USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 440 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 22 CYS SG : rot 90:sc= 0.645 USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0.82 USER MOD Set 2.1: A 9 THR OG1 : rot 180:sc= 0.0519 USER MOD Set 2.2: A 11 GLN : amide:sc= -0.0654 X(o=0.35,f=0.39) USER MOD Set 2.3: A 49 THR OG1 : rot 180:sc= 0.367 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.729 K(o=0.73,f=-0.052) USER MOD Single : A 12 MET CE :methyl 172:sc= -0.0796 (180deg=-0.153) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -153:sc= -0.182 (180deg=-0.588) USER MOD Single : A 24 SER OG : rot 180:sc= 0.00188 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00101) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00553 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 163:sc= 1.28 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0052 K(o=-0.0052,f=-1.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.223 USER MOD Single : A 61 THR OG1 : rot -130:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -6.667 -4.950 -13.291 1.00 0.00 N ATOM 14 CA LEU A 7 -5.613 -5.166 -12.302 1.00 0.00 C ATOM 15 C LEU A 7 -4.214 -5.273 -12.925 1.00 0.00 C ATOM 16 O LEU A 7 -4.026 -5.859 -13.995 1.00 0.00 O ATOM 17 CB LEU A 7 -5.959 -6.354 -11.373 1.00 0.00 C ATOM 18 CG LEU A 7 -5.705 -7.780 -11.921 1.00 0.00 C ATOM 19 CD1 LEU A 7 -5.849 -8.808 -10.791 1.00 0.00 C ATOM 20 CD2 LEU A 7 -6.667 -8.176 -13.046 1.00 0.00 C ATOM 0 HA LEU A 7 -5.570 -4.273 -11.678 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.388 -6.240 -10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.013 -6.278 -11.106 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.694 -7.771 -12.328 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.669 -9.809 -11.184 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.124 -8.590 -10.007 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.857 -8.756 -10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.435 -9.186 -13.385 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.692 -8.144 -12.676 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.560 -7.480 -13.878 1.00 0.00 H new ATOM 31 N LYS A 8 -3.238 -4.712 -12.213 1.00 0.00 N ATOM 32 CA LYS A 8 -1.811 -4.691 -12.553 1.00 0.00 C ATOM 33 C LYS A 8 -0.971 -4.449 -11.289 1.00 0.00 C ATOM 34 O LYS A 8 -1.436 -3.762 -10.369 1.00 0.00 O ATOM 35 CB LYS A 8 -1.533 -3.620 -13.633 1.00 0.00 C ATOM 36 CG LYS A 8 -1.764 -2.189 -13.121 1.00 0.00 C ATOM 37 CD LYS A 8 -1.520 -1.115 -14.183 1.00 0.00 C ATOM 38 CE LYS A 8 -1.550 0.255 -13.489 1.00 0.00 C ATOM 39 NZ LYS A 8 -1.333 1.368 -14.437 1.00 0.00 N ATOM 0 H LYS A 8 -3.430 -4.232 -11.334 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.526 -5.659 -12.965 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.504 -3.716 -13.978 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.176 -3.802 -14.494 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.788 -2.103 -12.757 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.107 -2.005 -12.271 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.559 -1.274 -14.671 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.284 -1.166 -14.959 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.511 0.387 -12.991 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.783 0.285 -12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.362 2.272 -13.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.405 1.259 -14.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.079 1.358 -15.161 1.00 0.00 H new ATOM 49 N THR A 9 0.255 -4.979 -11.243 1.00 0.00 N ATOM 50 CA THR A 9 1.203 -4.748 -10.145 1.00 0.00 C ATOM 51 C THR A 9 1.668 -3.295 -10.125 1.00 0.00 C ATOM 52 O THR A 9 1.658 -2.595 -11.139 1.00 0.00 O ATOM 53 CB THR A 9 2.357 -5.755 -10.187 1.00 0.00 C ATOM 54 OG1 THR A 9 3.017 -5.739 -8.942 1.00 0.00 O ATOM 55 CG2 THR A 9 3.397 -5.474 -11.269 1.00 0.00 C ATOM 0 H THR A 9 0.623 -5.587 -11.974 1.00 0.00 H new ATOM 0 HA THR A 9 0.690 -4.919 -9.198 1.00 0.00 H new ATOM 0 HB THR A 9 1.908 -6.721 -10.416 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.757 -6.381 -8.956 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.178 -6.233 -11.229 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.919 -5.497 -12.248 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.838 -4.491 -11.103 1.00 0.00 H new ATOM 63 N GLN A 10 2.063 -2.847 -8.943 1.00 0.00 N ATOM 64 CA GLN A 10 2.444 -1.485 -8.624 1.00 0.00 C ATOM 65 C GLN A 10 3.344 -1.520 -7.390 1.00 0.00 C ATOM 66 O GLN A 10 3.071 -2.234 -6.421 1.00 0.00 O ATOM 67 CB GLN A 10 1.180 -0.643 -8.369 1.00 0.00 C ATOM 68 CG GLN A 10 1.459 0.828 -8.027 1.00 0.00 C ATOM 69 CD GLN A 10 2.167 1.572 -9.155 1.00 0.00 C ATOM 70 OE1 GLN A 10 1.671 1.657 -10.271 1.00 0.00 O ATOM 71 NE2 GLN A 10 3.350 2.108 -8.937 1.00 0.00 N ATOM 0 H GLN A 10 2.129 -3.464 -8.134 1.00 0.00 H new ATOM 0 HA GLN A 10 2.987 -1.028 -9.451 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.546 -0.684 -9.254 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.616 -1.093 -7.552 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.518 1.329 -7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.070 0.877 -7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.776 2.045 -8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 10 3.840 2.586 -9.693 1.00 0.00 H new ATOM 78 N GLN A 11 4.416 -0.734 -7.433 1.00 0.00 N ATOM 79 CA GLN A 11 5.354 -0.544 -6.333 1.00 0.00 C ATOM 80 C GLN A 11 5.315 0.919 -5.873 1.00 0.00 C ATOM 81 O GLN A 11 5.135 1.831 -6.689 1.00 0.00 O ATOM 82 CB GLN A 11 6.772 -0.933 -6.795 1.00 0.00 C ATOM 83 CG GLN A 11 7.028 -2.450 -6.874 1.00 0.00 C ATOM 84 CD GLN A 11 6.205 -3.198 -7.927 1.00 0.00 C ATOM 85 OE1 GLN A 11 6.187 -2.857 -9.105 1.00 0.00 O ATOM 86 NE2 GLN A 11 5.497 -4.237 -7.547 1.00 0.00 N ATOM 0 H GLN A 11 4.663 -0.194 -8.263 1.00 0.00 H new ATOM 0 HA GLN A 11 5.074 -1.180 -5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.952 -0.496 -7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.497 -0.491 -6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.086 -2.613 -7.080 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.822 -2.888 -5.897 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.505 -4.529 -6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.940 -4.751 -8.229 1.00 0.00 H new ATOM 93 N MET A 12 5.528 1.151 -4.575 1.00 0.00 N ATOM 94 CA MET A 12 5.604 2.489 -3.976 1.00 0.00 C ATOM 95 C MET A 12 6.520 2.525 -2.750 1.00 0.00 C ATOM 96 O MET A 12 6.803 1.496 -2.126 1.00 0.00 O ATOM 97 CB MET A 12 4.202 3.034 -3.627 1.00 0.00 C ATOM 98 CG MET A 12 3.414 2.216 -2.593 1.00 0.00 C ATOM 99 SD MET A 12 2.328 0.953 -3.301 1.00 0.00 S ATOM 100 CE MET A 12 0.977 2.009 -3.888 1.00 0.00 C ATOM 0 H MET A 12 5.655 0.400 -3.896 1.00 0.00 H new ATOM 0 HA MET A 12 6.044 3.141 -4.730 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.310 4.052 -3.253 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.615 3.091 -4.544 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.120 1.733 -1.917 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.813 2.898 -1.991 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.281 1.414 -4.480 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.453 2.438 -3.034 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.384 2.811 -4.504 1.00 0.00 H new ATOM 108 N GLN A 13 6.942 3.735 -2.387 1.00 0.00 N ATOM 109 CA GLN A 13 7.557 4.017 -1.094 1.00 0.00 C ATOM 110 C GLN A 13 6.481 4.382 -0.059 1.00 0.00 C ATOM 111 O GLN A 13 5.378 4.799 -0.417 1.00 0.00 O ATOM 112 CB GLN A 13 8.602 