOM 1723 CB SER A 115 19.728 16.211 5.961 1.00 0.00 C ATOM 1724 OG SER A 115 20.732 17.181 6.230 1.00 0.00 O ATOM 0 H SER A 115 21.296 16.120 3.175 1.00 0.00 H new ATOM 0 HA SER A 115 21.009 14.861 4.889 1.00 0.00 H new ATOM 0 HB2 SER A 115 18.767 16.707 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 115 19.622 15.545 6.818 1.00 0.00 H new ATOM 0 HG SER A 115 20.488 17.691 7.031 1.00 0.00 H new ATOM 1730 N ALA A 116 18.776 13.923 3.183 1.00 0.00 N ATOM 1731 CA ALA A 116 17.995 12.731 2.827 1.00 0.00 C ATOM 1732 C ALA A 116 18.678 11.450 3.351 1.00 0.00 C ATOM 1733 O ALA A 116 19.863 11.475 3.691 1.00 0.00 O ATOM 1734 CB ALA A 116 17.843 12.695 1.303 1.00 0.00 C ATOM 0 H ALA A 116 19.091 14.463 2.377 1.00 0.00 H new ATOM 0 HA ALA A 116 17.010 12.778 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 116 17.265 11.816 1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.327 13.594 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 116 18.829 12.648 0.840 1.00 0.00 H new ATOM 1740 N GLN A 117 17.984 10.305 3.377 1.00 0.00 N ATOM 1741 CA GLN A 117 18.474 9.098 4.057 1.00 0.00 C ATOM 1742 C GLN A 117 18.449 7.864 3.148 1.00 0.00 C ATOM 1743 O GLN A 117 17.424 7.206 2.987 1.00 0.00 O ATOM 1744 CB GLN A 117 17.679 8.879 5.359 1.00 0.00 C ATOM 1745 CG GLN A 117 17.699 10.085 6.318 1.00 0.00 C ATOM 1746 CD GLN A 117 16.999 9.762 7.637 1.00 0.00 C ATOM 1747 OE1 GLN A 117 17.509 9.025 8.472 1.00 0.00 O ATOM 1748 NE2 GLN A 117 15.816 10.285 7.886 1.00 0.00 N ATOM 0 H GLN A 117 17.074 10.189 2.931 1.00 0.00 H new ATOM 0 HA GLN A 117 19.523 9.250 4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 117 16.645 8.647 5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 117 18.083 8.009 5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 117 18.730 10.378 6.514 1.00 0.00 H new ATOM 0 HG3 GLN A 117 17.210 10.936 5.844 1.00 0.00 H new ATOM 0 HE21 GLN A 117 15.376 10.901 7.202 1.00 0.00 H new ATOM 0 HE22 GLN A 117 15.339 10.074 8.763 1.00 0.00 H new ATOM 1757 N ARG A 118 19.572 7.558 2.491 1.00 0.00 N ATOM 1758 CA ARG A 118 19.654 6.412 1.575 1.00 0.00 C ATOM 1759 C ARG A 118 19.512 5.084 2.335 1.00 0.00 C ATOM 1760 O ARG A 118 20.192 4.853 3.333 1.00 0.00 O ATOM 1761 CB ARG A 118 20.981 6.473 0.792 1.00 0.00 C ATOM 1762 CG ARG A 118 20.889 5.823 -0.597 1.00 0.00 C ATOM 1763 CD ARG A 118 22.233 5.630 -1.327 1.00 0.00 C ATOM 1764 NE ARG A 118 23.200 6.736 -1.121 1.00 0.00 N ATOM 1765 CZ ARG A 118 24.211 6.759 -0.268 1.00 0.00 C ATOM 1766 NH1 ARG A 118 24.445 5.788 0.575 1.00 0.00 N ATOM 1767 NH2 ARG A 118 25.022 7.773 -0.254 1.00 0.00 N1+ ATOM 0 H ARG A 118 20.439 8.088 2.576 1.00 0.00 H new ATOM 0 HA ARG A 118 18.827 6.464 0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 118 21.283 7.514 0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 118 21.760 5.975 1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 118 20.408 4.850 -0.493 1.00 0.00 H new ATOM 0 HG3 ARG A 118 20.239 6.434 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 118 22.687 4.698 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 118 22.042 5.523 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 118 23.072 7.567 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 118 23.836 4.970 0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 118 25.237 5.848 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 118 24.879 8.549 -0.900 1.00 0.00 H new ATOM 0 HH22 ARG A 118 25.802 7.793 0.403 1.00 0.00 H new ATOM 1781 N VAL A 119 18.667 4.189 1.823 1.00 0.00 N ATOM 1782 CA VAL A 119 18.383 2.849 2.383 1.00 0.00 C ATOM 1783 C VAL A 119 19.344 1.785 1.807 1.00 0.00 C ATOM 1784 O VAL A 119 18.952 0.656 1.516 1.00 0.00 O ATOM 1785 CB VAL A 119 16.891 2.456 2.203 1.00 0.00 C ATOM 1786 CG1 VAL A 119 16.458 1.447 3.275 1.00 0.00 C ATOM 1787 CG2 VAL A 119 15.931 3.646 2.325 1.00 0.00 C ATOM 0 H VAL A 