USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=7 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= -0.162 X(o=-0.16,f=-0.19) USER MOD Set 1.2: A 27 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -116:sc= 0.739 USER MOD Set 2.2: A 35 ASN : amide:sc= 0.618 K(o=1.4,f=-0.35!) USER MOD Single : A 21 GLN : amide:sc= -0.0678 X(o=-0.068,f=-0.21) USER MOD Single : A 24 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.2) USER MOD Single : A 28 SER OG : rot 180:sc= 0.572 USER MOD Single : A 30 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.18) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.144 K(o=-0.14,f=-0.75) 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= 0.863 K(o=0.86,f=-0.46) USER MOD Single : A 56 GLN : amide:sc= -0.0311 X(o=-0.031,f=-0.19) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0.909 (180deg=0.899) 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 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot -122:sc= 0.885 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 11 0.574 -0.169 0.235 1.00 0.00 N ATOM 2 CA GLY A 11 2.028 -0.061 0.216 1.00 0.00 C ATOM 3 C GLY A 11 2.472 1.396 0.188 1.00 0.00 C ATOM 4 O GLY A 11 3.552 1.735 0.671 1.00 0.00 O ATOM 0 HA2 GLY A 11 2.443 -0.554 1.095 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.423 -0.581 -0.657 1.00 0.00 H new ATOM 8 N ALA A 12 1.632 2.254 -0.380 1.00 0.00 N ATOM 9 CA ALA A 12 1.973 3.662 -0.548 1.00 0.00 C ATOM 10 C ALA A 12 2.122 4.357 0.799 1.00 0.00 C ATOM 11 O ALA A 12 3.041 5.150 1.001 1.00 0.00 O ATOM 12 CB ALA A 12 0.923 4.363 -1.397 1.00 0.00 C ATOM 0 H ALA A 12 0.709 1.999 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 12 2.933 3.718 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.191 5.413 -1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.873 3.890 -2.378 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.049 4.289 -0.909 1.00 0.00 H new ATOM 18 N PRO A 13 1.212 4.055 1.719 1.00 0.00 N ATOM 19 CA PRO A 13 1.263 4.621 3.061 1.00 0.00 C ATOM 20 C PRO A 13 2.599 4.329 3.732 1.00 0.00 C ATOM 21 O PRO A 13 3.171 5.190 4.399 1.00 0.00 O ATOM 22 CB PRO A 13 0.093 3.955 3.793 1.00 0.00 C ATOM 23 CG PRO A 13 -0.864 3.592 2.709 1.00 0.00 C ATOM 24 CD PRO A 13 -0.008 3.164 1.547 1.00 0.00 C ATOM 0 HA PRO A 13 1.179 5.708 3.064 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.420 3.074 4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.362 4.633 4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.529 2.788 3.025 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.494 4.440 2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.248 2.106 1.595 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -0.504 3.329 0.590 1.00 0.00 H new ATOM 32 N GLY A 14 3.092 3.108 3.551 1.00 0.00 N ATOM 33 CA GLY A 14 4.372 2.706 4.122 1.00 0.00 C ATOM 34 C GLY A 14 5.527 3.452 3.465 1.00 0.00 C ATOM 35 O GLY A 14 6.477 3.857 4.135 1.00 0.00 O ATOM 0 H GLY A 14 2.624 2.379 3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.372 2.902 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.509 1.632 3.994 1.00 0.00 H new ATOM 39 N ILE A 15 5.439 3.630 2.151 1.00 0.00 N ATOM 40 CA ILE A 15 6.464 4.349 1.405 1.00 0.00 C ATOM 41 C ILE A 15 6.535 5.809 1.835 1.00 0.00 C ATOM 42 O ILE A 15 7.620 6.352 2.042 1.00 0.00 O ATOM 43 CB ILE A 15 6.209 4.283 -0.111 1.00 0.00 C ATOM 44 CG1 ILE A 15 6.410 2.854 -0.625 1.00 0.00 C ATOM 45 CG2 ILE A 15 7.124 5.250 -0.847 1.00 0.00 C ATOM 46 CD1 ILE A 15 5.898 2.633 -2.030 1.00 0.00 C ATOM 0 H ILE A 15 4.667 3.285 1.580 1.00 0.00 H new ATOM 0 HA ILE A 15 7.414 3.862 1.626 1.00 0.00 H new ATOM 0 HB ILE A 15 5.176 4.575 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.472 2.613 -0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.906 2.161 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.930 5.190 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.935 6.266 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.164 4.988 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.076 1.598 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.829 2.841 -2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.420 3.300 -2.717 1.00 0.00 H new ATOM 58 N ILE A 16 5.373 6.439 1.968 1.00 0.00 N ATOM 59 CA ILE A 16 5.304 7.852 2.321 1.00 0.00 C ATOM 60 C ILE A 16 5.787 8.087 3.747 1.00 0.00 C ATOM 61 O ILE A 16 6.553 9.016 4.008 1.00 0.00 O ATOM 62 CB ILE A 16 3.872 8.400 2.178 1.00 0.00 C ATOM 63 CG1 ILE A 16 3.456 8.426 0.705 1.00 0.00 C ATOM 64 CG2 ILE A 16 3.772 9.791 2.787 1.00 0.00 C ATOM 65 CD1 ILE A 16 1.983 8.689 0.491 1.00 0.00 C ATOM 0 H ILE A 16 4.465 5.993 1.837 1.00 0.00 H new ATOM 0 HA ILE A 16 5.957 8.382 1.627 1.00 0.00 H new ATOM 0 HB ILE A 16 3.192 7.740 2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.031 9.194 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.715 7.471 0.247 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.754 10.164 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.030 9.744 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.461 10.463 2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.765 8.692 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.399 7.908 0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.720 9.657 0.918 1.00 0.00 H new ATOM 77 N LEU A 17 5.336 7.241 4.667 1.00 0.00 N ATOM 78 CA LEU A 17 5.696 7.376 6.074 1.00 0.00 C ATOM 79 C LEU A 17 7.196 7.216 6.278 1.00 0.00 C ATOM 80 O LEU A 17 7.820 7.989 7.004 1.00 0.00 O ATOM 81 CB LEU A 17 4.929 6.350 6.917 1.00 0.00 C ATOM 82 CG LEU A 17 5.203 6.408 8.425 1.00 0.00 C ATOM 83 CD1 LEU A 17 4.842 7.784 8.968 1.00 0.00 C ATOM 84 CD2 LEU A 17 4.403 5.323 9.130 1.00 0.00 C ATOM 0 H LEU A 17 4.720 6.454 4.463 1.00 0.00 H new ATOM 0 HA LEU A 17 5.420 8.379 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.861 6.494 6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.175 5.351 6.557 1.00 0.00 H new ATOM 0 HG LEU A 17 6.264 6.236 8.609 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.040 7.816 10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.442 8.542 8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.785 7.980 8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.598 5.365 10.202 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.340 5.479 8.949 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.697 4.346 8.746 1.00 0.00 H new ATOM 96 N ARG A 18 7.770 6.206 5.634 1.00 0.00 N ATOM 97 CA ARG A 18 9.209 5.973 5.702 1.00 0.00 C ATOM 98 C ARG A 18 9.981 7.087 5.008 1.00 0.00 C ATOM 99 O ARG A 18 11.039 7.506 5.477 1.00 0.00 O ATOM 100 CB ARG A 18 9.594 4.604 5.158 1.00 0.00 C ATOM 101 CG ARG A 18 11.079 4.284 5.229 1.00 0.00 C ATOM 102 CD ARG A 18 11.617 4.178 6.609 1.00 0.00 C ATOM 103 NE ARG A 18 13.050 3.943 6.681 1.00 0.00 N ATOM 104 CZ ARG A 18 13.753 3.847 7.826 1.00 0.00 C ATOM 105 NH1 ARG A 18 13.170 4.002 8.994 1.00 0.00 N ATOM 106 NH2 ARG A 18 15.052 3.615 7.743 1.00 0.00 N ATOM 0 H ARG A 18 7.261 5.535 5.059 1.00 0.00 H new ATOM 0 HA ARG A 18 9.486 5.983 6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.046 3.841 5.711 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.272 4.538 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.261 3.344 4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.631 5.057 4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.385 5.097 7.148 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.102 3.367 7.125 1.00 0.00 H new ATOM 0 HE ARG A 18 13.559 3.844 5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.170 4.198 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.717 