USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=35 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 59 MET CE :methyl -175:sc= -1.69! (180deg=-1.64!) USER MOD Set 1.2: A 88 MET CE :methyl 164:sc= -1.3 (180deg=-0.883) USER MOD Set 2.1: A 69 SER OG : rot 180:sc= 0.00891 USER MOD Set 2.2: A 71 LYS NZ :NH3+ -174:sc= -1.2 (180deg=-1.32) USER MOD Set 3.1: A 38 HIS : no HE2:sc= 0 K(o=-0.74,f=-1.5) USER MOD Set 3.2: A 87 HIS : no HD1:sc= -0.743 X(o=-0.74,f=-0.64) USER MOD Set 4.1: A 3 HIS : no HD1:sc= -1.09 K(o=-0.74,f=-3.1!) USER MOD Set 4.2: A 4 SER OG : rot -47:sc= 0.349 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -99:sc= -0.848 (180deg=-2.4!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.173 K(o=-0.17,f=-2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 160:sc= 0.627 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.104 USER MOD Single : A 44 THR OG1 : rot -59:sc= 0.227 USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= 0.122 (180deg=0.00753) USER MOD Single : A 49 GLN : amide:sc= -2.34! K(o=-2.3!,f=-0.11) USER MOD Single : A 51 THR OG1 : rot 42:sc= 0.212 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -156:sc= 1.02 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0509) USER MOD Single : A 58 MET CE :methyl 134:sc= -1.97 (180deg=-3.83!) USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= -0.589 (180deg=-3.56!) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= -0.0131 (180deg=-0.185) USER MOD Single : A 73 LYS NZ :NH3+ 133:sc= 0.577 (180deg=-1.48) USER MOD Single : A 75 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.2!) USER MOD Single : A 78 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.5!) 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=-0.087) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.395 X(o=-0.39,f=-0.4) USER MOD Single : A 93 ASN : amide:sc= 0.156 K(o=0.16,f=-3.7!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -149:sc= 0 (180deg=-0.0754) USER MOD Single : A 99 ASN : amide:sc= -1.04 X(o=-1,f=-0.64) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -119:sc= -4.53 (180deg=-11.8!) USER MOD Single : A 103 THR OG1 : rot 125:sc= 1.19 USER MOD Single : A 105 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.65) USER MOD Single : A 106 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.63) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 30:sc= -2.04 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 99 THR OG1 : rot 180:sc= 0 USER MOD Single : B 102 ASN : amide:sc= -0.171 K(o=-0.17,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.611 13.082 7.743 1.00 0.00 N ATOM 2 CA PRO A 1 -12.794 11.854 7.544 1.00 0.00 C ATOM 3 C PRO A 1 -11.615 12.105 6.605 1.00 0.00 C ATOM 4 O PRO A 1 -11.780 12.155 5.387 1.00 0.00 O ATOM 5 CB PRO A 1 -13.711 10.778 6.972 1.00 0.00 C ATOM 6 CG PRO A 1 -15.070 11.392 7.008 1.00 0.00 C ATOM 7 CD PRO A 1 -14.863 12.887 6.994 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.113 13.906 7.407 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.802 13.233 8.734 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.372 11.538 8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.423 10.510 5.956 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.671 9.865 7.566 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -15.663 11.074 6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.612 11.083 7.902 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -14.783 13.269 5.976 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.695 13.409 7.466 1.00 0.00 H new ATOM 17 N SER A 2 -10.428 12.262 7.181 1.00 0.00 N ATOM 18 CA SER A 2 -9.224 12.508 6.397 1.00 0.00 C ATOM 19 C SER A 2 -8.334 11.270 6.364 1.00 0.00 C ATOM 20 O SER A 2 -7.813 10.894 5.314 1.00 0.00 O ATOM 21 CB SER A 2 -8.447 13.693 6.972 1.00 0.00 C ATOM 22 OG SER A 2 -8.842 14.908 6.358 1.00 0.00 O ATOM 0 H SER A 2 -10.274 12.223 8.189 1.00 0.00 H new ATOM 0 HA SER A 2 -9.528 12.743 5.377 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.614 13.754 8.047 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.378 13.538 6.824 1.00 0.00 H new ATOM 0 HG SER A 2 -8.332 15.651 6.744 1.00 0.00 H new ATOM 28 N HIS A 3 -8.163 10.639 7.522 1.00 0.00 N ATOM 29 CA HIS A 3 -7.334 9.443 7.625 1.00 0.00 C ATOM 30 C HIS A 3 -8.185 8.179 7.543 1.00 0.00 C ATOM 31 O HIS A 3 -7.939 7.205 8.255 1.00 0.00 O ATOM 32 CB HIS A 3 -6.535 9.462 8.932 1.00 0.00 C ATOM 33 CG HIS A 3 -7.344 9.128 10.148 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.717 9.246 10.199 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.962 8.674 11.363 1.00 0.00 C ATOM 36 CE1 HIS A 3 -9.143 8.881 11.395 1.00 0.00 C ATOM 37 NE2 HIS A 3 -8.097 8.529 12.120 1.00 0.00 N ATOM 0 H HIS A 3 -8.587 10.936 8.401 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.638 9.439 6.786 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.710 8.754 8.852 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.095 10.451 9.062 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.951 8.464 11.679 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -10.172 8.872 11.724 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.128 8.202 13.086 1.00 0.00 H new ATOM 46 N SER A 4 -9.186 8.200 6.668 1.00 0.00 N ATOM 47 CA SER A 4 -10.072 7.054 6.491 1.00 0.00 C ATOM 48 C SER A 4 -10.901 7.196 5.218 1.00 0.00 C ATOM 49 O SER A 4 -11.542 8.223 4.995 1.00 0.00 O ATOM 50 CB SER A 4 -11.001 6.906 7.698 1.00 0.00 C ATOM 51 OG SER A 4 -10.317 7.179 8.910 1.00 0.00 O ATOM 0 H SER A 4 -9.404 8.998 6.071 1.00 0.00 H new ATOM 0 HA SER A 4 -9.452 6.162 6.405 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.847 7.585 7.594 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.406 5.894 7.726 1.00 0.00 H new ATOM 0 HG SER A 4 -9.459 6.706 8.915 1.00 0.00 H new ATOM 57 N GLY A 5 -10.893 6.155 4.390 1.00 0.00 N ATOM 58 CA GLY A 5 -11.655 6.182 3.157 1.00 0.00 C ATOM 59 C GLY A 5 -12.172 4.809 2.788 1.00 0.00 C ATOM 60 O GLY A 5 -11.585 3.801 3.171 1.00 0.00 O ATOM 0 H GLY A 5 -10.372 5.294 4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.494 6.870 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.029 6.564 2.351 1.00 0.00 H new ATOM 64 N ALA A 6 -13.271 4.764 2.047 1.00 0.00 N ATOM 65 CA ALA A 6 -13.851 3.492 1.642 1.00 0.00 C ATOM 66 C ALA A 6 -12.980 2.813 0.595 1.00 0.00 C ATOM 67 O ALA A 6 -12.978 3.197 -0.574 1.00 0.00 O ATOM 68 CB ALA A 6 -15.264 3.695 1.122 1.00 0.00 C ATOM 0 H ALA A 6 -13.775 5.587 1.717 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.898 2.841 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.683 2.734 0.823 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.881 4.132 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.243 4.365 0.262 1.00 0.00 H new ATOM 74 N ALA A 7 -12.230 1.803 1.030 1.00 0.00 N ATOM 75 CA ALA A 7 -11.341 1.070 0.136 1.00 0.00 C ATOM 76 C ALA A 7 -11.871 -0.335 -0.137 1.00 0.00 C ATOM 77 O ALA A 7 -12.591 -0.907 0.682 1.00 0.00 O ATOM 78 CB ALA A 7 -9.937 1.004 0.726 1.00 0.00 C ATOM 0 H ALA A 7 -12.221 1.475 1.996 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.300 1.603 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.283 0.454 0.049 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.552 2.014 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.971 0.496 1.690 1.00 0.00 H new ATOM 84 N ILE A 8 -11.513 -0.885 -1.294 1.00 0.00 N ATOM 85 CA ILE A 8 -11.955 -2.221 -1.676 1.00 0.00 C ATOM 86 C ILE A 8 -10.837 -3.244 -1.495 1.00 0.00 C ATOM 87 O ILE A 8 -9.662 -2.939 -1.704 1.00 0.00 O ATOM 88 CB ILE A 8 -12.457 -2.248 -3.138 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.864 -1.661 -3.214 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.443 -3.659 -3.712 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.930 -0.382 -3.998 1.00 0.00 C ATOM 0 H ILE A 8 -10.918 -0.425 -1.983 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.783 -2.487 -1.018 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.778 -1.642 -3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.532 -2.393 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.230 -1.479 -2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.802 -3.637 -4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.426 -4.050 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.091 -4.301 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.957 -0.017 -4.014 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.287 0.364 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.594 -0.563 -5.019 1.00 0.00 H new ATOM 103 N PHE A 9 -11.211 -4.460 -1.108 1.00 0.00 N ATOM 104 CA PHE A 9 -10.242 -5.530 -0.904 1.00 0.00 C ATOM 105 C PHE A 9 -10.844 -6.873 -1.294 1.00 0.00 C ATOM 106 O PHE A 9 -12.013 -7.139 -1.024 1.00 0.00 O ATOM 107 CB PHE A 9 -9.786 -5.565 0.556 1.00 0.00 C ATOM 108 CG PHE A 9 -8.568 -6.412 0.784 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.303 -5.925 0.496 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.688 -7.699 1.287 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.181 -6.702 0.705 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.568 -8.481 1.498 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.313 -7.983 1.207 1.00 0.00 C ATOM 0 H PHE A 9 -12.179 -4.728 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.377 -5.336 -1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.578 -4.548 0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.601 -5.942 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.193 -4.925 0.103 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.667 -8.094 1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.201 -6.309 0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.674 -9.482 1.890 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.437 -8.593 1.371 1.00 0.00 H new ATOM 123 N GLU A 10 -10.046 -7.717 -1.938 1.00 0.00 N ATOM 124 CA GLU A 10 -10.516 -9.030 -2.365 1.00 0.00 C ATOM 125 C GLU A 10 -11.784 -8.909 -3.209 1.00 0.00 C ATOM 126 O GLU A 10 -12.618 -9.815 -3.224 1.00 0.00 O ATOM 127 CB GLU A 10 -10.782 -9.920 -1.150 1.00 0.00 C ATOM 128 CG GLU A 10 -9.569 -10.719 -0.704 1.00 0.00 C ATOM 129 CD GLU A 10 -9.918 -11.796 0.304 1.00 0.00 C ATOM 130 OE1 GLU A 10 -10.504 -12.822 -0.101 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.604 -11.614 1.499 1.00 0.00 O ATOM 0 H GLU A 10 -9.074 -7.517 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.737 -9.485 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.121 -9.298 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.594 -10.608 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.102 -11.179 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.834 -10.043 -0.268 1.00 0.00 H new ATOM 138 N LYS A 11 -11.918 -7.781 -3.909 1.00 0.00 N ATOM 139 CA LYS A 11 -13.077 -7.522 -4.767 1.00 0.00 C ATOM 140 C LYS A 11 -14.275 -7.003 -3.968 1.00 0.00 C ATOM 141 O LYS A 11 -15.307 -6.663 -4.545 1.00 0.00 O ATOM 142 CB LYS A 11 -13.478 -8.783 -5.544 1.00 0.00 C ATOM 143 CG LYS A 11 -12.293 -9.569 -6.082 1.00 0.00 C ATOM 144 CD LYS A 11 -12.351 -9.706 -7.596 1.00 0.00 C ATOM 145 CE LYS A 11 -13.585 -10.476 -8.037 1.00 0.00 C ATOM 146 NZ LYS A 11 -14.689 -9.567 -8.453 1.00 0.00 N ATOM 0 H LYS A 11 -11.232 -7.026 -3.898 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.780 -6.747 -5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.066 -9.429 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.122 -8.498 -6.376 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.366 -9.071 -5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.276 -10.559 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.356 -8.716 -8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.456 -10.216 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.325 -11.134 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.927 -11.112 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.367 -9.464 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.298 -8.635 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.174 -9.966 -9.282 1.00 0.00 H new ATOM 160 N VAL A 12 -14.137 -6.935 -2.645 1.00 0.00 N ATOM 161 CA VAL A 12 -15.216 -6.447 -1.797 1.00 0.00 C ATOM 162 C VAL A 12 -14.921 -5.036 -1.311 1.00 0.00 C ATOM 163 O VAL A 12 -13.779 -4.702 -1.000 1.00 0.00 O ATOM 164 CB VAL A 12 -15.452 -7.376 -0.588 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.269 -7.364 0.370 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.737 -7.001 0.137 1.00 0.00 C ATOM 0 H VAL A 12 -13.293 -7.210 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.123 -6.436 -2.401 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.554 -8.392 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.473 -8.030 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.374 -7.702 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.112 -6.351 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.884 -7.669 0.986 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.668 -5.973 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.581 -7.093 -0.547 1.00 0.00 H new ATOM 176 N SER A 13 -15.951 -4.203 -1.254 1.00 0.00 N ATOM 177 CA SER A 13 -15.777 -2.830 -0.810 1.00 0.00 C ATOM 178 C SER A 13 -15.959 -2.716 0.697 1.00 0.00 C ATOM 179 O SER A 13 -16.932 -3.220 1.258 1.00 0.00 O ATOM 180 CB SER A 13 -16.755 -1.901 -1.524 1.00 0.00 C ATOM 181 OG SER A 13 -17.075 -2.389 -2.816 1.00 0.00 O ATOM 0 H SER A 13 -16.907 -4.452 -1.507 1.00 0.00 H new ATOM 0 HA SER A 13 -14.760 -2.528 -1.060 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.666 -1.804 -0.933 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.320 -0.905 -1.606 1.00 0.00 H new ATOM 0 HG SER A 13 -17.704 -1.776 -3.251 1.00 0.00 H new ATOM 187 N GLY A 14 -15.013 -2.050 1.345 1.00 0.00 N ATOM 188 CA GLY A 14 -15.080 -1.876 2.780 1.00 0.00 C ATOM 189 C GLY A 14 -14.744 -0.463 3.203 1.00 0.00 C ATOM 190 O GLY A 14 -15.128 0.500 2.540 1.00 0.00 O ATOM 0 H GLY A 14 -14.199 -1.627 0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.082 -2.129 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.391 -2.570 3.261 1.00 0.00 H new ATOM 194 N ILE A 15 -14.021 -0.339 4.308 1.00 0.00 N ATOM 195 CA ILE A 15 -13.629 0.967 4.816 1.00 0.00 C ATOM 196 C ILE A 15 -12.188 0.953 5.287 1.00 0.00 C ATOM 197 O ILE A 15 -11.828 0.204 6.190 1.00 0.00 O ATOM 198 CB ILE A 15 -14.516 1.411 5.994 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.983 1.062 5.720 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.342 2.902 6.258 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.649 1.947 4.691 1.00 0.00 C ATOM 0 H ILE A 15 -13.695 -1.126 4.868 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.748 1.669 3.991 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.205 0.874 6.890 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.042 0.026 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.541 1.127 6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.976 3.200 7.093 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.300 3.109 6.501 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.626 3.465 5.369 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.684 1.633 4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.625 2.982 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.119 1.865 3.742 1.00 0.00 H new ATOM 213 N ILE A 16 -11.372 1.801 4.690 1.00 0.00 N ATOM 214 CA ILE A 16 -9.974 1.894 5.066 1.00 0.00 C ATOM 215 C ILE A 16 -9.791 3.034 6.055 1.00 0.00 C ATOM 216 O ILE A 16 -10.136 4.178 5.771 1.00 0.00 O ATOM 217 CB ILE A 16 -9.074 2.075 3.819 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.396 0.747 3.478 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.025 