USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 791 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 30 THR OG1 : rot 68:sc= 0.713 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.322 K(o=0.39,f=-2.6!) USER MOD Set 2.1: A 46 SER OG : rot 90:sc= 0.0588 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -0.245 K(o=-0.19,f=-1.5) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -0.12 K(o=-1.2,f=-6.7!) USER MOD Set 3.2: A 13 MET CE :methyl -175:sc= -1.08 (180deg=-0.403) USER MOD Single : A 9 TYR OH : rot -7:sc= 0.783 USER MOD Single : A 12 HIS : no HD1:sc= -0.174 K(o=-0.17,f=-0.87) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.98) USER MOD Single : A 20 THR OG1 : rot 74:sc= 0.169 USER MOD Single : A 23 GLN : amide:sc= -2.13! C(o=-2.1!,f=-2.9!) USER MOD Single : A 25 LYS NZ :NH3+ -137:sc=-0.00691 (180deg=-0.121) USER MOD Single : A 36 SER OG : rot 151:sc= 0.0329 USER MOD Single : A 49 SER OG : rot 110:sc= -0.959 USER MOD Single : A 51 GLN : amide:sc= -0.417 X(o=-0.42,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0321) USER MOD Single : A 58 SER OG : rot -13:sc= 1.14 USER MOD Single : A 63 THR OG1 : rot -138:sc= 0.951 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -135:sc= -2.08! (180deg=-3.65!) USER MOD Single : A 69 CYS SG : rot 111:sc= 0.837 USER MOD Single : A 74 TYR OH : rot -22:sc= 1.75 USER MOD Single : A 75 THR OG1 : rot -159:sc= 1.25 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 30:sc= 0.642 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.8 F(o=-1.9,f=-0.8) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -102:sc= 0.695 USER MOD Single : A 101 SER OG : rot 180:sc=-0.00818 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 57:sc= -0.248 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.336 -6.470 -12.063 1.00 0.00 N ATOM 60 CA GLY A 7 4.215 -5.567 -11.876 1.00 0.00 C ATOM 61 C GLY A 7 4.486 -4.519 -10.815 1.00 0.00 C ATOM 62 O GLY A 7 5.345 -3.655 -10.991 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.989 -5.073 -12.821 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.332 -6.142 -11.597 1.00 0.00 H new ATOM 66 N TRP A 8 3.751 -4.593 -9.713 1.00 0.00 N ATOM 67 CA TRP A 8 3.915 -3.642 -8.619 1.00 0.00 C ATOM 68 C TRP A 8 4.441 -4.337 -7.367 1.00 0.00 C ATOM 69 O TRP A 8 4.172 -3.904 -6.247 1.00 0.00 O ATOM 70 CB TRP A 8 2.585 -2.951 -8.312 1.00 0.00 C ATOM 71 CG TRP A 8 1.390 -3.796 -8.631 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.388 -3.502 -9.513 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.068 -5.074 -8.070 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.536 -4.519 -9.532 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.140 -5.496 -8.656 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.686 -5.903 -7.129 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.742 -6.708 -8.331 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.088 -7.107 -6.809 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.116 -7.500 -7.408 1.00 0.00 C ATOM 0 H TRP A 8 3.035 -5.301 -9.552 1.00 0.00 H new ATOM 0 HA TRP A 8 4.643 -2.892 -8.929 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.559 -2.681 -7.256 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.527 -2.022 -8.880 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.331 -2.602 -10.108 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.380 -4.543 -10.105 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.613 -5.608 -6.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.670 -7.012 -8.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.557 -7.756 -6.085 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.559 -8.447 -7.136 1.00 0.00 H new ATOM 90 N TYR A 9 5.191 -5.414 -7.566 1.00 0.00 N ATOM 91 CA TYR A 9 5.753 -6.169 -6.452 1.00 0.00 C ATOM 92 C TYR A 9 7.246 -5.892 -6.304 1.00 0.00 C ATOM 93 O TYR A 9 8.052 -6.303 -7.140 1.00 0.00 O ATOM 94 CB TYR A 9 5.519 -7.667 -6.655 1.00 0.00 C ATOM 95 CG TYR A 9 5.571 -8.467 -5.373 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.455 -8.573 -4.551 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.735 -9.116 -4.982 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.497 -9.302 -3.379 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.787 -9.849 -3.812 1.00 0.00 C ATOM 100 CZ TYR A 9 5.665 -9.939 -3.014 1.00 0.00 C ATOM 101 OH TYR A 9 5.712 -10.666 -1.846 1.00 0.00 O ATOM 0 H TYR A 9 5.424 -5.784 -8.487 1.00 0.00 H new ATOM 0 HA TYR A 9 5.250 -5.849 -5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.547 -7.814 -7.126 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.269 -8.053 -7.345 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.539 -8.076 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.615 -9.046 -5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.621 -9.373 -2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.700 -10.348 -3.524 1.00 0.00 H new ATOM 0 HH TYR A 9 4.877 -10.540 -1.348 1.00 0.00 H new ATOM 111 N HIS A 10 7.608 -5.192 -5.234 1.00 0.00 N ATOM 112 CA HIS A 10 9.004 -4.860 -4.973 1.00 0.00 C ATOM 113 C HIS A 10 9.704 -5.994 -4.230 1.00 0.00 C ATOM 114 O HIS A 10 10.750 -6.478 -4.659 1.00 0.00 O ATOM 115 CB HIS A 10 9.101 -3.567 -4.162 1.00 0.00 C ATOM 116 CG HIS A 10 8.896 -2.330 -4.980 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.925 -1.488 -5.342 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.770 -1.795 -5.508 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.443 -0.487 -6.056 1.00 0.00 C ATOM 120 NE2 HIS A 10 8.137 -0.650 -6.172 1.00 0.00 N ATOM 0 H HIS A 10 6.954 -4.844 -4.533 1.00 0.00 H new ATOM 0 HA HIS A 10 9.502 -4.717 -5.932 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.359 -3.592 -3.364 1.00 0.00 H new ATOM 0 HB3 HIS A 10 10.080 -3.519 -3.685 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.770 -2.194 -5.423 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.018 0.326 -6.474 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.504 -0.027 -6.673 1.00 0.00 H new ATOM 129 N GLY A 11 9.117 -6.414 -3.113 1.00 0.00 N ATOM 130 CA GLY A 11 9.698 -7.487 -2.328 1.00 0.00 C ATOM 131 C GLY A 11 10.466 -6.975 -1.125 1.00 0.00 C ATOM 132 O GLY A 11 9.895 -6.777 -0.053 1.00 0.00 O ATOM 0 H GLY A 11 8.250 -6.030 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.906 -8.157 -1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.366 -8.074 -2.959 1.00 0.00 H new ATOM 136 N HIS A 12 11.767 -6.762 -1.303 1.00 0.00 N ATOM 137 CA HIS A 12 12.615 -6.272 -0.223 1.00 0.00 C ATOM 138 C HIS A 12 12.376 -4.785 0.022 1.00 0.00 C ATOM 139 O HIS A 12 12.928 -3.935 -0.676 1.00 0.00 O ATOM 140 CB HIS A 12 14.088 -6.516 -0.553 1.00 0.00 C ATOM 141 CG HIS A 12 15.034 -5.811 0.370 1.00 0.00 C ATOM 142 ND1 HIS A 12 15.569 -4.570 0.095 1.00 0.00 N ATOM 143 CD2 HIS A 12 15.537 -6.178 1.572 1.00 0.00 C ATOM 144 CE1 HIS A 12 16.362 -4.206 1.086 1.00 0.00 C ATOM 145 NE2 HIS A 12 16.360 -5.164 1.996 1.00 0.00 N ATOM 0 H HIS A 12 12.255 -6.921 -2.184 1.00 0.00 H new ATOM 0 HA HIS A 12 12.358 -6.818 0.685 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.288 -7.587 -0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.281 -6.191 -1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.330 -7.097 2.099 1.00 0.00 H new ATOM 0 HE1 HIS A 12 16.918 -3.282 1.143 1.00 0.00 H new ATOM 0 HE2 HIS A 12 16.884 -5.152 2.871 1.00 0.00 H new ATOM 154 N MET A 13 11.552 -4.479 1.019 1.00 0.00 N ATOM 155 CA MET A 13 11.242 -3.095 1.356 1.00 0.00 C ATOM 156 C MET A 13 10.851 -2.967 2.825 1.00 0.00 C ATOM 157 O MET A 13 10.351 -3.916 3.428 1.00 0.00 O ATOM 158 CB MET A 13 10.110 -2.573 0.469 1.00 0.00 C ATOM 159 CG MET A 13 10.050 -1.056 0.391 1.00 0.00 C ATOM 160 SD MET A 13 8.889 -0.470 -0.859 1.00 0.00 S ATOM 161 CE MET A 13 9.883 -0.619 -2.341 1.00 0.00 C ATOM 0 H MET A 13 11.087 -5.171 1.607 1.00 0.00 H new ATOM 0 HA MET A 13 12.136 -2.497 1.182 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.232 -2.976 -0.536 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.159 -2.947 0.849 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.762 -0.657 1.364 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.044 -0.668 0.169 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.334 -0.210 -3.190 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.814 -0.068 -2.211 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.106 -1.670 -2.525 1.00 0.00 H new ATOM 171 N SER A 14 11.084 -1.790 3.395 1.00 0.00 N ATOM 172 CA SER A 14 10.761 -1.540 4.795 1.00 0.00 C ATOM 173 C SER A 14 9.766 -0.391 4.926 1.00 0.00 C ATOM 174 O SER A 14 9.672 0.466 4.049 1.00 0.00 O ATOM 175 CB SER A 14 12.032 -1.223 5.586 1.00 0.00 C ATOM 176 OG SER A 14 12.857 -2.368 5.705 1.00 0.00 O ATOM 0 H SER A 14 11.496 -0.993 2.909 1.00 0.00 H new ATOM 0 HA SER A 14 10.304 -2.441 5.203 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.583 -0.424 5.090 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.765 -0.858 6.578 1.00 0.00 H new ATOM 0 HG SER A 14 13.663 -2.139 6.213 1.00 0.00 H new ATOM 182 N GLY A 15 9.025 -0.381 6.030 1.00 0.00 N ATOM 183 CA GLY A 15 8.047 0.667 6.257 1.00 0.00 C ATOM 184 C GLY A 15 8.603 2.050 5.982 1.00 0.00 C ATOM 185 O GLY A 15 8.210 2.704 5.016 1.00 0.00 O ATOM 0 H GLY A 15 9.085 -1.080 6.771 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.180 0.494 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.699 0.617 7.289 1.00 0.00 H new ATOM 189 N GLY A 16 9.521 2.497 6.833 1.00 0.00 N ATOM 190 CA GLY A 16 10.116 3.809 6.660 1.00 0.00 C ATOM 191 C GLY A 16 10.524 4.076 5.224 1.00 0.00 C ATOM 192 O GLY A 16 10.516 5.222 4.773 1.00 0.00 O ATOM 0 H GLY A 16 9.863 1.974 7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.406 4.572 6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.990 3.896 7.305 1.00 0.00 H new ATOM 196 N GLN A 17 10.883 3.017 4.507 1.00 0.00 N ATOM 197 CA GLN A 17 11.298 3.144 3.114 1.00 0.00 C ATOM 198 C GLN A 17 10.105 3.445 2.215 1.00 0.00 C ATOM 199 O GLN A 17 10.019 4.518 1.619 1.00 0.00 O ATOM 200 CB GLN A 17 11.993 1.862 2.649 1.00 0.00 C ATOM 201 CG GLN A 17 13.050 2.096 1.582 1.00 0.00 C ATOM 202 CD GLN A 17 14.120 1.023 1.576 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.540 0.543 2.629 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.570 0.641 0.386 1.00 0.00 N ATOM 0 H GLN A 17 10.895 2.062 4.866 1.00 0.00 H new ATOM 0 HA GLN A 17 11.999 3.975 3.044 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.457 1.378 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.243 1.172 2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.571 2.132 0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.516 3.068 1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.194 1.065 -0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.292 -0.077 0.320 1.00 0.00 H new ATOM 213 N ALA A 18 9.185 2.489 2.121 1.00 0.00 N ATOM 214 CA ALA A 18 7.995 2.653 1.295 1.00 0.00 C ATOM 215 C ALA A 18 7.501 4.095 1.325 1.00 0.00 C ATOM 216 O ALA A 18 7.188 4.674 0.286 1.00 0.00 O ATOM 217 CB ALA A 18 6.897 1.706 1.758 1.00 0.00 C ATOM 0 H ALA A 18 9.242 1.594 2.607 1.00 0.00 H new ATOM 0 HA ALA A 18 8.260 2.409 0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.014 1.839 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.247 0.677 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.643 1.923 2.795 1.00 0.00 H new ATOM 223 N GLU A 19 7.431 4.668 2.523 1.00 0.00 N ATOM 224 CA GLU A 19 6.973 6.042 2.687 1.00 0.00 C ATOM 225 C GLU A 19 7.826 7.002 1.862 1.00 0.00 C ATOM 226 O GLU A 19 7.303 7.864 1.156 1.00 0.00 O ATOM 227 CB GLU A 19 7.014 6.445 4.162 1.00 0.00 C ATOM 228 CG GLU A 19 5.712 6.183 4.902 1.00 0.00 C ATOM 229 CD GLU A 19 5.783 6.575 6.364 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.893 6.538 6.936 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.728 6.921 6.938 1.00 0.00 O ATOM 0 H GLU A 19 7.686 4.202 3.394 1.00 0.00 H new ATOM 0 HA GLU A 19 5.944 6.099 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.819 5.901 4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.256 7.505 4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.907 6.737 4.420 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.461 5.125 4.825 1.00 0.00 H new ATOM 238 N THR A 20 9.142 6.847 1.959 1.00 0.00 N ATOM 239 CA THR A 20 10.068 7.699 1.225 1.00 0.00 C ATOM 240 C THR A 20 9.847 7.585 -0.279 1.00 0.00 C ATOM 241 O THR A 20 9.769 8.592 -0.983 1.00 0.00 O ATOM 242 CB THR A 20 11.533 7.344 1.545 1.00 0.00 C ATOM 243 OG1 THR A 20 11.768 7.458 2.953 1.00 0.00 O ATOM 244 CG2 THR A 20 12.488 8.257 0.791 1.00 0.00 C ATOM 0 H THR A 20 9.591 6.138 2.539 1.00 0.00 H new ATOM 0 HA THR A 20 9.872 8.723 1.542 1.00 0.00 H new ATOM 0 HB THR A 20 