USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 514 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 23 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.16) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -124:sc= 0.743 USER MOD Set 2.2: A 35 ASN : amide:sc= 0.408 K(o=1.2,f=0.039!) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 24 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.025) USER MOD Single : A 28 SER OG : rot 180:sc= 0.507 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-0.83) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.829 K(o=0.83,f=-0.56) USER MOD Single : A 56 GLN : amide:sc= -0.0539 X(o=-0.054,f=-0.22) USER MOD Single : A 59 LYS NZ :NH3+ 174:sc= 0.933 (180deg=0.908) USER MOD Single : A 61 LYS NZ :NH3+ 178:sc= 0.91 (180deg=0.906) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.1) USER MOD Single : A 69 LYS NZ :NH3+ 174:sc= 0.924 (180deg=0.897) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 11 0.934 -0.379 -0.826 1.00 0.00 N ATOM 2 CA GLY A 11 1.726 -0.009 0.341 1.00 0.00 C ATOM 3 C GLY A 11 2.258 1.413 0.218 1.00 0.00 C ATOM 4 O GLY A 11 3.370 1.709 0.654 1.00 0.00 O ATOM 0 HA2 GLY A 11 1.116 -0.095 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.559 -0.703 0.453 1.00 0.00 H new ATOM 8 N ALA A 12 1.458 2.289 -0.380 1.00 0.00 N ATOM 9 CA ALA A 12 1.857 3.677 -0.582 1.00 0.00 C ATOM 10 C ALA A 12 2.026 4.402 0.747 1.00 0.00 C ATOM 11 O ALA A 12 2.973 5.164 0.933 1.00 0.00 O ATOM 12 CB ALA A 12 0.842 4.398 -1.457 1.00 0.00 C ATOM 0 H ALA A 12 0.529 2.062 -0.734 1.00 0.00 H new ATOM 0 HA ALA A 12 2.822 3.679 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.154 5.433 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.779 3.902 -2.426 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.135 4.376 -0.974 1.00 0.00 H new ATOM 18 N PRO A 13 1.100 4.159 1.669 1.00 0.00 N ATOM 19 CA PRO A 13 1.166 4.757 2.997 1.00 0.00 C ATOM 20 C PRO A 13 2.492 4.443 3.677 1.00 0.00 C ATOM 21 O PRO A 13 3.085 5.303 4.329 1.00 0.00 O ATOM 22 CB PRO A 13 -0.024 4.145 3.743 1.00 0.00 C ATOM 23 CG PRO A 13 -0.994 3.790 2.668 1.00 0.00 C ATOM 24 CD PRO A 13 -0.153 3.311 1.514 1.00 0.00 C ATOM 0 HA PRO A 13 1.114 5.845 2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.275 3.266 4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.456 4.853 4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.683 3.014 3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.598 4.652 2.383 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.064 2.245 1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.643 3.477 0.555 1.00 0.00 H new ATOM 32 N GLY A 14 2.953 3.207 3.522 1.00 0.00 N ATOM 33 CA GLY A 14 4.214 2.779 4.118 1.00 0.00 C ATOM 34 C GLY A 14 5.400 3.458 3.445 1.00 0.00 C ATOM 35 O GLY A 14 6.348 3.873 4.109 1.00 0.00 O ATOM 0 H GLY A 14 2.472 2.483 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.214 3.013 5.183 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.313 1.697 4.029 1.00 0.00 H new ATOM 39 N ILE A 15 5.340 3.566 2.122 1.00 0.00 N ATOM 40 CA ILE A 15 6.392 4.227 1.359 1.00 0.00 C ATOM 41 C ILE A 15 6.495 5.702 1.727 1.00 0.00 C ATOM 42 O ILE A 15 7.591 6.226 1.928 1.00 0.00 O ATOM 43 CB ILE A 15 6.154 4.103 -0.157 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.309 2.646 -0.604 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.113 5.001 -0.922 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.807 2.380 -2.005 1.00 0.00 C ATOM 0 H ILE A 15 4.573 3.204 1.555 1.00 0.00 H new ATOM 0 HA ILE A 15 7.326 3.726 1.613 1.00 0.00 H new ATOM 0 HB ILE A 15 5.136 4.425 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.361 2.368 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.771 2.003 0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.930 4.900 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.957 6.038 -0.623 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.140 4.710 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.951 1.327 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.746 2.625 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.361 2.996 -2.713 1.00 0.00 H new ATOM 58 N ILE A 16 5.348 6.367 1.814 1.00 0.00 N ATOM 59 CA ILE A 16 5.313 7.806 2.048 1.00 0.00 C ATOM 60 C ILE A 16 5.725 8.142 3.476 1.00 0.00 C ATOM 61 O ILE A 16 6.512 9.060 3.705 1.00 0.00 O ATOM 62 CB ILE A 16 3.914 8.388 1.776 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.574 8.285 0.287 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.840 9.834 2.244 1.00 0.00 C ATOM 65 CD1 ILE A 16 2.127 8.587 -0.031 1.00 0.00 C ATOM 0 H ILE A 16 4.430 5.932 1.726 1.00 0.00 H new ATOM 0 HA ILE A 16 6.024 8.255 1.354 1.00 0.00 H new ATOM 0 HB ILE A 16 3.181 7.808 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.210 8.973 -0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.811 7.280 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.844 10.231 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.041 9.881 3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.581 10.428 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.963 8.494 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.484 7.883 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.889 9.603 0.285 1.00 0.00 H new ATOM 77 N LEU A 17 5.187 7.394 4.433 1.00 0.00 N ATOM 78 CA LEU A 17 5.548 7.567 5.835 1.00 0.00 C ATOM 79 C LEU A 17 7.045 7.374 6.046 1.00 0.00 C ATOM 80 O LEU A 17 7.708 8.213 6.655 1.00 0.00 O ATOM 81 CB LEU A 17 4.756 6.589 6.711 1.00 0.00 C ATOM 82 CG LEU A 17 5.032 6.690 8.217 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.606 8.058 8.734 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.287 5.582 8.947 1.00 0.00 C ATOM 0 H LEU A 17 4.498 6.661 4.263 1.00 0.00 H new ATOM 0 HA LEU A 17 5.296 8.587 6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.692 6.754 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.977 5.573 6.385 1.00 0.00 H new ATOM 0 HG LEU A 17 6.100 6.573 8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.805 8.121 9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.167 8.834 8.214 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.540 8.199 8.555 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.484 5.655 10.017 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.217 5.683 8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.626 4.613 8.581 1.00 0.00 H new ATOM 96 N ARG A 18 7.570 6.265 5.538 1.00 0.00 N ATOM 97 CA ARG A 18 9.003 6.002 5.590 1.00 0.00 C ATOM 98 C ARG A 18 9.795 7.145 4.967 1.00 0.00 C ATOM 99 O ARG A 18 10.798 7.594 5.523 1.00 0.00 O ATOM 100 CB ARG A 18 9.366 4.666 4.958 1.00 0.00 C ATOM 101 CG ARG A 18 10.850 4.341 4.957 1.00 0.00 C ATOM 102 CD ARG A 18 11.184 3.000 4.412 1.00 0.00 C ATOM 103 NE ARG A 18 12.608 2.737 4.286 1.00 0.00 N ATOM 104 CZ ARG A 18 13.137 1.570 3.871 1.00 0.00 C ATOM 105 NH1 ARG A 18 12.369 0.544 3.579 1.00 0.00 N ATOM 106 NH2 ARG A 18 14.453 1.474 3.790 1.00 0.00 N ATOM 0 H ARG A 18 7.024 5.533 5.085 1.00 0.00 H new ATOM 0 HA ARG A 18 9.278 5.938 6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.836 3.874 5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.006 4.658 3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.375 5.098 4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.225 4.408 5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.743 2.240 5.057 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.720 2.895 3.431 1.00 0.00 H new ATOM 0 HE ARG A 18 13.252 3.490 4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.356 0.624 3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.786 -0.333 3.266 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.039 