119 18.136 4.376 0.973 1.00 0.00 H new ATOM 0 HA VAL A 119 18.565 2.894 3.457 1.00 0.00 H new ATOM 0 HB VAL A 119 16.832 2.039 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 119 15.410 1.187 3.128 1.00 0.00 H new ATOM 0 HG12 VAL A 119 17.069 0.548 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 119 16.587 1.888 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.906 3.302 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 119 16.034 4.097 3.312 1.00 0.00 H new ATOM 0 HG23 VAL A 119 16.170 4.386 1.561 1.00 0.00 H new ATOM 1797 N GLY A 120 20.608 2.152 1.566 1.00 0.00 N ATOM 1798 CA GLY A 120 21.609 1.273 0.950 1.00 0.00 C ATOM 1799 C GLY A 120 22.885 1.987 0.504 1.00 0.00 C ATOM 1800 O GLY A 120 23.106 3.160 0.814 1.00 0.00 O ATOM 0 H GLY A 120 20.969 3.078 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 120 21.874 0.490 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.161 0.781 0.086 1.00 0.00 H new ATOM 1804 N GLU A 121 23.708 1.272 -0.264 1.00 0.00 N ATOM 1805 CA GLU A 121 24.963 1.753 -0.860 1.00 0.00 C ATOM 1806 C GLU A 121 24.854 1.853 -2.393 1.00 0.00 C ATOM 1807 O GLU A 121 24.064 1.149 -3.030 1.00 0.00 O ATOM 1808 CB GLU A 121 26.125 0.823 -0.466 1.00 0.00 C ATOM 1809 CG GLU A 121 26.408 0.833 1.044 1.00 0.00 C ATOM 1810 CD GLU A 121 27.631 -0.041 1.384 1.00 0.00 C ATOM 1811 OE1 GLU A 121 28.773 0.481 1.386 1.00 0.00 O ATOM 1812 OE2 GLU A 121 27.461 -1.254 1.659 1.00 0.00 O1- ATOM 0 H GLU A 121 23.513 0.299 -0.500 1.00 0.00 H new ATOM 0 HA GLU A 121 25.159 2.753 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 121 25.893 -0.194 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 121 27.025 1.126 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 121 26.584 1.856 1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 121 25.534 0.467 1.584 1.00 0.00 H new ATOM 1819 N MET A 122 25.645 2.750 -2.996 1.00 0.00 N ATOM 1820 CA MET A 122 25.568 3.072 -4.424 1.00 0.00 C ATOM 1821 C MET A 122 26.088 1.929 -5.302 1.00 0.00 C ATOM 1822 O MET A 122 27.143 1.349 -5.021 1.00 0.00 O ATOM 1823 CB MET A 122 26.361 4.361 -4.688 1.00 0.00 C ATOM 1824 CG MET A 122 26.114 4.912 -6.099 1.00 0.00 C ATOM 1825 SD MET A 122 26.985 6.448 -6.527 1.00 0.00 S ATOM 1826 CE MET A 122 26.681 7.470 -5.062 1.00 0.00 C ATOM 0 H MET A 122 26.363 3.277 -2.500 1.00 0.00 H new ATOM 0 HA MET A 122 24.521 3.218 -4.688 1.00 0.00 H new ATOM 0 HB2 MET A 122 26.083 5.115 -3.951 1.00 0.00 H new ATOM 0 HB3 MET A 122 27.425 4.165 -4.557 1.00 0.00 H new ATOM 0 HG2 MET A 122 26.398 4.145 -6.820 1.00 0.00 H new ATOM 0 HG3 MET A 122 25.044 5.081 -6.218 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.002 8.493 -5.259 1.00 0.00 H new ATOM 0 HE2 MET A 122 25.616 7.463 -4.828 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.241 7.070 -4.217 1.00 0.00 H new ATOM 1836 N LEU A 123 25.385 1.651 -6.403 1.00 0.00 N ATOM 1837 CA LEU A 123 25.822 0.710 -7.435 1.00 0.00 C ATOM 1838 C LEU A 123 26.536 1.488 -8.553 1.00 0.00 C ATOM 1839 O LEU A 123 26.034 2.530 -8.975 1.00 0.00 O ATOM 1840 CB LEU A 123 24.568 -0.040 -7.920 1.00 0.00 C ATOM 1841 CG LEU A 123 24.753 -1.334 -8.728 1.00 0.00 C ATOM 1842 CD1 LEU A 123 25.450 -1.111 -10.063 1.00 0.00 C ATOM 1843 CD2 LEU A 123 25.515 -2.408 -7.951 1.00 0.00 C ATOM 0 H LEU A 123 24.482 2.081 -6.605 1.00 0.00 H new ATOM 0 HA LEU A 123 26.539 -0.022 -7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 123 23.966 -0.280 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 123 23.984 0.650 -8.529 1.00 0.00 H new ATOM 0 HG LEU A 123 23.738 -1.682 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 123 25.550 -2.063 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.861 -0.424 -10.671 1.00 0.00 H new ATOM 0 HD13 LEU A 123 26.439 -0.686 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 123 25.617 -3.300 -8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.504 -2.034 -7.688 1.00 0.00 H new ATOM 0 HD23 LEU A 123 24.968 -2.657 -7.042 1.00 0.00 H new ATOM 1855 N LEU A 124 27.684 0.992 -9.036 1.00 0.00 N ATOM 1856 CA LEU A 124 28.542 1.645 -10.041 1.00 0.00 C ATOM 1857 C LEU A 124 28.715 0.764 -11.296 1.00 0.00 C ATOM 1858 O LEU A 124 29.573 -0.121 -11.339 1.00 0.00 O ATOM 1859 CB LEU A 124 29.906 2.017 -9.412 1.00 0.00 C ATOM 1860 CG LEU A 124 29.876 2.843 -8.111 1.00 0.00 C ATOM 1861 CD1 LEU A 124 31.306 3.128 -7.656 1.00 0.00 C ATOM 1862 CD2 LEU A 124 29.170 4.187 -8.281 1.00 0.00 C ATOM 0 H LEU A 124 28.056 0.093 -8.728 1.00 0.00 H new ATOM 0 HA LEU A 124 28.054 2.563 -10.367 1.00 0.00 H new ATOM 0 HB2 LEU A 124 30.451 1.094 -9.214 1.00 0.00 H new ATOM 0 HB3 LEU A 124 30.480 2.573 -10.153 1.00 0.00 H new ATOM 0 HG LEU A 124 29.326 2.252 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 124 31.285 3.712 -6.736 1.00 0.00 H new ATOM 0 HD12 LEU A 124 31.825 2.187 -7.477 1.00 0.00 H new ATOM 0 HD13 LEU A 124 31.829 3.689 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 124 29.179 4.725 -7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 124 29.687 4.776 -9.038 1.00 0.00 H new ATOM 0 HD23 LEU A 124 28.139 4.020 -8.593 1.00 0.00 H new ATOM 1874 N ILE A 125 27.872 0.980 -12.312 1.00 0.00 N ATOM 1875 CA ILE A 125 27.903 0.226 -13.587 1.00 0.00 C ATOM 1876 C ILE A 125 29.000 0.762 -14.524 1.00 0.00 C ATOM 1877 O ILE A 125 29.125 1.972 -14.713 1.00 0.00 O ATOM 1878 CB ILE A 125 26.527 0.250 -14.298 1.00 0.00 C ATOM 1879 CG1 ILE A 125 25.416 -0.176 -13.312 1.00 0.00 C ATOM 1880 CG2 ILE A 125 26.546 -0.667 -15.530 1.00 0.00 C ATOM 1881 CD1 ILE A 125 24.028 -0.445 -13.895 1.00 0.00 C ATOM 0 H ILE A 125 27.139 1.688 -12.280 1.00 0.00 H new ATOM 0 HA ILE A 125 28.136 -0.810 -13.341 1.00 0.00 H new ATOM 0 HB ILE A 125 26.319 1.265 -14.635 1.00 0.00 H new ATOM 0 HG12 ILE A 125 25.748 -1.079 -12.799 1.00 0.00 H new ATOM 0 HG13 ILE A 125 25.319 0.603 -12.555 1.00 0.00 H new ATOM 0 HG21 ILE A 125 25.572 -0.640 -16.019 1.00 0.00 H new ATOM 0 HG22 ILE A 125 27.312 -0.325 -16.226 1.00 0.00 H new ATOM 0 HG23 ILE A 125 26.768 -1.688 -15.220 1.00 0.00 H new ATOM 0 HD11 ILE A 125 23.347 -0.735 -13.095 1.00 0.00 H new ATOM 0 HD12 ILE A 125 23.656 0.458 -14.379 1.00 0.00 H new ATOM 0 HD13 ILE A 125 24.091 -1.250 -14.627 1.00 0.00 H new ATOM 1893 N ASP A 126 29.747 -0.148 -15.162 1.00 0.00 N ATOM 1894 CA ASP A 126 30.940 0.163 -15.957 1.00 0.00 C ATOM 1895 C ASP A 126 30.853 -0.391 -17.391 1.00 0.00 C ATOM 1896 O ASP A 126 31.104 -1.571 -17.653 1.00 0.00 O ATOM 1897 CB ASP A 126 32.166 -0.384 -15.222 1.00 0.00 C ATOM 1898 CG ASP A 126 33.491 -0.097 -15.943 1.00 0.00 C ATOM 1899 OD1 ASP A 126 33.540 0.664 -16.941 1.00 0.00 O ATOM 1900 OD2 ASP A 126 34.525 -0.632 -15.488 1.00 0.00 O1- ATOM 0 H ASP A 126 29.533 -1.145 -15.139 1.00 0.00 H new ATOM 0 HA ASP A 126 31.020 1.245 -16.063 1.00 0.00 H new ATOM 0 HB2 ASP A 126 32.204 0.050 -14.223 1.00 0.00 H new ATOM 0 HB3 ASP A 126 32.055 -1.461 -15.098 1.00 0.00 H new ATOM 1905 N ALA A 127 30.513 0.487 -18.335 1.00 0.00 N ATOM 1906 CA ALA A 127 30.409 0.185 -19.759 1.00 0.00 C ATOM 1907 C ALA A 127 31.705 -0.376 -20.391 1.00 0.00 C ATOM 1908 O ALA A 127 31.633 -0.982 -21.464 1.00 0.00 O ATOM 1909 CB ALA A 127 29.938 1.455 -20.480 1.00 0.00 C ATOM 0 H ALA A 127 30.296 1.460 -18.120 1.00 0.00 H new ATOM 0 HA ALA A 127 29.686 -0.622 -19.876 1.00 0.00 H new ATOM 0 HB1 ALA A 127 29.852 1.256 -21.548 1.00 0.00 H new ATOM 0 HB2 ALA A 127 28.967 1.757 -20.088 1.00 0.00 H new ATOM 0 HB3 ALA A 127 30.660 2.255 -20.317 1.00 0.00 H new ATOM 1915 N SER A 128 32.875 -0.223 -19.749 1.00 0.00 N ATOM 1916 CA SER A 128 34.137 -0.808 -20.231 1.00 0.00 C ATOM 1917 C SER A 128 34.217 -2.337 -20.062 1.00 0.00 C ATOM 1918 O SER A 128 35.061 -2.976 -20.696 1.00 0.00 O ATOM 1919 CB SER A 128 35.348 -0.141 -19.567 1.00 0.00 C ATOM 1920 OG SER A 128 35.515 -0.539 -18.226 1.00 0.00 O ATOM 0 H SER A 128 32.973 0.308 -18.884 1.00 0.00 H new ATOM 0 HA SER A 128 34.156 -0.610 -21.303 1.00 0.00 H new ATOM 0 HB2 SER A 128 36.248 -0.387 -20.130 1.00 0.00 H new ATOM 0 HB3 SER A 128 35.231 0.942 -19.609 1.00 0.00 H new ATOM 0 HG SER A 128 35.100 0.123 -17.634 1.00 0.00 H new ATOM 1926 N GLU A 129 33.332 -2.939 -19.252 1.00 0.00 N ATOM 1927 CA GLU A 129 33.308 -4.387 -18.984 1.00 0.00 C ATOM 1928 C GLU A 129 31.902 -5.020 -18.921 1.00 0.00 C ATOM 1929 O GLU A 129 31.801 -6.250 -18.936 1.00 0.00 O ATOM 1930 CB GLU A 129 34.119 -4.706 -17.717 1.00 0.00 C ATOM 1931 CG GLU A 129 33.543 -4.095 -16.431 1.00 0.00 C ATOM 1932 CD GLU A 129 34.294 -4.606 -15.184 1.00 0.00 C ATOM 1933 OE1 GLU A 129 35.543 -4.496 -15.114 1.00 0.00 O ATOM 1934 OE2 GLU A 129 33.634 -5.137 -14.255 1.00 0.00 O1- ATOM 0 H GLU A 129 32.602 -2.427 -18.757 1.00 0.00 H new ATOM 0 HA GLU A 129 33.775 -4.852 -19.852 1.00 0.00 H new ATOM 0 HB2 GLU A 129 34.176 -5.788 -17.598 1.00 0.00 H new ATOM 0 HB3 GLU A 129 35.139 -4.346 -17.852 1.00 0.00 H new ATOM 0 HG2 GLU A 129 33.611 -3.008 -16.480 1.00 0.00 H new ATOM 0 HG3 GLU A 129 32.485 -4.345 -16.349 1.00 0.00 H new ATOM 1941 N ASN A 130 30.822 -4.227 -18.901 1.00 0.00 N ATOM 1942 CA ASN A 130 29.443 -4.731 -18.908 1.00 0.00 C ATOM 1943 C ASN A 130 28.537 -3.964 -19.910 1.00 0.00 C ATOM 1944 O ASN A 130 28.111 -2.844 -19.612 1.00 0.00 O ATOM 1945 CB ASN A 130 28.883 -4.719 -17.472 1.00 0.00 C ATOM 1946 CG ASN A 130 27.595 -5.527 -17.383 1.00 0.00 C ATOM 1947 OD1 ASN A 130 26.928 -5.809 -18.369 1.00 0.00 O ATOM 1948 ND2 ASN A 130 27.215 -5.973 -16.213 1.00 0.00 N ATOM 0 H ASN A 130 30.882 -3.209 -18.879 1.00 0.00 H new ATOM 0 HA ASN A 130 29.452 -5.761 -19.263 1.00 0.00 H new ATOM 0 HB2 ASN A 130 29.623 -5.130 -16.786 1.00 0.00 H new ATOM 0 HB3 ASN A 130 28.695 -3.692 -17.160 1.00 0.00 H new ATOM 0 HD21 ASN A 130 26.375 -6.546 -16.134 1.00 0.00 H new ATOM 0 HD22 ASN A 130 27.759 -5.748 -15.380 1.00 0.00 H new ATOM 1955 N PRO A 131 28.226 -4.552 -21.086 1.00 0.00 N ATOM 1956 CA PRO A 131 27.329 -3.964 -22.086 1.00 0.00 C ATOM 1957 C PRO A 131 25.822 -4.170 -21.796 1.00 0.00 C ATOM 1958 O PRO A 131 24.984 -3.732 -22.586 1.00 0.00 O ATOM 1959 CB PRO A 131 27.742 -4.633 -23.403 1.00 0.00 C ATOM 1960 CG PRO A 131 28.152 -6.034 -22.962 1.00 0.00 C ATOM 1961 CD PRO A 131 28.797 -5.796 -21.601 1.00 0.00 C ATOM 0 HA PRO A 131 27.432 -2.879 -22.098 1.00 0.00 H new ATOM 0 HB2 PRO A 131 26.919 -4.659 -24.118 1.00 0.00 H new ATOM 0 HB3 PRO A 131 28.565 -4.104 -23.884 1.00 0.00 H new ATOM 0 HG2 PRO A 131 27.293 -6.701 -22.889 1.00 0.00 H new ATOM 0 HG3 PRO A 131 28.850 -6.489 -23.664 1.00 0.00 H new ATOM 0 HD2 PRO A 131 28.594 -6.626 -20.924 1.00 0.00 H new ATOM 0 HD3 PRO A 131 29.880 -5.717 -21.693 1.00 0.00 H new ATOM 1969 N GLU A 132 25.451 -4.817 -20.683 1.00 0.00 N ATOM 1970 CA GLU A 132 24.071 -5.193 -20.323 1.00 0.00 C ATOM 1971 C GLU A 132 23.743 -4.775 -18.870 1.00 0.00 C ATOM 1972 O GLU A 132 23.708 -5.631 -17.979 1.00 0.00 O ATOM 1973 CB GLU A 132 23.853 -6.702 -20.549 1.00 0.00 C ATOM 1974 CG GLU A 132 23.931 -7.108 -22.028 1.00 0.00 C ATOM 1975 CD GLU A 132 23.621 -8.605 -22.204 1.00 0.00 C ATOM 1976 OE1 GLU A 132 22.433 -8.968 -22.384 1.00 0.00 O1- ATOM 1977 OE2 GLU A 132 24.566 -9.434 -22.182 1.00 0.00 O ATOM 0 H GLU A 132 26.129 -5.106 -19.978 1.00 0.00 H new ATOM 0 HA GLU A 132 23.381 -4.655 -20.973 1.00 0.00 H new ATOM 0 HB2 GLU A 132 24.601 -7.259 -19.986 1.00 0.00 H new ATOM 0 HB3 GLU A 132 22.878 -6.986 -20.152 1.00 0.00 H new ATOM 0 HG2 GLU A 132 23.225 -6.516 -22.610 1.00 0.00 H new ATOM 0 HG3 GLU A 132 24.926 -6.890 -22.417 1.00 0.00 H new ATOM 1984 N PRO A 133 23.515 -3.468 -18.600 1.00 0.00 N ATOM 1985 CA PRO A 133 23.351 -2.889 -17.254 1.00 0.00 C ATOM 1986 C PRO A 