11.712 6.316 1.229 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.347 6.705 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.516 7.987 1.033 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.326 8.147 -0.281 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.307 9.292 1.081 1.00 0.00 H new ATOM 252 N LEU A 21 9.746 6.353 -0.765 1.00 0.00 N ATOM 253 CA LEU A 21 9.531 6.107 -2.187 1.00 0.00 C ATOM 254 C LEU A 21 8.216 6.721 -2.654 1.00 0.00 C ATOM 255 O LEU A 21 8.164 7.395 -3.684 1.00 0.00 O ATOM 256 CB LEU A 21 9.534 4.603 -2.471 1.00 0.00 C ATOM 257 CG LEU A 21 10.835 3.864 -2.155 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.823 3.348 -0.725 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.049 2.720 -3.136 1.00 0.00 C ATOM 0 H LEU A 21 9.809 5.509 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 21 10.346 6.577 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.730 4.143 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.300 4.452 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 21 11.663 4.565 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.757 2.825 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.717 4.186 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.986 2.662 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.979 2.205 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.217 2.019 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.104 3.116 -4.150 1.00 0.00 H new ATOM 271 N LEU A 22 7.155 6.485 -1.890 1.00 0.00 N ATOM 272 CA LEU A 22 5.838 7.018 -2.224 1.00 0.00 C ATOM 273 C LEU A 22 5.823 8.539 -2.120 1.00 0.00 C ATOM 274 O LEU A 22 5.622 9.236 -3.114 1.00 0.00 O ATOM 275 CB LEU A 22 4.776 6.421 -1.299 1.00 0.00 C ATOM 276 CG LEU A 22 4.362 4.979 -1.593 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.606 4.388 -0.414 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.517 4.915 -2.858 1.00 0.00 C ATOM 0 H LEU A 22 7.180 5.929 -1.036 1.00 0.00 H new ATOM 0 HA LEU A 22 5.612 6.741 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.146 6.470 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.887 7.050 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 22 5.264 4.388 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.320 3.361 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.244 4.399 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.711 4.980 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.231 3.881 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.621 5.521 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.094 5.297 -3.701 1.00 0.00 H new ATOM 290 N GLN A 23 6.039 9.047 -0.910 1.00 0.00 N ATOM 291 CA GLN A 23 6.052 10.486 -0.677 1.00 0.00 C ATOM 292 C GLN A 23 6.925 11.196 -1.707 1.00 0.00 C ATOM 293 O GLN A 23 6.515 12.194 -2.300 1.00 0.00 O ATOM 294 CB GLN A 23 6.557 10.791 0.734 1.00 0.00 C ATOM 295 CG GLN A 23 5.564 10.431 1.827 1.00 0.00 C ATOM 296 CD GLN A 23 6.094 10.723 3.216 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.305 10.794 3.430 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.188 10.894 4.172 1.00 0.00 N ATOM 0 H GLN A 23 6.207 8.483 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 23 5.031 10.854 -0.777 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.485 10.246 0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.793 11.853 0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.640 10.987 1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.315 9.372 1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.195 10.827 3.951 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.486 11.093 5.127 1.00 0.00 H new ATOM 307 N ALA A 24 8.129 10.675 -1.915 1.00 0.00 N ATOM 308 CA ALA A 24 9.058 11.259 -2.875 1.00 0.00 C ATOM 309 C ALA A 24 8.424 11.365 -4.257 1.00 0.00 C ATOM 310 O ALA A 24 8.575 12.376 -4.945 1.00 0.00 O ATOM 311 CB ALA A 24 10.336 10.435 -2.939 1.00 0.00 C ATOM 0 H ALA A 24 8.484 9.850 -1.432 1.00 0.00 H new ATOM 0 HA ALA A 24 9.304 12.266 -2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.021 10.882 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.806 10.415 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.098 9.417 -3.248 1.00 0.00 H new ATOM 317 N LYS A 25 7.715 10.317 -4.661 1.00 0.00 N ATOM 318 CA LYS A 25 7.058 10.292 -5.962 1.00 0.00 C ATOM 319 C LYS A 25 6.127 11.490 -6.124 1.00 0.00 C ATOM 320 O LYS A 25 5.981 12.031 -7.219 1.00 0.00 O ATOM 321 CB LYS A 25 6.268 8.992 -6.133 1.00 0.00 C ATOM 322 CG LYS A 25 5.702 8.803 -7.530 1.00 0.00 C ATOM 323 CD LYS A 25 6.737 8.217 -8.476 1.00 0.00 C ATOM 324 CE LYS A 25 6.440 8.584 -9.922 1.00 0.00 C ATOM 325 NZ LYS A 25 6.743 10.014 -10.205 1.00 0.00 N ATOM 0 H LYS A 25 7.581 9.472 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 25 7.828 10.346 -6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.917 8.149 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.449 8.977 -5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.834 8.145 -7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.356 9.762 -7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.728 8.580 -8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.755 7.132 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.028 7.950 -10.586 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.390 8.385 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.979 10.423 -10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.820 10.536 -9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.642 10.082 -10.724 1.00 0.00 H new ATOM 339 N GLY A 26 5.500 11.899 -5.025 1.00 0.00 N ATOM 340 CA GLY A 26 4.593 13.031 -5.067 1.00 0.00 C ATOM 341 C GLY A 26 3.394 12.781 -5.962 1.00 0.00 C ATOM 342 O GLY A 26 2.759 13.721 -6.435 1.00 0.00 O ATOM 0 H GLY A 26 5.604 11.467 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.248 13.254 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.130 13.910 -5.422 1.00 0.00 H new ATOM 346 N GLU A 27 3.087 11.507 -6.194 1.00 0.00 N ATOM 347 CA GLU A 27 1.958 11.138 -7.040 1.00 0.00 C ATOM 348 C GLU A 27 0.818 10.560 -6.206 1.00 0.00 C ATOM 349 O GLU A 27 0.972 9.557 -5.509 1.00 0.00 O ATOM 350 CB GLU A 27 2.396 10.121 -8.097 1.00 0.00 C ATOM 351 CG GLU A 27 2.938 10.758 -9.365 1.00 0.00 C ATOM 352 CD GLU A 27 2.722 9.892 -10.591 1.00 0.00 C ATOM 353 OE1 GLU A 27 2.865 8.656 -10.476 1.00 0.00 O ATOM 354 OE2 GLU A 27 2.409 10.449 -11.664 1.00 0.00 O ATOM 0 H GLU A 27 3.603 10.716 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 27 1.600 12.039 -7.538 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.161 9.473 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.547 9.487 -8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.455 11.723 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.004 10.950 -9.244 1.00 0.00 H new ATOM 361 N PRO A 28 -0.353 11.209 -6.276 1.00 0.00 N ATOM 362 CA PRO A 28 -1.541 10.780 -5.533 1.00 0.00 C ATOM 363 C PRO A 28 -2.121 9.475 -6.071 1.00 0.00 C ATOM 364 O PRO A 28 -2.114 9.233 -7.278 1.00 0.00 O ATOM 365 CB PRO A 28 -2.529 11.931 -5.746 1.00 0.00 C ATOM 366 CG PRO A 28 -2.103 12.562 -7.027 1.00 0.00 C ATOM 367 CD PRO A 28 -0.608 12.413 -7.085 1.00 0.00 C ATOM 0 HA PRO A 28 -1.316 10.582 -4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.555 11.567 -5.806 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.491 12.643 -4.922 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.577 12.074 -7.879 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.392 13.612 -7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.256 12.291 -8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.101 13.287 -6.676 1.00 0.00 H new ATOM 375 N TRP A 29 -2.620 8.639 -5.167 1.00 0.00 N ATOM 376 CA TRP A 29 -3.203 7.359 -5.551 1.00 0.00 C ATOM 377 C TRP A 29 -2.130 6.403 -6.061 1.00 0.00 C ATOM 378 O TRP A 29 -2.383 5.581 -6.942 1.00 0.00 O ATOM 379 CB TRP A 29 -4.272 7.563 -6.626 1.00 0.00 C ATOM 380 CG TRP A 29 -5.141 8.760 -6.379 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.508 9.709 -7.291 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.748 9.137 -5.139 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.307 10.652 -6.693 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.471 10.323 -5.372 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.755 8.586 -3.855 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.190 10.967 -4.369 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.469 9.226 -2.859 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.178 10.405 -3.121 1.00 0.00 C ATOM 0 H TRP A 29 -2.632 8.825 -4.164 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.665 6.920 -4.667 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.786 7.669 -7.596 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.898 6.673 -6.679 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.213 9.716 -8.330 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.713 11.465 -7.156 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.212 7.676 -3.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.737 11.877 -4.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.480 8.810 -1.862 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.727 10.881 -2.322 1.00 0.00 H new ATOM 399 N THR A 30 -0.930 6.514 -5.499 1.00 0.00 N ATOM 400 CA THR A 30 0.182 5.660 -5.897 1.00 0.00 C ATOM 401 C THR A 30 0.333 4.476 -4.949 1.00 0.00 C ATOM 402 O THR A 30 0.939 4.595 -3.883 1.00 0.00 O ATOM 403 CB THR A 30 1.507 6.444 -5.936 1.00 0.00 C ATOM 404 OG1 THR A 30 1.401 7.541 -6.850 1.00 0.00 O ATOM 405 CG2 THR A 30 2.659 5.541 -6.351 1.00 0.00 C ATOM 0 H THR A 30 -0.704 7.187 -4.767 1.00 0.00 H new ATOM 0 HA THR A 30 -0.044 5.294 -6.898 1.00 0.00 H new ATOM 0 HB THR A 30 1.707 6.824 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.768 8.201 -6.497 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.584 6.117 -6.371 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.756 4.724 -5.636 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.463 5.134 -7.343 1.00 0.00 H new ATOM 413 N PHE A 31 -0.222 3.334 -5.341 1.00 0.00 N ATOM 414 CA PHE A 31 -0.149 2.129 -4.525 1.00 0.00 C ATOM 415 C PHE A 31 1.073 1.293 -4.898 1.00 0.00 C ATOM 416 O PHE A 31 1.582 1.381 -6.015 1.00 0.00 O ATOM 417 CB PHE A 31 -1.421 1.295 -4.694 1.00 0.00 C ATOM 418 CG PHE A 31 -1.476 0.540 -5.991 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.990 1.134 -7.132 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.013 -0.764 -6.069 1.00 0.00 C ATOM 421 CE1 PHE A 31 -2.041 0.442 -8.328 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.062 -1.461 -7.261 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.577 -0.858 -8.391 1.00 0.00 C ATOM 0 H PHE A 31 -0.727 3.218 -6.219 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.057 2.432 -3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.494 0.588 -3.868 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.288 1.952 -4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.355 2.149 -7.087 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.609 -1.241 -5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.443 0.917 -9.211 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.698 -2.477 -7.309 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.617 -1.402 -9.323 1.00 0.00 H new ATOM 433 N LEU A 32 1.537 0.482 -3.952 1.00 0.00 N ATOM 434 CA LEU A 32 2.700 -0.369 -4.179 1.00 0.00 C ATOM 435 C LEU A 32 2.720 -1.535 -3.196 1.00 0.00 C ATOM 436 O LEU A 32 2.588 -1.344 -1.988 1.00 0.00 O ATOM 437 CB LEU A 32 3.987 0.445 -4.050 1.00 0.00 C ATOM 438 CG LEU A 32 4.568 0.562 -2.640 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.417 -0.657 -2.310 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.386 1.838 -2.504 1.00 0.00 C ATOM 0 H LEU A 32 1.126 0.396 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 32 2.634 -0.771 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.742 -0.002 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.797 1.450 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 32 3.742 0.607 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.822 -0.556 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.802 -1.555 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.236 -0.734 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.791 1.904 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.205 1.824 -3.224 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.749 2.701 -2.696 1.00 0.00 H new ATOM 452 N VAL A 33 2.890 -2.745 -3.723 1.00 0.00 N ATOM 453 CA VAL A 33 2.931 -3.942 -2.892 1.00 0.00 C ATOM 454 C VAL A 33 4.352 -4.235 -2.423 1.00 0.00 C ATOM 455 O VAL A 33 5.315 -4.035 -3.163 1.00 0.00 O ATOM 