2.271 4.039 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.883 0.603 3.479 1.00 0.00 H new ATOM 120 N TYR A 19 9.340 7.613 3.809 1.00 0.00 N ATOM 121 CA TYR A 19 9.979 8.735 3.132 1.00 0.00 C ATOM 122 C TYR A 19 10.047 9.958 4.037 1.00 0.00 C ATOM 123 O TYR A 19 11.097 10.584 4.172 1.00 0.00 O ATOM 124 CB TYR A 19 9.230 9.077 1.842 1.00 0.00 C ATOM 125 CG TYR A 19 9.701 10.353 1.180 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.905 10.395 0.491 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.940 11.511 1.244 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.341 11.558 -0.115 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.366 12.679 0.641 1.00 0.00 C ATOM 130 CZ TYR A 19 10.567 12.699 -0.038 1.00 0.00 C ATOM 131 OH TYR A 19 10.994 13.859 -0.640 1.00 0.00 O ATOM 0 H TYR A 19 8.530 7.232 3.320 1.00 0.00 H new ATOM 0 HA TYR A 19 10.998 8.439 2.883 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.342 8.252 1.139 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.166 9.165 2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.512 9.504 0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.999 11.499 1.774 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.281 11.574 -0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.762 13.572 0.701 1.00 0.00 H new ATOM 0 HH TYR A 19 11.026 14.579 0.024 1.00 0.00 H new ATOM 141 N LEU A 20 8.919 10.293 4.656 1.00 0.00 N ATOM 142 CA LEU A 20 8.832 11.480 5.498 1.00 0.00 C ATOM 143 C LEU A 20 9.732 11.355 6.720 1.00 0.00 C ATOM 144 O LEU A 20 10.307 12.342 7.183 1.00 0.00 O ATOM 145 CB LEU A 20 7.380 11.719 5.929 1.00 0.00 C ATOM 146 CG LEU A 20 6.427 12.146 4.804 1.00 0.00 C ATOM 147 CD1 LEU A 20 4.990 12.143 5.307 1.00 0.00 C ATOM 148 CD2 LEU A 20 6.820 13.528 4.304 1.00 0.00 C ATOM 0 H LEU A 20 8.053 9.759 4.590 1.00 0.00 H new ATOM 0 HA LEU A 20 9.174 12.334 4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.997 10.804 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.369 12.486 6.704 1.00 0.00 H new ATOM 0 HG LEU A 20 6.500 11.439 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.322 12.447 4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.723 11.140 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.895 12.839 6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.144 13.832 3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.757 14.243 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.841 13.501 3.924 1.00 0.00 H new ATOM 160 N GLN A 21 9.853 10.138 7.239 1.00 0.00 N ATOM 161 CA GLN A 21 10.670 9.886 8.420 1.00 0.00 C ATOM 162 C GLN A 21 12.155 9.966 8.091 1.00 0.00 C ATOM 163 O GLN A 21 12.943 10.512 8.863 1.00 0.00 O ATOM 164 CB GLN A 21 10.345 8.513 9.013 1.00 0.00 C ATOM 165 CG GLN A 21 9.003 8.442 9.722 1.00 0.00 C ATOM 166 CD GLN A 21 8.687 7.047 10.226 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.415 6.090 9.945 1.00 0.00 O ATOM 168 NE2 GLN A 21 7.595 6.920 10.971 1.00 0.00 N ATOM 0 H GLN A 21 9.395 9.309 6.860 1.00 0.00 H new ATOM 0 HA GLN A 21 10.438 10.658 9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.361 7.772 8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.130 8.239 9.717 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.002 9.137 10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.217 8.765 9.039 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.022 7.738 11.179 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.330 6.005 11.335 1.00 0.00 H new ATOM 177 N GLU A 22 12.531 9.418 6.941 1.00 0.00 N ATOM 178 CA GLU A 22 13.927 9.389 6.526 1.00 0.00 C ATOM 179 C GLU A 22 14.424 10.783 6.164 1.00 0.00 C ATOM 180 O GLU A 22 15.582 11.122 6.401 1.00 0.00 O ATOM 181 CB GLU A 22 14.116 8.440 5.340 1.00 0.00 C ATOM 182 CG GLU A 22 14.038 6.963 5.700 1.00 0.00 C ATOM 183 CD GLU A 22 14.220 6.095 4.486 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.251 6.624 3.400 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.440 4.918 4.649 1.00 0.00 O ATOM 0 H GLU A 22 11.886 8.987 6.279 1.00 0.00 H new ATOM 0 HA GLU A 22 14.516 9.025 7.368 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.356 8.660 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.084 8.639 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.804 6.725 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.074 6.749 6.161 1.00 0.00 H new ATOM 192 N GLN A 23 13.538 11.589 5.586 1.00 0.00 N ATOM 193 CA GLN A 23 13.886 12.946 5.182 1.00 0.00 C ATOM 194 C GLN A 23 13.809 13.909 6.361 1.00 0.00 C ATOM 195 O GLN A 23 14.604 14.843 6.464 1.00 0.00 O ATOM 196 CB GLN A 23 12.960 13.425 4.062 1.00 0.00 C ATOM 197 CG GLN A 23 13.094 12.645 2.766 1.00 0.00 C ATOM 198 CD GLN A 23 14.510 12.669 2.220 1.00 0.00 C ATOM 199 OE1 GLN A 23 15.133 13.730 2.120 1.00 0.00 O ATOM 200 NE2 GLN A 23 15.023 11.499 1.860 1.00 0.00 N ATOM 0 H GLN A 23 12.573 11.325 5.387 1.00 0.00 H new ATOM 0 HA GLN A 23 14.913 12.930 4.816 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.928 13.360 4.407 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.164 14.477 3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.790 11.612 2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.414 13.061 2.023 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.471 10.647 1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 23 15.969 11.452 1.483 1.00 0.00 H new ATOM 209 N ASN A 24 12.848 13.675 7.247 1.00 0.00 N ATOM 210 CA ASN A 24 12.650 14.535 8.407 1.00 0.00 C ATOM 211 C ASN A 24 12.238 15.941 7.987 1.00 0.00 C ATOM 212 O ASN A 24 12.539 16.917 8.673 1.00 0.00 O ATOM 213 CB ASN A 24 13.893 14.591 9.276 1.00 0.00 C ATOM 214 CG ASN A 24 14.215 13.290 9.956 1.00 0.00 C ATOM 215 OD1 ASN A 24 13.397 12.736 10.699 1.00 0.00 O ATOM 216 ND2 ASN A 24 15.431 12.841 9.771 1.00 0.00 N ATOM 0 H ASN A 24 12.193 12.896 7.184 1.00 0.00 H new ATOM 0 HA ASN A 24 11.843 14.099 8.995 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.742 14.889 8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.761 15.364 10.033 1.00 0.00 H new ATOM 0 HD21 ASN A 24 15.741 11.996 10.251 1.00 0.00 H new ATOM 0 HD22 ASN A 24 16.068 13.336 9.147 1.00 0.00 H new ATOM 223 N ARG A 25 11.548 16.036 6.855 1.00 0.00 N ATOM 224 CA ARG A 25 11.141 17.327 6.313 1.00 0.00 C ATOM 225 C ARG A 25 9.707 17.280 5.801 1.00 0.00 C ATOM 226 O ARG A 25 9.231 16.238 5.353 1.00 0.00 O ATOM 227 CB ARG A 25 12.099 17.827 5.243 1.00 0.00 C ATOM 228 CG ARG A 25 13.510 18.113 5.730 1.00 0.00 C ATOM 229 CD ARG A 25 13.622 19.294 6.624 1.00 0.00 C ATOM 230 NE ARG A 25 14.984 19.644 6.992 1.00 0.00 N ATOM 231 CZ ARG A 25 15.659 19.109 8.028 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.092 18.229 8.824 1.00 0.00 N ATOM 233 NH2 ARG A 25 16.900 19.511 8.239 1.00 0.00 N ATOM 0 H ARG A 25 11.259 15.234 6.295 1.00 0.00 H new ATOM 0 HA ARG A 25 11.180 18.046 7.131 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.149 17.086 4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.689 18.738 4.806 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.884 17.236 6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.156 18.264 4.865 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.160 20.151 6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.052 19.102 7.533 1.00 0.00 H new ATOM 0 HE ARG A 25 15.463 20.344 6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.127 17.942 8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.617 17.834 9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.322 20.208 7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.436 19.124 9.016 1.00 0.00 H new ATOM 247 N PRO A 26 9.022 18.417 5.870 1.00 0.00 N ATOM 248 CA PRO A 26 7.644 18.511 5.403 