3.161 4.009 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.421 0.835 2.322 1.00 0.00 C ATOM 0 H ILE A 16 -11.653 2.435 3.942 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.670 0.964 5.546 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.715 2.391 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.868 0.383 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.162 0.010 3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.422 3.246 3.105 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.518 4.113 4.207 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.383 2.903 4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.982 -0.146 2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.947 1.168 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.632 1.547 2.565 1.00 0.00 H new ATOM 232 N ALA A 17 -9.271 2.708 7.227 1.00 0.00 N ATOM 233 CA ALA A 17 -9.074 3.707 8.265 1.00 0.00 C ATOM 234 C ALA A 17 -7.729 3.529 8.962 1.00 0.00 C ATOM 235 O ALA A 17 -7.363 2.424 9.360 1.00 0.00 O ATOM 236 CB ALA A 17 -10.220 3.638 9.264 1.00 0.00 C ATOM 0 H ALA A 17 -8.979 1.765 7.483 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.066 4.693 7.801 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.071 4.387 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.162 3.830 8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.249 2.647 9.716 1.00 0.00 H new ATOM 242 N ILE A 18 -6.997 4.630 9.100 1.00 0.00 N ATOM 243 CA ILE A 18 -5.688 4.609 9.741 1.00 0.00 C ATOM 244 C ILE A 18 -5.811 4.710 11.260 1.00 0.00 C ATOM 245 O ILE A 18 -6.413 5.647 11.784 1.00 0.00 O ATOM 246 CB ILE A 18 -4.798 5.759 9.224 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.635 5.663 7.705 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.437 5.738 9.907 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.677 6.441 6.933 1.00 0.00 C ATOM 0 H ILE A 18 -7.290 5.551 8.775 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.224 3.656 9.487 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.285 6.704 9.464 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.645 6.027 7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.683 4.615 7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.827 6.557 9.527 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.568 5.852 10.983 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.941 4.790 9.700 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.498 6.327 5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.669 6.062 7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.615 7.496 7.200 1.00 0.00 H new ATOM 261 N ASN A 19 -5.228 3.740 11.957 1.00 0.00 N ATOM 262 CA ASN A 19 -5.261 3.716 13.415 1.00 0.00 C ATOM 263 C ASN A 19 -4.087 4.496 13.996 1.00 0.00 C ATOM 264 O ASN A 19 -3.000 3.950 14.188 1.00 0.00 O ATOM 265 CB ASN A 19 -5.232 2.273 13.923 1.00 0.00 C ATOM 266 CG ASN A 19 -5.861 2.130 15.295 1.00 0.00 C ATOM 267 OD1 ASN A 19 -6.616 2.995 15.737 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.552 1.032 15.976 1.00 0.00 N ATOM 0 H ASN A 19 -4.726 2.959 11.535 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.187 4.189 13.742 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.758 1.631 13.216 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.200 1.925 13.962 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.946 0.880 16.905 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.921 0.341 15.570 1.00 0.00 H new ATOM 275 N GLU A 20 -4.314 5.775 14.275 1.00 0.00 N ATOM 276 CA GLU A 20 -3.274 6.629 14.838 1.00 0.00 C ATOM 277 C GLU A 20 -3.395 6.705 16.356 1.00 0.00 C ATOM 278 O GLU A 20 -2.952 7.673 16.976 1.00 0.00 O ATOM 279 CB GLU A 20 -3.357 8.033 14.235 1.00 0.00 C ATOM 280 CG GLU A 20 -2.740 8.138 12.851 1.00 0.00 C ATOM 281 CD GLU A 20 -1.368 8.784 12.871 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.126 9.633 13.754 1.00 0.00 O ATOM 283 OE2 GLU A 20 -0.537 8.440 12.004 1.00 0.00 O ATOM 0 H GLU A 20 -5.207 6.243 14.121 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.306 6.192 14.592 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.403 8.335 14.181 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.856 8.736 14.901 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.662 7.142 12.416 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.401 8.717 12.206 1.00 0.00 H new ATOM 290 N ASP A 21 -3.993 5.678 16.950 1.00 0.00 N ATOM 291 CA ASP A 21 -4.164 5.624 18.396 1.00 0.00 C ATOM 292 C ASP A 21 -3.159 4.666 19.032 1.00 0.00 C ATOM 293 O ASP A 21 -3.051 4.590 20.255 1.00 0.00 O ATOM 294 CB ASP A 21 -5.590 5.191 18.745 1.00 0.00 C ATOM 295 CG ASP A 21 -6.632 6.161 18.225 1.00 0.00 C ATOM 296 OD1 ASP A 21 -6.428 7.385 18.368 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.653 5.697 17.675 1.00 0.00 O ATOM 0 H ASP A 21 -4.368 4.871 16.451 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.985 6.623 18.794 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.779 4.202 18.328 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.686 5.105 19.827 1.00 0.00 H new ATOM 302 N VAL A 22 -2.423 3.937 18.195 1.00 0.00 N ATOM 303 CA VAL A 22 -1.428 2.989 18.685 1.00 0.00 C ATOM 304 C VAL A 22 -0.019 3.545 18.516 1.00 0.00 C ATOM 305 O VAL A 22 0.158 4.681 18.074 1.00 0.00 O ATOM 306 CB VAL A 22 -1.529 1.639 17.949 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.926 1.055 18.092 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.157 1.798 16.480 1.00 0.00 C ATOM 0 H VAL A 22 -2.497 3.985 17.179 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.631 2.830 19.744 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.822 0.946 18.405 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.978 0.102 17.566 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.149 0.899 19.148 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.654 1.745 17.665 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.235 0.833 15.979 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.836 2.508 16.008 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.134 2.166 16.402 1.00 0.00 H new ATOM 318 N SER A 23 0.985 2.740 18.854 1.00 0.00 N ATOM 319 CA SER A 23 2.369 3.171 18.714 1.00 0.00 C ATOM 320 C SER A 23 2.688 3.388 17.237 1.00 0.00 C ATOM 321 O SER A 23 2.886 4.523 16.803 1.00 0.00 O ATOM 322 CB SER A 23 3.328 2.155 19.339 1.00 0.00 C ATOM 323 OG SER A 23 3.856 2.638 20.562 1.00 0.00 O ATOM 0 H SER A 23 0.867 1.796 19.223 1.00 0.00 H new ATOM 0 HA SER A 23 2.501 4.112 19.247 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.805 1.214 19.511 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.142 1.944 18.646 1.00 0.00 H new ATOM 0 HG SER A 23 4.464 1.970 20.942 1.00 0.00 H new ATOM 329 N PRO A 24 2.711 2.311 16.427 1.00 0.00 N ATOM 330 CA PRO A 24 2.970 2.414 15.002 1.00 0.00 C ATOM 331 C PRO A 24 1.672 2.587 14.228 1.00 0.00 C ATOM 332 O PRO A 24 0.865 1.661 14.142 1.00 0.00 O ATOM 333 CB PRO A 24 3.594 1.067 14.688 1.00 0.00 C ATOM 334 CG PRO A 24 2.879 0.116 15.590 1.00 0.00 C ATOM 335 CD PRO A 24 2.462 0.905 16.815 1.00 0.00 C ATOM 0 HA PRO A 24 3.595 3.266 14.734 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.460 0.800 13.640 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.667 1.070 14.881 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.009 -0.311 15.091 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.527 -0.715 15.868 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.414 0.737 17.062 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.045 0.622 17.691 1.00 0.00 H new ATOM 343 N ALA A 25 1.467 3.773 13.677 1.00 0.00 N ATOM 344 CA ALA A 25 0.251 4.059 12.924 1.00 0.00 C ATOM 345 C ALA A 25 -0.044 2.953 11.915 1.00 0.00 C ATOM 346 O ALA A 25 0.752 2.688 11.016 1.00 0.00 O ATOM 347 CB ALA A 25 0.360 5.408 12.231 1.00 0.00 C ATOM 0 H ALA A 25 2.123 4.552 13.735 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.582 4.098 13.626 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.556 5.606 11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.507 6.189 12.977 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.207 5.397 11.545 1.00 0.00 H new ATOM 353 N GLU A 26 -1.191 2.305 12.084 1.00 0.00 N ATOM 354 CA GLU A 26 -1.594 1.216 11.203 1.00 0.00 C ATOM 355 C GLU A 26 -2.784 1.621 10.335 1.00 0.00 C ATOM 356 O GLU A 26 -3.384 2.676 10.532 1.00 0.00 O ATOM 357 CB GLU A 26 -1.955 -0.019 12.028 1.00 0.00 C ATOM 358 CG GLU A 26 -0.948 -0.338 13.121 1.00 0.00 C ATOM 359 CD GLU A 26 -1.211 -1.676 13.783 1.00 0.00 C ATOM 360 OE1 GLU A 26 -2.389 -1.976 14.069 1.00 0.00 O ATOM 361 OE2 GLU A 26 -0.238 -2.424 14.016 1.00 0.00 O ATOM 0 H GLU A 26 -1.859 2.516 12.825 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.754 0.984 10.548 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.935 0.131 12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.040 -0.878 11.362 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.056 -0.338 12.696 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.975 0.448 13.876 1.00 0.00 H new ATOM 368 N LEU A 27 -3.120 0.758 9.387 1.00 0.00 N ATOM 369 CA LEU A 27 -4.240 0.983 8.485 1.00 0.00 C ATOM 370 C LEU A 27 -5.200 -0.198 8.578 1.00 0.00 C ATOM 371 O LEU A 27 -4.869 -1.308 8.159 1.00 0.00 O ATOM 372 CB LEU A 27 -3.732 1.151 7.049 1.00 0.00 C ATOM 373 CG LEU A 27 -4.816 1.397 5.996 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.499 2.647 5.187 1.00 0.00 C ATOM 375 CD2 LEU A 27 -4.955 0.192 5.076 1.00 0.00 C ATOM 0 H LEU A 27 -2.624 -0.118 9.222 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.765 1.895 8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.029 1.984 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.175 0.256 6.771 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.765 1.548 6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.280 2.807 4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.450 3.509 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.540 2.522 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.730 0.387 4.335 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.007 0.009 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.227 -0.685 5.664 1.00 0.00 H new ATOM 387 N THR A 28 -6.373 0.029 9.157 1.00 0.00 N ATOM 388 CA THR A 28 -7.350 -1.042 9.333 1.00 0.00 C ATOM 389 C THR A 28 -8.522 -0.931 8.365 1.00 0.00 C ATOM 390 O THR A 28 -9.311 0.011 8.430 1.00 0.00 O ATOM 391 CB THR A 28 -7.873 -1.041 10.769 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.829 -0.758 11.684 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.500 -2.355 11.180 1.00 0.00 C ATOM 0 H THR A 28 -6.671 0.938 9.511 1.00 0.00 H new ATOM 0 HA THR A 28 -6.836 -1.979 9.119 1.00 0.00 H new ATOM 0 HB THR A 28 -8.641 -0.268 10.795 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.185 -0.760 12.597 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.850 -2.285 12.210 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.342 -2.577 10.525 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.760 -3.151 11.102 1.00 0.00 H new ATOM 401 N TRP A 29 -8.640 -1.919 7.482 1.00 0.00 N ATOM 402 CA TRP A 29 -9.720 -1.963 6.518 1.00 0.00 C ATOM 403 C TRP A 29 -10.918 -2.710 7.095 1.00 0.00 C ATOM 404 O TRP A 29 -10.871 -3.927 7.276 1.00 0.00 O ATOM 405 CB TRP A 29 -9.256 -2.655 5.236 1.00 0.00 C ATOM 406 CG TRP A 29 -10.369 -2.884 4.266 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.981 -1.942 3.504 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.015 -4.127 3.971 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.965 -2.519 2.734 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.005 -3.863 3.005 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.847 -5.437 4.426 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.824 -4.864 2.489 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.662 -6.428 3.913 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.637 -6.138 2.954 1.00 0.00 C ATOM 0 H TRP A 29 -7.991 -2.704 7.420 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.016 -0.940 6.287 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.485 -2.049 4.760 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.799 -3.611 5.490 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.732 -0.891 3.502 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.565 -2.028 2.071 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.095 -5.671 5.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.579 -4.643 1.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.544 -7.444 4.259 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.256 -6.936 2.572 1.00 0.00 H new ATOM 425 N ARG A 30 -11.989 -1.983 7.369 1.00 0.00 N ATOM 426 CA ARG A 30 -13.201 -2.582 7.911 1.00 0.00 C ATOM 427 C ARG A 30 -14.310 -2.566 6.867 1.00 0.00 C ATOM 428 O ARG A 30 -14.744 -1.501 6.430 1.00 0.00 O ATOM 429 CB ARG A 30 -13.652 -1.835 9.168 1.00 0.00 C ATOM 430 CG ARG A 30 -12.568 -1.716 10.227 1.00 0.00 C ATOM 431 CD ARG A 30 -13.037 -0.892 11.416 1.00 0.00 C ATOM 432 NE ARG A 30 -13.351 0.485 11.041 1.00 0.00 N ATOM 433 CZ ARG A 30 -14.541 0.883 10.594 1.00 0.00 C ATOM 434 NH1 ARG A 30 -15.537 0.014 10.460 1.00 0.00 N ATOM 435 NH2 ARG A 30 -14.737 2.156 10.279 1.00 0.00 N ATOM 0 H ARG A 30 -12.045 -0.975 7.225 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.984 -3.616 8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.985 -0.836 8.887 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.512 -2.349 9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.277 -2.711 10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.681 -1.256 9.791 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.920 -1.358 11.854 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.263 -0.891 12.184 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.614 1.184 11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.394 -0.967 10.700 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -16.445 0.328 10.117 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.977 2.829 10.379 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.648 2.462 9.937 1.00 0.00 H new ATOM 449 N SER A 31 -14.761 -3.751 6.462 1.00 0.00 N ATOM 450 CA SER A 31 -15.814 -3.867 5.457 1.00 0.00 C ATOM 451 C SER A 31 -16.974 -2.923 5.763 1.00 0.00 C ATOM 452 O SER A 31 -17.051 -2.347 6.848 1.00 0.00 O ATOM 453 CB SER A 31 -16.314 -5.313 5.377 1.00 0.00 C ATOM 454 OG SER A 31 -17.715 -5.367 5.155 1.00 0.00 O ATOM 0 H SER A 31 -14.414 -4.643 6.814 1.00 0.00 H new ATOM 0 HA SER A 31 -15.393 -3.583 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.796 -5.834 4.572 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.071 -5.835 6.302 1.00 0.00 H new ATOM 0 HG SER A 31 -17.955 -6.246 4.795 1.00 0.00 H new ATOM 460 N THR A 32 -17.877 -2.778 4.800 1.00 0.00 N ATOM 461 CA THR A 32 -19.034 -1.915 4.963 1.00 0.00 C ATOM 462 C THR A 32 -20.027 -2.567 5.903 1.00 0.00 C ATOM 463 O THR A 32 -20.627 -1.914 6.757 1.00 0.00 O ATOM 464 CB THR A 32 -19.694 -1.652 3.611 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.977 -2.287 2.566 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.794 -0.182 3.271 1.00 0.00 C ATOM 0 H THR A 32 -17.827 -3.250 3.897 1.00 0.00 H new ATOM 0 HA THR A 32 -18.709 -0.963 5.384 1.00 0.00 H new ATOM 0 HB THR A 32 -20.701 -2.059 3.700 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.418 -2.106 1.710 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.272 -0.065 2.298 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.387 0.328 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.795 0.253 3.239 1.00 0.00 H new ATOM 474 N ASP A 33 -20.186 -3.867 5.730 1.00 0.00 N ATOM 475 CA ASP A 33 -21.098 -4.644 