USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 745 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 17 SER OG : rot -125:sc= -0.878 USER MOD Set 1.2: A 69 THR OG1 : rot 71:sc= 0.139 USER MOD Set 1.3: A 82 GLN : amide:sc= -1.59 K(o=-4.2,f=-14!) USER MOD Set 1.4: A 84 ASN : amide:sc= -1.87 K(o=-4.2,f=-9.4!) USER MOD Set 2.1: A 83 MET CE :methyl 143:sc= -7.28! (180deg=-11.7!) USER MOD Set 2.2: A 94 TYR OH : rot 30:sc= -0.276 USER MOD Set 3.1: A 13 GLN : amide:sc= -0.0436 K(o=-0.95,f=-1.9) USER MOD Set 3.2: A 116 SER OG : rot 140:sc= -0.908 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.99) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -68:sc= 0.187 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.608 USER MOD Single : A 34 MET CE :methyl 156:sc= -2.39 (180deg=-3.41) USER MOD Single : A 39 GLN : amide:sc= -4.7 K(o=-4.7,f=-13!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.642! USER MOD Single : A 52 ASN : amide:sc= -1.03 K(o=-1,f=-2.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -37:sc= -0.457 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -44:sc= 0.00049 USER MOD Single : A 71 SER OG : rot 180:sc= -1.1 USER MOD Single : A 74 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.034) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -144:sc= -0.324 (180deg=-1.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 30:sc= -1.38 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0239 USER MOD Single : A 95 THR OG1 : rot -140:sc= 0.0648 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 100:sc= -0.914 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.0245 F(o=-1.7,f=-0.024) USER MOD Single : A 114 THR OG1 : rot -144:sc= -0.289 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 10.570 10.583 -0.774 1.00 0.00 N ATOM 37 CA GLN A 3 9.185 10.917 -1.086 1.00 0.00 C ATOM 38 C GLN A 3 8.385 9.661 -1.417 1.00 0.00 C ATOM 39 O GLN A 3 8.950 8.579 -1.576 1.00 0.00 O ATOM 40 CB GLN A 3 9.125 11.895 -2.260 1.00 0.00 C ATOM 41 CG GLN A 3 10.085 13.067 -2.127 1.00 0.00 C ATOM 42 CD GLN A 3 10.543 13.600 -3.471 1.00 0.00 C ATOM 43 OE1 GLN A 3 11.737 13.622 -3.768 1.00 0.00 O ATOM 44 NE2 GLN A 3 9.592 14.033 -4.290 1.00 0.00 N ATOM 0 HA GLN A 3 8.745 11.388 -0.207 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.347 11.357 -3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.108 12.278 -2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.600 13.868 -1.569 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.955 12.756 -1.548 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.614 13.996 -4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.839 14.403 -5.208 1.00 0.00 H new ATOM 53 N LEU A 4 7.069 9.812 -1.519 1.00 0.00 N ATOM 54 CA LEU A 4 6.194 8.688 -1.831 1.00 0.00 C ATOM 55 C LEU A 4 4.884 9.166 -2.450 1.00 0.00 C ATOM 56 O LEU A 4 4.126 9.909 -1.827 1.00 0.00 O ATOM 57 CB LEU A 4 5.906 7.873 -0.568 1.00 0.00 C ATOM 58 CG LEU A 4 7.015 6.900 -0.159 1.00 0.00 C ATOM 59 CD1 LEU A 4 7.836 7.477 0.984 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.425 5.553 0.234 1.00 0.00 C ATOM 0 H LEU A 4 6.585 10.701 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 4 6.706 8.056 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.725 8.562 0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.986 7.309 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 4 7.674 6.750 -1.014 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.619 6.772 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.289 8.417 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.189 7.656 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.228 4.874 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.743 5.686 1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.881 5.133 -0.612 1.00 0.00 H new ATOM 72 N GLN A 5 4.624 8.730 -3.678 1.00 0.00 N ATOM 73 CA GLN A 5 3.404 9.106 -4.384 1.00 0.00 C ATOM 74 C GLN A 5 2.619 7.865 -4.796 1.00 0.00 C ATOM 75 O GLN A 5 3.144 6.754 -4.767 1.00 0.00 O ATOM 76 CB GLN A 5 3.739 9.945 -5.620 1.00 0.00 C ATOM 77 CG GLN A 5 4.820 10.986 -5.377 1.00 0.00 C ATOM 78 CD GLN A 5 4.538 12.295 -6.089 1.00 0.00 C ATOM 79 OE1 GLN A 5 3.389 12.725 -6.192 1.00 0.00 O ATOM 80 NE2 GLN A 5 5.590 12.937 -6.584 1.00 0.00 N ATOM 0 H GLN A 5 5.243 8.115 -4.206 1.00 0.00 H new ATOM 0 HA GLN A 5 2.789 9.701 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.060 9.281 -6.423 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.834 10.447 -5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.908 11.170 -4.306 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.780 10.593 -5.713 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.525 12.544 -6.475 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.463 13.823 -7.073 1.00 0.00 H new ATOM 89 N GLU A 6 1.361 8.060 -5.180 1.00 0.00 N ATOM 90 CA GLU A 6 0.511 6.947 -5.598 1.00 0.00 C ATOM 91 C GLU A 6 0.130 7.080 -7.069 1.00 0.00 C ATOM 92 O GLU A 6 0.259 8.153 -7.659 1.00 0.00 O ATOM 93 CB GLU A 6 -0.760 6.872 -4.737 1.00 0.00 C ATOM 94 CG GLU A 6 -0.769 7.824 -3.549 1.00 0.00 C ATOM 95 CD GLU A 6 0.189 7.400 -2.454 1.00 0.00 C ATOM 96 OE1 GLU A 6 -0.126 6.430 -1.733 1.00 0.00 O ATOM 97 OE2 GLU A 6 1.253 8.039 -2.317 1.00 0.00 O ATOM 0 H GLU A 6 0.908 8.973 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 6 1.080 6.027 -5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.624 7.086 -5.366 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.877 5.852 -4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.506 8.826 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.778 7.881 -3.141 1.00 0.00 H new ATOM 104 N SER A 7 -0.341 5.984 -7.655 1.00 0.00 N ATOM 105 CA SER A 7 -0.742 5.981 -9.057 1.00 0.00 C ATOM 106 C SER A 7 -1.544 4.728 -9.392 1.00 0.00 C ATOM 107 O SER A 7 -1.137 3.613 -9.065 1.00 0.00 O ATOM 108 CB SER A 7 0.488 6.071 -9.961 1.00 0.00 C ATOM 109 OG SER A 7 0.233 6.889 -11.090 1.00 0.00 O ATOM 0 H SER A 7 -0.454 5.088 -7.181 1.00 0.00 H new ATOM 0 HA SER A 7 -1.375 6.851 -9.229 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.329 6.476 -9.397 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.776 5.072 -10.289 1.00 0.00 H new ATOM 0 HG SER A 7 1.035 6.932 -11.651 1.00 0.00 H new ATOM 115 N GLY A 8 -2.684 4.919 -10.048 1.00 0.00 N ATOM 116 CA GLY A 8 -3.524 3.794 -10.419 1.00 0.00 C ATOM 117 C GLY A 8 -4.806 3.731 -9.612 1.00 0.00 C ATOM 118 O GLY A 8 -5.820 3.220 -10.086 1.00 0.00 O ATOM 0 H GLY A 8 -3.041 5.832 -10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.769 3.863 -11.479 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.966 2.868 -10.280 1.00 0.00 H new ATOM 122 N GLY A 9 -4.760 4.247 -8.387 1.00 0.00 N ATOM 123 CA GLY A 9 -5.923 4.236 -7.532 1.00 0.00 C ATOM 124 C GLY A 9 -7.142 4.843 -8.190 1.00 0.00 C ATOM 125 O GLY A 9 -7.037 5.535 -9.203 1.00 0.00 O ATOM 0 H GLY A 9 -3.931 4.674 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.146 3.209 -7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.700 4.784 -6.616 1.00 0.00 H new ATOM 129 N GLY A 10 -8.299 4.578 -7.607 1.00 0.00 N ATOM 130 CA GLY A 10 -9.542 5.098 -8.139 1.00 0.00 C ATOM 131 C GLY A 10 -10.746 4.316 -7.661 1.00 0.00 C ATOM 132 O GLY A 10 -10.607 3.269 -7.028 1.00 0.00 O ATOM 0 H GLY A 10 -8.401 4.007 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.651 6.142 -7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.506 5.075 -9.228 1.00 0.00 H new ATOM 136 N LEU A 11 -11.929 4.833 -7.956 1.00 0.00 N ATOM 137 CA LEU A 11 -13.167 4.198 -7.549 1.00 0.00 C ATOM 138 C LEU A 11 -13.397 2.894 -8.303 1.00 0.00 C ATOM 139 O LEU A 11 -13.178 2.815 -9.512 1.00 0.00 O ATOM 140 CB LEU A 11 -14.335 5.148 -7.781 1.00 0.00 C ATOM 141 CG LEU A 11 -14.135 6.521 -7.154 1.00 0.00 C ATOM 142 CD1 LEU A 11 -13.859 7.567 -8.224 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.339 6.916 -6.312 1.00 0.00 C ATOM 0 H LEU A 11 -12.055 5.699 -8.481 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.094 3.962 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.489 5.266 -8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.243 4.701 -7.376 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.267 6.468 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.719 8.540 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.957 7.297 -8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.703 7.614 -8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.171 7.900 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.229 6.945 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.481 6.186 -5.516 1.00 0.00 H new ATOM 155 N VAL A 12 -13.838 1.874 -7.577 1.00 0.00 N ATOM 156 CA VAL A 12 -14.099 0.568 -8.170 1.00 0.00 C ATOM 157 C VAL A 12 -15.158 -0.191 -7.376 1.00 0.00 C ATOM 158 O VAL A 12 -15.053 -0.331 -6.158 1.00 0.00 O ATOM 159 CB VAL A 12 -12.816 -0.279 -8.245 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.226 -0.484 -6.858 1.00 0.00 C ATOM 161 CG2 VAL A 12 -13.090 -1.615 -8.920 1.00 0.00 C ATOM 0 H VAL A 12 -14.023 1.926 -6.575 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.466 0.743 -9.181 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.086 0.261 -8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.320 -1.085 -6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.984 0.484 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.951 -0.998 -6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.169 -2.197 -8.962 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.840 -2.163 -8.350 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.457 -1.443 -9.932 1.00 0.00 H new ATOM 171 N GLN A 13 -16.177 -0.679 -8.076 1.00 0.00 N ATOM 172 CA GLN A 13 -17.254 -1.423 -7.441 1.00 0.00 C ATOM 173 C GLN A 13 -16.740 -2.723 -6.832 1.00 0.00 C ATOM 174 O GLN A 13 -15.783 -3.317 -7.328 1.00 0.00 O ATOM 175 CB GLN A 13 -18.351 -1.716 -8.454 1.00 0.00 C ATOM 176 CG GLN A 13 -19.470 -0.688 -8.457 1.00 0.00 C ATOM 177 CD GLN A 13 -20.796 -1.272 -8.902 1.00 0.00 C ATOM 178 OE1 GLN A 13 -20.847 -2.355 -9.485 1.00 0.00 O ATOM 179 NE2 GLN A 13 -21.880 -0.554 -8.629 1.00 0.00 N ATOM 0 H GLN A 13 -16.278 -0.571 -9.085 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.662 -0.812 -6.636 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.910 -1.763 -9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -18.773 -2.699 -8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -19.578 -0.271 -7.456 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -19.200 0.136 -9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -21.791 0.339 -8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -22.801 -0.896 -8.905 1.00 0.00 H new ATOM 188 N ALA A 14 -17.382 -3.159 -5.751 1.00 0.00 N ATOM 189 CA ALA A 14 -16.995 -4.386 -5.068 1.00 0.00 C ATOM 190 C ALA A 14 -16.842 -5.544 -6.049 1.00 0.00 C ATOM 191 O ALA A 14 -17.583 -5.645 -7.027 1.00 0.00 O ATOM 192 CB ALA A 14 -18.014 -4.735 -3.995 1.00 0.00 C ATOM 0 H ALA A 14 -18.176 -2.677 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.027 -4.216 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -17.713 -5.654 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.069 -3.925 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.992 -4.877 -4.455 1.00 0.00 H new ATOM 198 N GLY A 15 -15.875 -6.413 -5.781 1.00 0.00 N ATOM 199 CA GLY A 15 -15.639 -7.551 -6.649 1.00 0.00 C ATOM 200 C GLY A 15 -14.612 -7.260 -7.727 1.00 0.00 C ATOM 201 O GLY A 15 -14.097 -8.178 -8.365 1.00 0.00 O ATOM 0 H GLY A 15 -15.250 -6.350 -4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.301 -8.396 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.578 -7.847 -7.117 1.00 0.00 H new ATOM 