USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 392 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 16 GLN : amide:sc= -13.6! C(o=-14!,f=-13!) USER MOD Set 1.2: A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.00615 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -167:sc= 0.146 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -156:sc= -3.55! (180deg=-5.81!) USER MOD Single : A 19 SER OG : rot -42:sc= 0.479 USER MOD Single : A 23 SER OG : rot -16:sc= 0.688 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -3.68! C(o=-4.3!,f=-3.7!) USER MOD Single : A 35 THR OG1 : rot 38:sc= 0.7 USER MOD Single : A 36 LYS NZ :NH3+ -170:sc= -0.78 (180deg=-1.76!) USER MOD Single : A 37 ASN : amide:sc= -7.47! C(o=-7.5!,f=-8!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 88:sc= 1.03 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.135 F(o=-2.7,f=-0.13) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 60:sc= 0.707 USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00381) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.761 -17.620 2.243 1.00 0.00 N ATOM 2 CA GLY A 1 28.868 -16.963 2.991 1.00 0.00 C ATOM 3 C GLY A 1 28.944 -15.473 2.723 1.00 0.00 C ATOM 4 O GLY A 1 27.919 -14.809 2.572 1.00 0.00 O ATOM 0 H1 GLY A 1 27.281 -18.304 2.863 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.079 -16.900 1.929 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.148 -18.115 1.415 1.00 0.00 H new ATOM 0 HA2 GLY A 1 28.730 -17.130 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.815 -17.427 2.715 1.00 0.00 H new ATOM 10 N SER A 2 30.163 -14.946 2.664 1.00 0.00 N ATOM 11 CA SER A 2 30.368 -13.523 2.413 1.00 0.00 C ATOM 12 C SER A 2 31.106 -13.301 1.098 1.00 0.00 C ATOM 13 O SER A 2 32.309 -13.544 0.999 1.00 0.00 O ATOM 14 CB SER A 2 31.150 -12.889 3.563 1.00 0.00 C ATOM 15 OG SER A 2 30.680 -13.354 4.817 1.00 0.00 O ATOM 0 H SER A 2 31.023 -15.481 2.786 1.00 0.00 H new ATOM 0 HA SER A 2 29.389 -13.049 2.342 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.210 -13.123 3.459 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.057 -11.804 3.516 1.00 0.00 H new ATOM 0 HG SER A 2 31.197 -12.935 5.536 1.00 0.00 H new ATOM 21 N PRO A 3 30.388 -12.831 0.067 1.00 0.00 N ATOM 22 CA PRO A 3 30.962 -12.570 -1.243 1.00 0.00 C ATOM 23 C PRO A 3 31.542 -11.164 -1.351 1.00 0.00 C ATOM 24 O PRO A 3 31.279 -10.306 -0.509 1.00 0.00 O ATOM 25 CB PRO A 3 29.769 -12.739 -2.182 1.00 0.00 C ATOM 26 CG PRO A 3 28.546 -12.481 -1.351 1.00 0.00 C ATOM 27 CD PRO A 3 28.956 -12.514 0.105 1.00 0.00 C ATOM 0 HA PRO A 3 31.797 -13.233 -1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 3 29.828 -12.040 -3.017 1.00 0.00 H new ATOM 0 HB3 PRO A 3 29.747 -13.742 -2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 3 28.111 -11.514 -1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 3 27.784 -13.235 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 3 28.773 -11.556 0.592 1.00 0.00 H new ATOM 0 HD3 PRO A 3 28.396 -13.267 0.660 1.00 0.00 H new ATOM 35 N PRO A 4 32.345 -10.910 -2.396 1.00 0.00 N ATOM 36 CA PRO A 4 32.971 -9.604 -2.619 1.00 0.00 C ATOM 37 C PRO A 4 31.991 -8.560 -3.157 1.00 0.00 C ATOM 38 O PRO A 4 32.296 -7.843 -4.109 1.00 0.00 O ATOM 39 CB PRO A 4 34.051 -9.911 -3.656 1.00 0.00 C ATOM 40 CG PRO A 4 33.528 -11.083 -4.414 1.00 0.00 C ATOM 41 CD PRO A 4 32.710 -11.887 -3.440 1.00 0.00 C ATOM 0 HA PRO A 4 33.352 -9.172 -1.693 1.00 0.00 H new ATOM 0 HB2 PRO A 4 34.222 -9.059 -4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 4 35.004 -10.141 -3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 4 32.919 -10.759 -5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 4 34.345 -11.679 -4.820 1.00 0.00 H new ATOM 0 HD2 PRO A 4 31.827 -12.313 -3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 4 33.282 -12.718 -3.028 1.00 0.00 H new ATOM 49 N GLU A 5 30.810 -8.485 -2.544 1.00 0.00 N ATOM 50 CA GLU A 5 29.792 -7.531 -2.973 1.00 0.00 C ATOM 51 C GLU A 5 28.857 -7.150 -1.828 1.00 0.00 C ATOM 52 O GLU A 5 27.665 -7.454 -1.870 1.00 0.00 O ATOM 53 CB GLU A 5 28.983 -8.107 -4.136 1.00 0.00 C ATOM 54 CG GLU A 5 28.069 -7.091 -4.802 1.00 0.00 C ATOM 55 CD GLU A 5 26.925 -7.742 -5.555 1.00 0.00 C ATOM 56 OE1 GLU A 5 26.737 -8.969 -5.405 1.00 0.00 O ATOM 57 OE2 GLU A 5 26.215 -7.027 -6.293 1.00 0.00 O ATOM 0 H GLU A 5 30.537 -9.070 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 5 30.306 -6.627 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 5 29.669 -8.510 -4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 5 28.382 -8.941 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 5 27.665 -6.419 -4.044 1.00 0.00 H new ATOM 0 HG3 GLU A 5 28.652 -6.480 -5.491 1.00 0.00 H new ATOM 64 N ALA A 6 29.418 -6.484 -0.816 1.00 0.00 N ATOM 65 CA ALA A 6 28.667 -6.038 0.360 1.00 0.00 C ATOM 66 C ALA A 6 28.967 -6.915 1.568 1.00 0.00 C ATOM 67 O ALA A 6 28.065 -7.320 2.301 1.00 0.00 O ATOM 68 CB ALA A 6 27.170 -5.998 0.091 1.00 0.00 C ATOM 0 H ALA A 6 30.408 -6.238 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 6 28.993 -5.022 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.648 -5.662 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.966 -5.308 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 6 26.822 -6.995 -0.180 1.00 0.00 H new ATOM 74 N ASP A 7 30.248 -7.182 1.773 1.00 0.00 N ATOM 75 CA ASP A 7 30.701 -7.988 2.894 1.00 0.00 C ATOM 76 C ASP A 7 31.188 -7.068 4.005 1.00 0.00 C ATOM 77 O ASP A 7 31.616 -5.948 3.739 1.00 0.00 O ATOM 78 CB ASP A 7 31.821 -8.938 2.443 1.00 0.00 C ATOM 79 CG ASP A 7 32.785 -9.296 3.562 1.00 0.00 C ATOM 80 OD1 ASP A 7 33.491 -8.390 4.052 1.00 0.00 O ATOM 81 OD2 ASP A 7 32.835 -10.484 3.944 1.00 0.00 O ATOM 0 H ASP A 7 30.999 -6.847 1.169 1.00 0.00 H new ATOM 0 HA ASP A 7 29.876 -8.593 3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 7 31.377 -9.852 2.048 1.00 0.00 H new ATOM 0 HB3 ASP A 7 32.376 -8.474 1.628 1.00 0.00 H new ATOM 86 N PRO A 8 31.127 -7.520 5.262 1.00 0.00 N ATOM 87 CA PRO A 8 31.563 -6.728 6.398 1.00 0.00 C ATOM 88 C PRO A 8 32.710 -5.785 6.040 1.00 0.00 C ATOM 89 O PRO A 8 32.625 -4.582 6.265 1.00 0.00 O ATOM 90 CB PRO A 8 32.016 -7.803 7.379 1.00 0.00 C ATOM 91 CG PRO A 8 31.114 -8.967 7.112 1.00 0.00 C ATOM 92 CD PRO A 8 30.629 -8.839 5.682 1.00 0.00 C ATOM 0 HA PRO A 8 30.786 -6.070 6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 8 33.061 -8.068 7.221 1.00 0.00 H new ATOM 0 HB3 