6.551 1.00 0.00 C ATOM 476 C ASP A 33 -20.386 -5.219 7.767 1.00 0.00 C ATOM 477 O ASP A 33 -20.965 -5.325 8.849 1.00 0.00 O ATOM 478 CB ASP A 33 -21.732 -5.768 5.730 1.00 0.00 C ATOM 479 CG ASP A 33 -22.911 -5.289 4.907 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.944 -4.923 5.506 1.00 0.00 O ATOM 481 OD2 ASP A 33 -22.803 -5.282 3.663 1.00 0.00 O ATOM 0 H ASP A 33 -19.691 -4.410 5.023 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.885 -3.976 6.901 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.981 -6.198 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.059 -6.563 6.400 1.00 0.00 H new ATOM 486 N GLY A 34 -19.128 -5.588 7.581 1.00 0.00 N ATOM 487 CA GLY A 34 -18.349 -6.149 8.670 1.00 0.00 C ATOM 488 C GLY A 34 -18.048 -7.621 8.470 1.00 0.00 C ATOM 489 O GLY A 34 -17.739 -8.334 9.427 1.00 0.00 O ATOM 0 H GLY A 34 -18.630 -5.510 6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.412 -5.599 8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.891 -6.016 9.606 1.00 0.00 H new ATOM 493 N ASP A 35 -18.136 -8.080 7.227 1.00 0.00 N ATOM 494 CA ASP A 35 -17.869 -9.477 6.907 1.00 0.00 C ATOM 495 C ASP A 35 -16.400 -9.688 6.553 1.00 0.00 C ATOM 496 O ASP A 35 -15.897 -10.811 6.597 1.00 0.00 O ATOM 497 CB ASP A 35 -18.756 -9.936 5.749 1.00 0.00 C ATOM 498 CG ASP A 35 -20.231 -9.891 6.097 1.00 0.00 C ATOM 499 OD1 ASP A 35 -20.661 -10.683 6.962 1.00 0.00 O ATOM 500 OD2 ASP A 35 -20.956 -9.064 5.504 1.00 0.00 O ATOM 0 H ASP A 35 -18.390 -7.505 6.424 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.098 -10.073 7.790 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.571 -9.304 4.881 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.483 -10.953 5.467 1.00 0.00 H new ATOM 505 N LYS A 36 -15.716 -8.604 6.202 1.00 0.00 N ATOM 506 CA LYS A 36 -14.304 -8.677 5.841 1.00 0.00 C ATOM 507 C LYS A 36 -13.503 -7.580 6.529 1.00 0.00 C ATOM 508 O LYS A 36 -13.967 -6.448 6.663 1.00 0.00 O ATOM 509 CB LYS A 36 -14.139 -8.575 4.323 1.00 0.00 C ATOM 510 CG LYS A 36 -14.923 -9.626 3.554 1.00 0.00 C ATOM 511 CD LYS A 36 -14.156 -10.112 2.334 1.00 0.00 C ATOM 512 CE LYS A 36 -14.326 -11.609 2.130 1.00 0.00 C ATOM 513 NZ LYS A 36 -13.191 -12.196 1.365 1.00 0.00 N ATOM 0 H LYS A 36 -16.115 -7.666 6.160 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.920 -9.640 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.458 -7.585 3.997 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.082 -8.668 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.140 -10.470 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.881 -9.210 3.241 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.505 -9.581 1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.098 -9.877 2.451 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.404 -12.101 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.259 -11.800 1.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.344 -13.218 1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.132 -11.744 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.304 -12.036 1.883 1.00 0.00 H new ATOM 527 N VAL A 37 -12.296 -7.925 6.967 1.00 0.00 N ATOM 528 CA VAL A 37 -11.429 -6.972 7.646 1.00 0.00 C ATOM 529 C VAL A 37 -9.963 -7.199 7.275 1.00 0.00 C ATOM 530 O VAL A 37 -9.580 -8.291 6.856 1.00 0.00 O ATOM 531 CB VAL A 37 -11.614 -7.053 9.181 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.447 -7.765 9.857 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.808 -5.663 9.764 1.00 0.00 C ATOM 0 H VAL A 37 -11.897 -8.858 6.863 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.714 -5.973 7.316 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.509 -7.644 9.376 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.616 -7.800 10.933 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.366 -8.780 9.469 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.523 -7.224 9.653 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.937 -5.736 10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.934 -5.051 9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.693 -5.204 9.323 1.00 0.00 H new ATOM 543 N HIS A 38 -9.149 -6.159 7.436 1.00 0.00 N ATOM 544 CA HIS A 38 -7.725 -6.243 7.123 1.00 0.00 C ATOM 545 C HIS A 38 -6.944 -5.173 7.879 1.00 0.00 C ATOM 546 O HIS A 38 -7.452 -4.080 8.123 1.00 0.00 O ATOM 547 CB HIS A 38 -7.498 -6.089 5.617 1.00 0.00 C ATOM 548 CG HIS A 38 -6.238 -6.735 5.133 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.138 -8.085 4.868 1.00 0.00 N ATOM 550 CD2 HIS A 38 -5.019 -6.210 4.864 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.913 -8.361 4.459 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.215 -7.241 4.447 1.00 0.00 N ATOM 0 H HIS A 38 -9.451 -5.248 7.781 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.366 -7.224 7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.346 -6.520 5.084 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.471 -5.028 5.368 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -6.892 -8.764 4.972 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.733 -5.173 4.960 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.545 -9.338 4.181 1.00 0.00 H new ATOM 561 N THR A 39 -5.710 -5.494 8.256 1.00 0.00 N ATOM 562 CA THR A 39 -4.871 -4.554 8.992 1.00 0.00 C ATOM 563 C THR A 39 -3.512 -4.379 8.319 1.00 0.00 C ATOM 564 O THR A 39 -2.896 -5.348 7.877 1.00 0.00 O ATOM 565 CB THR A 39 -4.679 -5.032 10.432 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.866 -5.627 10.925 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.293 -3.922 11.384 1.00 0.00 C ATOM 0 H THR A 39 -5.270 -6.394 8.065 1.00 0.00 H new ATOM 0 HA THR A 39 -5.376 -3.588 8.996 1.00 0.00 H new ATOM 0 HB THR A 39 -3.863 -5.754 10.391 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.723 -5.928 11.847 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.173 -4.329 12.388 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.354 -3.474 11.059 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.074 -3.162 11.392 1.00 0.00 H new ATOM 575 N VAL A 40 -3.050 -3.133 8.254 1.00 0.00 N ATOM 576 CA VAL A 40 -1.762 -2.820 7.646 1.00 0.00 C ATOM 577 C VAL A 40 -0.962 -1.897 8.536 1.00 0.00 C ATOM 578 O VAL A 40 -1.461 -0.878 8.996 1.00 0.00 O ATOM 579 CB VAL A 40 -1.928 -2.153 6.269 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.755 -1.236 5.936 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.088 -3.216 5.207 1.00 0.00 C ATOM 0 H VAL A 40 -3.551 -2.322 8.617 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.235 -3.766 7.519 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.823 -1.531 6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.912 -0.786 4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.682 -0.451 6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.168 -1.815 5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.205 -2.742 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.205 -3.855 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.969 -3.819 5.426 1.00 0.00 H new ATOM 591 N VAL A 41 0.284 -2.246 8.765 1.00 0.00 N ATOM 592 CA VAL A 41 1.134 -1.410 9.593 1.00 0.00 C ATOM 593 C VAL A 41 2.064 -0.554 8.741 1.00 0.00 C ATOM 594 O VAL A 41 3.014 -1.054 8.140 1.00 0.00 O ATOM 595 CB VAL A 41 1.936 -2.234 10.619 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.918 -1.351 11.380 1.00 0.00 C ATOM 597 CG2 VAL A 41 0.982 -2.921 11.580 1.00 0.00 C ATOM 0 H VAL A 41 0.729 -3.088 8.398 1.00 0.00 H new ATOM 0 HA VAL A 41 0.475 -0.746 10.153 1.00 0.00 H new ATOM 0 HB VAL A 41 2.512 -2.990 10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.471 -1.957 12.098 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.615 -0.893 10.678 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.371 -0.571 11.909 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.552 -3.503 12.304 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.389 -2.170 12.103 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.319 -3.583 11.023 1.00 0.00 H new ATOM 607 N LEU A 42 1.770 0.740 8.695 1.00 0.00 N ATOM 608 CA LEU A 42 2.561 1.687 7.918 1.00 0.00 C ATOM 609 C LEU A 42 4.042 1.613 8.288 1.00 0.00 C ATOM 610 O LEU A 42 4.906 1.986 7.493 1.00 0.00 O ATOM 611 CB LEU A 42 2.034 3.109 8.131 1.00 0.00 C ATOM 612 CG LEU A 42 0.722 3.433 7.410 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.835 3.103 5.930 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.442 2.677 8.041 1.00 0.00 C ATOM 0 H LEU A 42 0.984 1.160 9.191 1.00 0.00 H new ATOM 0 HA LEU A 42 2.466 1.421 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.892 3.271 9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.796 3.815 7.800 1.00 0.00 H new ATOM 0 HG LEU A 42 0.529 4.501 7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.105 3.339 5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.638 3.691 5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.053 2.042 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.364 2.922 7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.259 1.605 7.973 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.537 2.963 9.089 1.00 0.00 H new ATOM 626 N SER A 43 4.333 1.133 9.494 1.00 0.00 N ATOM 627 CA SER A 43 5.713 1.016 9.956 1.00 0.00 C ATOM 628 C SER A 43 6.489 0.008 9.114 1.00 0.00 C ATOM 629 O SER A 43 7.698 0.135 8.929 1.00 0.00 O ATOM 630 CB SER A 43 5.750 0.615 11.434 1.00 0.00 C ATOM 631 OG SER A 43 5.914 -0.785 11.587 1.00 0.00 O ATOM 0 H SER A 43 3.634 0.820 10.167 1.00 0.00 H new ATOM 0 HA SER A 43 6.190 1.990 9.845 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.568 1.135 11.933 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.827 0.930 11.921 1.00 0.00 H new ATOM 0 HG SER A 43 5.936 -1.010 12.541 1.00 0.00 H new ATOM 637 N THR A 44 5.779 -0.988 8.603 1.00 0.00 N ATOM 638 CA THR A 44 6.392 -2.021 7.772 1.00 0.00 C ATOM 639 C THR A 44 6.294 -1.650 6.304 1.00 0.00 C ATOM 640 O THR A 44 7.173 -1.967 5.505 1.00 0.00 O ATOM 641 CB THR A 44 5.717 -3.377 8.004 1.00 0.00 C ATOM 642 OG1 THR A 44 4.588 -3.527 7.161 1.00 0.00 O ATOM 643 CG2 THR A 44 5.250 -3.578 9.427 1.00 0.00 C ATOM 0 H THR A 44 4.776 -1.105 8.748 1.00 0.00 H new ATOM 0 HA THR A 44 7.442 -2.097 8.053 1.00 0.00 H new ATOM 0 HB THR A 44 6.482 -4.120 7.779 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.951 -2.804 7.336 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.782 -4.558 9.521 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.104 -3.517 10.102 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.527 -2.804 9.686 1.00 0.00 H new ATOM 651 N ILE A 45 5.204 -0.981 5.962 1.00 0.00 N ATOM 652 CA ILE A 45 4.958 -0.561 4.589 1.00 0.00 C ATOM 653 C ILE A 45 6.199 0.080 3.971 1.00 0.00 C ATOM 654 O ILE A 45 6.597 1.182 4.349 1.00 0.00 O ATOM 655 CB ILE A 45 3.770 0.422 4.503 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.493 -0.246 5.019 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.573 0.910 3.074 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.223 -1.599 4.395 1.00 0.00 C ATOM 0 H ILE A 45 4.471 -0.715 6.620 1.00 0.00 H new ATOM 0 HA ILE A 45 4.710 -1.460 4.025 1.00 0.00 H new ATOM 0 HB ILE A 45 3.993 1.286 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.565 -0.362 6.100 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.645 0.411 4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.731 1.601 3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.475 1.420 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.372 0.059 2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.303 -2.013 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.119 -1.488 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.053 -2.272 4.612 1.00 0.00 H new ATOM 670 N ASP A 46 6.802 -0.624 3.020 1.00 0.00 N ATOM 671 CA ASP A 46 7.998 -0.134 2.345 1.00 0.00 C ATOM 672 C ASP A 46 7.683 1.091 1.496 1.00 0.00 C ATOM 673 O ASP A 46 8.530 1.970 1.325 1.00 0.00 O ATOM 674 CB ASP A 46 8.601 -1.234 1.469 1.00 0.00 C ATOM 675 CG ASP A 46 10.077 -1.015 1.202 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.741 -0.365 2.036 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.569 -1.495 0.159 1.00 0.00 O ATOM 0 H ASP A 46 6.482 -1.537 2.699 1.00 0.00 H new ATOM 0 HA ASP A 46 8.722 0.153 3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.462 -2.199 1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.065 -1.275 0.521 1.00 0.00 H new ATOM 682 N LYS A 47 6.467 1.149 0.963 1.00 0.00 N ATOM 683 CA LYS A 47 6.059 2.274 0.132 1.00 0.00 C ATOM 684 C LYS A 47 4.576 2.199 -0.208 1.00 0.00 C ATOM 685 O LYS A 47 3.931 1.169 -0.012 1.00 0.00 O ATOM 686 CB LYS A 47 6.884 2.309 -1.156 1.00 0.00 C ATOM 687 CG LYS A 47 7.011 0.958 -1.837 1.00 0.00 C ATOM 688 CD LYS A 47 8.283 0.868 -2.663 1.00 0.00 C ATOM 689 CE LYS A 47 9.442 0.322 -1.845 1.00 0.00 C ATOM 690 NZ LYS A 47 10.321 -0.570 -2.652 1.00 0.00 N ATOM 0 H LYS A 47 5.751 0.434 1.091 1.00 0.00 H new ATOM 0 HA LYS A 47 6.236 3.188 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.427 3.014 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.881 2.686 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.008 0.169 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.146 0.790 -2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.112 0.226 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.540 1.856 -3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.030 1.151 -1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.054 -0.229 -0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.852 -1.200 -2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.738 -1.140 -3.