USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1012 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 99 ASN : amide:sc=-0.00656 K(o=-0.0066,f=-1.2) USER MOD Set 1.2: A 102 MET CE :methyl -136:sc= 0 (180deg=0) USER MOD Set 2.1: A 59 MET CE :methyl 166:sc= -0.0461 (180deg=-0.101) USER MOD Set 2.2: A 88 MET CE :methyl -132:sc= -5.76 (180deg=-12.4!) USER MOD Set 3.1: A 13 SER OG : rot 101:sc= 1.21 USER MOD Set 3.2: A 32 THR OG1 : rot -58:sc= 1.46 USER MOD Single : A 2 SER OG : rot 21:sc= 0.642 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= -1.16 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 170:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0257) USER MOD Single : A 38 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.15) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -160:sc= -0.387 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 51 THR OG1 : rot 100:sc= -0.435 USER MOD Single : A 54 SER OG : rot 180:sc= 0.00759 USER MOD Single : A 55 SER OG : rot -113:sc= -0.045 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 160:sc= -3.77 (180deg=-4.82!) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0266) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -93:sc= -0.19 (180deg=-0.821) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.119 K(o=0.12,f=-0.5) USER MOD Single : A 78 ASN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 76:sc= 1.06 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 93 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 139:sc= -2.39! (180deg=-4.53!) USER MOD Single : A 101 LYS NZ :NH3+ 168:sc= -0.0333 (180deg=-0.292) USER MOD Single : A 103 THR OG1 : rot 106:sc= 1.16 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 106 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot -81:sc= 0.387 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 457 SER OG : rot 180:sc= 0 USER MOD Single : B 460 TYR OH : rot 180:sc= 0 USER MOD Single : B 464 THR OG1 : rot -76:sc= 0.905 USER MOD Single : B 465 THR OG1 : rot -22:sc= 0.883 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.385 20.662 7.898 1.00 0.00 N ATOM 2 CA PRO A 1 -2.874 19.299 8.207 1.00 0.00 C ATOM 3 C PRO A 1 -1.563 19.008 7.480 1.00 0.00 C ATOM 4 O PRO A 1 -1.475 19.141 6.259 1.00 0.00 O ATOM 5 CB PRO A 1 -3.948 18.300 7.786 1.00 0.00 C ATOM 6 CG PRO A 1 -5.110 19.149 7.390 1.00 0.00 C ATOM 7 CD PRO A 1 -4.542 20.494 7.004 1.00 0.00 C ATOM 0 H2 PRO A 1 -2.662 21.226 7.451 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.657 21.148 8.753 1.00 0.00 H new ATOM 0 HA PRO A 1 -2.664 19.220 9.274 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -3.609 17.678 6.957 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -4.208 17.628 8.604 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -5.651 18.702 6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -5.818 19.248 8.213 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -4.243 20.515 5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -5.273 21.291 7.143 1.00 0.00 H new ATOM 17 N SER A 2 -0.547 18.611 8.239 1.00 0.00 N ATOM 18 CA SER A 2 0.759 18.301 7.668 1.00 0.00 C ATOM 19 C SER A 2 1.281 16.968 8.194 1.00 0.00 C ATOM 20 O SER A 2 1.434 16.783 9.401 1.00 0.00 O ATOM 21 CB SER A 2 1.757 19.416 7.989 1.00 0.00 C ATOM 22 OG SER A 2 2.102 19.411 9.363 1.00 0.00 O ATOM 0 H SER A 2 -0.603 18.496 9.251 1.00 0.00 H new ATOM 0 HA SER A 2 0.646 18.224 6.587 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.655 19.289 7.385 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.327 20.381 7.722 1.00 0.00 H new ATOM 0 HG SER A 2 1.902 18.532 9.747 1.00 0.00 H new ATOM 28 N HIS A 3 1.552 16.042 7.279 1.00 0.00 N ATOM 29 CA HIS A 3 2.057 14.726 7.651 1.00 0.00 C ATOM 30 C HIS A 3 1.057 13.989 8.536 1.00 0.00 C ATOM 31 O HIS A 3 0.234 14.609 9.210 1.00 0.00 O ATOM 32 CB HIS A 3 3.398 14.856 8.374 1.00 0.00 C ATOM 33 CG HIS A 3 4.495 15.394 7.509 1.00 0.00 C ATOM 34 ND1 HIS A 3 4.856 16.725 7.491 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.315 14.772 6.628 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.848 16.899 6.635 1.00 0.00 C ATOM 37 NE2 HIS A 3 6.145 15.729 6.099 1.00 0.00 N ATOM 0 H HIS A 3 1.430 16.179 6.276 1.00 0.00 H new ATOM 0 HA HIS A 3 2.200 14.148 6.738 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.274 15.509 9.238 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.693 13.878 8.754 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.316 13.719 6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.333 17.838 6.412 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.873 15.563 5.404 1.00 0.00 H new ATOM 46 N SER A 4 1.134 12.662 8.531 1.00 0.00 N ATOM 47 CA SER A 4 0.236 11.841 9.334 1.00 0.00 C ATOM 48 C SER A 4 -1.218 12.077 8.937 1.00 0.00 C ATOM 49 O SER A 4 -1.550 13.100 8.340 1.00 0.00 O ATOM 50 CB SER A 4 0.427 12.144 10.821 1.00 0.00 C ATOM 51 OG SER A 4 1.801 12.258 11.147 1.00 0.00 O ATOM 0 H SER A 4 1.809 12.133 7.980 1.00 0.00 H new ATOM 0 HA SER A 4 0.478 10.794 9.150 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.088 13.070 11.075 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.027 11.353 11.418 1.00 0.00 H new ATOM 0 HG SER A 4 1.895 12.454 12.103 1.00 0.00 H new ATOM 57 N GLY A 5 -2.080 11.122 9.273 1.00 0.00 N ATOM 58 CA GLY A 5 -3.487 11.246 8.944 1.00 0.00 C ATOM 59 C GLY A 5 -4.288 10.024 9.350 1.00 0.00 C ATOM 60 O GLY A 5 -3.722 8.970 9.637 1.00 0.00 O ATOM 0 H GLY A 5 -1.829 10.266 9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.897 12.126 9.440 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.593 11.406 7.871 1.00 0.00 H new ATOM 64 N ALA A 6 -5.609 10.168 9.376 1.00 0.00 N ATOM 65 CA ALA A 6 -6.490 9.068 9.751 1.00 0.00 C ATOM 66 C ALA A 6 -6.328 7.886 8.801 1.00 0.00 C ATOM 67 O ALA A 6 -6.233 8.062 7.586 1.00 0.00 O ATOM 68 CB ALA A 6 -7.937 9.536 9.773 1.00 0.00 C ATOM 0 H ALA A 6 -6.093 11.035 9.142 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.211 8.736 10.751 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.584 8.705 10.054 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.047 10.343 10.497 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.218 9.896 8.783 1.00 0.00 H new ATOM 74 N ALA A 7 -6.298 6.682 9.363 1.00 0.00 N ATOM 75 CA ALA A 7 -6.148 5.471 8.566 1.00 0.00 C ATOM 76 C ALA A 7 -6.651 4.249 9.327 1.00 0.00 C ATOM 77 O ALA A 7 -6.167 3.942 10.417 1.00 0.00 O ATOM 78 CB ALA A 7 -4.693 5.281 8.163 1.00 0.00 C ATOM 0 H ALA A 7 -6.376 6.519 10.367 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.752 5.581 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.596 4.373 7.568 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.364 6.137 7.574 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.076 5.197 9.057 1.00 0.00 H new ATOM 84 N ILE A 8 -7.626 3.557 8.748 1.00 0.00 N ATOM 85 CA ILE A 8 -8.194 2.369 9.373 1.00 0.00 C ATOM 86 C ILE A 8 -7.645 1.096 8.737 1.00 0.00 C ATOM 87 O ILE A 8 -7.841 0.851 7.547 1.00 0.00 O ATOM 88 CB ILE A 8 -9.731 2.357 9.269 1.00 0.00 C ATOM 89 CG1 ILE A 8 -10.304 3.714 9.684 1.00 0.00 C ATOM 90 CG2 ILE A 8 -10.312 1.245 10.130 1.00 0.00 C ATOM 91 CD1 ILE A 8 -10.213 4.765 8.600 1.00 0.00 C ATOM 0 H ILE A 8 -8.039 3.798 7.847 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.908 2.400 10.424 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.008 2.169 8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.348 3.587 9.969 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -9.774 4.068 10.568 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.399 1.250 10.046 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.926 0.283 9.792 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.028 1.404 11.170 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.638 5.701 8.964 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.168 4.921 8.331 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.767 4.432 7.723 1.00 0.00 H new ATOM 103 N PHE A 9 -6.958 0.290 9.539 1.00 0.00 N ATOM 104 CA PHE A 9 -6.381 -0.959 9.055 1.00 0.00 C ATOM 105 C PHE A 9 -6.920 -2.147 9.845 1.00 0.00 C ATOM 106 O PHE A 9 -6.995 -2.107 11.073 1.00 0.00 O ATOM 107 CB PHE A 9 -4.855 -0.914 9.157 1.00 0.00 C ATOM 108 CG PHE A 9 -4.176 -2.091 8.515 1.00 0.00 C ATOM 109 CD1 PHE A 9 -4.563 -2.531 7.259 1.00 0.00 C ATOM 110 CD2 PHE A 9 -3.151 -2.756 9.168 1.00 0.00 C ATOM 111 CE1 PHE A 9 -3.940 -3.612 6.666 1.00 0.00 C ATOM 112 CE2 PHE A 9 -2.524 -3.838 8.580 1.00 0.00 C ATOM 113 CZ PHE A 9 -2.919 -4.267 7.327 1.00 0.00 C ATOM 0 H PHE A 9 -6.787 0.479 10.527 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.664 -1.081 8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.495 0.002 8.690 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.570 -0.869 10.208 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.361 -2.023 6.738 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.839 -2.425 10.147 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.251 -3.945 5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.726 -4.348 9.099 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.431 -5.113 6.866 1.00 0.00 H new ATOM 123 N GLU A 10 -7.296 -3.204 9.131 1.00 0.00 N ATOM 124 CA GLU A 10 -7.830 -4.404 9.765 1.00 0.00 C ATOM 125 C GLU A 10 -9.123 -4.095 10.512 1.00 0.00 C ATOM 126 O GLU A 10 -9.397 -4.673 11.564 1.00 0.00 O ATOM 127 CB GLU A 10 -6.800 -5.000 10.728 1.00 0.00 C ATOM 128 CG GLU A 10 -5.443 -5.247 10.090 1.00 0.00 C ATOM 129 CD GLU A 10 -4.824 -6.560 10.528 1.00 0.00 C ATOM 130 OE1 GLU A 10 -5.500 -7.604 10.409 1.00 0.00 O ATOM 131 OE2 GLU A 10 -3.664 -6.545 10.989 1.00 0.00 O ATOM 0 H GLU A 10 -7.241 -3.253 8.114 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.048 -5.131 8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.676 -4.327 11.577 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.184 -5.941 11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.549 -5.244 9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.770 -4.429 10.347 1.00 0.00 H new ATOM 138 N LYS A 11 -9.916 -3.181 9.961 1.00 0.00 N ATOM 139 CA LYS A 11 -11.182 -2.794 10.574 1.00 0.00 C ATOM 140 C LYS A 11 -10.953 -2.134 11.930 1.00 0.00 C ATOM 141 O LYS A 11 -11.779 -2.249 12.835 1.00 0.00 O ATOM 142 CB LYS A 11 -12.092 -4.016 10.732 1.00 0.00 C ATOM 143 CG LYS A 11 -13.524 -3.769 10.286 1.00 0.00 C ATOM 144 CD LYS A 11 -14.324 -3.042 11.355 1.00 0.00 C ATOM 145 CE LYS A 11 -14.685 -3.968 12.506 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.001 -3.211 13.749 1.00 0.00 N ATOM 0 H LYS A 11 -9.704 -2.694 9.090 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.668 -2.071 9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.678 -4.844 10.156 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.094 -4.325 11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.524 -3.181 9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.003 -4.720 10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.746 -2.198 11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.234 -2.634 10.916 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.543 -4.579 12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.856 -4.650 12.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.242 -3.878 14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.174 -2.647 14.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.808 -2.579 13.575 1.00 0.00 H new ATOM 160 N VAL A 12 -9.827 -1.441 12.062 1.00 0.00 N ATOM 161 CA VAL A 12 -9.490 -0.761 13.307 1.00 0.00 C ATOM 162 C VAL A 12 -9.197 0.715 13.062 1.00 0.00 C ATOM 163 O VAL A 12 -8.459 1.068 12.143 1.00 0.00 O ATOM 164 CB VAL A 12 -8.272 -1.410 13.993 1.00 0.00 C ATOM 165 CG1 VAL A 12 -7.987 -0.742 15.330 1.00 0.00 C ATOM 166 CG2 VAL A 12 -8.499 -2.902 14.175 1.00 0.00 C ATOM 0 H VAL A 12 -9.133 -1.336 11.322 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.356 -0.854 13.963 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.401 -1.270 13.353 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.123 -1.216 15.797 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.779 0.316 15.171 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.855 -0.847 15.981 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.630 -3.346 14.661 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.382 -3.063 14.794 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.648 -3.369 13.201 1.00 0.00 H new ATOM 176 N SER A 13 -9.782 1.572 13.891 1.00 0.00 N ATOM 177 CA SER A 13 -9.586 3.012 13.765 1.00 0.00 C ATOM 178 C SER A 13 -8.276 3.442 14.417 1.00 0.00 C ATOM 179 O SER A 13 -8.095 3.296 15.626 1.00 0.00 O ATOM 180 CB SER A 13 -10.757 3.764 14.401 1.00 0.00 C ATOM 181 OG SER A 13 -10.872 3.457 15.780 1.00 0.00 O ATOM 0 H SER A 13 -10.396 1.295 14.657 1.00 0.00 H new ATOM 0 HA SER A 13 -9.539 3.256 12.704 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.615 4.837 14.275 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.683 3.502 13.889 1.00 0.00 H new ATOM 0 HG SER A 13 -10.477 4.181 16.310 1.00 0.00 H new ATOM 187 N GLY A 14 -7.365 3.973 13.608 1.00 0.00 N ATOM 188 CA GLY A 14 -6.084 4.418 14.123 1.00 0.00 C ATOM 189 C GLY A 14 -5.476 5.524 13.285 1.00 0.00 C ATOM 190 O GLY A 14 -5.946 5.808 12.183 1.00 0.00 O ATOM 0 H GLY A 14 -7.492 4.103 12.604 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.210 4.769 15.147 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.396 3.573 14.158 1.00 0.00 H new ATOM 194 N ILE A 15 -4.427 6.151 13.807 1.00 0.00 N ATOM 195 CA ILE A 15 -3.753 7.232 13.099 1.00 0.00 C ATOM 196 C ILE A 15 -2.417 6.764 12.532 1.00 0.00 C ATOM 197 O ILE A 15 -1.657 6.068 13.205 1.00 0.00 O ATOM 198 CB ILE A 15 -3.510 8.445 14.019 1.00 0.00 C ATOM 199 CG1 ILE A 15 -4.766 8.759 14.834 1.00 0.00 C ATOM 200 CG2 ILE A 15 -3.089 9.655 13.198 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.994 9.004 13.985 1.00 0.00 C ATOM 0 H ILE A 15 -4.026 5.929 14.718 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.409 7.533 12.282 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.705 8.200 14.711 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.964 7.930 15.514 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.579 9.639 15.450 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.921 10.504 13.861 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.169 9.427 12.660 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.875 9.902 12.484 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.845 9.220 14.630 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.816 9.852 13.323 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.207 8.117 13.389 1.00 0.00 H new ATOM 213 N ILE A 16 -2.137 7.150 11.292 1.00 0.00 N ATOM 214 CA ILE A 16 -0.893 6.766 10.638 1.00 0.00 C ATOM 215 C ILE A 16 0.117 7.912 10.664 1.00 0.00 C ATOM 216 O ILE A 16 -0.225 9.060 10.379 1.00 0.00 O ATOM 217 CB ILE A 16 -1.145 6.309 9.178 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.282 5.091 8.848 1.00 0.00 C ATOM 219 CG2 ILE A 16 -0.878 7.436 8.186 1.00 0.00 C ATOM 220 CD1 ILE A 16 -0.961 4.102 7.927 1.00 0.00 C ATOM 0 H ILE A 16 -2.754 7.728 10.721 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.478 5.926 11.194 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.196 6.033 9.090 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.646 5.428 8.386 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.011 4.585 9.775 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.065 7.081 7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.538 