USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 734 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 83 ASN : amide:sc= -1.02 X(o=-0.95,f=-0.91) USER MOD Set 1.2: A 84 ASN : amide:sc= 0.0749 K(o=-0.95,f=-5!) USER MOD Set 2.1: A 72 ASN : amide:sc= 0.53 K(o=1,f=-4.2) USER MOD Set 2.2: A 81 GLN : amide:sc= 0.478! C(o=1!,f=-4.2!) USER MOD Set 3.1: A 63 TYR OH : rot -39:sc= 1.17 USER MOD Set 3.2: A 67 LYS NZ :NH3+ 178:sc= 1.26 (180deg=-0.0149) USER MOD Set 4.1: A 38 ASN : amide:sc= 1.04 K(o=1.7,f=-2.8) USER MOD Set 4.2: A 42 GLN : amide:sc= 0.635 K(o=1.7,f=-2.8!) USER MOD Set 5.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 32 THR OG1 : rot 180:sc= 0.0114 USER MOD Set 6.1: A 3 GLN : amide:sc= -1.54! X(o=-1.7!,f=-1.6) USER MOD Set 6.2: A 50 GLN : amide:sc= -0.166 X(o=-1.7,f=-1.6!) USER MOD Set 7.1: A 1 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 48 SER OG : rot 180:sc= 0.0739 USER MOD Single : A 1 SER N :NH3+ -169:sc= -0.0066 (180deg=-0.144) USER MOD Single : A 2 LYS NZ :NH3+ -122:sc= 0.227 (180deg=0.0376) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.15 K(o=-0.15,f=-3.2!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.105 USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.16) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= 0.832 (180deg=0.721) USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= 1.2 (180deg=0.589) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= -0.116 (180deg=-0.519) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0.956 K(o=0.96,f=-7.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -111:sc= 0.582 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00877 USER MOD Single : A 33 GLN : amide:sc= -0.327 K(o=-0.33,f=-5.3!) USER MOD Single : A 35 CYS SG : rot 74:sc= 1.17 USER MOD Single : A 44 GLN : amide:sc= -6.06! C(o=-6.1!,f=-7.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.194 K(o=-0.19,f=-9.3!) USER MOD Single : A 52 MET CE :methyl 140:sc= -0.37 (180deg=-1.17) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.917 F(o=-2.6!,f=-0.92) USER MOD Single : A 56 SER OG : rot 19:sc= 0.502 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.0441 X(o=0.044,f=0) USER MOD Single : A 62 SER OG : rot 176:sc= -0.939 USER MOD Single : A 64 LYS NZ :NH3+ 168:sc=-0.00939 (180deg=-0.145) USER MOD Single : A 65 GLN : amide:sc= 0.737 K(o=0.74,f=-5.2!) USER MOD Single : A 68 THR OG1 : rot 54:sc= 1.23 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0854 F(o=-1.1,f=-0.085) USER MOD Single : A 73 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.9!) USER MOD Single : A 75 MET CE :methyl -162:sc= -5.19! (180deg=-5.91!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 63:sc= 1.28 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.965 11.982 -7.603 1.00 0.00 N ATOM 2 CA SER A 1 -12.344 11.326 -6.431 1.00 0.00 C ATOM 3 C SER A 1 -12.176 12.308 -5.278 1.00 0.00 C ATOM 4 O SER A 1 -12.276 11.918 -4.117 1.00 0.00 O ATOM 5 CB SER A 1 -10.981 10.741 -6.811 1.00 0.00 C ATOM 6 OG SER A 1 -11.084 9.847 -7.908 1.00 0.00 O ATOM 0 H1 SER A 1 -13.238 11.260 -8.300 1.00 0.00 H new ATOM 0 H2 SER A 1 -13.809 12.508 -7.300 1.00 0.00 H new ATOM 0 H3 SER A 1 -12.284 12.640 -8.034 1.00 0.00 H new ATOM 0 HA SER A 1 -13.006 10.522 -6.108 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.295 11.550 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.557 10.218 -5.954 1.00 0.00 H new ATOM 0 HG SER A 1 -10.197 9.493 -8.126 1.00 0.00 H new ATOM 14 N LYS A 2 -11.898 13.577 -5.607 1.00 0.00 N ATOM 15 CA LYS A 2 -11.766 14.641 -4.607 1.00 0.00 C ATOM 16 C LYS A 2 -10.514 14.433 -3.744 1.00 0.00 C ATOM 17 O LYS A 2 -10.333 15.088 -2.715 1.00 0.00 O ATOM 18 CB LYS A 2 -13.036 14.703 -3.735 1.00 0.00 C ATOM 19 CG LYS A 2 -13.063 15.850 -2.737 1.00 0.00 C ATOM 20 CD LYS A 2 -14.275 15.773 -1.825 1.00 0.00 C ATOM 21 CE LYS A 2 -14.183 16.789 -0.701 1.00 0.00 C ATOM 22 NZ LYS A 2 -13.013 16.529 0.179 1.00 0.00 N ATOM 0 H LYS A 2 -11.759 13.892 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.652 15.594 -5.124 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.905 14.786 -4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.134 13.763 -3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.154 15.831 -2.136 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.071 16.799 -3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.181 15.949 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.355 14.770 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.107 17.792 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.098 16.761 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.338 16.389 1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.517 15.675 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.364 17.341 0.143 1.00 0.00 H new ATOM 36 N GLN A 3 -9.625 13.546 -4.208 1.00 0.00 N ATOM 37 CA GLN A 3 -8.437 13.144 -3.448 1.00 0.00 C ATOM 38 C GLN A 3 -8.839 12.416 -2.158 1.00 0.00 C ATOM 39 O GLN A 3 -9.946 12.586 -1.660 1.00 0.00 O ATOM 40 CB GLN A 3 -7.530 14.348 -3.129 1.00 0.00 C ATOM 41 CG GLN A 3 -6.839 14.952 -4.348 1.00 0.00 C ATOM 42 CD GLN A 3 -7.671 16.012 -5.057 1.00 0.00 C ATOM 43 OE1 GLN A 3 -7.585 16.174 -6.275 1.00 0.00 O ATOM 44 NE2 GLN A 3 -8.463 16.755 -4.301 1.00 0.00 N ATOM 0 H GLN A 3 -9.709 13.089 -5.116 1.00 0.00 H new ATOM 0 HA GLN A 3 -7.866 12.457 -4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -8.128 15.120 -2.645 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.770 14.036 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.892 15.393 -4.037 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.603 14.155 -5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -8.508 16.592 -3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -9.028 17.491 -4.724 1.00 0.00 H new ATOM 53 N PRO A 4 -7.949 11.576 -1.600 1.00 0.00 N ATOM 54 CA PRO A 4 -8.247 10.804 -0.381 1.00 0.00 C ATOM 55 C PRO A 4 -8.314 11.671 0.878 1.00 0.00 C ATOM 56 O PRO A 4 -8.640 11.189 1.965 1.00 0.00 O ATOM 57 CB PRO A 4 -7.078 9.824 -0.292 1.00 0.00 C ATOM 58 CG PRO A 4 -5.961 10.511 -0.996 1.00 0.00 C ATOM 59 CD PRO A 4 -6.594 11.299 -2.108 1.00 0.00 C ATOM 0 HA PRO A 4 -9.226 10.328 -0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.820 9.607 0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -7.321 8.873 -0.766 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.415 11.165 -0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.244 9.789 -1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.045 12.218 -2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.622 10.731 -3.038 1.00 0.00 H new ATOM 67 N THR A 5 -8.005 12.948 0.735 1.00 0.00 N ATOM 68 CA THR A 5 -8.037 13.860 1.862 1.00 0.00 C ATOM 69 C THR A 5 -9.447 14.425 2.059 1.00 0.00 C ATOM 70 O THR A 5 -10.039 14.998 1.139 1.00 0.00 O ATOM 71 CB THR A 5 -7.007 15.004 1.704 1.00 0.00 C ATOM 72 OG1 THR A 5 -7.083 15.897 2.824 1.00 0.00 O ATOM 73 CG2 THR A 5 -7.222 15.780 0.409 1.00 0.00 C ATOM 0 H THR A 5 -7.730 13.375 -0.149 1.00 0.00 H new ATOM 0 HA THR A 5 -7.761 13.293 2.751 1.00 0.00 H new ATOM 0 HB THR A 5 -6.016 14.552 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.426 16.616 2.714 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.480 16.575 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.119 15.105 -0.441 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.221 16.215 0.407 1.00 0.00 H new ATOM 81 N SER A 6 -9.983 14.231 3.265 1.00 0.00 N ATOM 82 CA SER A 6 -11.327 14.688 3.614 1.00 0.00 C ATOM 83 C SER A 6 -12.380 14.105 2.667 1.00 0.00 C ATOM 84 O SER A 6 -13.395 14.743 2.377 1.00 0.00 O ATOM 85 CB SER A 6 -11.380 16.218 3.609 1.00 0.00 C ATOM 86 OG SER A 6 -10.497 16.760 4.581 1.00 0.00 O ATOM 0 H SER A 6 -9.498 13.754 4.025 1.00 0.00 H new ATOM 0 HA SER A 6 -11.557 14.331 4.618 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.113 16.592 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.398 16.551 3.811 1.00 0.00 H new ATOM 0 HG SER A 6 -10.546 17.738 4.558 1.00 0.00 H new ATOM 92 N ALA A 7 -12.129 12.896 2.182 1.00 0.00 N ATOM 93 CA ALA A 7 -13.098 12.178 1.367 1.00 0.00 C ATOM 94 C ALA A 7 -13.413 10.836 2.008 1.00 0.00 C ATOM 95 O ALA A 7 -14.056 9.973 1.407 1.00 0.00 O ATOM 96 CB ALA A 7 -12.572 11.985 -0.046 1.00 0.00 C ATOM 0 H ALA A 7 -11.257 12.390 2.341 1.00 0.00 H new ATOM 0 HA ALA A 7 -14.014 12.766 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -13.311 11.446 -0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.382 12.958 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.645 11.412 -0.014 1.00 0.00 H new ATOM 102 N GLU A 8 -12.964 10.683 3.246 1.00 0.00 N ATOM 103 CA GLU A 8 -13.152 9.448 3.991 1.00 0.00 C ATOM 104 C GLU A 8 -14.625 9.242 4.331 1.00 0.00 C ATOM 105 O GLU A 8 -15.268 10.115 4.920 1.00 0.00 O ATOM 106 CB GLU A 8 -12.299 9.460 5.262 1.00 0.00 C ATOM 107 CG GLU A 8 -12.477 10.702 6.123 1.00 0.00 C ATOM 108 CD GLU A 8 -11.600 10.680 7.357 1.00 0.00 C ATOM 109 OE1 GLU A 8 -11.989 10.038 8.354 1.00 0.00 O ATOM 110 OE2 GLU A 8 -10.517 11.302 7.332 1.00 0.00 O ATOM 0 H GLU A 8 -12.462 11.408 3.759 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.830 8.615 3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.543 8.581 5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.249 9.374 4.982 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.244 11.587 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.521 10.785 6.424 1.00 0.00 H new ATOM 117 N ASN A 9 -15.160 8.096 3.933 1.00 0.00 N ATOM 118 CA ASN A 9 -16.572 7.799 4.147 1.00 0.00 C ATOM 119 C ASN A 9 -16.799 6.321 4.420 1.00 0.00 C ATOM 120 O ASN A 9 -17.939 5.872 4.529 1.00 0.00 O ATOM 121 CB ASN A 9 -17.404 8.223 2.928 1.00 0.00 C ATOM 122 CG ASN A 9 -17.066 7.425 1.675 1.00 0.00 C ATOM 123 OD1 ASN A 9 -15.922 7.022 1.459 1.00 0.00 O ATOM 124 ND2 ASN A 9 -18.067 7.178 0.846 1.00 0.00 N ATOM 0 H ASN A 9 -14.640 7.357 3.461 1.00 0.00 H new ATOM 0 HA ASN A 9 -16.890 8.366 5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -18.463 8.101 3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.240 9.283 2.733 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -17.904 6.638 -0.004 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.002 7.527 1.057 1.00 0.00 H new ATOM 131 N SER A 10 -15.723 5.564 4.537 1.00 0.00 N ATOM 132 CA SER A 10 -15.833 4.127 4.735 1.00 0.00 C ATOM 133 C SER A 10 -14.599 3.559 5.420 1.00 0.00 C ATOM 134 O SER A 10 -13.500 3.603 4.874 1.00 0.00 O ATOM 135 CB SER A 10 -16.055 3.415 3.394 1.00 0.00 C ATOM 136 OG SER A 10 -17.263 3.845 2.782 1.00 0.00 O ATOM 0 H SER A 10 -14.767 5.916 4.499 1.00 0.00 H new ATOM 0 HA SER A 10 -16.692 3.953 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.215 3.615 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.087 2.337 3.552 1.00 0.00 H new ATOM 0 HG SER A 10 -17.381 3.378 1.928 1.00 0.00 H new ATOM 142 N VAL A 11 -14.784 3.032 6.621 1.00 0.00 N ATOM 143 CA VAL A 11 -13.717 2.325 7.307 1.00 0.00 C ATOM 144 C VAL A 11 -13.602 0.904 6.761 1.00 0.00 C ATOM 145 O VAL A 11 -14.241 -0.026 7.249 1.00 0.00 O ATOM 146 CB VAL A 11 -13.922 2.303 8.841 1.00 0.00 C ATOM 147 CG1 