456 CB VAL A 33 2.387 -5.168 -3.646 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.113 -6.312 -2.681 1.00 0.00 C ATOM 458 CG2 VAL A 33 1.130 -4.802 -4.421 1.00 0.00 C ATOM 0 H VAL A 33 3.001 -2.921 -4.722 1.00 0.00 H new ATOM 0 HA VAL A 33 2.298 -3.749 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 33 3.143 -5.499 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.729 -7.170 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.037 -6.591 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.376 -5.996 -1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.759 -5.681 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.367 -4.445 -3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.362 -4.018 -5.142 1.00 0.00 H new ATOM 468 N ARG A 34 4.476 -4.714 -1.189 1.00 0.00 N ATOM 469 CA ARG A 34 5.780 -5.036 -0.621 1.00 0.00 C ATOM 470 C ARG A 34 5.653 -6.111 0.454 1.00 0.00 C ATOM 471 O ARG A 34 4.893 -5.960 1.409 1.00 0.00 O ATOM 472 CB ARG A 34 6.425 -3.781 -0.029 1.00 0.00 C ATOM 473 CG ARG A 34 5.450 -2.891 0.723 1.00 0.00 C ATOM 474 CD ARG A 34 6.154 -1.698 1.349 1.00 0.00 C ATOM 475 NE ARG A 34 6.907 -2.072 2.544 1.00 0.00 N ATOM 476 CZ ARG A 34 6.339 -2.460 3.679 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.017 -2.525 3.775 1.00 0.00 N ATOM 478 NH2 ARG A 34 7.091 -2.784 4.723 1.00 0.00 N ATOM 0 H ARG A 34 3.689 -4.888 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 34 6.413 -5.419 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.227 -4.079 0.647 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.884 -3.205 -0.833 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.675 -2.541 0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.952 -3.470 1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.830 -1.252 0.619 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.418 -0.937 1.608 1.00 0.00 H new ATOM 0 HE ARG A 34 7.925 -2.033 2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.435 -2.276 2.975 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.583 -2.824 4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.107 -2.735 4.654 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.653 -3.082 5.594 1.00 0.00 H new ATOM 492 N GLU A 35 6.404 -7.197 0.289 1.00 0.00 N ATOM 493 CA GLU A 35 6.374 -8.297 1.244 1.00 0.00 C ATOM 494 C GLU A 35 6.297 -7.773 2.676 1.00 0.00 C ATOM 495 O GLU A 35 6.616 -6.615 2.941 1.00 0.00 O ATOM 496 CB GLU A 35 7.614 -9.179 1.079 1.00 0.00 C ATOM 497 CG GLU A 35 7.363 -10.645 1.389 1.00 0.00 C ATOM 498 CD GLU A 35 8.585 -11.337 1.964 1.00 0.00 C ATOM 499 OE1 GLU A 35 9.020 -10.948 3.068 1.00 0.00 O ATOM 500 OE2 GLU A 35 9.104 -12.265 1.310 1.00 0.00 O ATOM 0 H GLU A 35 7.039 -7.337 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 35 5.483 -8.893 1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.979 -9.090 0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.403 -8.808 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.537 -10.727 2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.055 -11.158 0.478 1.00 0.00 H new ATOM 507 N SER A 36 5.871 -8.635 3.593 1.00 0.00 N ATOM 508 CA SER A 36 5.747 -8.259 4.996 1.00 0.00 C ATOM 509 C SER A 36 6.932 -8.780 5.805 1.00 0.00 C ATOM 510 O SER A 36 7.024 -9.973 6.095 1.00 0.00 O ATOM 511 CB SER A 36 4.441 -8.801 5.579 1.00 0.00 C ATOM 512 OG SER A 36 3.954 -7.961 6.610 1.00 0.00 O ATOM 0 H SER A 36 5.606 -9.599 3.390 1.00 0.00 H new ATOM 0 HA SER A 36 5.738 -7.171 5.055 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.694 -8.883 4.790 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.603 -9.805 5.970 1.00 0.00 H new ATOM 0 HG SER A 36 2.977 -8.022 6.647 1.00 0.00 H new ATOM 586 N ASP A 42 3.127 -12.736 4.995 1.00 0.00 N ATOM 587 CA ASP A 42 2.092 -11.715 4.887 1.00 0.00 C ATOM 588 C ASP A 42 2.477 -10.658 3.855 1.00 0.00 C ATOM 589 O ASP A 42 3.627 -10.592 3.419 1.00 0.00 O ATOM 590 CB ASP A 42 1.853 -11.055 6.245 1.00 0.00 C ATOM 591 CG ASP A 42 0.684 -10.090 6.223 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.468 -10.551 6.362 1.00 0.00 O ATOM 593 OD2 ASP A 42 0.922 -8.873 6.066 1.00 0.00 O ATOM 0 HA ASP A 42 1.172 -12.199 4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.669 -11.826 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.754 -10.523 6.550 1.00 0.00 H new ATOM 598 N PHE A 43 1.508 -9.836 3.467 1.00 0.00 N ATOM 599 CA PHE A 43 1.745 -8.784 2.486 1.00 0.00 C ATOM 600 C PHE A 43 1.201 -7.446 2.981 1.00 0.00 C ATOM 601 O PHE A 43 0.527 -7.378 4.008 1.00 0.00 O ATOM 602 CB PHE A 43 1.095 -9.148 1.149 1.00 0.00 C ATOM 603 CG PHE A 43 1.597 -10.441 0.572 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.184 -11.656 1.093 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.483 -10.439 -0.493 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.644 -12.847 0.564 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.947 -11.627 -1.028 1.00 0.00 C ATOM 608 CZ PHE A 43 2.528 -12.832 -0.498 1.00 0.00 C ATOM 0 H PHE A 43 0.551 -9.878 3.817 1.00 0.00 H new ATOM 0 HA PHE A 43 2.822 -8.689 2.345 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.016 -9.215 1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.277 -8.345 0.435 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.494 -11.673 1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.815 -9.500 -0.910 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.313 -13.787 0.980 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.636 -11.613 -1.859 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.891 -13.761 -0.913 1.00 0.00 H new ATOM 618 N VAL A 44 1.501 -6.383 2.240 1.00 0.00 N ATOM 619 CA VAL A 44 1.043 -5.047 2.602 1.00 0.00 C ATOM 620 C VAL A 44 0.719 -4.222 1.361 1.00 0.00 C ATOM 621 O VAL A 44 1.372 -4.357 0.325 1.00 0.00 O ATOM 622 CB VAL A 44 2.098 -4.300 3.439 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.610 -2.902 3.789 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.433 -5.087 4.698 1.00 0.00 C ATOM 0 H VAL A 44 2.058 -6.422 1.387 1.00 0.00 H new ATOM 0 HA VAL A 44 0.139 -5.173 3.198 1.00 0.00 H new ATOM 0 HB VAL A 44 3.007 -4.204 2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.369 -2.389 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.424 -2.342 2.873 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.687 -2.972 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.180 -4.545 5.278 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.532 -5.216 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.828 -6.065 4.422 1.00 0.00 H new ATOM 634 N LEU A 45 -0.291 -3.368 1.473 1.00 0.00 N ATOM 635 CA LEU A 45 -0.703 -2.520 0.359 1.00 0.00 C ATOM 636 C LEU A 45 -0.554 -1.045 0.715 1.00 0.00 C ATOM 637 O LEU A 45 -1.482 -0.425 1.237 1.00 0.00 O ATOM 638 CB LEU A 45 -2.152 -2.820 -0.028 1.00 0.00 C ATOM 639 CG LEU A 45 -2.803 -1.839 -1.004 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.312 -2.091 -2.421 1.00 0.00 C ATOM 641 CD2 LEU A 45 -4.319 -1.946 -0.935 1.00 0.00 C ATOM 0 H LEU A 45 -0.840 -3.244 2.323 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.055 -2.737 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.191 -3.817 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.752 -2.848 0.882 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.517 -0.827 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.786 -1.384 -3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.230 -1.962 -2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.567 -3.108 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.766 -1.241 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.624 -2.959 -1.195 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.654 -1.714 0.076 1.00 0.00 H new ATOM 653 N SER A 46 0.617 -0.486 0.428 1.00 0.00 N ATOM 654 CA SER A 46 0.888 0.917 0.719 1.00 0.00 C ATOM 655 C SER A 46 0.379 1.813 -0.407 1.00 0.00 C ATOM 656 O SER A 46 0.564 1.513 -1.586 1.00 0.00 O ATOM 657 CB SER A 46 2.388 1.137 0.924 1.00 0.00 C ATOM 658 OG SER A 46 2.630 2.284 1.721 1.00 0.00 O ATOM 0 H SER A 46 1.394 -0.984 -0.006 1.00 0.00 H new ATOM 0 HA SER A 46 0.361 1.181 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.826 0.260 1.401 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.878 1.252 -0.043 1.00 0.00 H new ATOM 0 HG SER A 46 2.654 2.026 2.666 1.00 0.00 H new ATOM 664 N VAL A 47 -0.263 2.916 -0.032 1.00 0.00 N ATOM 665 CA VAL A 47 -0.797 3.858 -1.009 1.00 0.00 C ATOM 666 C VAL A 47 -0.580 5.298 -0.559 1.00 0.00 C ATOM 667 O VAL A 47 -0.717 5.618 0.623 1.00 0.00 O ATOM 668 CB VAL A 47 -2.301 3.626 -1.246 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.871 4.706 -2.153 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.540 2.244 -1.835 1.00 0.00 C ATOM 0 H VAL A 47 -0.426 3.179 0.940 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.259 3.688 -1.942 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.815 3.681 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.935 4.526 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.733 5.682 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.355 4.685 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.608 2.097 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.014 2.158 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.169 1.486 -1.146 1.00 0.00 H new ATOM 680 N LEU A 48 -0.243 6.163 -1.508 1.00 0.00 N ATOM 681 CA LEU A 48 -0.007 7.572 -1.210 1.00 0.00 C ATOM 682 C LEU A 48 -1.265 8.398 -1.458 1.00 0.00 C ATOM 683 O LEU A 48 -1.538 8.808 -2.586 1.00 0.00 O ATOM 684 CB LEU A 48 1.145 8.108 -2.062 1.00 0.00 C ATOM 685 CG LEU A 48 1.692 9.479 -1.663 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.367 9.409 -0.301 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.664 9.992 -2.715 1.00 0.00 C ATOM 0 H LEU A 48 -0.127 5.914 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 48 0.259 7.656 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.963 7.388 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.811 8.160 -3.098 1.00 0.00 H new ATOM 0 HG LEU A 48 0.857 10.177 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.750 10.394 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.644 9.086 0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.192 8.697 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.043 10.969 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.496 9.294 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.150 10.081 -3.672 1.00 0.00 H new ATOM 699 N SER A 49 -2.027 8.641 -0.395 1.00 0.00 N ATOM 700 CA SER A 49 -3.257 9.417 -0.498 1.00 0.00 C ATOM 701 C SER A 49 -2.973 10.816 -1.036 1.00 0.00 C ATOM 702 O SER A 49 -1.936 11.409 -0.739 1.00 0.00 O ATOM 703 CB SER A 49 -3.940 9.513 0.868 1.00 0.00 C ATOM 704 OG SER A 49 -3.030 9.949 1.863 1.00 0.00 O ATOM 0 H SER A 49 -1.814 8.312 0.546 1.00 0.00 H new ATOM 0 HA SER A 49 -3.922 8.907 -1.194 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.780 10.205 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.347 8.540 1.144 1.00 0.00 H new ATOM 0 HG SER A 49 -3.263 10.859 2.143 1.00 0.00 H new ATOM 710 N ASP A 50 -3.902 11.337 -1.831 1.00 0.00 N ATOM 711 CA ASP A 50 -3.754 12.667 -2.411 1.00 0.00 C ATOM 712 C ASP A 50 -3.836 13.743 -1.332 1.00 0.00 C ATOM 713 O ASP A 50 -3.671 14.929 -1.614 1.00 0.00 O ATOM 714 CB ASP A 50 -4.829 12.906 -3.471 1.00 0.00 C ATOM 715 CG ASP A 50 -6.081 13.538 -2.894 1.00 0.00 C ATOM 716 OD1 ASP A 50 -6.454 13.184 -1.755 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.688 14.387 -3.579 1.00 0.00 O ATOM 0 H ASP A 50 -4.765 10.858 -2.088 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.772 12.725 -2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.427 13.551 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.088 11.958 -3.942 1.00 0.00 H new ATOM 722 N GLN A 51 -4.093 13.319 -0.100 1.00 0.00 N ATOM 723 CA GLN A 51 -4.198 14.247 1.020 1.00 0.00 C ATOM 724 C GLN A 51 -2.831 14.503 1.647 1.00 0.00 C ATOM 725 O GLN A 51 -2.195 13.602 2.194 1.00 0.00 O ATOM 726 CB GLN A 51 -5.162 13.699 2.075 1.00 0.00 C ATOM 727 CG GLN A 51 -6.540 13.365 1.526 1.00 0.00 C ATOM 728 CD GLN A 51 -7.221 12.252 2.297 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.835 12.489 3.338 1.00 0.00 O ATOM 730 NE2 GLN A 51 -7.116 11.030 1.789 1.00 0.00 N ATOM 0 H GLN A 51 -4.232 12.340 0.149 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.585 15.193 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.730 12.802 2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.267 14.432 2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.165 14.258 1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.449 13.074 0.479 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.597 10.880 