205 N GLY A 16 -14.312 -5.981 -7.931 1.00 0.00 N ATOM 206 CA GLY A 16 -13.342 -5.599 -8.940 1.00 0.00 C ATOM 207 C GLY A 16 -11.953 -5.411 -8.363 1.00 0.00 C ATOM 208 O GLY A 16 -11.776 -4.706 -7.370 1.00 0.00 O ATOM 0 H GLY A 16 -14.723 -5.203 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.310 -6.363 -9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.663 -4.673 -9.417 1.00 0.00 H new ATOM 212 N SER A 17 -10.965 -6.044 -8.986 1.00 0.00 N ATOM 213 CA SER A 17 -9.586 -5.943 -8.527 1.00 0.00 C ATOM 214 C SER A 17 -9.025 -4.549 -8.783 1.00 0.00 C ATOM 215 O SER A 17 -9.208 -3.982 -9.861 1.00 0.00 O ATOM 216 CB SER A 17 -8.717 -6.987 -9.225 1.00 0.00 C ATOM 217 OG SER A 17 -8.617 -8.169 -8.452 1.00 0.00 O ATOM 0 H SER A 17 -11.094 -6.632 -9.810 1.00 0.00 H new ATOM 0 HA SER A 17 -9.575 -6.128 -7.453 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.140 -7.223 -10.201 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.722 -6.578 -9.399 1.00 0.00 H new ATOM 0 HG SER A 17 -7.672 -8.383 -8.302 1.00 0.00 H new ATOM 223 N LEU A 18 -8.336 -4.005 -7.788 1.00 0.00 N ATOM 224 CA LEU A 18 -7.741 -2.681 -7.902 1.00 0.00 C ATOM 225 C LEU A 18 -6.228 -2.765 -7.734 1.00 0.00 C ATOM 226 O LEU A 18 -5.734 -3.405 -6.809 1.00 0.00 O ATOM 227 CB LEU A 18 -8.337 -1.740 -6.856 1.00 0.00 C ATOM 228 CG LEU A 18 -7.822 -0.305 -6.917 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.659 0.524 -7.879 1.00 0.00 C ATOM 230 CD2 LEU A 18 -7.822 0.321 -5.531 1.00 0.00 C ATOM 0 H LEU A 18 -8.175 -4.462 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.961 -2.285 -8.893 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.420 -1.727 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.130 -2.143 -5.865 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.796 -0.324 -7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.276 1.544 -7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.606 0.088 -8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.696 0.535 -7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.452 1.344 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.837 0.326 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.177 -0.258 -4.870 1.00 0.00 H new ATOM 242 N ARG A 19 -5.496 -2.124 -8.637 1.00 0.00 N ATOM 243 CA ARG A 19 -4.039 -2.143 -8.583 1.00 0.00 C ATOM 244 C ARG A 19 -3.476 -0.757 -8.293 1.00 0.00 C ATOM 245 O ARG A 19 -3.636 0.168 -9.089 1.00 0.00 O ATOM 246 CB ARG A 19 -3.468 -2.670 -9.900 1.00 0.00 C ATOM 247 CG ARG A 19 -2.011 -3.092 -9.806 1.00 0.00 C ATOM 248 CD ARG A 19 -1.701 -4.237 -10.756 1.00 0.00 C ATOM 249 NE ARG A 19 -0.717 -5.162 -10.198 1.00 0.00 N ATOM 250 CZ ARG A 19 0.596 -4.941 -10.202 1.00 0.00 C ATOM 251 NH1 ARG A 19 1.087 -3.828 -10.731 1.00 0.00 N ATOM 252 NH2 ARG A 19 1.420 -5.836 -9.674 1.00 0.00 N ATOM 0 H ARG A 19 -5.885 -1.587 -9.412 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.745 -2.807 -7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.064 -3.521 -10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.565 -1.898 -10.663 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.369 -2.242 -10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.784 -3.394 -8.784 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.619 -4.778 -10.983 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.327 -3.835 -11.698 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.056 -6.029 -9.781 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.458 -3.136 -11.138 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.094 -3.664 -10.731 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.048 -6.693 -9.265 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.426 -5.667 -9.677 1.00 0.00 H new ATOM 266 N LEU A 20 -2.806 -0.624 -7.152 1.00 0.00 N ATOM 267 CA LEU A 20 -2.208 0.644 -6.764 1.00 0.00 C ATOM 268 C LEU A 20 -0.693 0.578 -6.894 1.00 0.00 C ATOM 269 O LEU A 20 -0.068 -0.423 -6.537 1.00 0.00 O ATOM 270 CB LEU A 20 -2.594 1.008 -5.330 1.00 0.00 C ATOM 271 CG LEU A 20 -4.059 0.762 -4.970 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.337 1.201 -3.540 1.00 0.00 C ATOM 273 CD2 LEU A 20 -4.972 1.491 -5.942 1.00 0.00 C ATOM 0 H LEU A 20 -2.665 -1.380 -6.482 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.587 1.417 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.967 0.437 -4.645 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.368 2.062 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.260 -0.307 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.385 1.019 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.705 0.635 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.121 2.264 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.012 1.306 -5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.770 2.561 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.789 1.129 -6.954 1.00 0.00 H new ATOM 285 N SER A 21 -0.111 1.650 -7.411 1.00 0.00 N ATOM 286 CA SER A 21 1.330 1.726 -7.600 1.00 0.00 C ATOM 287 C SER A 21 1.906 2.957 -6.911 1.00 0.00 C ATOM 288 O SER A 21 1.536 4.087 -7.229 1.00 0.00 O ATOM 289 CB SER A 21 1.666 1.764 -9.091 1.00 0.00 C ATOM 290 OG SER A 21 1.177 2.950 -9.694 1.00 0.00 O ATOM 0 H SER A 21 -0.618 2.484 -7.709 1.00 0.00 H new ATOM 0 HA SER A 21 1.776 0.838 -7.153 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.746 1.703 -9.225 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.233 0.895 -9.587 1.00 0.00 H new ATOM 0 HG SER A 21 0.197 2.929 -9.709 1.00 0.00 H new ATOM 296 N CYS A 22 2.817 2.734 -5.970 1.00 0.00 N ATOM 297 CA CYS A 22 3.444 3.834 -5.246 1.00 0.00 C ATOM 298 C CYS A 22 4.947 3.854 -5.498 1.00 0.00 C ATOM 299 O CYS A 22 5.621 2.831 -5.392 1.00 0.00 O ATOM 300 CB CYS A 22 3.158 3.727 -3.746 1.00 0.00 C ATOM 301 SG CYS A 22 4.073 4.922 -2.715 1.00 0.00 S ATOM 0 H CYS A 22 3.137 1.806 -5.692 1.00 0.00 H new ATOM 0 HA CYS A 22 3.018 4.768 -5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.090 3.868 -3.582 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.402 2.718 -3.413 1.00 0.00 H new ATOM 306 N ALA A 23 5.461 5.030 -5.833 1.00 0.00 N ATOM 307 CA ALA A 23 6.884 5.192 -6.107 1.00 0.00 C ATOM 308 C ALA A 23 7.566 6.017 -5.022 1.00 0.00 C ATOM 309 O ALA A 23 6.952 6.896 -4.418 1.00 0.00 O ATOM 310 CB ALA A 23 7.088 5.839 -7.469 1.00 0.00 C ATOM 0 H ALA A 23 4.914 5.886 -5.922 1.00 0.00 H new ATOM 0 HA ALA A 23 7.340 4.202 -6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.155 5.954 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.646 5.209 -8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.609 6.818 -7.482 1.00 0.00 H new ATOM 316 N ALA A 24 8.841 5.728 -4.782 1.00 0.00 N ATOM 317 CA ALA A 24 9.610 6.442 -3.770 1.00 0.00 C ATOM 318 C ALA A 24 10.743 7.240 -4.406 1.00 0.00 C ATOM 319 O ALA A 24 10.799 7.394 -5.627 1.00 0.00 O ATOM 320 CB ALA A 24 10.162 5.467 -2.741 1.00 0.00 C ATOM 0 H ALA A 24 9.363 5.004 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 24 8.943 7.143 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.734 6.014 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.338 4.943 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.811 4.744 -3.236 1.00 0.00 H new ATOM 414 N TYR A 32 15.167 0.699 5.332 1.00 0.00 N ATOM 415 CA TYR A 32 13.897 1.243 4.880 1.00 0.00 C ATOM 416 C TYR A 32 13.102 0.197 4.099 1.00 0.00 C ATOM 417 O TYR A 32 13.675 -0.648 3.413 1.00 0.00 O ATOM 418 CB TYR A 32 14.172 2.487 4.021 1.00 0.00 C ATOM 419 CG TYR A 32 13.334 2.605 2.761 1.00 0.00 C ATOM 420 CD1 TYR A 32 13.551 1.760 1.679 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.340 3.569 2.651 1.00 0.00 C ATOM 422 CE1 TYR A 32 12.798 1.870 0.525 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.585 3.686 1.499 1.00 0.00 C ATOM 424 CZ TYR A 32 11.817 2.834 0.440 1.00 0.00 C ATOM 425 OH TYR A 32 11.067 2.949 -0.708 1.00 0.00 O ATOM 0 HA TYR A 32 13.292 1.526 5.742 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.006 3.374 4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 32 15.225 2.487 3.738 1.00 0.00 H new ATOM 0 HD1 TYR A 32 14.321 1.005 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.154 4.238 3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.978 1.204 -0.306 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.817 4.442 1.429 1.00 0.00 H new ATOM 0 HH TYR A 32 10.419 3.677 -0.604 1.00 0.00 H new ATOM 435 N ASP A 33 11.780 0.266 4.210 1.00 0.00 N ATOM 436 CA ASP A 33 10.898 -0.667 3.516 1.00 0.00 C ATOM 437 C ASP A 33 9.818 0.085 2.745 1.00 0.00 C ATOM 438 O ASP A 33 9.887 1.305 2.598 1.00 0.00 O ATOM 439 CB ASP A 33 10.252 -1.630 4.514 1.00 0.00 C ATOM 440 CG ASP A 33 11.263 -2.246 5.461 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.289 -2.768 4.976 1.00 0.00 O ATOM 442 OD2 ASP A 33 11.029 -2.206 6.687 1.00 0.00 O ATOM 0 H ASP A 33 11.293 0.961 4.776 1.00 0.00 H new ATOM 0 HA ASP A 33 11.497 -1.239 2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.496 -1.098 5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.739 -2.422 3.970 1.00 0.00 H new ATOM 447 N MET A 34 8.820 -0.645 2.253 1.00 0.00 N ATOM 448 CA MET A 34 7.732 -0.032 1.500 1.00 0.00 C ATOM 449 C MET A 34 6.424 -0.789 1.710 1.00 0.00 C ATOM 450 O MET A 34 6.332 -1.980 1.414 1.00 0.00 O ATOM 451 CB MET A 34 8.079 0.015 0.009 1.00 0.00 C ATOM 452 CG MET A 34 8.046 1.416 -0.578 1.00 0.00 C ATOM 453 SD MET A 34 7.394 1.451 -2.259 1.00 0.00 S ATOM 454 CE MET A 34 6.760 3.124 -2.341 1.00 0.00 C ATOM 0 H MET A 34 8.743 -1.656 2.362 1.00 0.00 H new ATOM 0 HA MET A 34 7.599 0.986 1.867 1.00 0.00 H new ATOM 0 HB2 MET A 34 9.073 -0.408 -0.138 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.379 -0.616 -0.539 1.00 0.00 H new ATOM 0 HG2 MET A 34 7.436 2.057 0.058 1.00 0.00 H new ATOM 0 HG3 MET A 34 9.054 1.831 -0.575 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.720 3.447 -3.381 1.00 0.00 H new ATOM 0 HE2 MET A 34 5.758 3.155 -1.912 1.00 0.00 H new ATOM 0 HE3 MET A 34 7.416 3.789 -1.779 1.00 0.00 H new ATOM 464 N GLY A 35 5.415 -0.092 2.224 1.00 0.00 N ATOM 465 CA GLY A 35 4.129 -0.721 2.464 1.00 0.00 C ATOM 466 C GLY A 35 2.962 0.215 2.224 1.00 0.00 C ATOM 467 O GLY A 35 3.146 1.420 2.059 1.00 0.00 O ATOM 0 H GLY A 35 5.465 0.895 2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.029 -1.592 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.093 -1.083 3.492 1.00 0.00 H new ATOM 471 N TRP A 36 1.756 -0.345 2.199 1.00 0.00 N ATOM 472 CA TRP A 36 0.552 0.433 1.972 1.00 0.00 C ATOM 473 C TRP A 36 -0.255 0.582 3.251 1.00 0.00 C ATOM 474 O TRP A 36 -0.099 -0.194 4.194 1.00 0.00 O ATOM 475 CB TRP A 36 -0.297 -0.239 0.905 1.00 0.00 C ATOM 476 CG TRP A 36 0.258 -0.107 -0.480 1.00 0.00 C ATOM 477 CD1 TRP A 36 1.221 -0.887 -1.053 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.120 0.858 -1.469 1.00 0.00 C ATOM 479 NE1 TRP A 36 1.467 -0.465 -2.337 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.657 0.605 -2.616 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.038 1.911 -1.496 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.541 1.366 -3.776 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.152 2.666 -2.648 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.367 2.390 -3.774 1.00 0.00 C ATOM 0 H TRP A 36 1.591 -1.342 2.335 1.00 0.00 H new ATOM 0 HA TRP A 36 0.846 1.428 1.637 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.398 -1.297 1.147 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.299 0.190 0.927 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.717 -1.715 -0.568 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.143 -0.880 -2.978 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.648 2.131 -0.