8.276 8.403 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.160 7.758 8.272 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.291 3.264 7.736 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.875 3.737 8.396 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.207 4.592 6.985 1.00 0.00 H new ATOM 232 N ALA A 17 1.360 7.592 11.007 1.00 0.00 N ATOM 233 CA ALA A 17 2.417 8.593 11.070 1.00 0.00 C ATOM 234 C ALA A 17 3.579 8.220 10.156 1.00 0.00 C ATOM 235 O ALA A 17 4.245 7.206 10.365 1.00 0.00 O ATOM 236 CB ALA A 17 2.901 8.760 12.502 1.00 0.00 C ATOM 0 H ALA A 17 1.660 6.647 11.246 1.00 0.00 H new ATOM 0 HA ALA A 17 2.007 9.542 10.725 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.691 9.511 12.534 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.071 9.079 13.132 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.289 7.810 12.868 1.00 0.00 H new ATOM 242 N ILE A 18 3.817 9.046 9.143 1.00 0.00 N ATOM 243 CA ILE A 18 4.899 8.802 8.198 1.00 0.00 C ATOM 244 C ILE A 18 6.198 9.443 8.674 1.00 0.00 C ATOM 245 O ILE A 18 6.212 10.600 9.096 1.00 0.00 O ATOM 246 CB ILE A 18 4.557 9.342 6.797 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.166 8.869 6.370 1.00 0.00 C ATOM 248 CG2 ILE A 18 5.606 8.900 5.788 1.00 0.00 C ATOM 249 CD1 ILE A 18 2.760 9.349 4.994 1.00 0.00 C ATOM 0 H ILE A 18 3.275 9.890 8.956 1.00 0.00 H new ATOM 0 HA ILE A 18 5.029 7.721 8.139 1.00 0.00 H new ATOM 0 HB ILE A 18 4.554 10.431 6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.140 7.779 6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.433 9.217 7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.350 9.290 4.803 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.582 9.282 6.087 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.639 7.811 5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.764 8.976 4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.753 10.439 4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.471 8.979 4.255 1.00 0.00 H new ATOM 261 N ASN A 19 7.286 8.685 8.602 1.00 0.00 N ATOM 262 CA ASN A 19 8.591 9.179 9.025 1.00 0.00 C ATOM 263 C ASN A 19 9.501 9.407 7.823 1.00 0.00 C ATOM 264 O ASN A 19 10.126 8.473 7.320 1.00 0.00 O ATOM 265 CB ASN A 19 9.244 8.191 9.994 1.00 0.00 C ATOM 266 CG ASN A 19 8.903 8.489 11.441 1.00 0.00 C ATOM 267 OD1 ASN A 19 7.735 8.491 11.828 1.00 0.00 O ATOM 268 ND2 ASN A 19 9.926 8.744 12.249 1.00 0.00 N ATOM 0 H ASN A 19 7.290 7.726 8.255 1.00 0.00 H new ATOM 0 HA ASN A 19 8.444 10.132 9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.922 7.179 9.749 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.326 8.221 9.865 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.759 8.952 13.233 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.879 8.732 11.885 1.00 0.00 H new ATOM 275 N GLU A 20 9.571 10.654 7.369 1.00 0.00 N ATOM 276 CA GLU A 20 10.406 11.006 6.227 1.00 0.00 C ATOM 277 C GLU A 20 11.655 11.759 6.676 1.00 0.00 C ATOM 278 O GLU A 20 12.211 12.561 5.927 1.00 0.00 O ATOM 279 CB GLU A 20 9.614 11.856 5.232 1.00 0.00 C ATOM 280 CG GLU A 20 9.133 13.177 5.808 1.00 0.00 C ATOM 281 CD GLU A 20 9.977 14.352 5.354 1.00 0.00 C ATOM 282 OE1 GLU A 20 10.382 14.371 4.173 1.00 0.00 O ATOM 283 OE2 GLU A 20 10.233 15.254 6.180 1.00 0.00 O ATOM 0 H GLU A 20 9.059 11.438 7.775 1.00 0.00 H new ATOM 0 HA GLU A 20 10.717 10.082 5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.237 12.055 4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.753 11.286 4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.097 13.343 5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.149 13.122 6.896 1.00 0.00 H new ATOM 290 N ASP A 21 12.091 11.494 7.904 1.00 0.00 N ATOM 291 CA ASP A 21 13.275 12.146 8.452 1.00 0.00 C ATOM 292 C ASP A 21 14.499 11.248 8.316 1.00 0.00 C ATOM 293 O ASP A 21 15.622 11.730 8.170 1.00 0.00 O ATOM 294 CB ASP A 21 13.051 12.505 9.922 1.00 0.00 C ATOM 295 CG ASP A 21 13.947 13.638 10.383 1.00 0.00 C ATOM 296 OD1 ASP A 21 15.152 13.391 10.601 1.00 0.00 O ATOM 297 OD2 ASP A 21 13.444 14.772 10.525 1.00 0.00 O ATOM 0 H ASP A 21 11.642 10.833 8.538 1.00 0.00 H new ATOM 0 HA ASP A 21 13.452 13.061 7.886 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.008 12.787 10.070 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.234 11.626 10.540 1.00 0.00 H new ATOM 302 N VAL A 22 14.275 9.938 8.365 1.00 0.00 N ATOM 303 CA VAL A 22 15.360 8.972 8.246 1.00 0.00 C ATOM 304 C VAL A 22 15.693 8.701 6.782 1.00 0.00 C ATOM 305 O VAL A 22 15.101 9.297 5.881 1.00 0.00 O ATOM 306 CB VAL A 22 15.007 7.644 8.941 1.00 0.00 C ATOM 307 CG1 VAL A 22 15.039 7.806 10.452 1.00 0.00 C ATOM 308 CG2 VAL A 22 13.646 7.147 8.482 1.00 0.00 C ATOM 0 H VAL A 22 13.352 9.522 8.486 1.00 0.00 H new ATOM 0 HA VAL A 22 16.230 9.407 8.738 1.00 0.00 H new ATOM 0 HB VAL A 22 15.754 6.901 8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.787 6.857 10.925 1.00 0.00 H new ATOM 0 HG12 VAL A 22 16.037 8.113 10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.316 8.564 10.752 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.414 6.208 8.984 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.886 7.888 8.729 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.661 6.988 7.404 1.00 0.00 H new ATOM 318 N SER A 23 16.646 7.805 6.551 1.00 0.00 N ATOM 319 CA SER A 23 17.061 7.462 5.195 1.00 0.00 C ATOM 320 C SER A 23 15.984 6.654 4.471 1.00 0.00 C ATOM 321 O SER A 23 15.469 7.081 3.437 1.00 0.00 O ATOM 322 CB SER A 23 18.375 6.675 5.224 1.00 0.00 C ATOM 323 OG SER A 23 18.674 6.227 6.535 1.00 0.00 O ATOM 0 H SER A 23 17.146 7.303 7.285 1.00 0.00 H new ATOM 0 HA SER A 23 17.212 8.392 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 23 18.305 5.820 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 23 19.187 7.303 4.857 1.00 0.00 H new ATOM 0 HG SER A 23 19.516 5.726 6.525 1.00 0.00 H new ATOM 329 N PRO A 24 15.633 5.469 5.001 1.00 0.00 N ATOM 330 CA PRO A 24 14.619 4.602 4.392 1.00 0.00 C ATOM 331 C PRO A 24 13.200 5.132 4.579 1.00 0.00 C ATOM 332 O PRO A 24 12.340 4.943 3.720 1.00 0.00 O ATOM 333 CB PRO A 24 14.796 3.279 5.137 1.00 0.00 C ATOM 334 CG PRO A 24 15.338 3.669 6.468 1.00 0.00 C ATOM 335 CD PRO A 24 16.202 4.878 6.227 1.00 0.00 C ATOM 0 HA PRO A 24 14.748 4.525 3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.849 2.749 5.234 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.480 2.615 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.532 3.898 7.165 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.918 2.857 6.906 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.161 5.574 7.065 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.248 4.603 6.092 1.00 0.00 H new ATOM 343 N ALA A 25 12.960 5.789 5.709 1.00 0.00 N ATOM 344 CA ALA A 25 11.642 6.338 6.010 1.00 0.00 C ATOM 345 C ALA A 25 10.611 5.224 6.151 1.00 0.00 C ATOM 346 O ALA A 25 10.545 4.319 5.319 1.00 0.00 O ATOM 347 CB ALA A 25 11.218 7.323 4.930 1.00 0.00 C ATOM 0 H ALA A 25 13.661 5.954 6.432 1.00 0.00 H new ATOM 0 HA ALA A 25 11.702 6.869 6.960 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.233 7.723 5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.939 8.139 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.178 6.813 3.968 1.00 0.00 H new ATOM 353 N GLU A 26 9.813 5.290 7.212 1.00 0.00 N ATOM 354 CA GLU A 26 8.793 4.278 7.459 1.00 0.00 C ATOM 355 C GLU A 26 7.448 4.913 7.798 1.00 0.00 C ATOM 356 O GLU A 26 7.356 6.120 8.025 1.00 0.00 O ATOM 357 CB GLU A 26 9.231 3.353 8.596 1.00 0.00 C ATOM 358 CG GLU A 26 10.665 2.865 8.465 1.00 0.00 C ATOM 359 CD GLU A 26 11.156 2.158 9.713 1.00 0.00 C ATOM 360 OE1 GLU A 26 10.309 1.699 10.508 1.00 0.00 O ATOM 361 OE2 GLU A 26 12.388 2.063 9.896 1.00 0.00 O ATOM 0 H GLU A 26 9.853 6.031 7.912 1.00 0.00 H new ATOM 0 HA GLU A 26 8.673 3.697 6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.120 3.879 9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.564 2.491 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.738 2.187 7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.316 3.713 8.253 1.00 0.00 H new ATOM 368 N LEU A 27 6.409 4.086 7.829 1.00 0.00 N ATOM 369 CA LEU A 27 5.061 4.549 8.140 1.00 0.00 C ATOM 370 C LEU A 27 4.488 3.774 9.323 1.00 0.00 C ATOM 371 O LEU A 27 4.288 2.562 9.245 1.00 0.00 O ATOM 372 CB LEU A 27 4.155 4.389 6.916 1.00 0.00 C ATOM 373 CG LEU A 27 2.667 4.637 7.168 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.990 5.145 5.904 1.00 0.00 C ATOM 375 CD2 LEU A 27 1.992 3.366 7.667 1.00 0.00 C ATOM 0 H LEU A 27 6.475 3.086 7.641 1.00 0.00 H new ATOM 0 HA LEU A 27 5.110 5.604 8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.495 5.076 6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.277 3.379 6.524 1.00 0.00 H new ATOM 0 HG LEU A 27 2.569 5.402 7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.932 5.316 6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.457 6.079 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.096 4.404 5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.934 3.560 7.841 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.098 2.580 6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.460 3.047 8.598 1.00 0.00 H new ATOM 387 N THR A 28 4.230 4.479 10.420 1.00 0.00 N ATOM 388 CA THR A 28 3.684 3.854 11.619 1.00 0.00 C ATOM 389 C THR A 28 2.171 4.035 11.693 1.00 0.00 C ATOM 390 O THR A 28 1.628 5.017 11.189 1.00 0.00 O ATOM 391 CB THR A 28 4.340 4.442 12.869 1.00 0.00 C ATOM 392 OG1 THR A 28 5.722 4.667 12.652 1.00 0.00 O ATOM 393 CG2 THR A 28 4.205 3.556 14.089 1.00 0.00 C ATOM 0 H THR A 28 4.390 5.483 10.503 1.00 0.00 H new ATOM 0 HA THR A 28 3.900 2.787 11.569 1.00 0.00 H new ATOM 0 HB THR A 28 3.813 5.377 13.059 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.123 5.045 13.462 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.692 4.032 14.940 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.149 3.404 14.313 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.677 2.593 13.893 1.00 0.00 H new ATOM 401 N TRP A 29 1.498 3.079 12.326 1.00 0.00 N ATOM 402 CA TRP A 29 0.048 3.130 12.469 1.00 0.00 C ATOM 403 C TRP A 29 -0.375 2.648 13.855 1.00 0.00 C ATOM 404 O TRP A 29 -0.284 1.460 14.163 1.00 0.00 O ATOM 405 CB TRP A 29 -0.622 2.277 11.387 1.00 0.00 C ATOM 406 CG TRP A 29 -2.106 2.142 11.560 1.00 0.00 C ATOM 407 CD1 TRP A 29 -3.047 3.111 11.362 1.00 0.00 C ATOM 408 CD2 TRP A 29 -2.817 0.968 11.969 1.00 0.00 C ATOM 409 NE1 TRP A 29 -4.300 2.611 11.623 1.00 0.00 N ATOM 410 CE2 TRP A 29 -4.185 1.298 11.997 1.00 0.00 C ATOM 411 CE3 TRP A 29 -2.430 -0.330 12.314 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -5.166 0.376 12.356 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -3.404 -1.243 12.670 1.00 0.00 C ATOM 414 CH2 TRP A 29 -4.758 -0.887 12.689 1.00 0.00 C ATOM 0 H TRP A 29 1.934 2.259 12.748 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.272 4.165 12.351 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.417 2.717 10.411 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.173 1.284 11.389 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.837 4.122 11.046 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.174 3.133 11.550 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.388 -0.614 12.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.211 0.648 12.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.116 -2.249 12.938 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -5.495 -1.624 12.972 1.00 0.00 H new ATOM 425 N ARG A 30 -0.837 3.577 14.685 1.00 0.00 N ATOM 426 CA ARG A 30 -1.273 3.246 16.036 1.00 0.00 C ATOM 427 C ARG A 30 -2.784 3.403 16.174 1.00 0.00 C ATOM 428 O ARG A 30 -3.364 4.374 15.688 1.00 0.00 O ATOM 429 CB ARG A 30 -0.561 4.136 17.057 1.00 0.00 C ATOM 430 CG ARG A 30 -0.882 5.613 16.905 1.00 0.00 C ATOM 431 CD ARG A 30 0.155 6.483 17.598 1.00 0.00 C ATOM 432 NE ARG A 30 1.517 6.126 17.207 1.00 0.00 N ATOM 433 CZ ARG A 30 2.601 6.476 17.895 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.488 7.192 19.007 1.00 0.00 N ATOM 435 NH2 ARG A 30 3.803 6.110 17.470 1.00 0.00 N ATOM 0 H ARG A 30 -0.919 4.565 14.446 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.015 2.205 16.229 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.836 3.814 18.061 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.516 3.995 16.961 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.925 5.870 15.847 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.868 5.817 17.323 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.029 7.530 17.356 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.050 6.382 18.678 1.00 0.00 H new ATOM 0 HE ARG A 30 1.644 5.576 16.357 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.566 7.477 19.339 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.323 7.457 19.530 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.896 5.560 16.616 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.634 6.378 17.997 1.00 0.00 H new ATOM 449 N SER A 31 -3.416 2.441 16.839 1.00 0.00 N ATOM 450 CA SER A 31 -4.860 2.473 17.041 1.00 0.00 C ATOM 451 C SER A 31 -5.276 3.730 17.799 1.00 0.00 C ATOM 452 O SER A 31 -4.560 4.198 18.684 1.00 0.00 O ATOM 453 CB SER A 31 -5.317 1.228 17.804 1.00 0.00 C ATOM 454 OG SER A 31 -6.622 1.400 18.329 1.00 0.00 O ATOM 0 H SER A 31 -2.951 1.630 17.247 1.00 0.00 H new ATOM 0 HA SER A 31 -5.339 2.486 16.062 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.300 0.364 17.139 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.620 1.019 18.616 1.00 0.00 H new ATOM 0 HG SER A 31 -6.953 0.543 18.669 1.00 0.00 H new ATOM 460 N THR A 32 -6.438 4.270 17.446 1.00 0.00 N ATOM 461 CA THR A 32 -6.949 5.473 18.093 1.00 0.00 C ATOM 462 C THR A 32 -7.141 5.247 19.589 1.00 0.00 C ATOM 463 O THR A 32 -6.897 6.141 20.399 1.00 0.00 O ATOM 464 CB THR A 32 -8.274 5.897 17.456 1.00 0.00 C ATOM 465 OG1 THR A 32 -9.144 4.787 17.323 1.00 0.00 O ATOM 466 CG2 THR A 32 -8.108 6.517 16.085 1.00 0.00 C ATOM 0 H THR A 32 -7.043 3.894 16.716 1.00 0.00 H new ATOM 0 HA THR A 32 -6.216 6.268 17.955 1.00 0.00 H new ATOM 0 HB THR A 32 -8.691 6.647 18.128 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.707 4.091 16.788 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.085 6.795 15.691 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.481 7.406 16.161 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.637 5.798 15.415 1.00 0.00 H new ATOM 474 N ASP A 33 -7.580 4.045 19.948 1.00 0.00 N ATOM 475 CA ASP A 33 -7.804 3.700 21.347 1.00 0.00 C ATOM 476 C ASP A 33 -8.031 2.200 21.508 1.00 0.00 C ATOM 477 O ASP A 33 -9.162 1.748 21.685 1.00 0.00 O ATOM 478 CB ASP A 33 -9.005 4.472 21.898 1.00 0.00 C ATOM 479 CG ASP A 33 -8.958 4.615 23.407 1.00 0.00 C ATOM 480 OD1 ASP A 33 -8.605 3.628 24.086 1.00 0.00 O ATOM 481 OD2 ASP A 33 -9.274 5.714 23.909 1.00 0.00 O ATOM 0 H ASP A 33 -7.788 3.294 19.290 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.913 3.977 21.911 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.037 5.462 21.443 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.924 3.960 21.613 1.00 0.00 H new ATOM 486 N GLY A 34 -6.947 1.433 21.445 1.00 0.00 N ATOM 487 CA GLY A 34 -7.049 -0.007 21.585 1.00 0.00 C ATOM 488 C GLY A 34 -5.748 -0.640 22.038 1.00 0.00 C ATOM 489 O GLY A 34 -5.316 -0.441 23.174 1.00 0.00 O ATOM 0 H GLY A 34 -6.000 1.784 21.300 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.834 -0.244 22.303 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.348 -0.441 20.631 1.00 0.00 H new ATOM 493 N ASP A 35 -5.122 -1.404 21.149 1.00 0.00 N ATOM 494 CA ASP A 35 -3.863 -2.068 21.463 1.00 0.00 C ATOM 495 C ASP A 35 -3.293 -2.765 20.232 1.00 0.00 C ATOM 496 O ASP A 35 -2.711 -3.845 20.332 1.00 0.00 O ATOM 497 CB ASP A 35 -4.064 -3.082 22.591 1.00 0.00 C ATOM 498 CG ASP A 35 -2.874 -3.150 23.527 1.00 0.00 C ATOM 499 OD1 ASP A 35 -1.810 -3.644 23.098 1.00 0.00 O ATOM 500 OD2 ASP A 35 -3.005 -2.710 24.688 1.00 0.00 O ATOM 0 H ASP A 35 -5.467 -1.578 20.205 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.152 -1.309 21.789 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.955 -2.816 23.160 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.242 -4.068 22.162 1.00 0.00 H new ATOM 505 N LYS A 36 -3.464 -2.140 19.072 1.00 0.00 N ATOM 506 CA LYS A 36 -2.967 -2.701 17.821 1.00 0.00 C ATOM 507 C LYS A 36 -2.228 -1.644 17.007 1.00 0.00 C ATOM 508 O LYS A 36 -2.803 -0.622 16.630 1.00 0.00 O ATOM 509 CB LYS A 36 -4.123 -3.278 17.001 1.00 0.00 C ATOM 510 CG LYS A 36 -4.369 -4.757 17.254 1.00 0.00 C ATOM 511 CD LYS A 36 -5.224 -4.976 18.492 1.00 0.00 C ATOM 512 CE LYS A 36 -4.844 -6.260 19.211 1.00 0.00 C ATOM 513 NZ LYS A 36 -5.031 -7.457 18.346 1.00 0.00 N ATOM 0 H LYS A 36 -3.943 -1.245 18.972 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.268 -3.502 18.063 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.033 -2.723 17.230 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.916 -3.129 15.941 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.862 -5.198 16.388 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.415 -5.270 17.374 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.108 -4.130 19.170 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.275 -5.015 18.207 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.804 -6.202 19.531 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.449 -6.365 20.