3.926 9.851 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.495 3.514 6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.611 3.537 8.592 1.00 0.00 H new ATOM 120 N TYR A 19 9.446 7.562 3.889 1.00 0.00 N ATOM 121 CA TYR A 19 10.029 8.700 3.185 1.00 0.00 C ATOM 122 C TYR A 19 10.129 9.918 4.094 1.00 0.00 C ATOM 123 O TYR A 19 11.182 10.546 4.192 1.00 0.00 O ATOM 124 CB TYR A 19 9.203 9.038 1.942 1.00 0.00 C ATOM 125 CG TYR A 19 9.602 10.338 1.277 1.00 0.00 C ATOM 126 CD1 TYR A 19 10.756 10.422 0.512 1.00 0.00 C ATOM 127 CD2 TYR A 19 8.821 11.475 1.415 1.00 0.00 C ATOM 128 CE1 TYR A 19 11.125 11.606 -0.097 1.00 0.00 C ATOM 129 CE2 TYR A 19 9.179 12.664 0.810 1.00 0.00 C ATOM 130 CZ TYR A 19 10.333 12.726 0.055 1.00 0.00 C ATOM 131 OH TYR A 19 10.694 13.908 -0.550 1.00 0.00 O ATOM 0 H TYR A 19 8.610 7.177 3.449 1.00 0.00 H new ATOM 0 HA TYR A 19 11.037 8.422 2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.301 8.227 1.221 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.150 9.091 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.377 9.547 0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.918 11.430 2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.027 11.655 -0.688 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.559 13.541 0.927 1.00 0.00 H new ATOM 0 HH TYR A 19 10.877 14.584 0.136 1.00 0.00 H new ATOM 141 N LEU A 20 9.026 10.247 4.758 1.00 0.00 N ATOM 142 CA LEU A 20 8.981 11.403 5.644 1.00 0.00 C ATOM 143 C LEU A 20 9.847 11.186 6.878 1.00 0.00 C ATOM 144 O LEU A 20 10.396 12.135 7.438 1.00 0.00 O ATOM 145 CB LEU A 20 7.533 11.702 6.053 1.00 0.00 C ATOM 146 CG LEU A 20 6.622 12.190 4.920 1.00 0.00 C ATOM 147 CD1 LEU A 20 5.177 12.245 5.400 1.00 0.00 C ATOM 148 CD2 LEU A 20 7.086 13.560 4.449 1.00 0.00 C ATOM 0 H LEU A 20 8.150 9.728 4.699 1.00 0.00 H new ATOM 0 HA LEU A 20 9.380 12.260 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.100 10.799 6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.543 12.456 6.840 1.00 0.00 H new ATOM 0 HG LEU A 20 6.677 11.494 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.537 12.593 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.859 11.250 5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.100 12.932 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.438 13.907 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.041 14.265 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.111 13.492 4.086 1.00 0.00 H new ATOM 160 N GLN A 21 9.965 9.931 7.298 1.00 0.00 N ATOM 161 CA GLN A 21 10.785 9.583 8.452 1.00 0.00 C ATOM 162 C GLN A 21 12.268 9.755 8.147 1.00 0.00 C ATOM 163 O GLN A 21 13.016 10.310 8.952 1.00 0.00 O ATOM 164 CB GLN A 21 10.512 8.142 8.889 1.00 0.00 C ATOM 165 CG GLN A 21 11.299 7.702 10.112 1.00 0.00 C ATOM 166 CD GLN A 21 10.952 8.512 11.347 1.00 0.00 C ATOM 167 OE1 GLN A 21 9.778 8.744 11.644 1.00 0.00 O ATOM 168 NE2 GLN A 21 11.975 8.952 12.071 1.00 0.00 N ATOM 0 H GLN A 21 9.502 9.137 6.856 1.00 0.00 H new ATOM 0 HA GLN A 21 10.518 10.261 9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 21 9.448 8.033 9.097 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.745 7.473 8.061 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.103 6.647 10.306 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.365 7.796 9.907 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.931 8.736 11.788 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.805 9.506 12.910 1.00 0.00 H new ATOM 177 N GLU A 22 12.686 9.277 6.980 1.00 0.00 N ATOM 178 CA GLU A 22 14.093 9.312 6.598 1.00 0.00 C ATOM 179 C GLU A 22 14.541 10.731 6.278 1.00 0.00 C ATOM 180 O GLU A 22 15.665 11.123 6.592 1.00 0.00 O ATOM 181 CB GLU A 22 14.344 8.398 5.396 1.00 0.00 C ATOM 182 CG GLU A 22 14.286 6.910 5.714 1.00 0.00 C ATOM 183 CD GLU A 22 14.495 6.079 4.479 1.00 0.00 C ATOM 184 OE1 GLU A 22 14.598 6.644 3.417 1.00 0.00 O ATOM 185 OE2 GLU A 22 14.664 4.889 4.610 1.00 0.00 O ATOM 0 H GLU A 22 12.070 8.860 6.282 1.00 0.00 H new ATOM 0 HA GLU A 22 14.678 8.953 7.445 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.607 8.621 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.323 8.630 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.048 6.664 6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.321 6.668 6.158 1.00 0.00 H new ATOM 192 N GLN A 23 13.655 11.500 5.653 1.00 0.00 N ATOM 193 CA GLN A 23 13.958 12.881 5.294 1.00 0.00 C ATOM 194 C GLN A 23 13.819 13.805 6.498 1.00 0.00 C ATOM 195 O GLN A 23 14.576 14.764 6.645 1.00 0.00 O ATOM 196 CB GLN A 23 13.034 13.356 4.170 1.00 0.00 C ATOM 197 CG GLN A 23 13.227 12.621 2.854 1.00 0.00 C ATOM 198 CD GLN A 23 14.649 12.729 2.335 1.00 0.00 C ATOM 199 OE1 GLN A 23 15.224 13.819 2.279 1.00 0.00 O ATOM 200 NE2 GLN A 23 15.223 11.595 1.948 1.00 0.00 N ATOM 0 H GLN A 23 12.721 11.190 5.385 1.00 0.00 H new ATOM 0 HA GLN A 23 14.991 12.915 4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.999 13.238 4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.197 14.421 4.006 1.00 0.00 H new ATOM 0 HG2 GLN A 23 12.970 11.570 2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.540 13.026 2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 23 14.710 10.716 2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.177 11.604 1.587 1.00 0.00 H new ATOM 209 N ASN A 24 12.848 13.510 7.355 1.00 0.00 N ATOM 210 CA ASN A 24 12.601 14.322 8.541 1.00 0.00 C ATOM 211 C ASN A 24 12.268 15.760 8.164 1.00 0.00 C ATOM 212 O ASN A 24 12.633 16.698 8.873 1.00 0.00 O ATOM 213 CB ASN A 24 13.783 14.290 9.493 1.00 0.00 C ATOM 214 CG ASN A 24 13.435 14.679 10.903 1.00 0.00 C ATOM 215 OD1 ASN A 24 12.303 14.485 11.360 1.00 0.00 O ATOM 216 ND2 ASN A 24 14.378 15.300 11.564 1.00 0.00 N ATOM 0 H ASN A 24 12.219 12.714 7.251 1.00 0.00 H new ATOM 0 HA ASN A 24 11.741 13.890 9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 24 14.208 13.286 9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 24 14.556 14.962 9.121 1.00 0.00 H new ATOM 0 HD21 ASN A 24 14.195 15.651 12.504 1.00 0.00 H new ATOM 0 HD22 ASN A 24 15.296 15.433 11.139 1.00 0.00 H new ATOM 223 N ARG A 25 11.571 15.927 7.045 1.00 0.00 N ATOM 224 CA ARG A 25 11.217 17.253 6.553 1.00 0.00 C ATOM 225 C ARG A 25 9.792 17.280 6.016 1.00 0.00 C ATOM 226 O ARG A 25 9.297 16.281 5.494 1.00 0.00 O ATOM 227 CB ARG A 25 12.212 17.767 5.522 1.00 0.00 C ATOM 228 CG ARG A 25 13.618 18.000 6.049 1.00 0.00 C ATOM 229 CD ARG A 25 13.739 19.151 6.981 1.00 0.00 C ATOM 230 NE ARG A 25 15.102 19.466 7.377 1.00 0.00 N ATOM 231 CZ ARG A 25 15.756 18.882 8.400 1.00 0.00 C ATOM 232 NH1 ARG A 25 15.166 17.982 9.155 1.00 0.00 N ATOM 233 NH2 ARG A 25 17.001 19.254 8.640 1.00 0.00 N ATOM 0 H ARG A 25 11.240 15.159 6.461 1.00 0.00 H new ATOM 0 HA ARG A 25 11.265 17.933 7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 25 12.262 17.053 4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.835 18.703 5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 25 13.957 17.098 6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.288 18.160 5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.298 20.030 6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.154 18.941 7.876 1.00 0.00 H new ATOM 0 HE ARG A 25 15.598 20.179 6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.199 17.716 8.970 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.675 17.549 9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.442 19.966 8.057 1.00 0.00 H new ATOM 0 HH22 ARG A 25 17.521 18.829 9.408 1.00 0.00 H new ATOM 247 N PRO A 26 9.137 18.428 6.147 1.00 0.00 N ATOM 248 CA