5.138 -1.240 1.00 0.00 C ATOM 113 CG GLN A 13 9.894 4.646 -1.909 1.00 0.00 C ATOM 114 CD GLN A 13 10.793 5.804 -2.342 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.060 6.749 -1.603 1.00 0.00 O ATOM 116 NE2 GLN A 13 11.257 5.791 -3.571 1.00 0.00 N ATOM 0 H GLN A 13 6.865 4.555 -2.989 1.00 0.00 H new ATOM 0 HA GLN A 13 8.069 3.123 -0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.178 5.952 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.837 5.544 -0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.439 4.004 -1.217 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.643 4.038 -2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.040 5.010 -4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.835 6.562 -3.906 1.00 0.00 H new ATOM 123 N VAL A 14 6.823 4.230 1.220 1.00 0.00 N ATOM 124 CA VAL A 14 5.973 4.448 2.401 1.00 0.00 C ATOM 125 C VAL A 14 6.760 5.220 3.470 1.00 0.00 C ATOM 126 O VAL A 14 7.970 5.026 3.598 1.00 0.00 O ATOM 127 CB VAL A 14 5.435 3.097 2.947 1.00 0.00 C ATOM 128 CG1 VAL A 14 6.536 2.107 3.376 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.467 3.285 4.128 1.00 0.00 C ATOM 0 H VAL A 14 7.763 3.932 1.481 1.00 0.00 H new ATOM 0 HA VAL A 14 5.108 5.047 2.116 1.00 0.00 H new ATOM 0 HB VAL A 14 4.906 2.668 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.077 1.190 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.171 1.876 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.139 2.554 4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.120 2.311 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.981 3.796 4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.613 3.882 3.807 1.00 0.00 H new ATOM 139 N GLY A 15 6.065 6.054 4.259 1.00 0.00 N ATOM 140 CA GLY A 15 6.622 6.974 5.272 1.00 0.00 C ATOM 141 C GLY A 15 7.211 6.329 6.538 1.00 0.00 C ATOM 142 O GLY A 15 7.134 6.899 7.625 1.00 0.00 O ATOM 0 H GLY A 15 5.048 6.110 4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.402 7.570 4.799 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.834 7.664 5.576 1.00 0.00 H new ATOM 146 N GLY A 16 7.804 5.140 6.407 1.00 0.00 N ATOM 147 CA GLY A 16 8.653 4.507 7.421 1.00 0.00 C ATOM 148 C GLY A 16 7.889 3.631 8.404 1.00 0.00 C ATOM 149 O GLY A 16 7.986 3.838 9.615 1.00 0.00 O ATOM 0 H GLY A 16 7.704 4.572 5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.409 3.902 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.181 5.283 7.975 1.00 0.00 H new ATOM 153 N MET A 17 7.150 2.639 7.893 1.00 0.00 N ATOM 154 CA MET A 17 6.315 1.716 8.688 1.00 0.00 C ATOM 155 C MET A 17 7.102 0.726 9.578 1.00 0.00 C ATOM 156 O MET A 17 6.502 0.001 10.379 1.00 0.00 O ATOM 157 CB MET A 17 5.331 0.997 7.737 1.00 0.00 C ATOM 158 CG MET A 17 5.827 -0.346 7.173 1.00 0.00 C ATOM 159 SD MET A 17 7.434 -0.325 6.335 1.00 0.00 S ATOM 160 CE MET A 17 7.884 -2.062 6.598 1.00 0.00 C ATOM 0 H MET A 17 7.112 2.447 6.892 1.00 0.00 H new ATOM 0 HA MET A 17 5.766 2.318 9.412 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.396 0.826 8.270 1.00 0.00 H new ATOM 0 HB3 MET A 17 5.106 1.662 6.903 1.00 0.00 H new ATOM 0 HG2 MET A 17 5.879 -1.062 7.993 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.081 -0.718 6.471 1.00 0.00 H new ATOM 0 HE1 MET A 17 8.970 -2.159 6.606 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.482 -2.401 7.553 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.471 -2.671 5.794 1.00 0.00 H new ATOM 219 N CYS A 22 3.080 -2.235 11.427 1.00 0.00 N ATOM 220 CA CYS A 22 2.257 -1.726 10.340 1.00 0.00 C ATOM 221 C CYS A 22 2.411 -2.485 9.012 1.00 0.00 C ATOM 222 O CYS A 22 1.466 -2.491 8.226 1.00 0.00 O ATOM 223 CB CYS A 22 2.550 -0.226 10.229 1.00 0.00 C ATOM 224 SG CYS A 22 1.889 0.606 11.707 1.00 0.00 S ATOM 0 HA CYS A 22 1.205 -1.892 10.572 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.623 -0.055 10.147 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.093 0.183 9.328 1.00 0.00 H new ATOM 0 HG CYS A 22 2.801 0.636 12.633 1.00 0.00 H new ATOM 229 N ALA A 23 3.525 -3.186 8.778 1.00 0.00 N ATOM 230 CA ALA A 23 3.671 -4.114 7.656 1.00 0.00 C ATOM 231 C ALA A 23 2.570 -5.192 7.626 1.00 0.00 C ATOM 232 O ALA A 23 2.107 -5.548 6.543 1.00 0.00 O ATOM 233 CB ALA A 23 5.068 -4.738 7.739 1.00 0.00 C ATOM 0 H ALA A 23 4.356 -3.124 9.367 1.00 0.00 H new ATOM 0 HA ALA A 23 3.557 -3.563 6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.205 -5.436 6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.821 -3.953 7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.173 -5.270 8.684 1.00 0.00 H new ATOM 239 N SER A 24 2.102 -5.683 8.776 1.00 0.00 N ATOM 240 CA SER A 24 0.966 -6.619 8.840 1.00 0.00 C ATOM 241 C SER A 24 -0.371 -5.871 8.951 1.00 0.00 C ATOM 242 O SER A 24 -1.339 -6.252 8.302 1.00 0.00 O ATOM 243 CB SER A 24 1.151 -7.639 9.975 1.00 0.00 C ATOM 244 OG SER A 24 1.606 -7.055 11.184 1.00 0.00 O ATOM 0 H SER A 24 2.494 -5.447 9.688 1.00 0.00 H new ATOM 0 HA SER A 24 0.940 -7.178 7.905 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.203 -8.145 10.158 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.863 -8.401 9.657 1.00 0.00 H new ATOM 0 HG SER A 24 1.703 -7.751 11.867 1.00 0.00 H new ATOM 249 N SER A 25 -0.438 -4.749 9.673 1.00 0.00 N ATOM 250 CA SER A 25 -1.673 -3.956 9.819 1.00 0.00 C ATOM 251 C SER A 25 -2.160 -3.331 8.495 1.00 0.00 C ATOM 252 O SER A 25 -3.368 -3.163 8.315 1.00 0.00 O ATOM 253 CB SER A 25 -1.517 -2.875 10.904 1.00 0.00 C ATOM 254 OG SER A 25 -1.008 -3.424 12.116 1.00 0.00 O ATOM 0 H SER A 25 0.360 -4.360 10.175 1.00 0.00 H new ATOM 0 HA SER A 25 -2.444 -4.661 10.131 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.846 -2.093 10.547 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.482 -2.405 11.093 1.00 0.00 H new ATOM 0 HG SER A 25 -0.918 -2.713 12.785 1.00 0.00 H new ATOM 259 N ILE A 26 -1.257 -3.047 7.541 1.00 0.00 N ATOM 260 CA ILE A 26 -1.606 -2.800 6.128 1.00 0.00 C ATOM 261 C ILE A 26 -2.020 -4.118 5.458 1.00 0.00 C ATOM 262 O ILE A 26 -3.133 -4.212 4.944 1.00 0.00 O ATOM 263 CB ILE A 26 -0.444 -2.090 5.362 1.00 0.00 C ATOM 264 CG1 ILE A 26 -0.427 -0.547 5.502 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.465 -2.352 3.839 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.053 -0.016 6.882 1.00 0.00 C ATOM 0 H ILE A 26 -0.256 -2.981 7.728 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.455 -2.117 6.092 1.00 0.00 H new ATOM 0 HB ILE A 26 0.434 -2.527 5.838 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.275 -0.141 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.414 -0.165 5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.368 -1.830 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.375 -3.422 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.404 -1.989 3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.072 1.074 6.870 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.767 -0.383 7.619 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.948 -0.359 7.145 1.00 0.00 H new ATOM 277 N GLU A 27 -1.139 -5.124 5.423 1.00 0.00 N ATOM 278 CA GLU A 27 -1.275 -6.266 4.507 1.00 0.00 C ATOM 279 C GLU A 27 -2.478 -7.163 4.836 1.00 0.00 C ATOM 280 O GLU A 27 -3.112 -7.713 3.927 1.00 0.00 O ATOM 281 CB GLU A 27 0.036 -7.062 4.489 1.00 0.00 C ATOM 282 CG GLU A 27 0.162 -7.984 3.269 1.00 0.00 C ATOM 283 CD GLU A 27 1.495 -8.724 3.289 1.00 0.00 C ATOM 284 OE1 GLU A 27 2.556 -8.060 3.283 1.00 0.00 O ATOM 285 OE2 GLU A 27 1.507 -9.977 3.344 1.00 0.00 O ATOM 0 H GLU A 27 -0.316 -5.171 6.024 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.473 -5.872 3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.876 -6.368 