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.892 -8.319 18.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.993 -7.453 17.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.338 -7.436 17.570 1.00 0.00 H new ATOM 527 N VAL A 37 -0.951 -1.896 16.738 1.00 0.00 N ATOM 528 CA VAL A 37 -0.134 -0.965 15.969 1.00 0.00 C ATOM 529 C VAL A 37 0.653 -1.693 14.883 1.00 0.00 C ATOM 530 O VAL A 37 1.179 -2.783 15.108 1.00 0.00 O ATOM 531 CB VAL A 37 0.845 -0.194 16.877 1.00 0.00 C ATOM 532 CG1 VAL A 37 1.826 -1.147 17.545 1.00 0.00 C ATOM 533 CG2 VAL A 37 1.583 0.875 16.084 1.00 0.00 C ATOM 0 H VAL A 37 -0.460 -2.737 17.041 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.816 -0.254 15.502 1.00 0.00 H new ATOM 0 HB VAL A 37 0.269 0.300 17.659 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.507 -0.581 18.181 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.277 -1.868 18.152 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.397 -1.676 16.782 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.269 1.408 16.742 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.146 0.406 15.277 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.864 1.578 15.664 1.00 0.00 H new ATOM 543 N HIS A 38 0.730 -1.083 13.705 1.00 0.00 N ATOM 544 CA HIS A 38 1.453 -1.672 12.584 1.00 0.00 C ATOM 545 C HIS A 38 2.366 -0.644 11.923 1.00 0.00 C ATOM 546 O HIS A 38 2.050 0.545 11.882 1.00 0.00 O ATOM 547 CB HIS A 38 0.471 -2.235 11.555 1.00 0.00 C ATOM 548 CG HIS A 38 1.122 -3.080 10.505 1.00 0.00 C ATOM 549 ND1 HIS A 38 2.092 -4.019 10.788 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.939 -3.125 9.164 1.00 0.00 C ATOM 551 CE1 HIS A 38 2.477 -4.604 9.668 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.792 -4.080 8.668 1.00 0.00 N ATOM 0 H HIS A 38 0.300 -0.180 13.502 1.00 0.00 H new ATOM 0 HA HIS A 38 2.070 -2.484 12.970 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.283 -2.829 12.072 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.050 -1.408 11.072 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.250 -2.522 8.591 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.225 -5.379 9.584 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.882 -4.342 7.686 1.00 0.00 H new ATOM 561 N THR A 39 3.498 -1.110 11.406 1.00 0.00 N ATOM 562 CA THR A 39 4.456 -0.231 10.746 1.00 0.00 C ATOM 563 C THR A 39 4.817 -0.759 9.361 1.00 0.00 C ATOM 564 O THR A 39 4.843 -1.969 9.135 1.00 0.00 O ATOM 565 CB THR A 39 5.720 -0.090 11.596 1.00 0.00 C ATOM 566 OG1 THR A 39 5.436 -0.337 12.962 1.00 0.00 O ATOM 567 CG2 THR A 39 6.357 1.279 11.500 1.00 0.00 C ATOM 0 H THR A 39 3.774 -2.092 11.431 1.00 0.00 H new ATOM 0 HA THR A 39 3.992 0.749 10.631 1.00 0.00 H new ATOM 0 HB THR A 39 6.419 -0.826 11.198 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.257 -0.244 13.489 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.248 1.310 12.127 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.634 1.480 10.465 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.648 2.035 11.839 1.00 0.00 H new ATOM 575 N VAL A 40 5.096 0.156 8.439 1.00 0.00 N ATOM 576 CA VAL A 40 5.457 -0.216 7.076 1.00 0.00 C ATOM 577 C VAL A 40 6.551 0.695 6.531 1.00 0.00 C ATOM 578 O VAL A 40 6.378 1.911 6.448 1.00 0.00 O ATOM 579 CB VAL A 40 4.234 -0.162 6.138 1.00 0.00 C ATOM 580 CG1 VAL A 40 4.636 -0.461 4.700 1.00 0.00 C ATOM 581 CG2 VAL A 40 3.164 -1.135 6.607 1.00 0.00 C ATOM 0 H VAL A 40 5.079 1.161 8.611 1.00 0.00 H new ATOM 0 HA VAL A 40 5.829 -1.240 7.112 1.00 0.00 H new ATOM 0 HB VAL A 40 3.825 0.848 6.170 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.755 -0.417 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.366 0.276 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.075 -1.457 4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.307 -1.085 5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.567 -2.148 6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.849 -0.871 7.616 1.00 0.00 H new ATOM 591 N VAL A 41 7.676 0.097 6.156 1.00 0.00 N ATOM 592 CA VAL A 41 8.798 0.853 5.614 1.00 0.00 C ATOM 593 C VAL A 41 8.536 1.253 4.166 1.00 0.00 C ATOM 594 O VAL A 41 8.650 0.433 3.255 1.00 0.00 O ATOM 595 CB VAL A 41 10.110 0.047 5.686 1.00 0.00 C ATOM 596 CG1 VAL A 41 11.286 0.890 5.216 1.00 0.00 C ATOM 597 CG2 VAL A 41 10.345 -0.464 7.100 1.00 0.00 C ATOM 0 H VAL A 41 7.835 -0.909 6.217 1.00 0.00 H new ATOM 0 HA VAL A 41 8.902 1.750 6.225 1.00 0.00 H new ATOM 0 HB VAL A 41 10.022 -0.812 5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.202 0.302 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.121 1.202 4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.379 1.771 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.276 -1.031 7.132 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.411 0.381 7.786 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.517 -1.108 7.396 1.00 0.00 H new ATOM 607 N LEU A 42 8.184 2.518 3.961 1.00 0.00 N ATOM 608 CA LEU A 42 7.904 3.028 2.623 1.00 0.00 C ATOM 609 C LEU A 42 9.082 2.784 1.682 1.00 0.00 C ATOM 610 O LEU A 42 8.913 2.728 0.464 1.00 0.00 O ATOM 611 CB LEU A 42 7.582 4.522 2.682 1.00 0.00 C ATOM 612 CG LEU A 42 6.365 4.890 3.534 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.078 6.380 3.439 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.149 4.080 3.106 1.00 0.00 C ATOM 0 H LEU A 42 8.086 3.209 4.705 1.00 0.00 H new ATOM 0 HA LEU A 42 7.039 2.491 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.452 5.050 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.418 4.883 1.667 1.00 0.00 H new ATOM 0 HG LEU A 42 6.587 4.650 4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.209 6.623 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.942 6.940 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.877 6.646 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.293 4.355 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.924 4.287 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.358 3.017 3.229 1.00 0.00 H new ATOM 626 N SER A 43 10.274 2.638 2.254 1.00 0.00 N ATOM 627 CA SER A 43 11.476 2.399 1.463 1.00 0.00 C ATOM 628 C SER A 43 11.336 1.129 0.628 1.00 0.00 C ATOM 629 O SER A 43 11.709 1.102 -0.545 1.00 0.00 O ATOM 630 CB SER A 43 12.699 2.290 2.376 1.00 0.00 C ATOM 631 OG SER A 43 13.816 2.956 1.813 1.00 0.00 O ATOM 0 H SER A 43 10.433 2.681 3.261 1.00 0.00 H new ATOM 0 HA SER A 43 11.609 3.244 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 43 12.469 2.720 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.942 1.240 2.540 1.00 0.00 H new ATOM 0 HG SER A 43 14.639 2.621 2.226 1.00 0.00 H new ATOM 637 N THR A 44 10.796 0.080 1.240 1.00 0.00 N ATOM 638 CA THR A 44 10.608 -1.192 0.551 1.00 0.00 C ATOM 639 C THR A 44 9.496 -1.091 -0.490 1.00 0.00 C ATOM 640 O THR A 44 9.497 -1.816 -1.485 1.00 0.00 O ATOM 641 CB THR A 44 10.285 -2.300 1.556 1.00 0.00 C ATOM 642 OG1 THR A 44 10.235 -3.561 0.913 1.00 0.00 O ATOM 643 CG2 THR A 44 8.966 -2.097 2.270 1.00 0.00 C ATOM 0 H THR A 44 10.481 0.085 2.210 1.00 0.00 H new ATOM 0 HA THR A 44 11.538 -1.438 0.038 1.00 0.00 H new ATOM 0 HB THR A 44 11.087 -2.263 2.293 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.029 -4.256 1.572 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.800 -2.918 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.990 -1.155 2.818 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.157 -2.071 1.540 1.00 0.00 H new ATOM 651 N ILE A 45 8.550 -0.187 -0.255 1.00 0.00 N ATOM 652 CA ILE A 45 7.435 0.008 -1.175 1.00 0.00 C ATOM 653 C ILE A 45 7.936 0.397 -2.563 1.00 0.00 C ATOM 654 O ILE A 45 9.001 0.997 -2.703 1.00 0.00 O ATOM 655 CB ILE A 45 6.465 1.092 -0.664 1.00 0.00 C ATOM 656 CG1 ILE A 45 6.012 0.774 0.762 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.262 1.212 -1.590 1.00 0.00 C ATOM 658 CD1 ILE A 45 5.244 -0.525 0.878 1.00 0.00 C ATOM 0 H ILE A 45 8.533 0.421 0.564 1.00 0.00 H new ATOM 0 HA ILE A 45 6.902 -0.941 -1.236 1.00 0.00 H new ATOM 0 HB ILE A 45 6.990 2.047 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.887 0.728 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.387 1.590 1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.588 1.982 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.599 1.482 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.737 0.258 -1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.955 -0.685 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.350 -0.476 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.873 -1.351 0.545 1.00 0.00 H new ATOM 670 N ASP A 46 7.162 0.048 -3.585 1.00 0.00 N ATOM 671 CA ASP A 46 7.530 0.358 -4.962 1.00 0.00 C ATOM 672 C ASP A 46 6.448 1.189 -5.644 1.00 0.00 C ATOM 673 O ASP A 46 6.743 2.160 -6.340 1.00 0.00 O ATOM 674 CB ASP A 46 7.772 -0.930 -5.750 1.00 0.00 C ATOM 675 CG ASP A 46 8.543 -0.689 -7.033 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.416 0.204 -7.041 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.273 -1.391 -8.029 1.00 0.00 O ATOM 0 H ASP A 46 6.277 -0.449 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 46 8.450 0.942 -4.941 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.321 -1.636 -5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.814 -1.393 -5.987 1.00 0.00 H new ATOM 682 N LYS A 47 5.193 0.800 -5.443 1.00 0.00 N ATOM 683 CA LYS A 47 4.068 1.509 -6.041 1.00 0.00 C ATOM 684 C LYS A 47 3.007 1.832 -4.995 1.00 0.00 C ATOM 685 O LYS A 47 3.031 1.300 -3.885 1.00 0.00 O ATOM 686 CB LYS A 47 3.450 0.677 -7.167 1.00 0.00 C ATOM 687 CG LYS A 47 4.477 0.007 -8.066 1.00 0.00 C ATOM 688 CD LYS A 47 4.262 0.366 -9.528 1.00 0.00 C ATOM 689 CE LYS A 47 3.485 -0.717 -10.259 1.00 0.00 C ATOM 690 NZ LYS A 47 2.824 -0.194 -11.486 1.00 0.00 N ATOM 0 H LYS A 47 4.930 -0.002 -4.871 1.00 0.00 H new ATOM 0 HA LYS A 47 4.444 2.445 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.808 -0.088 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.813 1.320 -7.774 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.479 0.307 -7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.417 -1.075 -7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.723 1.311 -9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.227 0.514 -10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.160 -1.529 -10.529 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.732 -1.137 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.305 -0.963 -11.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.161 0.564 -11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.544 0.183 -12.134 1.00 0.00 H new ATOM 704 N LEU A 48 2.074 2.706 -5.358 1.00 0.00 N ATOM 705 CA LEU A 48 1.001 3.100 -4.454 1.00 0.00 C ATOM 706 C LEU A 48 -0.270 3.426 -5.232 1.00 0.00 C ATOM 707 O LEU A 48 -0.306 4.380 -6.009 1.00 0.00 O ATOM 708 CB LEU A 48 1.427 4.308 -3.618 1.00 0.00 C ATOM 709 CG LEU A 48 1.990 5.485 -4.418 1.00 0.00 C ATOM 710 CD1 LEU A 48 0.904 6.513 -4.694 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.156 6.123 -3.677 1.00 0.00 C ATOM 0 H LEU A 48 2.040 3.155 -6.273 1.00 0.00 H new ATOM 0 HA LEU A 48 0.794 2.263 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.567 4.656 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.179 3.985 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 48 2.354 5.108 -5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.324 7.342 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.101 6.049 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.507 6.886 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.544 6.958 -4.260 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.816 6.485 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.944 5.384 -3.533 1.00 0.00 H new ATOM 723 N GLN A 49 -1.310 2.626 -5.021 1.00 0.00 N ATOM 724 CA GLN A 49 -2.582 2.830 -5.706 1.00 0.00 C ATOM 725 C GLN A 49 -3.671 3.247 -4.723 1.00 0.00 C ATOM 726 O GLN A 49 -3.519 3.097 -3.511 1.00 0.00 O ATOM 727 CB GLN A 49 -2.999 1.553 -6.439 1.00 0.00 C ATOM 728 CG GLN A 49 -3.491 1.798 -7.856 1.00 0.00 C ATOM 729 CD GLN A 49 -2.395 1.632 -8.891 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.520 0.837 -9.822 1.00 0.00 O ATOM 731 NE2 GLN A 49 -1.312 2.383 -8.731 1.00 0.00 N ATOM 0 H GLN A 49 -1.297 1.831 -4.382 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.451 3.632 -6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.151 0.869 -6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.786 1.058 -5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.304 1.107 -8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.901 2.805 -7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.251 3.029 -7.944 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.541 2.314 -9.395 1.00 0.00 H new ATOM 740 N ALA A 50 -4.770 3.772 -5.256 1.00 0.00 N ATOM 741 CA ALA A 50 -5.887 4.212 -4.428 1.00 0.00 C ATOM 742 C ALA A 50 -7.213 4.035 -5.160 1.00 0.00 C ATOM 743 O ALA A 50 -7.283 4.176 -6.381 1.00 0.00 O ATOM 744 CB ALA A 50 -5.699 5.664 -4.018 1.00 0.00 C ATOM 0 H ALA A 50 -4.911 3.903 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.910 3.593 -3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.540 5.979 -3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.774 5.765 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.648 6.290 -4.909 1.00 0.00 H new ATOM 750 N THR A 51 -8.262 3.725 -4.406 1.00 0.00 N ATOM 751 CA THR A 51 -9.587 3.528 -4.983 1.00 0.00 C ATOM 752 C THR A 51 -10.059 4.789 -5.705 1.00 0.00 C ATOM 753 O THR A 51 -9.702 5.903 -5.323 1.00 0.00 O ATOM 754 CB THR A 51 -10.589 3.144 -3.894 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.858 