1.00 0.00 C ATOM 249 C PRO A 26 7.581 18.567 3.882 1.00 0.00 C ATOM 250 O PRO A 26 8.372 19.260 3.244 1.00 0.00 O ATOM 251 CB PRO A 26 7.117 19.797 6.050 1.00 0.00 C ATOM 252 CG PRO A 26 8.322 20.663 6.193 1.00 0.00 C ATOM 253 CD PRO A 26 9.460 19.719 6.480 1.00 0.00 C ATOM 0 HA PRO A 26 7.045 17.643 5.677 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.358 20.272 5.428 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.656 19.595 7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.505 21.235 5.283 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.195 21.383 7.002 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.392 20.072 6.038 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.633 19.618 7.551 1.00 0.00 H new ATOM 261 N TYR A 27 6.634 17.833 3.308 1.00 0.00 N ATOM 262 CA TYR A 27 6.444 17.824 1.862 1.00 0.00 C ATOM 263 C TYR A 27 4.967 17.898 1.500 1.00 0.00 C ATOM 264 O TYR A 27 4.119 17.334 2.193 1.00 0.00 O ATOM 265 CB TYR A 27 7.072 16.571 1.248 1.00 0.00 C ATOM 266 CG TYR A 27 8.580 16.516 1.374 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.393 17.153 0.450 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.182 15.826 2.416 1.00 0.00 C ATOM 269 CE1 TYR A 27 10.770 17.106 0.559 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.557 15.773 2.536 1.00 0.00 C ATOM 271 CZ TYR A 27 11.348 16.414 1.605 1.00 0.00 C ATOM 272 OH TYR A 27 12.719 16.364 1.718 1.00 0.00 O ATOM 0 H TYR A 27 5.986 17.236 3.822 1.00 0.00 H new ATOM 0 HA TYR A 27 6.939 18.706 1.455 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.645 15.690 1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.803 16.522 0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.943 17.695 -0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.565 15.322 3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.390 17.607 -0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.010 15.233 3.354 1.00 0.00 H new ATOM 0 HH TYR A 27 13.108 17.180 1.341 1.00 0.00 H new ATOM 282 N SER A 28 4.664 18.596 0.411 1.00 0.00 N ATOM 283 CA SER A 28 3.297 18.683 -0.088 1.00 0.00 C ATOM 284 C SER A 28 2.878 17.387 -0.771 1.00 0.00 C ATOM 285 O SER A 28 3.691 16.482 -0.958 1.00 0.00 O ATOM 286 CB SER A 28 3.162 19.851 -1.044 1.00 0.00 C ATOM 287 OG SER A 28 3.777 19.596 -2.277 1.00 0.00 O ATOM 0 H SER A 28 5.348 19.110 -0.144 1.00 0.00 H new ATOM 0 HA SER A 28 2.635 18.844 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.106 20.068 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.605 20.740 -0.595 1.00 0.00 H new ATOM 0 HG SER A 28 3.666 20.372 -2.865 1.00 0.00 H new ATOM 293 N ALA A 29 1.604 17.304 -1.143 1.00 0.00 N ATOM 294 CA ALA A 29 1.096 16.161 -1.890 1.00 0.00 C ATOM 295 C ALA A 29 1.791 16.032 -3.240 1.00 0.00 C ATOM 296 O ALA A 29 2.025 14.926 -3.725 1.00 0.00 O ATOM 297 CB ALA A 29 -0.409 16.274 -2.073 1.00 0.00 C ATOM 0 H ALA A 29 0.904 18.017 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 29 1.311 15.260 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.773 15.413 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.893 16.303 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.641 17.187 -2.621 1.00 0.00 H new ATOM 303 N GLN A 30 2.117 17.170 -3.842 1.00 0.00 N ATOM 304 CA GLN A 30 2.818 17.188 -5.121 1.00 0.00 C ATOM 305 C GLN A 30 4.298 16.870 -4.940 1.00 0.00 C ATOM 306 O GLN A 30 4.909 16.213 -5.782 1.00 0.00 O ATOM 307 CB GLN A 30 2.661 18.550 -5.800 1.00 0.00 C ATOM 308 CG GLN A 30 1.253 18.842 -6.290 1.00 0.00 C ATOM 309 CD GLN A 30 1.134 20.216 -6.921 1.00 0.00 C ATOM 310 OE1 GLN A 30 2.087 21.000 -6.920 1.00 0.00 O ATOM 311 NE2 GLN A 30 -0.041 20.518 -7.461 1.00 0.00 N ATOM 0 H GLN A 30 1.907 18.094 -3.464 1.00 0.00 H new ATOM 0 HA GLN A 30 2.373 16.420 -5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.959 19.330 -5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.347 18.603 -6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.960 18.085 -7.017 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.557 18.768 -5.454 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.802 19.839 -7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.183 21.429 -7.898 1.00 0.00 H new ATOM 320 N ASP A 31 4.869 17.343 -3.837 1.00 0.00 N ATOM 321 CA ASP A 31 6.248 17.022 -3.490 1.00 0.00 C ATOM 322 C ASP A 31 6.440 15.519 -3.328 1.00 0.00 C ATOM 323 O ASP A 31 7.359 14.936 -3.903 1.00 0.00 O ATOM 324 CB ASP A 31 6.661 17.746 -2.208 1.00 0.00 C ATOM 325 CG ASP A 31 6.797 19.257 -2.353 1.00 0.00 C ATOM 326 OD1 ASP A 31 6.891 19.720 -3.465 1.00 0.00 O ATOM 327 OD2 ASP A 31 6.646 19.944 -1.371 1.00 0.00 O ATOM 0 H ASP A 31 4.397 17.951 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 31 6.884 17.361 -4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.926 17.533 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.613 17.339 -1.866 1.00 0.00 H new ATOM 332 N VAL A 32 5.568 14.898 -2.542 1.00 0.00 N ATOM 333 CA VAL A 32 5.666 13.470 -2.268 1.00 0.00 C ATOM 334 C VAL A 32 5.448 12.649 -3.532 1.00 0.00 C ATOM 335 O VAL A 32 6.211 11.730 -3.826 1.00 0.00 O ATOM 336 CB VAL A 32 4.649 13.028 -1.199 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.618 11.511 -1.088 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.983 13.653 0.147 1.00 0.00 C ATOM 0 H VAL A 32 4.784 15.362 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 32 6.674 13.292 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 32 3.660 13.372 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.894 11.216 -0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.331 11.082 -2.048 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.606 11.146 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.254 13.329 0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.980 13.339 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.955 14.739 0.061 1.00 0.00 H new ATOM 348 N PHE A 33 4.402 12.988 -4.278 1.00 0.00 N ATOM 349 CA PHE A 33 4.107 12.312 -5.536 1.00 0.00 C ATOM 350 C PHE A 33 5.285 12.397 -6.497 1.00 0.00 C ATOM 351 O PHE A 33 5.785 11.378 -6.974 1.00 0.00 O ATOM 352 CB PHE A 33 2.856 12.909 -6.182 1.00 0.00 C ATOM 353 CG PHE A 33 2.641 12.471 -7.603 1.00 0.00 C ATOM 354 CD1 PHE A 33 2.252 11.172 -7.893 1.00 0.00 C ATOM 355 CD2 PHE A 33 2.827 13.358 -8.653 1.00 0.00 C ATOM 356 CE1 PHE A 33 2.053 10.768 -9.199 1.00 0.00 C ATOM 357 CE2 PHE A 33 2.628 12.958 -9.961 1.00 0.00 C ATOM 358 CZ PHE A 33 2.241 11.661 -10.233 1.00 0.00 C ATOM 0 H PHE A 33 3.744 13.728 -4.033 1.00 0.00 H new ATOM 0 HA PHE A 33 3.924 11.260 -5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.984 12.631 -5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.927 13.996 -6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.103 10.468 -7.088 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.131 14.373 -8.446 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.750 9.753 -9.410 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.775 13.659 -10.769 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.086 11.346 -11.254 1.00 0.00 H new ATOM 368 N GLY A 34 5.726 13.619 -6.777 1.00 0.00 N ATOM 369 CA GLY A 34 6.760 13.849 -7.780 1.00 0.00 C ATOM 370 C GLY A 34 8.056 13.142 -7.407 1.00 0.00 C ATOM 371 O GLY A 34 8.746 12.593 -8.266 1.00 0.00 O ATOM 0 H GLY A 34 5.383 14.466 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.415 13.493 -8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.942 14.919 -7.880 1.00 0.00 H new ATOM 375 N ASN A 35 8.385 13.160 -6.119 1.00 0.00 N ATOM 376 CA ASN A 35 9.642 12.600 -5.641 1.00 0.00 C ATOM 377 C ASN A 35 9.607 11.077 -5.655 1.00 0.00 C ATOM 378 O ASN A 35 10.626 10.425 -5.883 1.00 0.00 O ATOM 379 CB ASN A 35 9.983 