VAL A 11 -13.572 3.656 9.442 1.00 0.00 C ATOM 148 CG2 VAL A 11 -15.354 1.924 9.203 1.00 0.00 C ATOM 0 H VAL A 11 -15.662 3.081 7.139 1.00 0.00 H new ATOM 0 HA VAL A 11 -12.788 2.863 7.118 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.256 1.546 9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.721 3.624 10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.530 3.891 9.227 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.214 4.423 9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -15.466 1.917 10.287 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.043 2.650 8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.579 0.933 8.809 1.00 0.00 H new ATOM 158 N ALA A 12 -12.806 0.755 5.711 1.00 0.00 N ATOM 159 CA ALA A 12 -12.658 -0.529 5.040 1.00 0.00 C ATOM 160 C ALA A 12 -11.802 -1.483 5.858 1.00 0.00 C ATOM 161 O ALA A 12 -11.788 -2.686 5.593 1.00 0.00 O ATOM 162 CB ALA A 12 -12.060 -0.343 3.654 1.00 0.00 C ATOM 0 H ALA A 12 -12.252 1.509 5.305 1.00 0.00 H new ATOM 0 HA ALA A 12 -13.651 -0.967 4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.957 -1.314 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.714 0.293 3.058 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.079 0.125 3.741 1.00 0.00 H new ATOM 168 N LYS A 13 -11.087 -0.930 6.836 1.00 0.00 N ATOM 169 CA LYS A 13 -10.240 -1.708 7.738 1.00 0.00 C ATOM 170 C LYS A 13 -9.257 -2.568 6.943 1.00 0.00 C ATOM 171 O LYS A 13 -9.418 -3.783 6.818 1.00 0.00 O ATOM 172 CB LYS A 13 -11.099 -2.569 8.675 1.00 0.00 C ATOM 173 CG LYS A 13 -10.390 -2.985 9.955 1.00 0.00 C ATOM 174 CD LYS A 13 -11.356 -3.649 10.924 1.00 0.00 C ATOM 175 CE LYS A 13 -10.779 -3.738 12.329 1.00 0.00 C ATOM 176 NZ LYS A 13 -9.671 -4.726 12.436 1.00 0.00 N ATOM 0 H LYS A 13 -11.079 0.072 7.026 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.661 -1.019 8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.001 -2.016 8.935 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.417 -3.464 8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.578 -3.672 9.718 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.941 -2.111 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.289 -3.086 10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.598 -4.650 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.414 -2.756 12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.572 -4.011 13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.419 -4.858 13.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.976 -5.635 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.843 -4.377 11.913 1.00 0.00 H new ATOM 190 N LYS A 14 -8.269 -1.908 6.361 1.00 0.00 N ATOM 191 CA LYS A 14 -7.248 -2.576 5.570 1.00 0.00 C ATOM 192 C LYS A 14 -5.879 -2.121 6.034 1.00 0.00 C ATOM 193 O LYS A 14 -5.708 -0.955 6.379 1.00 0.00 O ATOM 194 CB LYS A 14 -7.433 -2.268 4.082 1.00 0.00 C ATOM 195 CG LYS A 14 -8.722 -2.824 3.493 1.00 0.00 C ATOM 196 CD LYS A 14 -8.699 -4.345 3.430 1.00 0.00 C ATOM 197 CE LYS A 14 -10.029 -4.904 2.957 1.00 0.00 C ATOM 198 NZ LYS A 14 -11.105 -4.713 3.966 1.00 0.00 N ATOM 0 H LYS A 14 -8.152 -0.897 6.423 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.338 -3.654 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.416 -1.187 3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.587 -2.675 3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.569 -2.497 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.869 -2.420 2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.906 -4.670 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.464 -4.747 4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.316 -4.417 2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.919 -5.967 2.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.028 -4.919 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.948 -5.357 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.093 -3.730 4.304 1.00 0.00 H new ATOM 212 N GLU A 15 -4.921 -3.048 6.064 1.00 0.00 N ATOM 213 CA GLU A 15 -3.570 -2.753 6.535 1.00 0.00 C ATOM 214 C GLU A 15 -3.562 -2.487 8.035 1.00 0.00 C ATOM 215 O GLU A 15 -2.600 -1.935 8.572 1.00 0.00 O ATOM 216 CB GLU A 15 -2.975 -1.557 5.781 1.00 0.00 C ATOM 217 CG GLU A 15 -2.414 -1.918 4.422 1.00 0.00 C ATOM 218 CD GLU A 15 -1.142 -2.728 4.540 1.00 0.00 C ATOM 219 OE1 GLU A 15 -0.124 -2.168 4.996 1.00 0.00 O ATOM 220 OE2 GLU A 15 -1.156 -3.928 4.204 1.00 0.00 O ATOM 0 H GLU A 15 -5.058 -4.014 5.766 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.951 -3.628 6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.746 -0.796 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.184 -1.114 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.156 -2.486 3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.215 -1.008 3.857 1.00 0.00 H new ATOM 227 N ASP A 16 -4.621 -2.931 8.708 1.00 0.00 N ATOM 228 CA ASP A 16 -4.780 -2.722 10.143 1.00 0.00 C ATOM 229 C ASP A 16 -3.888 -3.678 10.934 1.00 0.00 C ATOM 230 O ASP A 16 -3.839 -3.623 12.161 1.00 0.00 O ATOM 231 CB ASP A 16 -6.247 -2.897 10.550 1.00 0.00 C ATOM 232 CG ASP A 16 -6.768 -4.296 10.292 1.00 0.00 C ATOM 233 OD1 ASP A 16 -6.678 -4.767 9.139 1.00 0.00 O ATOM 234 OD2 ASP A 16 -7.288 -4.922 11.238 1.00 0.00 O ATOM 0 H ASP A 16 -5.389 -3.444 8.275 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.474 -1.702 10.375 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.355 -2.664 11.609 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.859 -2.180 10.002 1.00 0.00 H new ATOM 239 N LYS A 17 -3.208 -4.564 10.203 1.00 0.00 N ATOM 240 CA LYS A 17 -2.149 -5.414 10.753 1.00 0.00 C ATOM 241 C LYS A 17 -2.684 -6.480 11.711 1.00 0.00 C ATOM 242 O LYS A 17 -2.868 -6.229 12.901 1.00 0.00 O ATOM 243 CB LYS A 17 -1.083 -4.559 11.456 1.00 0.00 C ATOM 244 CG LYS A 17 -0.396 -3.560 10.536 1.00 0.00 C ATOM 245 CD LYS A 17 0.548 -4.246 9.560 1.00 0.00 C ATOM 246 CE LYS A 17 1.072 -3.275 8.512 1.00 0.00 C ATOM 247 NZ LYS A 17 0.009 -2.865 7.558 1.00 0.00 N ATOM 0 H LYS A 17 -3.377 -4.713 9.208 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.698 -5.937 9.910 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.549 -4.019 12.281 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.330 -5.217 11.890 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.149 -3.000 9.981 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.161 -2.839 11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.386 -4.679 10.107 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.029 -5.068 9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.478 -2.392 9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.892 -3.739 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.445 -2.527 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.605 -3.679 7.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.559 -2.101 7.978 1.00 0.00 H new ATOM 261 N VAL A 18 -2.931 -7.672 11.178 1.00 0.00 N ATOM 262 CA VAL A 18 -3.275 -8.827 12.005 1.00 0.00 C ATOM 263 C VAL A 18 -2.337 -9.994 11.669 1.00 0.00 C ATOM 264 O VAL A 18 -2.725 -10.948 10.989 1.00 0.00 O ATOM 265 CB VAL A 18 -4.746 -9.272 11.811 1.00 0.00 C ATOM 266 CG1 VAL A 18 -5.121 -10.348 12.821 1.00 0.00 C ATOM 267 CG2 VAL A 18 -5.695 -8.088 11.921 1.00 0.00 C ATOM 0 H VAL A 18 -2.900 -7.865 10.177 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.157 -8.532 13.048 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.839 -9.690 10.809 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.158 -10.646 12.667 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.471 -11.213 12.689 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.002 -9.956 13.831 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -6.721 -8.429 11.781 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.596 -7.632 12.906 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.450 -7.353 11.155 1.00 0.00 H new ATOM 277 N PRO A 19 -1.066 -9.908 12.096 1.00 0.00 N ATOM 278 CA PRO A 19 -0.055 -10.898 11.788 1.00 0.00 C ATOM 279 C PRO A 19 0.147 -11.909 12.913 1.00 0.00 C ATOM 280 O PRO A 19 0.782 -11.615 13.924 1.00 0.00 O ATOM 281 CB PRO A 19 1.196 -10.031 11.609 1.00 0.00 C ATOM 282 CG PRO A 19 0.940 -8.772 12.396 1.00 0.00 C ATOM 283 CD PRO A 19 -0.485 -8.830 12.898 1.00 0.00 C ATOM 0 HA PRO A 19 -0.315 -11.508 10.923 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.084 -10.546 11.974 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.368 -9.806 10.557 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.637 -8.693 13.230 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.090 -7.892 11.771 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.530 -9.050 13.965 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.007 -7.885 12.745 1.00 0.00 H new ATOM 291 N VAL A 20 -0.407 -13.100 12.740 1.00 0.00 N ATOM 292 CA VAL A 20 -0.263 -14.148 13.733 1.00 0.00 C ATOM 293 C VAL A 20 0.250 -15.428 13.080 1.00 0.00 C ATOM 294 O VAL A 20 -0.508 -16.368 12.845 1.00 0.00 O ATOM 295 CB VAL A 20 -1.590 -14.446 14.472 1.00 0.00 C ATOM 296 CG1 VAL A 20 -1.358 -15.379 15.655 1.00 0.00 C ATOM 297 CG2 VAL A 20 -2.257 -13.161 14.936 1.00 0.00 C ATOM 0 H VAL A 20 -0.958 -13.362 11.923 1.00 0.00 H new ATOM 0 HA VAL A 20 0.456 -13.790 14.469 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.256 -14.943 13.767 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.306 -15.573 16.157 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.937 -16.319 15.300 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.665 -14.913 16.355 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.187 -13.400 15.452 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.591 -12.630 15.616 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.472 -12.531 14.073 1.00 0.00 H new ATOM 307 N LYS A 21 1.533 -15.429 12.740 1.00 0.00 N ATOM 308 CA LYS A 21 2.189 -16.604 12.170 1.00 0.00 C ATOM 309 C LYS A 21 3.679 -16.596 12.498 1.00 0.00 C ATOM 310 O LYS A 21 4.098 -17.127 13.523 1.00 0.00 O ATOM 311 CB LYS A 21 2.016 -16.660 10.645 1.00 0.00 C ATOM 312 CG LYS A 21 0.688 -17.234 10.176 1.00 0.00 C ATOM 313 CD LYS A 21 0.595 -17.235 8.657 1.00 0.00 C ATOM 314 CE LYS A 21 -0.617 -18.009 8.165 1.00 0.00 C ATOM 315 NZ LYS A 21 -0.589 -19.428 8.609 1.00 0.00 N ATOM 0 H LYS A 21 2.147 -14.622 12.850 1.00 0.00 H new ATOM 0 HA LYS A 21 1.717 -17.482 12.611 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.122 -15.652 10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.824 -17.258 10.223 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.576 -18.251 10.551 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.132 -16.649 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.541 -16.208 8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.501 -17.673 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.526 -17.532 8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.655 -17.970 7.