4.248 -3.048 1.00 0.00 O ATOM 756 CG2 THR A 51 -10.116 2.002 -3.021 1.00 0.00 C ATOM 0 H THR A 51 -8.221 3.605 -3.394 1.00 0.00 H new ATOM 0 HA THR A 51 -9.523 2.717 -5.709 1.00 0.00 H new ATOM 0 HB THR A 51 -11.486 2.826 -4.426 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.706 4.663 -3.311 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.874 1.780 -2.270 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.947 1.119 -3.637 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.186 2.283 -2.527 1.00 0.00 H new ATOM 764 N PRO A 52 -10.872 4.627 -6.763 1.00 0.00 N ATOM 765 CA PRO A 52 -11.393 5.758 -7.538 1.00 0.00 C ATOM 766 C PRO A 52 -12.420 6.572 -6.758 1.00 0.00 C ATOM 767 O PRO A 52 -13.027 6.077 -5.809 1.00 0.00 O ATOM 768 CB PRO A 52 -12.048 5.089 -8.748 1.00 0.00 C ATOM 769 CG PRO A 52 -12.410 3.724 -8.275 1.00 0.00 C ATOM 770 CD PRO A 52 -11.347 3.332 -7.286 1.00 0.00 C ATOM 0 HA PRO A 52 -10.608 6.468 -7.800 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.929 5.641 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.364 5.046 -9.595 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.396 3.721 -7.810 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.448 3.020 -9.107 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.749 2.701 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.542 2.771 -7.762 1.00 0.00 H new ATOM 778 N ALA A 53 -12.610 7.822 -7.166 1.00 0.00 N ATOM 779 CA ALA A 53 -13.565 8.705 -6.506 1.00 0.00 C ATOM 780 C ALA A 53 -14.977 8.132 -6.568 1.00 0.00 C ATOM 781 O ALA A 53 -15.798 8.384 -5.686 1.00 0.00 O ATOM 782 CB ALA A 53 -13.526 10.088 -7.138 1.00 0.00 C ATOM 0 H ALA A 53 -12.115 8.247 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.282 8.788 -5.457 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.243 10.738 -6.636 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.525 10.506 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.782 10.012 -8.195 1.00 0.00 H new ATOM 788 N SER A 54 -15.253 7.361 -7.615 1.00 0.00 N ATOM 789 CA SER A 54 -16.567 6.753 -7.790 1.00 0.00 C ATOM 790 C SER A 54 -16.839 5.720 -6.702 1.00 0.00 C ATOM 791 O SER A 54 -17.987 5.500 -6.313 1.00 0.00 O ATOM 792 CB SER A 54 -16.669 6.098 -9.168 1.00 0.00 C ATOM 793 OG SER A 54 -15.990 6.863 -10.149 1.00 0.00 O ATOM 0 H SER A 54 -14.585 7.143 -8.354 1.00 0.00 H new ATOM 0 HA SER A 54 -17.317 7.540 -7.713 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.246 5.094 -9.129 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.717 5.992 -9.447 1.00 0.00 H new ATOM 0 HG SER A 54 -16.069 6.422 -11.020 1.00 0.00 H new ATOM 799 N SER A 55 -15.777 5.087 -6.213 1.00 0.00 N ATOM 800 CA SER A 55 -15.902 4.076 -5.169 1.00 0.00 C ATOM 801 C SER A 55 -16.543 4.664 -3.916 1.00 0.00 C ATOM 802 O SER A 55 -16.112 5.702 -3.415 1.00 0.00 O ATOM 803 CB SER A 55 -14.530 3.493 -4.828 1.00 0.00 C ATOM 804 OG SER A 55 -14.656 2.299 -4.075 1.00 0.00 O ATOM 0 H SER A 55 -14.820 5.256 -6.523 1.00 0.00 H new ATOM 0 HA SER A 55 -16.545 3.280 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.979 3.291 -5.746 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.951 4.224 -4.263 1.00 0.00 H new ATOM 0 HG SER A 55 -14.304 2.443 -3.172 1.00 0.00 H new ATOM 810 N GLU A 56 -17.576 3.994 -3.416 1.00 0.00 N ATOM 811 CA GLU A 56 -18.277 4.450 -2.222 1.00 0.00 C ATOM 812 C GLU A 56 -17.331 4.522 -1.028 1.00 0.00 C ATOM 813 O GLU A 56 -17.501 5.355 -0.138 1.00 0.00 O ATOM 814 CB GLU A 56 -19.446 3.515 -1.904 1.00 0.00 C ATOM 815 CG GLU A 56 -20.493 3.455 -3.004 1.00 0.00 C ATOM 816 CD GLU A 56 -21.646 2.532 -2.661 1.00 0.00 C ATOM 817 OE1 GLU A 56 -21.428 1.303 -2.608 1.00 0.00 O ATOM 818 OE2 GLU A 56 -22.768 3.038 -2.446 1.00 0.00 O ATOM 0 H GLU A 56 -17.946 3.133 -3.819 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.662 5.451 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.060 2.511 -1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.921 3.842 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.878 4.458 -3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.025 3.117 -3.928 1.00 0.00 H new ATOM 825 N LYS A 57 -16.333 3.644 -1.016 1.00 0.00 N ATOM 826 CA LYS A 57 -15.359 3.608 0.069 1.00 0.00 C ATOM 827 C LYS A 57 -13.963 3.954 -0.440 1.00 0.00 C ATOM 828 O LYS A 57 -13.413 3.258 -1.293 1.00 0.00 O ATOM 829 CB LYS A 57 -15.346 2.227 0.726 1.00 0.00 C ATOM 830 CG LYS A 57 -15.221 1.082 -0.266 1.00 0.00 C ATOM 831 CD LYS A 57 -16.580 0.496 -0.615 1.00 0.00 C ATOM 832 CE LYS A 57 -16.464 -0.581 -1.681 1.00 0.00 C ATOM 833 NZ LYS A 57 -17.782 -1.202 -1.988 1.00 0.00 N ATOM 0 H LYS A 57 -16.178 2.948 -1.745 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.651 4.353 0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.517 2.177 1.432 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.263 2.099 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.733 1.437 -1.174 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.585 0.303 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.037 0.075 0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.240 1.289 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.046 -0.149 -2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.769 -1.351 -1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.660 -1.931 -2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.170 -1.637 -1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.438 -0.472 -2.333 1.00 0.00 H new ATOM 847 N MET A 58 -13.397 5.033 0.089 1.00 0.00 N ATOM 848 CA MET A 58 -12.064 5.471 -0.311 1.00 0.00 C ATOM 849 C MET A 58 -10.990 4.731 0.478 1.00 0.00 C ATOM 850 O MET A 58 -10.970 4.773 1.708 1.00 0.00 O ATOM 851 CB MET A 58 -11.917 6.980 -0.105 1.00 0.00 C ATOM 852 CG MET A 58 -13.060 7.789 -0.696 1.00 0.00 C ATOM 853 SD MET A 58 -14.337 8.177 0.516 1.00 0.00 S ATOM 854 CE MET A 58 -13.370 9.008 1.774 1.00 0.00 C ATOM 0 H MET A 58 -13.840 5.621 0.796 1.00 0.00 H new ATOM 0 HA MET A 58 -11.935 5.242 -1.369 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.850 7.188 0.963 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.980 7.310 -0.553 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.666 8.716 -1.112 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.505 7.233 -1.521 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.028 9.610 2.400 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.861 8.267 2.390 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.632 9.654 1.298 1.00 0.00 H new ATOM 864 N MET A 59 -10.098 4.052 -0.237 1.00 0.00 N ATOM 865 CA MET A 59 -9.022 3.301 0.399 1.00 0.00 C ATOM 866 C MET A 59 -7.731 3.406 -0.407 1.00 0.00 C ATOM 867 O MET A 59 -7.760 3.590 -1.624 1.00 0.00 O ATOM 868 CB MET A 59 -9.420 1.832 0.555 1.00 0.00 C ATOM 869 CG MET A 59 -10.813 1.636 1.131 1.00 0.00 C ATOM 870 SD MET A 59 -10.902 0.241 2.271 1.00 0.00 S ATOM 871 CE MET A 59 -11.418 -1.068 1.163 1.00 0.00 C ATOM 0 H MET A 59 -10.099 4.007 -1.256 1.00 0.00 H new ATOM 0 HA MET A 59 -8.848 3.731 1.385 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.367 1.345 -0.419 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.696 1.335 1.200 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.119 2.545 1.650 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.520 1.481 0.316 1.00 0.00 H new ATOM 0 HE1 MET A 59 -11.280 -2.033 1.651 1.00 0.00 H new ATOM 0 HE2 MET A 59 -12.470 -0.937 0.910 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.819 -1.032 0.253 1.00 0.00 H new ATOM 881 N LEU A 60 -6.599 3.287 0.280 1.00 0.00 N ATOM 882 CA LEU A 60 -5.296 3.366 -0.369 1.00 0.00 C ATOM 883 C LEU A 60 -4.474 2.112 -0.089 1.00 0.00 C ATOM 884 O LEU A 60 -4.653 1.459 0.939 1.00 0.00 O ATOM 885 CB LEU A 60 -4.537 4.604 0.111 1.00 0.00 C ATOM 886 CG LEU A 60 -4.804 5.878 -0.691 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.276 6.253 -0.621 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.937 7.020 -0.181 1.00 0.00 C ATOM 0 H LEU A 60 -6.559 3.135 1.288 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.457 3.442 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.796 4.788 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.468 4.391 0.080 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.547 5.690 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.448 7.162 -1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.878 5.443 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.559 6.423 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.140 7.919 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.164 7.208 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.885 6.752 -0.282 1.00 0.00 H new ATOM 900 N ARG A 61 -3.574 1.779 -1.009 1.00 0.00 N ATOM 901 CA ARG A 61 -2.728 0.601 -0.855 1.00 0.00 C ATOM 902 C ARG A 61 -1.345 0.837 -1.453 1.00 0.00 C ATOM 903 O ARG A 61 -1.185 1.627 -2.384 1.00 0.00 O ATOM 904 CB ARG A 61 -3.383 -0.612 -1.519 1.00 0.00 C ATOM 905 CG ARG A 61 -3.529 -0.477 -3.026 1.00 0.00 C ATOM 906 CD ARG A 61 -2.261 -0.902 -3.748 1.00 0.00 C ATOM 907 NE ARG A 61 -2.550 -1.564 -5.018 1.00 0.00 N ATOM 908 CZ ARG A 61 -3.139 -2.754 -5.116 1.00 0.00 C ATOM 909 NH1 ARG A 61 -3.503 -3.414 -4.023 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.366 -3.285 -6.309 1.00 0.00 N ATOM 0 H ARG A 61 -3.412 2.307 -1.867 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.612 0.407 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.791 -1.500 -1.298 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.368 -0.768 -1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.365 -1.087 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.764 0.557 -3.279 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.636 -0.027 -3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.689 -1.576 -3.110 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.285 -1.087 -5.880 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.332 -3.010 -3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.954 -4.325 -4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.089 -2.782 -7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.817 -4.197 -6.384 1.00 0.00 H new ATOM 924 N LEU A 62 -0.348 0.145 -0.911 1.00 0.00 N ATOM 925 CA LEU A 62 1.024 0.274 -1.388 1.00 0.00 C ATOM 926 C LEU A 62 1.566 -1.075 -1.848 1.00 0.00 C ATOM 927 O LEU A 62 1.276 -2.109 -1.246 1.00 0.00 O ATOM 928 CB LEU A 62 1.920 0.846 -0.286 1.00 0.00 C ATOM 929 CG LEU A 62 1.359 2.069 0.445 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.836 3.096 -0.548 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.262 1.653 1.413 1.00 0.00 C ATOM 0 H LEU A 62 -0.465 -0.512 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 62 1.024 0.957 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.112 0.062 0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.881 1.115 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 62 2.166 2.528 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.442 3.957 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.648 3.418 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.043 2.650 -1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.126 2.534 1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.545 1.169 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.669 0.958 2.147 1.00 0.00 H new ATOM 943 N ILE A 63 2.353 -1.058 -2.918 1.00 0.00 N ATOM 944 CA ILE A 63 2.934 -2.282 -3.457 1.00 0.00 C ATOM 945 C ILE A 63 4.371 -2.465 -2.981 1.00 0.00 C ATOM 946 O ILE A 63 5.141 -1.507 -2.919 1.00 0.00 O ATOM 947 CB ILE A 63 2.914 -2.286 -4.998 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.543 -1.847 -5.516 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.266 -3.667 -5.528 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.416 -2.766 -5.098 1.00 0.00 C ATOM 0 H ILE A 63 2.603 -0.211 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 63 2.323 -3.107 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 63 3.661 -1.577 -5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.333 -0.840 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.574 -1.796 -6.604 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.248 -3.654 -6.618 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.263 -3.945 -5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.540 -4.393 -5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.526 -2.393 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.603 -3.769 -5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.358 -2.799 -4.010 1.00 0.00 H new ATOM 962 N GLY A 64 4.726 -3.702 -2.648 1.00 0.00 N ATOM 963 CA GLY A 64 6.070 -3.988 -2.182 1.00 0.00 C ATOM 964 C GLY A 64 7.066 -4.097 -3.320 1.00 0.00 C ATOM 965 O GLY A 64 6.679 -4.243 -4.480 1.00 0.00 O ATOM 0 H GLY A 64 4.107 -4.511 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.389 -3.202 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.065 -4.920 -1.617 1.00 0.00 H new ATOM 969 N LYS A 65 8.351 -4.027 -2.989 1.00 0.00 N ATOM 970 CA LYS A 65 9.404 -4.119 -3.994 1.00 0.00 C ATOM 971 C LYS A 65 9.482 -5.529 -4.573 1.00 0.00 C ATOM 972 O LYS A 65 8.966 -6.480 -3.987 1.00 0.00 O ATOM 973 CB LYS A 65 10.754 -3.724 -3.386 1.00 0.00 C ATOM 974 CG LYS A 65 11.346 -2.463 -3.992 1.00 0.00 C ATOM 975 CD LYS A 65 12.193 -1.705 -2.982 1.00 0.00 C ATOM 976 CE LYS A 65 12.388 -0.255 -3.395 1.00 0.00 C ATOM 977 NZ LYS A 65 13.099 -0.139 -4.698 1.00 0.00 N ATOM 0 H LYS A 65 8.688 -3.907 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 65 9.163 -3.429 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.632 -3.579 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.458 -4.546 -3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.956 -2.725 -4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.543 -1.819 -4.352 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.716 -1.744 -2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.164 -2.190 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.417 0.236 -3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.954 0.269 -2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.317 0.860 -4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.983 -0.685 -4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.494 -0.511 -5.458 1.00 0.00 H new ATOM 991 N VAL A 66 10.130 -5.654 -5.726 1.00 0.00 N ATOM 992 CA VAL A 66 10.275 -6.947 -6.384 1.00 0.00 C ATOM 993 C VAL A 66 11.722 -7.194 -6.797 1.00 0.00 C ATOM 994 O VAL A 66 12.512 -6.258 -6.916 1.00 0.00 O ATOM 995 CB VAL A 66 9.374 -7.050 -7.630 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.316 -8.486 -8.129 1.00 0.00 C ATOM 997 CG2 VAL A 66 7.977 -6.524 -7.330 1.00 0.00 C ATOM 0 H VAL A 66 10.563 -4.876 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 66 9.970 -7.704 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 66 9.805 -6.432 -8.418 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.675 -8.540 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.320 -8.821 -8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.911 -9.127 -7.346 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.358 -6.606 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.533 -7.110 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.039 -5.479 -7.026 1.00 0.00 H new ATOM 1007 N ASP A 67 12.062 -8.461 -7.013 1.00 0.00 N ATOM 1008 CA ASP A 67 13.414 -8.831 -7.413 1.00 0.00 C ATOM 1009 C ASP A 67 13.387 -9.942 -8.459 1.00 0.00 C ATOM 1010 O ASP A 67 13.990 -11.000 -8.275 1.00 0.00 O ATOM 1011 CB ASP A 67 14.224 -9.279 -6.193 1.00 0.00 C ATOM 