PRO A 26 7.791 18.606 5.618 1.00 0.00 C ATOM 249 C PRO A 26 7.804 18.697 4.097 1.00 0.00 C ATOM 250 O PRO A 26 8.633 19.396 3.515 1.00 0.00 O ATOM 251 CB PRO A 26 7.301 19.904 6.268 1.00 0.00 C ATOM 252 CG PRO A 26 8.545 20.688 6.514 1.00 0.00 C ATOM 253 CD PRO A 26 9.602 19.669 6.842 1.00 0.00 C ATOM 0 HA PRO A 26 7.135 17.765 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 26 6.615 20.442 5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.766 19.706 7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 26 8.821 21.272 5.636 1.00 0.00 H new ATOM 0 HG3 PRO A 26 8.410 21.392 7.335 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.583 19.983 6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.688 19.516 7.918 1.00 0.00 H new ATOM 261 N TYR A 27 6.880 17.988 3.458 1.00 0.00 N ATOM 262 CA TYR A 27 6.726 18.056 2.010 1.00 0.00 C ATOM 263 C TYR A 27 5.264 18.227 1.618 1.00 0.00 C ATOM 264 O TYR A 27 4.374 17.632 2.227 1.00 0.00 O ATOM 265 CB TYR A 27 7.303 16.801 1.351 1.00 0.00 C ATOM 266 CG TYR A 27 8.800 16.660 1.507 1.00 0.00 C ATOM 267 CD1 TYR A 27 9.669 17.275 0.616 1.00 0.00 C ATOM 268 CD2 TYR A 27 9.343 15.912 2.541 1.00 0.00 C ATOM 269 CE1 TYR A 27 11.038 17.150 0.752 1.00 0.00 C ATOM 270 CE2 TYR A 27 10.710 15.781 2.688 1.00 0.00 C ATOM 271 CZ TYR A 27 11.555 16.402 1.790 1.00 0.00 C ATOM 272 OH TYR A 27 12.918 16.273 1.930 1.00 0.00 O ATOM 0 H TYR A 27 6.225 17.358 3.922 1.00 0.00 H new ATOM 0 HA TYR A 27 7.277 18.928 1.657 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.819 15.923 1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 27 7.058 16.815 0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.268 17.861 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.685 15.423 3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.700 17.635 0.050 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.115 15.196 3.500 1.00 0.00 H new ATOM 0 HH TYR A 27 13.360 17.076 1.582 1.00 0.00 H new ATOM 282 N SER A 28 5.022 19.043 0.599 1.00 0.00 N ATOM 283 CA SER A 28 3.666 19.293 0.123 1.00 0.00 C ATOM 284 C SER A 28 3.056 18.038 -0.486 1.00 0.00 C ATOM 285 O SER A 28 3.766 17.086 -0.811 1.00 0.00 O ATOM 286 CB SER A 28 3.668 20.424 -0.887 1.00 0.00 C ATOM 287 OG SER A 28 4.215 20.032 -2.116 1.00 0.00 O ATOM 0 H SER A 28 5.748 19.543 0.086 1.00 0.00 H new ATOM 0 HA SER A 28 3.054 19.581 0.977 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.647 20.774 -1.040 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.237 21.264 -0.489 1.00 0.00 H new ATOM 0 HG SER A 28 4.196 20.789 -2.739 1.00 0.00 H new ATOM 293 N ALA A 29 1.737 18.042 -0.640 1.00 0.00 N ATOM 294 CA ALA A 29 1.040 16.950 -1.310 1.00 0.00 C ATOM 295 C ALA A 29 1.608 16.705 -2.702 1.00 0.00 C ATOM 296 O ALA A 29 1.611 15.576 -3.192 1.00 0.00 O ATOM 297 CB ALA A 29 -0.452 17.241 -1.386 1.00 0.00 C ATOM 0 H ALA A 29 1.128 18.790 -0.310 1.00 0.00 H new ATOM 0 HA ALA A 29 1.191 16.044 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.958 16.417 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.853 17.353 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.615 18.162 -1.945 1.00 0.00 H new ATOM 303 N GLN A 30 2.087 17.771 -3.335 1.00 0.00 N ATOM 304 CA GLN A 30 2.636 17.678 -4.682 1.00 0.00 C ATOM 305 C GLN A 30 4.089 17.223 -4.655 1.00 0.00 C ATOM 306 O GLN A 30 4.543 16.509 -5.549 1.00 0.00 O ATOM 307 CB GLN A 30 2.530 19.027 -5.398 1.00 0.00 C ATOM 308 CG GLN A 30 1.104 19.512 -5.605 1.00 0.00 C ATOM 309 CD GLN A 30 0.266 18.524 -6.394 1.00 0.00 C ATOM 310 OE1 GLN A 30 0.677 18.049 -7.456 1.00 0.00 O ATOM 311 NE2 GLN A 30 -0.919 18.213 -5.881 1.00 0.00 N ATOM 0 H GLN A 30 2.106 18.710 -2.936 1.00 0.00 H new ATOM 0 HA GLN A 30 2.052 16.936 -5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.076 19.775 -4.823 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.020 18.950 -6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.638 19.686 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.121 20.469 -6.127 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.218 18.630 -5.000 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.529 17.557 -6.368 1.00 0.00 H new ATOM 320 N ASP A 31 4.815 17.642 -3.624 1.00 0.00 N ATOM 321 CA ASP A 31 6.208 17.244 -3.456 1.00 0.00 C ATOM 322 C ASP A 31 6.323 15.753 -3.168 1.00 0.00 C ATOM 323 O ASP A 31 7.186 15.070 -3.719 1.00 0.00 O ATOM 324 CB ASP A 31 6.865 18.049 -2.332 1.00 0.00 C ATOM 325 CG ASP A 31 7.163 19.499 -2.688 1.00 0.00 C ATOM 326 OD1 ASP A 31 7.110 19.828 -3.850 1.00 0.00 O ATOM 327 OD2 ASP A 31 7.286 20.298 -1.791 1.00 0.00 O ATOM 0 H ASP A 31 4.462 18.258 -2.892 1.00 0.00 H new ATOM 0 HA ASP A 31 6.729 17.452 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.213 18.029 -1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.796 17.559 -2.047 1.00 0.00 H new ATOM 332 N VAL A 32 5.450 15.254 -2.301 1.00 0.00 N ATOM 333 CA VAL A 32 5.440 13.838 -1.952 1.00 0.00 C ATOM 334 C VAL A 32 5.098 12.975 -3.158 1.00 0.00 C ATOM 335 O VAL A 32 5.780 11.990 -3.444 1.00 0.00 O ATOM 336 CB VAL A 32 4.438 13.541 -0.820 1.00 0.00 C ATOM 337 CG1 VAL A 32 4.299 12.041 -0.611 1.00 0.00 C ATOM 338 CG2 VAL A 32 4.875 14.220 0.470 1.00 0.00 C ATOM 0 H VAL A 32 4.739 15.810 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 32 6.445 13.594 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 32 3.465 13.940 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.587 11.850 0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.942 11.577 -1.530 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.268 11.619 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.156 14.000 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.858 13.850 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.925 15.298 0.315 1.00 0.00 H new ATOM 348 N PHE A 33 4.037 13.350 -3.866 1.00 0.00 N ATOM 349 CA PHE A 33 3.636 12.645 -5.077 1.00 0.00 C ATOM 350 C PHE A 33 4.736 12.690 -6.130 1.00 0.00 C ATOM 351 O PHE A 33 5.175 11.653 -6.627 1.00 0.00 O ATOM 352 CB PHE A 33 2.345 13.242 -5.640 1.00 0.00 C ATOM 353 CG PHE A 33 2.046 12.820 -7.051 1.00 0.00 C ATOM 354 CD1 PHE A 33 1.874 11.480 -7.367 1.00 0.00 C ATOM 355 CD2 PHE A 33 1.937 13.760 -8.063 1.00 0.00 C ATOM 356 CE1 PHE A 33 1.599 11.091 -8.664 1.00 0.00 C ATOM 357 CE2 PHE A 33 1.662 13.374 -9.360 1.00 0.00 C ATOM 358 CZ PHE A 33 1.493 12.037 -9.661 1.00 0.00 C ATOM 0 H PHE A 33 3.439 14.139 -3.621 1.00 0.00 H new ATOM 0 HA PHE A 33 3.459 11.602 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 33 1.512 12.952 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.412 14.329 -5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.956 10.733 -6.591 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.069 14.807 -7.835 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.467 10.045 -8.897 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.579 14.118 -10.139 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.278 11.733 -10.675 1.00 0.00 H new ATOM 368 N GLY A 34 5.178 13.897 -6.466 1.00 0.00 N ATOM 369 CA GLY A 34 6.149 14.087 -7.538 1.00 0.00 C ATOM 370 C GLY A 34 7.402 13.255 -7.299 1.00 0.00 C ATOM 371 O GLY A 34 7.913 12.608 -8.213 1.00 0.00 O ATOM 0 H GLY A 34 4.879 14.760 -6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.701 13.809 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.417 15.141 -7.607 1.00 0.00 H new ATOM 375 N ASN A 35 7.894 13.276 -6.064 1.00 0.00 N ATOM 376 CA ASN A 35 9.134 12.590 -5.722 1.00 0.00 C ATOM 377 C ASN A 35 8.955 11.078 -5.757 1.00 0.00 C ATOM 378 O ASN A 35 9.819 10.352 -6.246 1.00 0.00 O ATOM 379 