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.241 -19.988 8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.376 -19.804 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.882 -19.486 9.605 1.00 0.00 H new ATOM 329 N LYS A 22 4.457 -15.936 11.638 1.00 0.00 N ATOM 330 CA LYS A 22 5.905 -15.851 11.754 1.00 0.00 C ATOM 331 C LYS A 22 6.378 -14.700 10.887 1.00 0.00 C ATOM 332 O LYS A 22 5.804 -14.443 9.830 1.00 0.00 O ATOM 333 CB LYS A 22 6.604 -17.146 11.293 1.00 0.00 C ATOM 334 CG LYS A 22 6.473 -18.319 12.254 1.00 0.00 C ATOM 335 CD LYS A 22 7.079 -18.000 13.613 1.00 0.00 C ATOM 336 CE LYS A 22 6.786 -19.095 14.623 1.00 0.00 C ATOM 337 NZ LYS A 22 7.277 -18.744 15.979 1.00 0.00 N ATOM 0 H LYS A 22 4.087 -15.438 10.828 1.00 0.00 H new ATOM 0 HA LYS A 22 6.159 -15.697 12.803 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.194 -17.439 10.326 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.663 -16.936 11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.420 -18.575 12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.967 -19.194 11.831 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.157 -17.876 13.512 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.682 -17.052 13.976 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.712 -19.275 14.661 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.254 -20.024 14.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.057 -19.517 16.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.306 -18.597 15.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.812 -17.871 16.301 1.00 0.00 H new ATOM 351 N GLN A 23 7.406 -14.011 11.332 1.00 0.00 N ATOM 352 CA GLN A 23 7.971 -12.892 10.583 1.00 0.00 C ATOM 353 C GLN A 23 8.874 -13.385 9.442 1.00 0.00 C ATOM 354 O GLN A 23 9.890 -12.768 9.123 1.00 0.00 O ATOM 355 CB GLN A 23 8.749 -11.944 11.517 1.00 0.00 C ATOM 356 CG GLN A 23 10.029 -12.526 12.122 1.00 0.00 C ATOM 357 CD GLN A 23 9.809 -13.333 13.397 1.00 0.00 C ATOM 358 OE1 GLN A 23 8.774 -13.974 13.585 1.00 0.00 O ATOM 359 NE2 GLN A 23 10.788 -13.301 14.288 1.00 0.00 N ATOM 0 H GLN A 23 7.877 -14.203 12.216 1.00 0.00 H new ATOM 0 HA GLN A 23 7.143 -12.338 10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.007 -11.043 10.960 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.089 -11.639 12.329 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.510 -13.164 11.381 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.719 -11.710 12.337 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.632 -12.760 14.099 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.698 -13.818 15.163 1.00 0.00 H new ATOM 368 N LYS A 24 8.475 -14.479 8.805 1.00 0.00 N ATOM 369 CA LYS A 24 9.257 -15.060 7.723 1.00 0.00 C ATOM 370 C LYS A 24 9.041 -14.286 6.423 1.00 0.00 C ATOM 371 O LYS A 24 7.972 -14.348 5.814 1.00 0.00 O ATOM 372 CB LYS A 24 8.914 -16.548 7.537 1.00 0.00 C ATOM 373 CG LYS A 24 7.434 -16.832 7.316 1.00 0.00 C ATOM 374 CD LYS A 24 7.190 -18.299 6.988 1.00 0.00 C ATOM 375 CE LYS A 24 5.724 -18.563 6.690 1.00 0.00 C ATOM 376 NZ LYS A 24 5.469 -19.976 6.304 1.00 0.00 N ATOM 0 H LYS A 24 7.614 -14.981 9.020 1.00 0.00 H new ATOM 0 HA LYS A 24 10.311 -14.988 7.990 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.476 -16.934 6.686 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.249 -17.098 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.873 -16.560 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.060 -16.209 6.503 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.795 -18.587 6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.510 -18.919 7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.127 -18.316 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.395 -17.905 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.455 -20.106 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.016 -20.207 5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.757 -20.605 7.080 1.00 0.00 H new ATOM 390 N THR A 25 10.055 -13.539 6.020 1.00 0.00 N ATOM 391 CA THR A 25 10.007 -12.778 4.786 1.00 0.00 C ATOM 392 C THR A 25 11.421 -12.389 4.370 1.00 0.00 C ATOM 393 O THR A 25 12.366 -12.525 5.153 1.00 0.00 O ATOM 394 CB THR A 25 9.125 -11.508 4.933 1.00 0.00 C ATOM 395 OG1 THR A 25 8.988 -10.835 3.671 1.00 0.00 O ATOM 396 CG2 THR A 25 9.716 -10.550 5.956 1.00 0.00 C ATOM 0 H THR A 25 10.929 -13.444 6.537 1.00 0.00 H new ATOM 0 HA THR A 25 9.557 -13.405 4.016 1.00 0.00 H new ATOM 0 HB THR A 25 8.141 -11.829 5.276 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.474 -9.985 3.699 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.079 -9.669 6.040 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.779 -11.046 6.925 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.714 -10.248 5.638 1.00 0.00 H new ATOM 404 N ARG A 26 11.570 -11.935 3.139 1.00 0.00 N ATOM 405 CA ARG A 26 12.861 -11.481 2.652 1.00 0.00 C ATOM 406 C ARG A 26 12.815 -9.994 2.344 1.00 0.00 C ATOM 407 O ARG A 26 13.614 -9.218 2.868 1.00 0.00 O ATOM 408 CB ARG A 26 13.287 -12.281 1.421 1.00 0.00 C ATOM 409 CG ARG A 26 13.623 -13.725 1.742 1.00 0.00 C ATOM 410 CD ARG A 26 14.112 -14.479 0.519 1.00 0.00 C ATOM 411 NE ARG A 26 14.618 -15.802 0.875 1.00 0.00 N ATOM 412 CZ ARG A 26 15.392 -16.545 0.089 1.00 0.00 C ATOM 413 NH1 ARG A 26 15.725 -16.118 -1.123 1.00 0.00 N ATOM 414 NH2 ARG A 26 15.833 -17.719 0.523 1.00 0.00 N ATOM 0 H ARG A 26 10.814 -11.871 2.458 1.00 0.00 H new ATOM 0 HA ARG A 26 13.604 -11.647 3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.486 -12.255 0.682 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.155 -11.804 0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.389 -13.756 2.517 1.00 0.00 H new ATOM 0 HG3 ARG A 26 12.741 -14.222 2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 26 13.297 -14.580 -0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.899 -13.907 0.028 1.00 0.00 H new ATOM 0 HE ARG A 26 14.361 -16.181 1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.387 -15.215 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.319 -16.693 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 26 15.578 -18.047 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.427 -18.293 -0.075 1.00 0.00 H new ATOM 428 N THR A 27 11.880 -9.595 1.500 1.00 0.00 N ATOM 429 CA THR A 27 11.683 -8.188 1.217 1.00 0.00 C ATOM 430 C THR A 27 10.817 -7.564 2.300 1.00 0.00 C ATOM 431 O THR A 27 10.115 -8.269 3.032 1.00 0.00 O ATOM 432 CB THR A 27 11.008 -7.973 -0.144 1.00 0.00 C ATOM 433 OG1 THR A 27 11.154 -9.152 -0.948 1.00 0.00 O ATOM 434 CG2 THR A 27 11.618 -6.785 -0.871 1.00 0.00 C ATOM 0 H THR A 27 11.249 -10.223 1.002 1.00 0.00 H new ATOM 0 HA THR A 27 12.665 -7.715 1.194 1.00 0.00 H new ATOM 0 HB THR A 27 9.951 -7.770 0.026 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.720 -9.012 -1.816 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.122 -6.654 -1.833 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.488 -5.885 -0.270 1.00 0.00 H new ATOM 0 HG23 THR A 27 12.681 -6.964 -1.032 1.00 0.00 H new ATOM 442 N VAL A 28 10.857 -6.248 2.385 1.00 0.00 N ATOM 443 CA VAL A 28 10.151 -5.521 3.433 1.00 0.00 C ATOM 444 C VAL A 28 9.626 -4.195 2.901 1.00 0.00 C ATOM 445 O VAL A 28 10.035 -3.743 1.831 1.00 0.00 O ATOM 446 CB VAL A 28 11.054 -5.237 4.661 1.00 0.00 C ATOM 447 CG1 VAL A 28 11.400 -6.522 5.401 1.00 0.00 C ATOM 448 CG2 VAL A 28 12.324 -4.499 4.246 1.00 0.00 C ATOM 0 H VAL A 28 11.374 -5.653 1.737 1.00 0.00 H new ATOM 0 HA VAL A 28 9.324 -6.157 3.749 1.00 0.00 H new ATOM 0 HB VAL A 28 10.492 -4.597 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.034 -6.290 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.484 -7.000 5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.930 -7.197 4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.940 -4.312 5.126 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.882 -5.107 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.058 -3.550 3.781 1.00 0.00 H new ATOM 458 N PHE A 29 8.724 -3.581 3.652 1.00 0.00 N ATOM 459 CA PHE A 29 8.200 -2.275 3.311 1.00 0.00 C ATOM 460 C PHE A 29 8.709 -1.245 4.307 1.00 0.00 C ATOM 461 O PHE A 29 9.109 -1.595 5.420 1.00 0.00 O ATOM 462 CB PHE A 29 6.672 -2.300 3.316 1.00 0.00 C ATOM 463 CG PHE A 29 6.073 -3.109 2.197 1.00 0.00 C ATOM 464 CD1 PHE A 29 5.843 -2.533 0.957 1.00 0.00 C ATOM 465 CD2 PHE A 29 5.742 -4.439 2.386 1.00 0.00 C ATOM 466 CE1 PHE A 29 5.296 -3.271 -0.074 1.00 0.00 C ATOM 467 CE2 PHE A 29 5.193 -5.183 1.358 1.00 0.00 C ATOM 468 CZ PHE A 29 4.970 -4.598 0.127 1.00 0.00 C ATOM 0 H PHE A 29 8.339 -3.975 4.510 1.00 0.00 H new ATOM 0 HA PHE A 29 8.539 -2.005 2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.328 -2.704 4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.301 -1.277 3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.095 -1.495 0.796 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.914 -4.901 3.347 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.123 -2.811 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.939 -6.220 1.517 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.541 -5.177 -0.677 1.00 0.00 H new ATOM 478 N SER A 30 8.702 0.014 3.914 1.00 0.00 N ATOM 479 CA SER A 30 9.149 1.074 4.792 1.00 0.00 C ATOM 480 C SER A 30 7.980 1.549 5.643 1.00 0.00 C ATOM 481 O SER A 30 6.818 1.388 5.252 1.00 0.00 O ATOM 482 CB SER A 30 9.728 2.234 3.976 1.00 0.00 C ATOM 483 OG SER A 30 10.413 3.155 4.807 1.00 0.00 O ATOM 0 H SER A 30 8.392 0.326 2.994 1.00 0.00 H new ATOM 0 HA SER A 30 9.935 0.695 5.445 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.410 1.845 3.220 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.924 2.746 3.447 1.00 0.00 H new ATOM 0 HG SER A 30 10.773 3.884 4.260 1.00 0.00 H new ATOM 489 N SER A 31 8.289 2.123 6.798 1.00 0.00 N ATOM 490 CA SER A 31 7.275 2.622 7.714 1.00 0.00 C ATOM 491 C SER A 31 6.370 3.634 7.019 1.00 0.00 C ATOM 492 O SER A 31 5.156 3.625 7.211 1.00 0.00 O ATOM 493 CB SER A 31 7.952 3.250 8.930 1.00 0.00 C ATOM 494 OG SER A 31 9.044 4.063 8.530 1.00 0.00 O ATOM 0 H SER A 31 9.246 2.255 7.125 1.00 0.00 H new ATOM 0 HA SER A 31 6.653 1.790 8.043 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.230 3.849 9.486 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.302 2.467 9.603 1.00 0.00 H new ATOM 0 HG SER A 31 9.465 4.459 9.322 1.00 0.00 H new ATOM 500 N THR A 32 6.970 4.483 6.188 1.00 0.00 N ATOM 501 CA THR A 32 6.230 5.484 5.434 1.00 0.00 C ATOM 502 C THR A 32 5.184 4.832 4.535 1.00 0.00 C ATOM 503 O THR A 32 4.018 5.233 4.531 1.00 0.00 O ATOM 504 CB THR A 32 7.187 6.332 4.580 1.00 0.00 C ATOM 505 OG1 THR A 32 8.148 5.476 3.942 1.00 0.00 O ATOM 506 CG2 THR A 32 7.901 7.370 5.432 1.00 0.00 C ATOM 0 H THR A 32 7.976 4.495 6.021 1.00 0.00 H new ATOM 0 HA THR A 32 5.721 6.129 6.151 1.00 0.00 H new ATOM 0 HB THR A 32 6.605 6.857 3.822 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.757 6.017 3.397 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.572 7.957 4.804 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.166 8.030 5.893 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.477 6.869 6.210 1.00 0.00 H new ATOM 514 N GLN A 33 5.607 3.809 3.797 1.00 0.00 N ATOM 515 CA GLN A 33 4.713 3.080 2.902 1.00 0.00 C ATOM 516 C GLN A 33 3.532 2.511 3.674 1.00 0.00 C ATOM 517 O GLN A 33 2.377 2.681 3.282 1.00 0.00 O ATOM 518 CB GLN A 33 5.464 1.946 2.200 1.00 0.00 