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.146 1.156 -4.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.858 3.482 -2.680 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.480 2.998 -4.659 1.00 0.00 H new ATOM 495 N PHE A 37 -1.117 1.589 3.276 1.00 0.00 N ATOM 496 CA PHE A 37 -1.948 1.851 4.429 1.00 0.00 C ATOM 497 C PHE A 37 -3.368 2.200 4.002 1.00 0.00 C ATOM 498 O PHE A 37 -3.671 2.273 2.812 1.00 0.00 O ATOM 499 CB PHE A 37 -1.358 3.008 5.228 1.00 0.00 C ATOM 500 CG PHE A 37 -0.398 2.583 6.299 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.947 2.423 6.017 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.841 2.351 7.591 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.835 2.038 7.002 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.042 1.965 8.582 1.00 0.00 C ATOM 505 CZ PHE A 37 1.382 1.808 8.287 1.00 0.00 C ATOM 0 H PHE A 37 -1.255 2.239 2.502 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.981 0.953 5.046 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.847 3.685 4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.171 3.572 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.307 2.601 5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.888 2.473 7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.882 1.917 6.768 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.315 1.786 9.585 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.074 1.506 9.059 1.00 0.00 H new ATOM 515 N ARG A 38 -4.228 2.426 4.985 1.00 0.00 N ATOM 516 CA ARG A 38 -5.613 2.782 4.722 1.00 0.00 C ATOM 517 C ARG A 38 -6.204 3.532 5.911 1.00 0.00 C ATOM 518 O ARG A 38 -5.750 3.366 7.043 1.00 0.00 O ATOM 519 CB ARG A 38 -6.436 1.528 4.430 1.00 0.00 C ATOM 520 CG ARG A 38 -6.494 0.552 5.593 1.00 0.00 C ATOM 521 CD ARG A 38 -7.468 -0.582 5.318 1.00 0.00 C ATOM 522 NE ARG A 38 -8.826 -0.253 5.748 1.00 0.00 N ATOM 523 CZ ARG A 38 -9.914 -0.893 5.325 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.809 -1.896 4.462 1.00 0.00 N ATOM 525 NH2 ARG A 38 -11.110 -0.528 5.767 1.00 0.00 N ATOM 0 H ARG A 38 -3.989 2.369 5.975 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.643 3.433 3.848 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.451 1.824 4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.014 1.021 3.562 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.500 0.143 5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.794 1.080 6.498 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.470 -0.808 4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.132 -1.482 5.834 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.947 0.512 6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.891 -2.180 4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.646 -2.383 4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.195 0.242 6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.944 -1.018 5.444 1.00 0.00 H new ATOM 539 N GLN A 39 -7.212 4.361 5.656 1.00 0.00 N ATOM 540 CA GLN A 39 -7.842 5.129 6.723 1.00 0.00 C ATOM 541 C GLN A 39 -9.260 5.547 6.347 1.00 0.00 C ATOM 542 O GLN A 39 -9.470 6.267 5.371 1.00 0.00 O ATOM 543 CB GLN A 39 -6.994 6.363 7.051 1.00 0.00 C ATOM 544 CG GLN A 39 -7.645 7.324 8.033 1.00 0.00 C ATOM 545 CD GLN A 39 -7.898 6.700 9.385 1.00 0.00 C ATOM 546 OE1 GLN A 39 -8.258 5.528 9.487 1.00 0.00 O ATOM 547 NE2 GLN A 39 -7.714 7.487 10.433 1.00 0.00 N ATOM 0 H GLN A 39 -7.607 4.517 4.728 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.906 4.492 7.605 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.039 6.035 7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.778 6.898 6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.006 8.198 8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.590 7.675 7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.415 8.453 10.299 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.871 7.128 11.375 1.00 0.00 H new ATOM 556 N ALA A 40 -10.228 5.093 7.137 1.00 0.00 N ATOM 557 CA ALA A 40 -11.628 5.419 6.904 1.00 0.00 C ATOM 558 C ALA A 40 -12.098 6.495 7.880 1.00 0.00 C ATOM 559 O ALA A 40 -11.388 6.832 8.827 1.00 0.00 O ATOM 560 CB ALA A 40 -12.488 4.169 7.032 1.00 0.00 C ATOM 0 H ALA A 40 -10.066 4.495 7.948 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.730 5.809 5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.532 4.426 6.856 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.167 3.430 6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -12.381 3.755 8.034 1.00 0.00 H new ATOM 566 N PRO A 41 -13.299 7.056 7.663 1.00 0.00 N ATOM 567 CA PRO A 41 -13.843 8.100 8.535 1.00 0.00 C ATOM 568 C PRO A 41 -14.269 7.561 9.888 1.00 0.00 C ATOM 569 O PRO A 41 -14.835 6.472 9.988 1.00 0.00 O ATOM 570 CB PRO A 41 -15.045 8.628 7.753 1.00 0.00 C ATOM 571 CG PRO A 41 -15.472 7.484 6.899 1.00 0.00 C ATOM 572 CD PRO A 41 -14.217 6.725 6.556 1.00 0.00 C ATOM 0 HA PRO A 41 -13.104 8.867 8.764 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.846 8.943 8.422 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.775 9.494 7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -16.180 6.846 7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.972 7.837 5.997 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.401 5.652 6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.812 7.034 5.593 1.00 0.00 H new ATOM 580 N GLY A 42 -13.969 8.324 10.933 1.00 0.00 N ATOM 581 CA GLY A 42 -14.301 7.901 12.276 1.00 0.00 C ATOM 582 C GLY A 42 -13.465 6.714 12.713 1.00 0.00 C ATOM 583 O GLY A 42 -13.663 6.172 13.801 1.00 0.00 O ATOM 0 H GLY A 42 -13.501 9.228 10.872 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.146 8.729 12.967 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.358 7.639 12.324 1.00 0.00 H new ATOM 587 N LYS A 43 -12.532 6.299 11.854 1.00 0.00 N ATOM 588 CA LYS A 43 -11.674 5.170 12.140 1.00 0.00 C ATOM 589 C LYS A 43 -10.212 5.595 12.191 1.00 0.00 C ATOM 590 O LYS A 43 -9.831 6.620 11.627 1.00 0.00 O ATOM 591 CB LYS A 43 -11.869 4.120 11.056 1.00 0.00 C ATOM 592 CG LYS A 43 -11.643 2.694 11.530 1.00 0.00 C ATOM 593 CD LYS A 43 -12.855 2.155 12.276 1.00 0.00 C ATOM 594 CE LYS A 43 -13.231 0.762 11.796 1.00 0.00 C ATOM 595 NZ LYS A 43 -14.629 0.405 12.167 1.00 0.00 N ATOM 0 H LYS A 43 -12.358 6.738 10.950 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.939 4.759 13.114 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.881 4.205 10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.186 4.331 10.233 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.428 2.055 10.674 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.769 2.660 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.643 2.128 13.345 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.700 2.830 12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.118 0.708 10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.544 0.032 12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.846 -0.552 11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.731 0.431 13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.287 1.086 11.737 1.00 0.00 H new ATOM 609 N GLU A 44 -9.398 4.792 12.860 1.00 0.00 N ATOM 610 CA GLU A 44 -7.971 5.069 12.977 1.00 0.00 C ATOM 611 C GLU A 44 -7.223 4.495 11.779 1.00 0.00 C ATOM 612 O GLU A 44 -7.707 3.575 11.120 1.00 0.00 O ATOM 613 CB GLU A 44 -7.414 4.479 14.274 1.00 0.00 C ATOM 614 CG GLU A 44 -8.324 4.676 15.475 1.00 0.00 C ATOM 615 CD GLU A 44 -7.553 4.831 16.771 1.00 0.00 C ATOM 616 OE1 GLU A 44 -6.361 5.197 16.713 1.00 0.00 O ATOM 617 OE2 GLU A 44 -8.142 4.587 17.845 1.00 0.00 O ATOM 0 H GLU A 44 -9.701 3.940 13.332 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.830 6.150 12.998 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.240 3.412 14.132 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.446 4.935 14.484 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.943 5.559 15.317 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.000 3.825 15.558 1.00 0.00 H new ATOM 624 N ARG A 45 -6.045 5.040 11.495 1.00 0.00 N ATOM 625 CA ARG A 45 -5.249 4.570 10.366 1.00 0.00 C ATOM 626 C ARG A 45 -4.692 3.177 10.629 1.00 0.00 C ATOM 627 O ARG A 45 -4.335 2.836 11.757 1.00 0.00 O ATOM 628 CB ARG A 45 -4.101 5.536 10.071 1.00 0.00 C ATOM 629 CG ARG A 45 -3.849 5.742 8.583 1.00 0.00 C ATOM 630 CD ARG A 45 -2.380 5.551 8.225 1.00 0.00 C ATOM 631 NE ARG A 45 -1.840 6.702 7.504 1.00 0.00 N ATOM 632 CZ ARG A 45 -2.248 7.076 6.294 1.00 0.00 C ATOM 633 NH1 ARG A 45 -3.199 6.395 5.666 1.00 0.00 N ATOM 634 NH2 ARG A 45 -1.703 8.133 5.709 1.00 0.00 N ATOM 0 H ARG A 45 -5.622 5.802 12.026 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.907 4.525 9.498 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.320 6.499 10.531 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.191 5.159 10.537 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.456 5.041 8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.165 6.745 8.296 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.803 5.390 9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.269 4.655 7.614 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.108 7.251 7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.621 5.580 6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.507 6.687 4.739 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.971 8.659 6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.015 8.420 4.781 1.00 0.00 H new ATOM 648 N GLU A 46 -4.622 2.380 9.572 1.00 0.00 N ATOM 649 CA GLU A 46 -4.112 1.020 9.660 1.00 0.00 C ATOM 650 C GLU A 46 -3.446 0.616 8.349 1.00 0.00 C ATOM 651 O GLU A 46 -3.859 1.052 7.274 1.00 0.00 O ATOM 652 CB GLU A 46 -5.249 0.057 10.005 1.00 0.00 C ATOM 653 CG GLU A 46 -6.222 -0.189 8.861 1.00 0.00 C ATOM 654 CD GLU A 46 -6.463 -1.664 8.604 1.00 0.00 C ATOM 655 OE1 GLU A 46 -7.192 -2.294 9.398 1.00 0.00 O ATOM 656 OE2 GLU A 46 -5.921 -2.189 7.608 1.00 0.00 O ATOM 0 H GLU A 46 -4.915 2.656 8.635 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.364 0.974 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.822 -0.896 10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.800 0.453 10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.172 0.296 9.087 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.835 0.275 7.954 1.00 0.00 H new ATOM 663 N SER A 47 -2.409 -0.209 8.439 1.00 0.00 N ATOM 664 CA SER A 47 -1.691 -0.653 7.264 1.00 0.00 C ATOM 665 C SER A 47 -2.460 -1.732 6.518 1.00 0.00 C ATOM 666 O SER A 47 -3.489 -2.224 6.981 1.00 0.00 O ATOM 667 CB SER A 47 -0.310 -1.171 7.660 1.00 0.00 C ATOM 668 OG SER A 47 0.204 -2.077 6.699 1.00 0.00 O ATOM 0 H SER A 47 -2.051 -0.581 9.319 1.00 0.00 H new ATOM 0 HA SER A 47 -1.579 0.201 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.376 -0.331 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.371 -1.665 8.630 1.00 0.00 H new ATOM 0 HG SER A 47 1.089 -2.387 6.983 1.00 0.00 H new ATOM 674 N VAL A 48 -1.937 -2.086 5.359 1.00 0.00 N ATOM 675 CA VAL A 48 -2.543 -3.107 4.513 1.00 0.00 C ATOM 676 C VAL A 48 -1.531 -4.183 4.135 1.00 0.00 C ATOM 677 O VAL A 48 -1.711 -5.358 4.456 1.00 0.00 O ATOM 678 CB VAL A 48 -3.128 -2.503 3.227 1.00 0.00 C ATOM 679 CG1 VAL A 48 -3.968 -3.531 2.485 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.945 -1.257 3.538 1.00 0.00 C ATOM 0 H VAL A 48 -1.084 -1.678 4.975 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.349 -3.554 5.095 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.301 -2.210 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.373 -3.083 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.347 -4.387 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.787 -3.861 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.349 -0.847 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.764 -1.517 4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.307 -0.514 4.016 1.00 0.00 H new ATOM 690 N ALA A 49 -0.466 -3.776 3.452 1.00 0.00 N ATOM 691 CA ALA A 49 0.574 -4.709 3.033 1.00 0.00 C ATOM 692 C ALA A 49 1.921 -4.013 2.912 1.00 0.00 C ATOM 693 O ALA A 49 2.065 -3.037 2.178 1.00 0.00 O ATOM 694 CB ALA A 49 0.195 -5.367 1.714 1.00 0.00 C ATOM 0 H ALA A 49 -0.300 -2.808 3.177 1.00 0.00 H new ATOM 0 HA ALA A 49 0.663 -5.481 3.798 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.981 -6.060 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.742 -5.911 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.074 -4.602 0.947 1.00 0.00 H new ATOM 700 N ALA A 50 2.907 -4.523 3.640 1.00 0.00 N ATOM 701 CA ALA A 50 4.245 -3.950 3.620 1.00 0.00 C ATOM 702 C ALA A 50 5.274 -4.969 3.152 1.00 0.00 C ATOM 703 O ALA A 50 5.135 -6.162 3.398 1.00 0.00 O ATOM 704 CB ALA A 50 4.602 -3.423 4.998 1.00 0.00 C ATOM 0 H ALA A 50 2.804 -5.333 4.252 1.00 0.00 H new ATOM 0 HA ALA A 50 4.254 -3.123 2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.605 -2.996 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.886 -2.654 5.290 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.572 -4.240 5.719 1.00 0.00 H new ATOM 710 N ILE A 51 6.307 -4.493 2.472 1.00 0.00 N ATOM 711 CA ILE A 51 7.349 -5.374 1.971 1.00 0.00 C ATOM 712 C ILE A 51 8.736 -4.843 2.306 1.00 0.00 C ATOM 713 O ILE A 51 8.984 -3.636 2.255 1.00 0.00 O ATOM 714 CB ILE A 51 7.231 -5.564 0.448 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.218 -6.627 -0.041 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.453 -4.244 -0.280 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.671 -8.036 0.026 1.00 0.00 C ATOM 0 H ILE A 51 6.445 -3.506 2.256 1.00 0.00 H new ATOM 0 HA ILE A 51 7.213 -6.337 2.463 1.00 0.00 H new ATOM 0 HB ILE A 51 6.221 -5.908 0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.500 -6.404 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.127 -6.570 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.365 -4.402 -1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.705 -3.520 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.448 -3.864 -0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.424 -8.736 -0.336 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.416 -8.279 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.779 -8.110 -0.595 1.00 0.00 H new ATOM 729 N ASN A 52 9.636 -5.757 2.646 1.00 0.00 N ATOM 730 CA ASN A 52 10.998 -5.404 2.987 1.00 0.00 C ATOM 731 C ASN A 52 11.769 -4.958 1.748 1.00 0.00 C ATOM 732 O ASN A 52 11.290 -5.104 0.623 1.00 0.00 O ATOM 733 CB ASN A 52 11.686 -6.602 3.629 1.00 0.00 C ATOM 734 CG ASN A 52 10.843 -7.246 4.713 1.00 0.00 C ATOM 735 OD1 ASN A 52 10.645 -8.461 4.721 1.00 0.00 O ATOM 736 ND2 ASN A 52 10.342 -6.433 5.635 1.00 0.00 N ATOM 0 H ASN A 52 9.439 -6.757 2.691 1.00 0.00 H new ATOM 0 HA ASN A 52 10.980 -4.573 3.692 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.911 -7.342 2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.638 -6.285 4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.767 -6.809 6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.532 -5.432 5.590 1.00 0.00 H new ATOM 800 N ARG A 57 10.335 -11.069 2.869 1.00 0.00 N ATOM 801 CA ARG A 57 8.947 -11.381 3.194 1.00 0.00 C ATOM 802 C ARG A 57 8.099 -10.114 3.243 1.00 0.00 C ATOM 803 O ARG A 57 8.622 -9.006 3.378 1.00 0.00 O ATOM 804 CB ARG A 57 8.873 -12.110 4.538 1.00 0.00 C ATOM 805 CG ARG A 57 7.605 -12.928 4.729 1.00 0.00 C ATOM 806 CD ARG A 57 7.567 -14.130 3.798 1.00 0.00 C ATOM 807 NE ARG A 57 6.201 -14.498 3.436 1.00 0.00 N ATOM 808 CZ ARG A 57 5.860 -15.680 2.927 1.00 0.00 C ATOM 809 NH1 ARG A 57 6.783 -16.611 2.717 1.00 0.00 N ATOM 810 NH2 ARG A 57 4.594 -15.931 2.627 1.00 0.00 N ATOM 0 HA ARG A 57 8.552 -12.028 2.411 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.736 -12.770 4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.945 -11.377 5.342 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.542 -13.266 5.763 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.734 -12.298 4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.134 -13.907 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.055 -14.977 4.280 1.00 0.00 H new ATOM 0 HE ARG A 57 5.464 -13.808 3.582 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.759 -16.422 2.946 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.516 -17.515 2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.881 -15.219 2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.332 -16.836 2.237 1.00 0.00 H new ATOM 824 N THR A 58 6.786 -10.286 3.134 1.00 0.00 N ATOM 825 CA THR A 58 5.862 -9.161 3.169 1.00 0.00 C ATOM 826 C THR A 58 5.120 -9.111 4.502 1.00 0.00 C ATOM 827 O THR A 58 5.348 -9.939 5.384 1.00 0.00 O ATOM 828 CB THR A 58 4.863 -9.254 2.013 1.00 0.00 C ATOM 829 OG1 THR A 58 5.240 -10.271 1.101 1.00 0.00 O ATOM 830 CG2 THR A 58 4.731 -7.965 1.230 1.00 0.00 C ATOM 0 H THR A 58 6.338 -11.195 3.021 1.00 0.00 H new ATOM 0 HA THR A 58 6.440 -8.243 3.061 1.00 0.00 H new ATOM 0 HB THR A 58 3.904 -9.478 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.587 -10.314 0.371 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.008 -8.100 0.426 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.392 -7.169 1.893 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.699 -7.696 0.806 1.00 0.00 H new ATOM 838 N TYR A 59 4.237 -8.130 4.641 1.00 0.00 N ATOM 839 CA TYR A 59 3.461 -7.958 5.862 1.00 0.00 C ATOM 840 C TYR A 59 2.016 -7.599 5.535 1.00 0.00 C ATOM 841 O TYR A 59 1.655 -6.423 5.489 1.00 0.00 O ATOM 842 CB TYR A 59 4.091 -6.864 6.727 1.00 0.00 C ATOM 843 CG TYR A 59 3.260 -6.477 7.933 1.00 0.00 C ATOM 844 CD1 TYR A 59 2.600 -7.440 8.686 1.00 0.00 C ATOM 845 CD2 TYR A 59 3.135 -5.147 8.313 1.00 0.00 C ATOM 846 CE1 TYR A 59 1.839 -7.087 9.785 1.00 0.00 C ATOM 847 CE2 TYR A 59 2.376 -4.786 9.409 1.00 0.00 C ATOM 848 CZ TYR A 59 1.730 -5.759 10.142 1.00 0.00 C ATOM 849 OH TYR A 59 0.973 -5.403 11.234 1.00 0.00 O ATOM 0 H TYR A 59 4.040 -7.438 3.918 1.00 0.00 H new ATOM 0 HA TYR A 59 3.465 -8.899 6.413 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.070 -7.202 7.067 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.255 -5.979 6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.683 -8.480 8.409 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.640 -4.382 7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.332 -7.847 10.361 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.289 -3.747 9.690 1.00 0.00 H new ATOM 0 HH TYR A 59 1.002 -4.430 11.349 1.00 0.00 H new ATOM 859 N TYR A 60 1.193 -8.618 5.309 1.00 0.00 N ATOM 860 CA TYR A 60 -0.210 -8.410 4.986 1.00 0.00 C ATOM 861 C TYR A 60 -0.988 -7.948 6.214 1.00 0.00 C ATOM 862 O TYR A 60 -0.533 -8.109 7.346 1.00 0.00 O ATOM 863 CB TYR A 60 -0.817 -9.701 4.440 1.00 0.00 C ATOM 864 CG TYR A 60 -0.418 -10.006 3.014 1.00 0.00 C ATOM 865 CD1 TYR A 60 0.793 -10.624 2.729 1.00 0.00 C ATOM 866 CD2 TYR A 60 -1.252 -9.676 1.953 1.00 0.00 C ATOM 867 CE1 TYR A 60 1.162 -10.905 1.428 1.00 0.00 C ATOM 868 CE2 TYR A 60 -0.890 -9.954 0.649 1.00 0.00 C ATOM 869 CZ TYR A 60 0.317 -10.569 0.391 1.00 0.00 C ATOM 870 OH TYR A 60 0.680 -10.848 -0.906 1.00 0.00 O ATOM 0 H TYR A 60 1.476 -9.597 5.344 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.275 -7.632 4.226 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.515 -10.532 5.078 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.903 -9.634 4.497 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.457 -10.889 3.538 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -2.198 -9.195 2.151 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.107 -11.385 1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.549 -9.691 -0.165 1.00 0.00 H new ATOM 0 HH TYR A 60 1.644 -10.709 -1.013 1.00 0.00 H new ATOM 880 N ALA A 61 -2.163 -7.372 5.981 1.00 0.00 N ATOM 881 CA ALA A 61 -3.004 -6.886 7.067 1.00 0.00 C ATOM 882 C ALA A 61 -4.288 -7.702 7.175 1.00 0.00 C ATOM 883 O ALA A 61 -4.667 -8.412 6.242 1.00 0.00 O ATOM 884 CB ALA A 61 -3.325 -5.413 6.864 1.00 0.00 C ATOM 0 H ALA A 61 -2.554 -7.231 5.049 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.454 -7.001 8.001 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.954 -5.062 7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.399 -4.838 6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.852 -5.282 5.919 1.00 0.00 H new ATOM 890 N SER A 62 -4.955 -7.595 8.318 1.00 0.00 N ATOM 891 CA SER A 62 -6.193 -8.325 8.543 1.00 0.00 C ATOM 892 C SER A 62 -7.307 -7.770 7.668 1.00 0.00 C ATOM 893 O SER A 62 -7.293 -6.596 7.298 1.00 0.00 O ATOM 894 CB SER A 62 -6.596 -8.255 10.017 1.00 0.00 C ATOM 895 OG SER A 62 -5.851 -9.176 10.794 1.00 0.00 O ATOM 0 H SER A 62 -4.659 -7.011 9.100 1.00 0.00 H new ATOM 0 HA SER A 62 -6.028 -9.369 8.276 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.436 -7.244 10.393 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.660 -8.468 10.117 1.00 0.00 H new ATOM 0 HG SER A 62 -6.126 -9.110 11.732 1.00 0.00 H new ATOM 901 N SER A 63 -8.259 -8.636 7.322 1.00 0.00 N ATOM 902 CA SER A 63 -9.385 -8.264 6.466 1.00 0.00 C ATOM 903 C SER A 63 -9.011 -8.411 4.993 1.00 0.00 C ATOM 904 O SER A 63 -9.876 -8.372 4.118 1.00 0.00 O ATOM 905 CB SER A 63 -9.852 -6.831 6.750 1.00 0.00 C ATOM 906 OG SER A 63 -11.197 -6.642 6.344 1.00 0.00 O ATOM 0 H SER A 63 -8.272 -9.610 7.625 1.00 0.00 H new ATOM 0 HA SER A 63 -10.209 -8.941 6.691 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.757 -6.619 7.815 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.208 -6.125 6.226 1.00 0.00 H new ATOM 0 HG SER A 63 -11.331 -7.041 5.459 1.00 0.00 H new ATOM 912 N VAL A 64 -7.717 -8.588 4.724 1.00 0.00 N ATOM 913 CA VAL A 64 -7.237 -8.747 3.358 1.00 0.00 C ATOM 914 C VAL A 64 -6.053 -9.714 3.289 1.00 0.00 C ATOM 915 O VAL A 64 -5.396 -9.825 2.254 1.00 0.00 O ATOM 916 CB VAL A 64 -6.816 -7.396 2.751 1.00 0.00 C ATOM 917 CG1 VAL A 64 -8.001 -6.442 2.703 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.662 -6.788 3.537 1.00 0.00 C ATOM 0 H VAL A 64 -6.987 -8.624 5.435 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.066 -9.157 2.782 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.474 -7.569 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.686 -5.492 2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.792 -6.875 2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.375 -6.275 3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.381 -5.834 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.970 -6.629 4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.809 -7.466 3.513 1.00 0.00 H new ATOM 928 N ARG A 65 -5.781 -10.409 4.393 1.00 0.00 N ATOM 929 CA ARG A 65 -4.685 -11.348 4.453 1.00 0.00 C ATOM 930 C ARG A 65 -5.067 -12.670 3.814 1.00 0.00 C ATOM 931 O ARG A 65 -5.427 -13.632 4.492 1.00 0.00 O ATOM 932 CB ARG A 65 -4.271 -11.564 5.903 1.00 0.00 C ATOM 933 CG ARG A 65 -2.784 -11.795 6.078 1.00 0.00 C ATOM 934 CD ARG A 65 -2.479 -13.235 6.457 1.00 0.00 C ATOM 935 NE ARG A 65 -1.059 -13.440 6.734 1.00 0.00 N ATOM 936 CZ ARG A 65 -0.474 -13.119 7.886 1.00 0.00 C ATOM 937 NH1 ARG A 65 -1.181 -12.575 8.869 1.00 0.00 N ATOM 938 NH2 ARG A 65 0.822 -13.341 8.056 1.00 0.00 N ATOM 0 H ARG A 65 -6.315 -10.331 5.259 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.844 -10.935 3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.567 -10.695 6.491 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.813 -12.420 