CB ASN A 35 9.652 13.026 -4.364 1.00 0.00 C ATOM 380 CG ASN A 35 10.240 14.410 -4.355 1.00 0.00 C ATOM 381 OD1 ASN A 35 10.603 14.958 -5.402 1.00 0.00 O ATOM 382 ND2 ASN A 35 10.409 14.944 -3.173 1.00 0.00 N ATOM 0 H ASN A 35 7.452 13.761 -5.283 1.00 0.00 H new ATOM 0 HA ASN A 35 9.873 12.867 -6.474 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.835 12.983 -3.643 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.410 12.317 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.859 15.855 -3.085 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.091 14.449 -2.340 1.00 0.00 H new ATOM 389 N LEU A 36 7.827 10.608 -5.235 1.00 0.00 N ATOM 390 CA LEU A 36 7.559 9.178 -5.148 1.00 0.00 C ATOM 391 C LEU A 36 6.962 8.650 -6.446 1.00 0.00 C ATOM 392 O LEU A 36 6.802 7.441 -6.621 1.00 0.00 O ATOM 393 CB LEU A 36 6.621 8.884 -3.970 1.00 0.00 C ATOM 394 CG LEU A 36 7.159 9.289 -2.592 1.00 0.00 C ATOM 395 CD1 LEU A 36 6.121 8.989 -1.518 1.00 0.00 C ATOM 396 CD2 LEU A 36 8.455 8.545 -2.311 1.00 0.00 C ATOM 0 H LEU A 36 7.082 11.199 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 36 8.507 8.666 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.677 9.401 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.402 7.816 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 36 7.362 10.360 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.512 9.280 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.210 9.550 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.898 7.922 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.836 8.834 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.269 7.471 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.191 8.796 -3.075 1.00 0.00 H new ATOM 408 N GLN A 37 6.632 9.562 -7.354 1.00 0.00 N ATOM 409 CA GLN A 37 6.209 9.187 -8.698 1.00 0.00 C ATOM 410 C GLN A 37 7.387 8.701 -9.531 1.00 0.00 C ATOM 411 O GLN A 37 7.246 7.802 -10.360 1.00 0.00 O ATOM 412 CB GLN A 37 5.534 10.370 -9.397 1.00 0.00 C ATOM 413 CG GLN A 37 5.016 10.056 -10.791 1.00 0.00 C ATOM 414 CD GLN A 37 4.446 11.279 -11.484 1.00 0.00 C ATOM 415 OE1 GLN A 37 4.516 12.395 -10.963 1.00 0.00 O ATOM 416 NE2 GLN A 37 3.873 11.075 -12.665 1.00 0.00 N ATOM 0 H GLN A 37 6.649 10.567 -7.183 1.00 0.00 H new ATOM 0 HA GLN A 37 5.493 8.370 -8.604 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.703 10.715 -8.782 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.246 11.193 -9.463 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.826 9.645 -11.393 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.246 9.287 -10.725 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.837 10.135 -13.059 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.469 11.859 -13.178 1.00 0.00 H new ATOM 425 N LYS A 38 8.552 9.300 -9.306 1.00 0.00 N ATOM 426 CA LYS A 38 9.749 8.956 -10.062 1.00 0.00 C ATOM 427 C LYS A 38 10.525 7.834 -9.384 1.00 0.00 C ATOM 428 O LYS A 38 11.137 6.999 -10.049 1.00 0.00 O ATOM 429 CB LYS A 38 10.645 10.183 -10.236 1.00 0.00 C ATOM 430 CG LYS A 38 10.014 11.313 -11.039 1.00 0.00 C ATOM 431 CD LYS A 38 10.969 12.489 -11.183 1.00 0.00 C ATOM 432 CE LYS A 38 10.322 13.637 -11.946 1.00 0.00 C ATOM 433 NZ LYS A 38 11.223 14.817 -12.043 1.00 0.00 N ATOM 0 H LYS A 38 8.692 10.027 -8.605 1.00 0.00 H new ATOM 0 HA LYS A 38 9.433 8.607 -11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.918 10.562 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.569 9.877 -10.727 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.733 10.947 -12.026 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.098 11.643 -10.549 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.277 12.833 -10.196 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.871 12.166 -11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.054 13.302 -12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.396 13.927 -11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.745 15.576 -12.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.459 15.153 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.096 14.547 -12.540 1.00 0.00 H new ATOM 447 N GLU A 39 10.496 7.820 -8.056 1.00 0.00 N ATOM 448 CA GLU A 39 11.296 6.879 -7.281 1.00 0.00 C ATOM 449 C GLU A 39 10.584 5.542 -7.133 1.00 0.00 C ATOM 450 O GLU A 39 11.161 4.487 -7.397 1.00 0.00 O ATOM 451 CB GLU A 39 11.620 7.459 -5.902 1.00 0.00 C ATOM 452 CG GLU A 39 12.571 8.647 -5.926 1.00 0.00 C ATOM 453 CD GLU A 39 12.833 9.166 -4.540 1.00 0.00 C ATOM 454 OE1 GLU A 39 12.300 8.612 -3.609 1.00 0.00 O ATOM 455 OE2 GLU A 39 13.651 10.044 -4.400 1.00 0.00 O ATOM 0 H GLU A 39 9.926 8.451 -7.493 1.00 0.00 H new ATOM 0 HA GLU A 39 12.228 6.710 -7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.690 7.764 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.055 6.673 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.512 8.353 -6.390 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.148 9.442 -6.540 1.00 0.00 H new ATOM 462 N HIS A 40 9.325 5.591 -6.709 1.00 0.00 N ATOM 463 CA HIS A 40 8.584 4.383 -6.369 1.00 0.00 C ATOM 464 C HIS A 40 7.474 4.116 -7.378 1.00 0.00 C ATOM 465 O HIS A 40 7.006 2.985 -7.516 1.00 0.00 O ATOM 466 CB HIS A 40 7.995 4.488 -4.959 1.00 0.00 C ATOM 467 CG HIS A 40 9.028 4.522 -3.876 1.00 0.00 C ATOM 468 ND1 HIS A 40 9.706 5.672 -3.532 1.00 0.00 N ATOM 469 CD2 HIS A 40 9.500 3.548 -3.062 1.00 0.00 C ATOM 470 CE1 HIS A 40 10.551 5.404 -2.550 1.00 0.00 C ATOM 471 NE2 HIS A 40 10.445 4.122 -2.248 1.00 0.00 N ATOM 0 H HIS A 40 8.797 6.456 -6.593 1.00 0.00 H new ATOM 0 HA HIS A 40 9.283 3.548 -6.398 1.00 0.00 H new ATOM 0 HB2 HIS A 40 7.385 5.389 -4.896 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.330 3.641 -4.788 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.191 2.513 -3.055 1.00 0.00 H new ATOM 0 HE1 HIS A 40 11.214 6.112 -2.076 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.979 3.637 -1.527 1.00 0.00 H new ATOM 479 N GLY A 41 7.056 5.163 -8.082 1.00 0.00 N ATOM 480 CA GLY A 41 6.089 5.023 -9.162 1.00 0.00 C ATOM 481 C GLY A 41 4.661 5.043 -8.630 1.00 0.00 C ATOM 482 O GLY A 41 3.764 4.429 -9.208 1.00 0.00 O ATOM 0 H GLY A 41 7.373 6.119 -7.923 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.223 5.831 -9.881 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.268 4.089 -9.695 1.00 0.00 H new ATOM 486 N LEU A 42 4.457 5.751 -7.525 1.00 0.00 N ATOM 487 CA LEU A 42 3.138 5.856 -6.914 1.00 0.00 C ATOM 488 C LEU A 42 2.240 6.803 -7.701 1.00 0.00 C ATOM 489 O LEU A 42 2.698 7.822 -8.216 1.00 0.00 O ATOM 490 CB LEU A 42 3.262 6.324 -5.459 1.00 0.00 C ATOM 491 CG LEU A 42 4.005 5.361 -4.525 1.00 0.00 C ATOM 492 CD1 LEU A 42 4.083 5.950 -3.123 1.00 0.00 C ATOM 493 CD2 LEU A 42 3.292 4.018 -4.507 1.00 0.00 C ATOM 0 H LEU A 42 5.190 6.262 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 42 2.679 4.867 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.775 7.286 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.261 6.491 -5.061 1.00 0.00 H new ATOM 0 HG LEU A 42 5.021 5.213 -4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.612 5.259 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.617 6.900 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.076 6.114 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.821 3.334 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.271 4.153 -4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.273 3.603 -5.515 1.00 0.00 H new ATOM 505 N GLY A 43 0.960 6.460 -7.789 1.00 0.00 N ATOM 506 CA GLY A 43 0.000 7.266 -8.534 1.00 0.00 C ATOM 507 C GLY A 43 -0.490 8.446 -7.704 1.00 0.00 C ATOM 