1012 CG ASP A 67 15.666 -8.816 -6.255 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.908 -7.602 -6.093 1.00 0.00 O ATOM 1014 OD2 ASP A 67 16.554 -9.669 -6.468 1.00 0.00 O ATOM 0 H ASP A 67 11.420 -9.248 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 67 13.890 -7.955 -7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.759 -8.889 -5.288 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.197 -10.366 -6.122 1.00 0.00 H new ATOM 1019 N GLU A 68 12.682 -9.694 -9.558 1.00 0.00 N ATOM 1020 CA GLU A 68 12.575 -10.672 -10.634 1.00 0.00 C ATOM 1021 C GLU A 68 13.761 -10.563 -11.589 1.00 0.00 C ATOM 1022 O GLU A 68 13.617 -10.110 -12.725 1.00 0.00 O ATOM 1023 CB GLU A 68 11.266 -10.477 -11.401 1.00 0.00 C ATOM 1024 CG GLU A 68 11.058 -9.056 -11.899 1.00 0.00 C ATOM 1025 CD GLU A 68 10.152 -8.990 -13.113 1.00 0.00 C ATOM 1026 OE1 GLU A 68 10.229 -9.904 -13.961 1.00 0.00 O ATOM 1027 OE2 GLU A 68 9.366 -8.026 -13.215 1.00 0.00 O ATOM 0 H GLU A 68 12.176 -8.824 -9.727 1.00 0.00 H new ATOM 0 HA GLU A 68 12.581 -11.667 -10.189 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.249 -11.158 -12.252 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.432 -10.753 -10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.630 -8.453 -11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.024 -8.617 -12.147 1.00 0.00 H new ATOM 1034 N SER A 69 14.932 -10.982 -11.120 1.00 0.00 N ATOM 1035 CA SER A 69 16.142 -10.931 -11.931 1.00 0.00 C ATOM 1036 C SER A 69 17.203 -11.885 -11.389 1.00 0.00 C ATOM 1037 O SER A 69 18.401 -11.648 -11.543 1.00 0.00 O ATOM 1038 CB SER A 69 16.695 -9.506 -11.972 1.00 0.00 C ATOM 1039 OG SER A 69 16.368 -8.797 -10.789 1.00 0.00 O ATOM 0 H SER A 69 15.068 -11.360 -10.183 1.00 0.00 H new ATOM 0 HA SER A 69 15.883 -11.242 -12.943 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.778 -9.536 -12.094 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.291 -8.981 -12.838 1.00 0.00 H new ATOM 0 HG SER A 69 16.734 -7.890 -10.840 1.00 0.00 H new ATOM 1045 N LYS A 70 16.754 -12.965 -10.756 1.00 0.00 N ATOM 1046 CA LYS A 70 17.665 -13.954 -10.193 1.00 0.00 C ATOM 1047 C LYS A 70 16.951 -15.283 -9.964 1.00 0.00 C ATOM 1048 O LYS A 70 17.116 -16.228 -10.735 1.00 0.00 O ATOM 1049 CB LYS A 70 18.255 -13.444 -8.876 1.00 0.00 C ATOM 1050 CG LYS A 70 19.313 -12.369 -9.059 1.00 0.00 C ATOM 1051 CD LYS A 70 20.095 -12.132 -7.777 1.00 0.00 C ATOM 1052 CE LYS A 70 20.841 -13.383 -7.339 1.00 0.00 C ATOM 1053 NZ LYS A 70 20.131 -14.098 -6.243 1.00 0.00 N ATOM 0 H LYS A 70 15.765 -13.177 -10.621 1.00 0.00 H new ATOM 0 HA LYS A 70 18.473 -14.115 -10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.450 -13.048 -8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.691 -14.283 -8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.998 -12.663 -9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.838 -11.440 -9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.804 -11.318 -7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.413 -11.818 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.960 -14.052 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.842 -13.110 -7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.495 -13.774 -5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.112 -13.898 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.289 -15.122 -6.337 1.00 0.00 H new ATOM 1067 N LYS A 71 16.158 -15.347 -8.900 1.00 0.00 N ATOM 1068 CA LYS A 71 15.418 -16.559 -8.569 1.00 0.00 C ATOM 1069 C LYS A 71 14.449 -16.930 -9.688 1.00 0.00 C ATOM 1070 O LYS A 71 13.796 -16.064 -10.270 1.00 0.00 O ATOM 1071 CB LYS A 71 14.654 -16.369 -7.258 1.00 0.00 C ATOM 1072 CG LYS A 71 14.281 -17.677 -6.577 1.00 0.00 C ATOM 1073 CD LYS A 71 14.843 -17.752 -5.166 1.00 0.00 C ATOM 1074 CE LYS A 71 13.844 -18.367 -4.200 1.00 0.00 C ATOM 1075 NZ LYS A 71 14.099 -17.947 -2.794 1.00 0.00 N ATOM 0 H LYS A 71 16.011 -14.573 -8.252 1.00 0.00 H new ATOM 0 HA LYS A 71 16.134 -17.372 -8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 71 15.261 -15.774 -6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.746 -15.800 -7.455 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.196 -17.774 -6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.658 -18.514 -7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.759 -18.343 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.111 -16.751 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.834 -18.076 -4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.894 -19.454 -4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.396 -18.388 -2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.053 -18.247 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.026 -16.912 -2.722 1.00 0.00 H new ATOM 1089 N ARG A 72 14.363 -18.223 -9.984 1.00 0.00 N ATOM 1090 CA ARG A 72 13.474 -18.711 -11.034 1.00 0.00 C ATOM 1091 C ARG A 72 12.919 -20.087 -10.679 1.00 0.00 C ATOM 1092 O ARG A 72 13.360 -20.715 -9.717 1.00 0.00 O ATOM 1093 CB ARG A 72 14.217 -18.777 -12.369 1.00 0.00 C ATOM 1094 CG ARG A 72 14.409 -17.420 -13.026 1.00 0.00 C ATOM 1095 CD ARG A 72 13.094 -16.859 -13.543 1.00 0.00 C ATOM 1096 NE ARG A 72 12.941 -17.062 -14.982 1.00 0.00 N ATOM 1097 CZ ARG A 72 13.530 -16.305 -15.904 1.00 0.00 C ATOM 1098 NH1 ARG A 72 14.312 -15.295 -15.543 1.00 0.00 N ATOM 1099 NH2 ARG A 72 13.338 -16.558 -17.191 1.00 0.00 N ATOM 0 H ARG A 72 14.898 -18.952 -9.512 1.00 0.00 H new ATOM 0 HA ARG A 72 12.640 -18.015 -11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.193 -19.236 -12.210 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.667 -19.426 -13.050 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.844 -16.725 -12.308 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.116 -17.511 -13.851 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.265 -17.336 -13.019 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.041 -15.793 -13.319 1.00 0.00 H new ATOM 0 HE ARG A 72 12.348 -17.829 -15.298 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.464 -15.096 -14.554 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.761 -14.718 -16.254 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.739 -17.333 -17.475 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.790 -15.978 -17.898 1.00 0.00 H new ATOM 1113 N LYS A 73 11.948 -20.550 -11.461 1.00 0.00 N ATOM 1114 CA LYS A 73 11.334 -21.851 -11.227 1.00 0.00 C ATOM 1115 C LYS A 73 12.333 -22.975 -11.474 1.00 0.00 C ATOM 1116 O LYS A 73 12.365 -23.565 -12.554 1.00 0.00 O ATOM 1117 CB LYS A 73 10.109 -22.040 -12.123 1.00 0.00 C ATOM 1118 CG LYS A 73 10.345 -21.639 -13.571 1.00 0.00 C ATOM 1119 CD LYS A 73 9.784 -20.257 -13.865 1.00 0.00 C ATOM 1120 CE LYS A 73 10.593 -19.544 -14.936 1.00 0.00 C ATOM 1121 NZ LYS A 73 10.113 -19.872 -16.306 1.00 0.00 N ATOM 0 H LYS A 73 11.570 -20.043 -12.262 1.00 0.00 H new ATOM 0 HA LYS A 73 11.017 -21.887 -10.185 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.803 -23.086 -12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.282 -21.453 -11.722 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.414 -21.652 -13.783 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.880 -22.370 -14.232 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.747 -20.345 -14.189 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.783 -19.662 -12.952 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.533 -18.467 -14.779 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.643 -19.822 -14.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.691 -19.366 -17.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.193 -20.896 -16.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.119 -19.583 -16.404 1.00 0.00 H new ATOM 1135 N ASP A 74 13.146 -23.265 -10.467 1.00 0.00 N ATOM 1136 CA ASP A 74 14.149 -24.319 -10.574 1.00 0.00 C ATOM 1137 C ASP A 74 14.390 -24.988 -9.224 1.00 0.00 C ATOM 1138 O ASP A 74 14.984 -24.396 -8.323 1.00 0.00 O ATOM 1139 CB ASP A 74 15.462 -23.748 -11.113 1.00 0.00 C ATOM 1140 CG ASP A 74 15.430 -23.544 -12.615 1.00 0.00 C ATOM 1141 OD1 ASP A 74 14.964 -22.473 -13.059 1.00 0.00 O ATOM 1142 OD2 ASP A 74 15.872 -24.454 -13.347 1.00 0.00 O ATOM 0 H ASP A 74 13.132 -22.786 -9.567 1.00 0.00 H new ATOM 0 HA ASP A 74 13.773 -25.071 -11.267 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.669 -22.796 -10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 74 16.280 -24.422 -10.858 1.00 0.00 H new ATOM 1147 N ASN A 75 13.927 -26.229 -9.093 1.00 0.00 N ATOM 1148 CA ASN A 75 14.093 -26.985 -7.856 1.00 0.00 C ATOM 1149 C ASN A 75 13.424 -28.353 -7.964 1.00 0.00 C ATOM 1150 O ASN A 75 14.093 -29.367 -8.165 1.00 0.00 O ATOM 1151 CB ASN A 75 13.513 -26.209 -6.669 1.00 0.00 C ATOM 1152 CG ASN A 75 14.562 -25.876 -5.627 1.00 0.00 C ATOM 1153 OD1 ASN A 75 14.321 -25.998 -4.426 1.00 0.00 O ATOM 1154 ND2 ASN A 75 15.735 -25.451 -6.081 1.00 0.00 N ATOM 0 H ASN A 75 13.433 -26.732 -9.830 1.00 0.00 H new ATOM 0 HA ASN A 75 15.160 -27.132 -7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.057 -25.287 -7.029 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.720 -26.797 -6.207 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.479 -25.211 -5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.892 -25.365 -7.085 1.00 0.00 H new ATOM 1161 N GLU A 76 12.102 -28.373 -7.828 1.00 0.00 N ATOM 1162 CA GLU A 76 11.342 -29.615 -7.910 1.00 0.00 C ATOM 1163 C GLU A 76 9.844 -29.342 -7.805 1.00 0.00 C ATOM 1164 O GLU A 76 9.099 -30.121 -7.211 1.00 0.00 O ATOM 1165 CB GLU A 76 11.780 -30.579 -6.804 1.00 0.00 C ATOM 1166 CG GLU A 76 12.801 -31.607 -7.263 1.00 0.00 C ATOM 1167 CD GLU A 76 14.043 -31.628 -6.393 1.00 0.00 C ATOM 1168 OE1 GLU A 76 14.384 -30.571 -5.820 1.00 0.00 O ATOM 1169 OE2 GLU A 76 14.673 -32.700 -6.283 1.00 0.00 O ATOM 0 H GLU A 76 11.534 -27.542 -7.660 1.00 0.00 H new ATOM 0 HA GLU A 76 11.541 -30.073 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.201 -30.005 -5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.903 -31.098 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.342 -32.596 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.087 -31.394 -8.293 1.00 0.00 H new ATOM 1176 N GLY A 77 9.409 -28.228 -8.386 1.00 0.00 N ATOM 1177 CA GLY A 77 8.003 -27.869 -8.347 1.00 0.00 C ATOM 1178 C GLY A 77 7.778 -26.401 -8.644 1.00 0.00 C ATOM 1179 O GLY A 77 6.927 -25.758 -8.029 1.00 0.00 O ATOM 0 H GLY A 77 10.006 -27.567 -8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.456 -28.472 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.597 -28.105 -7.364 1.00 0.00 H new ATOM 1183 N ASN A 78 8.547 -25.871 -9.589 1.00 0.00 N ATOM 1184 CA ASN A 78 8.441 -24.469 -9.976 1.00 0.00 C ATOM 1185 C ASN A 78 8.495 -23.551 -8.760 1.00 0.00 C ATOM 1186 O ASN A 78 7.489 -23.330 -8.087 1.00 0.00 O ATOM 1187 CB ASN A 78 7.151 -24.220 -10.750 1.00 0.00 C ATOM 1188 CG ASN A 78 6.904 -25.265 -11.821 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.284 -25.087 -12.978 1.00 0.00 O ATOM 1190 ND2 ASN A 78 6.263 -26.363 -11.439 1.00 0.00 N ATOM 0 H ASN A 78 9.255 -26.395 -10.104 1.00 0.00 H new ATOM 0 HA ASN A 78 9.293 -24.243 -10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.311 -24.211 -10.056 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.193 -23.234 -11.212 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.068 -27.101 -12.116 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.966 -26.469 -10.469 1.00 0.00 H new ATOM 1197 N GLU A 79 9.677 -23.014 -8.495 1.00 0.00 N ATOM 1198 CA GLU A 79 9.874 -22.109 -7.370 1.00 0.00 C ATOM 1199 C GLU A 79 10.065 -20.676 -7.862 1.00 0.00 C ATOM 1200 O GLU A 79 11.123 -20.076 -7.673 1.00 0.00 O ATOM 1201 CB GLU A 79 11.079 -22.550 -6.534 1.00 0.00 C ATOM 1202 CG GLU A 79 12.405 -22.450 -7.269 1.00 0.00 C ATOM 1203 CD GLU A 79 13.498 -21.831 -6.420 1.00 0.00 C ATOM 1204 OE1 GLU A 79 13.389 -20.629 -6.096 1.00 0.00 O ATOM 1205 OE2 GLU A 79 14.462 -22.547 -6.078 1.00 0.00 O ATOM 0 H GLU A 79 10.518 -23.190 -9.045 1.00 0.00 H new ATOM 0 HA GLU A 79 8.984 -22.143 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.127 -21.939 -5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.929 -23.581 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.716 -23.445 -7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.271 -21.855 -8.172 1.00 0.00 H new ATOM 1212 N VAL A 80 9.028 -20.138 -8.502 1.00 0.00 N ATOM 1213 CA VAL A 80 9.062 -18.778 -9.038 1.00 0.00 C ATOM 1214 C VAL A 80 9.758 -17.809 -8.087 1.00 0.00 C ATOM 1215 O VAL A 80 9.835 -18.050 -6.882 1.00 0.00 O ATOM 1216 CB VAL A 80 7.643 -18.259 -9.331 1.00 0.00 C ATOM 1217 CG1 VAL A 80 7.022 -19.030 -10.486 1.00 0.00 C ATOM 1218 CG2 VAL A 80 6.773 -18.352 -8.086 1.00 0.00 C ATOM 0 H VAL A 80 8.148 -20.627 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 80 9.630 -18.827 -9.967 1.00 0.00 H new ATOM 0 HB VAL A 80 7.710 -17.210 -9.620 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.019 -18.650 -10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.636 -18.906 -11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.966 -20.088 -10.229 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.773 -17.981 -8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.710 -19.391 -7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.212 -17.751 -7.290 1.00 0.00 H new ATOM 1228 N VAL A 81 10.270 -16.714 -8.641 1.00 0.00 N ATOM 1229 CA VAL A 81 10.969 -15.708 -7.852 1.00 0.00 C ATOM 1230 C VAL A 81 10.102 -15.203 -6.698 1.00 0.00 C ATOM 1231 O VAL A 81 8.907 -14.965 -6.870 1.00 0.00 O ATOM 1232 CB VAL A 81 11.396 -14.510 -8.725 1.00 0.00 C ATOM 1233 CG1 VAL A 81 10.181 -13.826 -9.332 1.00 0.00 C ATOM 1234 CG2 VAL A 81 12.225 -13.523 -7.916 1.00 0.00 C ATOM 0 H VAL A 81 10.213 -16.501 -9.637 1.00 0.00 H new ATOM 0 HA VAL A 81 11.858 -16.189 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 81 12.015 -14.885 -9.540 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.505 -12.984 -9.944 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.636 -14.537 -9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.530 -13.466 -8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.516 -12.686 -8.551 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.635 -13.154 -7.077 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.119 -14.021 -7.540 1.00 0.00 H new ATOM 1244 N PRO A 82 10.700 -15.035 -5.501 1.00 0.00 N ATOM 1245 CA PRO A 82 9.997 -14.559 -4.306 1.00 0.00 C ATOM 1246 C PRO A 82 9.003 -13.458 -4.605 1.00 0.00 C ATOM 1247 O PRO A 82 9.327 -12.270 -4.589 1.00 0.00 O ATOM 1248 CB PRO A 82 11.137 -14.056 -3.440 1.00 0.00 C ATOM 1249 CG PRO A 82 12.207 -15.038 -3.726 1.00 0.00 C ATOM 1250 CD PRO A 82 12.118 -15.299 -5.206 1.00 0.00 C ATOM 0 HA PRO A 82 9.391 -15.335 -3.839 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.434 -13.042 -3.707 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.870 -14.042 -2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.186 -14.644 -3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.063 -15.955 -3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 82 12.778 -14.642 -5.773 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.398 -16.323 -5.453 1.00 0.00 H new ATOM 1258 N LYS A 83 7.788 -13.885 -4.880 1.00 0.00 N ATOM 1259 CA LYS A 83 6.690 -12.975 -5.198 1.00 0.00 C ATOM 1260 C LYS A 83 6.654 -11.792 -4.228 1.00 0.00 C ATOM 1261 O LYS A 83 6.921 -11.948 -3.037 1.00 0.00 O ATOM 1262 CB LYS A 83 5.355 -13.723 -5.159 1.00 0.00 C ATOM 1263 CG LYS A 83 4.491 -13.489 -6.387 1.00 0.00 C ATOM 1264 CD LYS A 83 