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.104 -7.660 5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.658 -8.702 3.263 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.079 -7.398 2.354 1.00 0.00 H new ATOM 290 N ARG A 28 -2.839 -7.265 6.120 1.00 0.00 N ATOM 291 CA ARG A 28 -4.032 -7.983 6.582 1.00 0.00 C ATOM 292 C ARG A 28 -5.328 -7.423 5.970 1.00 0.00 C ATOM 293 O ARG A 28 -6.242 -8.194 5.668 1.00 0.00 O ATOM 294 CB ARG A 28 -4.042 -7.935 8.118 1.00 0.00 C ATOM 295 CG ARG A 28 -5.232 -8.677 8.732 1.00 0.00 C ATOM 296 CD ARG A 28 -5.149 -8.635 10.259 1.00 0.00 C ATOM 297 NE ARG A 28 -6.397 -9.134 10.848 1.00 0.00 N ATOM 298 CZ ARG A 28 -6.866 -8.846 12.052 1.00 0.00 C ATOM 299 NH1 ARG A 28 -6.189 -8.157 12.939 1.00 0.00 N ATOM 300 NH2 ARG A 28 -8.070 -9.252 12.368 1.00 0.00 N ATOM 0 H ARG A 28 -2.302 -6.845 6.879 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.990 -9.019 6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.116 -8.369 8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.062 -6.895 8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.165 -8.222 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.241 -9.712 8.389 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.309 -9.240 10.602 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.964 -7.614 10.593 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.958 -9.764 10.274 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.254 -7.816 12.715 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.597 -7.962 13.853 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.625 -9.778 11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.453 -9.042 13.290 1.00 0.00 H new ATOM 311 N ALA A 29 -5.395 -6.110 5.723 1.00 0.00 N ATOM 312 CA ALA A 29 -6.486 -5.467 4.989 1.00 0.00 C ATOM 313 C ALA A 29 -6.245 -5.473 3.471 1.00 0.00 C ATOM 314 O ALA A 29 -7.175 -5.680 2.693 1.00 0.00 O ATOM 315 CB ALA A 29 -6.627 -4.029 5.501 1.00 0.00 C ATOM 0 H ALA A 29 -4.678 -5.454 6.034 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.404 -6.028 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.436 -3.530 4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.851 -4.043 6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.695 -3.490 5.333 1.00 0.00 H new ATOM 321 N LEU A 30 -5.003 -5.253 3.029 1.00 0.00 N ATOM 322 CA LEU A 30 -4.676 -5.000 1.623 1.00 0.00 C ATOM 323 C LEU A 30 -4.987 -6.177 0.690 1.00 0.00 C ATOM 324 O LEU A 30 -5.341 -5.946 -0.460 1.00 0.00 O ATOM 325 CB LEU A 30 -3.204 -4.559 1.538 1.00 0.00 C ATOM 326 CG LEU A 30 -2.779 -3.944 0.190 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.663 -2.755 -0.208 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.318 -3.488 0.297 1.00 0.00 C ATOM 0 H LEU A 30 -4.189 -5.246 3.643 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.324 -4.202 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.013 -3.832 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.571 -5.423 1.741 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.892 -4.704 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.326 -2.355 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.698 -3.085 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.594 -1.979 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.003 -3.050 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.226 -2.744 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.685 -4.345 0.529 1.00 0.00 H new ATOM 339 N GLU A 31 -4.950 -7.423 1.176 1.00 0.00 N ATOM 340 CA GLU A 31 -5.333 -8.590 0.371 1.00 0.00 C ATOM 341 C GLU A 31 -6.844 -8.671 0.097 1.00 0.00 C ATOM 342 O GLU A 31 -7.271 -9.492 -0.725 1.00 0.00 O ATOM 343 CB GLU A 31 -4.856 -9.894 1.032 1.00 0.00 C ATOM 344 CG GLU A 31 -5.563 -10.254 2.351 1.00 0.00 C ATOM 345 CD GLU A 31 -5.348 -11.728 2.687 1.00 0.00 C ATOM 346 OE1 GLU A 31 -6.088 -12.581 2.132 1.00 0.00 O ATOM 347 OE2 GLU A 31 -4.422 -12.029 3.474 1.00 0.00 O ATOM 0 H GLU A 31 -4.658 -7.650 2.126 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.838 -8.462 -0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.997 -10.713 0.327 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.785 -9.817 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.179 -9.631 3.159 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.630 -10.046 2.268 1.00 0.00 H new ATOM 352 N ARG A 32 -7.653 -7.881 0.822 1.00 0.00 N ATOM 353 CA ARG A 32 -9.114 -7.989 0.863 1.00 0.00 C ATOM 354 C ARG A 32 -9.876 -6.670 0.619 1.00 0.00 C ATOM 355 O ARG A 32 -11.093 -6.733 0.434 1.00 0.00 O ATOM 356 CB ARG A 32 -9.567 -8.732 2.138 1.00 0.00 C ATOM 357 CG ARG A 32 -9.224 -8.041 3.466 1.00 0.00 C ATOM 358 CD ARG A 32 -9.413 -8.956 4.680 1.00 0.00 C ATOM 359 NE ARG A 32 -10.817 -9.270 4.989 1.00 0.00 N ATOM 360 CZ ARG A 32 -11.209 -10.199 5.858 1.00 0.00 C ATOM 361 NH1 ARG A 32 -10.352 -10.938 6.537 1.00 0.00 N ATOM 362 NH2 ARG A 32 -12.493 -10.400 6.053 1.00 0.00 N ATOM 0 H ARG A 32 -7.295 -7.129 1.411 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.396 -8.592 0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.647 -8.873 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.116 -9.724 2.138 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.190 -7.697 3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.851 -7.157 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.875 -9.888 4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.958 -8.483 5.551 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.540 -8.739 4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.349 -10.807 6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -10.693 -11.640 7.194 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.179 -9.846 5.540 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.803 -11.110 6.717 1.00 0.00 H new ATOM 373 N LEU A 33 -9.202 -5.510 0.525 1.00 0.00 N ATOM 374 CA LEU A 33 -9.800 -4.244 0.059 1.00 0.00 C ATOM 375 C LEU A 33 -10.461 -4.418 -1.319 1.00 0.00 C ATOM 376 O LEU A 33 -9.858 -4.957 -2.254 1.00 0.00 O ATOM 377 CB LEU A 33 -8.741 -3.120 -0.038 1.00 0.00 C ATOM 378 CG LEU A 33 -8.063 -2.643 1.261 1.00 0.00 C ATOM 379 CD1 LEU A 33 -7.091 -1.497 0.947 1.00 0.00 C ATOM 380 CD2 LEU A 33 -9.051 -2.158 2.327 1.00 0.00 C ATOM 0 H LEU A 33 -8.216 -5.423 0.773 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.555 -3.964 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.958 -3.458 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.215 -2.255 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.543 -3.511 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.613 -1.162 1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.330 -1.846 0.250 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.639 -0.667 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.502 -1.838 3.213 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.627 -1.320 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.727 -2.970 2.593 1.00 0.00 H new ATOM 391 N LYS A 34 -11.688 -3.918 -1.469 1.00 0.00 N ATOM 392 CA LYS A 34 -12.406 -3.951 -2.748 1.00 0.00 C ATOM 393 C LYS A 34 -11.622 -3.188 -3.835 1.00 0.00 C ATOM 394 O LYS A 34 -11.170 -2.061 -3.613 1.00 0.00 O ATOM 395 CB LYS A 34 -13.825 -3.399 -2.554 1.00 0.00 C ATOM 396 CG LYS A 34 -14.729 -4.363 -1.763 1.00 0.00 C ATOM 397 CD LYS A 34 -16.179 -3.859 -1.784 1.00 0.00 C ATOM 398 CE LYS A 34 -17.170 -4.718 -0.981 1.00 0.00 C ATOM 399 NZ LYS A 34 -16.870 -4.727 0.471 1.00 0.00 N ATOM 0 H LYS A 34 -12.212 -3.480 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.492 -4.981 -3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.772 -2.444 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.272 -3.204 -3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.676 -5.362 -2.196 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -14.378 -4.442 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.201 -2.842 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.517 -3.810 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -18.181 -4.342 -1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.149 -5.740 -1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.577 -5.306 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.923 -5.127 0.