133 22.383 -3.595 -16.304 1.00 0.00 C ATOM 1987 O PRO A 133 22.566 -3.577 -15.085 1.00 0.00 O ATOM 1988 CB PRO A 133 22.913 -1.440 -17.490 1.00 0.00 C ATOM 1989 CG PRO A 133 23.502 -1.085 -18.850 1.00 0.00 C ATOM 1990 CD PRO A 133 23.459 -2.409 -19.604 1.00 0.00 C ATOM 0 HA PRO A 133 24.301 -2.996 -16.730 1.00 0.00 H new ATOM 0 HB2 PRO A 133 21.827 -1.348 -17.491 1.00 0.00 H new ATOM 0 HB3 PRO A 133 23.289 -0.779 -16.709 1.00 0.00 H new ATOM 0 HG2 PRO A 133 22.917 -0.315 -19.354 1.00 0.00 H new ATOM 0 HG3 PRO A 133 24.520 -0.705 -18.761 1.00 0.00 H new ATOM 0 HD2 PRO A 133 22.548 -2.487 -20.197 1.00 0.00 H new ATOM 0 HD3 PRO A 133 24.298 -2.487 -20.296 1.00 0.00 H new ATOM 1998 N GLU A 134 21.358 -4.253 -16.838 1.00 0.00 N ATOM 1999 CA GLU A 134 20.439 -5.098 -16.065 1.00 0.00 C ATOM 2000 C GLU A 134 21.149 -6.181 -15.244 1.00 0.00 C ATOM 2001 O GLU A 134 20.826 -6.390 -14.077 1.00 0.00 O ATOM 2002 CB GLU A 134 19.411 -5.706 -17.018 1.00 0.00 C ATOM 2003 CG GLU A 134 19.954 -6.668 -18.086 1.00 0.00 C ATOM 2004 CD GLU A 134 18.836 -7.097 -19.055 1.00 0.00 C ATOM 2005 OE1 GLU A 134 18.562 -6.367 -20.038 1.00 0.00 O1- ATOM 2006 OE2 GLU A 134 18.226 -8.175 -18.843 1.00 0.00 O ATOM 0 H GLU A 134 21.135 -4.217 -17.833 1.00 0.00 H new ATOM 0 HA GLU A 134 19.941 -4.466 -15.330 1.00 0.00 H new ATOM 0 HB2 GLU A 134 18.668 -6.239 -16.424 1.00 0.00 H new ATOM 0 HB3 GLU A 134 18.891 -4.892 -17.524 1.00 0.00 H new ATOM 0 HG2 GLU A 134 20.758 -6.185 -18.642 1.00 0.00 H new ATOM 0 HG3 GLU A 134 20.382 -7.548 -17.606 1.00 0.00 H new ATOM 2013 N THR A 135 22.192 -6.799 -15.804 1.00 0.00 N ATOM 2014 CA THR A 135 23.000 -7.844 -15.148 1.00 0.00 C ATOM 2015 C THR A 135 23.840 -7.320 -13.975 1.00 0.00 C ATOM 2016 O THR A 135 24.456 -8.099 -13.245 1.00 0.00 O ATOM 2017 CB THR A 135 23.923 -8.546 -16.154 1.00 0.00 C ATOM 2018 OG1 THR A 135 24.896 -7.658 -16.655 1.00 0.00 O ATOM 2019 CG2 THR A 135 23.141 -9.115 -17.339 1.00 0.00 C ATOM 0 H THR A 135 22.510 -6.585 -16.749 1.00 0.00 H new ATOM 0 HA THR A 135 22.279 -8.555 -14.745 1.00 0.00 H new ATOM 0 HB THR A 135 24.404 -9.361 -15.613 1.00 0.00 H new ATOM 0 HG1 THR A 135 24.467 -6.999 -17.240 1.00 0.00 H new ATOM 0 HG21 THR A 135 23.830 -9.604 -18.028 1.00 0.00 H new ATOM 0 HG22 THR A 135 22.412 -9.841 -16.979 1.00 0.00 H new ATOM 0 HG23 THR A 135 22.624 -8.306 -17.855 1.00 0.00 H new ATOM 2027 N GLU A 136 23.836 -5.999 -13.772 1.00 0.00 N ATOM 2028 CA GLU A 136 24.562 -5.293 -12.707 1.00 0.00 C ATOM 2029 C GLU A 136 23.607 -4.634 -11.694 1.00 0.00 C ATOM 2030 O GLU A 136 24.045 -4.151 -10.653 1.00 0.00 O ATOM 2031 CB GLU A 136 25.477 -4.236 -13.360 1.00 0.00 C ATOM 2032 CG GLU A 136 26.780 -3.976 -12.595 1.00 0.00 C ATOM 2033 CD GLU A 136 27.742 -5.177 -12.692 1.00 0.00 C ATOM 2034 OE1 GLU A 136 28.400 -5.343 -13.748 1.00 0.00 O ATOM 2035 OE2 GLU A 136 27.843 -5.964 -11.717 1.00 0.00 O1- ATOM 0 H GLU A 136 23.305 -5.364 -14.369 1.00 0.00 H new ATOM 0 HA GLU A 136 25.157 -6.015 -12.147 1.00 0.00 H new ATOM 0 HB2 GLU A 136 25.721 -4.558 -14.372 1.00 0.00 H new ATOM 0 HB3 GLU A 136 24.927 -3.299 -13.447 1.00 0.00 H new ATOM 0 HG2 GLU A 136 27.266 -3.086 -12.995 1.00 0.00 H new ATOM 0 HG3 GLU A 136 26.554 -3.773 -11.548 1.00 0.00 H new ATOM 2042 N SER A 137 22.298 -4.637 -11.973 1.00 0.00 N ATOM 2043 CA SER A 137 21.294 -3.863 -11.226 1.00 0.00 C ATOM 2044 C SER A 137 20.020 -4.621 -10.858 1.00 0.00 C ATOM 2045 O SER A 137 19.402 -4.293 -9.849 1.00 0.00 O ATOM 2046 CB SER A 137 20.920 -2.619 -12.038 1.00 0.00 C ATOM 2047 OG SER A 137 20.549 -2.969 -13.361 1.00 0.00 O ATOM 0 H SER A 137 21.899 -5.185 -12.735 1.00 0.00 H new ATOM 0 HA SER A 137 21.766 -3.612 -10.276 1.00 0.00 H new ATOM 0 HB2 SER A 137 20.096 -2.097 -11.551 1.00 0.00 H new ATOM 0 HB3 SER A 137 21.764 -1.930 -12.063 1.00 0.00 H new ATOM 0 HG SER A 137 21.352 -3.180 -13.881 1.00 0.00 H