C ATOM 519 CG GLN A 33 6.656 2.408 1.381 1.00 0.00 C ATOM 520 CD GLN A 33 7.338 1.257 0.672 1.00 0.00 C ATOM 521 OE1 GLN A 33 8.237 0.622 1.219 1.00 0.00 O ATOM 522 NE2 GLN A 33 6.909 0.978 -0.546 1.00 0.00 N ATOM 0 H GLN A 33 6.567 3.465 3.802 1.00 0.00 H new ATOM 0 HA GLN A 33 4.342 3.778 2.151 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.806 1.232 2.949 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.771 1.415 1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.328 3.143 0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.372 2.907 2.033 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.160 1.531 -0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.327 0.209 -1.070 1.00 0.00 H new ATOM 531 N LEU A 34 3.832 1.857 4.787 1.00 0.00 N ATOM 532 CA LEU A 34 2.802 1.243 5.614 1.00 0.00 C ATOM 533 C LEU A 34 1.849 2.289 6.197 1.00 0.00 C ATOM 534 O LEU A 34 0.676 2.002 6.433 1.00 0.00 O ATOM 535 CB LEU A 34 3.442 0.430 6.741 1.00 0.00 C ATOM 536 CG LEU A 34 4.326 -0.734 6.281 1.00 0.00 C ATOM 537 CD1 LEU A 34 4.965 -1.426 7.475 1.00 0.00 C ATOM 538 CD2 LEU A 34 3.516 -1.727 5.457 1.00 0.00 C ATOM 0 H LEU A 34 4.782 1.738 5.139 1.00 0.00 H new ATOM 0 HA LEU A 34 2.219 0.578 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.042 1.100 7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.651 0.035 7.378 1.00 0.00 H new ATOM 0 HG LEU A 34 5.121 -0.333 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.589 -2.250 7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.579 -0.712 8.023 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.186 -1.813 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.160 -2.547 5.139 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.699 -2.121 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.108 -1.225 4.580 1.00 0.00 H new ATOM 550 N CYS A 35 2.351 3.496 6.428 1.00 0.00 N ATOM 551 CA CYS A 35 1.524 4.569 6.966 1.00 0.00 C ATOM 552 C CYS A 35 0.585 5.126 5.898 1.00 0.00 C ATOM 553 O CYS A 35 -0.608 5.296 6.145 1.00 0.00 O ATOM 554 CB CYS A 35 2.394 5.692 7.540 1.00 0.00 C ATOM 555 SG CYS A 35 3.433 5.182 8.929 1.00 0.00 S ATOM 0 H CYS A 35 3.322 3.756 6.252 1.00 0.00 H new ATOM 0 HA CYS A 35 0.920 4.150 7.771 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.032 6.084 6.748 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.748 6.508 7.863 1.00 0.00 H new ATOM 0 HG CYS A 35 4.422 4.462 8.490 1.00 0.00 H new ATOM 561 N VAL A 36 1.120 5.390 4.710 1.00 0.00 N ATOM 562 CA VAL A 36 0.329 5.966 3.624 1.00 0.00 C ATOM 563 C VAL A 36 -0.769 5.001 3.174 1.00 0.00 C ATOM 564 O VAL A 36 -1.905 5.415 2.918 1.00 0.00 O ATOM 565 CB VAL A 36 1.209 6.355 2.415 1.00 0.00 C ATOM 566 CG1 VAL A 36 0.368 6.994 1.317 1.00 0.00 C ATOM 567 CG2 VAL A 36 2.316 7.302 2.849 1.00 0.00 C ATOM 0 H VAL A 36 2.097 5.215 4.473 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.132 6.873 4.015 1.00 0.00 H new ATOM 0 HB VAL A 36 1.661 5.447 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.009 7.260 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.393 6.288 0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.114 7.892 1.704 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.927 7.567 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.877 8.205 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.939 6.814 3.599 1.00 0.00 H new ATOM 577 N LEU A 37 -0.433 3.715 3.090 1.00 0.00 N ATOM 578 CA LEU A 37 -1.414 2.693 2.729 1.00 0.00 C ATOM 579 C LEU A 37 -2.509 2.615 3.789 1.00 0.00 C ATOM 580 O LEU A 37 -3.696 2.555 3.471 1.00 0.00 O ATOM 581 CB LEU A 37 -0.742 1.323 2.568 1.00 0.00 C ATOM 582 CG LEU A 37 0.285 1.221 1.438 1.00 0.00 C ATOM 583 CD1 LEU A 37 0.899 -0.170 1.408 1.00 0.00 C ATOM 584 CD2 LEU A 37 -0.358 1.542 0.099 1.00 0.00 C ATOM 0 H LEU A 37 0.506 3.357 3.266 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.860 2.972 1.775 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.250 1.067 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.517 0.575 2.400 1.00 0.00 H new ATOM 0 HG LEU A 37 1.075 1.949 1.624 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.628 -0.229 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.394 -0.370 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.116 -0.910 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.389 1.464 -0.691 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.166 0.837 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.758 2.556 0.121 1.00 0.00 H new ATOM 596 N ASN A 38 -2.092 2.652 5.051 1.00 0.00 N ATOM 597 CA ASN A 38 -3.008 2.585 6.186 1.00 0.00 C ATOM 598 C ASN A 38 -3.969 3.768 6.167 1.00 0.00 C ATOM 599 O ASN A 38 -5.175 3.614 6.363 1.00 0.00 O ATOM 600 CB ASN A 38 -2.203 2.588 7.489 1.00 0.00 C ATOM 601 CG ASN A 38 -3.068 2.550 8.734 1.00 0.00 C ATOM 602 OD1 ASN A 38 -4.146 1.968 8.739 1.00 0.00 O ATOM 603 ND2 ASN A 38 -2.595 3.177 9.803 1.00 0.00 N ATOM 0 H ASN A 38 -1.110 2.729 5.316 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.591 1.666 6.118 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.533 1.728 7.495 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.577 3.480 7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.134 3.186 10.669 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.693 3.650 9.759 1.00 0.00 H new ATOM 610 N ASP A 39 -3.417 4.943 5.904 1.00 0.00 N ATOM 611 CA ASP A 39 -4.180 6.185 5.899 1.00 0.00 C ATOM 612 C ASP A 39 -5.293 6.144 4.861 1.00 0.00 C ATOM 613 O ASP A 39 -6.430 6.522 5.132 1.00 0.00 O ATOM 614 CB ASP A 39 -3.245 7.363 5.610 1.00 0.00 C ATOM 615 CG ASP A 39 -3.975 8.684 5.471 1.00 0.00 C ATOM 616 OD1 ASP A 39 -4.563 8.938 4.397 1.00 0.00 O ATOM 617 OD2 ASP A 39 -3.952 9.485 6.429 1.00 0.00 O ATOM 0 H ASP A 39 -2.428 5.064 5.688 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.636 6.309 6.881 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.513 7.443 6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.692 7.163 4.693 1.00 0.00 H new ATOM 622 N ARG A 40 -4.952 5.675 3.673 1.00 0.00 N ATOM 623 CA ARG A 40 -5.881 5.671 2.556 1.00 0.00 C ATOM 624 C ARG A 40 -6.899 4.543 2.679 1.00 0.00 C ATOM 625 O ARG A 40 -8.103 4.773 2.607 1.00 0.00 O ATOM 626 CB ARG A 40 -5.127 5.554 1.228 1.00 0.00 C ATOM 627 CG ARG A 40 -4.800 6.893 0.569 1.00 0.00 C ATOM 628 CD ARG A 40 -3.866 7.750 1.410 1.00 0.00 C ATOM 629 NE ARG A 40 -3.441 8.948 0.682 1.00 0.00 N ATOM 630 CZ ARG A 40 -3.132 10.113 1.253 1.00 0.00 C ATOM 631 NH1 ARG A 40 -3.233 10.274 2.566 1.00 0.00 N ATOM 632 NH2 ARG A 40 -2.755 11.131 0.495 1.00 0.00 N ATOM 0 H ARG A 40 -4.033 5.290 3.456 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.421 6.618 2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.198 5.010 1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.723 4.958 0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.343 6.712 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.725 7.440 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.369 8.042 2.332 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.991 7.166 1.695 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.377 8.887 -0.334 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.550 9.501 3.152 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.993 11.170 2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.703 11.021 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.517 12.025 0.924 1.00 0.00 H new ATOM 646 N PHE A 41 -6.410 3.331 2.891 1.00 0.00 N ATOM 647 CA PHE A 41 -7.250 2.139 2.827 1.00 0.00 C ATOM 648 C PHE A 41 -8.194 1.996 4.016 1.00 0.00 C ATOM 649 O PHE A 41 -9.179 1.266 3.934 1.00 0.00 O ATOM 650 CB PHE A 41 -6.387 0.895 2.673 1.00 0.00 C ATOM 651 CG PHE A 41 -5.831 0.790 1.289 1.00 0.00 C ATOM 652 CD1 PHE A 41 -6.691 0.825 0.210 1.00 0.00 C ATOM 653 CD2 PHE A 41 -4.472 0.684 1.062 1.00 0.00 C ATOM 654 CE1 PHE A 41 -6.212 0.755 -1.072 1.00 0.00 C ATOM 655 CE2 PHE A 41 -3.983 0.609 -0.228 1.00 0.00 C ATOM 656 CZ PHE A 41 -4.857 0.644 -1.298 1.00 0.00 C ATOM 0 H PHE A 41 -5.432 3.144 3.110 1.00 0.00 H new ATOM 0 HA PHE A 41 -7.886 2.254 1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.570 0.924 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.979 0.008 2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.755 0.909 0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.788 0.660 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.897 0.787 -1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.920 0.523 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.479 0.585 -2.308 1.00 0.00 H new ATOM 666 N GLN A 42 -7.901 2.654 5.127 1.00 0.00 N ATOM 667 CA GLN A 42 -8.803 2.572 6.277 1.00 0.00 C ATOM 668 C GLN A 42 -9.805 3.722 6.300 1.00 0.00 C ATOM 669 O GLN A 42 -10.733 3.727 7.108 1.00 0.00 O ATOM 670 CB GLN A 42 -8.044 2.494 7.604 1.00 0.00 C ATOM 671 CG GLN A 42 -7.464 1.118 7.875 1.00 0.00 C ATOM 672 CD GLN A 42 -7.432 0.766 9.349 1.00 0.00 C ATOM 673 OE1 GLN A 42 -8.392 0.213 9.888 1.00 0.00 O ATOM 674 NE2 GLN A 42 -6.327 1.066 10.007 1.00 0.00 N ATOM 0 H GLN A 42 -7.074 3.235 5.261 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.360 1.643 6.159 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.238 3.228 7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.717 2.765 8.418 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.052 0.371 7.342 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.451 1.072 7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.554 1.524 9.524 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.246 0.840 10.998 1.00 0.00 H new ATOM 683 N ARG A 43 -9.621 4.695 5.420 1.00 0.00 N ATOM 684 CA ARG A 43 -10.549 5.815 5.331 1.00 0.00 C ATOM 685 C ARG A 43 -11.364 5.755 4.042 1.00 0.00 C ATOM 686 O ARG A 43 -12.476 6.291 3.965 1.00 0.00 O ATOM 687 CB ARG A 43 -9.795 7.139 5.425 1.00 0.00 C ATOM 688 CG ARG A 43 -9.036 7.298 6.730 1.00 0.00 C ATOM 689 CD ARG A 43 -8.555 8.724 6.927 1.00 0.00 C ATOM 690 NE ARG A 43 -7.591 9.122 5.906 1.00 0.00 N ATOM 691 CZ ARG A 43 -7.510 10.352 5.403 1.00 0.00 C ATOM 692 NH1 ARG A 43 -8.367 11.291 5.781 1.00 0.00 N ATOM 693 NH2 ARG A 43 -6.566 10.642 4.520 1.00 0.00 N ATOM 0 H ARG A 43 -8.843 4.733 4.761 1.00 0.00 H new ATOM 0 HA ARG A 43 -11.242 5.746 6.169 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.095 7.212 4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.502 7.962 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.679 7.012 7.563 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.182 6.621 6.740 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.409 9.401 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.100 8.820 7.913 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.942 8.417 5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.095 11.073 6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.298 12.231 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.904 9.924 4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.502 11.584 4.133 1.00 0.00 H new ATOM 707 N GLN A 44 -10.813 5.102 3.029 1.00 0.00 N ATOM 708 CA GLN A 44 -11.508 4.923 1.764 1.00 0.00 C ATOM 709 C GLN A 44 -11.841 3.448 1.570 1.00 0.00 C