508 O GLY A 43 -0.256 8.508 -6.498 1.00 0.00 O ATOM 0 H GLY A 43 0.563 5.628 -7.353 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.462 7.630 -9.452 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.848 6.647 -8.828 1.00 0.00 H new ATOM 512 N LYS A 44 -1.172 9.380 -8.359 1.00 0.00 N ATOM 513 CA LYS A 44 -1.651 10.585 -7.694 1.00 0.00 C ATOM 514 C LYS A 44 -2.685 10.252 -6.627 1.00 0.00 C ATOM 515 O LYS A 44 -2.582 10.701 -5.485 1.00 0.00 O ATOM 516 CB LYS A 44 -2.243 11.560 -8.713 1.00 0.00 C ATOM 517 CG LYS A 44 -2.706 12.885 -8.121 1.00 0.00 C ATOM 518 CD LYS A 44 -3.202 13.832 -9.204 1.00 0.00 C ATOM 519 CE LYS A 44 -3.713 15.135 -8.608 1.00 0.00 C ATOM 520 NZ LYS A 44 -4.248 16.052 -9.652 1.00 0.00 N ATOM 0 H LYS A 44 -1.405 9.325 -9.350 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.798 11.057 -7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.497 11.761 -9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.089 11.081 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.503 12.705 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.884 13.350 -7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.394 14.042 -9.904 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.999 13.352 -9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.495 14.919 -7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.904 15.630 -8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.586 16.928 -9.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.496 16.279 -10.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.037 15.590 -10.148 1.00 0.00 H new ATOM 534 N ALA A 45 -3.685 9.461 -7.005 1.00 0.00 N ATOM 535 CA ALA A 45 -4.720 9.036 -6.072 1.00 0.00 C ATOM 536 C ALA A 45 -4.140 8.161 -4.967 1.00 0.00 C ATOM 537 O ALA A 45 -4.570 8.233 -3.815 1.00 0.00 O ATOM 538 CB ALA A 45 -5.828 8.297 -6.810 1.00 0.00 C ATOM 0 H ALA A 45 -3.799 9.102 -7.953 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.142 9.927 -5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.594 7.986 -6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -6.271 8.957 -7.556 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.413 7.418 -7.304 1.00 0.00 H new ATOM 544 N ALA A 46 -3.161 7.337 -5.324 1.00 0.00 N ATOM 545 CA ALA A 46 -2.524 6.444 -4.364 1.00 0.00 C ATOM 546 C ALA A 46 -1.825 7.228 -3.261 1.00 0.00 C ATOM 547 O ALA A 46 -1.951 6.903 -2.080 1.00 0.00 O ATOM 548 CB ALA A 46 -1.539 5.523 -5.070 1.00 0.00 C ATOM 0 H ALA A 46 -2.791 7.269 -6.272 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.302 5.837 -3.901 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.071 4.862 -4.340 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.068 4.926 -5.813 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.772 6.120 -5.563 1.00 0.00 H new ATOM 554 N VAL A 47 -1.088 8.262 -3.653 1.00 0.00 N ATOM 555 CA VAL A 47 -0.342 9.076 -2.701 1.00 0.00 C ATOM 556 C VAL A 47 -1.280 9.890 -1.819 1.00 0.00 C ATOM 557 O VAL A 47 -1.124 9.927 -0.599 1.00 0.00 O ATOM 558 CB VAL A 47 0.633 10.030 -3.415 1.00 0.00 C ATOM 559 CG1 VAL A 47 1.206 11.039 -2.433 1.00 0.00 C ATOM 560 CG2 VAL A 47 1.751 9.246 -4.086 1.00 0.00 C ATOM 0 H VAL A 47 -0.991 8.556 -4.625 1.00 0.00 H new ATOM 0 HA VAL A 47 0.230 8.387 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 47 0.083 10.572 -4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.893 11.705 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.396 11.623 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.741 10.513 -1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.430 9.936 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.299 8.678 -3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.326 8.561 -4.820 1.00 0.00 H new ATOM 570 N VAL A 48 -2.254 10.543 -2.444 1.00 0.00 N ATOM 571 CA VAL A 48 -3.175 11.416 -1.727 1.00 0.00 C ATOM 572 C VAL A 48 -4.029 10.627 -0.743 1.00 0.00 C ATOM 573 O VAL A 48 -4.238 11.052 0.393 1.00 0.00 O ATOM 574 CB VAL A 48 -4.097 12.183 -2.693 1.00 0.00 C ATOM 575 CG1 VAL A 48 -5.188 12.911 -1.923 1.00 0.00 C ATOM 576 CG2 VAL A 48 -3.292 13.164 -3.532 1.00 0.00 C ATOM 0 H VAL A 48 -2.426 10.484 -3.448 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.564 12.133 -1.179 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.569 11.464 -3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.830 13.448 -2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.783 12.189 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.734 13.619 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.960 13.697 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.793 13.878 -2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.546 12.620 -4.112 1.00 0.00 H new ATOM 586 N LYS A 49 -4.523 9.477 -1.188 1.00 0.00 N ATOM 587 CA LYS A 49 -5.315 8.601 -0.332 1.00 0.00 C ATOM 588 C LYS A 49 -4.462 7.994 0.775 1.00 0.00 C ATOM 589 O LYS A 49 -4.935 7.784 1.892 1.00 0.00 O ATOM 590 CB LYS A 49 -5.970 7.493 -1.158 1.00 0.00 C ATOM 591 CG LYS A 49 -7.101 7.967 -2.061 1.00 0.00 C ATOM 592 CD LYS A 49 -7.681 6.818 -2.871 1.00 0.00 C ATOM 593 CE LYS A 49 -8.797 7.294 -3.789 1.00 0.00 C ATOM 594 NZ LYS A 49 -9.376 6.180 -4.587 1.00 0.00 N ATOM 0 H LYS A 49 -4.389 9.129 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.095 9.205 0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.207 7.015 -1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.357 6.732 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.886 8.421 -1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.731 8.740 -2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.893 6.355 -3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.064 6.052 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.582 7.760 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.411 8.060 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.132 6.548 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.633 5.751 -5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.768 5.461 -3.946 1.00 0.00 H new ATOM 608 N ALA A 50 -3.202 7.715 0.457 1.00 0.00 N ATOM 609 CA ALA A 50 -2.261 7.197 1.443 1.00 0.00 C ATOM 610 C ALA A 50 -1.929 8.249 2.493 1.00 0.00 C ATOM 611 O ALA A 50 -1.730 7.930 3.665 1.00 0.00 O ATOM 612 CB ALA A 50 -0.993 6.707 0.759 1.00 0.00 C ATOM 0 H ALA A 50 -2.809 7.839 -0.476 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.733 6.355 1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.300 6.323 1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.243 5.913 0.055 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.526 7.533 0.223 1.00 0.00 H new ATOM 618 N LEU A 51 -1.869 9.506 2.065 1.00 0.00 N ATOM 619 CA LEU A 51 -1.658 10.618 2.984 1.00 0.00 C ATOM 620 C LEU A 51 -2.827 10.767 3.948 1.00 0.00 C ATOM 621 O LEU A 51 -2.635 11.009 5.140 1.00 0.00 O ATOM 622 CB LEU A 51 -1.445 11.919 2.200 1.00 0.00 C ATOM 623 CG LEU A 51 -0.094 12.035 1.481 1.00 0.00 C ATOM 624 CD1 LEU A 51 -0.101 13.238 0.547 1.00 0.00 C ATOM 625 CD2 LEU A 51 1.021 12.156 2.509 1.00 0.00 C ATOM 0 H LEU A 51 -1.964 9.780 1.087 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.764 10.406 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.241 12.014 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.546 12.759 2.887 1.00 0.00 H new ATOM 0 HG LEU A 51 0.077 11.140 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.862 13.312 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.892 13.119 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.278 14.146 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.980 12.238 