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.266 -11.545 5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.400 -11.127 6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.063 -13.510 7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.790 -13.896 5.648 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.482 -13.853 6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.178 -12.401 8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.727 -12.331 9.749 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.371 -13.758 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.270 -13.095 8.939 1.00 0.00 H new ATOM 952 N GLY A 66 -4.983 -12.695 2.499 1.00 0.00 N ATOM 953 CA GLY A 66 -5.317 -13.884 1.746 1.00 0.00 C ATOM 954 C GLY A 66 -6.084 -13.567 0.478 1.00 0.00 C ATOM 955 O GLY A 66 -6.391 -14.463 -0.308 1.00 0.00 O ATOM 0 H GLY A 66 -4.685 -11.903 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.402 -14.418 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.912 -14.551 2.370 1.00 0.00 H new ATOM 959 N ARG A 67 -6.400 -12.289 0.279 1.00 0.00 N ATOM 960 CA ARG A 67 -7.139 -11.863 -0.901 1.00 0.00 C ATOM 961 C ARG A 67 -6.378 -10.790 -1.674 1.00 0.00 C ATOM 962 O ARG A 67 -6.168 -10.916 -2.880 1.00 0.00 O ATOM 963 CB ARG A 67 -8.520 -11.346 -0.498 1.00 0.00 C ATOM 964 CG ARG A 67 -8.508 -10.418 0.707 1.00 0.00 C ATOM 965 CD ARG A 67 -9.723 -10.644 1.593 1.00 0.00 C ATOM 966 NE ARG A 67 -10.804 -9.709 1.288 1.00 0.00 N ATOM 967 CZ ARG A 67 -11.887 -10.025 0.579 1.00 0.00 C ATOM 968 NH1 ARG A 67 -12.034 -11.244 0.072 1.00 0.00 N ATOM 969 NH2 ARG A 67 -12.827 -9.114 0.368 1.00 0.00 N ATOM 0 H ARG A 67 -6.155 -11.534 0.920 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.258 -12.727 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.960 -10.819 -1.345 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.166 -12.197 -0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.599 -10.582 1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.489 -9.382 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.080 -11.666 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.434 -10.536 2.639 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.724 -8.755 1.640 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.313 -11.950 0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.867 -11.474 -0.469 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.720 -8.174 0.748 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.657 -9.354 -0.174 1.00 0.00 H new ATOM 983 N PHE A 68 -5.963 -9.737 -0.976 1.00 0.00 N ATOM 984 CA PHE A 68 -5.223 -8.648 -1.607 1.00 0.00 C ATOM 985 C PHE A 68 -3.823 -9.111 -2.005 1.00 0.00 C ATOM 986 O PHE A 68 -3.315 -10.100 -1.476 1.00 0.00 O ATOM 987 CB PHE A 68 -5.136 -7.448 -0.660 1.00 0.00 C ATOM 988 CG PHE A 68 -6.411 -6.649 -0.564 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.630 -7.197 -0.941 1.00 0.00 C ATOM 990 CD2 PHE A 68 -6.387 -5.345 -0.093 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.796 -6.460 -0.849 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.551 -4.605 0.000 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.757 -5.163 -0.378 1.00 0.00 C ATOM 0 H PHE A 68 -6.126 -9.614 0.023 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.755 -8.345 -2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.865 -7.802 0.335 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.332 -6.792 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.668 -8.211 -1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.448 -4.902 0.205 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.737 -6.899 -1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.518 -3.590 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.667 -4.586 -0.305 1.00 0.00 H new ATOM 1003 N THR A 69 -3.206 -8.398 -2.943 1.00 0.00 N ATOM 1004 CA THR A 69 -1.868 -8.748 -3.411 1.00 0.00 C ATOM 1005 C THR A 69 -0.904 -7.578 -3.262 1.00 0.00 C ATOM 1006 O THR A 69 -1.297 -6.416 -3.367 1.00 0.00 O ATOM 1007 CB THR A 69 -1.919 -9.196 -4.873 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.885 -10.217 -5.051 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.595 -9.722 -5.384 1.00 0.00 C ATOM 0 H THR A 69 -3.610 -7.576 -3.393 1.00 0.00 H new ATOM 0 HA THR A 69 -1.504 -9.569 -2.794 1.00 0.00 H new ATOM 0 HB THR A 69 -2.180 -8.303 -5.440 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.783 -9.838 -4.955 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.701 -10.022 -6.426 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.161 -8.941 -5.306 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.291 -10.582 -4.788 1.00 0.00 H new ATOM 1017 N ILE A 70 0.363 -7.901 -3.018 1.00 0.00 N ATOM 1018 CA ILE A 70 1.400 -6.891 -2.850 1.00 0.00 C ATOM 1019 C ILE A 70 2.687 -7.317 -3.554 1.00 0.00 C ATOM 1020 O ILE A 70 3.101 -8.473 -3.460 1.00 0.00 O ATOM 1021 CB ILE A 70 1.691 -6.643 -1.357 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.796 -5.595 -1.182 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.069 -7.949 -0.673 1.00 0.00 C ATOM 1024 CD1 ILE A 70 2.290 -4.272 -0.652 1.00 0.00 C ATOM 0 H ILE A 70 0.696 -8.861 -2.932 1.00 0.00 H new ATOM 0 HA ILE A 70 1.035 -5.966 -3.298 1.00 0.00 H new ATOM 0 HB ILE A 70 0.787 -6.255 -0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.552 -5.985 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.286 -5.430 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.272 -7.762 0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.246 -8.658 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.959 -8.363 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.124 -3.577 -0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.555 -3.860 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.826 -4.424 0.323 1.00 0.00 H new ATOM 1036 N SER A 71 3.315 -6.381 -4.259 1.00 0.00 N ATOM 1037 CA SER A 71 4.552 -6.670 -4.976 1.00 0.00 C ATOM 1038 C SER A 71 5.398 -5.412 -5.139 1.00 0.00 C ATOM 1039 O SER A 71 5.071 -4.356 -4.596 1.00 0.00 O ATOM 1040 CB SER A 71 4.241 -7.271 -6.347 1.00 0.00 C ATOM 1041 OG SER A 71 3.921 -6.261 -7.287 1.00 0.00 O ATOM 0 H SER A 71 2.989 -5.419 -4.349 1.00 0.00 H new ATOM 0 HA SER A 71 5.121 -7.392 -4.390 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.100 -7.842 -6.700 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.408 -7.969 -6.261 1.00 0.00 H new ATOM 0 HG SER A 71 3.728 -6.672 -8.156 1.00 0.00 H new ATOM 1047 N ARG A 72 6.488 -5.532 -5.890 1.00 0.00 N ATOM 1048 CA ARG A 72 7.384 -4.406 -6.127 1.00 0.00 C ATOM 1049 C ARG A 72 7.861 -4.383 -7.576 1.00 0.00 C ATOM 1050 O ARG A 72 7.797 -5.393 -8.277 1.00 0.00 O ATOM 1051 CB ARG A 72 8.586 -4.476 -5.182 1.00 0.00 C ATOM 1052 CG ARG A 72 9.169 -5.874 -5.038 1.00 0.00 C ATOM 1053 CD ARG A 72 10.603 -5.938 -5.540 1.00 0.00 C ATOM 1054 NE ARG A 72 11.489 -5.059 -4.780 1.00 0.00 N ATOM 1055 CZ ARG A 72 11.872 -5.296 -3.528 1.00 0.00 C ATOM 1056 NH1 ARG A 72 11.443 -6.378 -2.890 1.00 0.00 N ATOM 1057 NH2 ARG A 72 12.685 -4.450 -2.911 1.00 0.00 N ATOM 0 H ARG A 72 6.772 -6.399 -6.346 1.00 0.00 H new ATOM 0 HA ARG A 72 6.831 -3.487 -5.933 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.363 -3.803 -5.546 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.286 -4.114 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.136 -6.176 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.556 -6.583 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.965 -6.964 -5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.631 -5.658 -6.593 1.00 0.00 H new ATOM 0 HE ARG A 72 11.834 -4.214 -5.236 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.817 -7.032 -3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.739 -6.555 -1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.017 -3.617 -3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.978 -4.632 -1.951 1.00 0.00 H new ATOM 1071 N ASP A 73 8.336 -3.223 -8.020 1.00 0.00 N ATOM 1072 CA ASP A 73 8.821 -3.067 -9.387 1.00 0.00 C ATOM 1073 C ASP A 73 10.313 -3.369 -9.478 1.00 0.00 C ATOM 1074 O ASP A 73 10.762 -4.062 -10.390 1.00 0.00 O ATOM 1075 CB ASP A 73 8.549 -1.647 -9.887 1.00 0.00 C ATOM 1076 CG ASP A 73 8.406 -1.582 -11.395 1.00 0.00 C ATOM 1077 OD1 ASP A 73 8.110 -2.629 -12.008 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.590 -0.485 -11.962 1.00 0.00 O ATOM 0 H ASP A 73 8.395 -2.377 -7.453 1.00 0.00 H new ATOM 0 HA ASP A 73 8.286 -3.779 -10.016 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.638 -1.269 -9.422 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.362 -0.992 -9.573 1.00 0.00 H new ATOM 1083 N ASN A 74 11.078 -2.839 -8.528 1.00 0.00 N ATOM 1084 CA ASN A 74 12.523 -3.046 -8.500 1.00 0.00 C ATOM 1085 C ASN A 74 13.211 -2.305 -9.647 1.00 0.00 C ATOM 1086 O ASN A 74 14.393 -2.523 -9.916 1.00 0.00 O ATOM 1087 CB ASN A 74 12.851 -4.540 -8.574 1.00 0.00 C ATOM 1088 CG ASN A 74 14.160 -4.879 -7.887 1.00 0.00 C ATOM 1089 OD1 ASN A 74 15.047 -5.491 -8.482 1.00 0.00 O ATOM 1090 ND2 ASN A 74 14.285 -4.483 -6.626 1.00 0.00 N ATOM 0 H ASN A 74 10.721 -2.262 -7.766 1.00 0.00 H new ATOM 0 HA ASN A 74 12.898 -2.644 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 74 12.044 -5.110 -8.113 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.902 -4.847 -9.619 1.00 0.00 H new ATOM 0 HD21 ASN A 74 15.142 -4.684 -6.111 1.00 0.00 H new ATOM 0 HD22 ASN A 74 13.524 -3.978 -6.172 1.00 0.00 H new ATOM 1097 N ALA A 75 12.470 -1.425 -10.317 1.00 0.00 N ATOM 1098 CA ALA A 75 13.014 -0.653 -11.425 1.00 0.00 C ATOM 1099 C ALA A 75 13.163 0.814 -11.040 1.00 0.00 C ATOM 1100 O ALA A 75 14.103 1.487 -11.465 1.00 0.00 O ATOM 1101 CB ALA A 75 12.126 -0.794 -12.653 1.00 0.00 C ATOM 0 H ALA A 75 11.490 -1.231 -10.109 1.00 0.00 H new ATOM 0 HA ALA A 75 14.003 -1.044 -11.663 1.00 0.00 H new ATOM 0 HB1 ALA A 75 12.545 -0.212 -13.474 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.071 -1.843 -12.944 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.125 -0.428 -12.422 1.00 0.00 H new ATOM 1107 N LYS A 76 12.231 1.300 -10.228 1.00 0.00 N ATOM 1108 CA LYS A 76 12.254 2.686 -9.774 1.00 0.00 C ATOM 1109 C LYS A 76 11.794 2.784 -8.323 1.00 0.00 C ATOM 1110 O LYS A 76 11.271 3.813 -7.895 1.00 0.00 O ATOM 1111 CB LYS A 76 11.360 3.556 -10.662 1.00 0.00 C ATOM 1112 CG LYS A 76 11.474 3.238 -12.144 1.00 0.00 C ATOM 1113 CD LYS A 76 10.322 3.839 -12.933 1.00 0.00 C ATOM 1114 CE LYS A 76 10.770 4.301 -14.310 1.00 0.00 C ATOM 1115 NZ LYS A 76 11.019 5.768 -14.350 1.00 0.00 N ATOM 0 H LYS A 76 11.448 0.753 -9.870 1.00 0.00 H new ATOM 0 HA LYS A 76 13.280 3.048 -9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.323 3.431 -10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.616 4.604 -10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.419 3.622 -12.528 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.488 2.157 -12.285 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.527 3.101 -13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.904 4.682 -12.383 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.679 3.771 -14.593 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.008 4.042 -15.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.323 6.043 -15.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.145 6.275 -14.