ATOM 710 O GLN A 44 -11.368 2.600 2.322 1.00 0.00 O ATOM 711 CB GLN A 44 -10.642 5.412 0.598 1.00 0.00 C ATOM 712 CG GLN A 44 -10.122 6.841 0.742 1.00 0.00 C ATOM 713 CD GLN A 44 -11.184 7.918 0.563 1.00 0.00 C ATOM 714 OE1 GLN A 44 -10.890 9.006 0.070 1.00 0.00 O ATOM 715 NE2 GLN A 44 -12.413 7.645 0.979 1.00 0.00 N ATOM 0 H GLN A 44 -9.882 4.686 3.060 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.427 5.509 1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.791 4.740 0.489 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.223 5.343 -0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.671 6.953 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -9.331 7.002 0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.624 6.733 1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.148 8.347 0.895 1.00 0.00 H new ATOM 724 N LYS A 45 -12.653 3.146 0.566 1.00 0.00 N ATOM 725 CA LYS A 45 -12.957 1.758 0.237 1.00 0.00 C ATOM 726 C LYS A 45 -11.825 1.163 -0.597 1.00 0.00 C ATOM 727 O LYS A 45 -11.346 0.063 -0.326 1.00 0.00 O ATOM 728 CB LYS A 45 -14.293 1.646 -0.513 1.00 0.00 C ATOM 729 CG LYS A 45 -14.425 2.601 -1.693 1.00 0.00 C ATOM 730 CD LYS A 45 -15.623 2.265 -2.568 1.00 0.00 C ATOM 731 CE LYS A 45 -15.450 0.919 -3.251 1.00 0.00 C ATOM 732 NZ LYS A 45 -16.524 0.652 -4.242 1.00 0.00 N ATOM 0 H LYS A 45 -13.110 3.836 -0.031 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.049 1.196 1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.412 0.624 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.107 1.835 0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.521 3.622 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.516 2.563 -2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.528 2.253 -1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.755 3.042 -3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.481 0.888 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.447 0.130 -2.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.366 -0.276 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.447 0.655 -3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.512 1.390 -4.975 1.00 0.00 H new ATOM 746 N TYR A 46 -11.403 1.921 -1.600 1.00 0.00 N ATOM 747 CA TYR A 46 -10.309 1.544 -2.483 1.00 0.00 C ATOM 748 C TYR A 46 -9.683 2.811 -3.039 1.00 0.00 C ATOM 749 O TYR A 46 -10.138 3.913 -2.725 1.00 0.00 O ATOM 750 CB TYR A 46 -10.793 0.665 -3.645 1.00 0.00 C ATOM 751 CG TYR A 46 -11.123 -0.762 -3.261 1.00 0.00 C ATOM 752 CD1 TYR A 46 -10.130 -1.633 -2.833 1.00 0.00 C ATOM 753 CD2 TYR A 46 -12.426 -1.236 -3.334 1.00 0.00 C ATOM 754 CE1 TYR A 46 -10.426 -2.937 -2.485 1.00 0.00 C ATOM 755 CE2 TYR A 46 -12.731 -2.540 -2.988 1.00 0.00 C ATOM 756 CZ TYR A 46 -11.726 -3.386 -2.566 1.00 0.00 C ATOM 757 OH TYR A 46 -12.023 -4.685 -2.223 1.00 0.00 O ATOM 0 H TYR A 46 -11.816 2.826 -1.826 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.583 0.967 -1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -11.679 1.123 -4.085 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -10.024 0.651 -4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.109 -1.285 -2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -13.214 -0.576 -3.666 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.642 -3.601 -2.151 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -13.750 -2.894 -3.048 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.984 -4.841 -2.335 1.00 0.00 H new ATOM 767 N LEU A 47 -8.661 2.666 -3.864 1.00 0.00 N ATOM 768 CA LEU A 47 -8.035 3.819 -4.483 1.00 0.00 C ATOM 769 C LEU A 47 -8.449 3.941 -5.939 1.00 0.00 C ATOM 770 O LEU A 47 -8.494 2.954 -6.673 1.00 0.00 O ATOM 771 CB LEU A 47 -6.513 3.740 -4.374 1.00 0.00 C ATOM 772 CG LEU A 47 -5.965 3.816 -2.951 1.00 0.00 C ATOM 773 CD1 LEU A 47 -4.446 3.829 -2.964 1.00 0.00 C ATOM 774 CD2 LEU A 47 -6.496 5.046 -2.232 1.00 0.00 C ATOM 0 H LEU A 47 -8.250 1.768 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.373 4.707 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.179 2.807 -4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.079 4.551 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.301 2.931 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.074 3.883 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.078 2.918 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.094 4.695 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.092 5.079 -1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.193 5.943 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.584 5.000 -2.187 1.00 0.00 H new ATOM 786 N SER A 48 -8.766 5.155 -6.342 1.00 0.00 N ATOM 787 CA SER A 48 -9.131 5.434 -7.712 1.00 0.00 C ATOM 788 C SER A 48 -7.877 5.708 -8.535 1.00 0.00 C ATOM 789 O SER A 48 -6.756 5.640 -8.022 1.00 0.00 O ATOM 790 CB SER A 48 -10.101 6.622 -7.771 1.00 0.00 C ATOM 791 OG SER A 48 -10.569 6.844 -9.091 1.00 0.00 O ATOM 0 H SER A 48 -8.777 5.971 -5.730 1.00 0.00 H new ATOM 0 HA SER A 48 -9.637 4.566 -8.134 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.947 6.435 -7.110 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.602 7.519 -7.405 1.00 0.00 H new ATOM 0 HG SER A 48 -11.186 7.606 -9.096 1.00 0.00 H new ATOM 797 N LEU A 49 -8.079 6.030 -9.799 1.00 0.00 N ATOM 798 CA LEU A 49 -6.998 6.251 -10.731 1.00 0.00 C ATOM 799 C LEU A 49 -6.121 7.408 -10.276 1.00 0.00 C ATOM 800 O LEU A 49 -4.901 7.371 -10.424 1.00 0.00 O ATOM 801 CB LEU A 49 -7.582 6.541 -12.105 1.00 0.00 C ATOM 802 CG LEU A 49 -8.509 5.457 -12.659 1.00 0.00 C ATOM 803 CD1 LEU A 49 -9.051 5.864 -14.019 1.00 0.00 C ATOM 804 CD2 LEU A 49 -7.779 4.122 -12.748 1.00 0.00 C ATOM 0 H LEU A 49 -9.007 6.146 -10.207 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.375 5.357 -10.777 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.134 7.480 -12.057 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.762 6.689 -12.807 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.350 5.341 -11.976 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.708 5.081 -14.398 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.612 6.794 -13.924 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.223 6.009 -14.712 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.454 3.364 -13.144 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.918 4.222 -13.409 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.442 3.825 -11.755 1.00 0.00 H new ATOM 816 N GLN A 50 -6.751 8.419 -9.693 1.00 0.00 N ATOM 817 CA GLN A 50 -6.031 9.594 -9.218 1.00 0.00 C ATOM 818 C GLN A 50 -5.257 9.263 -7.947 1.00 0.00 C ATOM 819 O GLN A 50 -4.151 9.748 -7.729 1.00 0.00 O ATOM 820 CB GLN A 50 -7.004 10.744 -8.949 1.00 0.00 C ATOM 821 CG GLN A 50 -6.321 12.019 -8.483 1.00 0.00 C ATOM 822 CD GLN A 50 -7.303 13.105 -8.096 1.00 0.00 C ATOM 823 OE1 GLN A 50 -8.413 12.824 -7.639 1.00 0.00 O ATOM 824 NE2 GLN A 50 -6.905 14.352 -8.278 1.00 0.00 N ATOM 0 H GLN A 50 -7.759 8.450 -9.537 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.327 9.901 -9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.566 10.954 -9.859 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -7.725 10.430 -8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.683 11.792 -7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.672 12.389 -9.277 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.978 14.541 -8.659 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.525 15.125 -8.037 1.00 0.00 H new ATOM 833 N GLN A 51 -5.847 8.421 -7.115 1.00 0.00 N ATOM 834 CA GLN A 51 -5.264 8.089 -5.829 1.00 0.00 C ATOM 835 C GLN A 51 -4.097 7.112 -5.967 1.00 0.00 C ATOM 836 O GLN A 51 -3.156 7.152 -5.178 1.00 0.00 O ATOM 837 CB GLN A 51 -6.344 7.534 -4.906 1.00 0.00 C ATOM 838 CG GLN A 51 -7.391 8.572 -4.526 1.00 0.00 C ATOM 839 CD GLN A 51 -8.614 7.965 -3.880 1.00 0.00 C ATOM 840 OE1 GLN A 51 -8.988 6.836 -4.183 1.00 0.00 O ATOM 841 NE2 GLN A 51 -9.248 8.713 -2.990 1.00 0.00 N ATOM 0 H GLN A 51 -6.733 7.954 -7.310 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.856 9.000 -5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.835 6.692 -5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.877 7.148 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.947 9.295 -3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.692 9.120 -5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.901 9.646 -2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.083 8.356 -2.526 1.00 0.00 H new ATOM 850 N MET A 52 -4.147 6.239 -6.972 1.00 0.00 N ATOM 851 CA MET A 52 -3.056 5.287 -7.204 1.00 0.00 C ATOM 852 C MET A 52 -1.830 5.986 -7.792 1.00 0.00 C ATOM 853 O MET A 52 -0.699 5.626 -7.478 1.00 0.00 O ATOM 854 CB MET A 52 -3.507 4.114 -8.093 1.00 0.00 C ATOM 855 CG MET A 52 -4.034 4.515 -9.461 1.00 0.00 C ATOM 856 SD MET A 52 -4.656 3.106 -10.404 1.00 0.00 S ATOM 857 CE MET A 52 -5.927 2.495 -9.297 1.00 0.00 C ATOM 0 H MET A 52 -4.921 6.169 -7.633 1.00 0.00 H new ATOM 0 HA MET A 52 -2.773 4.872 -6.236 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.665 3.435 -8.229 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.284 3.558 -7.569 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.832 5.247 -9.339 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.238 5.002 -10.025 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.798 2.189 -9.877 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.544 1.641 -8.739 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.213 3.284 -8.601 1.00 0.00 H new ATOM 867 N GLN A 53 -2.050 6.990 -8.636 1.00 0.00 N ATOM 868 CA GLN A 53 -0.944 7.781 -9.171 1.00 0.00 C ATOM 869 C GLN A 53 -0.393 8.719 -8.097 1.00 0.00 C ATOM 870 O GLN A 53 0.800 9.037 -8.080 1.00 0.00 O ATOM 871 CB GLN A 53 -1.373 8.549 -10.427 1.00 0.00 C ATOM 872 CG GLN A 53 -2.558 9.476 -10.223 1.00 0.00 C ATOM 873 CD GLN A 53 -3.184 9.923 -11.530 1.00 0.00 C ATOM 874 OE1 GLN A 53 -3.090 9.082 -12.548 1.00 0.00 O flip ATOM 875 NE2 GLN A 53 -3.756 11.009 -11.620 1.00 0.00 N flip ATOM 0 H GLN A 53 -2.974 7.274 -8.962 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.144 7.103 -9.466 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.527 9.135 -10.786 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -1.619 7.832 -11.210 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.311 8.969 -9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.236 10.352 -9.661 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.806 11.628 -10.811 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.180 11.290 -12.504 1.00 0.00 H new ATOM 884 N GLU A 54 -1.272 9.168 -7.207 1.00 0.00 N ATOM 885 CA GLU A 54 -0.856 9.924 -6.035 1.00 0.00 C ATOM 886 C GLU A 54 0.035 9.054 -5.158 1.00 0.00 C ATOM 887 O GLU A 54 1.128 9.462 -4.758 1.00 0.00 O ATOM 888 CB GLU A 54 -2.081 10.378 -5.239 1.00 0.00 C ATOM 889 CG GLU A 54 -1.743 11.167 -3.985 1.00 0.00 C ATOM 890 CD GLU A 54 -2.911 11.270 -3.024 1.00 0.00 C ATOM 891 OE1 GLU A 54 -3.802 12.114 -3.247 1.00 0.00 O ATOM 892 OE2 GLU A 54 -2.936 10.508 -2.031 1.00 0.00 O ATOM 0 H GLU A 54 -2.279 9.020 -7.277 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.300 10.804 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.713 