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.987 0.007 -3.205 1.00 0.00 H new ATOM 704 N LEU A 48 4.046 3.300 -0.725 1.00 0.00 N ATOM 705 CA LEU A 48 2.643 3.375 -1.105 1.00 0.00 C ATOM 706 C LEU A 48 2.509 3.408 -2.624 1.00 0.00 C ATOM 707 O LEU A 48 3.475 3.691 -3.332 1.00 0.00 O ATOM 708 CB LEU A 48 1.998 4.624 -0.498 1.00 0.00 C ATOM 709 CG LEU A 48 0.736 4.368 0.323 1.00 0.00 C ATOM 710 CD1 LEU A 48 1.101 3.987 1.749 1.00 0.00 C ATOM 711 CD2 LEU A 48 -0.163 5.595 0.309 1.00 0.00 C ATOM 0 H LEU A 48 4.572 4.158 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 48 2.131 2.491 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.732 5.120 0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.754 5.316 -1.304 1.00 0.00 H new ATOM 0 HG LEU A 48 0.191 3.538 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.191 3.808 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.708 3.082 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.666 4.798 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.058 5.397 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.372 6.443 0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.448 5.825 -0.717 1.00 0.00 H new ATOM 723 N GLN A 49 1.312 3.122 -3.122 1.00 0.00 N ATOM 724 CA GLN A 49 1.070 3.128 -4.559 1.00 0.00 C ATOM 725 C GLN A 49 -0.341 3.610 -4.874 1.00 0.00 C ATOM 726 O GLN A 49 -1.314 3.146 -4.279 1.00 0.00 O ATOM 727 CB GLN A 49 1.291 1.732 -5.141 1.00 0.00 C ATOM 728 CG GLN A 49 2.697 1.510 -5.673 1.00 0.00 C ATOM 729 CD GLN A 49 3.061 0.041 -5.765 1.00 0.00 C ATOM 730 OE1 GLN A 49 3.438 -0.452 -6.829 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.948 -0.668 -4.648 1.00 0.00 N ATOM 0 H GLN A 49 0.498 2.884 -2.555 1.00 0.00 H new ATOM 0 HA GLN A 49 1.777 3.819 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.081 0.989 -4.371 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.576 1.566 -5.947 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.784 1.964 -6.660 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.411 2.017 -5.024 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.632 -0.219 -3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.177 -1.662 -4.649 1.00 0.00 H new ATOM 740 N ALA A 50 -0.443 4.545 -5.814 1.00 0.00 N ATOM 741 CA ALA A 50 -1.734 5.093 -6.211 1.00 0.00 C ATOM 742 C ALA A 50 -1.806 5.288 -7.721 1.00 0.00 C ATOM 743 O ALA A 50 -0.827 5.685 -8.353 1.00 0.00 O ATOM 744 CB ALA A 50 -1.990 6.410 -5.493 1.00 0.00 C ATOM 0 H ALA A 50 0.354 4.939 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.508 4.380 -5.926 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.957 6.809 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.990 6.243 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.206 7.123 -5.750 1.00 0.00 H new ATOM 750 N THR A 51 -2.972 5.007 -8.293 1.00 0.00 N ATOM 751 CA THR A 51 -3.174 5.152 -9.730 1.00 0.00 C ATOM 752 C THR A 51 -3.569 6.580 -10.087 1.00 0.00 C ATOM 753 O THR A 51 -4.732 6.964 -9.965 1.00 0.00 O ATOM 754 CB THR A 51 -4.248 4.178 -10.215 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.402 4.258 -9.397 1.00 0.00 O ATOM 756 CG2 THR A 51 -3.790 2.736 -10.222 1.00 0.00 C ATOM 0 H THR A 51 -3.792 4.677 -7.783 1.00 0.00 H new ATOM 0 HA THR A 51 -2.231 4.922 -10.227 1.00 0.00 H new ATOM 0 HB THR A 51 -4.468 4.477 -11.240 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.593 5.197 -9.192 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.600 2.099 -10.577 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.930 2.631 -10.883 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.510 2.438 -9.212 1.00 0.00 H new ATOM 764 N PRO A 52 -2.598 7.382 -10.552 1.00 0.00 N ATOM 765 CA PRO A 52 -2.824 8.772 -10.956 1.00 0.00 C ATOM 766 C PRO A 52 -4.042 8.923 -11.860 1.00 0.00 C ATOM 767 O PRO A 52 -4.534 7.945 -12.421 1.00 0.00 O ATOM 768 CB PRO A 52 -1.543 9.135 -11.723 1.00 0.00 C ATOM 769 CG PRO A 52 -0.843 7.836 -11.932 1.00 0.00 C ATOM 770 CD PRO A 52 -1.198 7.006 -10.750 1.00 0.00 C ATOM 0 HA PRO A 52 -3.022 9.416 -10.099 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.774 9.617 -12.673 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.925 9.830 -11.155 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.165 7.360 -12.858 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.235 7.977 -12.004 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.081 5.940 -10.945 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.582 7.240 -9.882 1.00 0.00 H new ATOM 778 N ALA A 53 -4.518 10.154 -12.002 1.00 0.00 N ATOM 779 CA ALA A 53 -5.674 10.436 -12.845 1.00 0.00 C ATOM 780 C ALA A 53 -5.481 9.894 -14.261 1.00 0.00 C ATOM 781 O ALA A 53 -6.448 9.721 -15.002 1.00 0.00 O ATOM 782 CB ALA A 53 -5.943 11.932 -12.884 1.00 0.00 C ATOM 0 H ALA A 53 -4.121 10.974 -11.544 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.536 9.930 -12.411 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.808 12.130 -13.517 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.141 12.292 -11.875 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.072 12.448 -13.289 1.00 0.00 H new ATOM 788 N SER A 54 -4.228 9.630 -14.636 1.00 0.00 N ATOM 789 CA SER A 54 -3.927 9.111 -15.966 1.00 0.00 C ATOM 790 C SER A 54 -4.387 7.663 -16.108 1.00 0.00 C ATOM 791 O SER A 54 -4.578 7.169 -17.220 1.00 0.00 O ATOM 792 CB SER A 54 -2.427 9.211 -16.247 1.00 0.00 C ATOM 793 OG SER A 54 -2.107 10.438 -16.881 1.00 0.00 O ATOM 0 H SER A 54 -3.412 9.767 -14.040 1.00 0.00 H new ATOM 0 HA SER A 54 -4.469 9.716 -16.693 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.872 9.126 -15.313 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.116 8.379 -16.879 1.00 0.00 H new ATOM 0 HG SER A 54 -1.142 10.478 -17.048 1.00 0.00 H new ATOM 799 N SER A 55 -4.566 6.987 -14.979 1.00 0.00 N ATOM 800 CA SER A 55 -5.005 5.596 -14.979 1.00 0.00 C ATOM 801 C SER A 55 -6.522 5.506 -14.860 1.00 0.00 C ATOM 802 O SER A 55 -7.103 5.945 -13.867 1.00 0.00 O ATOM 803 CB SER A 55 -4.344 4.831 -13.833 1.00 0.00 C ATOM 804 OG SER A 55 -3.137 4.220 -14.255 1.00 0.00 O ATOM 0 H SER A 55 -4.414 7.380 -14.050 1.00 0.00 H new ATOM 0 HA SER A 55 -4.706 5.146 -15.925 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.141 5.512 -13.007 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.028 4.070 -13.458 1.00 0.00 H new ATOM 0 HG SER A 55 -2.931 3.463 -13.668 1.00 0.00 H new ATOM 810 N GLU A 56 -7.159 4.934 -15.876 1.00 0.00 N ATOM 811 CA GLU A 56 -8.610 4.787 -15.885 1.00 0.00 C ATOM 812 C GLU A 56 -9.085 3.961 -14.694 1.00 0.00 C ATOM 813 O GLU A 56 -10.234 4.073 -14.265 1.00 0.00 O ATOM 814 CB GLU A 56 -9.072 4.136 -17.189 1.00 0.00 C ATOM 815 CG GLU A 56 -10.582 4.010 -17.306 1.00 0.00 C ATOM 816 CD GLU A 56 -11.020 3.475 -18.655 1.00 0.00 C ATOM 817 OE1 GLU A 56 -10.897 2.252 -18.877 1.00 0.00 O ATOM 818 OE2 GLU A 56 -11.487 4.278 -19.489 1.00 0.00 O ATOM 0 H GLU A 56 -6.693 4.564 -16.705 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.048 5.782 -15.809 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.699 4.721 -18.029 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.626 3.145 -17.268 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.950 3.350 -16.521 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.038 4.986 -17.141 1.00 0.00 H new ATOM 825 N LYS A 57 -8.194 3.131 -14.165 1.00 0.00 N ATOM 826 CA LYS A 57 -8.521 2.284 -13.022 1.00 0.00 C ATOM 827 C LYS A 57 -7.987 2.890 -11.729 1.00 0.00 C ATOM 828 O LYS A 57 -6.777 3.017 -11.544 1.00 0.00 O ATOM 829 CB LYS A 57 -7.945 0.877 -13.216 1.00 0.00 C ATOM 830 CG LYS A 57 -7.970 0.393 -14.658 1.00 0.00 C ATOM 831 CD LYS A 57 -9.352 0.544 -15.275 1.00 0.00 C ATOM 832 CE LYS A 57 -10.392 -0.266 -14.517 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.167 -1.731 -14.660 1.00 0.00 N ATOM 0 H LYS A 57 -7.239 3.026 -14.508 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.607 2.216 -12.952 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.916 0.864 -12.857 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.507 0.177 -12.598 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.245 0.958 -15.245 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.666 -0.653 -14.697 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.638 1.596 -15.276 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.325 0.220 -16.315 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.364 0.004 -13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.387 -0.014 -14.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.961 -2.248 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.101 -1.975 -15.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.282 -1.995 -14.181 1.00 0.00 H new ATOM 847 N MET A 58 -8.898 3.264 -10.835 1.00 0.00 N ATOM 848 CA MET A 58 -8.516 3.857 -9.559 1.00 0.00 C ATOM 849 C MET A 58 -8.258 2.777 -8.513 1.00 0.00 C ATOM 850 O MET A 58 -9.192 2.159 -8.002 1.00 0.00 O ATOM 851 CB MET A 58 -9.609 4.808 -9.067 1.00 0.00 C ATOM 852 CG MET A 58 -10.179 5.698 -10.159 1.00 0.00 C ATOM 853 SD MET A 58 -10.610 7.343 -9.559 1.00 0.00 S ATOM 854 CE MET A 58 -9.027 7.897 -8.928 1.00 0.00 C ATOM 0 H MET A 58 -9.904 3.167 -10.971 1.00 0.00 H new ATOM 0 HA MET A 58 -7.595 4.420 -9.710 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.417 4.223 -8.628 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.203 5.436 -8.274 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.451 5.789 -10.965 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.066 5.226 -10.582 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.836 8.915 -9.268 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.042 7.875 -7.838 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.239 7.238 -9.293 1.00 0.00 H new ATOM 864 N MET A 59 -6.985 2.554 -8.200 1.00 0.00 N ATOM 865 CA MET A 59 -6.604 1.548 -7.214 1.00 0.00 C ATOM 866 C MET A 59 -5.267 1.897 -6.569 1.00 0.00 C ATOM 867 O MET A 59 -4.340 2.344 -7.244 1.00 0.00 O ATOM 868 CB MET A 59 -6.515 0.160 -7.861 1.00 0.00 C ATOM 869 CG MET A 59 -7.496 -0.057 -9.002 1.00 0.00 C ATOM 870 SD MET A 59 -7.188 -1.592 -9.897 1.00 0.00 S ATOM 871 CE MET A 59 -5.450 -1.410 -10.293 1.00 0.00 C ATOM 0 H MET A 59 -6.200 3.056 -8.615 1.00 0.00 H new ATOM 0 HA MET A 59 -7.374 1.533 -6.443 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.502 0.009 -8.233 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.690 -0.597 -7.097 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.512 -0.069 -8.606 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.434 0.782 -9.695 1.00 0.00 H new ATOM 0 HE1 MET A 59 -5.132 -2.240 -10.924 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.294 -0.470 -10.823 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.865 -1.409 -9.373 1.00 0.00 H new ATOM 881 N LEU A 60 -5.171 1.681 -5.261 1.00 0.00 N ATOM 882 CA LEU A 60 -3.943 1.966 -4.528 1.00 0.00 C ATOM 883 C LEU A 60 -3.298 0.674 -4.034 1.00 0.00 C ATOM 884 O LEU A 60 -3.989 -0.251 -3.609 1.00 0.00 O ATOM 885 CB LEU A 60 -4.231 2.891 -3.343 1.00 0.00 C ATOM 886 CG LEU A 60 -4.029 4.382 -3.618 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.025 4.875 -4.655 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.159 5.181 -2.329 1.00 0.00 C ATOM 0 H LEU A 60 -5.928 1.310 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.251 2.465 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.260 2.733 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.589 2.601 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.024 4.527 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.865 5.938 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.886 4.323 -5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.039 4.718 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.013 6.240 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.152 5.029 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.406 4.846 -1.616 1.00 0.00 H new ATOM 900 N ARG A 61 -1.970 0.616 -4.091 1.00 0.00 N ATOM 901 CA ARG A 61 -1.239 -0.565 -3.647 1.00 0.00 C ATOM 902 C ARG A 61 -0.391 -0.247 -2.421 1.00 0.00 C ATOM 903 O ARG A 61 0.032 0.892 -2.224 1.00 0.00 O ATOM 904 CB ARG A 61 -0.360 -1.106 -4.775 1.00 0.00 C ATOM 905 CG ARG A 61 -1.067 -2.117 -5.662 1.00 0.00 C ATOM 906 CD ARG A 61 -0.417 -3.490 -5.577 1.00 0.00 C ATOM 907 NE ARG A 61 -0.413 -4.174 -6.868 1.00 0.00 N ATOM 908 CZ ARG A 61 0.374 -5.207 -7.157 1.00 0.00 C ATOM 909 NH1 ARG A 61 1.222 -5.678 -6.250 1.00 0.00 N ATOM 910 NH2 ARG A 61 0.314 -5.772 -8.355 1.00 0.00 N ATOM 0 H ARG A 61 -1.380 1.372 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.965 -1.331 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.017 -0.273 -5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.527 -1.570 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.114 -2.191 -5.367 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.050 -1.770 -6.695 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.607 -3.385 -5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.949 -4.099 -4.846 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.051 -3.840 -7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.272 -5.248 -5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.823 -6.470 -6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.336 -5.415 -9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.918 -6.564 -8.576 1.00 0.00 H new ATOM 924 N LEU A 62 -0.162 -1.260 -1.593 1.00 0.00 N ATOM 925 CA LEU A 62 0.619 -1.089 -0.375 1.00 0.00 C ATOM 926 C LEU A 62 1.741 -2.117 -0.281 1.00 0.00 C ATOM 927 O LEU A 62 1.491 -3.321 -0.226 1.00 0.00 O ATOM 928 CB LEU A 62 -0.299 -1.212 0.842 1.00 0.00 C ATOM 929 CG LEU A 62 -0.020 -0.251 2.008 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.808 0.946 1.574 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.328 0.216 2.615 1.00 0.00 C ATOM 0 H LEU A 62 -0.506 -2.208 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 62 1.074 -0.099 -0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.326 -1.059 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.233 -2.233 1.218 1.00 0.00 H new ATOM 0 HG LEU A 62 0.558 -0.796 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.981 1.598 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.765 0.603 1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.273 1.497 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.123 0.897 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.917 0.732 1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.886 -0.645 2.984 1.00 0.00 H new ATOM 943 N ILE A 63 2.979 -1.634 -0.248 1.00 0.00 N ATOM 944 CA ILE A 63 4.138 -2.510 -0.140 1.00 0.00 C ATOM 945 C ILE A 63 4.448 -2.797 1.323 1.00 0.00 C ATOM 946 O ILE A 63 4.072 -2.026 2.201 1.00 0.00 O ATOM 947 CB ILE A 63 5.382 -1.889 -0.808 1.00 0.00 C ATOM 948 CG1 ILE A 63 5.093 -1.567 -2.273 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.574 -2.830 -0.695 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.739 -2.783 -3.096 1.00 0.00 C ATOM 0 H ILE A 63 3.204 -0.640 -0.295 1.00 0.00 H new ATOM 0 HA ILE A 63 3.894 -3.438 -0.656 1.00 0.00 H new ATOM 0 HB ILE A 63 5.626 -0.961 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.273 -0.851 -2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.967 -1.083 -2.710 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.443 -2.376 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.793 -3.016 0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.341 -3.773 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.546 -2.482 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.568 -3.491 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.848 -3.255 -2.683 1.00 0.00 H new ATOM 962 N GLY A 64 5.131 -3.906 1.581 1.00 0.00 N ATOM 963 CA GLY A 64 5.473 -4.262 2.949 1.00 0.00 C ATOM 964 C GLY A 64 6.963 -4.462 3.139 1.00 0.00 C ATOM 965 O GLY A 64 7.742 -4.276 2.205 1.00 0.00 O ATOM 0 H GLY A 64 5.454 -4.564 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.126 -3.479 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.948 -5.177 3.225 1.00 0.00 H new ATOM 969 N LYS A 65 7.366 -4.837 4.349 1.00 0.00 N ATOM 970 CA LYS A 65 8.776 -5.058 4.639 1.00 0.00 C ATOM 971 C LYS A 65 9.145 -6.528 4.469 1.00 0.00 C ATOM 972 O LYS A 65 8.436 -7.417 4.940 1.00 0.00 O ATOM 973 CB LYS A 65 9.109 -4.596 6.060 1.00 0.00 C ATOM 974 CG LYS A 65 10.289 -3.639 6.127 1.00 0.00 C ATOM 975 CD LYS A 65 10.114 -2.462 5.179 1.00 0.00 C ATOM 976 CE LYS A 65 10.171 -1.133 5.917 1.00 0.00 C ATOM 977 NZ LYS A 65 9.117 -0.190 5.451 1.00 0.00 N ATOM 0 H LYS A 65 6.740 -4.993 5.139 1.00 0.00 H new ATOM 0 HA LYS A 65 9.360 -4.472 3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.233 -4.110 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.324 -5.469 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.402 -3.271 7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.206 -4.174 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.893 -2.489 4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.159 -2.550 4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.054 -1.307 6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.152 -0.680 5.