0.924 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -7.554 10.241 2.264 1.00 0.00 H new ATOM 739 N PRO A 52 -2.368 15.759 1.565 1.00 0.00 N ATOM 740 CA PRO A 52 -1.072 16.162 2.118 1.00 0.00 C ATOM 741 C PRO A 52 -1.065 16.154 3.643 1.00 0.00 C ATOM 742 O PRO A 52 -2.097 16.368 4.280 1.00 0.00 O ATOM 743 CB PRO A 52 -0.888 17.586 1.590 1.00 0.00 C ATOM 744 CG PRO A 52 -2.272 18.082 1.349 1.00 0.00 C ATOM 745 CD PRO A 52 -3.074 16.881 0.926 1.00 0.00 C ATOM 0 HA PRO A 52 -0.274 15.479 1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.363 18.211 2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.299 17.595 0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.688 18.531 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.282 18.850 0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.108 16.949 1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.098 16.775 -0.159 1.00 0.00 H new ATOM 753 N LYS A 53 0.104 15.906 4.224 1.00 0.00 N ATOM 754 CA LYS A 53 0.247 15.873 5.675 1.00 0.00 C ATOM 755 C LYS A 53 -0.150 17.210 6.292 1.00 0.00 C ATOM 756 O LYS A 53 -0.885 17.255 7.278 1.00 0.00 O ATOM 757 CB LYS A 53 1.688 15.529 6.058 1.00 0.00 C ATOM 758 CG LYS A 53 2.060 14.081 5.790 1.00 0.00 C ATOM 759 CD LYS A 53 3.486 13.783 6.224 1.00 0.00 C ATOM 760 CE LYS A 53 3.544 13.347 7.681 1.00 0.00 C ATOM 761 NZ LYS A 53 3.385 11.874 7.825 1.00 0.00 N ATOM 0 H LYS A 53 0.967 15.725 3.712 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.419 15.103 6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.367 16.178 5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.835 15.743 7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.372 13.423 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.950 13.867 4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.904 13.000 5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.104 14.670 6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.496 13.654 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.760 13.854 8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.126 11.647 8.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.637 11.541 7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.281 11.403 7.586 1.00 0.00 H new ATOM 775 N ALA A 54 0.340 18.297 5.704 1.00 0.00 N ATOM 776 CA ALA A 54 0.033 19.634 6.194 1.00 0.00 C ATOM 777 C ALA A 54 -0.666 20.464 5.122 1.00 0.00 C ATOM 778 O ALA A 54 -1.695 21.087 5.380 1.00 0.00 O ATOM 779 CB ALA A 54 1.304 20.330 6.658 1.00 0.00 C ATOM 0 H ALA A 54 0.951 18.277 4.888 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.646 19.537 7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.060 21.328 7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.762 19.753 7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.001 20.408 5.824 1.00 0.00 H new ATOM 785 N GLY A 55 -0.098 20.469 3.920 1.00 0.00 N ATOM 786 CA GLY A 55 -0.680 21.228 2.828 1.00 0.00 C ATOM 787 C GLY A 55 0.155 21.161 1.566 1.00 0.00 C ATOM 788 O GLY A 55 0.825 20.164 1.290 1.00 0.00 O ATOM 0 H GLY A 55 0.754 19.961 3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.680 20.849 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.791 22.269 3.132 1.00 0.00 H new ATOM 792 N PRO A 56 0.122 22.241 0.771 1.00 0.00 N ATOM 793 CA PRO A 56 0.875 22.324 -0.483 1.00 0.00 C ATOM 794 C PRO A 56 2.379 22.420 -0.251 1.00 0.00 C ATOM 795 O PRO A 56 2.949 23.511 -0.253 1.00 0.00 O ATOM 796 CB PRO A 56 0.350 23.609 -1.128 1.00 0.00 C ATOM 797 CG PRO A 56 -0.133 24.435 0.014 1.00 0.00 C ATOM 798 CD PRO A 56 -0.654 23.464 1.036 1.00 0.00 C ATOM 0 HA PRO A 56 0.739 21.435 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.135 24.122 -1.684 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.454 23.398 -1.833 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.674 25.040 0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.916 25.123 -0.305 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.497 23.827 2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.724 23.294 0.920 1.00 0.00 H new ATOM 806 N GLY A 57 3.018 21.271 -0.051 1.00 0.00 N ATOM 807 CA GLY A 57 4.450 21.250 0.179 1.00 0.00 C ATOM 808 C GLY A 57 4.889 20.042 0.983 1.00 0.00 C ATOM 809 O GLY A 57 6.040 19.612 0.894 1.00 0.00 O ATOM 0 H GLY A 57 2.569 20.355 -0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.969 21.253 -0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.744 22.159 0.704 1.00 0.00 H new ATOM 813 N SER A 58 3.971 19.493 1.773 1.00 0.00 N ATOM 814 CA SER A 58 4.272 18.331 2.601 1.00 0.00 C ATOM 815 C SER A 58 4.112 17.040 1.805 1.00 0.00 C ATOM 816 O SER A 58 3.347 16.965 0.842 1.00 0.00 O ATOM 817 CB SER A 58 3.358 18.303 3.828 1.00 0.00 C ATOM 818 OG SER A 58 2.000 18.165 3.449 1.00 0.00 O ATOM 0 H SER A 58 3.013 19.834 1.857 1.00 0.00 H new ATOM 0 HA SER A 58 5.308 18.409 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.643 17.476 4.479 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.487 19.220 4.403 1.00 0.00 H new ATOM 0 HG SER A 58 1.911 18.325 2.486 1.00 0.00 H new ATOM 824 N PRO A 59 4.851 15.998 2.213 1.00 0.00 N ATOM 825 CA PRO A 59 4.809 14.690 1.552 1.00 0.00 C ATOM 826 C PRO A 59 3.485 13.968 1.781 1.00 0.00 C ATOM 827 O PRO A 59 3.161 13.586 2.906 1.00 0.00 O ATOM 828 CB PRO A 59 5.958 13.923 2.211 1.00 0.00 C ATOM 829 CG PRO A 59 6.127 14.564 3.545 1.00 0.00 C ATOM 830 CD PRO A 59 5.784 16.016 3.352 1.00 0.00 C ATOM 0 HA PRO A 59 4.902 14.776 0.469 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.722 12.863 2.308 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.871 13.993 1.620 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.473 14.103 4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.149 14.449 3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.322 16.442 4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.670 16.613 3.136 1.00 0.00 H new ATOM 838 N LEU A 60 2.726 13.781 0.707 1.00 0.00 N ATOM 839 CA LEU A 60 1.437 13.102 0.790 1.00 0.00 C ATOM 840 C LEU A 60 1.470 11.998 1.843 1.00 0.00 C ATOM 841 O LEU A 60 2.506 11.373 2.068 1.00 0.00 O ATOM 842 CB LEU A 60 1.058 12.515 -0.570 1.00 0.00 C ATOM 843 CG LEU A 60 0.661 13.523 -1.650 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.498 12.829 -2.993 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.620 14.244 -1.259 1.00 0.00 C ATOM 0 H LEU A 60 2.980 14.090 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 60 0.686 13.836 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.901 11.931 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.229 11.822 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 60 1.456 14.263 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.215 13.561 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.440 12.360 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.278 12.068 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.888 14.957 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.424 13.518 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.467 14.774 -0.319 1.00 0.00 H new ATOM 857 N ARG A 61 0.328 11.764 2.482 1.00 0.00 N ATOM 858 CA ARG A 61 0.227 10.735 3.510 1.00 0.00 C ATOM 859 C ARG A 61 0.321 9.341 2.895 1.00 0.00 C ATOM 860 O ARG A 61 -0.137 9.113 1.775 1.00 0.00 O ATOM 861 CB ARG A 61 -1.090 10.878 4.276 1.00 0.00 C ATOM 862 CG ARG A 61 -1.024 10.357 5.703 1.00 0.00 C ATOM 863 CD ARG A 61 -0.465 11.407 6.652 1.00 0.00 C ATOM 864 NE ARG A 61 -0.659 11.037 8.052 1.00 0.00 N ATOM 865 CZ ARG A 61 -1.834 11.089 8.670 1.00 0.00 C ATOM 866 NH1 ARG A 61 -2.914 11.494 8.015 1.00 0.00 N ATOM 867 NH2 ARG A 61 -1.930 10.737 9.945 1.00 0.00 N ATOM 0 H ARG A 61 -0.539 12.272 2.306 1.00 0.00 H new ATOM 0 HA ARG A 61 1.059 10.865 4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.377 11.929 4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.873 10.343 3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.021 10.062 6.031 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.400 9.464 5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.599 11.543 6.457 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.949 12.364 6.459 1.00 0.00 H new ATOM 0 HE ARG A 61 0.152 10.721 8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.844 11.766 7.035 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.815 11.533 8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.101 10.426 10.452 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.832 10.777 10.419 1.00 0.00 H new ATOM 881 N VAL A 62 0.918 8.413 3.635 1.00 0.00 N ATOM 882 CA VAL A 62 1.073 7.041 3.164 1.00 0.00 C ATOM 883 C VAL A 62 0.243 6.075 4.001 1.00 0.00 C ATOM 884 O VAL A 62 0.491 5.898 5.194 1.00 0.00 O ATOM 885 CB VAL A 62 2.547 6.598 3.200 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.693 5.181 2.666 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.414 7.566 2.410 1.00 0.00 C ATOM 0 H VAL A 62 1.303 8.586 4.564 1.00 0.00 H new ATOM 0 HA VAL A 62 0.720 7.019 2.133 1.00 0.00 H new ATOM 0 HB VAL A 62 2.885 6.606 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.742 4.886 2.699 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.104 4.499 3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.338 5.142 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.453 7.237 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.078 7.593 1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.334 8.563 2.843 1.00 0.00 H new ATOM 897 N THR A 63 -0.747 5.452 3.369 1.00 0.00 N ATOM 898 CA THR A 63 -1.616 4.504 4.055 1.00 0.00 C ATOM 899 C THR A 63 -1.008 3.106 4.060 1.00 0.00 C ATOM 900 O THR A 63 -0.731 2.534 3.005 1.00 0.00 O ATOM 901 CB THR A 63 -3.008 4.443 3.401 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.656 5.716 3.506 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.870 3.376 4.059 1.00 0.00 C ATOM 0 H THR A 63 -0.967 5.587 2.382 1.00 0.00 H new ATOM 0 HA THR A 63 -1.720 4.856 5.081 1.00 0.00 H new ATOM 0 HB THR A 63 -2.878 4.186 2.350 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.599 5.585 3.739 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.849 3.352 3.580 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.390 2.403 3.952 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.990 3.607 5.117 1.00 0.00 H new ATOM 911 N HIS A 64 -0.803 2.560 5.255 1.00 0.00 N ATOM 912 CA HIS A 64 -0.228 1.226 5.397 1.00 0.00 C ATOM 913 C HIS A 64 -1.287 0.224 5.845 1.00 0.00 C ATOM 914 O HIS A 64 -1.708 0.228 7.002 1.00 0.00 O ATOM 915 CB HIS A 64 0.926 1.250 6.399 1.00 0.00 C ATOM 916 CG HIS A 64 2.030 2.188 6.020 1.00 0.00 C ATOM 917 ND1 HIS A 64 2.960 1.902 5.043 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.349 3.416 6.492 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.803 2.912 4.931 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.455 3.845 5.800 1.00 0.00 N ATOM 0 H HIS A 64 -1.026 3.020 6.138 1.00 0.00 H new ATOM 0 HA HIS A 64 0.153 0.915 4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.540 1.533 7.378 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.333 0.243 6.496 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.992 1.044 4.493 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.830 3.958 7.269 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.636 2.967 4.245 1.00 0.00 H new ATOM 929 N ILE A 65 -1.713 -0.633 4.923 1.00 0.00 N ATOM 930 CA ILE A 65 -2.721 -1.640 5.225 1.00 0.00 C ATOM 931 C ILE A 65 -2.139 -3.047 5.130 1.00 0.00 C ATOM 932 O ILE A 65 -1.573 -3.429 4.107 1.00 0.00 O ATOM 933 CB ILE A 65 -3.928 -1.532 4.273 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.579 -0.153 4.395 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.938 -2.628 4.573 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.302 0.287 3.142 1.00 0.00 C ATOM 0 H ILE A 65 -1.375 -0.649 3.961 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.055 -1.455 6.246 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.577 -1.658 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.284 -0.165 5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.812 0.582 4.639 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.785 -2.539 3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.468 -3.602 4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.287 -2.530 5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.739 1.273 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.597 0.332 2.312 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.092 -0.426 2.908 1.00 0.00 H new ATOM 948 N LYS A 66 -2.283 -3.813 6.206 1.00 0.00 N ATOM 949 CA LYS A 66 -1.775 -5.179 6.246 1.00 0.00 C ATOM 950 C LYS A 66 -2.704 -6.129 5.495 1.00 0.00 C ATOM 951 O LYS A 66 -3.925 -6.058 5.635 1.00 0.00 O ATOM 952 CB LYS A 66 -1.617 -5.645 7.695 1.00 0.00 C ATOM 953 CG LYS A 66 -0.298 -5.236 8.325 1.00 0.00 C ATOM 954 CD LYS A 66 -0.316 -5.424 9.832 1.00 0.00 C ATOM 955 CE LYS A 66 0.092 -6.836 10.223 1.00 0.00 C ATOM 956 NZ LYS A 66 0.295 -6.969 11.692 1.00 0.00 N ATOM 0 H LYS A 66 -2.748 -3.511 7.062 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.800 -5.190 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.435 -5.239 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.706 -6.731 7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.510 -5.826 7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.090 -4.192 8.090 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.360 -4.707 10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.315 -5.214 10.214 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.675 -7.539 9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.012 -7.105 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.572 -7.946 11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.045 -6.317 11.