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.858 13.044 3.120 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.025 11.272 3.147 1.00 0.00 H new ATOM 637 N ASP A 52 -4.040 10.619 3.427 1.00 0.00 N ATOM 638 CA ASP A 52 -5.240 10.652 4.255 1.00 0.00 C ATOM 639 C ASP A 52 -5.312 9.435 5.168 1.00 0.00 C ATOM 640 O ASP A 52 -5.771 9.528 6.307 1.00 0.00 O ATOM 641 CB ASP A 52 -6.493 10.726 3.380 1.00 0.00 C ATOM 642 CG ASP A 52 -6.718 12.078 2.716 1.00 0.00 C ATOM 643 OD1 ASP A 52 -6.065 13.021 3.096 1.00 0.00 O ATOM 644 OD2 ASP A 52 -7.420 12.126 1.734 1.00 0.00 O ATOM 0 H ASP A 52 -4.218 10.475 2.433 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.190 11.545 4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.426 9.961 2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.363 10.486 3.991 1.00 0.00 H new ATOM 649 N GLN A 53 -4.853 8.295 4.664 1.00 0.00 N ATOM 650 CA GLN A 53 -4.821 7.067 5.450 1.00 0.00 C ATOM 651 C GLN A 53 -3.862 7.193 6.627 1.00 0.00 C ATOM 652 O GLN A 53 -4.194 6.821 7.753 1.00 0.00 O ATOM 653 CB GLN A 53 -4.412 5.880 4.575 1.00 0.00 C ATOM 654 CG GLN A 53 -4.376 4.550 5.307 1.00 0.00 C ATOM 655 CD GLN A 53 -5.740 4.137 5.824 1.00 0.00 C ATOM 656 OE1 GLN A 53 -6.765 4.390 5.185 1.00 0.00 O ATOM 657 NE2 GLN A 53 -5.762 3.500 6.990 1.00 0.00 N ATOM 0 H GLN A 53 -4.497 8.196 3.713 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.825 6.896 5.838 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.107 5.803 3.739 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.426 6.077 4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.996 3.779 4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.679 4.617 6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.890 3.311 7.485 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.651 3.200 7.390 1.00 0.00 H new ATOM 666 N LEU A 54 -2.672 7.720 6.361 1.00 0.00 N ATOM 667 CA LEU A 54 -1.666 7.905 7.401 1.00 0.00 C ATOM 668 C LEU A 54 -2.129 8.915 8.443 1.00 0.00 C ATOM 669 O LEU A 54 -1.979 8.695 9.643 1.00 0.00 O ATOM 670 CB LEU A 54 -0.338 8.352 6.778 1.00 0.00 C ATOM 671 CG LEU A 54 0.380 7.288 5.938 1.00 0.00 C ATOM 672 CD1 LEU A 54 1.527 7.922 5.161 1.00 0.00 C ATOM 673 CD2 LEU A 54 0.892 6.181 6.847 1.00 0.00 C ATOM 0 H LEU A 54 -2.380 8.027 5.433 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.519 6.949 7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.525 9.223 6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.330 8.673 7.577 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.320 6.858 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.030 7.159 4.568 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.135 8.695 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.237 8.366 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.402 5.426 6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.589 6.600 7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.053 5.723 7.371 1.00 0.00 H new ATOM 685 N ALA A 55 -2.694 10.023 7.975 1.00 0.00 N ATOM 686 CA ALA A 55 -3.167 11.076 8.865 1.00 0.00 C ATOM 687 C ALA A 55 -4.320 10.586 9.732 1.00 0.00 C ATOM 688 O ALA A 55 -4.434 10.959 10.900 1.00 0.00 O ATOM 689 CB ALA A 55 -3.586 12.300 8.063 1.00 0.00 C ATOM 0 H ALA A 55 -2.835 10.215 6.983 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.345 11.355 9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.937 13.077 8.742 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.733 12.672 7.495 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.388 12.028 7.377 1.00 0.00 H new ATOM 695 N GLN A 56 -5.174 9.749 9.154 1.00 0.00 N ATOM 696 CA GLN A 56 -6.282 9.153 9.891 1.00 0.00 C ATOM 697 C GLN A 56 -5.777 8.208 10.974 1.00 0.00 C ATOM 698 O GLN A 56 -6.319 8.170 12.079 1.00 0.00 O ATOM 699 CB GLN A 56 -7.216 8.398 8.940 1.00 0.00 C ATOM 700 CG GLN A 56 -8.453 7.824 9.609 1.00 0.00 C ATOM 701 CD GLN A 56 -9.350 8.900 10.189 1.00 0.00 C ATOM 702 OE1 GLN A 56 -9.632 9.911 9.539 1.00 0.00 O ATOM 703 NE2 GLN A 56 -9.802 8.693 11.421 1.00 0.00 N ATOM 0 H GLN A 56 -5.120 9.467 8.175 1.00 0.00 H new ATOM 0 HA GLN A 56 -6.835 9.962 10.368 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.528 9.073 8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.660 7.586 8.471 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -9.016 7.238 8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.149 7.141 10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.544 7.843 11.923 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.407 9.384 11.865 1.00 0.00 H new ATOM 712 N GLU A 57 -4.738 7.446 10.650 1.00 0.00 N ATOM 713 CA GLU A 57 -4.136 6.525 11.607 1.00 0.00 C ATOM 714 C GLU A 57 -3.378 7.277 12.693 1.00 0.00 C ATOM 715 O GLU A 57 -3.272 6.808 13.827 1.00 0.00 O ATOM 716 CB GLU A 57 -3.199 5.548 10.893 1.00 0.00 C ATOM 717 CG GLU A 57 -3.907 4.531 10.009 1.00 0.00 C ATOM 718 CD GLU A 57 -2.925 3.748 9.182 1.00 0.00 C ATOM 719 OE1 GLU A 57 -1.746 3.947 9.348 1.00 0.00 O ATOM 720 OE2 GLU A 57 -3.348 2.871 8.465 1.00 0.00 O ATOM 0 H GLU A 57 -4.295 7.448 9.731 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.941 5.963 12.080 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.498 6.117 10.282 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.611 5.015 11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.488 3.849 10.629 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.611 5.044 9.353 1.00 0.00 H new ATOM 727 N GLY A 58 -2.852 8.445 12.341 1.00 0.00 N ATOM 728 CA GLY A 58 -2.084 9.253 13.280 1.00 0.00 C ATOM 729 C GLY A 58 -0.586 9.079 13.061 1.00 0.00 C ATOM 730 O GLY A 58 0.216 9.330 13.960 1.00 0.00 O ATOM 0 H GLY A 58 -2.944 8.853 11.411 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.352 10.303 13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.340 8.970 14.301 1.00 0.00 H new ATOM 734 N LYS A 59 -0.216 8.648 11.860 1.00 0.00 N ATOM 735 CA LYS A 59 1.186 8.431 11.523 1.00 0.00 C ATOM 736 C LYS A 59 1.848 9.722 11.061 1.00 0.00 C ATOM 737 O LYS A 59 3.021 9.966 11.344 1.00 0.00 O ATOM 738 CB LYS A 59 1.317 7.357 10.441 1.00 0.00 C ATOM 739 CG LYS A 59 0.753 5.998 10.832 1.00 0.00 C ATOM 740 CD LYS A 59 1.528 5.392 11.993 1.00 0.00 C ATOM 741 CE LYS A 59 0.962 4.035 12.389 1.00 0.00 C ATOM 742 NZ LYS A 59 1.694 3.442 13.540 1.00 0.00 N ATOM 0 H LYS A 59 -0.868 8.442 11.103 1.00 0.00 H new ATOM 0 HA LYS A 59 1.696 8.090 12.424 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.809 7.702 9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.371 7.240 10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.296 6.103 11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.792 5.325 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.577 5.284 11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.492 6.067 12.848 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.092 4.142 12.646 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.015 3.357 11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.278 2.519 13.