13.104 -4.251 1.00 0.00 C ATOM 380 CG ASN A 35 10.412 14.545 -4.219 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.827 15.113 -5.236 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.394 15.113 -3.040 1.00 0.00 N ATOM 0 H ASN A 35 7.796 13.558 -5.387 1.00 0.00 H new ATOM 0 HA ASN A 35 10.423 12.934 -6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.114 12.978 -3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.780 12.487 -3.836 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.733 16.069 -2.929 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.041 14.600 -2.232 1.00 0.00 H new ATOM 389 N LEU A 36 8.428 10.515 -5.408 1.00 0.00 N ATOM 390 CA LEU A 36 8.264 9.067 -5.365 1.00 0.00 C ATOM 391 C LEU A 36 7.772 8.529 -6.702 1.00 0.00 C ATOM 392 O LEU A 36 7.641 7.317 -6.884 1.00 0.00 O ATOM 393 CB LEU A 36 7.293 8.677 -4.243 1.00 0.00 C ATOM 394 CG LEU A 36 7.720 9.103 -2.833 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.651 8.709 -1.822 1.00 0.00 C ATOM 396 CD2 LEU A 36 9.053 8.456 -2.487 1.00 0.00 C ATOM 0 H LEU A 36 7.572 11.041 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 36 9.238 8.622 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.319 9.116 -4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.165 7.595 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 36 7.837 10.186 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.964 9.016 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.712 9.201 -2.075 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.512 7.628 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.355 8.759 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.951 7.371 -2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.809 8.773 -3.206 1.00 0.00 H new ATOM 408 N GLN A 37 7.502 9.434 -7.636 1.00 0.00 N ATOM 409 CA GLN A 37 7.032 9.050 -8.962 1.00 0.00 C ATOM 410 C GLN A 37 8.077 8.226 -9.701 1.00 0.00 C ATOM 411 O GLN A 37 7.757 7.217 -10.329 1.00 0.00 O ATOM 412 CB GLN A 37 6.677 10.292 -9.784 1.00 0.00 C ATOM 413 CG GLN A 37 6.144 9.987 -11.173 1.00 0.00 C ATOM 414 CD GLN A 37 5.813 11.243 -11.956 1.00 0.00 C ATOM 415 OE1 GLN A 37 6.063 12.361 -11.496 1.00 0.00 O ATOM 416 NE2 GLN A 37 5.244 11.068 -13.143 1.00 0.00 N ATOM 0 H GLN A 37 7.601 10.440 -7.499 1.00 0.00 H new ATOM 0 HA GLN A 37 6.140 8.438 -8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.932 10.873 -9.241 1.00 0.00 H new ATOM 0 HB3 GLN A 37 7.564 10.918 -9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.883 9.404 -11.723 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.250 9.369 -11.088 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.055 10.125 -13.484 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.996 11.876 -13.714 1.00 0.00 H new ATOM 425 N LYS A 38 9.330 8.661 -9.621 1.00 0.00 N ATOM 426 CA LYS A 38 10.411 8.026 -10.368 1.00 0.00 C ATOM 427 C LYS A 38 11.105 6.960 -9.530 1.00 0.00 C ATOM 428 O LYS A 38 11.876 6.153 -10.051 1.00 0.00 O ATOM 429 CB LYS A 38 11.425 9.071 -10.835 1.00 0.00 C ATOM 430 CG LYS A 38 10.874 10.080 -11.834 1.00 0.00 C ATOM 431 CD LYS A 38 11.935 11.092 -12.240 1.00 0.00 C ATOM 432 CE LYS A 38 11.393 12.086 -13.257 1.00 0.00 C ATOM 433 NZ LYS A 38 12.426 13.070 -13.678 1.00 0.00 N ATOM 0 H LYS A 38 9.623 9.451 -9.046 1.00 0.00 H new ATOM 0 HA LYS A 38 9.974 7.542 -11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.802 9.608 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.275 8.559 -11.286 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.510 9.557 -12.718 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.021 10.599 -11.397 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.287 11.627 -11.358 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.795 10.571 -12.661 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.027 11.547 -14.131 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.541 12.615 -12.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.016 13.729 -14.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.757 13.602 -12.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.228 12.568 -14.110 1.00 0.00 H new ATOM 447 N GLU A 39 10.827 6.961 -8.231 1.00 0.00 N ATOM 448 CA GLU A 39 11.499 6.058 -7.303 1.00 0.00 C ATOM 449 C GLU A 39 10.658 4.815 -7.039 1.00 0.00 C ATOM 450 O GLU A 39 11.191 3.719 -6.868 1.00 0.00 O ATOM 451 CB GLU A 39 11.807 6.775 -5.987 1.00 0.00 C ATOM 452 CG GLU A 39 12.794 7.926 -6.114 1.00 0.00 C ATOM 453 CD GLU A 39 13.044 8.581 -4.783 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.461 8.156 -3.815 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.901 9.429 -4.713 1.00 0.00 O ATOM 0 H GLU A 39 10.140 7.577 -7.796 1.00 0.00 H new ATOM 0 HA GLU A 39 12.436 5.744 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.875 7.156 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.203 6.050 -5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.735 7.558 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.408 8.663 -6.818 1.00 0.00 H new ATOM 462 N HIS A 40 9.342 4.993 -7.006 1.00 0.00 N ATOM 463 CA HIS A 40 8.431 3.908 -6.664 1.00 0.00 C ATOM 464 C HIS A 40 7.325 3.769 -7.702 1.00 0.00 C ATOM 465 O HIS A 40 6.875 2.662 -7.998 1.00 0.00 O ATOM 466 CB HIS A 40 7.820 4.131 -5.276 1.00 0.00 C ATOM 467 CG HIS A 40 8.819 4.071 -4.162 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.528 5.176 -3.739 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.229 3.040 -3.387 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.331 4.825 -2.748 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.168 3.536 -2.517 1.00 0.00 N ATOM 0 H HIS A 40 8.882 5.880 -7.212 1.00 0.00 H new ATOM 0 HA HIS A 40 9.009 2.984 -6.652 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.327 5.103 -5.258 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.050 3.379 -5.103 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.882 2.019 -3.443 1.00 0.00 H new ATOM 0 HE1 HIS A 40 11.005 5.482 -2.218 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.661 2.995 -1.806 1.00 0.00 H new ATOM 479 N GLY A 41 6.892 4.898 -8.252 1.00 0.00 N ATOM 480 CA GLY A 41 5.872 4.901 -9.294 1.00 0.00 C ATOM 481 C GLY A 41 4.473 4.961 -8.697 1.00 0.00 C ATOM 482 O GLY A 41 3.531 4.381 -9.237 1.00 0.00 O ATOM 0 H GLY A 41 7.232 5.824 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.025 5.755 -9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.971 4.004 -9.905 1.00 0.00 H new ATOM 486 N LEU A 42 4.343 5.667 -7.579 1.00 0.00 N ATOM 487 CA LEU A 42 3.049 5.844 -6.931 1.00 0.00 C ATOM 488 C LEU A 42 2.173 6.820 -7.706 1.00 0.00 C ATOM 489 O LEU A 42 2.653 7.836 -8.209 1.00 0.00 O ATOM 490 CB LEU A 42 3.241 6.329 -5.488 1.00 0.00 C ATOM 491 CG LEU A 42 3.978 5.352 -4.563 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.163 5.975 -3.187 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.191 4.053 -4.466 1.00 0.00 C ATOM 0 H LEU A 42 5.119 6.126 -7.102 1.00 0.00 H new ATOM 0 HA LEU A 42 2.543 4.879 -6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.791 7.270 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.261 6.541 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 42 4.964 5.135 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.687 5.274 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.747 6.891 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.188 6.207 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.715 3.359 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.200 4.258 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.095 3.611 -5.458 1.00 0.00 H new ATOM 505 N GLY A 43 0.886 6.505 -7.799 1.00 0.00 N ATOM 506 CA GLY A 43 -0.060 7.351 -8.518 1.00 0.00 