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.900 -3.754 0.838 1.00 0.00 H new ATOM 409 N GLY A 35 -11.408 -3.824 -4.992 1.00 0.00 N ATOM 410 CA GLY A 35 -10.573 -3.322 -6.095 1.00 0.00 C ATOM 411 C GLY A 35 -9.084 -3.683 -6.004 1.00 0.00 C ATOM 412 O GLY A 35 -8.344 -3.343 -6.926 1.00 0.00 O ATOM 0 H GLY A 35 -11.824 -4.733 -5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.968 -3.710 -7.034 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.666 -2.237 -6.135 1.00 0.00 H new ATOM 416 N VAL A 36 -8.641 -4.363 -4.937 1.00 0.00 N ATOM 417 CA VAL A 36 -7.264 -4.869 -4.773 1.00 0.00 C ATOM 418 C VAL A 36 -7.282 -6.404 -4.804 1.00 0.00 C ATOM 419 O VAL A 36 -8.165 -7.026 -4.209 1.00 0.00 O ATOM 420 CB VAL A 36 -6.605 -4.365 -3.464 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.101 -4.695 -3.450 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.771 -2.843 -3.281 1.00 0.00 C ATOM 0 H VAL A 36 -9.242 -4.584 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.664 -4.485 -5.598 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.112 -4.876 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.658 -4.333 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.965 -5.774 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.615 -4.212 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.294 -2.534 -2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.305 -2.323 -4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.832 -2.594 -3.245 1.00 0.00 H new ATOM 432 N ALA A 37 -6.328 -7.015 -5.513 1.00 0.00 N ATOM 433 CA ALA A 37 -6.274 -8.455 -5.782 1.00 0.00 C ATOM 434 C ALA A 37 -5.196 -9.201 -4.974 1.00 0.00 C ATOM 435 O ALA A 37 -5.513 -10.209 -4.343 1.00 0.00 O ATOM 436 CB ALA A 37 -6.048 -8.634 -7.287 1.00 0.00 C ATOM 0 H ALA A 37 -5.548 -6.505 -5.928 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.217 -8.898 -5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.002 -9.697 -7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.870 -8.175 -7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.110 -8.158 -7.573 1.00 0.00 H new ATOM 442 N GLU A 38 -3.948 -8.720 -4.969 1.00 0.00 N ATOM 443 CA GLU A 38 -2.807 -9.384 -4.319 1.00 0.00 C ATOM 444 C GLU A 38 -1.723 -8.372 -3.926 1.00 0.00 C ATOM 445 O GLU A 38 -1.514 -7.398 -4.645 1.00 0.00 O ATOM 446 CB GLU A 38 -2.252 -10.557 -5.166 1.00 0.00 C ATOM 447 CG GLU A 38 -1.778 -10.173 -6.580 1.00 0.00 C ATOM 448 CD GLU A 38 -1.159 -11.318 -7.391 1.00 0.00 C ATOM 449 OE1 GLU A 38 -0.652 -12.313 -6.811 1.00 0.00 O ATOM 450 OE2 GLU A 38 -1.107 -11.190 -8.640 1.00 0.00 O ATOM 0 H GLU A 38 -3.696 -7.843 -5.424 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.172 -9.831 -3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.418 -11.009 -4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.026 -11.320 -5.253 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.627 -9.773 -7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.045 -9.371 -6.495 1.00 0.00 H new ATOM 455 N ALA A 39 -1.022 -8.565 -2.804 1.00 0.00 N ATOM 456 CA ALA A 39 -0.083 -7.577 -2.253 1.00 0.00 C ATOM 457 C ALA A 39 0.897 -8.149 -1.212 1.00 0.00 C ATOM 458 O ALA A 39 0.616 -9.144 -0.539 1.00 0.00 O ATOM 459 CB ALA A 39 -0.893 -6.423 -1.646 1.00 0.00 C ATOM 0 H ALA A 39 -1.089 -9.417 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 39 0.543 -7.232 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.212 -5.679 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.506 -5.962 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.536 -6.807 -0.854 1.00 0.00 H new ATOM 465 N SER A 40 2.026 -7.467 -1.017 1.00 0.00 N ATOM 466 CA SER A 40 3.003 -7.781 0.031 1.00 0.00 C ATOM 467 C SER A 40 3.845 -6.557 0.425 1.00 0.00 C ATOM 468 O SER A 40 4.298 -5.809 -0.445 1.00 0.00 O ATOM 469 CB SER A 40 3.934 -8.922 -0.402 1.00 0.00 C ATOM 470 OG SER A 40 4.744 -9.317 0.695 1.00 0.00 O ATOM 0 H SER A 40 2.293 -6.667 -1.591 1.00 0.00 H new ATOM 0 HA SER A 40 2.428 -8.095 0.902 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.347 -9.769 -0.757 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.561 -8.598 -1.232 1.00 0.00 H new ATOM 0 HG SER A 40 5.337 -10.047 0.418 1.00 0.00 H new ATOM 475 N VAL A 41 4.098 -6.374 1.725 1.00 0.00 N ATOM 476 CA VAL A 41 5.034 -5.365 2.254 1.00 0.00 C ATOM 477 C VAL A 41 6.424 -5.998 2.427 1.00 0.00 C ATOM 478 O VAL A 41 6.563 -6.992 3.139 1.00 0.00 O ATOM 479 CB VAL A 41 4.545 -4.761 3.596 1.00 0.00 C ATOM 480 CG1 VAL A 41 5.479 -3.627 4.053 1.00 0.00 C ATOM 481 CG2 VAL A 41 3.118 -4.191 3.485 1.00 0.00 C ATOM 0 H VAL A 41 3.653 -6.930 2.455 1.00 0.00 H new ATOM 0 HA VAL A 41 5.087 -4.546 1.537 1.00 0.00 H new ATOM 0 HB VAL A 41 4.549 -5.574 4.322 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.119 -3.217 4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.487 -4.019 4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.494 -2.841 3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.815 -3.778 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.098 -3.405 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.430 -4.986 3.199 1.00 0.00 H new ATOM 491 N THR A 42 7.454 -5.401 1.804 1.00 0.00 N ATOM 492 CA THR A 42 8.865 -5.772 1.982 1.00 0.00 C ATOM 493 C THR A 42 9.386 -5.108 3.249 1.00 0.00 C ATOM 494 O THR A 42 9.585 -3.896 3.268 1.00 0.00 O ATOM 495 CB THR A 42 9.730 -5.349 0.788 1.00 0.00 C ATOM 496 OG1 THR A 42 9.278 -5.980 -0.382 1.00 0.00 O ATOM 497 CG2 THR A 42 11.185 -5.789 0.967 1.00 0.00 C ATOM 0 H THR A 42 7.324 -4.630 1.149 1.00 0.00 H new ATOM 0 HA THR A 42 8.926 -6.858 2.058 1.00 0.00 H new ATOM 0 HB THR A 42 9.661 -4.263 0.721 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.835 -5.703 -1.139 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.770 -5.473 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.595 -5.333 1.869 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.228 -6.874 1.057 1.00 0.00 H new ATOM 505 N VAL A 43 9.639 -5.892 4.290 1.00 0.00 N ATOM 506 CA VAL A 43 10.079 -5.390 5.605 1.00 0.00 C ATOM 507 C VAL A 43 11.558 -4.969 5.612 1.00 0.00 C ATOM 508 O VAL A 43 11.886 -3.941 6.209 1.00 0.00 O ATOM 509 CB VAL A 43 9.796 -6.437 6.708 1.00 0.00 C ATOM 510 CG1 VAL A 43 10.404 -6.054 8.068 1.00 0.00 C ATOM 511 CG2 VAL A 43 8.275 -6.591 6.880 1.00 0.00 C ATOM 0 H VAL A 43 9.546 -6.907 4.254 1.00 0.00 H new ATOM 0 HA VAL A 43 9.498 -4.492 5.815 1.00 0.00 H new ATOM 0 HB VAL A 43 10.260 -7.370 6.388 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.172 -6.827 8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.485 -5.960 7.970 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.986 -5.103 8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.069 -7.328 7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.842 -5.632 7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.834 -6.922 5.940 1.00 0.00 H new ATOM 521 N ALA A 44 12.450 -5.729 4.958 1.00 0.00 N ATOM 522 CA ALA A 44 13.902 -5.513 5.052 1.00 0.00 C ATOM 523 C ALA A 44 14.352 -4.142 4.512 1.00 0.00 C ATOM 524 O ALA A 44 15.093 -3.427 5.195 1.00 0.00 O ATOM 525 CB ALA A 44 14.615 -6.667 4.335 1.00 0.00 C ATOM 0 H ALA A 44 12.187 -6.506 4.352 1.00 0.00 H new ATOM 0 HA ALA A 44 14.177 -5.502 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.694 -6.522 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.349 -7.611 4.811 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.310 -6.689 3.289 1.00 0.00 H new ATOM 531 N THR A 45 13.882 -3.759 3.317 1.00 0.00 N ATOM 532 CA THR A 45 14.098 -2.435 2.702 1.00 0.00 C ATOM 533 C THR A 45 12.952 -1.457 2.958 1.00 0.00 C ATOM 534 O THR A 45 13.138 -0.262 2.744 1.00 0.00 O ATOM 535 CB THR A 45 14.389 -2.573 1.200 1.00 0.00 C ATOM 536 OG1 THR A 45 13.435 -3.421 0.603 1.00 0.00 O ATOM 537 CG2 THR A 45 15.778 -3.170 0.969 1.00 0.00 C ATOM 0 H THR A 45 13.323 -4.379 2.731 1.00 0.00 H new ATOM 0 HA THR A 45 14.973 -2.005 3.189 1.00 0.00 H new ATOM 0 HB THR A 45 14.343 -1.579 0.756 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.625 -3.504 -0.355 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.963 -3.259 -0.102 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.532 -2.521 1.415 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.831 -4.157 1.429 1.00 0.00 H new ATOM 545 N GLY A 46 11.803 -1.914 3.468 1.00 0.00 N ATOM 546 CA GLY A 46 10.703 -1.068 3.948 1.00 0.00 C ATOM 547 C GLY A 46 9.955 -0.374 2.813 1.00 0.00 C ATOM 548 O GLY A 46 9.967 0.855 2.732 1.00 0.00 O ATOM 0 H GLY A 46 11.606 -2.911 3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.003 -1.678 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.100 -0.316 4.630 1.00 0.00 H new ATOM 552 N ARG A 47 9.306 -1.156 1.946 1.00 0.00 N ATOM 553 CA ARG A 47 8.635 -0.707 0.710 1.00 0.00 C ATOM 554 C ARG A 47 7.508 -1.669 0.303 1.00 0.00 C ATOM 555 O ARG A 47 7.352 -2.723 0.918 1.00 0.00 O ATOM 556 CB ARG A 47 9.672 -0.499 -0.411 1.00 0.00 C ATOM 557 CG ARG A 47 10.466 -1.773 -0.754 1.00 0.00 C ATOM 558 CD ARG A 47 11.516 -1.541 -1.846 1.00 0.00 C ATOM 559 NE ARG A 47 12.546 -0.571 -1.428 1.00 0.00 N ATOM 560 CZ ARG A 47 13.786 -0.489 -1.884 1.00 0.00 C ATOM 561 NH1 ARG A 47 14.254 -1.287 -2.816 1.00 0.00 N ATOM 562 NH2 ARG A 47 14.587 0.421 -1.385 1.00 0.00 N ATOM 0 H ARG A 47 9.227 -2.163 2.087 1.00 0.00 H new ATOM 0 HA ARG A 47 8.158 0.255 0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.162 -0.146 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.368 0.284 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.959 -2.142 0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.775 -2.550 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.992 -2.489 -2.098 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.025 -1.181 -2.750 1.00 0.00 H new ATOM 0 HE ARG A 47 12.275 0.106 -0.715 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.654 -2.007 -3.219 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.217 -1.187 -3.137 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.252 1.052 -0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.546 0.498 -1.725 1.00 0.00 H new ATOM 573 N LEU A 48 6.692 -1.306 -0.692 1.00 0.00 N ATOM 574 CA LEU A 48 5.423 -1.992 -0.987 1.00 0.00 C ATOM 575 C LEU A 48 5.339 -2.536 -2.421 1.00 0.00 C ATOM 576 O LEU A 48 5.907 -1.949 -3.349 1.00 0.00 O ATOM 577 CB LEU A 48 4.268 -1.004 -0.705 1.00 0.00 C ATOM 578 CG LEU A 48 3.296 -1.460 0.397 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.369 -0.294 0.756 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.446 -2.662 -0.039 1.00 0.00 C ATOM 0 H LEU A 48 6.891 -0.526 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 48 5.353 -2.869 -0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.691 -0.040 -0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.706 -0.848 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 48 3.888 -1.769 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.676 -0.607 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.963 0.546 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.807 0.010 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.776 -2.947 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.859 -2.393 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.099 -3.500 -0.282 1.00 0.00 H new ATOM 591 N THR A 49 4.551 -3.606 -2.579 1.00 0.00 N ATOM 592 CA THR A 49 4.066 -4.188 -3.838 1.00 0.00 C ATOM 593 C THR A 49 2.576 -4.454 -3.665 1.00 0.00 C ATOM 594 O THR A 49 2.178 -5.093 -2.693 1.00 0.00 O ATOM 595 CB THR A 49 4.819 -5.489 -4.152 1.00 0.00 C ATOM 596 OG1 THR A 49 6.070 -5.139 -4.691 1.00 0.00 O ATOM 597 CG2 THR A 49 4.131 -6.389 -5.181 1.00 0.00 C ATOM 0 H THR A 49 4.210 -4.127 -1.771 1.00 0.00 H new ATOM 0 HA THR A 49 4.238 -3.507 -4.672 1.00 0.00 H new ATOM 0 HB THR A 49 4.874 -6.047 -3.217 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.575 -5.952 -4.900 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.732 -7.284 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.146 -6.675 -4.813 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.025 -5.850 -6.122 1.00 0.00 H new ATOM 605 N VAL A 50 1.766 -3.976 -4.604 1.00 0.00 N ATOM 606 CA VAL A 50 0.300 -4.092 -4.583 1.00 0.00 C ATOM 607 C VAL A 50 -0.240 -4.264 -6.005 1.00 0.00 C ATOM 608 O VAL A 50 0.242 -3.622 -6.932 1.00 0.00 O ATOM 609 CB VAL A 50 -0.337 -2.873 -3.864 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.014 -1.528 -4.536 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.862 -2.995 -3.722 1.00 0.00 C ATOM 0 H VAL A 50 2.114 -3.483 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 50 0.024 -4.981 -4.016 1.00 0.00 H new ATOM 0 HB VAL A 50 0.119 -2.885 -2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.491 -0.720 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.065 -1.375 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.387 -1.534 -5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.252 -2.114 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.315 -3.072 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.103 -3.886 -3.143 1.00 0.00 H new ATOM 621 N THR A 51 -1.239 -5.134 -6.176 1.00 0.00 N ATOM 622 CA THR A 51 -1.955 -5.369 -7.432 1.00 0.00 C ATOM 623 C THR A 51 -3.383 -4.877 -7.261 1.00 0.00 C ATOM 624 O THR A 51 -4.183 -5.546 -6.613 1.00 0.00 O ATOM 625 CB THR A 51 -1.916 -6.855 -7.807 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.573 -7.213 -8.059 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.690 -7.147 -9.097 1.00 0.00 C ATOM 0 H THR A 51 -1.584 -5.717 -5.413 1.00 0.00 H new ATOM 0 HA THR A 51 -1.478 -4.824 -8.246 1.00 0.00 H new ATOM 0 HB THR A 51 -2.362 -7.413 -6.984 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.527 -8.162 -8.299 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.634 -8.212 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.733 -6.858 -8.969 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.254 -6.579 -9.919 1.00 0.00 H new ATOM 635 N TYR A 52 -3.696 -3.727 -7.857 1.00 0.00 N ATOM 636 CA TYR A 52 -5.035 -3.116 -7.851 1.00 0.00 C ATOM 637 C TYR A 52 -5.496 -2.694 -9.255 1.00 0.00 C ATOM 638 O TYR A 52 -4.670 -2.494 -10.149 1.00 0.00 O ATOM 639 CB TYR A 52 -5.085 -1.940 -6.856 1.00 0.00 C ATOM 640 CG TYR A 52 -4.335 -0.664 -7.223 1.00 0.00 C ATOM 641 CD1 TYR A 52 -4.897 0.262 -8.126 1.00 0.00 C ATOM 642 CD2 TYR A 52 -3.119 -0.350 -6.584 1.00 0.00 C ATOM 643 CE1 TYR A 52 -4.259 1.492 -8.379 1.00 0.00 C ATOM 644 CE2 TYR A 52 -2.477 0.881 -6.826 1.00 0.00 C ATOM 645 CZ TYR A 52 -3.055 1.816 -7.715 1.00 0.00 C ATOM 646 OH TYR A 52 -2.475 3.032 -7.915 1.00 0.00 O ATOM 0 H TYR A 52 -3.010 -3.176 -8.373 