10.990 -5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.665 9.501 -4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.902 10.693 -3.478 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.421 12.169 -4.267 1.00 0.00 H new ATOM 899 N LEU A 55 -0.447 7.842 -4.894 1.00 0.00 N ATOM 900 CA LEU A 55 0.245 6.870 -4.055 1.00 0.00 C ATOM 901 C LEU A 55 1.683 6.673 -4.521 1.00 0.00 C ATOM 902 O LEU A 55 2.626 6.781 -3.731 1.00 0.00 O ATOM 903 CB LEU A 55 -0.521 5.537 -4.100 1.00 0.00 C ATOM 904 CG LEU A 55 -0.356 4.602 -2.892 1.00 0.00 C ATOM 905 CD1 LEU A 55 1.060 4.058 -2.798 1.00 0.00 C ATOM 906 CD2 LEU A 55 -0.736 5.324 -1.611 1.00 0.00 C ATOM 0 H LEU A 55 -1.337 7.505 -5.260 1.00 0.00 H new ATOM 0 HA LEU A 55 0.278 7.241 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.582 5.759 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.209 4.996 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.027 3.754 -3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.140 3.401 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.295 3.497 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.761 4.886 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.614 4.650 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.092 6.193 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.775 5.648 -1.670 1.00 0.00 H new ATOM 918 N SER A 56 1.839 6.406 -5.807 1.00 0.00 N ATOM 919 CA SER A 56 3.150 6.163 -6.387 1.00 0.00 C ATOM 920 C SER A 56 4.065 7.371 -6.213 1.00 0.00 C ATOM 921 O SER A 56 5.257 7.222 -5.945 1.00 0.00 O ATOM 922 CB SER A 56 3.016 5.796 -7.869 1.00 0.00 C ATOM 923 OG SER A 56 2.085 6.636 -8.526 1.00 0.00 O ATOM 0 H SER A 56 1.069 6.352 -6.473 1.00 0.00 H new ATOM 0 HA SER A 56 3.603 5.325 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.988 5.877 -8.355 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.699 4.757 -7.961 1.00 0.00 H new ATOM 0 HG SER A 56 1.953 7.452 -8.000 1.00 0.00 H new ATOM 929 N ASN A 57 3.495 8.564 -6.338 1.00 0.00 N ATOM 930 CA ASN A 57 4.265 9.797 -6.216 1.00 0.00 C ATOM 931 C ASN A 57 4.794 9.987 -4.794 1.00 0.00 C ATOM 932 O ASN A 57 5.911 10.465 -4.600 1.00 0.00 O ATOM 933 CB ASN A 57 3.405 10.999 -6.629 1.00 0.00 C ATOM 934 CG ASN A 57 4.128 12.325 -6.457 1.00 0.00 C ATOM 935 OD1 ASN A 57 4.881 12.754 -7.332 1.00 0.00 O ATOM 936 ND2 ASN A 57 3.881 12.999 -5.343 1.00 0.00 N ATOM 0 H ASN A 57 2.502 8.704 -6.524 1.00 0.00 H new ATOM 0 HA ASN A 57 5.124 9.725 -6.884 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.106 10.886 -7.671 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.491 11.008 -6.034 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.321 13.906 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.251 12.611 -4.641 1.00 0.00 H new ATOM 943 N ILE A 58 3.996 9.598 -3.804 1.00 0.00 N ATOM 944 CA ILE A 58 4.356 9.803 -2.405 1.00 0.00 C ATOM 945 C ILE A 58 5.466 8.852 -1.970 1.00 0.00 C ATOM 946 O ILE A 58 6.418 9.251 -1.295 1.00 0.00 O ATOM 947 CB ILE A 58 3.141 9.603 -1.473 1.00 0.00 C ATOM 948 CG1 ILE A 58 1.951 10.423 -1.974 1.00 0.00 C ATOM 949 CG2 ILE A 58 3.497 9.990 -0.044 1.00 0.00 C ATOM 950 CD1 ILE A 58 0.725 10.352 -1.080 1.00 0.00 C ATOM 0 H ILE A 58 3.096 9.139 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 58 4.708 10.832 -2.324 1.00 0.00 H new ATOM 0 HB ILE A 58 2.863 8.549 -1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.257 11.465 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.680 10.077 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.630 9.843 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.319 9.367 0.308 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.797 11.037 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.072 10.961 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.390 9.318 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.976 10.727 -0.088 1.00 0.00 H new ATOM 962 N LEU A 59 5.346 7.591 -2.363 1.00 0.00 N ATOM 963 CA LEU A 59 6.262 6.563 -1.886 1.00 0.00 C ATOM 964 C LEU A 59 7.419 6.342 -2.850 1.00 0.00 C ATOM 965 O LEU A 59 8.210 5.415 -2.669 1.00 0.00 O ATOM 966 CB LEU A 59 5.513 5.247 -1.655 1.00 0.00 C ATOM 967 CG LEU A 59 4.385 5.322 -0.629 1.00 0.00 C ATOM 968 CD1 LEU A 59 3.720 3.966 -0.470 1.00 0.00 C ATOM 969 CD2 LEU A 59 4.909 5.823 0.709 1.00 0.00 C ATOM 0 H LEU A 59 4.629 7.257 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 59 6.679 6.912 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.099 4.910 -2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.228 4.490 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 59 3.639 6.030 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.918 4.038 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.307 3.649 -1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.457 3.237 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.090 5.869 1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.676 5.142 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.337 6.817 0.583 1.00 0.00 H new ATOM 981 N ASN A 60 7.516 7.202 -3.862 1.00 0.00 N ATOM 982 CA ASN A 60 8.567 7.106 -4.878 1.00 0.00 C ATOM 983 C ASN A 60 8.524 5.732 -5.541 1.00 0.00 C ATOM 984 O ASN A 60 9.520 5.006 -5.602 1.00 0.00 O ATOM 985 CB ASN A 60 9.948 7.369 -4.258 1.00 0.00 C ATOM 986 CG ASN A 60 10.996 7.753 -5.289 1.00 0.00 C ATOM 987 OD1 ASN A 60 11.157 8.927 -5.615 1.00 0.00 O ATOM 988 ND2 ASN A 60 11.723 6.773 -5.801 1.00 0.00 N ATOM 0 H ASN A 60 6.873 7.981 -4.002 1.00 0.00 H new ATOM 0 HA ASN A 60 8.391 7.867 -5.638 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.863 8.166 -3.519 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.278 6.476 -3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.446 6.981 -6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.561 5.810 -5.506 1.00 0.00 H new ATOM 995 N LEU A 61 7.343 5.381 -6.019 1.00 0.00 N ATOM 996 CA LEU A 61 7.117 4.103 -6.670 1.00 0.00 C ATOM 997 C LEU A 61 6.529 4.330 -8.046 1.00 0.00 C ATOM 998 O LEU A 61 6.226 5.460 -8.427 1.00 0.00 O ATOM 999 CB LEU A 61 6.173 3.231 -5.838 1.00 0.00 C ATOM 1000 CG LEU A 61 6.705 2.805 -4.468 1.00 0.00 C ATOM 1001 CD1 LEU A 61 5.650 2.007 -3.717 1.00 0.00 C ATOM 1002 CD2 LEU A 61 7.981 1.991 -4.622 1.00 0.00 C ATOM 0 H LEU A 61 6.514 5.974 -5.967 1.00 0.00 H new ATOM 0 HA LEU A 61 8.072 3.585 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.239 3.774 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.935 2.335 -6.411 1.00 0.00 H new ATOM 0 HG LEU A 61 6.937 3.701 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.042 1.711 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.760 2.621 -3.578 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.391 1.117 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.346 1.696 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.775 1.100 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.738 2.593 -5.124 1.00 0.00 H new ATOM 1014 N SER A 62 6.362 3.257 -8.785 1.00 0.00 N ATOM 1015 CA SER A 62 5.827 3.341 -10.120 1.00 0.00 C ATOM 1016 C SER A 62 4.320 3.123 -10.098 1.00 0.00 C ATOM 1017 O SER A 62 3.804 2.365 -9.274 1.00 0.00 O ATOM 1018 CB SER A 62 6.520 2.309 -11.007 1.00 0.00 C ATOM 1019 OG SER A 62 6.037 2.354 -12.337 1.00 0.00 O ATOM 0 H SER A 62 6.591 2.311 -8.479 1.00 0.00 H new ATOM 0 HA SER A 62 6.013 4.334 -10.528 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.595 2.489 -11.004 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.363 1.312 -10.596 1.00 0.00 H new ATOM 0 HG SER A 62 6.547 1.727 -12.892 1.00 0.00 H new ATOM 1025 N TYR A 63 3.629 3.804 -10.999 1.00 0.00 N ATOM 1026 CA TYR A 63 2.183 3.703 -11.129 1.00 0.00 C ATOM 1027 C TYR A 63 1.765 2.255 -11.351 1.00 0.00 C ATOM 1028 O TYR A 63 0.777 1.791 -10.787 1.00 0.00 O ATOM 1029 CB TYR A 63 1.711 4.590 -12.291 1.00 0.00 C ATOM 1030 CG TYR A 63 0.242 4.453 -12.636 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -0.720 5.239 -12.009 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -0.182 3.538 -13.590 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -2.061 5.117 -12.329 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -1.518 3.410 -13.915 1.00 0.00 C ATOM 1035 CZ TYR A 63 -2.454 4.197 -13.280 1.00 0.00 C ATOM 1036 OH TYR A 63 -3.785 4.068 -13.603 1.00 0.00 O ATOM 0 H TYR A 63 4.058 4.446 -11.665 1.00 0.00 H new ATOM 0 HA TYR A 63 1.716 4.048 -10.207 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.916 5.631 -12.042 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.302 4.351 -13.175 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.415 5.956 -11.261 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.546 2.915 -14.087 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.795 5.738 -11.838 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.828 2.696 -14.664 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.328 4.148 -12.791 1.00 0.00 H new ATOM 1046 N LYS A 64 2.538 1.540 -12.155 1.00 0.00 N ATOM 1047 CA LYS A 64 2.251 0.152 -12.453 1.00 0.00 C ATOM 1048 C LYS A 64 2.405 -0.698 -11.205 1.00 0.00 C ATOM 1049 O LYS A 64 1.639 -1.627 -10.978 1.00 0.00 O ATOM 1050 CB LYS A 64 3.161 -0.342 -13.584 1.00 0.00 C ATOM 1051 CG LYS A 64 4.656 -0.349 -13.270 1.00 0.00 C ATOM 1052 CD LYS A 64 5.117 -1.683 -12.695 1.00 0.00 C ATOM 1053 CE LYS A 64 5.005 -2.807 -13.713 1.00 0.00 C ATOM 1054 NZ LYS A 64 5.939 -2.625 -14.853 1.00 0.00 N ATOM 0 H LYS A 64 3.373 1.905 -12.613 1.00 0.00 H new ATOM 0 HA LYS A 64 1.218 0.064 -12.789 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.859 -1.354 -13.854 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.995 0.284 -14.460 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.218 -0.134 -14.179 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.880 0.448 -12.561 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.151 -1.597 -12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.518 -1.927 -11.817 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.211 -3.759 -13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.982 -2.856 -14.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.979 -3.501 -15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.605 -1.845 -15.