C ATOM 507 C GLY A 43 -0.432 8.580 -7.699 1.00 0.00 C ATOM 508 O GLY A 43 -0.274 8.597 -6.479 1.00 0.00 O ATOM 0 H GLY A 43 0.473 5.669 -7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.375 7.662 -9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.959 6.780 -8.751 1.00 0.00 H new ATOM 512 N LYS A 44 -0.929 9.609 -8.378 1.00 0.00 N ATOM 513 CA LYS A 44 -1.308 10.852 -7.717 1.00 0.00 C ATOM 514 C LYS A 44 -2.413 10.617 -6.694 1.00 0.00 C ATOM 515 O LYS A 44 -2.314 11.057 -5.549 1.00 0.00 O ATOM 516 CB LYS A 44 -1.757 11.890 -8.746 1.00 0.00 C ATOM 517 CG LYS A 44 -2.139 13.240 -8.153 1.00 0.00 C ATOM 518 CD LYS A 44 -2.537 14.229 -9.238 1.00 0.00 C ATOM 519 CE LYS A 44 -2.965 15.562 -8.643 1.00 0.00 C ATOM 520 NZ LYS A 44 -3.386 16.531 -9.691 1.00 0.00 N ATOM 0 H LYS A 44 -1.079 9.606 -9.387 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.432 11.231 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.954 12.038 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.611 11.493 -9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.966 13.112 -7.454 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.300 13.640 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.698 14.384 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.353 13.814 -9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.788 15.401 -7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.140 15.984 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.670 17.426 -9.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.593 16.705 -10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.190 16.140 -10.223 1.00 0.00 H new ATOM 534 N ALA A 45 -3.464 9.922 -7.115 1.00 0.00 N ATOM 535 CA ALA A 45 -4.573 9.597 -6.225 1.00 0.00 C ATOM 536 C ALA A 45 -4.126 8.670 -5.103 1.00 0.00 C ATOM 537 O ALA A 45 -4.608 8.767 -3.975 1.00 0.00 O ATOM 538 CB ALA A 45 -5.716 8.971 -7.011 1.00 0.00 C ATOM 0 H ALA A 45 -3.571 9.573 -8.067 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.925 10.524 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.536 8.734 -6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.063 9.673 -7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.368 8.058 -7.494 1.00 0.00 H new ATOM 544 N ALA A 46 -3.200 7.771 -5.418 1.00 0.00 N ATOM 545 CA ALA A 46 -2.674 6.834 -4.433 1.00 0.00 C ATOM 546 C ALA A 46 -1.922 7.563 -3.326 1.00 0.00 C ATOM 547 O ALA A 46 -2.059 7.235 -2.149 1.00 0.00 O ATOM 548 CB ALA A 46 -1.772 5.809 -5.104 1.00 0.00 C ATOM 0 H ALA A 46 -2.798 7.672 -6.350 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.518 6.314 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.387 5.117 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.342 5.256 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.939 6.319 -5.588 1.00 0.00 H new ATOM 554 N VAL A 47 -1.127 8.555 -3.714 1.00 0.00 N ATOM 555 CA VAL A 47 -0.361 9.341 -2.753 1.00 0.00 C ATOM 556 C VAL A 47 -1.278 10.166 -1.861 1.00 0.00 C ATOM 557 O VAL A 47 -1.111 10.195 -0.641 1.00 0.00 O ATOM 558 CB VAL A 47 0.634 10.282 -3.460 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.220 11.277 -2.470 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.742 9.482 -4.128 1.00 0.00 C ATOM 0 H VAL A 47 -0.996 8.834 -4.686 1.00 0.00 H new ATOM 0 HA VAL A 47 0.195 8.632 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 47 0.097 10.836 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.921 11.934 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.418 11.873 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.742 10.739 -1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.435 10.163 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.277 8.903 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.309 8.806 -4.866 1.00 0.00 H new ATOM 570 N VAL A 48 -2.247 10.836 -2.474 1.00 0.00 N ATOM 571 CA VAL A 48 -3.165 11.699 -1.740 1.00 0.00 C ATOM 572 C VAL A 48 -4.029 10.894 -0.777 1.00 0.00 C ATOM 573 O VAL A 48 -4.232 11.292 0.370 1.00 0.00 O ATOM 574 CB VAL A 48 -4.080 12.492 -2.694 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.167 13.214 -1.911 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.266 13.482 -3.512 1.00 0.00 C ATOM 0 H VAL A 48 -2.417 10.798 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.551 12.399 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.556 11.790 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.804 13.769 -2.600 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.769 12.486 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.708 13.905 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.928 14.033 -4.180 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.763 14.180 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.523 12.944 -4.100 1.00 0.00 H new ATOM 586 N LYS A 49 -4.533 9.759 -1.250 1.00 0.00 N ATOM 587 CA LYS A 49 -5.349 8.880 -0.421 1.00 0.00 C ATOM 588 C LYS A 49 -4.518 8.226 0.674 1.00 0.00 C ATOM 589 O LYS A 49 -5.001 8.002 1.784 1.00 0.00 O ATOM 590 CB LYS A 49 -6.024 7.809 -1.280 1.00 0.00 C ATOM 591 CG LYS A 49 -7.137 8.332 -2.178 1.00 0.00 C ATOM 592 CD LYS A 49 -7.735 7.216 -3.023 1.00 0.00 C ATOM 593 CE LYS A 49 -8.834 7.741 -3.936 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.428 6.661 -4.769 1.00 0.00 N ATOM 0 H LYS A 49 -4.390 9.426 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.118 9.489 0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.268 7.329 -1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.433 7.040 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.917 8.787 -1.567 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.745 9.114 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.952 6.752 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.140 6.441 -2.372 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.615 8.206 -3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.427 8.517 -4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.172 7.060 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.689 6.234 -5.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.839 5.932 -4.151 1.00 0.00 H new ATOM 608 N ALA A 50 -3.264 7.921 0.357 1.00 0.00 N ATOM 609 CA ALA A 50 -2.339 7.362 1.335 1.00 0.00 C ATOM 610 C ALA A 50 -2.030 8.366 2.438 1.00 0.00 C ATOM 611 O ALA A 50 -1.891 7.998 3.605 1.00 0.00 O ATOM 612 CB ALA A 50 -1.057 6.907 0.653 1.00 0.00 C ATOM 0 H ALA A 50 -2.865 8.052 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.817 6.497 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.377 6.492 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.291 6.145 -0.090 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.584 7.758 0.163 1.00 0.00 H new ATOM 618 N LEU A 51 -1.923 9.636 2.062 1.00 0.00 N ATOM 619 CA LEU A 51 -1.719 10.707 3.030 1.00 0.00 C ATOM 620 C LEU A 51 -2.921 10.851 3.954 1.00 0.00 C ATOM 621 O LEU A 51 -2.770 11.064 5.157 1.00 0.00 O ATOM 622 CB LEU A 51 -1.442 12.030 2.305 1.00 0.00 C ATOM 623 CG LEU A 51 -0.070 12.127 1.624 1.00 0.00 C ATOM 624 CD1 LEU A 51 -0.022 13.350 0.718 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.020 12.196 2.683 1.00 0.00 C ATOM 0 H LEU A 51 -1.974 9.949 1.093 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.854 10.450 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.215 12.182 1.552 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.532 12.845 3.023 1.00 0.00 H new ATOM 0 HG LEU A 51 0.095 11.242 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.955 13.410 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.795 13.268 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.192 14.249 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.994 12.265 