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.741 -3.877 -7.518 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.132 -1.679 -6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.697 -2.293 -5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.824 0.026 -8.628 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.675 -1.060 -5.902 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.691 2.189 -9.082 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.544 1.110 -6.333 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.823 3.205 -7.204 1.00 0.00 H new ATOM 655 N ASP A 53 -6.811 -2.552 -9.446 1.00 0.00 N ATOM 656 CA ASP A 53 -7.458 -2.142 -10.691 1.00 0.00 C ATOM 657 C ASP A 53 -7.653 -0.608 -10.722 1.00 0.00 C ATOM 658 O ASP A 53 -8.486 -0.105 -9.956 1.00 0.00 O ATOM 659 CB ASP A 53 -8.800 -2.890 -10.794 1.00 0.00 C ATOM 660 CG ASP A 53 -9.701 -2.367 -11.913 1.00 0.00 C ATOM 661 OD1 ASP A 53 -9.168 -1.842 -12.914 1.00 0.00 O ATOM 662 OD2 ASP A 53 -10.942 -2.424 -11.746 1.00 0.00 O ATOM 0 H ASP A 53 -7.483 -2.729 -8.700 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.835 -2.395 -11.549 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.605 -3.950 -10.959 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.328 -2.807 -9.844 1.00 0.00 H new ATOM 666 N PRO A 54 -6.964 0.133 -11.622 1.00 0.00 N ATOM 667 CA PRO A 54 -7.097 1.587 -11.779 1.00 0.00 C ATOM 668 C PRO A 54 -8.514 2.093 -12.099 1.00 0.00 C ATOM 669 O PRO A 54 -8.740 3.301 -12.134 1.00 0.00 O ATOM 670 CB PRO A 54 -6.147 1.970 -12.919 1.00 0.00 C ATOM 671 CG PRO A 54 -5.104 0.862 -12.912 1.00 0.00 C ATOM 672 CD PRO A 54 -5.942 -0.353 -12.541 1.00 0.00 C ATOM 0 HA PRO A 54 -6.859 2.052 -10.823 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.669 2.021 -13.874 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.694 2.947 -12.751 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.624 0.746 -13.884 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.313 1.050 -12.186 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.394 -0.801 -13.426 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.329 -1.122 -12.072 1.00 0.00 H new ATOM 677 N LYS A 55 -9.458 1.183 -12.362 1.00 0.00 N ATOM 678 CA LYS A 55 -10.812 1.497 -12.842 1.00 0.00 C ATOM 679 C LYS A 55 -11.836 1.345 -11.709 1.00 0.00 C ATOM 680 O LYS A 55 -12.736 2.172 -11.574 1.00 0.00 O ATOM 681 CB LYS A 55 -11.167 0.600 -14.046 1.00 0.00 C ATOM 682 CG LYS A 55 -10.143 0.587 -15.198 1.00 0.00 C ATOM 683 CD LYS A 55 -9.941 1.938 -15.895 1.00 0.00 C ATOM 684 CE LYS A 55 -8.918 1.786 -17.029 1.00 0.00 C ATOM 685 NZ LYS A 55 -8.747 3.047 -17.787 1.00 0.00 N ATOM 0 H LYS A 55 -9.300 0.182 -12.245 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.839 2.535 -13.172 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.296 -0.422 -13.688 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.129 0.922 -14.444 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.183 0.248 -14.808 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.462 -0.145 -15.940 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.889 2.298 -16.293 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.594 2.681 -15.176 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.958 1.478 -16.614 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.241 0.995 -17.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.049 2.905 -18.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.657 3.328 -18.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.415 3.795 -17.146 1.00 0.00 H new ATOM 695 N GLN A 56 -11.663 0.348 -10.833 1.00 0.00 N ATOM 696 CA GLN A 56 -12.320 0.320 -9.525 1.00 0.00 C ATOM 697 C GLN A 56 -11.705 1.328 -8.546 1.00 0.00 C ATOM 698 O GLN A 56 -12.464 1.892 -7.761 1.00 0.00 O ATOM 699 CB GLN A 56 -12.253 -1.089 -8.907 1.00 0.00 C ATOM 700 CG GLN A 56 -13.302 -2.066 -9.459 1.00 0.00 C ATOM 701 CD GLN A 56 -14.712 -1.877 -8.891 1.00 0.00 C ATOM 702 OE1 GLN A 56 -15.137 -0.789 -8.507 1.00 0.00 O ATOM 703 NE2 GLN A 56 -15.475 -2.942 -8.776 1.00 0.00 N ATOM 0 H GLN A 56 -11.065 -0.459 -11.012 1.00 0.00 H new ATOM 0 HA GLN A 56 -13.360 0.598 -9.695 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.260 -1.503 -9.080 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -12.381 -1.007 -7.828 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -13.344 -1.959 -10.543 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.975 -3.085 -9.252 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.134 -3.850 -9.091 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.408 -2.860 -8.372 1.00 0.00 H new ATOM 710 N VAL A 57 -10.383 1.566 -8.546 1.00 0.00 N ATOM 711 CA VAL A 57 -9.711 2.330 -7.463 1.00 0.00 C ATOM 712 C VAL A 57 -8.460 3.090 -7.932 1.00 0.00 C ATOM 713 O VAL A 57 -8.028 2.938 -9.069 1.00 0.00 O ATOM 714 CB VAL A 57 -9.328 1.427 -6.258 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.533 0.739 -5.600 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.291 0.343 -6.601 1.00 0.00 C ATOM 0 H VAL A 57 -9.752 1.244 -9.280 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.453 3.063 -7.148 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.887 2.133 -5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.191 0.125 -4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.228 1.495 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.037 0.108 -6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.074 -0.247 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.689 -0.308 -7.380 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.375 0.815 -6.956 1.00 0.00 H new ATOM 726 N SER A 58 -7.846 3.878 -7.045 1.00 0.00 N ATOM 727 CA SER A 58 -6.516 4.478 -7.243 1.00 0.00 C ATOM 728 C SER A 58 -5.632 4.345 -5.984 1.00 0.00 C ATOM 729 O SER A 58 -6.023 3.678 -5.019 1.00 0.00 O ATOM 730 CB SER A 58 -6.673 5.954 -7.656 1.00 0.00 C ATOM 731 OG SER A 58 -6.882 6.819 -6.545 1.00 0.00 O ATOM 0 H SER A 58 -8.266 4.124 -6.149 1.00 0.00 H new ATOM 0 HA SER A 58 -6.010 3.935 -8.041 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.781 6.272 -8.196 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.512 6.046 -8.345 1.00 0.00 H new ATOM 0 HG SER A 58 -6.973 7.742 -6.862 1.00 0.00 H new ATOM 736 N GLU A 59 -4.488 5.054 -5.937 1.00 0.00 N ATOM 737 CA GLU A 59 -3.677 5.246 -4.722 1.00 0.00 C ATOM 738 C GLU A 59 -4.505 5.681 -3.491 1.00 0.00 C ATOM 739 O GLU A 59 -4.096 5.434 -2.360 1.00 0.00 O ATOM 740 CB GLU A 59 -2.522 6.243 -4.976 1.00 0.00 C ATOM 741 CG GLU A 59 -2.970 7.670 -5.347 1.00 0.00 C ATOM 742 CD GLU A 59 -1.835 8.699 -5.284 1.00 0.00 C ATOM 743 OE1 GLU A 59 -0.737 8.481 -5.847 1.00 0.00 O ATOM 744 OE2 GLU A 59 -2.051 9.788 -4.700 1.00 0.00 O ATOM 0 H GLU A 59 -4.096 5.517 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.260 4.267 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.901 6.293 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.895 5.854 -5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.388 7.662 -6.354 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.769 7.979 -4.673 1.00 0.00 H new ATOM 749 N ILE A 60 -5.690 6.273 -3.687 1.00 0.00 N ATOM 750 CA ILE A 60 -6.661 6.596 -2.627 1.00 0.00 C ATOM 751 C ILE A 60 -6.992 5.374 -1.760 1.00 0.00 C ATOM 752 O ILE A 60 -6.914 5.476 -0.535 1.00 0.00 O ATOM 753 CB ILE A 60 -7.917 7.230 -3.273 1.00 0.00 C ATOM 754 CG1 ILE A 60 -7.589 8.688 -3.672 1.00 0.00 C ATOM 755 CG2 ILE A 60 -9.153 7.157 -2.354 1.00 0.00 C ATOM 756 CD1 ILE A 60 -8.657 9.352 -4.548 1.00 0.00 C ATOM 0 H ILE A 60 -6.012 6.550 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.221 7.321 -1.943 