3.445 -14.580 -6.548 1.00 0.00 C ATOM 1265 CE LYS A 83 4.087 -15.943 -6.744 1.00 0.00 C ATOM 1266 NZ LYS A 83 3.123 -16.939 -7.289 1.00 0.00 N ATOM 0 H LYS A 83 7.527 -14.871 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 83 6.855 -12.587 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.549 -14.791 -5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.802 -13.416 -4.272 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.998 -12.520 -6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.121 -13.454 -7.275 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.803 -14.602 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.807 -14.351 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.935 -15.850 -7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.478 -16.300 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.600 -17.855 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.326 -17.047 -6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.769 -16.611 -8.210 1.00 0.00 H new ATOM 1280 N PRO A 84 6.322 -10.588 -4.729 1.00 0.00 N ATOM 1281 CA PRO A 84 6.255 -9.380 -3.901 1.00 0.00 C ATOM 1282 C PRO A 84 5.058 -9.389 -2.956 1.00 0.00 C ATOM 1283 O PRO A 84 4.366 -10.398 -2.825 1.00 0.00 O ATOM 1284 CB PRO A 84 6.117 -8.255 -4.927 1.00 0.00 C ATOM 1285 CG PRO A 84 5.475 -8.897 -6.106 1.00 0.00 C ATOM 1286 CD PRO A 84 5.989 -10.310 -6.140 1.00 0.00 C ATOM 0 HA PRO A 84 7.126 -9.281 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.508 -7.438 -4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.088 -7.833 -5.186 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.389 -8.879 -6.017 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.728 -8.368 -7.025 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.237 -11.002 -6.519 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.863 -10.404 -6.785 1.00 0.00 H new ATOM 1294 N GLN A 85 4.821 -8.257 -2.301 1.00 0.00 N ATOM 1295 CA GLN A 85 3.707 -8.133 -1.369 1.00 0.00 C ATOM 1296 C GLN A 85 2.879 -6.889 -1.676 1.00 0.00 C ATOM 1297 O GLN A 85 3.408 -5.878 -2.136 1.00 0.00 O ATOM 1298 CB GLN A 85 4.223 -8.073 0.070 1.00 0.00 C ATOM 1299 CG GLN A 85 5.226 -9.166 0.402 1.00 0.00 C ATOM 1300 CD GLN A 85 6.375 -8.663 1.255 1.00 0.00 C ATOM 1301 OE1 GLN A 85 7.461 -8.381 0.751 1.00 0.00 O ATOM 1302 NE2 GLN A 85 6.139 -8.550 2.557 1.00 0.00 N ATOM 0 H GLN A 85 5.385 -7.413 -2.399 1.00 0.00 H new ATOM 0 HA GLN A 85 3.070 -9.010 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.687 -7.102 0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.377 -8.147 0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.716 -9.975 0.926 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.621 -9.585 -0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.223 -8.795 2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 85 6.874 -8.218 3.182 1.00 0.00 H new ATOM 1311 N ARG A 86 1.578 -6.972 -1.419 1.00 0.00 N ATOM 1312 CA ARG A 86 0.677 -5.853 -1.670 1.00 0.00 C ATOM 1313 C ARG A 86 -0.211 -5.586 -0.459 1.00 0.00 C ATOM 1314 O ARG A 86 -1.135 -6.348 -0.174 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.189 -6.134 -2.900 1.00 0.00 C ATOM 1316 CG ARG A 86 0.595 -6.161 -4.202 1.00 0.00 C ATOM 1317 CD ARG A 86 0.960 -7.581 -4.602 1.00 0.00 C ATOM 1318 NE ARG A 86 1.802 -7.614 -5.795 1.00 0.00 N ATOM 1319 CZ ARG A 86 1.347 -7.414 -7.030 1.00 0.00 C ATOM 1320 NH1 ARG A 86 0.059 -7.167 -7.238 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.180 -7.461 -8.060 1.00 0.00 N ATOM 0 H ARG A 86 1.124 -7.802 -1.037 1.00 0.00 H new ATOM 0 HA ARG A 86 1.283 -4.966 -1.856 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.692 -7.092 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.966 -5.372 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.005 -5.699 -4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.503 -5.567 -4.094 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.481 -8.068 -3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.049 -8.152 -4.785 1.00 0.00 H new ATOM 0 HE ARG A 86 2.797 -7.801 -5.675 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.587 -7.130 -6.449 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.284 -7.014 -8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.170 -7.651 -7.907 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.831 -7.308 -9.006 1.00 0.00 H new ATOM 1335 N HIS A 87 0.074 -4.498 0.249 1.00 0.00 N ATOM 1336 CA HIS A 87 -0.700 -4.129 1.429 1.00 0.00 C ATOM 1337 C HIS A 87 -1.683 -3.009 1.103 1.00 0.00 C ATOM 1338 O HIS A 87 -1.378 -2.111 0.319 1.00 0.00 O ATOM 1339 CB HIS A 87 0.232 -3.692 2.560 1.00 0.00 C ATOM 1340 CG HIS A 87 0.912 -4.833 3.250 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.254 -5.700 4.098 1.00 0.00 N ATOM 1342 CD2 HIS A 87 2.200 -5.250 3.214 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.108 -6.599 4.555 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.295 -6.349 4.033 1.00 0.00 N ATOM 0 H HIS A 87 0.835 -3.856 0.026 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.265 -5.003 1.752 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.989 -3.019 2.157 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.341 -3.124 3.293 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.003 -4.802 2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.875 -7.402 5.239 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.145 -6.885 4.209 1.00 0.00 H new ATOM 1353 N MET A 88 -2.865 -3.069 1.708 1.00 0.00 N ATOM 1354 CA MET A 88 -3.891 -2.059 1.479 1.00 0.00 C ATOM 1355 C MET A 88 -4.490 -1.577 2.797 1.00 0.00 C ATOM 1356 O MET A 88 -4.739 -2.371 3.704 1.00 0.00 O ATOM 1357 CB MET A 88 -4.994 -2.617 0.577 1.00 0.00 C ATOM 1358 CG MET A 88 -5.777 -3.758 1.207 1.00 0.00 C ATOM 1359 SD MET A 88 -7.161 -3.181 2.209 1.00 0.00 S ATOM 1360 CE MET A 88 -8.549 -3.728 1.217 1.00 0.00 C ATOM 0 H MET A 88 -3.135 -3.806 2.360 1.00 0.00 H new ATOM 0 HA MET A 88 -3.421 -1.209 0.984 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.683 -1.813 0.320 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.548 -2.964 -0.355 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.151 -4.414 0.421 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.108 -4.354 1.828 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.260 -2.909 1.103 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.194 -4.040 0.235 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.039 -4.568 1.709 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.721 -0.272 2.891 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.295 0.319 4.095 1.00 0.00 C ATOM 1372 C PHE A 89 -6.655 0.941 3.794 1.00 0.00 C ATOM 1373 O PHE A 89 -6.995 1.182 2.636 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.352 1.378 4.669 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.933 0.905 4.813 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.656 -0.354 5.323 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.876 1.720 4.440 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.352 -0.791 5.457 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.570 1.288 4.571 1.00 0.00 C ATOM 1380 CZ PHE A 89 -0.307 0.032 5.081 1.00 0.00 C ATOM 0 H PHE A 89 -4.520 0.397 2.148 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.430 -0.472 4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.370 2.256 4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.722 1.692 5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.469 -1.001 5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.075 2.704 4.042 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.150 -1.774 5.855 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.245 1.932 4.275 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.713 -0.307 5.186 1.00 0.00 H new ATOM 1390 N SER A 90 -7.429 1.199 4.843 1.00 0.00 N ATOM 1391 CA SER A 90 -8.752 1.793 4.687 1.00 0.00 C ATOM 1392 C SER A 90 -8.764 3.236 5.181 1.00 0.00 C ATOM 1393 O SER A 90 -8.177 3.554 6.215 1.00 0.00 O ATOM 1394 CB SER A 90 -9.796 0.972 5.447 1.00 0.00 C ATOM 1395 OG SER A 90 -9.328 -0.342 5.697 1.00 0.00 O ATOM 0 H SER A 90 -7.164 1.006 5.809 1.00 0.00 H new ATOM 0 HA SER A 90 -9.000 1.790 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.032 1.463 6.391 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.720 0.929 4.870 1.00 0.00 H new ATOM 0 HG SER A 90 -8.677 -0.324 6.429 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.437 4.105 4.434 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.527 5.515 4.796 1.00 0.00 C ATOM 1403 C PHE A 91 -10.976 5.992 4.766 1.00 0.00 C ATOM 1404 O PHE A 91 -11.866 5.276 4.308 1.00 0.00 O ATOM 1405 CB PHE A 91 -8.679 6.362 3.845 1.00 0.00 C ATOM 1406 CG PHE A 91 -7.228 6.423 4.227 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -6.439 5.284 4.185 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -6.653 7.618 4.629 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -5.103 5.337 4.537 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -5.318 7.677 4.982 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.542 6.535 4.935 1.00 0.00 C ATOM 0 H PHE A 91 -9.928 3.858 3.575 1.00 0.00 H new ATOM 0 HA PHE A 91 -9.146 5.630 5.811 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.764 5.957 2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.082 7.375 3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.873 4.345 3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.255 8.514 4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.499 4.443 4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.882 8.615 5.294 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.498 6.579 5.209 1.00 0.00 H new ATOM 1421 N ASN A 92 -11.205 7.205 5.257 1.00 0.00 N ATOM 1422 CA ASN A 92 -12.546 7.777 5.286 1.00 0.00 C ATOM 1423 C ASN A 92 -12.520 9.249 4.887 1.00 0.00 C ATOM 1424 O ASN A 92 -13.297 10.055 5.399 1.00 0.00 O ATOM 1425 CB ASN A 92 -13.158 7.625 6.680 1.00 0.00 C ATOM 1426 CG ASN A 92 -13.890 6.309 6.850 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -13.300 5.304 7.248 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.183 6.307 6.547 1.00 0.00 N ATOM 0 H ASN A 92 -10.480 7.811 5.640 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.160 7.236 4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.370 7.699 7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.849 8.448 6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.727 5.450 6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.632 7.163 6.221 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.621 9.593 3.970 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.494 10.968 3.503 1.00 0.00 C ATOM 1437 C ASN A 93 -10.619 11.041 2.256 1.00 0.00 C ATOM 1438 O ASN A 93 -9.618 10.334 2.146 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.906 11.851 4.605 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.977 12.475 5.479 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.866 13.171 4.989 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.895 12.229 6.781 1.00 0.00 N ATOM 0 H ASN A 93 -10.970 8.938 3.536 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.489 11.332 3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.236 11.256 5.225 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.305 12.640 4.153 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.587 12.623 7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -11.141 11.646 7.143 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.004 11.902 1.320 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.254 12.068 0.080 1.00 0.00 C ATOM 1451 C ARG A 94 -9.071 13.009 0.283 1.00 0.00 C ATOM 1452 O ARG A 94 -7.993 12.796 -0.272 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.166 12.608 -1.024 1.00 0.00 C ATOM 1454 CG ARG A 94 -10.466 12.780 -2.361 1.00 0.00 C ATOM 1455 CD ARG A 94 -11.314 13.583 -3.334 1.00 0.00 C ATOM 1456 NE ARG A 94 -10.497 14.327 -4.290 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.883 15.473 -4.005 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -9.991 16.010 -2.796 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -9.158 16.085 -4.933 1.00 0.00 N ATOM 0 H ARG A 94 -11.830 12.495 1.396 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.873 11.092 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.010 11.930 -1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.573 13.569 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -9.510 13.281 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.249 11.801 -2.788 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.981 12.911 -3.874 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.944 14.278 -2.778 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.391 13.946 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.547 15.544 -2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.518 16.888 -2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.072 15.677 -5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.687 16.963 -4.715 1.00 0.00 H new ATOM 1473 N THR A 95 -9.279 14.051 1.081 1.00 0.00 N ATOM 1474 CA THR A 95 -8.230 15.024 1.358 1.00 0.00 C ATOM 1475 C THR A 95 -7.190 14.447 2.313 1.00 0.00 C ATOM 1476 O THR A 95 -6.012 14.799 2.249 1.00 0.00 O ATOM 1477 CB THR A 95 -8.831 16.299 1.951 1.00 0.00 C ATOM 1478 OG1 THR A 95 -9.815 16.839 1.086 1.00 0.00 O ATOM 1479 CG2 THR A 95 -7.805 17.381 2.210 1.00 0.00 C ATOM 0 H THR A 95 -10.166 14.243 1.547 1.00 0.00 H new ATOM 0 HA THR A 95 -7.737 15.267 0.416 1.00 0.00 H new ATOM 0 HB THR A 95 -9.265 15.997 2.904 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.189 17.653 1.484 1.00 0.00 H new ATOM 0 HG21 THR A 95 -8.299 18.257 2.630 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.058 17.013 2.913 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.319 17.653 1.273 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.633 13.559 3.197 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.741 12.934 4.165 1.00 0.00 C ATOM 1489 C VAL A 96 -5.853 11.888 3.497 1.00 0.00 C ATOM 1490 O VAL A 96 -4.685 11.733 3.853 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.529 12.268 5.308 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.584 11.770 6.392 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.551 13.235 5.886 1.00 0.00 C ATOM 0 H VAL A 96 -8.605 13.256 3.262 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.118 13.727 4.579 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.063 11.409 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.160 11.303 7.191 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.895 11.040 5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.019 12.610 6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.098 12.747 6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -8.039 14.115 6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.249 13.537 5.105 1.00 0.00 H new ATOM 1503 N MET A 97 -6.416 11.173 2.528 1.00 0.00 N ATOM 1504 CA MET A 97 -5.674 10.142 1.811 1.00 0.00 C ATOM 1505 C MET A 97 -4.747 10.763 0.771 1.00 0.00 C ATOM 1506 O MET A 97 -3.680 10.224 0.476 1.00 0.00 O ATOM 1507 CB MET A 97 -6.639 9.165 1.135 1.00 0.00 C ATOM 1508 CG MET A 97 -7.464 9.793 0.022 1.00 0.00 C ATOM 1509 SD MET A 97 -8.685 8.657 -0.662 1.00 0.00 S ATOM 1510 CE MET A 97 -8.073 8.465 -2.335 1.00 0.00 C ATOM 0 H MET A 97 -7.382 11.288 2.222 1.00 0.00 H new ATOM 0 HA MET A 97 -5.066 9.598 2.534 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.070 8.330 0.727 