new ATOM 2053 N ASN A 138 19.635 -5.663 -11.595 1.00 0.00 N ATOM 2054 CA ASN A 138 18.446 -6.462 -11.289 1.00 0.00 C ATOM 2055 C ASN A 138 18.425 -7.022 -9.839 1.00 0.00 C ATOM 2056 O ASN A 138 17.483 -6.707 -9.104 1.00 0.00 O ATOM 2057 CB ASN A 138 18.323 -7.529 -12.383 1.00 0.00 C ATOM 2058 CG ASN A 138 17.124 -8.450 -12.199 1.00 0.00 C ATOM 2059 OD1 ASN A 138 17.101 -9.304 -11.325 1.00 0.00 O ATOM 2060 ND2 ASN A 138 16.113 -8.331 -13.026 1.00 0.00 N ATOM 0 H ASN A 138 20.140 -5.978 -12.423 1.00 0.00 H new ATOM 0 HA ASN A 138 17.558 -5.830 -11.302 1.00 0.00 H new ATOM 0 HB2 ASN A 138 18.248 -7.037 -13.353 1.00 0.00 H new ATOM 0 HB3 ASN A 138 19.233 -8.129 -12.399 1.00 0.00 H new ATOM 0 HD21 ASN A 138 15.308 -8.951 -12.940 1.00 0.00 H new ATOM 0 HD22 ASN A 138 16.132 -7.618 -13.755 1.00 0.00 H new ATOM 2067 N PRO A 139 19.463 -7.739 -9.349 1.00 0.00 N ATOM 2068 CA PRO A 139 19.482 -8.211 -7.959 1.00 0.00 C ATOM 2069 C PRO A 139 19.637 -7.067 -6.941 1.00 0.00 C ATOM 2070 O PRO A 139 19.142 -7.178 -5.821 1.00 0.00 O ATOM 2071 CB PRO A 139 20.648 -9.204 -7.875 1.00 0.00 C ATOM 2072 CG PRO A 139 21.601 -8.691 -8.952 1.00 0.00 C ATOM 2073 CD PRO A 139 20.652 -8.214 -10.047 1.00 0.00 C ATOM 0 HA PRO A 139 18.532 -8.679 -7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 139 21.112 -9.202 -6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 139 20.325 -10.226 -8.073 1.00 0.00 H new ATOM 0 HG2 PRO A 139 22.231 -7.882 -8.582 1.00 0.00 H new ATOM 0 HG3 PRO A 139 22.268 -9.476 -9.309 1.00 0.00 H new ATOM 0 HD2 PRO A 139 21.104 -7.418 -10.639 1.00 0.00 H new ATOM 0 HD3 PRO A 139 20.407 -9.023 -10.735 1.00 0.00 H new ATOM 2081 N TRP A 140 20.281 -5.953 -7.322 1.00 0.00 N ATOM 2082 CA TRP A 140 20.408 -4.761 -6.475 1.00 0.00 C ATOM 2083 C TRP A 140 19.039 -4.137 -6.168 1.00 0.00 C ATOM 2084 O TRP A 140 18.732 -3.897 -5.001 1.00 0.00 O ATOM 2085 CB TRP A 140 21.344 -3.741 -7.137 1.00 0.00 C ATOM 2086 CG TRP A 140 21.618 -2.515 -6.311 1.00 0.00 C ATOM 2087 CD1 TRP A 140 22.682 -2.326 -5.497 1.00 0.00 C ATOM 2088 CD2 TRP A 140 20.797 -1.312 -6.158 1.00 0.00 C ATOM 2089 NE1 TRP A 140 22.595 -1.083 -4.893 1.00 0.00 N ATOM 2090 CE2 TRP A 140 21.435 -0.433 -5.233 1.00 0.00 C ATOM 2091 CE3 TRP A 140 19.565 -0.879 -6.687 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 20.886 0.798 -4.849 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 18.987 0.343 -6.302 1.00 0.00 C ATOM 2094 CH2 TRP A 140 19.645 1.181 -5.388 1.00 0.00 C ATOM 0 H TRP A 140 20.730 -5.855 -8.232 1.00 0.00 H new ATOM 0 HA TRP A 140 20.842 -5.066 -5.523 1.00 0.00 H new ATOM 0 HB2 TRP A 140 22.292 -4.230 -7.363 1.00 0.00 H new ATOM 0 HB3 TRP A 140 20.910 -3.433 -8.088 1.00 0.00 H new ATOM 0 HD1 TRP A 140 23.479 -3.038 -5.342 1.00 0.00 H new ATOM 0 HE1 TRP A 140 23.306 -0.698 -4.271 1.00 0.00 H new ATOM 0 HE3 TRP A 140 19.052 -1.501 -7.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 21.406 1.440 -4.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 18.032 0.639 -6.711 1.00 0.00 H new ATOM 0 HH2 TRP A 140 19.198 2.120 -5.099 1.00 0.00 H new ATOM 2105 N VAL A 141 18.190 -3.923 -7.188 1.00 0.00 N ATOM 2106 CA VAL A 141 16.839 -3.370 -6.970 1.00 0.00 C ATOM 2107 C VAL A 141 15.972 -4.377 -6.209 1.00 0.00 C ATOM 2108 O VAL A 141 15.242 -3.975 -5.304 1.00 0.00 O ATOM 2109 CB VAL A 141 16.118 -2.944 -8.266 1.00 0.00 C ATOM 2110 CG1 VAL A 141 14.779 -2.262 -7.938 1.00 0.00 C ATOM 2111 CG2 VAL A 141 16.919 -1.943 -9.109 1.00 0.00 C ATOM 0 H VAL A 141 18.411 -4.122 -8.164 1.00 0.00 H new ATOM 0 HA VAL A 141 16.981 -2.463 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 141 15.985 -3.866 -8.832 1.00 0.00 H new ATOM 0 HG11 VAL A 141 14.284 -1.968 -8.864 1.00 0.00 H new ATOM 0 HG12 VAL A 141 14.142 -2.956 -7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 141 14.961 -1.378 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 