PRO A 8 31.926 -7.461 8.410 1.00 0.00 H new ATOM 0 HG2 PRO A 8 31.647 -9.907 7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 8 30.273 -8.969 7.805 1.00 0.00 H new ATOM 0 HD2 PRO A 8 31.025 -9.636 5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 8 29.542 -8.895 5.621 1.00 0.00 H new ATOM 100 N ARG A 9 33.779 -6.343 5.483 1.00 0.00 N ATOM 101 CA ARG A 9 34.952 -5.559 5.096 1.00 0.00 C ATOM 102 C ARG A 9 34.630 -4.524 4.013 1.00 0.00 C ATOM 103 O ARG A 9 35.246 -3.461 3.957 1.00 0.00 O ATOM 104 CB ARG A 9 36.052 -6.493 4.600 1.00 0.00 C ATOM 105 CG ARG A 9 36.357 -7.637 5.553 1.00 0.00 C ATOM 106 CD ARG A 9 37.274 -8.669 4.914 1.00 0.00 C ATOM 107 NE ARG A 9 36.648 -9.985 4.835 1.00 0.00 N ATOM 108 CZ ARG A 9 36.333 -10.720 5.898 1.00 0.00 C ATOM 109 NH1 ARG A 9 36.584 -10.267 7.120 1.00 0.00 N ATOM 110 NH2 ARG A 9 35.767 -11.908 5.738 1.00 0.00 N ATOM 0 H ARG A 9 33.860 -7.341 5.287 1.00 0.00 H new ATOM 0 HA ARG A 9 35.287 -5.015 5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 9 35.759 -6.905 3.634 1.00 0.00 H new ATOM 0 HB3 ARG A 9 36.962 -5.915 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 9 36.824 -7.244 6.456 1.00 0.00 H new ATOM 0 HG3 ARG A 9 35.426 -8.116 5.858 1.00 0.00 H new ATOM 0 HD2 ARG A 9 37.549 -8.338 3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 9 38.196 -8.741 5.491 1.00 0.00 H new ATOM 0 HE ARG A 9 36.440 -10.363 3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 9 37.019 -9.353 7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 9 36.341 -10.833 7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 9 35.573 -12.258 4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 9 35.525 -12.472 6.553 1.00 0.00 H new ATOM 124 N LEU A 10 33.675 -4.848 3.154 1.00 0.00 N ATOM 125 CA LEU A 10 33.281 -3.959 2.075 1.00 0.00 C ATOM 126 C LEU A 10 32.183 -3.011 2.543 1.00 0.00 C ATOM 127 O LEU A 10 32.204 -1.814 2.257 1.00 0.00 O ATOM 128 CB LEU A 10 32.826 -4.761 0.857 1.00 0.00 C ATOM 129 CG LEU A 10 33.936 -5.552 0.151 1.00 0.00 C ATOM 130 CD1 LEU A 10 34.472 -4.773 -1.040 1.00 0.00 C ATOM 131 CD2 LEU A 10 35.066 -5.879 1.118 1.00 0.00 C ATOM 0 H LEU A 10 33.157 -5.726 3.185 1.00 0.00 H new ATOM 0 HA LEU A 10 34.145 -3.363 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 10 32.047 -5.456 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 10 32.374 -4.077 0.138 1.00 0.00 H new ATOM 0 HG LEU A 10 33.508 -6.488 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 10 35.258 -5.349 -1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 10 33.664 -4.589 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 10 34.879 -3.821 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 10 35.841 -6.440 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 10 35.489 -4.954 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 10 34.678 -6.478 1.942 1.00 0.00 H new ATOM 143 N ILE A 11 31.255 -3.531 3.322 1.00 0.00 N ATOM 144 CA ILE A 11 30.209 -2.690 3.867 1.00 0.00 C ATOM 145 C ILE A 11 30.815 -1.809 4.949 1.00 0.00 C ATOM 146 O ILE A 11 30.309 -0.731 5.261 1.00 0.00 O ATOM 147 CB ILE A 11 29.038 -3.509 4.444 1.00 0.00 C ATOM 148 CG1 ILE A 11 29.538 -4.494 5.503 1.00 0.00 C ATOM 149 CG2 ILE A 11 28.311 -4.247 3.328 1.00 0.00 C ATOM 150 CD1 ILE A 11 28.599 -5.657 5.736 1.00 0.00 C ATOM 0 H ILE A 11 31.203 -4.514 3.588 1.00 0.00 H new ATOM 0 HA ILE A 11 29.799 -2.084 3.060 1.00 0.00 H new ATOM 0 HB ILE A 11 28.338 -2.823 4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 11 30.512 -4.879 5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 11 29.685 -3.962 6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 11 27.486 -4.822 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 11 27.921 -3.526 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 11 29.004 -4.922 2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 11 29.016 -6.315 6.499 1.00 0.00 H new ATOM 0 HD12 ILE A 11 27.632 -5.282 6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 11 28.472 -6.213 4.807 1.00 0.00 H new ATOM 162 N GLU A 12 31.937 -2.282 5.486 1.00 0.00 N ATOM 163 CA GLU A 12 32.675 -1.552 6.509 1.00 0.00 C ATOM 164 C GLU A 12 33.834 -0.764 5.895 1.00 0.00 C ATOM 165 O GLU A 12 33.933 0.452 6.066 1.00 0.00 O ATOM 166 CB GLU A 12 33.206 -2.508 7.578 1.00 0.00 C ATOM 167 CG GLU A 12 33.864 -1.807 8.754 1.00 0.00 C ATOM 168 CD GLU A 12 33.555 -2.477 10.078 1.00 0.00 C ATOM 169 OE1 GLU A 12 32.360 -2.587 10.424 1.00 0.00 O ATOM 170 OE2 GLU A 12 34.508 -2.891 10.770 1.00 0.00 O ATOM 0 H GLU A 12 32.356 -3.175 5.226 1.00 0.00 H new ATOM 0 HA GLU A 12 31.986 -0.848 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 12 32.383 -3.120 7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 12 33.927 -3.185 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 12 34.943 -1.788 8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 12 33.529 -0.770 8.788 1.00 0.00 H new ATOM 177 N SER A 13 34.737 -1.480 5.222 1.00 0.00 N ATOM 178 CA SER A 13 35.929 -0.869 4.630 1.00 0.00 C ATOM 179 C SER A 13 35.752 -0.420 3.172 1.00 0.00 C ATOM 180 O SER A 13 36.389 0.548 2.755 1.00 0.00 O ATOM 181 CB SER A 13 37.107 -1.843 4.717 1.00 0.00 C ATOM 182 OG SER A 13 36.842 -2.883 5.643 1.00 0.00 O ATOM 0 H SER A 13 34.665 -2.486 5.073 1.00 0.00 H new ATOM 0 HA SER A 13 36.119 0.034 5.210 1.00 0.00 H new ATOM 0 HB2 SER A 13 37.304 -2.269 3.733 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.006 -1.305 5.017 1.00 0.00 H new ATOM 0 HG SER A 13 37.670 -3.373 5.830 1.00 0.00 H new ATOM 188 N LEU A 14 34.921 -1.104 2.383 1.00 0.00 N ATOM 189 CA LEU A 14 34.756 -0.697 0.982 1.00 0.00 C ATOM 190 C LEU A 14 33.989 0.603 0.912 1.00 0.00 C ATOM 191 O LEU A 14 34.512 1.605 0.427 1.00 0.00 O ATOM 192 CB LEU A 14 34.079 -1.772 0.122 1.00 0.00 C ATOM 193 CG LEU A 14 33.591 -1.290 -1.246 1.00 0.00 C ATOM 194 CD1 LEU A 14 34.458 -1.862 -2.358 1.00 0.00 C ATOM 195 CD2 LEU A 14 32.133 -1.674 -1.452 1.00 0.00 C ATOM 0 H LEU A 14 34.370 -1.912 2.672 1.00 0.00 H new ATOM 0 HA LEU A 14 35.754 -0.557 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 14 34.781 -2.592 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 14 33.230 -2.176 0.673 1.00 0.00 H new ATOM 0 HG LEU A 14 33.671 -0.203 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 14 34.094 -1.507 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 14 35.489 -1.539 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 14 34.412 -2.951 