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.863 13.074 3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.985 11.299 3.301 1.00 0.00 H new ATOM 637 N ASP A 52 -4.116 10.733 3.385 1.00 0.00 N ATOM 638 CA ASP A 52 -5.344 10.754 4.170 1.00 0.00 C ATOM 639 C ASP A 52 -5.423 9.553 5.103 1.00 0.00 C ATOM 640 O ASP A 52 -5.886 9.664 6.238 1.00 0.00 O ATOM 641 CB ASP A 52 -6.568 10.787 3.252 1.00 0.00 C ATOM 642 CG ASP A 52 -6.799 12.124 2.559 1.00 0.00 C ATOM 643 OD1 ASP A 52 -6.182 13.087 2.949 1.00 0.00 O ATOM 644 OD2 ASP A 52 -7.467 12.140 1.553 1.00 0.00 O ATOM 0 H ASP A 52 -4.260 10.622 2.381 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.333 11.658 4.778 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.459 10.012 2.493 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.453 10.537 3.837 1.00 0.00 H new ATOM 649 N GLN A 53 -4.966 8.403 4.618 1.00 0.00 N ATOM 650 CA GLN A 53 -4.942 7.187 5.423 1.00 0.00 C ATOM 651 C GLN A 53 -3.974 7.319 6.592 1.00 0.00 C ATOM 652 O GLN A 53 -4.292 6.939 7.719 1.00 0.00 O ATOM 653 CB GLN A 53 -4.550 5.982 4.563 1.00 0.00 C ATOM 654 CG GLN A 53 -4.610 4.651 5.292 1.00 0.00 C ATOM 655 CD GLN A 53 -6.017 4.297 5.737 1.00 0.00 C ATOM 656 OE1 GLN A 53 -6.997 4.616 5.058 1.00 0.00 O ATOM 657 NE2 GLN A 53 -6.125 3.639 6.886 1.00 0.00 N ATOM 0 H GLN A 53 -4.607 8.288 3.670 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.945 7.034 5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.209 5.939 3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.538 6.132 4.187 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.230 3.865 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.955 4.687 6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.288 3.395 7.415 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.045 3.377 7.239 1.00 0.00 H new ATOM 666 N LEU A 54 -2.792 7.860 6.317 1.00 0.00 N ATOM 667 CA LEU A 54 -1.779 8.052 7.347 1.00 0.00 C ATOM 668 C LEU A 54 -2.243 9.054 8.396 1.00 0.00 C ATOM 669 O LEU A 54 -2.025 8.861 9.593 1.00 0.00 O ATOM 670 CB LEU A 54 -0.460 8.513 6.714 1.00 0.00 C ATOM 671 CG LEU A 54 0.269 7.455 5.877 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.402 8.099 5.091 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.801 6.361 6.792 1.00 0.00 C ATOM 0 H LEU A 54 -2.512 8.174 5.388 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.617 7.096 7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.662 9.377 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.208 8.848 7.508 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.428 7.011 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.913 7.339 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.996 8.862 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.109 8.558 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.319 5.609 6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.494 6.795 7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.029 5.895 7.323 1.00 0.00 H new ATOM 685 N ALA A 55 -2.883 10.126 7.941 1.00 0.00 N ATOM 686 CA ALA A 55 -3.404 11.148 8.841 1.00 0.00 C ATOM 687 C ALA A 55 -4.509 10.589 9.729 1.00 0.00 C ATOM 688 O ALA A 55 -4.580 10.899 10.918 1.00 0.00 O ATOM 689 CB ALA A 55 -3.910 12.344 8.050 1.00 0.00 C ATOM 0 H ALA A 55 -3.053 10.310 6.952 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.589 11.475 9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.296 13.098 8.737 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.092 12.768 7.468 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.706 12.025 7.377 1.00 0.00 H new ATOM 695 N GLN A 56 -5.368 9.761 9.145 1.00 0.00 N ATOM 696 CA GLN A 56 -6.435 9.109 9.895 1.00 0.00 C ATOM 697 C GLN A 56 -5.870 8.166 10.950 1.00 0.00 C ATOM 698 O GLN A 56 -6.440 8.015 12.029 1.00 0.00 O ATOM 699 CB GLN A 56 -7.358 8.335 8.950 1.00 0.00 C ATOM 700 CG GLN A 56 -8.572 7.724 9.630 1.00 0.00 C ATOM 701 CD GLN A 56 -9.489 8.772 10.229 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.799 9.784 9.592 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.928 8.540 11.461 1.00 0.00 N ATOM 0 H GLN A 56 -5.346 9.525 8.153 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.009 9.887 10.399 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.697 9.006 8.160 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.786 7.541 8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.129 7.129 8.906 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.241 7.044 10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.647 7.691 11.951 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.546 9.211 11.917 1.00 0.00 H new ATOM 712 N GLU A 57 -4.747 7.533 10.628 1.00 0.00 N ATOM 713 CA GLU A 57 -4.112 6.590 11.541 1.00 0.00 C ATOM 714 C GLU A 57 -3.233 7.310 12.556 1.00 0.00 C ATOM 715 O GLU A 57 -2.687 6.690 13.468 1.00 0.00 O ATOM 716 CB GLU A 57 -3.283 5.565 10.762 1.00 0.00 C ATOM 717 CG GLU A 57 -4.106 4.607 9.912 1.00 0.00 C ATOM 718 CD GLU A 57 -3.231 3.809 8.986 1.00 0.00 C ATOM 719 OE1 GLU A 57 -2.043 4.023 8.991 1.00 0.00 O ATOM 720 OE2 GLU A 57 -3.733 2.909 8.355 1.00 0.00 O ATOM 0 H GLU A 57 -4.258 7.656 9.741 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.902 6.070 12.083 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.584 6.096 10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.687 4.986 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.665 3.932 10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.837 5.169 9.331 1.00 0.00 H new ATOM 727 N GLY A 58 -3.102 8.622 12.391 1.00 0.00 N ATOM 728 CA GLY A 58 -2.379 9.446 13.352 1.00 0.00 C ATOM 729 C GLY A 58 -0.874 9.254 13.220 1.00 0.00 C ATOM 730 O GLY A 58 -0.135 9.378 14.197 1.00 0.00 O ATOM 0 H GLY A 58 -3.488 9.138 11.600 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.629 10.495 13.196 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.694 9.190 14.364 1.00 0.00 H new ATOM 734 N LYS A 59 -0.425 8.951 12.008 1.00 0.00 N ATOM 735 CA LYS A 59 0.985 8.674 11.759 1.00 0.00 C ATOM 736 C LYS A 59 1.689 9.891 11.170 1.00 0.00 C ATOM 737 O LYS A 59 2.883 10.095 11.390 1.00 0.00 O ATOM 738 CB LYS A 59 1.139 7.474 10.824 1.00 0.00 C ATOM 739 CG LYS A 59 0.696 6.147 11.426 1.00 0.00 C ATOM 740 CD LYS A 59 0.786 5.020 10.408 1.00 0.00 C ATOM 741 CE LYS A 59 0.394 3.685 11.024 1.00 0.00 C ATOM 742 NZ LYS A 59 0.193 2.633 9.990 1.00 0.00 N ATOM 0 H LYS A 59 -1.018 8.891 11.180 1.00 0.00 H new ATOM 0 HA LYS A 59 1.452 8.439 12.715 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.562 7.659 9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.184 7.393 10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.319 5.911 12.289 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.329 6.233 11.787 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.134 5.238 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.802 4.959 10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.169 3.365 11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.523 3.807 11.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.027 1.717 10.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.629 2.877 9.