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.764 6.012 -13.667 1.00 0.00 H new ATOM 1129 N LYS A 77 11.988 1.703 -7.570 1.00 0.00 N ATOM 1130 CA LYS A 77 11.588 1.667 -6.169 1.00 0.00 C ATOM 1131 C LYS A 77 10.087 1.903 -6.031 1.00 0.00 C ATOM 1132 O LYS A 77 9.649 2.774 -5.279 1.00 0.00 O ATOM 1133 CB LYS A 77 12.362 2.716 -5.368 1.00 0.00 C ATOM 1134 CG LYS A 77 13.861 2.463 -5.325 1.00 0.00 C ATOM 1135 CD LYS A 77 14.594 3.283 -6.373 1.00 0.00 C ATOM 1136 CE LYS A 77 16.066 3.441 -6.027 1.00 0.00 C ATOM 1137 NZ LYS A 77 16.261 3.886 -4.619 1.00 0.00 N ATOM 0 H LYS A 77 12.419 0.843 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 77 11.820 0.679 -5.772 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.180 3.699 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.976 2.740 -4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 77 14.244 2.710 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.057 1.403 -5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.497 2.802 -7.346 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.131 4.266 -6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 77 16.579 2.492 -6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.522 4.164 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.073 4.533 -4.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.406 4.377 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.440 3.058 -4.015 1.00 0.00 H new ATOM 1151 N THR A 78 9.303 1.123 -6.769 1.00 0.00 N ATOM 1152 CA THR A 78 7.850 1.247 -6.737 1.00 0.00 C ATOM 1153 C THR A 78 7.203 -0.020 -6.188 1.00 0.00 C ATOM 1154 O THR A 78 7.745 -1.117 -6.320 1.00 0.00 O ATOM 1155 CB THR A 78 7.316 1.541 -8.142 1.00 0.00 C ATOM 1156 OG1 THR A 78 7.720 2.829 -8.572 1.00 0.00 O ATOM 1157 CG2 THR A 78 5.805 1.478 -8.245 1.00 0.00 C ATOM 0 H THR A 78 9.650 0.398 -7.397 1.00 0.00 H new ATOM 0 HA THR A 78 7.595 2.074 -6.075 1.00 0.00 H new ATOM 0 HB THR A 78 7.736 0.759 -8.774 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.371 2.998 -9.472 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.501 1.697 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.463 0.480 -7.970 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.363 2.211 -7.570 1.00 0.00 H new ATOM 1165 N VAL A 79 6.030 0.142 -5.585 1.00 0.00 N ATOM 1166 CA VAL A 79 5.291 -0.982 -5.028 1.00 0.00 C ATOM 1167 C VAL A 79 3.959 -1.149 -5.743 1.00 0.00 C ATOM 1168 O VAL A 79 3.321 -0.165 -6.116 1.00 0.00 O ATOM 1169 CB VAL A 79 5.033 -0.805 -3.522 1.00 0.00 C ATOM 1170 CG1 VAL A 79 4.224 0.454 -3.257 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.334 -2.029 -2.948 1.00 0.00 C ATOM 0 H VAL A 79 5.570 1.045 -5.470 1.00 0.00 H new ATOM 0 HA VAL A 79 5.904 -1.871 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 79 5.996 -0.699 -3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.054 0.558 -2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.772 1.322 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.266 0.386 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.161 -1.883 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.379 -2.173 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.960 -2.909 -3.097 1.00 0.00 H new ATOM 1181 N TYR A 80 3.545 -2.394 -5.930 1.00 0.00 N ATOM 1182 CA TYR A 80 2.286 -2.681 -6.603 1.00 0.00 C ATOM 1183 C TYR A 80 1.411 -3.590 -5.751 1.00 0.00 C ATOM 1184 O TYR A 80 1.713 -4.770 -5.572 1.00 0.00 O ATOM 1185 CB TYR A 80 2.547 -3.332 -7.961 1.00 0.00 C ATOM 1186 CG TYR A 80 3.455 -2.532 -8.855 1.00 0.00 C ATOM 1187 CD1 TYR A 80 3.111 -1.249 -9.255 1.00 0.00 C ATOM 1188 CD2 TYR A 80 4.653 -3.065 -9.305 1.00 0.00 C ATOM 1189 CE1 TYR A 80 3.939 -0.519 -10.080 1.00 0.00 C ATOM 1190 CE2 TYR A 80 5.485 -2.342 -10.130 1.00 0.00 C ATOM 1191 CZ TYR A 80 5.123 -1.071 -10.514 1.00 0.00 C ATOM 1192 OH TYR A 80 5.952 -0.345 -11.338 1.00 0.00 O ATOM 0 H TYR A 80 4.061 -3.220 -5.626 1.00 0.00 H new ATOM 0 HA TYR A 80 1.760 -1.738 -6.755 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.985 -4.317 -7.803 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.595 -3.484 -8.469 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.182 -0.816 -8.915 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.938 -4.062 -9.004 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.661 0.479 -10.384 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.415 -2.769 -10.473 1.00 0.00 H new ATOM 0 HH TYR A 80 5.847 0.611 -11.148 1.00 0.00 H new ATOM 1202 N LEU A 81 0.322 -3.036 -5.229 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.597 -3.802 -4.399 1.00 0.00 C ATOM 1204 C LEU A 81 -1.936 -3.968 -5.111 1.00 0.00 C ATOM 1205 O LEU A 81 -2.667 -2.999 -5.325 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.753 -3.132 -3.020 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.173 -2.721 -2.601 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.364 -2.922 -1.105 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.435 -1.272 -2.980 1.00 0.00 C ATOM 0 H LEU A 81 0.055 -2.061 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.190 -4.799 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.361 -3.814 -2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.124 -2.242 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.888 -3.353 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.375 -2.626 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.211 -3.972 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.643 -2.312 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.445 -0.994 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.715 -0.628 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.334 -1.154 -4.059 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.239 -5.206 -5.491 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.472 -5.517 -6.193 1.00 0.00 C ATOM 1223 C GLN A 82 -4.552 -5.993 -5.229 1.00 0.00 C ATOM 1224 O GLN A 82 -4.562 -7.151 -4.813 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.205 -6.589 -7.240 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.057 -6.449 -8.490 1.00 0.00 C ATOM 1227 CD GLN A 82 -4.921 -7.668 -8.748 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -6.080 -7.721 -8.336 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -4.359 -8.656 -9.434 1.00 0.00 N ATOM 0 H GLN A 82 -1.639 -6.013 -5.321 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.829 -4.608 -6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.153 -6.554 -7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.384 -7.569 -6.797 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.695 -5.570 -8.394 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.409 -6.280 -9.350 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.395 -8.569 -9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.891 -9.502 -9.639 1.00 0.00 H new ATOM 1238 N MET A 83 -5.461 -5.092 -4.880 1.00 0.00 N ATOM 1239 CA MET A 83 -6.549 -5.416 -3.969 1.00 0.00 C ATOM 1240 C MET A 83 -7.685 -6.115 -4.708 1.00 0.00 C ATOM 1241 O MET A 83 -8.595 -5.466 -5.226 1.00 0.00 O ATOM 1242 CB MET A 83 -7.063 -4.144 -3.296 1.00 0.00 C ATOM 1243 CG MET A 83 -5.959 -3.262 -2.750 1.00 0.00 C ATOM 1244 SD MET A 83 -6.363 -1.506 -2.831 1.00 0.00 S ATOM 1245 CE MET A 83 -8.066 -1.522 -2.277 1.00 0.00 C ATOM 0 H MET A 83 -5.466 -4.129 -5.215 1.00 0.00 H new ATOM 0 HA MET A 83 -6.169 -6.095 -3.206 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.651 -3.574 -4.015 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.734 -4.419 -2.482 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.759 -3.537 -1.714 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.043 -3.446 -3.311 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.258 -0.640 -1.667 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.730 -1.517 -3.141 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.248 -2.419 -1.685 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.623 -7.442 -4.758 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.640 -8.233 -5.435 1.00 0.00 C ATOM 1257 C ASN A 84 -9.832 -8.483 -4.518 1.00 0.00 C ATOM 1258 O ASN A 84 -9.823 -8.088 -3.352 1.00 0.00 O ATOM 1259 CB ASN A 84 -8.062 -9.572 -5.909 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.544 -9.628 -5.864 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -5.933 -9.391 -4.822 1.00 0.00 O ATOM 1262 ND2 ASN A 84 -5.929 -9.943 -6.998 1.00 0.00 N ATOM 0 H ASN A 84 -6.875 -7.992 -4.335 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.977 -7.667 -6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.466 -10.373 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.394 -9.761 -6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.911 -9.996 -7.028 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.475 -10.132 -7.839 1.00 0.00 H new ATOM 1269 N SER A 85 -10.853 -9.149 -5.057 1.00 0.00 N ATOM 1270 CA SER A 85 -12.064 -9.471 -4.302 1.00 0.00 C ATOM 1271 C SER A 85 -12.455 -8.339 -3.353 1.00 0.00 C ATOM 1272 O SER A 85 -12.747 -8.570 -2.180 1.00 0.00 O ATOM 1273 CB SER A 85 -11.858 -10.765 -3.517 1.00 0.00 C ATOM 1274 OG SER A 85 -13.079 -11.467 -3.356 1.00 0.00 O ATOM 0 H SER A 85 -10.865 -9.479 -6.022 1.00 0.00 H new ATOM 0 HA SER A 85 -12.878 -9.602 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.138 -11.397 -4.036 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.435 -10.537 -2.539 1.00 0.00 H new ATOM 0 HG SER A 85 -12.918 -12.292 -2.852 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.452 -7.115 -3.870 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.800 -5.948 -3.070 1.00 0.00 C ATOM 1282 C LEU A 86 -14.198 -6.087 -2.477 1.00 0.00 C ATOM 1283 O LEU A 86 -14.977 -6.947 -2.885 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.710 -4.676 -3.917 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.754 -3.610 -3.377 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.397 -3.719 -4.056 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -12.339 -2.219 -3.571 1.00 0.00 C ATOM 0 H LEU A 86 -12.212 -6.906 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.087 -5.878 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.395 -4.949 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.706 -4.241 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.619 -3.778 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.730 -2.954 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.973 -4.705 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.515 -3.577 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.645 -1.475 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.505 -2.039 -4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -13.287 -2.145 -3.038 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.500 -5.234 -1.507 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.797 -5.253 -0.843 1.00 0.00 C ATOM 1301 C LYS A 87 -16.238 -3.837 -0.475 1.00 0.00 C ATOM 1302 O LYS A 87 -15.432 -2.907 -0.488 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.726 -6.126 0.412 1.00 0.00 C ATOM 1304 CG LYS A 87 -15.801 -7.616 0.120 1.00 0.00 C ATOM 1305 CD LYS A 87 -17.036 -7.965 -0.694 1.00 0.00 C ATOM 1306 CE LYS A 87 -17.258 -9.468 -0.755 1.00 0.00 C ATOM 1307 NZ LYS A 87 -17.707 -9.909 -2.104 1.00 0.00 N ATOM 0 H LYS A 87 -13.862 -4.517 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.532 -5.672 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.796 -5.914 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.542 -5.854 1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.908 -7.927 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.814 -8.171 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.910 -7.485 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.930 -7.571 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.333 -9.982 -0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.003 -9.755 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.847 -10.940 -2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.603 -9.438 -2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.985 -9.658 -2.809 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.530 -3.651 -0.144 1.00 0.00 N ATOM 1322 CA PRO A 88 -18.067 -2.334 0.224 1.00 0.00 C ATOM 1323 C PRO A 88 -17.553 -1.829 1.570 1.00 0.00 C ATOM 1324 O PRO A 88 -17.944 -0.756 2.029 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.578 -2.569 0.283 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.723 -4.021 0.576 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.569 -4.699 -0.109 1.00 0.00 C ATOM 0 HA PRO A 88 -17.763 -1.568 -0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.044 -1.960 1.058 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.057 -2.305 -0.660 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -19.703 -4.206 1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.675 -4.401 0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.235 -5.578 0.442 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.837 -5.033 -1.111 1.00 0.00 H new ATOM 1335 N GLU A 89 -16.676 -2.602 2.194 1.00 0.00 N ATOM 1336 CA GLU A 89 -16.106 -2.228 3.483 1.00 0.00 C ATOM 1337 C GLU A 89 -14.667 -1.733 3.330 1.00 0.00 C ATOM 1338 O GLU A 89 -14.023 -1.367 4.313 1.00 0.00 O ATOM 1339 CB GLU A 89 -16.148 -3.418 4.444 1.00 0.00 C ATOM 1340 CG GLU A 89 -17.488 -3.593 5.139 1.00 0.00 C ATOM 1341 CD GLU A 89 -17.372 -4.351 6.447 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -16.903 -3.755 7.439 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -17.751 -5.541 6.479 1.00 0.00 O ATOM 0 H GLU A 89 -16.342 -3.494 1.829 1.00 0.00 H new ATOM 0 HA GLU A 89 -16.705 -1.414 3.891 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.913 -4.328 3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.371 -3.293 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.925 -2.613 5.329 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.171 -4.123 4.475 1.00 0.00 H new ATOM 1350 N ASP A 90 -14.165 -1.725 2.095 1.00 0.00 N ATOM 1351 CA ASP A 90 -12.805 -1.276 1.827 1.00 0.00 C ATOM 1352 C ASP A 90 -12.759 0.226 1.541 1.00 0.00 C ATOM 1353 O ASP A 90 -11.682 0.817 1.476 1.00 0.00 O ATOM 1354 CB ASP A 90 -12.219 -2.049 0.644 1.00 0.00 C ATOM 1355 CG ASP A 90 -11.623 -3.379 1.060 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -10.804 -3.394 2.004 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -11.973 -4.406 0.441 1.00 0.00 O ATOM 0 H ASP A 90 -14.681 -2.024 1.268 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.208 -1.469 2.718 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.000 -2.220 -0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.450 -1.444 0.163 1.00 0.00 H new ATOM 1362 N THR A 91 -13.930 0.841 1.374 1.00 0.00 N ATOM 1363 CA THR A 91 -14.017 2.266 1.100 1.00 0.00 C ATOM 1364 C THR A 91 -13.190 3.071 2.100 1.00 0.00 C ATOM 1365 O THR A 91 -13.615 3.292 3.234 1.00 0.00 O ATOM 1366 CB THR A 91 -15.481 2.690 1.152 1.00 0.00 C ATOM 1367 OG1 THR A 91 -16.224 2.021 0.150 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.692 4.178 0.971 1.00 0.00 C ATOM 0 H THR A 91 -14.832 0.368 1.425 1.00 0.00 H new ATOM 0 HA THR A 91 -13.612 2.464 0.108 1.00 0.00 H new ATOM 0 HB THR A 91 -15.824 2.421 2.151 1.00 0.00 H new ATOM 0 HG1 THR A 91 -17.162 2.301 0.196 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.757 4.403 1.020 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.170 4.718 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.300 4.486 0.001 1.00 0.00 H new ATOM 1376 N ALA A 92 -12.005 3.504 1.674 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.127 4.281 2.543 1.00 0.00 C ATOM 1378 C ALA A 92 -9.948 4.863 1.771 1.00 0.00 C ATOM 1379 O ALA A 92 -9.714 4.509 0.615 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.627 3.417 3.692 1.00 0.00 C ATOM 0 H ALA A 92 -11.634 3.331 0.740 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.706 5.113 2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.973 4.008 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.476 3.057 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.073 2.567 3.294 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.210 5.761 2.418 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.060 6.395 1.798 1.00 0.00 C ATOM 1388 C VAL A 93 -6.819 5.508 1.893 1.00 0.00 C ATOM 1389 O VAL A 93 -6.236 5.344 2.963 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.786 7.771 2.440 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -7.135 7.631 3.809 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -6.934 8.634 1.521 1.00 0.00 C ATOM 0 H VAL A 93 -9.392 6.064 3.375 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.290 6.541 0.743 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.747 8.265 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.957 8.620 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.795 7.069 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.186 7.104 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.753 9.600 1.993 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.982 8.137 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.456 8.784 0.576 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.426 4.930 0.763 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.270 4.061 0.713 1.00 0.00 C ATOM 1404 C TYR A 94 -3.996 4.874 0.513 1.00 0.00 C ATOM 1405 O TYR A 94 -3.735 5.375 -0.581 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.447 3.061 -0.423 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.190 1.808 -0.017 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.564 1.833 0.190 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.522 0.603 0.160 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.251 0.693 0.562 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -6.202 -0.542 0.532 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.567 -0.491 0.732 1.00 0.00 C ATOM 1413 OH TYR A 94 -8.249 -1.628 1.102 1.00 0.00 O ATOM 0 H TYR A 94 -6.899 5.053 -0.133 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.181 3.525 1.658 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.984 3.543 -1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.466 2.783 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.104 2.759 0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.454 0.560 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.319 0.730 0.719 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.668 -1.471 0.665 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.165 -1.588 0.755 1.00 0.00 H new ATOM 1423 N THR A 95 -3.211 5.009 1.575 1.00 0.00 N ATOM 1424 CA THR A 95 -1.969 5.772 1.511 1.00 0.00 C ATOM 1425 C THR A 95 -0.756 4.855 1.590 1.00 0.00 C ATOM 1426 O THR A 95 -0.732 3.910 2.373 1.00 0.00 O ATOM 1427 CB THR A 95 -1.919 6.800 2.643 1.00 0.00 C ATOM 1428 OG1 THR A 95 -3.115 7.557 2.686 1.00 0.00 O ATOM 1429 CG2 THR A 95 -0.765 7.771 2.520 1.00 0.00 C ATOM 0 H THR A 95 -3.411 4.602 2.489 1.00 0.00 H new ATOM 0 HA THR A 95 -1.944 6.292 0.553 1.00 0.00 H new ATOM 0 HB THR A 95 -1.787 6.218 3.555 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.902 8.494 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 95 -0.789 8.472 3.354 1.00 0.00 H new ATOM 0 HG22 THR A 95 0.176 7.221 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.850 8.320 1.582 1.00 0.00 H new ATOM 1437 N CYS A 96 0.254 5.143 0.776 1.00 0.00 N ATOM 1438 CA CYS A 96 1.470 4.342 0.763 1.00 0.00 C ATOM 1439 C CYS A 96 2.556 4.991 1.615 1.00 0.00 C ATOM 1440 O CYS A 96 2.695 6.214 1.639 1.00 0.00 O ATOM 1441 CB CYS A 96 1.969 4.145 -0.672 1.00 0.00 C ATOM 1442 SG CYS A 96 2.666 5.644 -1.441 1.00 0.00 S ATOM 0 H CYS A 96 0.254 5.923 0.119 1.00 0.00 H new ATOM 0 HA CYS A 96 1.236 3.366 1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 96 2.729 3.363 -0.675 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.142 3.788 -1.285 1.00 0.00 H new ATOM 1447 N GLY A 97 3.323 4.162 2.314 1.00 0.00 N ATOM 1448 CA GLY A 97 4.386 4.668 3.158 1.00 0.00 C ATOM 1449 C GLY A 97 5.615 3.784 3.126 1.00 0.00 C ATOM 1450 O GLY A 97 5.620 2.738 2.477 1.00 0.00 O ATOM 0 H GLY A 97 3.226 3.147 2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.656 5.673 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.026 4.748 4.184 1.00 0.00 H new ATOM 1454 N ALA A 98 6.661 4.205 3.827 1.00 0.00 N ATOM 1455 CA ALA A 98 7.902 3.445 3.876 1.00 0.00 C ATOM 1456 C ALA A 98 8.373 3.257 5.311 1.00 0.00 C ATOM 1457 O ALA A 98 7.865 3.896 6.233 1.00 0.00 O ATOM 1458 CB ALA A 98 8.974 4.131 3.045 1.00 0.00 C ATOM 0 H ALA A 98 6.674 5.069 4.369 1.00 0.00 H new ATOM 0 HA ALA A 98 7.713 2.458 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.896 3.552 3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.641 4.202 2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.154 5.132 3.438 1.00 0.00 H new ATOM 1464 N GLY A 99 9.342 2.369 5.493 1.00 0.00 N ATOM 1465 CA GLY A 99 9.863 2.102 6.821 1.00 0.00 C ATOM 1466 C GLY A 99 11.254 2.665 7.031 1.00 0.00 C ATOM 1467 O GLY A 99 11.865 3.196 6.104 1.00 0.00 O ATOM 0 H GLY A 99 9.777 1.829 4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.188 2.528 7.563 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.883 1.025 6.989 1.00 0.00 H new ATOM 1471 N GLU A 100 11.754 2.546 8.257 1.00 0.00 N ATOM 1472 CA GLU A 100 13.081 3.044 8.597 1.00 0.00 C ATOM 1473 C GLU A 100 13.521 2.521 9.960 1.00 0.00 C ATOM 1474 O GLU A 100 12.937 2.866 10.988 1.00 0.00 O ATOM 1475 CB GLU A 100 13.089 4.574 8.595 1.00 0.00 C ATOM 1476 CG GLU A 100 13.590 5.178 7.294 1.00 0.00 C ATOM 1477 CD GLU A 100 14.603 6.284 7.516 1.00 0.00 C ATOM 1478 OE1 GLU A 100 15.685 5.996 8.069 1.00 0.00 O ATOM 1479 OE2 GLU A 100 14.313 7.439 7.138 1.00 0.00 O ATOM 0 H GLU A 100 11.258 2.108 9.033 1.00 0.00 H new ATOM 0 HA GLU A 100 13.784 2.685 7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.079 4.935 8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.715 4.927 9.414 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.041 4.395 6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 100 12.744 5.573 6.732 1.00 0.00 H new ATOM 1486 N GLY A 101 14.553 1.683 9.961 1.00 0.00 N ATOM 1487 CA GLY A 101 15.054 1.122 11.198 1.00 0.00 C ATOM 1488 C GLY A 101 14.023 0.272 11.918 1.00 0.00 C ATOM 1489 O GLY A 101 14.176 -0.028 13.102 1.00 0.00 O ATOM 0 H GLY A 101 15.051 1.383 9.123 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.935 0.515 10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.374 1.931 11.855 1.00 0.00 H new ATOM 1493 N GLY A 102 12.969 -0.115 11.205 1.00 0.00 N ATOM 1494 CA GLY A 102 11.928 -0.930 11.802 1.00 0.00 C ATOM 1495 C GLY A 102 10.634 -0.164 12.001 1.00 0.00 C ATOM 1496 O GLY A 102 9.583 -0.759 12.238 1.00 0.00 O ATOM 0 H GLY A 102 12.818 0.122 10.224 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.740 -1.796 11.167 1.00 0.00 H new ATOM 0 HA3 GLY A 102 12.274 -1.309 12.764 1.00 0.00 H new ATOM 1500 N THR A 103 10.710 1.160 11.906 1.00 0.00 N ATOM 1501 CA THR A 103 9.546 2.009 12.078 1.00 0.00 C ATOM 1502 C THR A 103 8.963 2.396 10.720 1.00 0.00 C ATOM 1503 O THR A 103 9.478 1.993 9.678 1.00 0.00 O ATOM 1504 CB THR A 103 9.953 3.256 12.854 1.00 0.00 C ATOM 1505 OG1 THR A 103 10.824 2.917 13.919 1.00 0.00 O ATOM 1506 CG2 THR A 103 8.790 4.024 13.443 1.00 0.00 C ATOM 0 H THR A 103 11.573 1.666 11.709 1.00 0.00 H new ATOM 0 HA THR A 103 8.780 1.467 12.633 1.00 0.00 H new ATOM 0 HB THR A 103 10.443 3.895 12.119 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.077 3.729 14.406 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.164 4.896 13.979 1.00 0.00 H new ATOM 0 HG22 THR A 103 8.125 4.348 12.642 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.242 3.382 14.133 1.00 0.00 H new ATOM 1514 N TRP A 104 7.890 3.179 10.738 1.00 0.00 N ATOM 1515 CA TRP A 104 7.243 3.619 9.507 1.00 0.00 C ATOM 1516 C TRP A 104 6.786 5.070 9.622 1.00 0.00 C ATOM 1517 O TRP A 104 5.735 5.357 10.193 1.00 0.00 O ATOM 1518 CB TRP A 104 6.049 2.720 9.184 1.00 0.00 C ATOM 1519 CG TRP A 104 6.437 1.305 8.886 1.00 0.00 C ATOM 1520 CD1 TRP A 104 6.717 0.323 9.792 1.00 0.00 C ATOM 1521 CD2 TRP A 104 6.593 0.713 7.591 1.00 0.00 C ATOM 1522 NE1 TRP A 104 7.035 -0.844 9.140 1.00 0.00 N ATOM 1523 CE2 TRP A 104 6.966 -0.630 7.788 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.452 1.189 6.285 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 7.199 -1.501 6.726 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.684 0.324 5.232 1.00 0.00 C ATOM 1527 CH2 TRP A 104 7.054 -1.008 5.458 1.00 0.00 C ATOM 0 H TRP A 104 7.450 3.522 11.592 1.00 0.00 H new ATOM 0 HA TRP A 104 7.970 3.549 8.698 1.00 0.00 H new ATOM 0 HB2 TRP A 104 5.357 2.730 10.026 1.00 0.00 H new ATOM 0 HB3 TRP A 104 5.515 3.131 8.327 1.00 0.00 H new ATOM 0 HD1 TRP A 104 6.692 0.445 10.865 1.00 0.00 H new ATOM 0 HE1 TRP A 104 7.282 -1.726 9.589 1.00 0.00 H new ATOM 0 HE3 TRP A 104 6.167 2.214 6.