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.793 0.391 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.506 0.427 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.314 -0.729 5.067 1.00 0.00 H new ATOM 991 N VAL A 66 10.266 -6.772 3.799 1.00 0.00 N ATOM 992 CA VAL A 66 10.743 -8.133 3.570 1.00 0.00 C ATOM 993 C VAL A 66 11.686 -8.568 4.678 1.00 0.00 C ATOM 994 O VAL A 66 12.151 -9.707 4.735 1.00 0.00 O ATOM 995 CB VAL A 66 11.431 -8.236 2.196 1.00 0.00 C ATOM 996 CG1 VAL A 66 12.782 -8.941 2.269 1.00 0.00 C ATOM 997 CG2 VAL A 66 10.521 -8.922 1.188 1.00 0.00 C ATOM 0 H VAL A 66 10.863 -6.045 3.404 1.00 0.00 H new ATOM 0 HA VAL A 66 9.884 -8.804 3.577 1.00 0.00 H new ATOM 0 HB VAL A 66 11.623 -7.216 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.223 -8.986 1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.445 -8.389 2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.644 -9.953 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.027 -8.984 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.282 -9.926 1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.601 -8.348 1.078 1.00 0.00 H new ATOM 1007 N ASP A 67 11.938 -7.627 5.549 1.00 0.00 N ATOM 1008 CA ASP A 67 12.813 -7.813 6.708 1.00 0.00 C ATOM 1009 C ASP A 67 14.279 -7.680 6.325 1.00 0.00 C ATOM 1010 O ASP A 67 14.617 -7.404 5.174 1.00 0.00 O ATOM 1011 CB ASP A 67 12.593 -9.182 7.364 1.00 0.00 C ATOM 1012 CG ASP A 67 12.263 -9.071 8.840 1.00 0.00 C ATOM 1013 OD1 ASP A 67 13.109 -8.553 9.599 1.00 0.00 O ATOM 1014 OD2 ASP A 67 11.160 -9.501 9.237 1.00 0.00 O ATOM 0 H ASP A 67 11.541 -6.690 5.484 1.00 0.00 H new ATOM 0 HA ASP A 67 12.555 -7.029 7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.783 -9.701 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.490 -9.789 7.240 1.00 0.00 H new ATOM 1019 N GLU A 68 15.140 -7.900 7.309 1.00 0.00 N ATOM 1020 CA GLU A 68 16.578 -7.837 7.109 1.00 0.00 C ATOM 1021 C GLU A 68 17.226 -9.117 7.624 1.00 0.00 C ATOM 1022 O GLU A 68 18.382 -9.115 8.047 1.00 0.00 O ATOM 1023 CB GLU A 68 17.166 -6.622 7.829 1.00 0.00 C ATOM 1024 CG GLU A 68 17.015 -5.323 7.054 1.00 0.00 C ATOM 1025 CD GLU A 68 18.169 -4.367 7.287 1.00 0.00 C ATOM 1026 OE1 GLU A 68 18.516 -4.132 8.464 1.00 0.00 O ATOM 1027 OE2 GLU A 68 18.725 -3.854 6.293 1.00 0.00 O ATOM 0 H GLU A 68 14.861 -8.126 8.264 1.00 0.00 H new ATOM 0 HA GLU A 68 16.781 -7.737 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.681 -6.515 8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.224 -6.800 8.020 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.942 -5.546 5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.082 -4.838 7.343 1.00 0.00 H new ATOM 1034 N SER A 69 16.466 -10.211 7.584 1.00 0.00 N ATOM 1035 CA SER A 69 16.951 -11.506 8.044 1.00 0.00 C ATOM 1036 C SER A 69 17.695 -12.234 6.929 1.00 0.00 C ATOM 1037 O SER A 69 17.524 -13.438 6.734 1.00 0.00 O ATOM 1038 CB SER A 69 15.787 -12.364 8.543 1.00 0.00 C ATOM 1039 OG SER A 69 14.746 -12.419 7.583 1.00 0.00 O ATOM 0 H SER A 69 15.508 -10.223 7.235 1.00 0.00 H new ATOM 0 HA SER A 69 17.644 -11.335 8.868 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.141 -13.372 8.759 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.403 -11.954 9.477 1.00 0.00 H new ATOM 0 HG SER A 69 14.015 -12.975 7.925 1.00 0.00 H new ATOM 1045 N LYS A 70 18.518 -11.487 6.200 1.00 0.00 N ATOM 1046 CA LYS A 70 19.303 -12.033 5.096 1.00 0.00 C ATOM 1047 C LYS A 70 18.424 -12.300 3.880 1.00 0.00 C ATOM 1048 O LYS A 70 17.608 -13.223 3.877 1.00 0.00 O ATOM 1049 CB LYS A 70 20.034 -13.312 5.518 1.00 0.00 C ATOM 1050 CG LYS A 70 21.529 -13.117 5.699 1.00 0.00 C ATOM 1051 CD LYS A 70 22.288 -13.413 4.415 1.00 0.00 C ATOM 1052 CE LYS A 70 23.467 -12.470 4.235 1.00 0.00 C ATOM 1053 NZ LYS A 70 23.026 -11.080 3.935 1.00 0.00 N ATOM 0 H LYS A 70 18.660 -10.489 6.356 1.00 0.00 H new ATOM 0 HA LYS A 70 20.050 -11.288 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.606 -13.675 6.452 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.863 -14.084 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.728 -12.092 6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 70 21.889 -13.770 6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.644 -14.443 4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.614 -13.321 3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 70 24.074 -12.471 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.101 -12.832 3.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.808 -10.555 3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.216 -11.106 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.746 -10.607 4.818 1.00 0.00 H new ATOM 1067 N LYS A 71 18.596 -11.479 2.851 1.00 0.00 N ATOM 1068 CA LYS A 71 17.823 -11.608 1.623 1.00 0.00 C ATOM 1069 C LYS A 71 18.423 -12.667 0.705 1.00 0.00 C ATOM 1070 O LYS A 71 19.312 -13.420 1.104 1.00 0.00 O ATOM 1071 CB LYS A 71 17.765 -10.263 0.898 1.00 0.00 C ATOM 1072 CG LYS A 71 17.462 -9.091 1.819 1.00 0.00 C ATOM 1073 CD LYS A 71 16.164 -9.301 2.584 1.00 0.00 C ATOM 1074 CE LYS A 71 16.421 -9.774 4.007 1.00 0.00 C ATOM 1075 NZ LYS A 71 15.723 -11.056 4.301 1.00 0.00 N ATOM 0 H LYS A 71 19.269 -10.712 2.844 1.00 0.00 H new ATOM 0 HA LYS A 71 16.813 -11.920 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 71 18.718 -10.086 0.399 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.003 -10.311 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.283 -8.960 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.395 -8.175 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.600 -8.369 2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.548 -10.034 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.493 -9.901 4.159 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.088 -9.010 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.839 -11.292 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.711 -10.958 4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.131 -11.815 3.718 1.00 0.00 H new ATOM 1089 N ARG A 72 17.931 -12.718 -0.529 1.00 0.00 N ATOM 1090 CA ARG A 72 18.415 -13.681 -1.510 1.00 0.00 C ATOM 1091 C ARG A 72 18.983 -12.966 -2.733 1.00 0.00 C ATOM 1092 O ARG A 72 19.125 -11.744 -2.737 1.00 0.00 O ATOM 1093 CB ARG A 72 17.283 -14.621 -1.931 1.00 0.00 C ATOM 1094 CG ARG A 72 16.123 -13.909 -2.612 1.00 0.00 C ATOM 1095 CD ARG A 72 15.921 -14.398 -4.038 1.00 0.00 C ATOM 1096 NE ARG A 72 14.727 -15.229 -4.167 1.00 0.00 N ATOM 1097 CZ ARG A 72 13.484 -14.763 -4.063 1.00 0.00 C ATOM 1098 NH1 ARG A 72 13.269 -13.475 -3.827 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.453 -15.587 -4.195 1.00 0.00 N ATOM 0 H ARG A 72 17.195 -12.101 -0.873 1.00 0.00 H new ATOM 0 HA ARG A 72 19.211 -14.267 -1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.682 -15.377 -2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.911 -15.145 -1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.210 -14.071 -2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.309 -12.835 -2.619 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.841 -13.541 -4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.795 -14.968 -4.353 1.00 0.00 H new ATOM 0 HE ARG A 72 14.853 -16.225 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.058 -12.837 -3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.315 -13.123 -3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.612 -16.578 -4.376 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.501 -15.230 -4.115 1.00 0.00 H new ATOM 1113 N LYS A 73 19.305 -13.734 -3.768 1.00 0.00 N ATOM 1114 CA LYS A 73 19.858 -13.168 -4.994 1.00 0.00 C ATOM 1115 C LYS A 73 18.851 -13.253 -6.136 1.00 0.00 C ATOM 1116 O LYS A 73 17.764 -13.808 -5.979 1.00 0.00 O ATOM 1117 CB LYS A 73 21.148 -13.895 -5.380 1.00 0.00 C ATOM 1118 CG LYS A 73 22.261 -13.744 -4.355 1.00 0.00 C ATOM 1119 CD LYS A 73 23.592 -13.429 -5.017 1.00 0.00 C ATOM 1120 CE LYS A 73 24.670 -13.128 -3.987 1.00 0.00 C ATOM 1121 NZ LYS A 73 25.595 -12.058 -4.450 1.00 0.00 N ATOM 0 H LYS A 73 19.193 -14.748 -3.783 1.00 0.00 H new ATOM 0 HA LYS A 73 20.083 -12.117 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 73 20.932 -14.955 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 73 21.496 -13.515 -6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 73 22.006 -12.949 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 73 22.350 -14.663 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 73 23.902 -14.273 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 73 23.475 -12.574 -5.683 1.00 0.00 H new ATOM 0 HE2 LYS A 73 24.203 -12.824 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 73 25.238 -14.035 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 25.731 -11.363 -3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 26.512 -12.478 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 25.189 -11.584 -5.282 1.00 0.00 H new ATOM 1135 N ASP A 74 19.222 -12.701 -7.287 1.00 0.00 N ATOM 1136 CA ASP A 74 18.351 -12.717 -8.457 1.00 0.00 C ATOM 1137 C ASP A 74 18.696 -13.882 -9.381 1.00 0.00 C ATOM 1138 O ASP A 74 18.405 -13.846 -10.577 1.00 0.00 O ATOM 1139 CB ASP A 74 18.463 -11.395 -9.220 1.00 0.00 C ATOM 1140 CG ASP A 74 17.144 -10.967 -9.833 1.00 0.00 C ATOM 1141 OD1 ASP A 74 16.115 -11.030 -9.128 1.00 0.00 O ATOM 1142 OD2 ASP A 74 17.141 -10.569 -11.017 1.00 0.00 O ATOM 0 H ASP A 74 20.119 -12.238 -7.434 1.00 0.00 H new ATOM 0 HA ASP A 74 17.325 -12.845 -8.112 1.00 0.00 H new ATOM 0 HB2 ASP A 74 18.815 -10.617 -8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.211 -11.495 -10.007 1.00 0.00 H new ATOM 1147 N ASN A 75 19.318 -14.917 -8.817 1.00 0.00 N ATOM 1148 CA ASN A 75 19.708 -16.103 -9.580 1.00 0.00 C ATOM 1149 C ASN A 75 20.964 -15.855 -10.411 1.00 0.00 C ATOM 1150 O ASN A 75 21.470 -16.769 -11.063 1.00 0.00 O ATOM 1151 CB ASN A 75 18.565 -16.562 -10.491 1.00 0.00 C ATOM 1152 CG ASN A 75 18.242 -18.032 -10.315 1.00 0.00 C ATOM 1153 OD1 ASN A 75 19.071 -18.812 -9.846 1.00 0.00 O ATOM 1154 ND2 ASN A 75 17.028 -18.421 -10.693 1.00 0.00 N ATOM 0 H ASN A 75 19.564 -14.958 -7.828 1.00 0.00 H new ATOM 0 HA ASN A 75 19.930 -16.890 -8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 75 17.675 -15.969 -10.280 1.00 0.00 H new ATOM 0 HB3 ASN A 75 18.834 -16.374 -11.530 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.753 -19.399 -10.599 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.371 -17.742 -11.077 1.00 0.00 H new ATOM 1161 N GLU A 76 21.474 -14.629 -10.386 1.00 0.00 N ATOM 1162 CA GLU A 76 22.674 -14.302 -11.137 1.00 0.00 C ATOM 1163 C GLU A 76 23.486 -13.223 -10.438 1.00 0.00 C ATOM 1164 O GLU A 76 23.338 -12.034 -10.720 1.00 0.00 O ATOM 1165 CB GLU A 76 22.330 -13.853 -12.552 1.00 0.00 C ATOM 1166 CG GLU A 76 23.534 -13.862 -13.472 1.00 0.00 C ATOM 1167 CD GLU A 76 23.678 -12.578 -14.263 1.00 0.00 C ATOM 1168 OE1 GLU A 76 23.455 -11.494 -13.683 1.00 0.00 O ATOM 1169 OE2 GLU A 76 24.014 -12.654 -15.464 1.00 0.00 O ATOM 0 H GLU A 76 21.077 -13.852 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 76 23.276 -15.209 -11.193 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.560 -14.507 -12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 76 21.910 -12.848 -12.519 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.436 -14.022 -12.881 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.452 -14.701 -14.162 1.00 0.00 H new ATOM 1176 N GLY A 77 24.352 -13.662 -9.532 1.00 0.00 N ATOM 1177 CA GLY A 77 25.209 -12.749 -8.784 1.00 0.00 C ATOM 1178 C GLY A 77 24.545 -11.420 -8.463 1.00 0.00 C ATOM 1179 O GLY A 77 25.202 -10.378 -8.457 1.00 0.00 O ATOM 0 H GLY A 77 24.480 -14.646 -9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.513 -13.229 -7.853 1.00 0.00 H new ATOM 0 HA3 GLY A 77 26.117 -12.563 -9.358 1.00 0.00 H new ATOM 1183 N ASN A 78 23.242 -11.454 -8.201 1.00 0.00 N ATOM 1184 CA ASN A 78 22.497 -10.240 -7.885 1.00 0.00 C ATOM 1185 C ASN A 78 21.818 -10.351 -6.524 1.00 0.00 C ATOM 1186 O ASN A 78 20.647 -10.717 -6.432 1.00 0.00 O ATOM 1187 CB ASN A 78 21.452 -9.964 -8.967 1.00 0.00 C ATOM 1188 CG ASN A 78 21.996 -9.098 -10.088 1.00 0.00 C ATOM 1189 OD1 ASN A 78 22.854 -8.243 -9.867 1.00 0.00 O ATOM 1190 ND2 ASN A 78 21.496 -9.316 -11.298 1.00 0.00 N ATOM 0 H ASN A 78 22.682 -12.306 -8.201 1.00 0.00 H new ATOM 0 HA ASN A 78 23.204 -9.411 -7.849 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.101 -10.910 -9.380 1.00 0.00 H new ATOM 0 HB3 ASN A 78 20.589 -9.473 -8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 78 21.822 -8.764 -12.091 1.00 0.00 H new ATOM 0 HD22 ASN A 78 20.786 -10.036 -11.434 1.00 0.00 H new ATOM 1197 N GLU A 79 22.559 -10.026 -5.469 1.00 0.00 N ATOM 1198 CA GLU A 79 22.025 -10.084 -4.114 1.00 0.00 C ATOM 1199 C GLU A 79 21.029 -8.953 -3.874 1.00 0.00 C ATOM 1200 O GLU A 79 21.408 -7.854 -3.471 1.00 0.00 O ATOM 1201 CB GLU A 79 23.160 -10.005 -3.092 1.00 0.00 C ATOM 1202 CG GLU A 79 23.987 -8.734 -3.196 1.00 0.00 C ATOM 1203 CD GLU A 79 25.430 -8.940 -2.779 1.00 0.00 C ATOM 1204 OE1 GLU A 79 25.883 -10.104 -2.764 1.00 0.00 O ATOM 1205 OE2 GLU A 79 26.108 -7.938 -2.469 1.00 0.00 O ATOM 0 H GLU A 79 23.530 -9.720 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 79 21.505 -11.034 -3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.739 -10.073 -2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.815 -10.866 -3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 79 23.958 -8.370 -4.223 1.00 0.00 H new ATOM 0 HG3 GLU A 79 23.539 -7.962 -2.571 1.00 0.00 H new ATOM 1212 N VAL A 80 19.753 -9.230 -4.126 1.00 0.00 N ATOM 1213 CA VAL A 80 18.705 -8.234 -3.941 1.00 0.00 C ATOM 1214 C VAL A 80 17.764 -8.624 -2.808 1.00 0.00 C ATOM 1215 O VAL A 80 17.961 -9.639 -2.142 1.00 0.00 O ATOM 1216 CB VAL A 80 17.883 -8.031 -5.231 1.00 0.00 C ATOM 1217 CG1 VAL A 80 18.798 -7.697 -6.400 1.00 0.00 C ATOM 1218 CG2 VAL A 80 17.042 -9.265 -5.540 1.00 0.00 C ATOM 0 H VAL A 80 19.421 -10.135 -4.459 1.00 0.00 H new ATOM 0 HA VAL A 80 19.204 -7.299 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 80 17.205 -7.192 -5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.201 -7.557 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 80 19.346 -6.781 -6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.503 -8.514 -6.555 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.472 -9.097 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 80 17.696 -10.127 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.356 -9.454 -4.714 1.00 0.00 H new ATOM 1228 N VAL A 81 16.735 -7.811 -2.605 1.00 0.00 N ATOM 1229 CA VAL A 81 15.752 -8.066 -1.563 1.00 0.00 C ATOM 1230 C VAL A 81 14.479 -8.657 -2.167 1.00 0.00 C ATOM 1231 O VAL A 81 13.889 -8.070 -3.075 1.00 0.00 O ATOM 1232 CB VAL A 81 15.407 -6.773 -0.795 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.344 -7.035 0.260 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.659 -6.182 -0.163 1.00 0.00 C ATOM 0 H VAL A 81 16.560 -6.967 -3.151 1.00 0.00 H new ATOM 0 HA VAL A 81 16.186 -8.780 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 81 15.004 -6.051 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.118 -6.108 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.440 -7.409 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.711 -7.776 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.399 -5.270 0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 81 17.091 -6.903 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 81 17.385 -5.949 -0.942 1.00 0.00 H new ATOM 1244 N PRO A 82 14.034 -9.830 -1.679 1.00 0.00 N ATOM 1245 CA PRO A 82 12.830 -10.485 -2.189 1.00 0.00 C ATOM 1246 C PRO A 82 11.634 -9.543 -2.221 1.00 0.00 C ATOM 1247 O PRO A 82 11.494 -8.673 -1.364 1.00 0.00 O ATOM 1248 CB PRO A 82 12.581 -11.641 -1.212 1.00 0.00 C ATOM 1249 CG PRO A 82 13.511 -11.413 -0.069 1.00 0.00 C ATOM 1250 CD PRO A 82 14.659 -10.610 -0.606 1.00 0.00 C ATOM 0 HA PRO A 82 12.963 -10.819 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.544 -11.653 -0.876 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.773 -12.603 -1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.009 -10.880 0.739 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.859 -12.360 0.342 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.097 -9.968 0.159 1.00 0.00 H new ATOM 0 HD3 PRO A 82 