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.695 3.315 13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.622 4.076 14.361 1.00 0.00 H new ATOM 756 N ILE A 60 1.090 10.549 10.349 1.00 0.00 N ATOM 757 CA ILE A 60 1.591 11.834 9.876 1.00 0.00 C ATOM 758 C ILE A 60 0.630 12.963 10.229 1.00 0.00 C ATOM 759 O ILE A 60 -0.548 12.728 10.494 1.00 0.00 O ATOM 760 CB ILE A 60 1.822 11.825 8.354 1.00 0.00 C ATOM 761 CG1 ILE A 60 0.491 11.667 7.613 1.00 0.00 C ATOM 762 CG2 ILE A 60 2.786 10.714 7.969 1.00 0.00 C ATOM 763 CD1 ILE A 60 0.618 11.737 6.108 1.00 0.00 C ATOM 0 H ILE A 60 0.124 10.352 10.086 1.00 0.00 H new ATOM 0 HA ILE A 60 2.544 12.003 10.377 1.00 0.00 H new ATOM 0 HB ILE A 60 2.265 12.778 8.064 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.045 10.711 7.886 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.195 12.446 7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.938 10.722 6.890 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.741 10.870 8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.371 9.752 8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.366 11.617 5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.034 12.703 5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.277 10.941 5.761 1.00 0.00 H new ATOM 775 N LYS A 61 1.142 14.189 10.229 1.00 0.00 N ATOM 776 CA LYS A 61 0.308 15.367 10.439 1.00 0.00 C ATOM 777 C LYS A 61 0.261 16.237 9.188 1.00 0.00 C ATOM 778 O LYS A 61 1.215 16.276 8.411 1.00 0.00 O ATOM 779 CB LYS A 61 0.821 16.182 11.627 1.00 0.00 C ATOM 780 CG LYS A 61 0.680 15.485 12.974 1.00 0.00 C ATOM 781 CD LYS A 61 1.300 16.311 14.091 1.00 0.00 C ATOM 782 CE LYS A 61 1.101 15.648 15.447 1.00 0.00 C ATOM 783 NZ LYS A 61 1.880 16.327 16.517 1.00 0.00 N ATOM 0 H LYS A 61 2.131 14.393 10.086 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.704 15.025 10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.872 16.420 11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.282 17.129 11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.375 15.313 13.188 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.160 14.507 12.932 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.365 16.442 13.901 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.854 17.305 14.101 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.042 15.661 15.705 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.402 14.602 15.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.665 15.888 17.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.897 16.234 16.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.624 17.335 16.547 1.00 0.00 H new ATOM 797 N GLU A 62 -0.855 16.932 9.001 1.00 0.00 N ATOM 798 CA GLU A 62 -1.046 17.769 7.822 1.00 0.00 C ATOM 799 C GLU A 62 -1.430 19.192 8.212 1.00 0.00 C ATOM 800 O GLU A 62 -2.137 19.405 9.199 1.00 0.00 O ATOM 801 CB GLU A 62 -2.116 17.169 6.907 1.00 0.00 C ATOM 802 CG GLU A 62 -3.535 17.269 7.447 1.00 0.00 C ATOM 803 CD GLU A 62 -4.518 16.605 6.524 1.00 0.00 C ATOM 804 OE1 GLU A 62 -4.602 17.004 5.388 1.00 0.00 O ATOM 805 OE2 GLU A 62 -5.107 15.626 6.921 1.00 0.00 O ATOM 0 H GLU A 62 -1.641 16.933 9.651 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.099 17.807 7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.072 17.670 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.880 16.119 6.733 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.586 16.804 8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.804 18.317 7.576 1.00 0.00 H new ATOM 812 N LYS A 63 -0.963 20.160 7.434 1.00 0.00 N ATOM 813 CA LYS A 63 -1.399 21.544 7.585 1.00 0.00 C ATOM 814 C LYS A 63 -1.648 22.193 6.229 1.00 0.00 C ATOM 815 O LYS A 63 -0.894 21.979 5.280 1.00 0.00 O ATOM 816 CB LYS A 63 -0.366 22.349 8.373 1.00 0.00 C ATOM 817 CG LYS A 63 -0.248 21.955 9.839 1.00 0.00 C ATOM 818 CD LYS A 63 0.723 22.864 10.579 1.00 0.00 C ATOM 819 CE LYS A 63 0.854 22.462 12.041 1.00 0.00 C ATOM 820 NZ LYS A 63 1.809 23.336 12.775 1.00 0.00 N ATOM 0 H LYS A 63 -0.281 20.013 6.690 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.338 21.539 8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.608 22.231 7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.624 23.406 8.313 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.229 22.006 10.312 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.089 20.921 9.914 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.701 22.822 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.380 23.896 10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.124 22.511 12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.188 21.426 12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.869 23.029 13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.749 23.270 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.477 24.321 12.737 1.00 0.00 H new ATOM 834 N THR A 64 -2.708 22.989 6.145 1.00 0.00 N ATOM 835 CA THR A 64 -3.076 23.646 4.897 1.00 0.00 C ATOM 836 C THR A 64 -2.397 25.002 4.767 1.00 0.00 C ATOM 837 O THR A 64 -2.607 25.894 5.590 1.00 0.00 O ATOM 838 CB THR A 64 -4.601 23.834 4.786 1.00 0.00 C ATOM 839 OG1 THR A 64 -5.249 22.557 4.853 1.00 0.00 O ATOM 840 CG2 THR A 64 -4.960 24.513 3.474 1.00 0.00 C ATOM 0 H THR A 64 -3.328 23.195 6.928 1.00 0.00 H new ATOM 0 HA THR A 64 -2.739 22.996 4.089 1.00 0.00 H new ATOM 0 HB THR A 64 -4.936 24.462 5.612 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.219 22.678 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.041 24.638 3.413 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.479 25.490 3.426 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.618 23.899 2.641 1.00 0.00 H new ATOM 848 N TYR A 65 -1.583 25.153 3.728 1.00 0.00 N ATOM 849 CA TYR A 65 -0.899 26.415 3.468 1.00 0.00 C ATOM 850 C TYR A 65 -1.373 27.038 2.161 1.00 0.00 C ATOM 851 O TYR A 65 -0.869 26.711 1.087 1.00 0.00 O ATOM 852 CB TYR A 65 0.617 26.204 3.428 1.00 0.00 C ATOM 853 CG TYR A 65 1.205 25.738 4.742 1.00 0.00 C ATOM 854 CD1 TYR A 65 1.636 26.652 5.692 1.00 0.00 C ATOM 855 CD2 TYR A 65 1.330 24.386 5.027 1.00 0.00 C ATOM 856 CE1 TYR A 65 2.174 26.233 6.893 1.00 0.00 C ATOM 857 CE2 TYR A 65 1.866 23.955 6.225 1.00 0.00 C ATOM 858 CZ TYR A 65 2.287 24.883 7.157 1.00 0.00 C ATOM 859 OH TYR A 65 2.823 24.460 8.351 1.00 0.00 O ATOM 0 H TYR A 65 -1.380 24.417 3.052 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.141 27.099 4.281 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.852 25.472 2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.097 27.139 3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.549 27.709 5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.003 23.658 4.300 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.505 26.958 7.622 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.955 22.899 6.431 1.00 0.00 H new ATOM 0 HH TYR A 65 2.830 23.480 8.378 1.00 0.00 H new ATOM 869 N GLY A 66 -2.345 27.939 2.261 1.00 0.00 N ATOM 870 CA GLY A 66 -2.941 28.557 1.082 1.00 0.00 C ATOM 871 C GLY A 66 -3.901 27.602 0.385 1.00 0.00 C ATOM 872 O GLY A 66 -4.939 27.237 0.937 1.00 0.00 O ATOM 0 H GLY A 66 -2.737 28.258 3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.473 29.463 1.373 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.155 28.857 0.389 1.00 0.00 H new ATOM 876 N LYS A 67 -3.547 27.198 -0.831 1.00 0.00 N ATOM 877 CA LYS A 67 -4.390 26.303 -1.617 1.00 0.00 C ATOM 878 C LYS A 67 -3.831 24.887 -1.625 1.00 0.00 C ATOM 879 O LYS A 67 -4.435 23.974 -2.190 1.00 0.00 O ATOM 880 CB LYS A 67 -4.533 26.822 -3.048 1.00 0.00 C ATOM 881 CG LYS A 67 -5.250 28.160 -3.164 1.00 0.00 C ATOM 882 CD LYS A 67 -5.383 28.594 -4.617 1.00 0.00 C ATOM 883 CE LYS A 67 -6.057 29.952 -4.731 1.00 0.00 C ATOM 884 NZ LYS A 67 -6.189 30.391 -6.146 1.00 0.00 N ATOM 0 H LYS A 67 -2.682 27.476 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.375 26.277 -1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.540 26.916 -3.488 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.074 26.082 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.239 28.085 -2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.702 28.918 