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.040 2.569 9.391 1.00 0.00 H new ATOM 756 N ILE A 60 0.943 10.695 10.421 1.00 0.00 N ATOM 757 CA ILE A 60 1.452 11.965 9.918 1.00 0.00 C ATOM 758 C ILE A 60 0.546 13.121 10.320 1.00 0.00 C ATOM 759 O ILE A 60 -0.617 12.918 10.672 1.00 0.00 O ATOM 760 CB ILE A 60 1.598 11.948 8.385 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.223 11.838 7.721 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.497 10.802 7.949 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.256 12.006 6.219 1.00 0.00 C ATOM 0 H ILE A 60 -0.018 10.489 10.148 1.00 0.00 H new ATOM 0 HA ILE A 60 2.436 12.108 10.365 1.00 0.00 H new ATOM 0 HB ILE A 60 2.059 12.884 8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.208 10.866 7.959 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.438 12.593 8.147 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.589 10.805 6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.483 10.922 8.397 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.064 9.856 8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.754 11.915 5.820 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.657 12.989 5.972 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.889 11.235 5.780 1.00 0.00 H new ATOM 775 N LYS A 61 1.084 14.335 10.268 1.00 0.00 N ATOM 776 CA LYS A 61 0.292 15.536 10.502 1.00 0.00 C ATOM 777 C LYS A 61 0.305 16.451 9.284 1.00 0.00 C ATOM 778 O LYS A 61 1.107 16.269 8.368 1.00 0.00 O ATOM 779 CB LYS A 61 0.808 16.287 11.730 1.00 0.00 C ATOM 780 CG LYS A 61 0.629 15.541 13.046 1.00 0.00 C ATOM 781 CD LYS A 61 1.354 16.244 14.183 1.00 0.00 C ATOM 782 CE LYS A 61 1.139 15.524 15.506 1.00 0.00 C ATOM 783 NZ LYS A 61 1.962 16.109 16.598 1.00 0.00 N ATOM 0 H LYS A 61 2.068 14.513 10.065 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.737 15.226 10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.867 16.503 11.590 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.294 17.246 11.797 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.433 15.464 13.281 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.008 14.524 12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.420 16.292 13.962 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.998 17.271 14.264 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.085 15.575 15.779 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.388 14.469 15.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.761 15.612 17.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.970 16.008 16.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.731 17.117 16.705 1.00 0.00 H new ATOM 797 N GLU A 62 -0.589 17.434 9.280 1.00 0.00 N ATOM 798 CA GLU A 62 -0.748 18.320 8.132 1.00 0.00 C ATOM 799 C GLU A 62 -0.869 19.773 8.571 1.00 0.00 C ATOM 800 O GLU A 62 -1.440 20.069 9.621 1.00 0.00 O ATOM 801 CB GLU A 62 -1.974 17.915 7.310 1.00 0.00 C ATOM 802 CG GLU A 62 -3.307 18.282 7.945 1.00 0.00 C ATOM 803 CD GLU A 62 -4.461 17.845 7.086 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.242 17.093 6.168 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.577 18.173 7.414 1.00 0.00 O ATOM 0 H GLU A 62 -1.215 17.638 10.059 1.00 0.00 H new ATOM 0 HA GLU A 62 0.143 18.225 7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.911 18.387 6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.947 16.837 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.385 17.815 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.354 19.360 8.100 1.00 0.00 H new ATOM 812 N LYS A 63 -0.327 20.677 7.761 1.00 0.00 N ATOM 813 CA LYS A 63 -0.536 22.107 7.960 1.00 0.00 C ATOM 814 C LYS A 63 -1.208 22.739 6.749 1.00 0.00 C ATOM 815 O LYS A 63 -0.937 22.361 5.609 1.00 0.00 O ATOM 816 CB LYS A 63 0.793 22.806 8.250 1.00 0.00 C ATOM 817 CG LYS A 63 1.419 22.440 9.589 1.00 0.00 C ATOM 818 CD LYS A 63 2.719 23.197 9.818 1.00 0.00 C ATOM 819 CE LYS A 63 3.337 22.842 11.162 1.00 0.00 C ATOM 820 NZ LYS A 63 4.593 23.598 11.414 1.00 0.00 N ATOM 0 H LYS A 63 0.261 20.445 6.960 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.196 22.232 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.498 22.563 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.636 23.884 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.719 22.664 10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.610 21.367 9.622 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.423 22.965 9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.530 24.270 9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.622 23.052 11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.545 21.772 11.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.982 23.327 12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.286 23.378 10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.391 24.618 11.409 1.00 0.00 H new ATOM 834 N THR A 64 -2.086 23.703 7.002 1.00 0.00 N ATOM 835 CA THR A 64 -2.845 24.348 5.936 1.00 0.00 C ATOM 836 C THR A 64 -2.133 25.597 5.433 1.00 0.00 C ATOM 837 O THR A 64 -1.848 26.514 6.202 1.00 0.00 O ATOM 838 CB THR A 64 -4.262 24.730 6.402 1.00 0.00 C ATOM 839 OG1 THR A 64 -4.970 23.550 6.803 1.00 0.00 O ATOM 840 CG2 THR A 64 -5.025 25.417 5.281 1.00 0.00 C ATOM 0 H THR A 64 -2.290 24.056 7.937 1.00 0.00 H new ATOM 0 HA THR A 64 -2.923 23.625 5.124 1.00 0.00 H new ATOM 0 HB THR A 64 -4.178 25.416 7.245 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.871 23.795 7.101 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.024 25.680 5.629 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.496 26.321 4.982 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.103 24.743 4.428 1.00 0.00 H new ATOM 848 N TYR A 65 -1.848 25.626 4.135 1.00 0.00 N ATOM 849 CA TYR A 65 -1.216 26.785 3.515 1.00 0.00 C ATOM 850 C TYR A 65 -2.037 27.299 2.341 1.00 0.00 C ATOM 851 O TYR A 65 -1.695 27.066 1.181 1.00 0.00 O ATOM 852 CB TYR A 65 0.201 26.438 3.054 1.00 0.00 C ATOM 853 CG TYR A 65 1.137 26.058 4.179 1.00 0.00 C ATOM 854 CD1 TYR A 65 1.790 27.031 4.920 1.00 0.00 C ATOM 855 CD2 TYR A 65 1.367 24.728 4.496 1.00 0.00 C ATOM 856 CE1 TYR A 65 2.647 26.692 5.949 1.00 0.00 C ATOM 857 CE2 TYR A 65 2.220 24.375 5.524 1.00 0.00 C ATOM 858 CZ TYR A 65 2.859 25.361 6.248 1.00 0.00 C ATOM 859 OH TYR A 65 3.712 25.016 7.271 1.00 0.00 O ATOM 0 H TYR A 65 -2.045 24.859 3.492 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.162 27.575 4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.149 25.613 2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.618 27.292 2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.626 28.073 4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.871 23.954 3.929 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.148 27.463 6.516 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.386 23.334 5.759 1.00 0.00 H new ATOM 0 HH TYR A 65 3.706 25.719 7.953 1.00 0.00 H new ATOM 869 N GLY A 66 -3.125 27.999 2.646 1.00 0.00 N ATOM 870 CA GLY A 66 -4.044 28.474 1.619 1.00 0.00 C ATOM 871 C GLY A 66 -4.956 27.353 1.136 1.00 0.00 C ATOM 872 O GLY A 66 -5.733 26.795 1.912 1.00 0.00 O ATOM 0 H GLY A 66 -3.392 28.250 3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.646 29.291 2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.478 28.874 0.778 1.00 0.00 H new ATOM 876 N LYS A 67 -4.859 27.030 -0.149 1.00 0.00 N ATOM 877 CA LYS A 67 -5.673 25.972 -0.736 1.00 0.00 C ATOM 878 C LYS A 67 -4.931 24.642 -0.737 1.00 0.00 C ATOM 879 O LYS A 67 -5.512 23.596 -1.028 1.00 0.00 O ATOM 880 CB LYS A 67 -6.087 26.344 -2.161 1.00 0.00 C ATOM 881 CG LYS A 67 -7.006 27.554 -2.254 1.00 0.00 C ATOM 882 CD LYS A 67 -7.347 27.881 -3.699 1.00 0.00 C ATOM 883 CE LYS A 67 -8.271 29.086 -3.793 1.00 0.00 C ATOM 884 NZ LYS A 67 -8.650 29.390 -5.199 1.00 0.00 N ATOM 0 H LYS A 67 -4.224 27.486 -0.804 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.568 25.862 -0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.189 26.539 -2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.586 25.488 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.923 27.360 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.526 28.414 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.430 28.079 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.823 27.019 -4.166 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.171 28.899 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.780 29.954 -3.