15.458 -11.248 -0.982 1.00 0.00 H new ATOM 1258 N LYS A 83 10.778 -9.719 -3.221 1.00 0.00 N ATOM 1259 CA LYS A 83 9.591 -8.882 -3.373 1.00 0.00 C ATOM 1260 C LYS A 83 8.822 -8.761 -2.054 1.00 0.00 C ATOM 1261 O LYS A 83 8.299 -9.752 -1.541 1.00 0.00 O ATOM 1262 CB LYS A 83 8.676 -9.457 -4.455 1.00 0.00 C ATOM 1263 CG LYS A 83 9.028 -8.993 -5.860 1.00 0.00 C ATOM 1264 CD LYS A 83 9.907 -10.005 -6.576 1.00 0.00 C ATOM 1265 CE LYS A 83 9.763 -9.898 -8.085 1.00 0.00 C ATOM 1266 NZ LYS A 83 10.677 -10.832 -8.799 1.00 0.00 N ATOM 0 H LYS A 83 10.883 -10.435 -3.940 1.00 0.00 H new ATOM 0 HA LYS A 83 9.920 -7.886 -3.668 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.723 -10.545 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.646 -9.175 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.114 -8.834 -6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.543 -8.034 -5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.949 -9.846 -6.297 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.641 -11.012 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.732 -10.113 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.973 -8.875 -8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.547 -10.728 -9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.662 -10.611 -8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.460 -11.810 -8.521 1.00 0.00 H new ATOM 1280 N PRO A 84 8.734 -7.541 -1.487 1.00 0.00 N ATOM 1281 CA PRO A 84 8.016 -7.301 -0.227 1.00 0.00 C ATOM 1282 C PRO A 84 6.535 -7.650 -0.335 1.00 0.00 C ATOM 1283 O PRO A 84 6.110 -8.299 -1.292 1.00 0.00 O ATOM 1284 CB PRO A 84 8.189 -5.800 0.012 1.00 0.00 C ATOM 1285 CG PRO A 84 8.538 -5.235 -1.315 1.00 0.00 C ATOM 1286 CD PRO A 84 9.314 -6.302 -2.027 1.00 0.00 C ATOM 0 HA PRO A 84 8.404 -7.919 0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.274 -5.355 0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.974 -5.605 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.641 -4.967 -1.873 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.131 -4.327 -1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.193 -6.237 -3.108 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.382 -6.232 -1.820 1.00 0.00 H new ATOM 1294 N GLN A 85 5.751 -7.207 0.642 1.00 0.00 N ATOM 1295 CA GLN A 85 4.316 -7.466 0.644 1.00 0.00 C ATOM 1296 C GLN A 85 3.622 -6.613 -0.411 1.00 0.00 C ATOM 1297 O GLN A 85 4.245 -5.747 -1.026 1.00 0.00 O ATOM 1298 CB GLN A 85 3.720 -7.179 2.025 1.00 0.00 C ATOM 1299 CG GLN A 85 4.576 -7.680 3.176 1.00 0.00 C ATOM 1300 CD GLN A 85 3.881 -7.556 4.517 1.00 0.00 C ATOM 1301 OE1 GLN A 85 2.747 -8.005 4.685 1.00 0.00 O ATOM 1302 NE2 GLN A 85 4.559 -6.944 5.482 1.00 0.00 N ATOM 0 H GLN A 85 6.084 -6.668 1.441 1.00 0.00 H new ATOM 0 HA GLN A 85 4.157 -8.518 0.407 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.576 -6.104 2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.735 -7.641 2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.838 -8.724 3.002 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.509 -7.117 3.201 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.497 -6.587 5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.142 -6.831 6.406 1.00 0.00 H new ATOM 1311 N ARG A 86 2.333 -6.859 -0.625 1.00 0.00 N ATOM 1312 CA ARG A 86 1.574 -6.104 -1.614 1.00 0.00 C ATOM 1313 C ARG A 86 0.075 -6.174 -1.339 1.00 0.00 C ATOM 1314 O ARG A 86 -0.553 -7.215 -1.526 1.00 0.00 O ATOM 1315 CB ARG A 86 1.868 -6.632 -3.020 1.00 0.00 C ATOM 1316 CG ARG A 86 3.177 -6.121 -3.601 1.00 0.00 C ATOM 1317 CD ARG A 86 4.283 -7.159 -3.491 1.00 0.00 C ATOM 1318 NE ARG A 86 4.870 -7.473 -4.791 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.303 -8.283 -5.684 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.137 -8.860 -5.421 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.903 -8.515 -6.842 1.00 0.00 N ATOM 0 H ARG A 86 1.796 -7.571 -0.130 1.00 0.00 H new ATOM 0 HA ARG A 86 1.883 -5.061 -1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.893 -7.721 -2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.051 -6.349 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.031 -5.854 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.477 -5.212 -3.079 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.060 -6.791 -2.822 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.883 -8.069 -3.045 1.00 0.00 H new ATOM 0 HE ARG A 86 5.766 -7.048 -5.029 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.670 -8.684 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.708 -9.479 -6.109 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.799 -8.074 -7.050 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.469 -9.135 -7.526 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.493 -5.052 -0.906 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.921 -4.978 -0.619 1.00 0.00 C ATOM 1337 C HIS A 87 -2.644 -4.203 -1.715 1.00 0.00 C ATOM 1338 O HIS A 87 -2.460 -2.994 -1.857 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.160 -4.313 0.738 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.438 -4.980 1.867 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.752 -6.244 2.319 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -0.409 -4.552 2.637 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.949 -6.564 3.319 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -0.125 -5.555 3.530 1.00 0.00 N ATOM 0 H HIS A 87 0.014 -4.182 -0.746 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.318 -5.993 -0.586 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.847 -3.270 0.683 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.229 -4.314 0.950 1.00 0.00 H new ATOM 0 HD2 HIS A 87 0.094 -3.599 2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.965 -7.493 3.870 1.00 0.00 H new ATOM 0 HE2 HIS A 87 0.605 -5.525 4.242 1.00 0.00 H new ATOM 1353 N MET A 88 -3.458 -4.906 -2.496 1.00 0.00 N ATOM 1354 CA MET A 88 -4.197 -4.283 -3.587 1.00 0.00 C ATOM 1355 C MET A 88 -5.530 -3.718 -3.104 1.00 0.00 C ATOM 1356 O MET A 88 -6.371 -4.445 -2.577 1.00 0.00 O ATOM 1357 CB MET A 88 -4.437 -5.294 -4.709 1.00 0.00 C ATOM 1358 CG MET A 88 -4.841 -4.653 -6.028 1.00 0.00 C ATOM 1359 SD MET A 88 -3.905 -5.293 -7.431 1.00 0.00 S ATOM 1360 CE MET A 88 -3.428 -3.771 -8.245 1.00 0.00 C ATOM 0 H MET A 88 -3.622 -5.907 -2.393 1.00 0.00 H new ATOM 0 HA MET A 88 -3.596 -3.457 -3.968 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.529 -5.878 -4.861 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.216 -5.990 -4.399 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.904 -4.822 -6.199 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.697 -3.575 -5.962 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.623 -3.973 -8.951 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.285 -3.360 -8.779 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.086 -3.052 -7.501 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.714 -2.415 -3.297 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.944 -1.746 -2.892 1.00 0.00 C ATOM 1372 C PHE A 89 -7.540 -0.968 -4.062 1.00 0.00 C ATOM 1373 O PHE A 89 -6.841 -0.210 -4.734 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.677 -0.801 -1.719 1.00 0.00 C ATOM 1375 CG PHE A 89 -6.088 -1.484 -0.519 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.861 -2.327 0.263 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.761 -1.282 -0.173 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.321 -2.957 1.369 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.216 -1.910 0.932 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.997 -2.747 1.703 1.00 0.00 C ATOM 0 H PHE A 89 -5.025 -1.802 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.658 -2.506 -2.576 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.000 -0.012 -2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.612 -0.320 -1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.897 -2.494 0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.146 -0.627 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.933 -3.612 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.181 -1.746 1.191 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.573 -3.237 2.567 1.00 0.00 H new ATOM 1390 N SER A 90 -8.832 -1.163 -4.304 1.00 0.00 N ATOM 1391 CA SER A 90 -9.513 -0.479 -5.397 1.00 0.00 C ATOM 1392 C SER A 90 -10.350 0.687 -4.879 1.00 0.00 C ATOM 1393 O SER A 90 -11.344 0.489 -4.182 1.00 0.00 O ATOM 1394 CB SER A 90 -10.402 -1.460 -6.165 1.00 0.00 C ATOM 1395 OG SER A 90 -11.346 -0.774 -6.968 1.00 0.00 O ATOM 0 H SER A 90 -9.427 -1.787 -3.760 1.00 0.00 H new ATOM 0 HA SER A 90 -8.753 -0.082 -6.071 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.783 -2.101 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.923 -2.110 -5.462 1.00 0.00 H new ATOM 0 HG SER A 90 -11.900 -1.424 -7.449 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.940 1.902 -5.226 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.653 3.100 -4.798 1.00 0.00 C ATOM 1403 C PHE A 91 -11.815 3.402 -5.740 1.00 0.00 C ATOM 1404 O PHE A 91 -11.724 3.173 -6.946 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.694 4.291 -4.737 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.834 4.300 -3.505 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.198 3.145 -3.079 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.666 5.462 -2.769 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.411 3.148 -1.944 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.880 5.471 -1.634 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.252 4.314 -1.219 1.00 0.00 C ATOM 0 H PHE A 91 -9.118 2.083 -5.802 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.058 2.923 -3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.053 4.278 -5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.271 5.215 -4.776 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.319 2.231 -3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.155 6.371 -3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.921 2.241 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.756 6.384 -1.070 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.638 4.320 -0.330 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.911 3.907 -5.181 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.093 4.227 -5.974 1.00 0.00 C ATOM 1423 C ASN A 92 -14.404 5.722 -5.938 1.00 0.00 C ATOM 1424 O ASN A 92 -15.560 6.122 -5.798 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.299 3.434 -5.465 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.656 3.780 -4.033 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -16.577 4.556 -3.781 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -14.926 3.203 -3.085 1.00 0.00 N ATOM 0 H ASN A 92 -13.005 4.103 -4.184 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.885 3.950 -7.007 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.157 3.630 -6.108 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.085 2.368 -5.536 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.120 3.397 -2.103 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.171 2.566 -3.339 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.369 6.546 -6.070 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.542 7.995 -6.058 1.00 0.00 C ATOM 1437 C ASN A 93 -12.207 8.708 -6.250 1.00 0.00 C ATOM 1438 O ASN A 93 -11.142 8.102 -6.124 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.191 8.446 -4.747 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.196 9.562 -4.954 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.160 10.266 -5.963 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.100 9.728 -3.996 1.00 0.00 N ATOM 0 H ASN A 93 -12.404 6.236 -6.186 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.197 8.260 -6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.687 7.596 -4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.416 8.782 -4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.802 10.463 -4.079 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.092 9.121 -3.177 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.274 9.999 -6.555 1.00 0.00 N ATOM 1450 CA ARG A 94 -11.074 10.801 -6.766 1.00 0.00 C ATOM 1451 C ARG A 94 -10.634 11.473 -5.470 1.00 0.00 C ATOM 1452 O ARG A 94 -9.443 11.663 -5.229 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.323 11.862 -7.839 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.647 12.592 -7.680 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.589 13.988 -8.281 1.00 0.00 C ATOM 1456 NE ARG A 94 -13.322 14.961 -7.476 1.00 0.00 N ATOM 1457 CZ ARG A 94 -13.150 16.278 -7.568 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.273 16.782 -8.425 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -13.860 17.093 -6.798 1.00 0.00 N ATOM 0 H ARG A 94 -13.148 10.514 -6.662 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.279 10.134 -7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.512 12.589 -7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.295 11.388 -8.820 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.440 12.020 -8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.901 12.660 -6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.549 14.301 -8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.003 13.966 -9.289 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.005 14.611 -6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -11.725 16.160 -9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -12.146 17.792 -8.490 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.536 16.710 -6.137 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.730 18.102 -6.867 1.00 0.00 H new ATOM 1473 N THR A 95 -11.606 11.833 -4.642 1.00 0.00 N ATOM 1474 CA THR A 95 -11.325 12.486 -3.372 1.00 0.00 C ATOM 1475 C THR A 95 -10.867 11.472 -2.323 1.00 0.00 C ATOM 1476 O THR A 95 -10.160 11.821 -1.378 1.00 0.00 O ATOM 1477 CB THR A 95 -12.564 13.250 -2.896 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.423 14.635 -3.154 1.00 0.00 O ATOM 1479 CG2 THR A 95 -12.861 13.090 -1.422 1.00 0.00 C ATOM 0 H THR A 95 -12.598 11.683 -4.828 1.00 0.00 H new ATOM 0 HA THR A 95 -10.511 13.196 -3.516 1.00 0.00 H new ATOM 0 HB THR A 95 -13.392 12.816 -3.456 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.224 15.108 -2.846 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.753 13.662 -1.166 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.028 12.037 -1.197 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.016 13.456 -0.839 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.275 10.217 -2.492 1.00 0.00 N ATOM 1488 CA VAL A 96 -10.903 9.165 -1.555 1.00 0.00 C ATOM 1489 C VAL A 96 -9.443 8.761 -1.728 1.00 0.00 C ATOM 1490 O VAL A 96 -8.783 8.356 -0.771 1.00 0.00 O ATOM 1491 CB VAL A 96 -11.800 7.919 -1.713 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.605 7.277 -3.080 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.523 6.918 -0.602 1.00 0.00 C ATOM 0 H VAL A 96 -11.861 9.906 -3.267 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.044 9.573 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.840 8.237 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.248 6.401 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.863 7.994 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.564 6.975 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.164 6.046 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.478 6.609 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.727 7.380 0.364 1.00 0.00 H new ATOM 1503 N MET A 97 -8.939 8.879 -2.953 1.00 0.00 N ATOM 1504 CA MET A 97 -7.552 8.529 -3.242 1.00 0.00 C ATOM 1505 C MET A 97 -6.608 9.603 -2.728 1.00 0.00 C ATOM 1506 O MET A 97 -5.498 9.315 -2.280 1.00 0.00 O ATOM 1507 CB MET A 97 -7.352 8.336 -4.746 1.00 0.00 C ATOM 1508 CG MET A 97 -7.806 9.522 -5.580 1.00 0.00 C ATOM 1509 SD MET A 97 -6.986 9.597 -7.184 1.00 0.00 S ATOM 1510 CE MET A 97 -5.381 10.238 -6.714 1.00 0.00 C ATOM 0 H MET A 97 -9.468 9.213 -3.759 1.00 0.00 H new ATOM 0 HA MET A 97 -7.326 7.593 -2.732 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.296 8.148 -4.942 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.898 7.448 -5.065 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.884 9.465 -5.730 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.609 10.443 -5.032 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.976 10.839 -7.528 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.483 10.857 -5.823 1.00 0.00 H new ATOM 0 HE3 MET A 97 -4.705 9.409 -6.505 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.065 10.842 -2.796 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.276 11.980 -2.339 1.00 0.00 C ATOM 1522 C ASP A 98 -6.242 12.045 -0.815 1.00 0.00 C ATOM 1523 O ASP A 98 -5.305 12.587 -0.230 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.847 13.282 -2.905 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.948 14.473 -2.635 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -4.717 14.335 -2.793 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.475 15.543 -2.266 1.00 0.00 O ATOM 0 H ASP A 98 -7.983 11.089 -3.165 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.256 11.851 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.991 13.175 -3.980 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.829 13.465 -2.468 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.269 11.494 -0.176 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.351 11.496 1.281 1.00 0.00 C ATOM 1534 C ASN A 99 -6.518 10.366 1.878 1.00 0.00 C ATOM 1535 O ASN A 99 -5.969 10.498 2.972 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.807 11.364 1.731 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.552 12.683 1.674 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -9.034 13.720 2.088 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.776 12.649 1.160 1.00 0.00 N ATOM 0 H ASN A 99 -8.055 11.041 -0.643 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.951 12.444 1.639 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.315 10.635 1.099 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.836 10.977 2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.326 13.505 1.096 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.166 11.766 0.829 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.429 9.255 1.156 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.665 8.101 1.615 1.00 0.00 C ATOM 1548 C ILE A 100 -4.194 8.219 1.226 1.00 0.00 C ATOM 1549 O ILE A 100 -3.305 8.059 2.061 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.235 6.789 1.038 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.712 6.639 1.416 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.429 5.591 1.524 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.934 6.256 2.864 1.00 0.00 C ATOM 0 H ILE A 100 -6.877 9.129 0.249 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.746 8.080 2.702 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.159 6.828 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.227 7.579 1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.167 5.883 0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.848 4.676 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.393 5.695 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.469 5.543 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.003 6.168 3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.449 5.301 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.510 7.023 3.512 1.00 0.00 H new ATOM 1565 N LYS A 101 -3.948 8.487 -0.051 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.587 8.614 -0.560 1.00 0.00 C ATOM 1567 C LYS A 101 -1.810 9.703 0.174 1.00 0.00 C ATOM 1568 O LYS A 101 -0.604 9.577 0.388 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.611 8.917 -2.060 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.295 8.624 -2.761 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.210 9.329 -4.104 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.455 10.644 -3.995 1.00 0.00 C ATOM 1573 NZ LYS A 101 0.349 10.926 -5.217 1.00 0.00 N ATOM 0 H LYS A 101 -4.674 8.621 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.081 7.664 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.401 8.330 -2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.865 9.967 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.466 8.942 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.190 7.549 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.712 8.681 -4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.215 9.515 -4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.163 11.456 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.203 10.614 -3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.848 11.831 -5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.042 10.164 -5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.281 10.980 -6.042 1.00 0.00 H new ATOM 1587 N MET A 102 -2.499 10.778 0.548 1.00 0.00 N ATOM 1588 CA MET A 102 -1.856 11.889 1.244 1.00 0.00 C ATOM 1589 C MET A 102 -1.749 11.630 2.742 1.00 0.00 C ATOM 1590 O MET A 102 -0.839 12.132 3.403 1.00 0.00 O ATOM 1591 CB MET A 102 -2.624 13.188 0.994 1.00 0.00 C ATOM 1592 CG MET A 102 -2.508 13.699 -0.433 1.00 0.00 C ATOM 1593 SD MET A 102 -2.518 15.499 -0.528 1.00 0.00 S ATOM 1594 CE MET A 102 -4.278 15.829 -0.508 1.00 0.00 C ATOM 0 H MET A 102 -3.498 10.903 0.382 1.00 0.00 H new ATOM 0 HA MET A 102 -0.845 11.984 0.847 1.00 0.00 H new ATOM 0 HB2 MET A 102 -3.676 13.029 1.230 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.257 13.954 1.676 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.587 13.321 -0.877 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.333 13.303 -1.025 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.563 16.337 -1.429 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.824 14.889 -0.429 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.520 16.462 0.346 1.00 0.00 H new ATOM 1604 N THR A 103 -2.681 10.855 3.273 1.00 0.00 N ATOM 1605 CA THR A 103 -2.688 10.542 4.699 1.00 0.00 C ATOM 1606 C THR A 103 -1.780 9.358 5.009 1.00 0.00 C ATOM 1607 O THR A 103 -1.128 9.322 6.052 1.00 0.00 O ATOM 1608 CB THR A 103 -4.114 10.255 5.178 1.00 0.00 C ATOM 1609 OG1 THR A 103 -4.933 11.399 5.017 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.189 9.840 6.632 1.00 0.00 C ATOM 0 H THR A 103 -3.442 10.431 2.743 1.00 0.00 H new ATOM 0 HA THR A 103 -2.305 11.412 5.233 1.00 0.00 H new ATOM 0 HB THR A 103 -4.463 9.425 4.564 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.724 11.163 4.488 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.228 9.653 6.904 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.605 8.932 6.782 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.788 10.636 7.259 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.735 8.390 4.102 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.896 7.219 4.299 1.00 0.00 C ATOM 1620 C LEU A 104 0.571 7.628 4.333 1.00 0.00 C ATOM 1621 O LEU A 104 1.268 7.380 5.316 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.148 6.185 3.199 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.096 5.044 3.585 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.322 5.582 4.309 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.512 4.255 2.353 1.00 0.00 C ATOM 0 H LEU A 104 -2.265 8.393 3.231 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.150 6.761 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.556 6.697 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.192 5.756 2.899 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.564 4.375 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.981 4.755 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.011 6.102 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.854 6.275 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.185 3.449 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.022 4.916 1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.628 3.833 1.875 1.00 0.00 H new ATOM 1637 N GLN A 105 1.030 8.277 3.264 1.00 0.00 N ATOM 1638 CA GLN A 105 2.413 8.740 3.190 1.00 0.00 C ATOM 1639 C GLN A 105 2.751 9.596 4.404 1.00 0.00 C ATOM 1640 O GLN A 105 3.910 9.687 4.809 1.00 0.00 O ATOM 1641 CB GLN A 105 2.645 9.536 1.904 1.00 0.00 C ATOM 1642 CG GLN A 105 1.741 10.748 1.765 1.00 0.00 C ATOM 1643 CD GLN A 105 1.802 11.365 0.383 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.068 12.558 0.234 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.558 10.553 -0.637 1.00 0.00 N ATOM 0 H GLN A 105 0.467 8.493 2.441 1.00 0.00 H new ATOM 0 HA GLN A 105 3.067 7.868 3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.684 9.863 1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.491 8.879 1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.714 10.457 1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.025 11.496 2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.342 9.571 -0.467 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.587 10.911 -1.592 1.00 0.00 H new ATOM 1654 N GLN A 106 1.727 10.211 4.994 1.00 0.00 N ATOM 1655 CA GLN A 106 1.923 11.041 6.175 1.00 0.00 C ATOM 1656 C GLN A 106 2.451 10.190 7.319 1.00 0.00 C ATOM 1657 O GLN A 106 3.276 10.637 8.116 1.00 0.00 O ATOM 1658 CB GLN A 106 0.615 11.732 6.577 1.00 0.00 C ATOM 1659 CG GLN A 106 0.598 13.225 6.288 1.00 0.00 C ATOM 1660 CD GLN A 106 1.822 13.941 6.827 1.00 0.00 C ATOM 1661 OE1 GLN A 106 1.867 14.323 7.997 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.821 14.126 5.973 1.00 0.00 N ATOM 0 H GLN A 106 0.760 10.149 4.674 1.00 0.00 H new ATOM 0 HA GLN A 106 2.654 11.815 5.942 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.213 11.259 6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.444 11.575 7.642 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.536 13.381 5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.298 13.665 6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.739 13.792 5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.670 14.602 6.277 1.00 0.00 H new ATOM 1671 N ILE A 107 1.987 8.950 7.369 1.00 0.00 N ATOM 1672 CA ILE A 107 2.424 8.007 8.387 1.00 0.00 C ATOM 1673 C ILE A 107 3.776 7.426 7.994 1.00 0.00 C ATOM 1674 O ILE A 107 4.655 7.222 8.831 1.00 0.00 O ATOM 1675 CB ILE A 107 1.405 6.861 8.570 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.071 7.411 9.082 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.951 5.805 9.520 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.050 7.309 8.070 1.00 0.00 C ATOM 0 H ILE A 107 1.304 8.572 6.712 1.00 0.00 H new ATOM 0 HA ILE A 107 2.506 8.543 9.333 1.00 0.00 H new ATOM 0 HB ILE A 107 1.235 6.391 7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.214 6.870 9.984 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.202 8.456 9.364 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.218 5.006 9.636 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.875 5.394 9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.151 6.258 10.491 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.965 7.717 8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.785 7.873 7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.208 6.263 7.806 1.00 0.00 H new ATOM 1690 N ILE A 108 3.930 7.184 6.698 1.00 0.00 N ATOM 1691 CA ILE A 108 5.168 6.649 6.144 1.00 0.00 C ATOM 1692 C ILE A 108 6.339 7.547 6.502 1.00 0.00 C ATOM 1693 O ILE A 108 7.340 7.103 7.066 1.00 0.00 O ATOM 1694 CB ILE A 108 5.079 6.551 4.611 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.814 5.803 4.205 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.312 5.880 4.035 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.718 5.518 2.720 1.00 0.00 C ATOM 0 H ILE A 108 3.203 7.352 6.003 1.00 0.00 H new ATOM 0 HA ILE A 108 5.319 5.656 6.567 1.00 0.00 H new ATOM 0 HB ILE A 108 5.032 7.561 4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.771 4.860 4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.945 6.387 4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 108 6.222 5.824 2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.197 6.460 4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.403 4.874 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.791 4.984 2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.728 6.458 2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.566 4.907 2.411 1.00 0.00 H new ATOM 1709 N SER A 109 6.197 8.821 6.161 1.00 0.00 N ATOM 1710 CA SER A 109 7.233 9.816 6.430 1.00 0.00 C ATOM 1711 C SER A 109 7.701 9.753 7.881 1.00 0.00 C ATOM 1712 O SER A 109 8.834 10.120 8.195 1.00 0.00 O ATOM 1713 CB SER A 109 6.716 11.220 6.110 1.00 0.00 C ATOM 1714 OG SER A 109 6.718 11.458 4.713 1.00 0.00 O ATOM 0 H SER A 109 5.370 9.194 5.695 1.00 0.00 H new ATOM 0 HA SER A 109 8.085 9.591 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 109 5.705 11.336 6.500 1.00 0.00 H new ATOM 0 HB3 SER A 109 7.338 11.963 6.610 1.00 0.00 H new ATOM 0 HG SER A 109 6.382 12.361 4.535 1.00 0.00 H new ATOM 1720 N ARG A 110 6.825 9.284 8.760 1.00 0.00 N ATOM 1721 CA ARG A 110 7.152 9.169 10.178 1.00 0.00 C ATOM 1722 C ARG A 110 8.357 8.257 10.383 1.00 0.00 C ATOM 1723 O ARG A 110 9.139 8.445 11.314 1.00 0.00 O ATOM 1724 CB ARG A 110 5.953 8.632 10.962 1.00 0.00 C ATOM 1725 CG ARG A 110 4.664 9.396 10.705 1.00 0.00 C ATOM 1726 CD ARG A 110 3.530 8.886 11.581 1.00 0.00 C ATOM 1727 NE ARG A 110 3.824 9.045 13.004 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.933 8.845 13.971 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.692 8.478 13.675 1.00 0.00 N ATOM 1730 NH2 ARG A 110 3.284 9.012 15.240 1.00 0.00 N ATOM 0 H ARG A 110 5.883 8.977 8.518 1.00 0.00 H new ATOM 0 HA ARG A 110 7.401 10.163 10.549 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.801 7.584 10.704 1.00 0.00 H new ATOM 0 HB3 ARG A 110 6.181 8.669 12.027 1.00 0.00 H new ATOM 0 HG2 ARG A 110 4.824 10.457 10.897 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.386 9.300 9.655 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.614 9.424 11.338 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.349 7.833 11.363 1.00 0.00 H new ATOM 0 HE ARG A 110 4.768 9.326 13.271 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.417 8.348 12.701 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.013 8.326 14.421 1.00 0.00 H new ATOM 0 HH21 ARG A 110 4.236 9.293 15.473 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.601 8.859 15.982 1.00 0.00 H new ATOM 1744 N TYR A 111 8.500 7.270 9.504 1.00 0.00 N ATOM 1745 CA TYR A 111 9.612 6.328 9.585 1.00 0.00 C ATOM 1746 C TYR A 111 10.715 6.704 8.601 1.00 0.00 C ATOM 1747 O TYR A 111 11.505 5.856 8.185 1.00 0.00 O ATOM 1748 CB TYR A 111 9.132 4.899 9.304 1.00 0.00 C ATOM 1749 CG TYR A 111 7.682 4.654 9.657 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.266 4.607 10.981 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.729 4.468 8.664 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.942 4.382 11.307 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.402 4.242 8.980 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.014 4.201 10.304 1.00 0.00 C ATOM 1755 OH TYR A 111 3.695 3.977 10.624 1.00 0.00 O ATOM 0 H TYR A 111 7.860 7.101 8.728 1.00 0.00 H new ATOM 0 HA TYR A 111 10.015 6.374 10.597 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.280 