141 16.353 -1.687 -10.005 1.00 0.00 H new ATOM 0 HG22 VAL A 141 17.103 -1.041 -8.526 1.00 0.00 H new ATOM 0 HG23 VAL A 141 17.871 -2.389 -9.396 1.00 0.00 H new ATOM 2121 N GLU A 142 16.079 -5.679 -6.517 1.00 0.00 N ATOM 2122 CA GLU A 142 15.353 -6.709 -5.764 1.00 0.00 C ATOM 2123 C GLU A 142 15.732 -6.694 -4.269 1.00 0.00 C ATOM 2124 O GLU A 142 14.839 -6.728 -3.419 1.00 0.00 O ATOM 2125 CB GLU A 142 15.589 -8.109 -6.356 1.00 0.00 C ATOM 2126 CG GLU A 142 14.799 -8.366 -7.649 1.00 0.00 C ATOM 2127 CD GLU A 142 14.955 -9.815 -8.169 1.00 0.00 C ATOM 2128 OE1 GLU A 142 15.967 -10.496 -7.868 1.00 0.00 O1- ATOM 2129 OE2 GLU A 142 14.035 -10.298 -8.875 1.00 0.00 O ATOM 0 H GLU A 142 16.657 -6.040 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 142 14.292 -6.473 -5.849 1.00 0.00 H new ATOM 0 HB2 GLU A 142 16.653 -8.236 -6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 142 15.313 -8.860 -5.615 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.743 -8.160 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 142 15.134 -7.671 -8.419 1.00 0.00 H new ATOM 2136 N HIS A 143 17.025 -6.588 -3.940 1.00 0.00 N ATOM 2137 CA HIS A 143 17.517 -6.446 -2.565 1.00 0.00 C ATOM 2138 C HIS A 143 17.021 -5.154 -1.899 1.00 0.00 C ATOM 2139 O HIS A 143 16.359 -5.226 -0.862 1.00 0.00 O ATOM 2140 CB HIS A 143 19.052 -6.514 -2.555 1.00 0.00 C ATOM 2141 CG HIS A 143 19.645 -6.271 -1.188 1.00 0.00 C ATOM 2142 ND1 HIS A 143 19.848 -7.243 -0.205 1.00 0.00 N ATOM 2143 CD2 HIS A 143 20.026 -5.054 -0.696 1.00 0.00 C ATOM 2144 CE1 HIS A 143 20.349 -6.587 0.858 1.00 0.00 C ATOM 2145 NE2 HIS A 143 20.467 -5.274 0.589 1.00 0.00 N ATOM 0 H HIS A 143 17.772 -6.599 -4.635 1.00 0.00 H new ATOM 0 HA HIS A 143 17.115 -7.272 -1.979 1.00 0.00 H new ATOM 0 HB2 HIS A 143 19.369 -7.493 -2.913 1.00 0.00 H new ATOM 0 HB3 HIS A 143 19.447 -5.776 -3.253 1.00 0.00 H new ATOM 0 HD2 HIS A 143 19.988 -4.107 -1.213 1.00 0.00 H new ATOM 0 HE1 HIS A 143 20.619 -7.050 1.796 1.00 0.00 H new ATOM 0 HE2 HIS A 143 20.823 -4.563 1.228 1.00 0.00 H new ATOM 2153 N TRP A 144 17.296 -3.985 -2.495 1.00 0.00 N ATOM 2154 CA TRP A 144 16.891 -2.676 -1.965 1.00 0.00 C ATOM 2155 C TRP A 144 15.382 -2.631 -1.688 1.00 0.00 C ATOM 2156 O TRP A 144 14.976 -2.293 -0.579 1.00 0.00 O ATOM 2157 CB TRP A 144 17.347 -1.572 -2.937 1.00 0.00 C ATOM 2158 CG TRP A 144 16.970 -0.159 -2.585 1.00 0.00 C ATOM 2159 CD1 TRP A 144 17.641 0.671 -1.746 1.00 0.00 C ATOM 2160 CD2 TRP A 144 15.843 0.627 -3.089 1.00 0.00 C ATOM 2161 NE1 TRP A 144 17.005 1.897 -1.679 1.00 0.00 N ATOM 2162 CE2 TRP A 144 15.879 1.915 -2.472 1.00 0.00 C ATOM 2163 CE3 TRP A 144 14.796 0.384 -4.009 1.00 0.00 C ATOM 2164 CZ2 TRP A 144 14.912 2.895 -2.724 1.00 0.00 C ATOM 2165 CZ3 TRP A 144 13.829 1.374 -4.285 1.00 0.00 C ATOM 2166 CH2 TRP A 144 13.885 2.621 -3.638 1.00 0.00 C ATOM 0 H TRP A 144 17.814 -3.922 -3.372 1.00 0.00 H new ATOM 0 HA TRP A 144 17.378 -2.505 -1.005 1.00 0.00 H new ATOM 0 HB2 TRP A 144 18.432 -1.622 -3.023 1.00 0.00 H new ATOM 0 HB3 TRP A 144 16.938 -1.797 -3.922 1.00 0.00 H new ATOM 0 HD1 TRP A 144 18.541 0.411 -1.209 1.00 0.00 H new ATOM 0 HE1 TRP A 144 17.327 2.684 -1.116 1.00 0.00 H new ATOM 0 HE3 TRP A 144 14.736 -0.572 -4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 144 14.956 3.850 -2.