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.484 -2.529 6.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.578 0.681 4.218 1.00 0.00 H new ATOM 0 HH2 TRP A 104 7.228 -1.659 4.614 1.00 0.00 H new ATOM 1538 N ASP A 105 7.585 5.980 9.074 1.00 0.00 N ATOM 1539 CA ASP A 105 7.264 7.402 9.116 1.00 0.00 C ATOM 1540 C ASP A 105 7.454 8.060 7.749 1.00 0.00 C ATOM 1541 O ASP A 105 7.419 9.284 7.632 1.00 0.00 O ATOM 1542 CB ASP A 105 8.128 8.103 10.156 1.00 0.00 C ATOM 1543 CG ASP A 105 7.778 9.570 10.312 1.00 0.00 C ATOM 1544 OD1 ASP A 105 6.810 9.875 11.040 1.00 0.00 O ATOM 1545 OD2 ASP A 105 8.472 10.413 9.706 1.00 0.00 O ATOM 0 H ASP A 105 8.458 5.758 8.596 1.00 0.00 H new ATOM 0 HA ASP A 105 6.214 7.499 9.392 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.012 7.602 11.117 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.177 8.012 9.873 1.00 0.00 H new ATOM 1550 N SER A 106 7.654 7.244 6.717 1.00 0.00 N ATOM 1551 CA SER A 106 7.847 7.755 5.368 1.00 0.00 C ATOM 1552 C SER A 106 6.573 7.599 4.544 1.00 0.00 C ATOM 1553 O SER A 106 6.545 6.891 3.537 1.00 0.00 O ATOM 1554 CB SER A 106 9.000 7.022 4.697 1.00 0.00 C ATOM 1555 OG SER A 106 10.146 7.849 4.596 1.00 0.00 O ATOM 0 H SER A 106 7.686 6.227 6.792 1.00 0.00 H new ATOM 0 HA SER A 106 8.086 8.817 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.245 6.126 5.267 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.696 6.695 3.703 1.00 0.00 H new ATOM 0 HG SER A 106 10.871 7.352 4.163 1.00 0.00 H new ATOM 1561 N TRP A 107 5.522 8.264 4.989 1.00 0.00 N ATOM 1562 CA TRP A 107 4.232 8.212 4.312 1.00 0.00 C ATOM 1563 C TRP A 107 4.291 8.917 2.962 1.00 0.00 C ATOM 1564 O TRP A 107 5.228 9.664 2.678 1.00 0.00 O ATOM 1565 CB TRP A 107 3.149 8.854 5.180 1.00 0.00 C ATOM 1566 CG TRP A 107 3.153 8.365 6.595 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.928 8.826 7.617 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.342 7.321 7.143 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.652 8.131 8.770 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.681 7.201 8.504 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.364 6.475 6.615 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.074 6.269 9.343 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 0.762 5.551 7.448 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.118 5.455 8.798 1.00 0.00 C ATOM 0 H TRP A 107 5.534 8.852 5.823 1.00 0.00 H new ATOM 0 HA TRP A 107 3.986 7.163 4.145 1.00 0.00 H new ATOM 0 HB2 TRP A 107 3.285 9.935 5.177 1.00 0.00 H new ATOM 0 HB3 TRP A 107 2.173 8.654 4.737 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.653 9.622 7.533 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.097 8.282 9.675 1.00 0.00 H new ATOM 0 HE3 TRP A 107 1.083 6.542 5.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.348 6.192 10.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 0.004 4.892 7.050 1.00 0.00 H new ATOM 0 HH2 TRP A 107 0.628 4.723 9.423 1.00 0.00 H new ATOM 1585 N GLY A 108 3.282 8.673 2.134 1.00 0.00 N ATOM 1586 CA GLY A 108 3.229 9.291 0.822 1.00 0.00 C ATOM 1587 C GLY A 108 2.168 10.370 0.731 1.00 0.00 C ATOM 1588 O GLY A 108 2.196 11.341 1.486 1.00 0.00 O ATOM 0 H GLY A 108 2.498 8.057 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 108 4.202 9.722 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.030 8.526 0.071 1.00 0.00 H new ATOM 1592 N GLN A 109 1.230 10.200 -0.196 1.00 0.00 N ATOM 1593 CA GLN A 109 0.157 11.167 -0.382 1.00 0.00 C ATOM 1594 C GLN A 109 -1.190 10.570 0.011 1.00 0.00 C ATOM 1595 O GLN A 109 -1.800 10.983 0.997 1.00 0.00 O ATOM 1596 CB GLN A 109 0.114 11.642 -1.835 1.00 0.00 C ATOM 1597 CG GLN A 109 -0.732 12.888 -2.043 1.00 0.00 C ATOM 1598 CD GLN A 109 0.105 14.121 -2.320 1.00 0.00 C ATOM 1599 OE1 GLN A 109 0.290 14.969 -1.447 1.00 0.00 O ATOM 1600 NE2 GLN A 109 0.618 14.227 -3.541 1.00 0.00 N ATOM 0 H GLN A 109 1.193 9.401 -0.829 1.00 0.00 H new ATOM 0 HA GLN A 109 0.357 12.021 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 109 1.131 11.843 -2.173 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.277 10.839 -2.460 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.416 12.723 -2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.343 13.060 -1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 109 0.439 13.500 -4.234 1.00 0.00 H new ATOM 0 HE22 GLN A 109 1.191 15.035 -3.785 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.649 9.594 -0.766 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.920 8.955 -0.481 1.00 0.00 C ATOM 1611 C GLY A 110 -3.782 8.792 -1.717 1.00 0.00 C ATOM 1612 O GLY A 110 -3.684 9.576 -2.661 1.00 0.00 O ATOM 0 H GLY A 110 -1.163 9.234 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.739 7.976 -0.038 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.461 9.545 0.259 1.00 0.00 H new ATOM 1616 N THR A 111 -4.632 7.771 -1.708 1.00 0.00 N ATOM 1617 CA THR A 111 -5.522 7.501 -2.831 1.00 0.00 C ATOM 1618 C THR A 111 -6.790 6.802 -2.353 1.00 0.00 C ATOM 1619 O THR A 111 -6.759 5.633 -1.968 1.00 0.00 O ATOM 1620 CB THR A 111 -4.813 6.643 -3.881 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.738 6.149 -4.833 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.082 5.457 -3.291 1.00 0.00 C ATOM 0 H THR A 111 -4.723 7.115 -0.933 1.00 0.00 H new ATOM 0 HA THR A 111 -5.798 8.453 -3.285 1.00 0.00 H new ATOM 0 HB THR A 111 -4.082 7.303 -4.347 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.700 6.700 -5.643 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.602 4.892 -4.090 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.325 5.808 -2.589 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.792 4.816 -2.768 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.904 7.527 -2.369 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.179 6.977 -1.927 1.00 0.00 C ATOM 1632 C GLN A 112 -9.566 5.756 -2.752 1.00 0.00 C ATOM 1633 O GLN A 112 -9.361 5.715 -3.965 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.274 8.053 -1.991 1.00 0.00 C ATOM 1635 CG GLN A 112 -11.700 7.523 -2.111 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.373 7.374 -0.765 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -11.624 6.891 0.215 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.553 7.690 -0.608 1.00 0.00 N flip ATOM 0 H GLN A 112 -7.949 8.496 -2.683 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.072 6.654 -0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -10.207 8.670 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.072 8.703 -2.842 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.285 8.199 -2.734 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -11.685 6.557 -2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.091 8.058 -1.392 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -13.992 7.584 0.306 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.132 4.767 -2.073 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.561 3.539 -2.715 1.00 0.00 C ATOM 1649 C VAL A 113 -12.052 3.318 -2.482 1.00 0.00 C ATOM 1650 O VAL A 113 -12.444 2.590 -1.572 1.00 0.00 O ATOM 1651 CB VAL A 113 -9.766 2.343 -2.163 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.418 1.019 -2.545 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.325 2.395 -2.649 1.00 0.00 C ATOM 0 H VAL A 113 -10.304 4.796 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.376 3.624 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 113 -9.769 2.410 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -9.832 0.194 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.428 0.980 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.461 0.934 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.775 1.542 -2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.307 2.361 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.859 3.319 -2.307 1.00 0.00 H new ATOM 1663 N THR A 114 -12.875 3.961 -3.303 1.00 0.00 N ATOM 1664 CA THR A 114 -14.324 3.847 -3.183 1.00 0.00 C ATOM 1665 C THR A 114 -14.811 2.485 -3.667 1.00 0.00 C ATOM 1666 O THR A 114 -14.311 1.949 -4.656 1.00 0.00 O ATOM 1667 CB THR A 114 -15.006 4.961 -3.980 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.606 6.233 -3.503 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.518 4.904 -3.920 1.00 0.00 C ATOM 0 H THR A 114 -12.562 4.568 -4.061 1.00 0.00 H new ATOM 0 HA THR A 114 -14.586 3.946 -2.130 1.00 0.00 H new ATOM 0 HB THR A 114 -14.695 4.808 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.362 6.854 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 114 -16.936 5.722 -4.506 1.00 0.00 H new ATOM 0 HG22 THR A 114 -16.863 3.953 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 114 -16.845 4.996 -2.884 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.797 1.933 -2.964 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.361 0.641 -3.317 1.00 0.00 C ATOM 1679 C VAL A 115 -17.878 0.667 -3.168 1.00 0.00 C ATOM 1680 O VAL A 115 -18.452 1.670 -2.744 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.784 -0.496 -2.444 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.702 -1.790 -3.240 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.416 -0.120 -1.891 1.00 0.00 C ATOM 0 H VAL A 115 -16.221 2.366 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 115 -16.093 0.446 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.457 -0.650 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -15.293 -2.580 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.699 -2.074 -3.577 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -15.055 -1.645 -4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -14.033 -0.938 -1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.729 0.069 -2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.505 0.778 -1.280 1.00 0.00 H new ATOM 1693 N SER A 116 -18.518 -0.437 -3.517 1.00 0.00 N ATOM 1694 CA SER A 116 -19.970 -0.543 -3.424 1.00 0.00 C ATOM 1695 C SER A 116 -20.392 -1.972 -3.097 1.00 0.00 C ATOM 1696 O SER A 116 -19.556 -2.822 -2.791 1.00 0.00 O ATOM 1697 CB SER A 116 -20.621 -0.093 -4.733 1.00 0.00 C ATOM 1698 OG SER A 116 -20.644 -1.145 -5.682 1.00 0.00 O ATOM 0 H SER A 116 -18.056 -1.276 -3.868 1.00 0.00 H new ATOM 0 HA SER A 116 -20.305 0.109 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 116 -21.638 0.247 -4.538 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.074 0.757 -5.141 1.00 0.00 H new ATOM 0 HG SER A 116 -21.499 -1.134 -6.161 1.00 0.00 H new