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.178 6.658 -4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.457 9.280 -2.767 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.638 8.703 -4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.006 7.615 -2.854 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.380 6.114 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.948 7.690 -1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.352 10.372 -4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -8.774 8.785 -5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.606 9.372 -4.012 1.00 0.00 H new ATOM 767 N THR A 61 -7.313 4.221 -2.366 1.00 0.00 N ATOM 768 CA THR A 61 -7.758 3.010 -1.644 1.00 0.00 C ATOM 769 C THR A 61 -6.712 2.509 -0.658 1.00 0.00 C ATOM 770 O THR A 61 -7.078 2.021 0.411 1.00 0.00 O ATOM 771 CB THR A 61 -8.172 1.931 -2.653 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.488 2.242 -3.038 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.215 0.500 -2.111 1.00 0.00 C ATOM 0 H THR A 61 -7.272 4.097 -3.378 1.00 0.00 H new ATOM 0 HA THR A 61 -8.628 3.268 -1.040 1.00 0.00 H new ATOM 0 HB THR A 61 -7.425 1.942 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.049 1.442 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.519 -0.181 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.226 0.218 -1.750 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.931 0.443 -1.291 1.00 0.00 H new ATOM 781 N ILE A 62 -5.428 2.647 -0.989 1.00 0.00 N ATOM 782 CA ILE A 62 -4.306 2.262 -0.118 1.00 0.00 C ATOM 783 C ILE A 62 -3.804 3.433 0.751 1.00 0.00 C ATOM 784 O ILE A 62 -3.346 3.191 1.870 1.00 0.00 O ATOM 785 CB ILE A 62 -3.232 1.540 -0.970 1.00 0.00 C ATOM 786 CG1 ILE A 62 -2.271 0.754 -0.057 1.00 0.00 C ATOM 787 CG2 ILE A 62 -2.512 2.479 -1.950 1.00 0.00 C ATOM 788 CD1 ILE A 62 -1.119 0.048 -0.785 1.00 0.00 C ATOM 0 H ILE A 62 -5.128 3.035 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.638 1.543 0.631 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.739 0.819 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.850 1.439 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.845 0.008 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.772 1.915 -2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.238 2.916 -2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.014 3.273 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.498 -0.477 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.525 -0.667 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.515 0.786 -1.312 1.00 0.00 H new ATOM 799 N GLN A 63 -3.987 4.696 0.342 1.00 0.00 N ATOM 800 CA GLN A 63 -3.813 5.862 1.220 1.00 0.00 C ATOM 801 C GLN A 63 -4.758 5.768 2.425 1.00 0.00 C ATOM 802 O GLN A 63 -4.298 5.907 3.556 1.00 0.00 O ATOM 803 CB GLN A 63 -4.028 7.182 0.450 1.00 0.00 C ATOM 804 CG GLN A 63 -3.597 8.399 1.291 1.00 0.00 C ATOM 805 CD GLN A 63 -3.760 9.730 0.555 1.00 0.00 C ATOM 806 OE1 GLN A 63 -2.814 10.292 0.008 1.00 0.00 O ATOM 807 NE2 GLN A 63 -4.950 10.288 0.513 1.00 0.00 N ATOM 0 H GLN A 63 -4.261 4.939 -0.610 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.786 5.861 1.585 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.459 7.160 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.079 7.279 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.185 8.425 2.209 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.554 8.279 1.584 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.743 9.832 0.963 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.080 11.177 0.030 1.00 0.00 H new ATOM 814 N GLU A 64 -6.033 5.425 2.201 1.00 0.00 N ATOM 815 CA GLU A 64 -7.052 5.162 3.230 1.00 0.00 C ATOM 816 C GLU A 64 -6.755 3.935 4.125 1.00 0.00 C ATOM 817 O GLU A 64 -7.600 3.536 4.934 1.00 0.00 O ATOM 818 CB GLU A 64 -8.432 5.020 2.553 1.00 0.00 C ATOM 819 CG GLU A 64 -8.983 6.330 1.969 1.00 0.00 C ATOM 820 CD GLU A 64 -9.232 7.421 3.008 1.00 0.00 C ATOM 821 OE1 GLU A 64 -9.513 7.125 4.196 1.00 0.00 O ATOM 822 OE2 GLU A 64 -9.183 8.616 2.631 1.00 0.00 O ATOM 0 H GLU A 64 -6.401 5.318 1.256 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.040 6.016 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.359 4.282 1.755 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.144 4.632 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.282 6.706 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.917 6.119 1.449 1.00 0.00 H new ATOM 827 N ARG A 65 -5.564 3.333 4.001 1.00 0.00 N ATOM 828 CA ARG A 65 -4.989 2.376 4.952 1.00 0.00 C ATOM 829 C ARG A 65 -3.632 2.863 5.486 1.00 0.00 C ATOM 830 O ARG A 65 -3.408 2.857 6.692 1.00 0.00 O ATOM 831 CB ARG A 65 -4.877 1.005 4.262 1.00 0.00 C ATOM 832 CG ARG A 65 -4.537 -0.158 5.212 1.00 0.00 C ATOM 833 CD ARG A 65 -5.492 -0.360 6.398 1.00 0.00 C ATOM 834 NE ARG A 65 -6.905 -0.394 5.971 1.00 0.00 N ATOM 835 CZ ARG A 65 -7.920 -0.980 6.590 1.00 0.00 C ATOM 836 NH1 ARG A 65 -7.792 -1.615 7.731 1.00 0.00 N ATOM 837 NH2 ARG A 65 -9.109 -0.920 6.036 1.00 0.00 N ATOM 0 H ARG A 65 -4.952 3.507 3.204 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.642 2.285 5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.820 0.786 3.761 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.111 1.062 3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.511 -1.080 4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.532 0.001 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.245 -1.291 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.350 0.445 7.119 1.00 0.00 H new ATOM 0 HE ARG A 65 -7.125 0.089 5.100 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.879 -1.674 8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.605 -2.050 8.167 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.235 -0.431 5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.907 -1.363 6.492 1.00 0.00 H new ATOM 848 N ILE A 66 -2.720 3.328 4.628 1.00 0.00 N ATOM 849 CA ILE A 66 -1.367 3.775 5.028 1.00 0.00 C ATOM 850 C ILE A 66 -1.406 5.057 5.873 1.00 0.00 C ATOM 851 O ILE A 66 -0.756 5.118 6.918 1.00 0.00 O ATOM 852 CB ILE A 66 -0.474 3.934 3.774 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.239 2.571 3.083 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.886 4.546 4.156 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.223 2.715 1.629 1.00 0.00 C ATOM 0 H ILE A 66 -2.893 3.409 3.626 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.930 3.009 5.668 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.993 4.598 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.508 2.009 3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.161 1.991 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.502 4.651 3.263 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.730 5.526 4.607 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.390 3.895 4.870 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.372 1.726 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.535 3.252 1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.161 3.270 1.598 1.00 0.00 H new ATOM 866 N ALA A 67 -2.189 6.059 5.467 1.00 0.00 N ATOM 867 CA ALA A 67 -2.357 7.292 6.236 1.00 0.00 C ATOM 868 C ALA A 67 -3.152 7.047 7.536 1.00 0.00 C ATOM 869 O ALA A 67 -2.955 7.751 8.527 1.00 0.00 O ATOM 870 CB ALA A 67 -3.033 8.340 5.347 1.00 0.00 C ATOM 0 H ALA A 67 -2.723 6.038 4.598 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.378 7.661 6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.164 9.264 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.410 8.532 4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.007 