4.679 8.247 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.754 4.201 9.865 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.990 4.749 11.770 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.030 4.500 7.627 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.636 4.348 12.342 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.674 4.098 8.196 1.00 0.00 H new ATOM 0 HH TYR A 111 3.483 4.424 11.470 1.00 0.00 H new ATOM 1765 N LYS A 112 10.763 7.980 8.230 1.00 0.00 N ATOM 1766 CA LYS A 112 11.769 8.466 7.292 1.00 0.00 C ATOM 1767 C LYS A 112 12.759 9.394 7.988 1.00 0.00 C ATOM 1768 O LYS A 112 13.941 9.075 8.116 1.00 0.00 O ATOM 1769 CB LYS A 112 11.098 9.198 6.129 1.00 0.00 C ATOM 1770 CG LYS A 112 11.911 9.177 4.844 1.00 0.00 C ATOM 1771 CD LYS A 112 11.019 9.034 3.620 1.00 0.00 C ATOM 1772 CE LYS A 112 10.017 10.173 3.523 1.00 0.00 C ATOM 1773 NZ LYS A 112 10.644 11.423 3.011 1.00 0.00 N ATOM 0 H LYS A 112 10.117 8.695 8.564 1.00 0.00 H new ATOM 0 HA LYS A 112 12.316 7.606 6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.124 8.746 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.918 10.233 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.493 10.095 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.622 8.351 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.635 9.012 2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.487 8.084 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.199 9.881 2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.584 10.360 4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.927 12.175 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.408 11.716 3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.035 11.252 2.062 1.00 0.00 H new ATOM 1787 N ASP A 113 12.268 10.544 8.438 1.00 0.00 N ATOM 1788 CA ASP A 113 13.108 11.519 9.122 1.00 0.00 C ATOM 1789 C ASP A 113 13.709 10.923 10.391 1.00 0.00 C ATOM 1790 O ASP A 113 14.824 11.270 10.782 1.00 0.00 O ATOM 1791 CB ASP A 113 12.296 12.770 9.468 1.00 0.00 C ATOM 1792 CG ASP A 113 11.946 13.589 8.241 1.00 0.00 C ATOM 1793 OD1 ASP A 113 12.854 14.239 7.683 1.00 0.00 O ATOM 1794 OD2 ASP A 113 10.763 13.580 7.839 1.00 0.00 O ATOM 0 H ASP A 113 11.292 10.823 8.341 1.00 0.00 H new ATOM 0 HA ASP A 113 13.921 11.796 8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 113 11.379 12.475 9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 113 12.864 13.388 10.164 1.00 0.00 H new ATOM 1799 N ALA A 114 12.965 10.026 11.028 1.00 0.00 N ATOM 1800 CA ALA A 114 13.426 9.381 12.252 1.00 0.00 C ATOM 1801 C ALA A 114 14.607 8.458 11.974 1.00 0.00 C ATOM 1802 O ALA A 114 15.535 8.364 12.777 1.00 0.00 O ATOM 1803 CB ALA A 114 12.288 8.607 12.899 1.00 0.00 C ATOM 0 H ALA A 114 12.040 9.729 10.717 1.00 0.00 H new ATOM 0 HA ALA A 114 13.761 10.157 12.940 1.00 0.00 H new ATOM 0 HB1 ALA A 114 12.645 8.130 13.812 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.474 9.291 13.141 1.00 0.00 H new ATOM 0 HB3 ALA A 114 11.928 7.845 12.208 1.00 0.00 H new ATOM 1809 N ASP A 115 14.565 7.778 10.833 1.00 0.00 N ATOM 1810 CA ASP A 115 15.633 6.861 10.450 1.00 0.00 C ATOM 1811 C ASP A 115 16.776 7.610 9.773 1.00 0.00 C ATOM 1812 O ASP A 115 17.745 7.970 10.473 1.00 0.00 O ATOM 1813 CB ASP A 115 15.093 5.778 9.516 1.00 0.00 C ATOM 1814 CG ASP A 115 15.882 4.487 9.610 1.00 0.00 C ATOM 1815 OD1 ASP A 115 16.878 4.346 8.870 1.00 0.00 O ATOM 1816 OD2 ASP A 115 15.504 3.617 10.421 1.00 0.00 O ATOM 0 H ASP A 115 13.804 7.844 10.158 1.00 0.00 H new ATOM 0 HA ASP A 115 16.017 6.391 11.355 1.00 0.00 H new ATOM 0 HB2 ASP A 115 14.049 5.581 9.758 1.00 0.00 H new ATOM 0 HB3 ASP A 115 15.119 6.142 8.489 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N TYR B 90 3.929 -1.827 -18.927 1.00 0.00 N ATOM 1823 CA TYR B 90 4.730 -1.836 -17.676 1.00 0.00 C ATOM 1824 C TYR B 90 3.844 -1.626 -16.452 1.00 0.00 C ATOM 1825 O TYR B 90 2.643 -1.387 -16.577 1.00 0.00 O ATOM 1826 CB TYR B 90 5.781 -0.727 -17.762 1.00 0.00 C ATOM 1827 CG TYR B 90 7.119 -1.112 -17.170 1.00 0.00 C ATOM 1828 CD1 TYR B 90 7.796 -2.241 -17.610 1.00 0.00 C ATOM 1829 CD2 TYR B 90 7.703 -0.344 -16.171 1.00 0.00 C ATOM 1830 CE1 TYR B 90 9.019 -2.596 -17.071 1.00 0.00 C ATOM 1831 CE2 TYR B 90 8.925 -0.692 -15.627 1.00 0.00 C ATOM 1832 CZ TYR B 90 9.578 -1.818 -16.081 1.00 0.00 C ATOM 1833 OH TYR B 90 10.795 -2.167 -15.541 1.00 0.00 O ATOM 0 HA TYR B 90 5.214 -2.807 -17.569 1.00 0.00 H new ATOM 0 HB2 TYR B 90 5.922 -0.452 -18.807 1.00 0.00 H new ATOM 0 HB3 TYR B 90 5.406 0.158 -17.247 1.00 0.00 H new ATOM 0 HD1 TYR B 90 7.360 -2.852 -18.386 1.00 0.00 H new ATOM 0 HD2 TYR B 90 7.194 0.539 -15.814 1.00 0.00 H new ATOM 0 HE1 TYR B 90 9.533 -3.478 -17.424 1.00 0.00 H new ATOM 0 HE2 TYR B 90 9.366 -0.085 -14.850 1.00 0.00 H new ATOM 0 HH TYR B 90 11.048 -1.514 -14.856 1.00 0.00 H new ATOM 1843 N ASP B 91 4.444 -1.718 -15.270 1.00 0.00 N ATOM 1844 CA ASP B 91 3.709 -1.539 -14.023 1.00 0.00 C ATOM 1845 C ASP B 91 3.714 -0.075 -13.595 1.00 0.00 C ATOM 1846 O ASP B 91 2.764 0.404 -12.974 1.00 0.00 O ATOM 1847 CB ASP B 91 4.316 -2.407 -12.920 1.00 0.00 C ATOM 1848 CG ASP B 91 3.533 -2.326 -11.624 1.00 0.00 C ATOM 1849 OD1 ASP B 91 2.469 -2.973 -11.532 1.00 0.00 O ATOM 1850 OD2 ASP B 91 3.984 -1.616 -10.700 1.00 0.00 O ATOM 0 H ASP B 91 5.437 -1.915 -15.149 1.00 0.00 H new ATOM 0 HA ASP B 91 2.677 -1.847 -14.191 1.00 0.00 H new ATOM 0 HB2 ASP B 91 4.352 -3.443 -13.255 1.00 0.00 H new ATOM 0 HB3 ASP B 91 5.345 -2.094 -12.740 1.00 0.00 H new ATOM 1855 N SER B 92 4.788 0.632 -13.930 1.00 0.00 N ATOM 1856 CA SER B 92 4.918 2.041 -13.580 1.00 0.00 C ATOM 1857 C SER B 92 3.924 2.891 -14.366 1.00 0.00 C ATOM 1858 O SER B 92 3.457 3.923 -13.884 1.00 0.00 O ATOM 1859 CB SER B 92 6.344 2.525 -13.845 1.00 0.00 C ATOM 1860 OG SER B 92 6.486 3.897 -13.522 1.00 0.00 O ATOM 0 H SER B 92 5.582 0.251 -14.444 1.00 0.00 H new ATOM 0 HA SER B 92 4.698 2.147 -12.518 1.00 0.00 H new ATOM 0 HB2 SER B 92 7.047 1.935 -13.256 1.00 0.00 H new ATOM 0 HB3 SER B 92 6.596 2.367 -14.894 1.00 0.00 H new ATOM 0 HG SER B 92 7.407 4.181 -13.699 1.00 0.00 H new ATOM 1866 N GLU B 93 3.608 2.452 -15.580 1.00 0.00 N ATOM 1867 CA GLU B 93 2.671 3.173 -16.434 1.00 0.00 C ATOM 1868 C GLU B 93 1.235 2.973 -15.960 1.00 0.00 C ATOM 1869 O GLU B 93 0.482 3.935 -15.809 1.00 0.00 O ATOM 1870 CB GLU B 93 2.810 2.708 -17.885 1.00 0.00 C ATOM 1871 CG GLU B 93 2.053 3.576 -18.876 1.00 0.00 C ATOM 1872 CD GLU B 93 2.382 3.236 -20.318 1.00 0.00 C ATOM 1873 OE1 GLU B 93 3.545 3.438 -20.725 1.00 0.00 O ATOM 1874 OE2 GLU B 93 1.475 2.769 -21.038 1.00 0.00 O ATOM 0 H GLU B 93 3.987 1.601 -15.995 1.00 0.00 H new ATOM 0 HA GLU B 93 2.909 4.235 -16.374 1.00 0.00 H new ATOM 0 HB2 GLU B 93 3.866 2.698 -18.155 1.00 0.00 H new ATOM 0 HB3 GLU B 93 2.451 1.682 -17.965 1.00 0.00 H new ATOM 0 HG2 GLU B 93 0.982 3.457 -18.714 1.00 0.00 H new ATOM 0 HG3 GLU B 93 2.289 4.624 -18.690 1.00 0.00 H new ATOM 1881 N GLU B 94 0.863 1.719 -15.727 1.00 0.00 N ATOM 1882 CA GLU B 94 -0.484 1.394 -15.271 1.00 0.00 C ATOM 1883 C GLU B 94 -0.657 1.735 -13.794 1.00 0.00 C ATOM 1884 O GLU B 94 -1.752 2.082 -13.352 1.00 0.00 O ATOM 1885 CB GLU B 94 -0.778 -0.090 -15.501 1.00 0.00 C ATOM 1886 CG GLU B 94 -0.991 -0.448 -16.963 1.00 0.00 C ATOM 1887 CD GLU B 94 -1.119 -1.942 -17.184 1.00 0.00 C ATOM 1888 OE1 GLU B 94 -0.310 -2.700 -16.606 1.00 0.00 O ATOM 1889 OE2 GLU B 94 -2.027 -2.356 -17.935 1.00 0.00 O ATOM 0 H GLU B 94 1.475 0.911 -15.846 1.00 0.00 H new ATOM 0 HA GLU B 94 -1.190 1.992 -15.848 1.00 0.00 H new ATOM 0 HB2 GLU B 94 0.049 -0.681 -15.107 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -1.667 -0.368 -14.934 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -1.891 0.048 -17.327 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -0.156 -0.067 -17.552 1.00 0.00 H new ATOM 1896 N PHE B 95 0.429 1.633 -13.036 1.00 0.00 N ATOM 1897 CA PHE B 95 0.396 1.931 -11.609 1.00 0.00 C ATOM 1898 C PHE B 95 1.564 2.829 -11.213 1.00 0.00 C ATOM 1899 O PHE B 95 2.703 2.600 -11.622 1.00 0.00 O ATOM 1900 CB PHE B 95 0.435 0.633 -10.798 1.00 0.00 C ATOM 1901 CG PHE B 95 -0.495 0.633 -9.619 1.00 0.00 C ATOM 1902 CD1 PHE B 95 -0.457 1.658 -8.688 1.00 0.00 C ATOM 1903 CD2 PHE B 95 -1.408 -0.394 -9.441 1.00 0.00 C ATOM 1904 CE1 PHE B 95 -1.311 1.660 -7.602 1.00 0.00 C ATOM 1905 CE2 PHE B 95 -2.265 -0.398 -8.357 1.00 0.00 C ATOM 1906 CZ PHE B 95 -2.216 0.630 -7.437 1.00 0.00 C ATOM 0 H PHE B 95 1.343 1.346 -13.386 1.00 0.00 H new ATOM 0 HA PHE B 95 -0.532 2.460 -11.393 1.00 0.00 H new ATOM 0 HB2 PHE B 95 0.180 -0.202 -11.451 1.00 0.00 H new ATOM 0 HB3 PHE B 95 1.453 0.464 -10.447 1.00 0.00 H new ATOM 0 HD1 PHE B 95 0.249 2.466 -8.813 1.00 0.00 H new ATOM 0 HD2 PHE B 95 -1.450 -1.201 -10.158 1.00 0.00 H new ATOM 0 HE1 PHE B 95 -1.271 2.465 -6.884 1.00 0.00 H new ATOM 0 HE2 PHE B 95 -2.972 -1.204 -8.230 1.00 0.00 H new ATOM 0 HZ PHE B 95 -2.885 0.629 -6.589 1.00 0.00 H new ATOM 1916 N GLU B 96 1.275 3.851 -10.414 1.00 0.00 N ATOM 1917 CA GLU B 96 2.301 4.783 -9.962 1.00 0.00 C ATOM 1918 C GLU B 96 2.753 4.450 -8.544 1.00 0.00 C ATOM 1919 O GLU B 96 1.934 4.159 -7.673 1.00 0.00 O ATOM 1920 CB GLU B 96 1.777 6.220 -10.019 1.00 0.00 C ATOM 1921 CG GLU B 96 2.877 7.269 -9.999 1.00 0.00 C ATOM 1922 CD GLU B 96 3.691 7.285 -11.277 1.00 0.00 C ATOM 1923 OE1 GLU B 96 3.107 7.542 -12.351 1.00 0.00 O ATOM 1924 OE2 GLU B 96 4.914 7.040 -11.206 1.00 0.00 O ATOM 0 H GLU B 96 0.338 4.055 -10.066 1.00 0.00 H new ATOM 0 HA GLU B 96 3.159 4.690 -10.628 1.00 0.00 H new ATOM 0 HB2 GLU B 96 1.183 6.346 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU B 96 1.110 6.389 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU B 96 2.433 8.252 -9.843 1.00 0.00 H new ATOM 0 HG3 GLU B 96 3.539 7.080 -9.154 1.00 0.00 H new ATOM 1931 N ASP B 97 4.063 4.491 -8.321 1.00 0.00 N ATOM 1932 CA ASP B 97 4.623 4.191 -7.008 1.00 0.00 C ATOM 1933 C ASP B 97 4.868 5.468 -6.211 1.00 0.00 C ATOM 1934 O ASP B 97 5.335 6.471 -6.751 1.00 0.00 O ATOM 1935 CB ASP B 97 5.931 3.412 -7.157 1.00 0.00 C ATOM 1936 CG ASP B 97 6.211 2.520 -5.963 1.00 0.00 C ATOM 1937 OD1 ASP B 97 6.419 3.058 -4.855 1.00 0.00 O ATOM 1938 OD2 ASP B 97 6.221 1.282 -6.135 1.00 0.00 O ATOM 0 H ASP B 97 4.755 4.729 -9.031 1.00 0.00 H new ATOM 0 HA ASP B 97 3.901 3.581 -6.465 1.00 0.00 H new ATOM 0 HB2 ASP B 97 5.887 2.803 -8.060 1.00 0.00 H new ATOM 0 HB3 ASP B 97 6.756 4.113 -7.285 1.00 0.00 H new ATOM 1943 N VAL B 98 4.553 5.421 -4.921 1.00 0.00 N ATOM 1944 CA VAL B 98 4.740 6.569 -4.042 1.00 0.00 C ATOM 1945 C VAL B 98 6.109 6.520 -3.369 1.00 0.00 C ATOM 1946 O VAL B 98 6.744 5.467 -3.313 1.00 0.00 O ATOM 1947 CB VAL B 98 3.647 6.632 -2.959 1.00 0.00 C ATOM 1948 CG1 VAL B 98 3.732 7.937 -2.180 1.00 0.00 C ATOM 1949 CG2 VAL B 98 2.269 6.465 -3.581 1.00 0.00 C ATOM 0 H VAL B 98 4.166 4.598 -4.460 1.00 0.00 H new ATOM 0 HA VAL B 98 4.672 7.462 -4.663 1.00 0.00 H new ATOM 0 HB VAL B 98 3.810 5.811 -2.261 1.00 0.00 H new ATOM 0 HG11 VAL B 98 2.950 7.959 -1.421 1.00 0.00 H new ATOM 0 HG12 VAL B 98 4.707 8.011 -1.699 1.00 0.00 H new ATOM 0 HG13 VAL B 98 3.599 8.777 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL B 98 1.509 6.512 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL B 98 2.097 7.263 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL B 98 2.212 5.500 -4.085 1.00 0.00 H new ATOM 1959 N THR B 99 6.560 7.664 -2.860 1.00 0.00 N ATOM 1960 CA THR B 99 7.856 7.751 -2.191 1.00 0.00 C ATOM 1961 C THR B 99 8.040 6.613 -1.190 1.00 0.00 C ATOM 1962 O THR B 99 7.201 6.402 -0.314 1.00 0.00 O ATOM 1963 CB THR B 99 7.993 9.097 -1.478 1.00 0.00 C ATOM 1964 OG1 THR B 99 9.288 9.241 -0.924 1.00 0.00 O ATOM 1965 CG2 THR B 99 6.990 9.286 -0.360 1.00 0.00 C ATOM 0 H THR B 99 6.047 8.545 -2.898 1.00 0.00 H new ATOM 0 HA THR B 99 8.632 7.665 -2.952 1.00 0.00 H new ATOM 0 HB THR B 99 7.806 9.850 -2.243 1.00 0.00 H new ATOM 0 HG1 THR B 99 9.357 10.109 -0.474 1.00 0.00 H new ATOM 0 HG21 THR B 99 7.142 10.261 0.104 1.00 0.00 H new ATOM 0 HG22 THR B 99 5.979 9.230 -0.765 1.00 0.00 H new ATOM 0 HG23 THR B 99 7.126 8.504 0.387 1.00 0.00 H new ATOM 1973 N ASP B 100 9.141 5.883 -1.327 1.00 0.00 N ATOM 1974 CA ASP B 100 9.435 4.767 -0.435 1.00 0.00 C ATOM 1975 C ASP B 100 10.292 5.221 0.741 1.00 0.00 C ATOM 1976 O ASP B 100 10.006 4.893 1.893 1.00 0.00 O ATOM 1977 CB ASP B 100 10.149 3.651 -1.200 1.00 0.00 C ATOM 1978 CG ASP B 100 11.418 4.132 -1.877 1.00 0.00 C ATOM 1979 OD1 ASP B 100 12.472 4.162 -1.210 1.00 0.00 O ATOM 1980 OD2 ASP B 100 11.356 4.481 -3.076 1.00 0.00 O ATOM 0 H ASP B 100 9.845 6.044 -2.047 1.00 0.00 H new ATOM 0 HA ASP B 100 8.490 4.386 -0.047 1.00 0.00 H new ATOM 0 HB2 ASP B 100 10.392 2.841 -0.512 1.00 0.00 H new ATOM 0 HB3 ASP B 100 9.474 3.240 -1.950 1.00 0.00 H new ATOM 1985 N GLY B 101 11.345 5.977 0.444 1.00 0.00 N ATOM 1986 CA GLY B 101 12.226 6.463 1.488 1.00 0.00 C ATOM 1987 C GLY B 101 13.443 7.179 0.933 1.00 0.00 C ATOM 1988 O GLY B 101 13.321 8.038 0.060 1.00 0.00 O ATOM 0 H GLY B 101 11.603 6.261 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY B 101 11.674 7.142 2.138 1.00 0.00 H new ATOM 0 HA3 GLY B 101 12.551 5.625 2.104 1.00 0.00 H new ATOM 1992 N ASN B 102 14.618 6.823 1.440 1.00 0.00 N ATOM 1993 CA ASN B 102 15.861 7.437 0.989 1.00 0.00 C ATOM 1994 C ASN B 102 17.045 6.504 1.223 1.00 0.00 C ATOM 1995 O ASN B 102 18.163 6.954 1.475 1.00 0.00 O ATOM 1996 CB ASN B 102 16.092 8.764 1.716 1.00 0.00 C ATOM 1997 CG ASN B 102 16.770 9.795 0.835 1.00 0.00 C ATOM 1998 OD1 ASN B 102 16.990 9.564 -0.354 1.00 0.00 O ATOM 1999 ND2 ASN B 102 17.106 10.940 1.416 1.00 0.00 N ATOM 0 H ASN B 102 14.736 6.113 2.163 1.00 0.00 H new ATOM 0 HA ASN B 102 15.776 7.626 -0.081 1.00 0.00 H new ATOM 0 HB2 ASN B 102 15.136 9.157 2.061 1.00 0.00 H new ATOM 0 HB3 ASN B 102 16.703 8.589 2.602 1.00 0.00 H new ATOM 0 HD21 ASN B 102 17.566 11.671 0.874 1.00 0.00 H new ATOM 0 HD22 ASN B 102 16.904 11.089 2.405 1.00 0.00 H new ATOM 2006 N GLU B 103 16.792 5.202 1.136 1.00 0.00 N ATOM 2007 CA GLU B 103 17.837 4.206 1.337 1.00 0.00 C ATOM 2008 C GLU B 103 17.672 3.040 0.367 1.00 0.00 C ATOM 2009 O GLU B 103 17.029 2.041 0.684 1.00 0.00 O ATOM 2010 CB GLU B 103 17.810 3.691 2.778 1.00 0.00 C ATOM 2011 CG GLU B 103 19.179 3.304 3.312 1.00 0.00 C ATOM 2012 CD GLU B 103 19.267 3.407 4.821 1.00 0.00 C ATOM 2013 OE1 GLU B 103 18.503 4.202 5.408 1.00 0.00 O ATOM 2014 OE2 GLU B 103 20.100 2.692 5.417 1.00 0.00 O ATOM 0 H GLU B 103 15.873 4.813 0.928 1.00 0.00 H new ATOM 0 HA GLU B 103 18.799 4.682 1.146 1.00 0.00 H new ATOM 0 HB2 GLU B 103 17.382 4.460 3.422 1.00 0.00 H new ATOM 0 HB3 GLU B 103 17.150 2.825 2.833 1.00 0.00 H new ATOM 0 HG2 GLU B 103 19.408 2.283 3.007 1.00 0.00 H new ATOM 0 HG3 GLU B 103 19.935 3.948 2.863 1.00 0.00 H new ATOM 2021 N VAL B 104 18.257 3.178 -0.819 1.00 0.00 N ATOM 2022 CA VAL B 104 18.175 2.138 -1.837 1.00 0.00 C ATOM 2023 C VAL B 104 18.971 0.904 -1.427 1.00 0.00 C ATOM 2024 O VAL B 104 19.905 1.048 -0.610 1.00 0.00 O ATOM 2025 CB VAL B 104 18.694 2.640 -3.197 1.00 0.00 C ATOM 2026 CG1 VAL B 104 17.731 3.652 -3.797 1.00 0.00 C ATOM 2027 CG2 VAL B 104 20.084 3.238 -3.050 1.00 0.00 C ATOM 0 H VAL B 104 18.793 4.000 -1.098 1.00 0.00 H new ATOM 0 HA VAL B 104 17.122 1.873 -1.934 1.00 0.00 H new ATOM 0 HB VAL B 104 18.759 1.790 -3.876 1.00 0.00 H new ATOM 0 HG11 VAL B 104 18.115 3.995 -4.758 1.00 0.00 H new ATOM 0 HG12 VAL B 104 16.757 3.186 -3.942 1.00 0.00 H new ATOM 0 HG13 VAL B 104 17.630 4.502 -3.122 1.00 0.00 H new ATOM 0 HG21 VAL B 104 20.434 3.587 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL B 104 20.048 4.076 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL B 104 20.768 2.480 -2.669 1.00 0.00 H new TER 2037 VAL B 104