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 14 31.799 -1.325 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 14 32.031 -2.758 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 14 31.522 -1.215 -0.675 1.00 0.00 H new ATOM 207 N SER A 15 32.760 0.606 1.416 1.00 0.00 N ATOM 208 CA SER A 15 31.968 1.832 1.416 1.00 0.00 C ATOM 209 C SER A 15 32.876 3.000 1.778 1.00 0.00 C ATOM 210 O SER A 15 33.051 3.934 1.001 1.00 0.00 O ATOM 211 CB SER A 15 30.811 1.732 2.411 1.00 0.00 C ATOM 212 OG SER A 15 29.566 1.645 1.739 1.00 0.00 O ATOM 0 H SER A 15 32.297 -0.207 1.822 1.00 0.00 H new ATOM 0 HA SER A 15 31.542 1.987 0.425 1.00 0.00 H new ATOM 0 HB2 SER A 15 30.947 0.856 3.045 1.00 0.00 H new ATOM 0 HB3 SER A 15 30.814 2.603 3.066 1.00 0.00 H new ATOM 0 HG SER A 15 28.843 1.580 2.397 1.00 0.00 H new ATOM 218 N GLN A 16 33.457 2.925 2.968 1.00 0.00 N ATOM 219 CA GLN A 16 34.364 3.955 3.441 1.00 0.00 C ATOM 220 C GLN A 16 35.236 4.457 2.298 1.00 0.00 C ATOM 221 O GLN A 16 35.579 5.634 2.234 1.00 0.00 O ATOM 222 CB GLN A 16 35.254 3.400 4.555 1.00 0.00 C ATOM 223 CG GLN A 16 35.803 4.466 5.488 1.00 0.00 C ATOM 224 CD GLN A 16 36.580 5.546 4.757 1.00 0.00 C ATOM 225 OE1 GLN A 16 36.483 6.727 5.089 1.00 0.00 O ATOM 226 NE2 GLN A 16 37.361 5.145 3.758 1.00 0.00 N ATOM 0 H GLN A 16 33.314 2.157 3.624 1.00 0.00 H new ATOM 0 HA GLN A 16 33.773 4.784 3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 16 34.682 2.679 5.139 1.00 0.00 H new ATOM 0 HB3 GLN A 16 36.087 2.859 4.106 1.00 0.00 H new ATOM 0 HG2 GLN A 16 34.978 4.925 6.033 1.00 0.00 H new ATOM 0 HG3 GLN A 16 36.451 3.996 6.227 1.00 0.00 H new ATOM 0 HE21 GLN A 16 37.412 4.155 3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 16 37.909 5.827 3.234 1.00 0.00 H new ATOM 235 N MET A 17 35.598 3.548 1.400 1.00 0.00 N ATOM 236 CA MET A 17 36.440 3.888 0.263 1.00 0.00 C ATOM 237 C MET A 17 35.640 4.546 -0.857 1.00 0.00 C ATOM 238 O MET A 17 36.179 5.356 -1.610 1.00 0.00 O ATOM 239 CB MET A 17 37.149 2.641 -0.267 1.00 0.00 C ATOM 240 CG MET A 17 37.717 2.815 -1.664 1.00 0.00 C ATOM 241 SD MET A 17 38.991 4.086 -1.737 1.00 0.00 S ATOM 242 CE MET A 17 40.447 3.129 -1.316 1.00 0.00 C ATOM 0 H MET A 17 35.320 2.567 1.439 1.00 0.00 H new ATOM 0 HA MET A 17 37.183 4.606 0.611 1.00 0.00 H new ATOM 0 HB2 MET A 17 37.957 2.375 0.415 1.00 0.00 H new ATOM 0 HB3 MET A 17 36.447 1.807 -0.270 1.00 0.00 H new ATOM 0 HG2 MET A 17 38.134 1.867 -2.004 1.00 0.00 H new ATOM 0 HG3 MET A 17 36.911 3.073 -2.351 1.00 0.00 H new ATOM 0 HE1 MET A 17 41.211 3.790 -0.907 1.00 0.00 H new ATOM 0 HE2 MET A 17 40.185 2.375 -0.574 1.00 0.00 H new ATOM 0 HE3 MET A 17 40.832 2.640 -2.211 1.00 0.00 H new ATOM 252 N LEU A 18 34.353 4.214 -0.968 1.00 0.00 N ATOM 253 CA LEU A 18 33.514 4.810 -2.008 1.00 0.00 C ATOM 254 C LEU A 18 32.714 6.000 -1.470 1.00 0.00 C ATOM 255 O LEU A 18 32.969 7.149 -1.832 1.00 0.00 O ATOM 256 CB LEU A 18 32.555 3.769 -2.586 1.00 0.00 C ATOM 257 CG LEU A 18 31.340 4.354 -3.306 1.00 0.00 C ATOM 258 CD1 LEU A 18 31.753 4.974 -4.632 1.00 0.00 C ATOM 259 CD2 LEU A 18 30.276 3.288 -3.521 1.00 0.00 C ATOM 0 H LEU A 18 33.875 3.547 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 18 34.177 5.168 