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.396 28.636 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.960 27.852 -5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.045 29.906 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.480 30.691 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.653 31.321 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.245 30.460 -6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.761 29.700 -6.672 1.00 0.00 H new ATOM 898 N GLN A 68 -2.674 24.708 -0.997 1.00 0.00 N ATOM 899 CA GLN A 68 -2.012 23.409 -0.963 1.00 0.00 C ATOM 900 C GLN A 68 -1.810 22.933 0.470 1.00 0.00 C ATOM 901 O GLN A 68 -1.801 23.733 1.405 1.00 0.00 O ATOM 902 CB GLN A 68 -0.663 23.476 -1.681 1.00 0.00 C ATOM 903 CG GLN A 68 -0.754 23.874 -3.144 1.00 0.00 C ATOM 904 CD GLN A 68 0.603 23.921 -3.818 1.00 0.00 C ATOM 905 OE1 GLN A 68 1.643 23.803 -3.162 1.00 0.00 O ATOM 906 NE2 GLN A 68 0.604 24.099 -5.134 1.00 0.00 N ATOM 0 H GLN A 68 -2.174 25.448 -0.504 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.655 22.695 -1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.023 24.189 -1.161 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.178 22.502 -1.611 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.393 23.166 -3.671 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.229 24.852 -3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.279 24.192 -5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.487 24.143 -5.642 1.00 0.00 H new ATOM 915 N LYS A 69 -1.647 21.624 0.635 1.00 0.00 N ATOM 916 CA LYS A 69 -1.398 21.043 1.949 1.00 0.00 C ATOM 917 C LYS A 69 0.028 20.518 2.058 1.00 0.00 C ATOM 918 O LYS A 69 0.621 20.096 1.065 1.00 0.00 O ATOM 919 CB LYS A 69 -2.395 19.919 2.235 1.00 0.00 C ATOM 920 CG LYS A 69 -3.837 20.383 2.392 1.00 0.00 C ATOM 921 CD LYS A 69 -4.758 19.221 2.733 1.00 0.00 C ATOM 922 CE LYS A 69 -6.193 19.690 2.929 1.00 0.00 C ATOM 923 NZ LYS A 69 -7.100 18.569 3.295 1.00 0.00 N ATOM 0 H LYS A 69 -1.683 20.945 -0.126 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.529 21.830 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.346 19.192 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.091 19.403 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.895 21.138 3.176 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.172 20.856 1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.722 18.479 1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.407 18.730 3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.223 20.450 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.549 20.160 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.067 18.931 3.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.092 17.855 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.776 18.136 4.183 1.00 0.00 H new ATOM 937 N ILE A 70 0.573 20.546 3.269 1.00 0.00 N ATOM 938 CA ILE A 70 1.896 19.992 3.526 1.00 0.00 C ATOM 939 C ILE A 70 1.841 18.909 4.598 1.00 0.00 C ATOM 940 O ILE A 70 1.202 19.081 5.635 1.00 0.00 O ATOM 941 CB ILE A 70 2.891 21.083 3.964 1.00 0.00 C ATOM 942 CG1 ILE A 70 3.119 22.083 2.827 1.00 0.00 C ATOM 943 CG2 ILE A 70 4.208 20.458 4.400 1.00 0.00 C ATOM 944 CD1 ILE A 70 4.103 23.179 3.167 1.00 0.00 C ATOM 0 H ILE A 70 0.118 20.947 4.089 1.00 0.00 H new ATOM 0 HA ILE A 70 2.240 19.555 2.589 1.00 0.00 H new ATOM 0 HB ILE A 70 2.468 21.618 4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.477 21.545 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.165 22.535 2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.899 21.243 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.031 19.783 5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.638 19.899 3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.212 23.848 2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.737 23.743 4.025 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.070 22.738 3.408 1.00 0.00 H new ATOM 956 N TYR A 71 2.516 17.794 4.339 1.00 0.00 N ATOM 957 CA TYR A 71 2.464 16.643 5.234 1.00 0.00 C ATOM 958 C TYR A 71 3.839 16.328 5.806 1.00 0.00 C ATOM 959 O TYR A 71 4.856 16.492 5.131 1.00 0.00 O ATOM 960 CB TYR A 71 1.908 15.421 4.500 1.00 0.00 C ATOM 961 CG TYR A 71 0.456 15.554 4.098 1.00 0.00 C ATOM 962 CD1 TYR A 71 0.088 16.318 2.999 1.00 0.00 C ATOM 963 CD2 TYR A 71 -0.543 14.915 4.817 1.00 0.00 C ATOM 964 CE1 TYR A 71 -1.236 16.444 2.628 1.00 0.00 C ATOM 965 CE2 TYR A 71 -1.870 15.033 4.454 1.00 0.00 C ATOM 966 CZ TYR A 71 -2.214 15.799 3.359 1.00 0.00 C ATOM 967 OH TYR A 71 -3.534 15.920 2.994 1.00 0.00 O ATOM 0 H TYR A 71 3.105 17.663 3.517 1.00 0.00 H new ATOM 0 HA TYR A 71 1.800 16.893 6.062 1.00 0.00 H new ATOM 0 HB2 TYR A 71 2.507 15.243 3.607 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.019 14.545 5.139 1.00 0.00 H new ATOM 0 HD1 TYR A 71 0.850 16.823 2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.279 14.315 5.675 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.505 17.044 1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.635 14.528 5.025 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.047 16.292 3.741 1.00 0.00 H new ATOM 977 N PHE A 72 3.865 15.874 7.054 1.00 0.00 N ATOM 978 CA PHE A 72 5.110 15.468 7.696 1.00 0.00 C ATOM 979 C PHE A 72 4.863 14.387 8.742 1.00 0.00 C ATOM 980 O PHE A 72 3.796 14.335 9.354 1.00 0.00 O ATOM 981 CB PHE A 72 5.799 16.674 8.338 1.00 0.00 C ATOM 982 CG PHE A 72 4.974 17.349 9.398 1.00 0.00 C ATOM 983 CD1 PHE A 72 4.062 18.338 9.062 1.00 0.00 C ATOM 984 CD2 PHE A 72 5.110 16.996 10.732 1.00 0.00 C ATOM 985 CE1 PHE A 72 3.304 18.961 10.035 1.00 0.00 C ATOM 986 CE2 PHE A 72 4.352 17.617 11.707 1.00 0.00 C ATOM 987 CZ PHE A 72 3.451 18.600 11.359 1.00 0.00 C ATOM 0 H PHE A 72 3.037 15.778 7.642 1.00 0.00 H new ATOM 0 HA PHE A 72 5.763 15.055 6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.743 16.351 8.776 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.040 17.400 7.561 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.943 18.625 8.028 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.816 16.228 11.012 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.597 19.730 9.760 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.466 17.332 12.742 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.861 19.087 12.121 1.00 0.00 H new ATOM 997 N ALA A 73 5.855 13.526 8.940 1.00 0.00 N ATOM 998 CA ALA A 73 5.719 12.398 9.855 1.00 0.00 C ATOM 999 C ALA A 73 5.783 12.857 11.306 1.00 0.00 C ATOM 1000 O ALA A 73 6.514 13.788 11.642 1.00 0.00 O ATOM 1001 CB ALA A 73 6.794 11.358 9.577 1.00 0.00 C ATOM 0 H ALA A 73 6.763 13.587 8.479 1.00 0.00 H new ATOM 0 HA ALA A 73 4.742 11.944 9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.679 10.523 10.268 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.696 10.998 8.553 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.778 11.807 9.711 1.00 0.00 H new ATOM 1007 N ASP A 74 5.011 12.197 12.165 1.00 0.00 N ATOM 1008 CA ASP A 74 4.976 12.538 13.581 1.00 0.00 C ATOM 1009 C ASP A 74 4.071 11.586 14.354 1.00 0.00 C ATOM 1010 O ASP A 74 4.474 10.503 14.675 1.00 0.00 O ATOM 1011 CB ASP A 74 4.506 13.982 13.774 1.00 0.00 C ATOM 1012 CG ASP A 74 4.678 14.515 15.190 1.00 0.00 C ATOM 1013 OD1 ASP A 74 5.202 13.802 16.013 1.00 0.00 O ATOM 1014 OD2 ASP A 74 4.430 15.678 15.400 1.00 0.00 O ATOM 0 H ASP A 74 4.401 11.422 11.903 1.00 0.00 H new ATOM 0 HA ASP A 74 5.989 12.440 13.972 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.056 14.625 13.087 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.453 14.049 13.499 1.00 0.00 H new TER 1019 ASP A 74