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.313 8.754 1.887 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.972 10.678 0.406 1.00 0.00 H new ATOM 0 HG3 MET A 97 -6.799 10.128 -0.774 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.159 7.421 -2.636 1.00 0.00 H new ATOM 0 HE2 MET A 97 -8.660 9.087 -3.011 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.027 8.770 -2.377 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.161 11.899 0.220 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.367 12.593 -0.787 1.00 0.00 C ATOM 1522 C ASP A 98 -3.025 13.036 -0.213 1.00 0.00 C ATOM 1523 O ASP A 98 -2.026 13.105 -0.928 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.132 13.805 -1.322 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.978 13.467 -2.534 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -6.460 12.318 -2.619 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.158 14.351 -3.397 1.00 0.00 O ATOM 0 H ASP A 98 -6.041 12.358 0.454 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.179 11.900 -1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.773 14.203 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.424 14.591 -1.585 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.011 13.336 1.082 1.00 0.00 N ATOM 1533 CA ASN A 99 -1.791 13.773 1.751 1.00 0.00 C ATOM 1534 C ASN A 99 -0.841 12.600 1.972 1.00 0.00 C ATOM 1535 O ASN A 99 0.378 12.770 1.983 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.126 14.433 3.089 1.00 0.00 C ATOM 1537 CG ASN A 99 -1.021 15.350 3.575 1.00 0.00 C ATOM 1538 OD1 ASN A 99 0.127 14.931 3.728 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -1.361 16.610 3.819 1.00 0.00 N ATOM 0 H ASN A 99 -3.830 13.285 1.688 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.296 14.502 1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.049 15.003 2.988 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.308 13.661 3.836 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.659 17.273 4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -2.324 16.915 3.679 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.407 11.410 2.144 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.609 10.210 2.361 1.00 0.00 C ATOM 1548 C ILE A 100 0.031 9.740 1.058 1.00 0.00 C ATOM 1549 O ILE A 100 1.237 9.505 0.995 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.461 9.067 2.947 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -2.176 9.534 4.216 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -0.595 7.850 3.238 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.235 9.865 5.354 1.00 0.00 C ATOM 0 H ILE A 100 -2.415 11.251 2.137 1.00 0.00 H new ATOM 0 HA ILE A 100 0.172 10.470 3.075 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.213 8.783 2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.775 10.415 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.867 8.756 4.541 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.214 7.053 3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.129 7.506 2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.179 8.118 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.812 10.189 6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.654 8.980 5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.561 10.665 5.048 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.788 9.605 0.020 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.306 9.163 -1.283 1.00 0.00 C ATOM 1567 C LYS A 101 0.743 10.124 -1.834 1.00 0.00 C ATOM 1568 O LYS A 101 1.789 9.701 -2.325 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.472 9.044 -2.267 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.330 7.887 -3.242 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.685 7.330 -3.645 1.00 0.00 C ATOM 1572 CE LYS A 101 -3.529 8.375 -4.356 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.840 8.922 -5.558 1.00 0.00 N ATOM 0 H LYS A 101 -1.789 9.796 0.056 1.00 0.00 H new ATOM 0 HA LYS A 101 0.157 8.184 -1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.399 8.924 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.558 9.974 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.794 8.222 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.731 7.098 -2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.546 6.468 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.212 6.977 -2.759 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.480 7.933 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.757 9.188 -3.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.516 9.473 -6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.057 9.537 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.466 8.138 -6.130 1.00 0.00 H new ATOM 1587 N MET A 102 0.456 11.420 -1.750 1.00 0.00 N ATOM 1588 CA MET A 102 1.376 12.439 -2.243 1.00 0.00 C ATOM 1589 C MET A 102 2.728 12.338 -1.541 1.00 0.00 C ATOM 1590 O MET A 102 3.767 12.645 -2.125 1.00 0.00 O ATOM 1591 CB MET A 102 0.780 13.837 -2.043 1.00 0.00 C ATOM 1592 CG MET A 102 0.770 14.301 -0.595 1.00 0.00 C ATOM 1593 SD MET A 102 0.269 16.025 -0.422 1.00 0.00 S ATOM 1594 CE MET A 102 1.121 16.475 1.088 1.00 0.00 C ATOM 0 H MET A 102 -0.405 11.788 -1.346 1.00 0.00 H new ATOM 0 HA MET A 102 1.530 12.270 -3.309 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.347 14.552 -2.639 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.241 13.844 -2.424 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.092 13.670 -0.020 1.00 0.00 H new ATOM 0 HG3 MET A 102 1.765 14.171 -0.169 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.449 17.047 1.728 1.00 0.00 H new ATOM 0 HE2 MET A 102 1.439 15.572 1.610 1.00 0.00 H new ATOM 0 HE3 MET A 102 1.995 17.080 0.846 1.00 0.00 H new ATOM 1604 N THR A 103 2.704 11.906 -0.284 1.00 0.00 N ATOM 1605 CA THR A 103 3.925 11.764 0.499 1.00 0.00 C ATOM 1606 C THR A 103 4.745 10.570 0.021 1.00 0.00 C ATOM 1607 O THR A 103 5.931 10.699 -0.279 1.00 0.00 O ATOM 1608 CB THR A 103 3.587 11.605 1.982 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.821 12.704 2.443 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.809 11.495 2.868 1.00 0.00 C ATOM 0 H THR A 103 1.852 11.648 0.214 1.00 0.00 H new ATOM 0 HA THR A 103 4.521 12.666 0.363 1.00 0.00 H new ATOM 0 HB THR A 103 3.024 10.674 2.050 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.890 12.425 2.567 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.497 11.384 3.906 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.397 10.626 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.415 12.395 2.765 1.00 0.00 H new ATOM 1618 N LEU A 104 4.104 9.408 -0.048 1.00 0.00 N ATOM 1619 CA LEU A 104 4.774 8.190 -0.489 1.00 0.00 C ATOM 1620 C LEU A 104 5.339 8.357 -1.897 1.00 0.00 C ATOM 1621 O LEU A 104 6.449 7.912 -2.188 1.00 0.00 O ATOM 1622 CB LEU A 104 3.803 7.007 -0.452 1.00 0.00 C ATOM 1623 CG LEU A 104 3.858 6.166 0.824 1.00 0.00 C ATOM 1624 CD1 LEU A 104 2.817 6.645 1.824 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.652 4.693 0.502 1.00 0.00 C ATOM 0 H LEU A 104 3.121 9.284 0.196 1.00 0.00 H new ATOM 0 HA LEU A 104 5.602 7.993 0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.788 7.385 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.009 6.360 -1.305 1.00 0.00 H new ATOM 0 HG LEU A 104 4.845 6.285 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.871 6.035 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.010 7.687 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.823 6.557 1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.694 4.110 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.679 4.556 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.435 4.356 -0.177 1.00 0.00 H new ATOM 1637 N GLN A 105 4.567 9.001 -2.766 1.00 0.00 N ATOM 1638 CA GLN A 105 4.991 9.226 -4.143 1.00 0.00 C ATOM 1639 C GLN A 105 6.299 10.010 -4.190 1.00 0.00 C ATOM 1640 O GLN A 105 7.101 9.844 -5.109 1.00 0.00 O ATOM 1641 CB GLN A 105 3.905 9.979 -4.916 1.00 0.00 C ATOM 1642 CG GLN A 105 2.904 9.065 -5.602 1.00 0.00 C ATOM 1643 CD GLN A 105 3.403 8.551 -6.938 1.00 0.00 C ATOM 1644 OE1 GLN A 105 3.884 7.423 -7.042 1.00 0.00 O ATOM 1645 NE2 GLN A 105 3.292 9.380 -7.970 1.00 0.00 N ATOM 0 H GLN A 105 3.645 9.376 -2.541 1.00 0.00 H new ATOM 0 HA GLN A 105 5.154 8.254 -4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.373 10.638 -4.230 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.378 10.614 -5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.684 8.219 -4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.968 9.604 -5.751 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.887 10.307 -7.838 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.612 9.090 -8.894 1.00 0.00 H new ATOM 1654 N GLN A 106 6.508 10.865 -3.194 1.00 0.00 N ATOM 1655 CA GLN A 106 7.718 11.675 -3.122 1.00 0.00 C ATOM 1656 C GLN A 106 8.841 10.919 -2.418 1.00 0.00 C ATOM 1657 O GLN A 106 9.990 10.942 -2.861 1.00 0.00 O ATOM 1658 CB GLN A 106 7.435 12.988 -2.389 1.00 0.00 C ATOM 1659 CG GLN A 106 6.678 14.002 -3.230 1.00 0.00 C ATOM 1660 CD GLN A 106 6.211 15.197 -2.422 1.00 0.00 C ATOM 1661 OE1 GLN A 106 5.068 15.637 -2.545 1.00 0.00 O ATOM 1662 NE2 GLN A 106 7.098 15.730 -1.589 1.00 0.00 N ATOM 0 H GLN A 106 5.854 11.015 -2.425 1.00 0.00 H new ATOM 0 HA GLN A 106 8.037 11.896 -4.141 1.00 0.00 H new ATOM 0 HB2 GLN A 106 6.861 12.775 -1.487 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.380 13.427 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.319 14.345 -4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.815 13.518 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.035 15.333 -1.519 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.842 16.536 -1.019 1.00 0.00 H new ATOM 1671 N ILE A 107 8.503 10.250 -1.321 1.00 0.00 N ATOM 1672 CA ILE A 107 9.484 9.489 -0.557 1.00 0.00 C ATOM 1673 C ILE A 107 10.051 8.339 -1.385 1.00 0.00 C ATOM 1674 O ILE A 107 11.259 8.104 -1.393 1.00 0.00 O ATOM 1675 CB ILE A 107 8.873 8.923 0.741 1.00 0.00 C ATOM 1676 CG1 ILE A 107 8.218 10.042 1.551 1.00 0.00 C ATOM 1677 CG2 ILE A 107 9.938 8.219 1.569 1.00 0.00 C ATOM 1678 CD1 ILE A 107 7.062 9.571 2.406 1.00 0.00 C ATOM 0 H ILE A 107 7.557 10.219 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 107 10.288 10.178 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 107 8.108 8.194 0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 107 8.969 10.503 2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.864 10.814 0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.489 7.826 2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.364 7.399 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.725 8.928 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.645 10.417 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.292 9.136 1.769 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.415 8.820 3.113 1.00 0.00 H new ATOM 1690 N ILE A 108 9.171 7.627 -2.081 1.00 0.00 N ATOM 1691 CA ILE A 108 9.585 6.503 -2.911 1.00 0.00 C ATOM 1692 C ILE A 108 10.328 6.983 -4.154 1.00 0.00 C ATOM 1693 O ILE A 108 11.208 6.293 -4.668 1.00 0.00 O ATOM 1694 CB ILE A 108 8.377 5.648 -3.346 1.00 0.00 C ATOM 1695 CG1 ILE A 108 7.525 5.274 -2.132 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.846 4.398 -4.075 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.083 4.972 -2.476 1.00 0.00 C ATOM 0 H ILE A 108 8.167 7.809 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 108 10.253 5.891 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 108 7.764 6.235 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 108 7.964 4.403 -1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.555 6.091 -1.412 1.00 0.00 H new ATOM 0 HG21 ILE A 108 7.981 3.806 -4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.414 4.685 -4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.479 3.807 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.538 4.715 -1.568 1.00 0.00 H new ATOM 0 HD12 ILE A 108 5.627 5.849 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.043 4.135 -3.173 1.00 0.00 H new ATOM 1709 N SER A 109 9.968 8.170 -4.631 1.00 0.00 N ATOM 1710 CA SER A 109 10.602 8.743 -5.813 1.00 0.00 C ATOM 1711 C SER A 109 11.910 9.437 -5.447 1.00 0.00 C ATOM 1712 O SER A 109 12.845 9.481 -6.246 1.00 0.00 O ATOM 1713 CB SER A 109 9.657 9.735 -6.493 1.00 0.00 C ATOM 1714 OG SER A 109 10.165 10.142 -7.752 1.00 0.00 O ATOM 0 H SER A 109 9.241 8.754 -4.217 1.00 0.00 H new ATOM 0 HA SER A 109 10.825 7.931 -6.505 1.00 0.00 H new ATOM 0 HB2 SER A 109 8.677 9.277 -6.624 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.519 10.607 -5.854 1.00 0.00 H new ATOM 0 HG SER A 109 9.542 10.775 -8.167 1.00 0.00 H new ATOM 1720 N ARG A 110 11.968 9.978 -4.234 1.00 0.00 N ATOM 1721 CA ARG A 110 13.162 10.670 -3.763 1.00 0.00 C ATOM 1722 C ARG A 110 14.288 9.681 -3.477 1.00 0.00 C ATOM 1723 O ARG A 110 15.463 9.986 -3.685 1.00 0.00 O ATOM 1724 CB ARG A 110 12.845 11.478 -2.503 1.00 0.00 C ATOM 1725 CG ARG A 110 12.410 12.906 -2.790 1.00 0.00 C ATOM 1726 CD ARG A 110 12.189 13.691 -1.506 1.00 0.00 C ATOM 1727 NE ARG A 110 13.415 13.815 -0.720 1.00 0.00 N ATOM 1728 CZ ARG A 110 13.819 12.916 0.176 1.00 0.00 C ATOM 1729 NH1 ARG A 110 13.103 11.822 0.405 1.00 0.00 N ATOM 1730 NH2 ARG A 110 14.946 13.113 0.847 1.00 0.00 N ATOM 0 H ARG A 110 11.203 9.950 -3.560 1.00 0.00 H new ATOM 0 HA ARG A 110 13.491 11.350 -4.549 1.00 0.00 H new ATOM 0 HB2 ARG A 110 12.057 10.972 -1.946 1.00 0.00 H new ATOM 0 HB3 ARG A 110 13.727 11.497 -1.862 1.00 0.00 H new ATOM 0 HG2 ARG A 110 13.168 13.403 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 110 11.490 12.897 -3.375 1.00 0.00 H new ATOM 0 HD2 ARG A 110 11.813 14.685 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 110 11.423 13.198 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 110 13.997 14.640 -0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 110 12.235 11.664 -0.107 1.00 0.00 H new ATOM 0 HH12 ARG A 110 13.421 11.139 1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 110 15.501 13.951 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 110 15.257 12.426 1.534 1.00 0.00 H new ATOM 1744 N TYR A 111 13.922 8.496 -3.000 1.00 0.00 N ATOM 1745 CA TYR A 111 14.902 7.463 -2.685 1.00 0.00 C ATOM 1746 C TYR A 111 15.153 6.550 -3.885 1.00 0.00 C ATOM 1747 O TYR A 111 15.795 5.507 -3.756 1.00 0.00 O ATOM 1748 CB TYR A 111 14.430 6.632 -1.491 1.00 0.00 C ATOM 1749 CG TYR A 111 14.251 7.436 -0.222 1.00 0.00 C ATOM 1750 CD1 TYR A 111 15.135 8.456 0.109 1.00 0.00 C ATOM 1751 CD2 TYR A 111 13.198 7.173 0.646 1.00 0.00 C ATOM 1752 CE1 TYR A 111 14.974 9.191 1.268 1.00 0.00 C ATOM 1753 CE2 TYR A 111 13.030 7.905 1.806 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.921 8.912 2.113 1.00 0.00 C ATOM 1755 OH TYR A 111 13.757 9.642 3.268 1.00 0.00 O ATOM 0 H TYR A 111 12.954 8.227 -2.823 1.00 0.00 H new ATOM 0 HA TYR A 111 15.839 7.959 -2.432 1.00 0.00 H new ATOM 0 HB2 TYR A 111 13.484 6.154 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 111 15.151 5.835 -1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 111 15.961 8.678 -0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.500 6.384 0.410 1.00 0.00 H new ATOM 0 HE1 TYR A 111 15.670 9.980 1.511 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.205 7.690 2.469 1.00 0.00 H new ATOM 0 HH TYR A 111 14.355 9.295 3.962 1.00 0.00 H new ATOM 1765 N LYS A 112 14.646 6.944 -5.050 1.00 0.00 N ATOM 1766 CA LYS A 112 14.822 6.156 -6.264 1.00 0.00 C ATOM 1767 C LYS A 112 15.984 6.690 -7.095 