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 18 33.104 3.136 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 18 32.207 3.126 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 18 30.915 5.137 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 18 30.875 5.385 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 18 32.475 5.771 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 18 32.205 4.211 -5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 18 29.420 3.726 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 18 30.688 2.480 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 18 29.957 2.893 -2.557 1.00 0.00 H new ATOM 271 N SER A 19 31.716 5.704 -0.638 1.00 0.00 N ATOM 272 CA SER A 19 30.818 6.717 -0.061 1.00 0.00 C ATOM 273 C SER A 19 31.524 7.846 0.706 1.00 0.00 C ATOM 274 O SER A 19 30.856 8.716 1.263 1.00 0.00 O ATOM 275 CB SER A 19 29.808 6.039 0.866 1.00 0.00 C ATOM 276 OG SER A 19 28.719 6.898 1.151 1.00 0.00 O ATOM 0 H SER A 19 31.503 4.752 -0.341 1.00 0.00 H new ATOM 0 HA SER A 19 30.329 7.191 -0.912 1.00 0.00 H new ATOM 0 HB2 SER A 19 29.441 5.124 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 19 30.300 5.750 1.795 1.00 0.00 H new ATOM 0 HG SER A 19 29.053 7.803 1.322 1.00 0.00 H new ATOM 282 N MET A 20 32.850 7.868 0.716 1.00 0.00 N ATOM 283 CA MET A 20 33.571 8.935 1.396 1.00 0.00 C ATOM 284 C MET A 20 34.005 9.977 0.381 1.00 0.00 C ATOM 285 O MET A 20 34.229 11.142 0.715 1.00 0.00 O ATOM 286 CB MET A 20 34.787 8.386 2.136 1.00 0.00 C ATOM 287 CG MET A 20 34.478 7.942 3.556 1.00 0.00 C ATOM 288 SD MET A 20 35.114 9.090 4.792 1.00 0.00 S ATOM 289 CE MET A 20 34.134 8.631 6.219 1.00 0.00 C ATOM 0 H MET A 20 33.442 7.169 0.267 1.00 0.00 H new ATOM 0 HA MET A 20 32.908 9.393 2.130 1.00 0.00 H new ATOM 0 HB2 MET A 20 35.192 7.541 1.579 1.00 0.00 H new ATOM 0 HB3 MET A 20 35.563 9.151 2.163 1.00 0.00 H new ATOM 0 HG2 MET A 20 33.399 7.845 3.676 1.00 0.00 H new ATOM 0 HG3 MET A 20 34.908 6.955 3.726 1.00 0.00 H new ATOM 0 HE1 MET A 20 34.413 9.255 7.068 1.00 0.00 H new ATOM 0 HE2 MET A 20 33.077 8.774 5.995 1.00 0.00 H new ATOM 0 HE3 MET A 20 34.315 7.584 6.463 1.00 0.00 H new ATOM 299 N GLY A 21 34.119 9.538 -0.865 1.00 0.00 N ATOM 300 CA GLY A 21 34.526 10.425 -1.932 1.00 0.00 C ATOM 301 C GLY A 21 35.875 10.050 -2.508 1.00 0.00 C ATOM 302 O GLY A 21 36.576 10.898 -3.061 1.00 0.00 O ATOM 0 H GLY A 21 33.935 8.578 -1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 21 33.777 10.405 -2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 21 34.565 11.447 -1.556 1.00 0.00 H new ATOM 306 N PHE A 22 36.243 8.776 -2.386 1.00 0.00 N ATOM 307 CA PHE A 22 37.506 8.296 -2.903 1.00 0.00 C ATOM 308 C PHE A 22 37.288 6.962 -3.595 1.00 0.00 C ATOM 309 O PHE A 22 36.165 6.462 -3.654 1.00 0.00 O ATOM 310 CB PHE A 22 38.529 8.141 -1.773 1.00 0.00 C ATOM 311 CG PHE A 22 38.855 9.428 -1.064 1.00 0.00 C ATOM 312 CD1 PHE A 22 37.868 10.144 -0.405 1.00 0.00 C ATOM 313 CD2 PHE A 22 40.152 9.918 -1.053 1.00 0.00 C ATOM 314 CE1 PHE A 22 38.169 11.323 0.251 1.00 0.00 C ATOM 315 CE2 PHE A 22 40.458 11.096 -0.398 1.00 0.00 C ATOM 316 CZ PHE A 22 39.465 11.800 0.254 1.00 0.00 C ATOM 0 H PHE A 22 35.676 8.061 -1.930 1.00 0.00 H