7.970 5.025 1.00 0.00 H new ATOM 876 N ALA A 68 -4.008 6.015 7.549 1.00 0.00 N ATOM 877 CA ALA A 68 -4.786 5.573 8.708 1.00 0.00 C ATOM 878 C ALA A 68 -3.937 4.833 9.762 1.00 0.00 C ATOM 879 O ALA A 68 -4.227 4.944 10.957 1.00 0.00 O ATOM 880 CB ALA A 68 -5.946 4.706 8.198 1.00 0.00 C ATOM 0 H ALA A 68 -4.182 5.446 6.720 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.171 6.450 9.228 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.543 4.363 9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.572 5.294 7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.548 3.845 7.661 1.00 0.00 H new ATOM 886 N LEU A 69 -2.871 4.125 9.361 1.00 0.00 N ATOM 887 CA LEU A 69 -1.829 3.637 10.283 1.00 0.00 C ATOM 888 C LEU A 69 -0.852 4.753 10.725 1.00 0.00 C ATOM 889 O LEU A 69 -0.095 4.538 11.676 1.00 0.00 O ATOM 890 CB LEU A 69 -1.079 2.432 9.673 1.00 0.00 C ATOM 891 CG LEU A 69 -1.669 1.031 9.961 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.976 0.794 11.446 1.00 0.00 C ATOM 893 CD2 LEU A 69 -2.916 0.726 9.123 1.00 0.00 C ATOM 0 H LEU A 69 -2.705 3.873 8.387 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.334 3.302 11.189 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.037 2.568 8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.052 2.450 10.037 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.878 0.340 9.667 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.387 -0.207 11.577 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.059 0.889 12.027 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.701 1.532 11.790 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.285 -0.270 9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.689 1.463 9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.662 0.768 8.064 1.00 0.00 H new ATOM 904 N GLY A 70 -0.897 5.937 10.093 1.00 0.00 N ATOM 905 CA GLY A 70 -0.274 7.179 10.579 1.00 0.00 C ATOM 906 C GLY A 70 0.798 7.811 9.685 1.00 0.00 C ATOM 907 O GLY A 70 1.407 8.803 10.100 1.00 0.00 O ATOM 0 H GLY A 70 -1.382 6.060 9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.062 7.915 10.736 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.172 6.977 11.553 1.00 0.00 H new ATOM 911 N TYR A 71 1.056 7.258 8.497 1.00 0.00 N ATOM 912 CA TYR A 71 2.164 7.658 7.608 1.00 0.00 C ATOM 913 C TYR A 71 1.675 8.444 6.369 1.00 0.00 C ATOM 914 O TYR A 71 0.599 9.053 6.398 1.00 0.00 O ATOM 915 CB TYR A 71 2.949 6.388 7.214 1.00 0.00 C ATOM 916 CG TYR A 71 3.291 5.484 8.380 1.00 0.00 C ATOM 917 CD1 TYR A 71 4.348 5.813 9.249 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.506 4.343 8.627 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.617 5.008 10.372 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.767 3.540 9.750 1.00 0.00 C ATOM 921 CZ TYR A 71 3.817 3.874 10.632 1.00 0.00 C ATOM 922 OH TYR A 71 4.057 3.110 11.728 1.00 0.00 O ATOM 0 H TYR A 71 0.490 6.501 8.112 1.00 0.00 H new ATOM 0 HA TYR A 71 2.820 8.346 8.141 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.363 5.822 6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.872 6.685 6.716 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.954 6.685 9.054 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.703 4.084 7.953 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.434 5.257 11.033 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.163 2.665 9.939 1.00 0.00 H new ATOM 0 HH TYR A 71 3.415 2.370 11.758 1.00 0.00 H new ATOM 931 N THR A 72 2.439 8.393 5.269 1.00 0.00 N ATOM 932 CA THR A 72 2.006 8.701 3.894 1.00 0.00 C ATOM 933 C THR A 72 2.641 7.679 2.938 1.00 0.00 C ATOM 934 O THR A 72 3.290 6.736 3.397 1.00 0.00 O ATOM 935 CB THR A 72 2.391 10.134 3.476 1.00 0.00 C ATOM 936 OG1 THR A 72 3.795 10.233 3.425 1.00 0.00 O ATOM 937 CG2 THR A 72 1.848 11.212 4.411 1.00 0.00 C ATOM 0 H THR A 72 3.422 8.124 5.313 1.00 0.00 H new ATOM 0 HA THR A 72 0.919 8.638 3.849 1.00 0.00 H new ATOM 0 HB THR A 72 1.940 10.311 2.500 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.049 11.141 3.158 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.159 12.194 4.054 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.759 11.161 4.431 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.237 11.052 5.416 1.00 0.00 H new ATOM 945 N LEU A 73 2.495 7.878 1.624 1.00 0.00 N ATOM 946 CA LEU A 73 3.137 7.075 0.574 1.00 0.00 C ATOM 947 C LEU A 73 3.658 7.932 -0.591 1.00 0.00 C ATOM 948 O LEU A 73 3.359 9.127 -0.684 1.00 0.00 O ATOM 949 CB LEU A 73 2.181 5.957 0.089 1.00 0.00 C ATOM 950 CG LEU A 73 0.980 6.389 -0.790 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.483 5.185 -1.603 1.00 0.00 C ATOM 952 CD2 LEU A 73 -0.187 6.948 0.038 1.00 0.00 C ATOM 0 H LEU A 73 1.910 8.624 1.249 1.00 0.00 H new ATOM 0 HA LEU A 73 4.017 6.605 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.768 5.230 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.790 5.441 0.966 1.00 0.00 H new ATOM 0 HG LEU A 73 1.331 7.185 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.362 5.488 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.288 4.820 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.170 4.392 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.001 7.235 -0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.538 6.185 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.149 7.821 0.597 1.00 0.00 H new ATOM 963 N ALA A 74 4.383 7.299 -1.517 1.00 0.00 N ATOM 964 CA ALA A 74 4.842 7.906 -2.768 1.00 0.00 C ATOM 965 C ALA A 74 4.838 6.894 -3.931 1.00 0.00 C ATOM 966 O ALA A 74 5.717 6.028 -4.012 1.00 0.00 O ATOM 967 CB ALA A 74 6.234 8.502 -2.525 1.00 0.00 C ATOM 0 H ALA A 74 4.674 6.327 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 74 4.156 8.698 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.599 8.961 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.175 9.257 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.919 7.712 -2.217 1.00 0.00 H new ATOM 973 N GLU A 75 3.859 7.028 -4.831 1.00 0.00 N ATOM 974 CA GLU A 75 3.643 6.210 -6.032 1.00 0.00 C ATOM 975 C GLU A 75 3.759 7.081 -7.317 1.00 0.00 C ATOM 976 O GLU A 75 2.742 7.385 -7.953 1.00 0.00 O ATOM 977 CB GLU A 75 2.252 5.542 -5.905 1.00 0.00 C ATOM 978 CG GLU A 75 2.032 4.409 -6.916 1.00 0.00 C ATOM 979 CD GLU A 75 0.564 4.286 -7.331 1.00 0.00 C ATOM 980 OE1 GLU A 75 -0.195 3.550 -6.673 1.00 0.00 O ATOM 981 OE2 GLU A 75 0.179 4.919 -8.345 1.00 0.00 O ATOM 0 H GLU A 75 3.151 7.756 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 75 4.407 5.437 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.136 5.147 -4.896 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.479 6.298 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.644 4.588 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.366 3.466 -6.482 1.00 0.00 H new ATOM 986 N PRO A 76 4.964 7.545 -7.709 1.00 0.00 N ATOM 987 CA PRO A 76 5.161 8.475 -8.830 1.00 0.00 C ATOM 988 C PRO A 76 4.937 7.850 -10.214 1.00 0.00 C ATOM 989 O PRO A 76 4.399 8.564 -11.096 1.00 0.00 O ATOM 990 CB PRO A 76 6.581 9.028 -8.663 1.00 0.00 C ATOM 991 CG PRO A 76 7.313 7.902 -7.939 1.00 0.00 C ATOM 992 CD PRO A 76 6.234 7.297 -7.045 1.00 0.00 C ATOM 0 HA PRO A 76 4.410 9.264 -8.795 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.041 9.253 -9.625 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.588 9.951 -8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.714 7.168 -8.638 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.153 8.279 -7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.398 6.228 -6.907 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.250 7.752 -6.055 1.00 0.00 H new