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.590 -6.737 12.187 1.00 0.00 H new ATOM 970 N VAL A 67 -2.117 -7.015 4.697 1.00 0.00 N ATOM 971 CA VAL A 67 -2.893 -7.980 3.926 1.00 0.00 C ATOM 972 C VAL A 67 -2.734 -9.388 4.488 1.00 0.00 C ATOM 973 O VAL A 67 -1.745 -10.068 4.214 1.00 0.00 O ATOM 974 CB VAL A 67 -2.474 -7.980 2.444 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.422 -8.838 1.621 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.424 -6.559 1.905 1.00 0.00 C ATOM 0 H VAL A 67 -1.108 -7.085 4.567 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.938 -7.678 4.001 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.475 -8.409 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.110 -8.826 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.402 -9.862 1.994 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.434 -8.442 1.702 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.126 -6.578 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.409 -6.101 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.701 -5.978 2.477 1.00 0.00 H new ATOM 986 N MET A 68 -3.714 -9.819 5.274 1.00 0.00 N ATOM 987 CA MET A 68 -3.684 -11.149 5.874 1.00 0.00 C ATOM 988 C MET A 68 -3.822 -12.230 4.806 1.00 0.00 C ATOM 989 O MET A 68 -4.437 -12.010 3.763 1.00 0.00 O ATOM 990 CB MET A 68 -4.803 -11.290 6.907 1.00 0.00 C ATOM 991 CG MET A 68 -4.434 -10.756 8.281 1.00 0.00 C ATOM 992 SD MET A 68 -5.877 -10.444 9.316 1.00 0.00 S ATOM 993 CE MET A 68 -6.732 -9.207 8.341 1.00 0.00 C ATOM 0 H MET A 68 -4.539 -9.268 5.511 1.00 0.00 H new ATOM 0 HA MET A 68 -2.722 -11.275 6.371 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.687 -10.763 6.547 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.073 -12.342 6.996 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.781 -11.471 8.781 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.867 -9.832 8.167 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.068 -8.400 8.991 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.055 -8.807 7.586 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.594 -9.661 7.852 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.243 -13.395 5.074 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.300 -14.510 4.135 1.00 0.00 C ATOM 1005 C CYS A 69 -3.714 -15.796 4.843 1.00 0.00 C ATOM 1006 O CYS A 69 -3.000 -16.294 5.714 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.943 -14.702 3.456 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.943 -15.947 2.146 1.00 0.00 S ATOM 0 H CYS A 69 -2.729 -13.592 5.933 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.048 -14.277 3.377 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.620 -13.749 3.037 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.208 -14.984 4.210 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.796 -15.364 0.993 1.00 0.00 H new ATOM 1014 N GLU A 70 -4.873 -16.327 4.464 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.381 -17.555 5.066 1.00 0.00 C ATOM 1016 C GLU A 70 -5.390 -18.694 4.051 1.00 0.00 C ATOM 1017 O GLU A 70 -6.253 -18.754 3.175 1.00 0.00 O ATOM 1018 CB GLU A 70 -6.794 -17.333 5.612 1.00 0.00 C ATOM 1019 CG GLU A 70 -6.838 -16.436 6.838 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.153 -16.535 7.586 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -9.211 -16.333 6.954 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -8.125 -16.814 8.803 1.00 0.00 O ATOM 0 H GLU A 70 -5.476 -15.927 3.745 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.719 -17.829 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.412 -16.895 4.829 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.234 -18.298 5.862 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.022 -16.704 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.674 -15.402 6.533 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.423 -19.598 4.177 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.337 -20.724 3.264 1.00 0.00 C ATOM 1031 C GLY A 71 -3.676 -20.355 1.950 1.00 0.00 C ATOM 1032 O GLY A 71 -2.858 -21.110 1.425 1.00 0.00 O ATOM 0 H GLY A 71 -3.698 -19.571 4.894 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.775 -21.529 3.737 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.339 -21.107 3.069 1.00 0.00 H new ATOM 1036 N GLY A 72 -4.034 -19.192 1.415 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.463 -18.746 0.158 1.00 0.00 C ATOM 1038 C GLY A 72 -4.094 -17.462 -0.342 1.00 0.00 C ATOM 1039 O GLY A 72 -3.467 -16.702 -1.081 1.00 0.00 O ATOM 0 H GLY A 72 -4.710 -18.550 1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.391 -18.596 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.590 -19.526 -0.593 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.337 -17.220 0.058 1.00 0.00 N ATOM 1044 CA ARG A 73 -6.054 -16.019 -0.358 1.00 0.00 C ATOM 1045 C ARG A 73 -5.628 -14.816 0.478 1.00 0.00 C ATOM 1046 O ARG A 73 -5.007 -14.966 1.531 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.563 -16.233 -0.233 1.00 0.00 C ATOM 1048 CG ARG A 73 -8.088 -17.385 -1.074 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.329 -18.007 -0.454 1.00 0.00 C ATOM 1050 NE ARG A 73 -8.994 -19.034 0.531 1.00 0.00 N ATOM 1051 CZ ARG A 73 -9.902 -19.722 1.212 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.195 -19.496 1.017 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -9.519 -20.640 2.091 1.00 0.00 N ATOM 0 H ARG A 73 -5.870 -17.839 0.670 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.807 -15.820 -1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.810 -16.416 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.076 -15.317 -0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.321 -17.028 -2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.313 -18.144 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.925 -17.229 0.022 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.946 -18.445 -1.239 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.009 -19.233 0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.494 -18.792 0.342 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.890 -20.026 1.542 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.526 -20.817 2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.218 -21.168 2.614 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.965 -13.623 0.002 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.616 -12.393 0.702 1.00 0.00 C ATOM 1069 C TYR A 74 -6.869 -11.624 1.111 1.00 0.00 C ATOM 1070 O TYR A 74 -7.853 -11.577 0.371 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.729 -11.513 -0.181 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.426 -12.170 -0.576 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.607 -12.761 0.378 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -3.014 -12.199 -1.903 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.414 -13.361 0.022 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.825 -12.798 -2.268 1.00 0.00 C ATOM 1077 CZ TYR A 74 -1.028 -13.378 -1.302 1.00 0.00 C ATOM 1078 OH TYR A 74 0.158 -13.975 -1.663 1.00 0.00 O ATOM 0 H TYR A 74 -6.480 -13.482 -0.867 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.067 -12.662 1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.280 -11.246 -1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.513 -10.584 0.347 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.908 -12.751 1.415 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.635 -11.745 -2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.788 -13.814 0.776 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.520 -12.813 -3.304 1.00 0.00 H new ATOM 0 HH TYR A 74 0.753 -14.018 -0.885 1.00 0.00 H new ATOM 1088 N THR A 75 -6.825 -11.022 2.295 1.00 0.00 N ATOM 1089 CA THR A 75 -7.955 -10.255 2.805 1.00 0.00 C ATOM 1090 C THR A 75 -7.485 -9.090 3.667 1.00 0.00 C ATOM 1091 O THR A 75 -6.381 -9.114 4.213 1.00 0.00 O ATOM 1092 CB THR A 75 -8.906 -11.140 3.632 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.094 -10.409 3.959 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.230 -11.615 4.909 1.00 0.00 C ATOM 0 H THR A 75 -6.019 -11.051 2.919 1.00 0.00 H new ATOM 0 HA THR A 75 -8.491 -9.868 1.939 1.00 0.00 H new ATOM 0 HB THR A 75 -9.169 -12.012 3.033 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.528 -10.820 4.736 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.921 -12.238 5.476 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.342 -12.195 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.942 -10.753 5.510 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.328 -8.069 3.787 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.999 -6.895 4.586 1.00 0.00 C ATOM 1104 C VAL A 76 -9.026 -6.676 5.691 1.00 0.00 C ATOM 1105 O VAL A 76 -10.000 -5.945 5.512 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.921 -5.627 3.713 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.660 -5.639 2.865 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.160 -5.506 2.840 1.00 0.00 C ATOM 0 H VAL A 76 -9.244 -8.032 3.341 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.023 -7.080 5.034 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.880 -4.757 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.623 -4.736 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.785 -5.675 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.666 -6.515 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.089 -4.605 2.230 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.235 -6.379 2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.046 -5.447 3.472 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.801 -7.314 6.835 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.715 -7.177 7.954 1.00 0.00 C ATOM 1120 C GLY A 77 -11.158 -7.424 7.558 1.00 0.00 C ATOM 1121 O GLY A 77 -12.080 -6.947 8.217 1.00 0.00 O ATOM 0 H GLY A 77 -8.002 -7.924 7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.432 -7.879 8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.623 -6.175 8.374 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.353 -8.172 6.476 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.696 -8.466 6.010 1.00 0.00 C ATOM 1127 C GLY A 78 -12.923 -9.950 5.797 1.00 0.00 C ATOM 1128 O GLY A 78 -11.970 -10.716 5.637 1.00 0.00 O ATOM 0 H GLY A 78 -10.605 -8.579 5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.419 -8.091 6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.877 -7.936 5.075 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.187 -10.359 5.798 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.537 -11.762 5.606 1.00 0.00 C ATOM 1134 C LEU A 79 -14.304 -12.188 4.159 1.00 0.00 C ATOM 1135 O LEU A 79 -14.236 -13.379 3.856 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.998 -12.002 5.992 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.292 -12.079 7.490 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -17.765 -11.811 7.758 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -15.886 -13.437 8.043 1.00 0.00 C ATOM 0 H LEU A 79 -14.986 -9.739 5.930 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.895 -12.363 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.602 -11.202 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.327 -12.932 5.529 1.00 0.00 H new ATOM 0 HG LEU A 79 -15.706 -11.312 7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.956 -11.870 8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -18.025 -10.816 7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -18.370 -12.555 7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.102 -13.475 9.111 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -16.446 -14.220 7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -14.819 -13.591 7.883 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.182 -11.206 3.271 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.955 -11.480 1.857 1.00 0.00 C ATOM 1153 C GLU A 80 -12.576 -12.094 1.635 1.00 0.00 C ATOM 1154 O GLU A 80 -11.808 -12.282 2.580 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.090 -10.195 1.038 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.522 -9.876 0.639 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.727 -8.405 0.331 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.444 -7.995 -0.815 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.171 -7.665 1.233 1.00 0.00 O ATOM 0 H GLU A 80 -14.237 -10.215 3.506 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.709 -12.195 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.688 -9.362 1.615 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.481 -10.282 0.138 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.792 -10.468 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.194 -10.172 1.444 1.00 0.00 H new ATOM 1166 N THR A 81 -12.268 -12.406 0.381 1.00 0.00 N ATOM 1167 CA THR A 81 -10.983 -13.001 0.034 1.00 0.00 C ATOM 1168 C THR A 81 -10.674 -12.817 -1.447 1.00 0.00 C ATOM 1169 O THR A 81 -11.576 -12.607 -2.259 1.00 0.00 O ATOM 1170 CB THR A 81 -10.950 -14.503 0.371 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.928 -15.202 -0.407 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.215 -14.732 1.852 1.00 0.00 C ATOM 0 H THR A 81 -12.891 -12.257 -0.413 1.00 0.00 H new ATOM 0 HA THR A 81 -10.226 -12.487 0.627 1.00 0.00 H new ATOM 0 HB THR A 81 -9.957 -14.884 0.133 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.899 -16.157 -0.188 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.187 -15.800 2.066 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.452 -14.224 2.441 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.197 -14.336 2.111 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.393 -12.897 -1.794 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.966 -12.741 -3.179 1.00 0.00 C ATOM 1182 C PHE A 82 -7.879 -13.752 -3.532 1.00 0.00 C ATOM 1183 O PHE A 82 -7.047 -14.103 -2.694 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.451 -11.319 -3.418 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.440 -10.253 -3.043 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.483 -9.754 -1.750 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.326 -9.748 -3.981 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.393 -8.774 -1.402 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.237 -8.769 -3.638 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.270 -8.279 -2.347 1.00 0.00 C ATOM 0 H PHE A 82 -8.634 -13.069 -1.135 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.828 -12.923 -3.821 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.535 -11.172 -2.845 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.190 -11.208 -4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.798 -10.135 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.304 -10.125 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.418 -8.395 -0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.924 -8.386 -4.379 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.980 -7.511 -2.077 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.893 -14.218 -4.775 1.00 0.00 N ATOM 1201 CA ASP A 83 -6.909 -15.189 -5.239 1.00 0.00 C ATOM 1202 C ASP A 83 -5.495 -14.744 -4.881 1.00 0.00 C ATOM 1203 O ASP A 83 -4.726 -15.501 -4.290 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.028 -15.384 -6.752 1.00 0.00 C ATOM 1205 CG ASP A 83 -5.717 -15.804 -7.386 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -5.284 -16.951 -7.150 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -5.123 -14.984 -8.119 1.00 0.00 O ATOM 0 H ASP A 83 -8.575 -13.939 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.109 -16.138 -4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.787 -16.138 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.368 -14.455 -7.210 1.00 0.00 H new ATOM 1212 N SER A 84 -5.159 -13.511 -5.246 1.00 0.00 N ATOM 1213 CA SER A 84 -3.835 -12.965 -4.967 1.00 0.00 C ATOM 1214 C SER A 84 -3.862 -11.440 -4.977 1.00 0.00 C ATOM 1215 O SER A 84 -4.905 -10.827 -5.215 1.00 0.00 O ATOM 1216 CB SER A 84 -2.824 -13.476 -5.996 1.00 0.00 C ATOM 1217 OG SER A 84 -2.292 -14.731 -5.610 1.00 0.00 O ATOM 0 H SER A 84 -5.785 -12.871 -5.735 1.00 0.00 H new ATOM 0 HA SER A 84 -3.533 -13.298 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.306 -13.566 -6.970 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.016 -12.753 -6.106 1.00 0.00 H new ATOM 0 HG SER A 84 -2.962 -15.225 -5.092 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.710 -10.833 -4.718 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.600 -9.378 -4.696 1.00 0.00 C ATOM 1225 C LEU A 85 -3.259 -8.764 -5.927 1.00 0.00 C ATOM 1226 O LEU A 85 -3.822 -7.670 -5.863 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.130 -8.959 -4.628 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.537 -8.815 -3.225 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.185 -7.652 -2.490 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.707 -10.106 -2.439 1.00 0.00 C ATOM 0 H LEU A 85 -1.839 -11.325 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.117 -9.012 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.538 -9.691 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.020 -8.007 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 85 0.529 -8.610 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.751 -7.564 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.011 -6.729 -3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.257 -7.828 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.279 -9.985 -1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.768 -10.342 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.196 -10.917 -2.957 1.00 0.00 H new ATOM 1242 N THR A 86 -3.187 -9.475 -7.047 1.00 0.00 N ATOM 1243 CA THR A 86 -3.776 -9.002 -8.293 1.00 0.00 C ATOM 1244 C THR A 86 -5.294 -8.914 -8.184 1.00 0.00 C ATOM 1245 O THR A 86 -5.884 -7.862 -8.432 1.00 0.00 O ATOM 1246 CB THR A 86 -3.410 -9.920 -9.473 1.00 0.00 C ATOM 1247 OG1 THR A 86 -1.988 -10.062 -9.561 1.00 0.00 O ATOM 1248 CG2 THR A 86 -3.952 -9.363 -10.782 1.00 0.00 C ATOM 0 H THR A 86 -2.726 -10.382 -7.117 1.00 0.00 H new ATOM 0 HA THR A 86 -3.369 -8.008 -8.477 1.00 0.00 H new ATOM 0 HB THR A 86 -3.862 -10.896 -9.298 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.764 -10.649 -10.313 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.681 -10.029 -11.601 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.038 -9.285 -10.722 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.527 -8.376 -10.961 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.921 -10.024 -7.811 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.371 -10.072 -7.666 1.00 0.00 C ATOM 1258 C ASP A 87 -7.842 -9.104 -6.586 1.00 0.00 C ATOM 1259 O ASP A 87 -8.895 -8.478 -6.714 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.825 -11.493 -7.330 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.321 -11.677 -7.495 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -10.063 -10.688 -7.323 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -9.750 -12.811 -7.794 1.00 0.00 O ATOM 0 H ASP A 87 -5.447 -10.903 -7.603 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.816 -9.772 -8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.302 -12.200 -7.974 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.544 -11.728 -6.303 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.057 -8.988 -5.520 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.395 -8.097 -4.415 1.00 0.00 C ATOM 1270 C LEU A 88 -7.249 -6.637 -4.829 1.00 0.00 C ATOM 1271 O LEU A 88 -8.231 -5.897 -4.894 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.500 -8.389 -3.208 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.871 -7.671 -1.910 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.476 -8.510 -0.705 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.208 -6.303 -1.849 1.00 0.00 C ATOM 0 H LEU A 88 -6.183 -9.499 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.435 -8.275 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.513 -9.463 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.475 -8.123 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.952 -7.530 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.748 -7.983 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.997 -9.467 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.400 -8.682 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.483 -5.806 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.125 -6.421 -1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.540 -5.700 -2.694 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.015 -6.226 -5.111 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.741 -4.855 -5.522 1.00 0.00 C ATOM 1289 C VAL A 89 -6.691 -4.413 -6.631 1.00 0.00 C ATOM 1290 O VAL A 89 -7.412 -3.426 -6.486 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.290 -4.696 -6.012 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.028 -3.263 -6.451 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.313 -5.116 -4.925 1.00 0.00 C ATOM 0 H VAL A 89 -5.190 -6.824 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.892 -4.225 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.142 -5.347 -6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.998 -3.170 -6.794 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.706 -3.002 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.193 -2.589 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.292 -4.997 -5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.460 -4.492 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.486 -6.160 -4.664 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.686 -5.152 -7.736 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.548 -4.835 -8.869 1.00 0.00 C ATOM 1305 C GLU A 90 -8.963 -4.508 -8.401 1.00 0.00 C ATOM 1306 O GLU A 90 -9.499 -3.442 -8.707 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.582 -6.004 -9.854 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.345 -6.098 -10.732 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.553 -6.991 -11.940 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.723 -7.241 -12.298 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.546 -7.440 -12.526 1.00 0.00 O ATOM 0 H GLU A 90 -6.096 -5.973 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.138 -3.958 -9.371 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.693 -6.934 -9.297 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.462 -5.906 -10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.065 -5.099 -11.067 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.513 -6.481 -10.141 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.563 -5.432 -7.658 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.916 -5.243 -7.148 1.00 0.00 C ATOM 1320 C HIS A 91 -11.003 -3.983 -6.292 1.00 0.00 C ATOM 1321 O HIS A 91 -12.083 -3.427 -6.094 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.351 -6.460 -6.331 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.550 -6.206 -5.470 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.675 -5.531 -4.304 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.810 -6.674 -5.778 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -13.995 -5.601 -3.932 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.659 -6.295 -4.839 1.00 0.00 N flip ATOM 0 H HIS A 91 -9.134 -6.319 -7.396 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.586 -5.129 -8.000 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.570 -7.284 -7.010 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.522 -6.779 -5.700 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.063 -7.259 -6.650 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.421 -5.160 -3.043 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.657 -6.503 -4.818 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.858 -3.538 -5.784 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.805 -2.345 -4.948 1.00 0.00 C ATOM 1338 C PHE A 92 -9.494 -1.107 -5.784 1.00 0.00 C ATOM 1339 O PHE A 92 -9.831 0.014 -5.404 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.750 -2.512 -3.852 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.297 -3.083 -2.575 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.395 -2.506 -1.957 