new ATOM 0 HA PHE A 22 37.896 9.020 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE A 22 38.147 7.424 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 22 39.447 7.721 -2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 22 36.852 9.777 -0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 22 40.933 9.373 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 22 37.391 11.871 0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 22 41.473 11.466 -0.396 1.00 0.00 H new ATOM 0 HZ PHE A 22 39.701 12.722 0.765 1.00 0.00 H new ATOM 326 N SER A 23 38.354 6.384 -4.107 1.00 0.00 N ATOM 327 CA SER A 23 38.255 5.103 -4.779 1.00 0.00 C ATOM 328 C SER A 23 39.649 4.511 -4.979 1.00 0.00 C ATOM 329 O SER A 23 40.431 4.446 -4.035 1.00 0.00 O ATOM 330 CB SER A 23 37.528 5.261 -6.116 1.00 0.00 C ATOM 331 OG SER A 23 36.202 5.721 -5.924 1.00 0.00 O ATOM 0 H SER A 23 39.295 6.777 -4.072 1.00 0.00 H new ATOM 0 HA SER A 23 37.677 4.417 -4.160 1.00 0.00 H new ATOM 0 HB2 SER A 23 38.072 5.963 -6.748 1.00 0.00 H new ATOM 0 HB3 SER A 23 37.512 4.305 -6.640 1.00 0.00 H new ATOM 0 HG SER A 23 35.944 5.594 -4.987 1.00 0.00 H new ATOM 337 N ASP A 24 39.971 4.083 -6.198 1.00 0.00 N ATOM 338 CA ASP A 24 41.284 3.521 -6.476 1.00 0.00 C ATOM 339 C ASP A 24 41.996 4.364 -7.528 1.00 0.00 C ATOM 340 O ASP A 24 41.528 4.476 -8.660 1.00 0.00 O ATOM 341 CB ASP A 24 41.148 2.078 -6.960 1.00 0.00 C ATOM 342 CG ASP A 24 40.590 1.990 -8.367 1.00 0.00 C ATOM 343 OD1 ASP A 24 39.825 2.896 -8.760 1.00 0.00 O ATOM 344 OD2 ASP A 24 40.914 1.013 -9.075 1.00 0.00 O ATOM 0 H ASP A 24 39.343 4.116 -7.001 1.00 0.00 H new ATOM 0 HA ASP A 24 41.873 3.527 -5.559 1.00 0.00 H new ATOM 0 HB2 ASP A 24 42.124 1.594 -6.928 1.00 0.00 H new ATOM 0 HB3 ASP A 24 40.497 1.529 -6.279 1.00 0.00 H new ATOM 349 N GLU A 25 43.120 4.969 -7.156 1.00 0.00 N ATOM 350 CA GLU A 25 43.862 5.807 -8.096 1.00 0.00 C ATOM 351 C GLU A 25 43.941 5.138 -9.456 1.00 0.00 C ATOM 352 O GLU A 25 43.692 5.759 -10.489 1.00 0.00 O ATOM 353 CB GLU A 25 45.266 6.106 -7.573 1.00 0.00 C ATOM 354 CG GLU A 25 45.861 7.393 -8.120 1.00 0.00 C ATOM 355 CD GLU A 25 47.336 7.258 -8.445 1.00 0.00 C ATOM 356 OE1 GLU A 25 48.084 6.729 -7.597 1.00 0.00 O ATOM 357 OE2 GLU A 25 47.742 7.680 -9.548 1.00 0.00 O ATOM 0 H GLU A 25 43.533 4.898 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 25 43.327 6.751 -8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 25 45.234 6.165 -6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 25 45.924 5.275 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 25 45.319 7.687 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 25 45.724 8.191 -7.391 1.00 0.00 H new ATOM 364 N GLY A 26 44.278 3.864 -9.439 1.00 0.00 N ATOM 365 CA GLY A 26 44.381 3.100 -10.666 1.00 0.00 C ATOM 366 C GLY A 26 43.639 1.783 -10.576 1.00 0.00 C ATOM 367 O GLY A 26 42.564 1.627 -11.153 1.00 0.00 O ATOM 0 H GLY A 26 44.485 3.337 -8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 26 43.981 3.686 -11.493 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.431 2.910 -10.888 1.00 0.00 H new ATOM 371 N GLY A 27 44.217 0.833 -9.849 1.00 0.00 N ATOM 372 CA GLY A 27 43.604 -0.469 -9.690 1.00 0.00 C ATOM 373 C GLY A 27 