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.888 -2.402 -14.492 1.00 0.00 H new ATOM 1068 N GLN A 65 3.391 -0.349 -10.392 1.00 0.00 N ATOM 1069 CA GLN A 65 3.637 -1.046 -9.140 1.00 0.00 C ATOM 1070 C GLN A 65 2.468 -0.842 -8.187 1.00 0.00 C ATOM 1071 O GLN A 65 2.000 -1.787 -7.553 1.00 0.00 O ATOM 1072 CB GLN A 65 4.929 -0.550 -8.488 1.00 0.00 C ATOM 1073 CG GLN A 65 6.180 -0.880 -9.285 1.00 0.00 C ATOM 1074 CD GLN A 65 7.441 -0.316 -8.661 1.00 0.00 C ATOM 1075 OE1 GLN A 65 7.415 0.728 -8.005 1.00 0.00 O ATOM 1076 NE2 GLN A 65 8.555 -1.000 -8.864 1.00 0.00 N ATOM 0 H GLN A 65 4.037 0.418 -10.579 1.00 0.00 H new ATOM 0 HA GLN A 65 3.742 -2.109 -9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.867 0.530 -8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.016 -0.989 -7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.275 -1.962 -9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.074 -0.488 -10.297 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.533 -1.859 -9.413 1.00 0.00 H new ATOM 0 HE22 GLN A 65 9.436 -0.668 -8.472 1.00 0.00 H new ATOM 1085 N VAL A 66 1.984 0.391 -8.116 1.00 0.00 N ATOM 1086 CA VAL A 66 0.880 0.716 -7.220 1.00 0.00 C ATOM 1087 C VAL A 66 -0.424 0.105 -7.727 1.00 0.00 C ATOM 1088 O VAL A 66 -1.208 -0.451 -6.953 1.00 0.00 O ATOM 1089 CB VAL A 66 0.714 2.239 -7.056 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.483 2.562 -6.173 1.00 0.00 C ATOM 1091 CG2 VAL A 66 1.981 2.840 -6.472 1.00 0.00 C ATOM 0 H VAL A 66 2.334 1.177 -8.663 1.00 0.00 H new ATOM 0 HA VAL A 66 1.118 0.292 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 66 0.536 2.675 -8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.580 3.643 -6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.388 2.157 -6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.339 2.117 -5.188 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.855 3.917 -6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.179 2.394 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.819 2.641 -7.140 1.00 0.00 H new ATOM 1101 N LYS A 67 -0.632 0.190 -9.034 1.00 0.00 N ATOM 1102 CA LYS A 67 -1.835 -0.343 -9.662 1.00 0.00 C ATOM 1103 C LYS A 67 -1.902 -1.859 -9.485 1.00 0.00 C ATOM 1104 O LYS A 67 -2.971 -2.427 -9.260 1.00 0.00 O ATOM 1105 CB LYS A 67 -1.839 0.012 -11.151 1.00 0.00 C ATOM 1106 CG LYS A 67 -3.207 -0.061 -11.809 1.00 0.00 C ATOM 1107 CD LYS A 67 -3.104 0.222 -13.299 1.00 0.00 C ATOM 1108 CE LYS A 67 -4.469 0.447 -13.932 1.00 0.00 C ATOM 1109 NZ LYS A 67 -5.109 1.701 -13.444 1.00 0.00 N ATOM 0 H LYS A 67 0.021 0.626 -9.685 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.709 0.100 -9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.444 1.020 -11.273 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.161 -0.662 -11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.640 -1.049 -11.651 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.879 0.660 -11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.481 1.102 -13.459 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.608 -0.614 -13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.363 0.492 -15.016 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.116 -0.401 -13.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.022 1.835 -13.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.264 1.635 -12.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.488 2.510 -13.649 1.00 0.00 H new ATOM 1123 N THR A 68 -0.742 -2.500 -9.572 1.00 0.00 N ATOM 1124 CA THR A 68 -0.641 -3.942 -9.404 1.00 0.00 C ATOM 1125 C THR A 68 -0.979 -4.344 -7.971 1.00 0.00 C ATOM 1126 O THR A 68 -1.708 -5.311 -7.744 1.00 0.00 O ATOM 1127 CB THR A 68 0.771 -4.448 -9.766 1.00 0.00 C ATOM 1128 OG1 THR A 68 1.059 -4.156 -11.140 1.00 0.00 O ATOM 1129 CG2 THR A 68 0.904 -5.948 -9.527 1.00 0.00 C ATOM 0 H THR A 68 0.148 -2.038 -9.760 1.00 0.00 H new ATOM 0 HA THR A 68 -1.360 -4.402 -10.082 1.00 0.00 H new ATOM 0 HB THR A 68 1.484 -3.934 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.922 -3.200 -11.307 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.911 -6.271 -9.792 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.718 -6.167 -8.476 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.178 -6.480 -10.142 1.00 0.00 H new ATOM 1137 N TRP A 69 -0.463 -3.584 -7.005 1.00 0.00 N ATOM 1138 CA TRP A 69 -0.722 -3.859 -5.599 1.00 0.00 C ATOM 1139 C TRP A 69 -2.210 -3.690 -5.307 1.00 0.00 C ATOM 1140 O TRP A 69 -2.816 -4.518 -4.628 1.00 0.00 O ATOM 1141 CB TRP A 69 0.103 -2.930 -4.700 1.00 0.00 C ATOM 1142 CG TRP A 69 0.154 -3.373 -3.268 1.00 0.00 C ATOM 1143 CD1 TRP A 69 1.107 -4.163 -2.690 1.00 0.00 C ATOM 1144 CD2 TRP A 69 -0.785 -3.054 -2.231 1.00 0.00 C ATOM 1145 NE1 TRP A 69 0.817 -4.353 -1.360 1.00 0.00 N ATOM 1146 CE2 TRP A 69 -0.337 -3.684 -1.055 1.00 0.00 C ATOM 1147 CE3 TRP A 69 -1.959 -2.295 -2.182 1.00 0.00 C ATOM 1148 CZ2 TRP A 69 -1.022 -3.584 0.152 1.00 0.00 C ATOM 1149 CZ3 TRP A 69 -2.637 -2.197 -0.983 1.00 0.00 C ATOM 1150 CH2 TRP A 69 -2.167 -2.836 0.171 1.00 0.00 C ATOM 0 H TRP A 69 0.135 -2.775 -7.174 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.428 -4.887 -5.385 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.119 -2.869 -5.089 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -0.317 -1.925 -4.746 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.962 -4.577 -3.203 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.373 -4.904 -0.706 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -2.328 -1.795 -3.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -0.663 -4.079 1.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -3.547 -1.617 -0.934 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -2.719 -2.736 1.094 1.00 0.00 H new ATOM 1161 N PHE A 70 -2.786 -2.617 -5.839 1.00 0.00 N ATOM 1162 CA PHE A 70 -4.215 -2.355 -5.704 1.00 0.00 C ATOM 1163 C PHE A 70 -5.040 -3.530 -6.228 1.00 0.00 C ATOM 1164 O PHE A 70 -5.946 -4.015 -5.547 1.00 0.00 O ATOM 1165 CB PHE A 70 -4.586 -1.071 -6.458 1.00 0.00 C ATOM 1166 CG PHE A 70 -6.064 -0.897 -6.674 1.00 0.00 C ATOM 1167 CD1 PHE A 70 -6.894 -0.510 -5.635 1.00 0.00 C ATOM 1168 CD2 PHE A 70 -6.622 -1.131 -7.921 1.00 0.00 C ATOM 1169 CE1 PHE A 70 -8.252 -0.361 -5.836 1.00 0.00 C ATOM 1170 CE2 PHE A 70 -7.978 -0.982 -8.128 1.00 0.00 C ATOM 1171 CZ PHE A 70 -8.795 -0.599 -7.085 1.00 0.00 C ATOM 0 H PHE A 70 -2.280 -1.909 -6.372 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.441 -2.227 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.206 -0.213 -5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.085 -1.072 -7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.475 -0.323 -4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.987 -1.434 -8.741 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.889 -0.059 -5.018 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.399 -1.165 -9.106 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.857 -0.485 -7.244 1.00 0.00 H new ATOM 1181 N GLN A 71 -4.718 -3.984 -7.434 1.00 0.00 N ATOM 1182 CA GLN A 71 -5.448 -5.081 -8.059 1.00 0.00 C ATOM 1183 C GLN A 71 -5.299 -6.363 -7.240 1.00 0.00 C ATOM 1184 O GLN A 71 -6.258 -7.117 -7.066 1.00 0.00 O ATOM 1185 CB GLN A 71 -4.947 -5.301 -9.493 1.00 0.00 C ATOM 1186 CG GLN A 71 -5.728 -6.354 -10.266 1.00 0.00 C ATOM 1187 CD GLN A 71 -7.200 -6.009 -10.407 1.00 0.00 C ATOM 1188 OE1 GLN A 71 -8.008 -6.430 -9.444 1.00 0.00 O flip ATOM 1189 NE2 GLN A 71 -7.611 -5.366 -11.369 1.00 0.00 N flip ATOM 0 H GLN A 71 -3.956 -3.609 -7.999 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.505 -4.818 -8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.998 -4.356 -10.034 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.897 -5.593 -9.460 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.290 -6.470 -11.257 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.631 -7.315 -9.761 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.961 -5.058 -12.092 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.603 -5.140 -11.445 1.00 0.00 H new ATOM 1198 N ASN A 72 -4.099 -6.585 -6.728 1.00 0.00 N ATOM 1199 CA ASN A 72 -3.791 -7.763 -5.925 1.00 0.00 C ATOM 1200 C ASN A 72 -4.547 -7.726 -4.604 1.00 0.00 C ATOM 1201 O ASN A 72 -5.160 -8.714 -4.202 1.00 0.00 O ATOM 1202 CB ASN A 72 -2.279 -7.845 -5.671 1.00 0.00 C ATOM 1203 CG ASN A 72 -1.900 -8.921 -4.668 1.00 0.00 C ATOM 1204 OD1 ASN A 72 -1.706 -10.080 -5.025 1.00 0.00 O ATOM 1205 ND2 ASN A 72 -1.766 -8.536 -3.406 1.00 0.00 N ATOM 0 H ASN A 72 -3.308 -5.954 -6.856 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.107 -8.650 -6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.768 -8.040 -6.614 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.924 -6.879 -5.310 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -1.493 -9.212 -2.693 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.936 -7.564 -3.149 1.00 0.00 H new ATOM 1212 N GLN A 73 -4.505 -6.575 -3.944 1.00 0.00 N ATOM 1213 CA GLN A 73 -5.188 -6.383 -2.673 1.00 0.00 C ATOM 1214 C GLN A 73 -6.690 -6.572 -2.849 1.00 0.00 C ATOM 1215 O GLN A 73 -7.350 -7.206 -2.023 1.00 0.00 O ATOM 1216 CB GLN A 73 -4.868 -4.987 -2.119 1.00 0.00 C ATOM 1217 CG GLN A 73 -5.564 -4.649 -0.806 1.00 0.00 C ATOM 1218 CD GLN A 73 -6.714 -3.670 -0.978 1.00 0.00 C ATOM 1219 OE1 GLN A 73 -7.374 -3.640 -2.013 1.00 0.00 O ATOM 1220 NE2 GLN A 73 -6.951 -2.854 0.036 1.00 0.00 N ATOM 0 H GLN A 73 -3.999 -5.753 -4.274 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.837 -7.127 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.791 -4.906 -1.975 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.147 -4.242 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -5.940 -5.567 -0.354 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.836 -4.227 -0.113 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.380 -2.910 0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.704 -2.169 -0.026 1.00 0.00 H new ATOM 1229 N ARG A 74 -7.220 -6.039 -3.943 1.00 0.00 N ATOM 1230 CA ARG A 74 -8.637 -6.168 -4.242 1.00 0.00 C ATOM 1231 C ARG A 74 -8.993 -7.618 -4.569 1.00 0.00 C ATOM 1232 O ARG A 74 -10.062 -8.102 -4.197 1.00 0.00 O ATOM 1233 CB ARG A 74 -9.021 -5.256 -5.408 1.00 0.00 C ATOM 1234 CG ARG A 74 -10.520 -5.162 -5.630 1.00 0.00 C ATOM 1235 CD ARG A 74 -10.859 -4.249 -6.794 1.00 0.00 C ATOM 1236 NE ARG A 74 -12.303 -4.073 -6.943 1.00 0.00 N ATOM 1237 CZ ARG A 74 -12.941 -4.073 -8.114 1.00 0.00 C ATOM 1238 NH1 ARG A 74 -12.267 -4.261 -9.242 1.00 0.00 N ATOM 1239 NH2 ARG A 74 -14.253 -3.887 -8.153 1.00 0.00 N ATOM 0 H ARG A 74 -6.688 -5.514 -4.637 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.199 -5.866 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.625 -4.257 -5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.548 -5.624 -6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.923 -6.157 -5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.999 -4.790 -4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.388 -3.278 -6.643 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.447 -4.664 -7.714 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.858 -3.942 -6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.258 -4.406 -9.215 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.758 -4.260 -10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -14.774 -3.744 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -14.742 -3.887 -9.048 1.00 0.00 H new ATOM 1253 N MET A 75 -8.093 -8.315 -5.260 1.00 0.00 N ATOM 1254 CA MET A 75 -8.332 -9.716 -5.606 1.00 0.00 C ATOM 1255 C MET A 75 -8.252 -10.609 -4.372 1.00 0.00 C ATOM 1256 O MET A 75 -9.049 -11.536 -4.212 1.00 0.00 O ATOM 1257 CB MET A 75 -7.349 -10.199 -6.675 1.00 0.00 C ATOM 1258 CG MET A 75 -7.710 -9.736 -8.079 1.00 0.00 C ATOM 1259 SD MET A 75 -6.614 -10.405 -9.347 1.00 0.00 S ATOM 1260 CE MET A 75 -5.060 -9.623 -8.924 1.00 0.00 C ATOM 0 H MET A 75 -7.203 -7.940 -5.588 1.00 0.00 H new ATOM 0 HA MET A 75 -9.341 -9.783 -6.014 1.00 0.00 H new ATOM 0 HB2 MET A 75 -6.350 -9.841 -6.428 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.311 -11.288 -6.658 