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.715 -4.198 -1.994 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.900 -3.030 -0.782 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.215 -4.726 -0.818 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.310 -4.141 -0.212 1.00 0.00 C ATOM 0 H PHE A 92 -8.955 -3.986 -5.937 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.783 -2.212 -4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.955 -3.161 -4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.298 -1.542 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.861 -1.637 -2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.860 -4.660 -2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.756 -2.571 -0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.750 -5.594 -0.374 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.704 -4.552 0.706 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.848 -1.319 -6.926 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.491 -0.223 -7.818 1.00 0.00 C ATOM 1358 C LYS A 93 -9.739 0.422 -8.414 1.00 0.00 C ATOM 1359 O LYS A 93 -9.689 1.543 -8.921 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.579 -0.727 -8.940 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.291 -1.356 -8.439 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.159 -1.175 -9.436 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.181 -2.255 -10.508 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.092 -2.067 -11.506 1.00 0.00 N ATOM 0 H LYS A 93 -8.561 -2.241 -7.255 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.958 0.528 -7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.122 -1.459 -9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.335 0.105 -9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.013 -0.907 -7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.451 -2.419 -8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.239 -0.194 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.204 -1.201 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.079 -3.234 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.145 -2.243 -11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.141 -2.822 -12.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.203 -1.144 -11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.170 -2.104 -11.025 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.857 -0.293 -8.349 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.118 0.210 -8.880 1.00 0.00 C ATOM 1380 C LYS A 94 -13.059 0.617 -7.750 1.00 0.00 C ATOM 1381 O LYS A 94 -13.790 1.602 -7.861 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.786 -0.852 -9.756 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.948 -2.196 -9.067 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.418 -3.268 -10.036 1.00 0.00 C ATOM 1385 CE LYS A 94 -12.247 -3.936 -10.740 1.00 0.00 C ATOM 1386 NZ LYS A 94 -12.667 -5.166 -11.467 1.00 0.00 N ATOM 0 H LYS A 94 -10.915 -1.223 -7.934 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.904 1.090 -9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.767 -0.491 -10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.196 -0.987 -10.662 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.998 -2.496 -8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.664 -2.103 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.996 -4.019 -9.497 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.084 -2.824 -10.776 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.797 -3.234 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.480 -4.190 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.841 -5.592 -11.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.073 -5.846 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.380 -4.920 -12.183 1.00 0.00 H new ATOM 1400 N THR A 95 -13.036 -0.146 -6.662 1.00 0.00 N ATOM 1401 CA THR A 95 -13.886 0.136 -5.512 1.00 0.00 C ATOM 1402 C THR A 95 -13.185 1.060 -4.523 1.00 0.00 C ATOM 1403 O THR A 95 -13.665 2.155 -4.235 1.00 0.00 O ATOM 1404 CB THR A 95 -14.296 -1.159 -4.785 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.136 -1.815 -4.262 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.034 -2.098 -5.728 1.00 0.00 C ATOM 0 H THR A 95 -12.437 -0.965 -6.553 1.00 0.00 H new ATOM 0 HA THR A 95 -14.780 0.628 -5.894 1.00 0.00 H new ATOM 0 HB THR A 95 -14.964 -0.894 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.899 -2.571 -4.839 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.314 -3.005 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.932 -1.606 -6.102 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.386 -2.356 -6.566 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.045 0.611 -4.007 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.296 1.410 -3.055 1.00 0.00 C ATOM 1416 C GLY A 96 -11.438 0.906 -1.634 1.00 0.00 C ATOM 1417 O GLY A 96 -12.419 0.240 -1.300 1.00 0.00 O ATOM 0 H GLY A 96 -11.627 -0.292 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.242 1.408 -3.334 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.637 2.444 -3.106 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.457 1.220 -0.795 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.478 0.793 0.599 1.00 0.00 C ATOM 1423 C ILE A 97 -10.973 1.912 1.510 1.00 0.00 C ATOM 1424 O ILE A 97 -10.682 3.085 1.280 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.084 0.341 1.070 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.579 -0.815 0.205 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -9.125 -0.065 2.536 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.070 -0.894 0.123 1.00 0.00 C ATOM 0 H ILE A 97 -9.638 1.769 -1.056 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.164 -0.052 0.660 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.393 1.177 0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.963 -1.753 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.984 -0.709 -0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.132 -0.382 2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.445 0.784 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.827 -0.888 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.783 -1.737 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.680 0.029 -0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.658 -1.031 1.123 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.719 1.539 2.544 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.254 2.511 3.491 1.00 0.00 C ATOM 1442 C GLU A 98 -11.623 2.332 4.868 1.00 0.00 C ATOM 1443 O GLU A 98 -11.865 1.335 5.548 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.774 2.376 3.592 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.379 3.158 4.746 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.887 3.282 4.639 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.562 2.236 4.538 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.390 4.424 4.656 1.00 0.00 O ATOM 0 H GLU A 98 -11.967 0.571 2.748 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.010 3.508 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.223 2.716 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.030 1.322 3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.124 2.668 5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.937 4.154 4.776 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.813 3.305 5.274 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.147 3.254 6.570 1.00 0.00 C ATOM 1457 C GLU A 99 -11.106 3.646 7.691 1.00 0.00 C ATOM 1458 O GLU A 99 -11.877 4.596 7.558 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.929 4.181 6.580 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.909 3.855 5.501 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.911 4.977 5.285 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.715 5.784 6.218 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.327 5.048 4.184 1.00 0.00 O ATOM 0 H GLU A 99 -10.602 4.138 4.724 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.817 2.229 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.265 5.210 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.446 4.122 7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.374 2.945 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.428 3.650 4.565 1.00 0.00 H new ATOM 1470 N ALA A 100 -11.053 2.906 8.793 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.915 3.175 9.937 1.00 0.00 C ATOM 1472 C ALA A 100 -12.079 4.675 10.158 1.00 0.00 C ATOM 1473 O ALA A 100 -13.198 5.189 10.190 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.355 2.514 11.187 1.00 0.00 C ATOM 0 H ALA A 100 -10.422 2.115 8.918 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.898 2.754 9.727 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.009 2.723 12.033 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.295 1.437 11.033 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.359 2.908 11.392 1.00 0.00 H new ATOM 1480 N SER A 101 -10.958 5.372 10.312 1.00 0.00 N ATOM 1481 CA SER A 101 -10.979 6.813 10.535 1.00 0.00 C ATOM 1482 C SER A 101 -12.026 7.485 9.651 1.00 0.00 C ATOM 1483 O SER A 101 -12.724 8.402 10.085 1.00 0.00 O ATOM 1484 CB SER A 101 -9.599 7.413 10.258 1.00 0.00 C ATOM 1485 OG SER A 101 -9.280 7.343 8.878 1.00 0.00 O ATOM 0 H SER A 101 -10.024 4.963 10.286 1.00 0.00 H new ATOM 0 HA SER A 101 -11.242 6.991 11.578 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.578 8.452 10.587 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.844 6.880 10.836 1.00 0.00 H new ATOM 0 HG SER A 101 -8.394 7.734 8.727 1.00 0.00 H new ATOM 1491 N GLY A 102 -12.128 7.022 8.410 1.00 0.00 N ATOM 1492 CA GLY A 102 -13.091 7.589 7.484 1.00 0.00 C ATOM 1493 C GLY A 102 -12.452 8.035 6.184 1.00 0.00 C ATOM 1494 O GLY A 102 -13.005 8.869 5.468 1.00 0.00 O ATOM 0 H GLY A 102 -11.561 6.264 8.029 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.864 6.850 7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.584 8.440 7.954 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.285 7.479 5.879 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.571 7.825 4.657 1.00 0.00 C ATOM 1500 C ALA A 103 -10.799 6.777 3.573 1.00 0.00 C ATOM 1501 O ALA A 103 -11.123 5.626 3.866 1.00 0.00 O ATOM 1502 CB ALA A 103 -9.083 7.979 4.939 1.00 0.00 C ATOM 0 H ALA A 103 -10.814 6.787 6.461 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.961 8.776 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.563 8.237 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.932 8.769 5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.687 7.041 5.328 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.628 7.182 2.318 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.817 6.278 1.190 1.00 0.00 C ATOM 1510 C PHE A 104 -9.599 6.292 0.271 1.00 0.00 C ATOM 1511 O PHE A 104 -9.400 7.231 -0.500 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.068 6.667 0.402 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.311 5.959 0.860 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -14.083 6.479 1.885 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.706 4.771 0.266 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -15.227 5.830 2.309 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.848 4.116 0.686 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.609 4.646 1.709 1.00 0.00 C ATOM 0 H PHE A 104 -10.359 8.131 2.057 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.942 5.269 1.583 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.221 7.743 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.904 6.450 -0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.787 7.403 2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.114 4.352 -0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.821 6.248 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.145 3.191 0.215 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.502 4.136 2.039 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.785 5.245 0.361 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.587 5.136 -0.461 1.00 0.00 C ATOM 1530 C VAL A 105 -7.936 4.740 -1.892 1.00 0.00 C ATOM 1531 O VAL A 105 -8.764 3.859 -2.119 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.600 4.104 0.118 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.381 3.967 -0.781 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.190 4.495 1.529 1.00 0.00 C ATOM 0 H VAL A 105 -8.934 4.460 0.995 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.115 6.118 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.098 3.136 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.696 3.234 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.695 