1.00 0.00 C ATOM 1768 O LYS A 112 16.707 5.926 -7.734 1.00 0.00 O ATOM 1769 CB LYS A 112 13.536 6.166 -7.094 1.00 0.00 C ATOM 1770 CG LYS A 112 12.662 4.942 -6.876 1.00 0.00 C ATOM 1771 CD LYS A 112 11.339 5.063 -7.615 1.00 0.00 C ATOM 1772 CE LYS A 112 10.907 3.730 -8.205 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.498 3.500 -9.552 1.00 0.00 N ATOM 0 H LYS A 112 14.111 7.803 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 112 15.049 5.130 -5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.962 7.060 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.796 6.233 -8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.190 4.051 -7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.474 4.813 -5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.571 5.426 -6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.432 5.802 -8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.205 2.923 -7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.820 3.700 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.179 2.581 -9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.193 4.256 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.536 3.503 -9.481 1.00 0.00 H new ATOM 1787 N ASP A 113 16.157 8.008 -7.082 1.00 0.00 N ATOM 1788 CA ASP A 113 17.232 8.645 -7.834 1.00 0.00 C ATOM 1789 C ASP A 113 18.557 8.538 -7.086 1.00 0.00 C ATOM 1790 O ASP A 113 19.622 8.463 -7.697 1.00 0.00 O ATOM 1791 CB ASP A 113 16.898 10.115 -8.096 1.00 0.00 C ATOM 1792 CG ASP A 113 16.162 10.315 -9.406 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.561 9.693 -10.413 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.186 11.095 -9.426 1.00 0.00 O ATOM 0 H ASP A 113 15.567 8.655 -6.559 1.00 0.00 H new ATOM 0 HA ASP A 113 17.331 8.127 -8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 113 16.288 10.498 -7.278 1.00 0.00 H new ATOM 0 HB3 ASP A 113 17.819 10.698 -8.107 1.00 0.00 H new ATOM 1799 N ALA A 114 18.482 8.532 -5.759 1.00 0.00 N ATOM 1800 CA ALA A 114 19.675 8.434 -4.927 1.00 0.00 C ATOM 1801 C ALA A 114 20.428 7.137 -5.198 1.00 0.00 C ATOM 1802 O ALA A 114 21.640 7.145 -5.416 1.00 0.00 O ATOM 1803 CB ALA A 114 19.301 8.531 -3.455 1.00 0.00 C ATOM 0 H ALA A 114 17.608 8.594 -5.237 1.00 0.00 H new ATOM 0 HA ALA A 114 20.333 9.265 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 114 20.201 8.456 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 114 18.813 9.487 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 114 18.621 7.719 -3.198 1.00 0.00 H new ATOM 1809 N ASP A 115 19.703 6.023 -5.184 1.00 0.00 N ATOM 1810 CA ASP A 115 20.304 4.717 -5.429 1.00 0.00 C ATOM 1811 C ASP A 115 19.497 3.932 -6.458 1.00 0.00 C ATOM 1812 O ASP A 115 20.041 2.956 -7.016 1.00 0.00 O ATOM 1813 CB ASP A 115 20.399 3.923 -4.125 1.00 0.00 C ATOM 1814 CG ASP A 115 21.652 3.073 -4.055 1.00 0.00 C ATOM 1815 OD1 ASP A 115 21.760 2.109 -4.842 1.00 0.00 O ATOM 1816 OD2 ASP A 115 22.526 3.371 -3.214 1.00 0.00 O ATOM 1817 OXT ASP A 115 18.327 4.298 -6.696 1.00 0.00 O ATOM 0 H ASP A 115 18.699 5.999 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 115 21.308 4.875 -5.824 1.00 0.00 H new ATOM 0 HB2 ASP A 115 20.384 4.613 -3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 115 19.523 3.282 -4.029 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N ASP B 453 -11.493 -16.618 -4.412 1.00 0.00 N ATOM 1824 CA ASP B 453 -12.229 -15.571 -5.112 1.00 0.00 C ATOM 1825 C ASP B 453 -12.743 -14.520 -4.134 1.00 0.00 C ATOM 1826 O ASP B 453 -13.817 -13.951 -4.328 1.00 0.00 O ATOM 1827 CB ASP B 453 -13.398 -16.175 -5.892 1.00 0.00 C ATOM 1828 CG ASP B 453 -13.636 -15.472 -7.214 1.00 0.00 C ATOM 1829 OD1 ASP B 453 -13.796 -14.233 -7.207 1.00 0.00 O ATOM 1830 OD2 ASP B 453 -13.661 -16.160 -8.256 1.00 0.00 O ATOM 0 HA ASP B 453 -11.547 -15.087 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -13.201 -17.231 -6.076 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -14.303 -16.120 -5.286 1.00 0.00 H new ATOM 1835 N LEU B 454 -11.969 -14.267 -3.083 1.00 0.00 N ATOM 1836 CA LEU B 454 -12.347 -13.284 -2.075 1.00 0.00 C ATOM 1837 C LEU B 454 -11.441 -12.058 -2.143 1.00 0.00 C ATOM 1838 O LEU B 454 -11.866 -10.943 -1.842 1.00 0.00 O ATOM 1839 CB LEU B 454 -12.280 -13.904 -0.678 1.00 0.00 C ATOM 1840 CG LEU B 454 -13.334 -13.395 0.307 1.00 0.00 C ATOM 1841 CD1 LEU B 454 -13.708 -14.486 1.299 1.00 0.00 C ATOM 1842 CD2 LEU B 454 -12.827 -12.160 1.036 1.00 0.00 C ATOM 0 H LEU B 454 -11.077 -14.729 -2.908 1.00 0.00 H new ATOM 0 HA LEU B 454 -13.371 -12.969 -2.277 1.00 0.00 H new ATOM 0 HB2 LEU B 454 -12.384 -14.985 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU B 454 -11.292 -13.714 -0.260 1.00 0.00 H new ATOM 0 HG LEU B 454 -14.228 -13.121 -0.254 1.00 0.00 H new ATOM 0 HD11 LEU B 454 -14.459 -14.106 1.992 1.00 0.00 H new ATOM 0 HD12 LEU B 454 -14.112 -15.344 0.761 1.00 0.00 H new ATOM 0 HD13 LEU B 454 -12.822 -14.791 1.856 1.00 0.00 H new ATOM 0 HD21 LEU B 454 -13.589 -11.811 1.733 1.00 0.00 H new ATOM 0 HD22 LEU B 454 -11.919 -12.409 1.586 1.00 0.00 H new ATOM 0 HD23 LEU B 454 -12.609 -11.374 0.313 1.00 0.00 H new ATOM 1854 N ASP B 455 -10.191 -12.274 -2.541 1.00 0.00 N ATOM 1855 CA ASP B 455 -9.225 -11.186 -2.648 1.00 0.00 C ATOM 1856 C ASP B 455 -9.274 -10.547 -4.032 1.00 0.00 C ATOM 1857 O ASP B 455 -8.990 -9.359 -4.188 1.00 0.00 O ATOM 1858 CB ASP B 455 -7.813 -11.701 -2.361 1.00 0.00 C ATOM 1859 CG ASP B 455 -7.450 -12.899 -3.216 1.00 0.00 C ATOM 1860 OD1 ASP B 455 -7.826 -14.030 -2.844 1.00 0.00 O ATOM 1861 OD2 ASP B 455 -6.789 -12.706 -4.259 1.00 0.00 O ATOM 0 H ASP B 455 -9.824 -13.191 -2.794 1.00 0.00 H new ATOM 0 HA ASP B 455 -9.486 -10.428 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP B 455 -7.094 -10.901 -2.538 1.00 0.00 H new ATOM 0 HB3 ASP B 455 -7.735 -11.972 -1.308 1.00 0.00 H new ATOM 1866 N GLU B 456 -9.636 -11.342 -5.035 1.00 0.00 N ATOM 1867 CA GLU B 456 -9.721 -10.852 -6.406 1.00 0.00 C ATOM 1868 C GLU B 456 -10.719 -9.703 -6.514 1.00 0.00 C ATOM 1869 O GLU B 456 -10.408 -8.647 -7.063 1.00 0.00 O ATOM 1870 CB GLU B 456 -10.127 -11.985 -7.350 1.00 0.00 C ATOM 1871 CG GLU B 456 -10.083 -11.599 -8.819 1.00 0.00 C ATOM 1872 CD GLU B 456 -11.458 -11.309 -9.388 1.00 0.00 C ATOM 1873 OE1 GLU B 456 -12.250 -12.263 -9.542 1.00 0.00 O ATOM 1874 OE2 GLU B 456 -11.744 -10.129 -9.679 1.00 0.00 O ATOM 0 H GLU B 456 -9.875 -12.327 -4.924 1.00 0.00 H new ATOM 0 HA GLU B 456 -8.737 -10.482 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU B 456 -9.466 -12.837 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU B 456 -11.136 -12.312 -7.099 1.00 0.00 H new ATOM 0 HG2 GLU B 456 -9.451 -10.719 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU B 456 -9.621 -12.405 -9.389 1.00 0.00 H new ATOM 1881 N SER B 457 -11.920 -9.918 -5.985 1.00 0.00 N ATOM 1882 CA SER B 457 -12.964 -8.900 -6.021 1.00 0.00 C ATOM 1883 C SER B 457 -12.524 -7.643 -5.278 1.00 0.00 C ATOM 1884 O SER B 457 -12.923 -6.532 -5.627 1.00 0.00 O ATOM 1885 CB SER B 457 -14.256 -9.443 -5.409 1.00 0.00 C ATOM 1886 OG SER B 457 -14.778 -10.510 -6.182 1.00 0.00 O ATOM 0 H SER B 457 -12.194 -10.787 -5.527 1.00 0.00 H new ATOM 0 HA SER B 457 -13.146 -8.639 -7.063 1.00 0.00 H new ATOM 0 HB2 SER B 457 -14.064 -9.786 -4.392 1.00 0.00 H new ATOM 0 HB3 SER B 457 -14.994 -8.644 -5.342 1.00 0.00 H new ATOM 0 HG SER B 457 -15.603 -10.840 -5.769 1.00 0.00 H new ATOM 1892 N TRP B 458 -11.700 -7.826 -4.252 1.00 0.00 N ATOM 1893 CA TRP B 458 -11.206 -6.707 -3.458 1.00 0.00 C ATOM 1894 C TRP B 458 -9.956 -6.096 -4.087 1.00 0.00 C ATOM 1895 O TRP B 458 -9.626 -4.938 -3.834 1.00 0.00 O ATOM 1896 CB TRP B 458 -10.903 -7.163 -2.029 1.00 0.00 C ATOM 1897 CG TRP B 458 -11.298 -6.160 -0.989 1.00 0.00 C ATOM 1898 CD1 TRP B 458 -10.553 -5.752 0.080 1.00 0.00 C ATOM 1899 CD2 TRP B 458 -12.534 -5.440 -0.916 1.00 0.00 C ATOM 1900 NE1 TRP B 458 -11.250 -4.821 0.813 1.00 0.00 N ATOM 1901 CE2 TRP B 458 -12.468 -4.613 0.222 1.00 0.00 C ATOM 1902 CE3 TRP B 458 -13.690 -5.412 -1.702 1.00 0.00 C ATOM 1903 CZ2 TRP B 458 -13.513 -3.769 0.591 1.00 0.00 C ATOM 1904 CZ3 TRP B 458 -14.726 -4.575 -1.334 1.00 0.00 C ATOM 1905 CH2 TRP B 458 -14.632 -3.763 -0.197 1.00 0.00 C ATOM 0 H TRP B 458 -11.360 -8.739 -3.951 1.00 0.00 H new ATOM 0 HA TRP B 458 -11.984 -5.944 -3.432 1.00 0.00 H new ATOM 0 HB2 TRP B 458 -11.425 -8.100 -1.836 1.00 0.00 H new ATOM 0 HB3 TRP B 458 -9.836 -7.368 -1.939 1.00 0.00 H new ATOM 0 HD1 TRP B 458 -9.561 -6.109 0.315 1.00 0.00 H new ATOM 0 HE1 TRP B 458 -10.915 -4.360 1.659 1.00 0.00 H new ATOM 0 HE3 TRP B 458 -13.772 -6.034 -2.581 1.00 0.00 H new ATOM 0 HZ2 TRP B 458 -13.443 -3.142 1.467 1.00 0.00 H new ATOM 0 HZ3 TRP B 458 -15.624 -4.547 -1.934 1.00 0.00 H new ATOM 0 HH2 TRP B 458 -15.459 -3.119 0.063 1.00 0.00 H new ATOM 1916 N ASP B 459 -9.263 -6.880 -4.908 1.00 0.00 N ATOM 1917 CA ASP B 459 -8.051 -6.410 -5.569 1.00 0.00 C ATOM 1918 C ASP B 459 -8.390 -5.490 -6.739 1.00 0.00 C ATOM 1919 O ASP B 459 -7.605 -4.612 -7.097 1.00 0.00 O ATOM 1920 CB ASP B 459 -7.222 -7.597 -6.063 1.00 0.00 C ATOM 1921 CG ASP B 459 -6.219 -8.071 -5.029 1.00 0.00 C ATOM 1922 OD1 ASP B 459 -5.150 -7.438 -4.906 1.00 0.00 O ATOM 1923 OD2 ASP B 459 -6.503 -9.076 -4.344 1.00 0.00 O ATOM 0 H ASP B 459 -9.520 -7.842 -5.131 1.00 0.00 H new ATOM 0 HA ASP B 459 -7.467 -5.844 -4.843 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -7.889 -8.419 -6.323 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -6.695 -7.314 -6.974 1.00 0.00 H new ATOM 1928 N TYR B 460 -9.561 -5.698 -7.332 1.00 0.00 N ATOM 1929 CA TYR B 460 -10.002 -4.888 -8.462 1.00 0.00 C ATOM 1930 C TYR B 460 -10.210 -3.435 -8.044 1.00 0.00 C ATOM 1931 O TYR B 460 -9.766 -2.513 -8.728 1.00 0.00 O ATOM 1932 CB TYR B 460 -11.296 -5.457 -9.049 1.00 0.00 C ATOM 1933 CG TYR B 460 -11.151 -5.946 -10.473 1.00 0.00 C ATOM 1934 CD1 TYR B 460 -10.072 -6.736 -10.849 1.00 0.00 C ATOM 1935 CD2 TYR B 460 -12.092 -5.616 -11.440 1.00 0.00 C ATOM 1936 CE1 TYR B 460 -9.936 -7.185 -12.149 1.00 0.00 C ATOM 1937 CE2 TYR B 460 -11.963 -6.061 -12.742 1.00 0.00 C ATOM 1938 CZ TYR B 460 -10.883 -6.845 -13.091 1.00 0.00 C ATOM 1939 OH TYR B 460 -10.751 -7.290 -14.387 1.00 0.00 O ATOM 0 H TYR B 460 -10.222 -6.421 -7.049 1.00 0.00 H new ATOM 0 HA TYR B 460 -9.223 -4.917 -9.224 1.00 0.00 H new ATOM 0 HB2 TYR B 460 -11.637 -6.282 -8.423 1.00 0.00 H new ATOM 0 HB3 TYR B 460 -12.069 -4.690 -9.014 1.00 0.00 H new ATOM 0 HD1 TYR B 460 -9.328 -7.004 -10.114 1.00 0.00 H new ATOM 0 HD2 TYR B 460 -12.938 -5.002 -11.170 1.00 0.00 H new ATOM 0 HE1 TYR B 460 -9.092 -7.799 -12.425 1.00 0.00 H new ATOM 0 HE2 TYR B 460 -12.704 -5.796 -13.482 1.00 0.00 H new ATOM 0 HH TYR B 460 -11.503 -6.963 -14.923 1.00 0.00 H new ATOM 1949 N ILE B 461 -10.891 -3.238 -6.919 1.00 0.00 N ATOM 1950 CA ILE B 461 -11.159 -1.896 -6.412 1.00 0.00 C ATOM 1951 C ILE B 461 -9.865 -1.113 -6.205 1.00 0.00 C ATOM 1952 O ILE B 461 -9.863 0.118 -6.232 1.00 0.00 O ATOM 1953 CB ILE B 461 -11.944 -1.943 -5.085 1.00 0.00 C ATOM 1954 CG1 ILE B 461 -12.294 -0.527 -4.620 1.00 0.00 C ATOM 1955 CG2 ILE B 461 -11.144 -2.676 -4.017 1.00 0.00 C ATOM 1956 CD1 ILE B 461 -13.073 -0.491 -3.323 1.00 0.00 C ATOM 0 H ILE B 461 -11.267 -3.990 -6.341 1.00 0.00 H new ATOM 0 HA ILE B 461 -11.764 -1.389 -7.164 1.00 0.00 H new ATOM 0 HB ILE B 461 -12.872 -2.489 -5.252 1.00 0.00 H new ATOM 0 HG12 ILE B 461 -11.374 0.044 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE B 461 -12.876 -0.032 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE B 461 -11.713 -2.699 -3.088 1.00 0.00 H new ATOM 0 HG22 ILE B 461 -10.946 -3.696 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE B 461 -10.199 -2.158 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE B 461 -13.286 0.544 -3.055 1.00 0.00 H new ATOM 0 HD12 ILE B 461 -14.010 -1.034 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE B 461 -12.485 -0.957 -2.532 1.00 0.00 H new ATOM 1968 N PHE B 462 -8.766 -1.832 -5.997 1.00 0.00 N ATOM 1969 CA PHE B 462 -7.469 -1.201 -5.784 1.00 0.00 C ATOM 1970 C PHE B 462 -6.634 -1.229 -7.061 1.00 0.00 C ATOM 1971 O PHE B 462 -5.818 -0.339 -7.300 1.00 0.00 O ATOM 1972 CB PHE B 462 -6.716 -1.903 -4.653 1.00 0.00 C ATOM 1973 CG PHE B 462 -7.158 -1.473 -3.283 1.00 0.00 C ATOM 1974 CD1 PHE B 462 -6.636 -0.328 -2.701 1.00 0.00 C ATOM 1975 CD2 PHE B 462 -8.094 -2.212 -2.579 1.00 0.00 C ATOM 1976 CE1 PHE B 462 -7.041 0.070 -1.440 1.00 0.00 C ATOM 1977 CE2 PHE B 462 -8.502 -1.819 -1.318 1.00 0.00 C ATOM 1978 CZ PHE B 462 -7.974 -0.677 -0.748 1.00 0.00 C ATOM 0 H PHE B 462 -8.748 -2.852 -5.972 1.00 0.00 H new ATOM 0 HA PHE B 462 -7.640 -0.161 -5.506 1.00 0.00 H new ATOM 0 HB2 PHE B 462 -6.853 -2.980 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE B 462 -5.649 -1.707 -4.760 1.00 0.00 H new ATOM 0 HD1 PHE B 462 -5.906 0.259 -3.238 1.00 0.00 H new ATOM 0 HD2 PHE B 462 -8.510 -3.106 -3.020 1.00 0.00 H new ATOM 0 HE1 PHE B 462 -6.628 0.964 -0.997 1.00 0.00 H new ATOM 0 HE2 PHE B 462 -9.233 -2.404 -0.779 1.00 0.00 H new ATOM 0 HZ PHE B 462 -8.290 -0.369 0.238 1.00 0.00 H new ATOM 1988 N GLU B 463 -6.842 -2.257 -7.877 1.00 0.00 N ATOM 1989 CA GLU B 463 -6.108 -2.400 -9.129 1.00 0.00 C ATOM 1990 C GLU B 463 -6.632 -1.428 -10.181 1.00 0.00 C ATOM 1991 O GLU B 463 -5.882 -0.962 -11.038 1.00 0.00 O ATOM 1992 CB GLU B 463 -6.215 -3.836 -9.646 1.00 0.00 C ATOM 1993 CG GLU B 463 -5.152 -4.194 -10.671 1.00 0.00 C ATOM 1994 CD GLU B 463 -5.699 -5.032 -11.810 1.00 0.00 C ATOM 1995 OE1 GLU B 463 -6.642 -5.815 -11.570 1.00 0.00 O ATOM 1996 OE2 GLU B 463 -5.185 -4.906 -12.941 1.00 0.00 O ATOM 0 H GLU B 463 -7.513 -3.003 -7.694 1.00 0.00 H new ATOM 0 HA GLU B 463 -5.061 -2.168 -8.936 1.00 0.00 H new ATOM 0 HB2 GLU B 463 -6.141 -4.523 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU B 463 -7.200 -3.981 -10.090 1.00 0.00 H new ATOM 0 HG2 GLU B 463 -4.718 -3.279 -11.074 1.00 0.00 H new ATOM 0 HG3 GLU B 463 -4.346 -4.739 -10.178 1.00 0.00 H new ATOM 2003 N THR B 464 -7.925 -1.127 -10.110 1.00 0.00 N ATOM 2004 CA THR B 464 -8.549 -0.211 -11.057 1.00 0.00 C ATOM 2005 C THR B 464 -8.180 1.235 -10.740 1.00 0.00 C ATOM 2006 O THR B 464 -8.659 1.808 -9.762 1.00 0.00 O ATOM 2007 CB THR B 464 -10.069 -0.378 -11.034 1.00 0.00 C ATOM 2008 OG1 THR B 464 -10.587 -0.077 -9.750 1.00 0.00 O ATOM 2009 CG2 THR B 464 -10.523 -1.776 -11.396 1.00 0.00 C ATOM 0 H THR B 464 -8.560 -1.504 -9.407 1.00 0.00 H new ATOM 0 HA THR B 464 -8.179 -0.451 -12.054 1.00 0.00 H new ATOM 0 HB THR B 464 -10.447 0.315 -11.785 1.00 0.00 H new ATOM 0 HG1 THR B 464 -10.406 -0.823 -9.141 1.00 0.00 H new ATOM 0 HG21 THR B 464 -11.611 -1.826 -11.360 1.00 0.00 H new ATOM 0 HG22 THR B 464 -10.181 -2.021 -12.402 1.00 0.00 H new ATOM 0 HG23 THR B 464 -10.104 -2.490 -10.687 1.00 0.00 H new ATOM 2017 N THR B 465 -7.326 1.818 -11.575 1.00 0.00 N ATOM 2018 CA THR B 465 -6.892 3.197 -11.384 1.00 0.00 C ATOM 2019 C THR B 465 -6.252 3.747 -12.654 1.00 0.00 C ATOM 2020 O THR B 465 -5.027 3.782 -12.778 1.00 0.00 O ATOM 2021 CB THR B 465 -5.904 3.287 -10.220 1.00 0.00 C ATOM 2022 OG1 THR B 465 -6.475 2.762 -9.035 1.00 0.00 O ATOM 2023 CG2 THR B 465 -5.453 4.701 -9.925 1.00 0.00 C ATOM 0 H THR B 465 -6.921 1.357 -12.390 1.00 0.00 H new ATOM 0 HA THR B 465 -7.771 3.799 -11.152 1.00 0.00 H new ATOM 0 HB THR B 465 -5.037 2.704 -10.532 1.00 0.00 H new ATOM 0 HG1 THR B 465 -7.452 2.779 -9.107 1.00 0.00 H new ATOM 0 HG21 THR B 465 -4.754 4.693 -9.089 1.00 0.00 H new ATOM 0 HG22 THR B 465 -4.962 5.117 -10.805 1.00 0.00 H new ATOM 0 HG23 THR B 465 -6.318 5.313 -9.669 1.00 0.00 H new TER 2031 THR B 465