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.736 -10.032 -8.300 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.677 -8.647 -8.116 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.382 -9.676 -9.776 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.237 -8.579 -8.666 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.614 -10.137 -8.073 1.00 0.00 H new ATOM 1270 N LYS A 76 -7.298 -10.319 -3.493 1.00 0.00 N ATOM 1271 CA LYS A 76 -7.128 -11.085 -2.260 1.00 0.00 C ATOM 1272 C LYS A 76 -8.294 -10.873 -1.300 1.00 0.00 C ATOM 1273 O LYS A 76 -8.591 -11.742 -0.478 1.00 0.00 O ATOM 1274 CB LYS A 76 -5.808 -10.721 -1.570 1.00 0.00 C ATOM 1275 CG LYS A 76 -4.637 -11.621 -1.948 1.00 0.00 C ATOM 1276 CD LYS A 76 -4.600 -12.890 -1.097 1.00 0.00 C ATOM 1277 CE LYS A 76 -5.758 -13.829 -1.405 1.00 0.00 C ATOM 1278 NZ LYS A 76 -5.883 -14.915 -0.397 1.00 0.00 N ATOM 0 H LYS A 76 -6.629 -9.558 -3.611 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.105 -12.139 -2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.554 -9.690 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.951 -10.764 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.711 -11.892 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.703 -11.073 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.658 -13.411 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.627 -12.618 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.686 -13.259 -1.440 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.616 -14.267 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.684 -15.530 -0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.008 -15.476 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -6.045 -14.500 0.543 1.00 0.00 H new ATOM 1292 N SER A 77 -8.949 -9.727 -1.407 1.00 0.00 N ATOM 1293 CA SER A 77 -10.092 -9.426 -0.559 1.00 0.00 C ATOM 1294 C SER A 77 -11.284 -10.314 -0.915 1.00 0.00 C ATOM 1295 O SER A 77 -12.133 -10.599 -0.067 1.00 0.00 O ATOM 1296 CB SER A 77 -10.471 -7.948 -0.685 1.00 0.00 C ATOM 1297 OG SER A 77 -9.409 -7.109 -0.255 1.00 0.00 O ATOM 0 H SER A 77 -8.709 -8.991 -2.072 1.00 0.00 H new ATOM 0 HA SER A 77 -9.814 -9.630 0.475 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.721 -7.721 -1.721 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.362 -7.746 -0.090 1.00 0.00 H new ATOM 0 HG SER A 77 -8.632 -7.240 -0.838 1.00 0.00 H new ATOM 1303 N LYS A 78 -11.337 -10.758 -2.166 1.00 0.00 N ATOM 1304 CA LYS A 78 -12.430 -11.603 -2.621 1.00 0.00 C ATOM 1305 C LYS A 78 -12.044 -13.079 -2.531 1.00 0.00 C ATOM 1306 O LYS A 78 -12.649 -13.840 -1.778 1.00 0.00 O ATOM 1307 CB LYS A 78 -12.828 -11.239 -4.054 1.00 0.00 C ATOM 1308 CG LYS A 78 -14.123 -11.894 -4.511 1.00 0.00 C ATOM 1309 CD LYS A 78 -14.561 -11.385 -5.875 1.00 0.00 C ATOM 1310 CE LYS A 78 -15.947 -11.896 -6.233 1.00 0.00 C ATOM 1311 NZ LYS A 78 -16.421 -11.365 -7.535 1.00 0.00 N ATOM 0 H LYS A 78 -10.638 -10.547 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.288 -11.433 -1.970 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.932 -10.157 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.025 -11.530 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -13.989 -12.975 -4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.908 -11.697 -3.780 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.561 -10.295 -5.877 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.846 -11.705 -6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -15.932 -12.985 -6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.650 -11.613 -5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.370 -11.740 -7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.461 -10.327 -7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.765 -11.656 -8.288 1.00 0.00 H new ATOM 1325 N ARG A 79 -11.032 -13.480 -3.292 1.00 0.00 N ATOM 1326 CA ARG A 79 -10.556 -14.859 -3.264 1.00 0.00 C ATOM 1327 C ARG A 79 -9.037 -14.919 -3.371 1.00 0.00 C ATOM 1328 O ARG A 79 -8.346 -15.168 -2.385 1.00 0.00 O ATOM 1329 CB ARG A 79 -11.193 -15.693 -4.383 1.00 0.00 C ATOM 1330 CG ARG A 79 -12.621 -16.128 -4.095 1.00 0.00 C ATOM 1331 CD ARG A 79 -13.149 -17.052 -5.180 1.00 0.00 C ATOM 1332 NE ARG A 79 -14.432 -17.643 -4.814 1.00 0.00 N ATOM 1333 CZ ARG A 79 -14.745 -18.922 -5.013 1.00 0.00 C ATOM 1334 NH1 ARG A 79 -13.870 -19.747 -5.581 1.00 0.00 N ATOM 1335 NH2 ARG A 79 -15.935 -19.367 -4.638 1.00 0.00 N ATOM 0 H ARG A 79 -10.526 -12.871 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.855 -15.283 -2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -11.180 -15.114 -5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.582 -16.579 -4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.661 -16.636 -3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.262 -15.250 -4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.258 -16.494 -6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.424 -17.844 -5.367 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.131 -17.040 -4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.954 -19.401 -5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.115 -20.726 -5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -16.603 -18.732 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -16.184 -20.345 -4.786 1.00 0.00 H new ATOM 1349 N TRP A 80 -8.523 -14.689 -4.568 1.00 0.00 N ATOM 1350 CA TRP A 80 -7.087 -14.695 -4.798 1.00 0.00 C ATOM 1351 C TRP A 80 -6.750 -13.886 -6.039 1.00 0.00 C ATOM 1352 O TRP A 80 -7.644 -13.417 -6.742 1.00 0.00 O ATOM 1353 CB TRP A 80 -6.542 -16.130 -4.921 1.00 0.00 C ATOM 1354 CG TRP A 80 -7.156 -16.949 -6.025 1.00 0.00 C ATOM 1355 CD1 TRP A 80 -6.811 -16.942 -7.348 1.00 0.00 C ATOM 1356 CD2 TRP A 80 -8.204 -17.919 -5.891 1.00 0.00 C ATOM 1357 NE1 TRP A 80 -7.586 -17.840 -8.044 1.00 0.00 N ATOM 1358 CE2 TRP A 80 -8.450 -18.449 -7.172 1.00 0.00 C ATOM 1359 CE3 TRP A 80 -8.960 -18.387 -4.811 1.00 0.00 C ATOM 1360 CZ2 TRP A 80 -9.421 -19.422 -7.402 1.00 0.00 C ATOM 1361 CZ3 TRP A 80 -9.923 -19.352 -5.041 1.00 0.00 C ATOM 1362 CH2 TRP A 80 -10.146 -19.861 -6.326 1.00 0.00 C ATOM 0 H TRP A 80 -9.081 -14.495 -5.399 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.606 -14.233 -3.935 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -5.465 -16.082 -5.080 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -6.701 -16.646 -3.974 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.042 -16.321 -7.783 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -7.527 -18.023 -9.046 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.794 -18.002 -3.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -9.595 -19.815 -8.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -10.514 -19.720 -4.215 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -10.905 -20.615 -6.472 1.00 0.00 H new ATOM 1373 N GLN A 81 -5.466 -13.725 -6.301 1.00 0.00 N ATOM 1374 CA GLN A 81 -5.009 -12.938 -7.434 1.00 0.00 C ATOM 1375 C GLN A 81 -4.923 -13.797 -8.690 1.00 0.00 C ATOM 1376 O GLN A 81 -4.353 -14.889 -8.673 1.00 0.00 O ATOM 1377 CB GLN A 81 -3.649 -12.282 -7.139 1.00 0.00 C ATOM 1378 CG GLN A 81 -2.558 -13.246 -6.681 1.00 0.00 C ATOM 1379 CD GLN A 81 -2.657 -13.597 -5.209 1.00 0.00 C ATOM 1380 OE1 GLN A 81 -3.314 -14.565 -4.824 1.00 0.00 O ATOM 1381 NE2 GLN A 81 -2.022 -12.796 -4.371 1.00 0.00 N ATOM 0 H GLN A 81 -4.716 -14.131 -5.741 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.739 -12.147 -7.606 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.307 -11.769 -8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.788 -11.521 -6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.617 -14.160 -7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.582 -12.802 -6.878 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.488 -12.004 -4.728 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.066 -12.970 -3.367 1.00 0.00 H new ATOM 1390 N LYS A 82 -5.498 -13.303 -9.774 1.00 0.00 N ATOM 1391 CA LYS A 82 -5.475 -14.012 -11.040 1.00 0.00 C ATOM 1392 C LYS A 82 -5.177 -13.052 -12.184 1.00 0.00 C ATOM 1393 O LYS A 82 -5.981 -12.176 -12.495 1.00 0.00 O ATOM 1394 CB LYS A 82 -6.814 -14.713 -11.300 1.00 0.00 C ATOM 1395 CG LYS A 82 -6.870 -15.418 -12.648 1.00 0.00 C ATOM 1396 CD LYS A 82 -8.270 -15.900 -12.977 1.00 0.00 C ATOM 1397 CE LYS A 82 -8.307 -16.617 -14.318 1.00 0.00 C ATOM 1398 NZ LYS A 82 -9.686 -17.025 -14.691 1.00 0.00 N ATOM 0 H LYS A 82 -5.988 -12.409 -9.801 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.688 -14.764 -10.985 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.995 -15.441 -10.509 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.618 -13.978 -11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.528 -14.738 -13.428 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.186 -16.267 -12.642 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.619 -16.572 -12.193 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -8.954 -15.051 -12.997 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.900 -15.964 -15.090 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.667 -17.498 -14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.668 -17.510 -15.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.065 -17.669 -13.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -10.292 -16.182 -14.756 1.00 0.00 H new ATOM 1412 N ASN A 83 -4.012 -13.204 -12.790 1.00 0.00 N ATOM 1413 CA ASN A 83 -3.693 -12.469 -14.002 1.00 0.00 C ATOM 1414 C ASN A 83 -3.687 -13.428 -15.187 1.00 0.00 C ATOM 1415 O ASN A 83 -4.369 -13.202 -16.185 1.00 0.00 O ATOM 1416 CB ASN A 83 -2.353 -11.720 -13.875 1.00 0.00 C ATOM 1417 CG ASN A 83 -1.174 -12.625 -13.553 1.00 0.00 C ATOM 1418 OD1 ASN A 83 -0.891 -12.903 -12.389 1.00 0.00 O ATOM 1419 ND2 ASN A 83 -0.473 -13.078 -14.582 1.00 0.00 N ATOM 0 H ASN A 83 -3.273 -13.828 -12.464 1.00 0.00 H new ATOM 0 HA ASN A 83 -4.458 -11.710 -14.165 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.151 -11.194 -14.808 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.442 -10.964 -13.095 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.334 -13.681 -14.423 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.741 -12.824 -15.533 1.00 0.00 H new ATOM 1426 N ASN A 84 -2.933 -14.509 -15.061 1.00 0.00 N ATOM 1427 CA ASN A 84 -2.917 -15.562 -16.065 1.00 0.00 C ATOM 1428 C ASN A 84 -3.192 -16.892 -15.389 1.00 0.00 C ATOM 1429 O ASN A 84 -2.223 -17.614 -15.083 1.00 0.00 O ATOM 1430 CB ASN A 84 -1.566 -15.629 -16.796 1.00 0.00 C ATOM 1431 CG ASN A 84 -1.299 -14.444 -17.716 1.00 0.00 C ATOM 1432 OD1 ASN A 84 -1.685 -13.310 -17.434 1.00 0.00 O ATOM 1433 ND2 ASN A 84 -0.636 -14.703 -18.834 1.00 0.00 N ATOM 1434 OXT ASN A 84 -4.369 -17.188 -15.112 1.00 0.00 O ATOM 0 H ASN A 84 -2.318 -14.681 -14.265 1.00 0.00 H new ATOM 0 HA ASN A 84 -3.686 -15.342 -16.805 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -0.767 -15.689 -16.057 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.527 -16.547 -17.382 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.431 -13.951 -19.491 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -0.330 -15.655 -19.037 1.00 0.00 H new TER 1441 ASN A 84