3.638 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.878 4.931 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.493 3.756 1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.710 5.473 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.073 4.537 2.166 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.297 5.397 -2.854 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.541 5.117 -4.263 1.00 0.00 C ATOM 1546 C TYR A 106 -6.276 4.604 -4.945 1.00 0.00 C ATOM 1547 O TYR A 106 -5.223 5.241 -4.886 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.043 6.374 -4.977 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.328 6.925 -4.399 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.319 6.075 -3.923 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.551 8.294 -4.331 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.494 6.574 -3.395 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.723 8.802 -3.804 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.692 7.937 -3.337 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.860 8.439 -2.813 1.00 0.00 O ATOM 0 H TYR A 106 -6.606 6.127 -2.683 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.305 4.342 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.272 7.143 -4.926 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.197 6.146 -6.032 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.168 5.006 -3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.795 8.973 -4.696 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.254 5.899 -3.029 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.880 9.870 -3.758 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.839 9.418 -2.845 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.386 3.448 -5.590 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.252 2.848 -6.284 1.00 0.00 C ATOM 1567 C LEU A 107 -5.351 3.076 -7.788 1.00 0.00 C ATOM 1568 O LEU A 107 -5.692 2.164 -8.543 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.183 1.349 -5.986 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.337 0.948 -4.519 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.800 0.712 -4.181 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.510 -0.294 -4.215 1.00 0.00 C ATOM 0 H LEU A 107 -7.249 2.907 -5.647 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.342 3.326 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.961 0.848 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.226 0.971 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.969 1.765 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.890 0.427 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.367 1.626 -4.359 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.194 -0.087 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.632 -0.565 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.847 -1.118 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.459 -0.089 -4.417 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.050 4.297 -8.218 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.104 4.643 -9.633 1.00 0.00 C ATOM 1586 C ARG A 108 -3.951 3.998 -10.396 1.00 0.00 C ATOM 1587 O ARG A 108 -4.167 3.251 -11.350 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.060 6.162 -9.810 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.203 6.889 -9.121 1.00 0.00 C ATOM 1590 CD ARG A 108 -7.398 7.053 -10.046 1.00 0.00 C ATOM 1591 NE ARG A 108 -8.089 5.787 -10.277 1.00 0.00 N ATOM 1592 CZ ARG A 108 -9.116 5.653 -11.110 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -9.567 6.699 -11.788 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -9.692 4.468 -11.267 1.00 0.00 N ATOM 0 H ARG A 108 -4.766 5.063 -7.607 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.042 4.263 -10.038 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.114 6.537 -9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.081 6.396 -10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.504 6.336 -8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.863 7.869 -8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -8.094 7.773 -9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.065 7.463 -10.999 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.766 4.962 -9.772 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.126 7.611 -11.671 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.355 6.592 -12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.347 3.660 -10.749 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.480 4.365 -11.906 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.727 4.292 -9.968 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.541 3.741 -10.612 1.00 0.00 C ATOM 1610 C GLN A 109 -0.552 3.219 -9.575 1.00 0.00 C ATOM 1611 O GLN A 109 -0.372 3.801 -8.505 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.869 4.803 -11.486 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.308 5.974 -10.695 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.318 7.089 -10.506 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.387 7.083 -11.118 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -0.985 8.053 -9.657 1.00 0.00 N ATOM 0 H GLN A 109 -2.531 4.908 -9.179 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.854 2.908 -11.241 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.062 4.338 -12.053 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.593 5.177 -12.210 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.025 5.622 -9.719 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.569 6.367 -11.208 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.089 8.018 -9.171 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.625 8.829 -9.490 1.00 0.00 H new ATOM 1625 N PRO A 110 0.105 2.094 -9.897 1.00 0.00 N ATOM 1626 CA PRO A 110 1.087 1.469 -9.007 1.00 0.00 C ATOM 1627 C PRO A 110 2.363 2.295 -8.879 1.00 0.00 C ATOM 1628 O PRO A 110 2.387 3.476 -9.228 1.00 0.00 O ATOM 1629 CB PRO A 110 1.383 0.131 -9.689 1.00 0.00 C ATOM 1630 CG PRO A 110 1.076 0.364 -11.128 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.060 1.348 -11.156 1.00 0.00 C ATOM 0 HA PRO A 110 0.709 1.370 -7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.423 -0.163 -9.549 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.767 -0.668 -9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.946 0.758 -11.654 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.798 -0.566 -11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.001 2.005 -12.023 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.026 0.845 -11.202 1.00 0.00 H new ATOM 1639 N TYR A 111 3.421 1.667 -8.379 1.00 0.00 N ATOM 1640 CA TYR A 111 4.700 2.345 -8.204 1.00 0.00 C ATOM 1641 C TYR A 111 5.861 1.408 -8.520 1.00 0.00 C ATOM 1642 O TYR A 111 6.069 0.406 -7.835 1.00 0.00 O ATOM 1643 CB TYR A 111 4.830 2.871 -6.773 1.00 0.00 C ATOM 1644 CG TYR A 111 6.172 3.505 -6.482 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.391 4.856 -6.725 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.219 2.755 -5.961 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.615 5.439 -6.461 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.446 3.330 -5.693 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.639 4.672 -5.944 1.00 0.00 C ATOM 1650 OH TYR A 111 9.859 5.250 -5.680 1.00 0.00 O ATOM 0 H TYR A 111 3.418 0.689 -8.088 1.00 0.00 H new ATOM 0 HA TYR A 111 4.735 3.185 -8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.044 3.604 -6.591 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.667 2.049 -6.076 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.591 5.460 -7.127 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.071 1.704 -5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.770 6.490 -6.658 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.250 2.732 -5.289 1.00 0.00 H new ATOM 0 HH TYR A 111 9.739 6.000 -5.061 1.00 0.00 H new ATOM 1660 N TYR A 112 6.615 1.740 -9.562 1.00 0.00 N ATOM 1661 CA TYR A 112 7.754 0.929 -9.973 1.00 0.00 C ATOM 1662 C TYR A 112 9.045 1.444 -9.342 1.00 0.00 C ATOM 1663 O TYR A 112 9.786 0.688 -8.712 1.00 0.00 O ATOM 1664 CB TYR A 112 7.883 0.926 -11.496 1.00 0.00 C ATOM 1665 CG TYR A 112 6.561 0.785 -12.216 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.727 -0.298 -11.971 1.00 0.00 C ATOM 1667 CD2 TYR A 112 6.147 1.736 -13.141 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.518 -0.432 -12.627 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.939 1.610 -13.800 1.00 0.00 C ATOM 1670 CZ TYR A 112 4.129 0.526 -13.539 1.00 0.00 C ATOM 1671 OH TYR A 112 2.926 0.398 -14.195 1.00 0.00 O ATOM 0 H TYR A 112 6.457 2.567 -10.138 1.00 0.00 H new ATOM 0 HA TYR A 112 7.584 -0.091 -9.629 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.363 1.852 -11.813 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.539 0.108 -11.795 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.028 -1.049 -11.255 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.779 2.587 -13.348 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.882 -1.282 -12.427 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.631 2.357 -14.516 1.00 0.00 H new ATOM 0 HH TYR A 112 2.802 1.157 -14.802 1.00 0.00 H new ATOM 1869 N SER B 9 -3.218 1.919 8.961 1.00 0.00 N ATOM 1870 CA SER B 9 -4.600 2.381 9.012 1.00 0.00 C ATOM 1871 C SER B 9 -5.568 1.216 8.831 1.00 0.00 C ATOM 1872 O SER B 9 -5.606 0.583 7.775 1.00 0.00 O ATOM 1873 CB SER B 9 -4.847 3.436 7.931 1.00 0.00 C ATOM 1874 OG SER B 9 -4.463 4.724 8.380 1.00 0.00 O ATOM 0 HA SER B 9 -4.773 2.827 9.992 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.287 3.179 7.032 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.902 3.442 7.658 1.00 0.00 H new ATOM 0 HG SER B 9 -4.629 5.380 7.671 1.00 0.00 H new ATOM 1880 N ASP B 10 -6.351 0.939 9.868 1.00 0.00 N ATOM 1881 CA ASP B 10 -7.322 -0.148 9.826 1.00 0.00 C ATOM 1882 C ASP B 10 -8.479 0.194 8.893 1.00 0.00 C ATOM 1883 O ASP B 10 -8.471 1.231 8.229 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.852 -0.442 11.230 1.00 0.00 C ATOM 1885 CG ASP B 10 -7.053 -1.520 11.936 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -5.917 -1.231 12.367 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -7.565 -2.653 12.059 1.00 0.00 O ATOM 0 H ASP B 10 -6.332 1.453 10.749 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.820 -1.036 9.443 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.827 0.472 11.823 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.895 -0.751 11.164 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.473 -0.687 8.845 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.638 -0.480 7.992 1.00 0.00 C ATOM 1894 C LEU B 11 -11.905 -0.328 8.829 1.00 0.00 C ATOM 1895 O LEU B 11 -11.849 -0.291 10.057 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.795 -1.648 7.017 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.762 -1.726 5.892 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -8.404 -1.249 6.381 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.668 -3.146 5.351 1.00 0.00 C ATOM 0 H LEU B 11 -9.495 -1.551 9.387 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.485 0.439 7.427 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.755 -2.577 7.585 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.787 -1.591 6.569 1.00 0.00 H new ATOM 0 HG LEU B 11 -10.084 -1.071 5.083 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.682 -1.312 5.567 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.481 -0.216 6.719 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -8.074 -1.877 7.208 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.928 -3.182 4.551 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -9.370 -3.822 6.153 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -10.639 -3.452 4.961 1.00 0.00 H new ATOM 1911 N ASN B 12 -13.047 -0.243 8.153 1.00 0.00 N ATOM 1912 CA ASN B 12 -14.328 -0.097 8.834 1.00 0.00 C ATOM 1913 C ASN B 12 -14.793 -1.430 9.412 1.00 0.00 C ATOM 1914 O ASN B 12 -15.085 -1.534 10.604 1.00 0.00 O ATOM 1915 CB ASN B 12 -15.382 0.450 7.870 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.982 -0.634 6.995 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -17.029 -1.198 7.315 1.00 0.00 O ATOM 1918 ND2 ASN B 12 -15.319 -0.931 5.883 1.00 0.00 N ATOM 0 H ASN B 12 -13.111 -0.273 7.135 1.00 0.00 H new ATOM 0 HA ASN B 12 -14.196 0.607 9.655 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -16.175 0.934 8.440 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.931 1.215 7.238 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -15.674 -1.652 5.255 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -14.455 -0.438 5.657 1.00 0.00 H new