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 144 13.042 1.173 -4.997 1.00 0.00 H new ATOM 0 HH2 TRP A 144 13.135 3.370 -3.846 1.00 0.00 H new ATOM 2177 N GLY A 145 14.563 -3.104 -2.633 1.00 0.00 N ATOM 2178 CA GLY A 145 13.110 -3.262 -2.524 1.00 0.00 C ATOM 2179 C GLY A 145 12.595 -4.033 -1.297 1.00 0.00 C ATOM 2180 O GLY A 145 11.463 -3.783 -0.876 1.00 0.00 O ATOM 0 H GLY A 145 14.915 -3.403 -3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 145 12.658 -2.270 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 145 12.754 -3.769 -3.420 1.00 0.00 H new ATOM 2184 N THR A 146 13.387 -4.923 -0.680 1.00 0.00 N ATOM 2185 CA THR A 146 13.004 -5.609 0.581 1.00 0.00 C ATOM 2186 C THR A 146 12.997 -4.690 1.814 1.00 0.00 C ATOM 2187 O THR A 146 12.368 -5.018 2.822 1.00 0.00 O ATOM 2188 CB THR A 146 13.903 -6.817 0.914 1.00 0.00 C ATOM 2189 OG1 THR A 146 15.219 -6.423 1.231 1.00 0.00 O ATOM 2190 CG2 THR A 146 13.978 -7.852 -0.205 1.00 0.00 C ATOM 0 H THR A 146 14.306 -5.192 -1.031 1.00 0.00 H new ATOM 0 HA THR A 146 11.987 -5.945 0.376 1.00 0.00 H new ATOM 0 HB THR A 146 13.425 -7.276 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 146 15.529 -5.762 0.577 1.00 0.00 H new ATOM 0 HG21 THR A 146 14.628 -8.672 0.101 1.00 0.00 H new ATOM 0 HG22 THR A 146 12.980 -8.238 -0.411 1.00 0.00 H new ATOM 0 HG23 THR A 146 14.380 -7.387 -1.105 1.00 0.00 H new ATOM 2198 N LEU A 147 13.689 -3.547 1.746 1.00 0.00 N ATOM 2199 CA LEU A 147 13.935 -2.631 2.868 1.00 0.00 C ATOM 2200 C LEU A 147 12.885 -1.506 2.971 1.00 0.00 C ATOM 2201 O LEU A 147 12.785 -0.832 4.000 1.00 0.00 O ATOM 2202 CB LEU A 147 15.345 -2.029 2.700 1.00 0.00 C ATOM 2203 CG LEU A 147 16.479 -3.061 2.502 1.00 0.00 C ATOM 2204 CD1 LEU A 147 17.809 -2.349 2.274 1.00 0.00 C ATOM 2205 CD2 LEU A 147 16.637 -3.988 3.709 1.00 0.00 C ATOM 0 H LEU A 147 14.109 -3.221 0.876 1.00 0.00 H new ATOM 0 HA LEU A 147 13.859 -3.201 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 147 15.335 -1.354 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 147 15.573 -1.426 3.579 1.00 0.00 H new ATOM 0 HG LEU A 147 16.206 -3.659 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 147 18.598 -3.088 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 147 17.739 -1.723 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 147 18.041 -1.727 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 147 17.446 -4.695 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 147 16.870 -3.396 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 147 15.708 -4.534 3.872 1.00 0.00 H new ATOM 2217 N LEU A 148 12.109 -1.309 1.902 1.00 0.00 N ATOM 2218 CA LEU A 148 10.993 -0.364 1.796 1.00 0.00 C ATOM 2219 C LEU A 148 9.828 -0.715 2.753 1.00 0.00 C ATOM 2220 O LEU A 148 9.726 -1.848 3.243 1.00 0.00 O ATOM 2221 CB LEU A 148 10.515 -0.370 0.325 1.00 0.00 C ATOM 2222 CG LEU A 148 11.369 0.419 -0.693 1.00 0.00 C ATOM 2223 CD1 LEU A 148 11.185 1.920 -0.513 1.00 0.00 C ATOM 2224 CD2 LEU A 148 12.864 0.143 -0.640 1.00 0.00 C ATOM 0 H LEU A 148 12.250 -1.834 1.039 1.00 0.00 H new ATOM 0 HA LEU A 148 11.334 0.628 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 148 10.461 -1.406 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 148 9.501 0.028 0.297 1.00 0.00 H new ATOM 0 HG LEU A 148 11.001 0.070 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 148 11.797 2.452 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 148 10.137 2.179 -0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 148 11.489 2.206 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 148 13.372 0.745 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 148 13.246 0.399 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 148 13.046 -0.913 -0.837 1.00 0.00 H new ATOM 2236 N SER A 149 8.935 0.260 2.992 1.00 0.00 N ATOM 2237 CA SER A 149 7.683 0.084 3.757 1.00 0.00 C ATOM 2238 C SER A 149 6.807 -1.063 3.236 1.00 0.00 C ATOM 2239 O SER A 149 6.681 -1.235 2.002 1.00 0.00 O ATOM 2240 CB SER A 149 6.847 1.365 3.773 1.00 0.00 C ATOM 2241 OG SER A 149 7.549 2.392 4.461 1.00 0.00 O ATOM 2242 OXT SER A 149 6.183 -1.760 4.069 1.00 0.00 O1- ATOM 0 H SER A 149 9.063 1.213 2.653 1.00 0.00 H new ATOM 0 HA SER A 149 8.006 -0.165 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 149 6.631 1.681 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 149 5.889 1.179 4.259 1.00 0.00 H new ATOM 0 HG SER A 149 7.009 3.210 4.466 1.00 0.00 H new