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.280 30.217 -5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.794 29.594 -5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.142 28.571 -5.611 1.00 0.00 H new ATOM 898 N GLN A 68 -3.643 24.688 -0.409 1.00 0.00 N ATOM 899 CA GLN A 68 -2.814 23.489 -0.392 1.00 0.00 C ATOM 900 C GLN A 68 -2.437 23.099 1.031 1.00 0.00 C ATOM 901 O GLN A 68 -2.464 23.930 1.940 1.00 0.00 O ATOM 902 CB GLN A 68 -1.546 23.704 -1.223 1.00 0.00 C ATOM 903 CG GLN A 68 -1.807 24.087 -2.669 1.00 0.00 C ATOM 904 CD GLN A 68 -2.527 22.996 -3.437 1.00 0.00 C ATOM 905 OE1 GLN A 68 -2.135 21.826 -3.398 1.00 0.00 O ATOM 906 NE2 GLN A 68 -3.587 23.372 -4.144 1.00 0.00 N ATOM 0 H GLN A 68 -3.151 25.544 -0.151 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.396 22.677 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.946 24.484 -0.755 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.952 22.790 -1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.401 25.000 -2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.859 24.308 -3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.876 24.350 -4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.111 22.683 -4.683 1.00 0.00 H new ATOM 915 N LYS A 69 -2.086 21.832 1.219 1.00 0.00 N ATOM 916 CA LYS A 69 -1.638 21.346 2.518 1.00 0.00 C ATOM 917 C LYS A 69 -0.267 20.688 2.417 1.00 0.00 C ATOM 918 O LYS A 69 0.092 20.136 1.377 1.00 0.00 O ATOM 919 CB LYS A 69 -2.652 20.360 3.101 1.00 0.00 C ATOM 920 CG LYS A 69 -3.973 20.991 3.522 1.00 0.00 C ATOM 921 CD LYS A 69 -4.896 19.967 4.162 1.00 0.00 C ATOM 922 CE LYS A 69 -6.151 20.623 4.718 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.047 19.638 5.383 1.00 0.00 N ATOM 0 H LYS A 69 -2.103 21.122 0.487 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.556 22.205 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.853 19.585 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.206 19.868 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.783 21.802 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.462 21.431 2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.173 19.214 3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.368 19.450 4.963 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.870 21.397 5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.691 21.116 3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.838 20.139 5.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.418 18.973 4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.512 19.113 6.104 1.00 0.00 H new ATOM 937 N ILE A 70 0.495 20.751 3.505 1.00 0.00 N ATOM 938 CA ILE A 70 1.803 20.109 3.561 1.00 0.00 C ATOM 939 C ILE A 70 1.871 19.096 4.697 1.00 0.00 C ATOM 940 O ILE A 70 1.438 19.375 5.815 1.00 0.00 O ATOM 941 CB ILE A 70 2.932 21.141 3.737 1.00 0.00 C ATOM 942 CG1 ILE A 70 2.999 22.071 2.523 1.00 0.00 C ATOM 943 CG2 ILE A 70 4.265 20.439 3.947 1.00 0.00 C ATOM 944 CD1 ILE A 70 4.069 23.134 2.627 1.00 0.00 C ATOM 0 H ILE A 70 0.229 21.240 4.359 1.00 0.00 H new ATOM 0 HA ILE A 70 1.941 19.593 2.611 1.00 0.00 H new ATOM 0 HB ILE A 70 2.718 21.743 4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.179 21.474 1.629 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.031 22.555 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.052 21.183 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.212 19.816 4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.488 19.814 3.082 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.055 23.753 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.879 23.757 3.501 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.045 22.659 2.725 1.00 0.00 H new ATOM 956 N TYR A 71 2.414 17.921 4.404 1.00 0.00 N ATOM 957 CA TYR A 71 2.354 16.796 5.328 1.00 0.00 C ATOM 958 C TYR A 71 3.736 16.446 5.862 1.00 0.00 C ATOM 959 O TYR A 71 4.744 16.652 5.186 1.00 0.00 O ATOM 960 CB TYR A 71 1.730 15.576 4.648 1.00 0.00 C ATOM 961 CG TYR A 71 0.305 15.794 4.186 1.00 0.00 C ATOM 962 CD1 TYR A 71 0.035 16.427 2.982 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.764 15.362 4.957 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.264 16.628 2.556 1.00 0.00 C ATOM 965 CE2 TYR A 71 -2.068 15.558 4.541 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.314 16.191 3.340 1.00 0.00 C ATOM 967 OH TYR A 71 -3.609 16.387 2.920 1.00 0.00 O ATOM 0 H TYR A 71 2.902 17.722 3.531 1.00 0.00 H new ATOM 0 HA TYR A 71 1.728 17.091 6.170 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.342 15.298 3.790 1.00 0.00 H new ATOM 0 HB3 TYR A 71 1.752 14.735 5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.854 16.769 2.367 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.575 14.865 5.897 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.457 17.124 1.616 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.890 15.217 5.153 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.228 16.020 3.586 1.00 0.00 H new ATOM 977 N PHE A 72 3.779 15.914 7.080 1.00 0.00 N ATOM 978 CA PHE A 72 5.026 15.432 7.662 1.00 0.00 C ATOM 979 C PHE A 72 4.766 14.340 8.692 1.00 0.00 C ATOM 980 O PHE A 72 3.720 14.321 9.341 1.00 0.00 O ATOM 981 CB PHE A 72 5.797 16.586 8.304 1.00 0.00 C ATOM 982 CG PHE A 72 5.062 17.257 9.428 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.171 18.290 9.176 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.258 16.856 10.741 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.495 18.908 10.209 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.582 17.472 11.777 1.00 0.00 C ATOM 987 CZ PHE A 72 3.701 18.498 11.511 1.00 0.00 C ATOM 0 H PHE A 72 2.963 15.806 7.683 1.00 0.00 H new ATOM 0 HA PHE A 72 5.628 15.007 6.858 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.749 16.210 8.679 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.026 17.328 7.539 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.004 18.615 8.160 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.947 16.053 10.956 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.805 19.712 9.999 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.744 17.149 12.795 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.173 18.980 12.320 1.00 0.00 H new ATOM 997 N ALA A 73 5.723 13.431 8.837 1.00 0.00 N ATOM 998 CA ALA A 73 5.582 12.308 9.757 1.00 0.00 C ATOM 999 C ALA A 73 5.776 12.752 11.202 1.00 0.00 C ATOM 1000 O ALA A 73 6.585 13.635 11.487 1.00 0.00 O ATOM 1001 CB ALA A 73 6.567 11.204 9.402 1.00 0.00 C ATOM 0 H ALA A 73 6.607 13.450 8.328 1.00 0.00 H new ATOM 0 HA ALA A 73 4.569 11.918 9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.449 10.373 10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.374 10.857 8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.584 11.590 9.467 1.00 0.00 H new ATOM 1007 N ASP A 74 5.028 12.135 12.110 1.00 0.00 N ATOM 1008 CA ASP A 74 5.122 12.461 13.528 1.00 0.00 C ATOM 1009 C ASP A 74 4.370 11.443 14.378 1.00 0.00 C ATOM 1010 O ASP A 74 4.877 10.387 14.637 1.00 0.00 O ATOM 1011 CB ASP A 74 4.579 13.868 13.793 1.00 0.00 C ATOM 1012 CG ASP A 74 4.836 14.387 15.200 1.00 0.00 C ATOM 1013 OD1 ASP A 74 5.471 13.695 15.961 1.00 0.00 O ATOM 1014 OD2 ASP A 74 4.534 15.528 15.456 1.00 0.00 O ATOM 0 H ASP A 74 4.350 11.406 11.889 1.00 0.00 H new ATOM 0 HA ASP A 74 6.175 12.429 13.807 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.027 14.558 13.077 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.505 13.870 13.609 1.00 0.00 H new TER 1019 ASP A 74