44.261 -1.248 -8.572 1.00 0.00 C ATOM 374 O GLY A 27 44.389 -2.471 -8.639 1.00 0.00 O ATOM 0 H GLY A 27 45.107 0.945 -9.364 1.00 0.00 H new ATOM 0 HA2 GLY A 27 42.541 -0.351 -9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 27 43.684 -1.028 -10.622 1.00 0.00 H new ATOM 378 N TRP A 28 44.681 -0.523 -7.540 1.00 0.00 N ATOM 379 CA TRP A 28 45.337 -1.127 -6.389 1.00 0.00 C ATOM 380 C TRP A 28 44.335 -1.397 -5.283 1.00 0.00 C ATOM 381 O TRP A 28 44.508 -2.322 -4.496 1.00 0.00 O ATOM 382 CB TRP A 28 46.441 -0.215 -5.862 1.00 0.00 C ATOM 383 CG TRP A 28 45.992 1.196 -5.654 1.00 0.00 C ATOM 384 CD1 TRP A 28 46.326 2.270 -6.414 1.00 0.00 C ATOM 385 CD2 TRP A 28 45.123 1.688 -4.624 1.00 0.00 C ATOM 386 NE1 TRP A 28 45.734 3.402 -5.915 1.00 0.00 N ATOM 387 CE2 TRP A 28 44.988 3.072 -4.820 1.00 0.00 C ATOM 388 CE3 TRP A 28 44.450 1.095 -3.558 1.00 0.00 C ATOM 389 CZ2 TRP A 28 44.208 3.873 -3.990 1.00 0.00 C ATOM 390 CZ3 TRP A 28 43.675 1.887 -2.732 1.00 0.00 C ATOM 391 CH2 TRP A 28 43.560 3.263 -2.951 1.00 0.00 C ATOM 0 H TRP A 28 44.577 0.490 -7.479 1.00 0.00 H new ATOM 0 HA TRP A 28 45.776 -2.072 -6.711 1.00 0.00 H new ATOM 0 HB2 TRP A 28 46.813 -0.614 -4.918 1.00 0.00 H new ATOM 0 HB3 TRP A 28 47.276 -0.224 -6.563 1.00 0.00 H new ATOM 0 HD1 TRP A 28 46.965 2.238 -7.284 1.00 0.00 H new ATOM 0 HE1 TRP A 28 45.835 4.341 -6.300 1.00 0.00 H new ATOM 0 HE3 TRP A 28 44.533 0.033 -3.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 44.118 4.936 -4.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 43.149 1.435 -1.904 1.00 0.00 H new ATOM 0 HH2 TRP A 28 42.948 3.856 -2.287 1.00 0.00 H new ATOM 402 N LEU A 29 43.285 -0.579 -5.224 1.00 0.00 N ATOM 403 CA LEU A 29 42.258 -0.737 -4.205 1.00 0.00 C ATOM 404 C LEU A 29 42.020 -2.214 -3.937 1.00 0.00 C ATOM 405 O LEU A 29 42.375 -2.730 -2.878 1.00 0.00 O ATOM 406 CB LEU A 29 40.959 -0.060 -4.641 1.00 0.00 C ATOM 407 CG LEU A 29 39.694 -0.635 -4.006 1.00 0.00 C ATOM 408 CD1 LEU A 29 39.632 -0.258 -2.537 1.00 0.00 C ATOM 409 CD2 LEU A 29 38.452 -0.147 -4.737 1.00 0.00 C ATOM 0 H LEU A 29 43.127 0.196 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 29 42.600 -0.260 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 29 41.020 1.001 -4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 29 40.872 -0.136 -5.725 1.00 0.00 H new ATOM 0 HG LEU A 29 39.727 -1.721 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 29 38.727 -0.672 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 29 40.505 -0.658 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 29 39.619 0.828 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.564 -0.569 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.405 0.941 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.496 -0.462 -5.779 1.00 0.00 H new ATOM 421 N THR A 30 41.426 -2.890 -4.909 1.00 0.00 N ATOM 422 CA THR A 30 41.152 -4.315 -4.782 1.00 0.00 C ATOM 423 C THR A 30 42.302 -5.008 -4.056 1.00 0.00 C ATOM 424 O THR A 30 42.097 -5.967 -3.313 1.00 0.00 O ATOM 425 CB THR A 30 40.948 -4.940 -6.162 1.00 0.00 C ATOM 426 OG1 THR A 30 42.144 -4.880 -6.920 1.00 0.00 O ATOM 427 CG2 THR A 30 39.858 -4.266 -6.966 1.00 0.00 C ATOM 0 H THR A 30 41.125 -2.477 -5.792 1.00 0.00 H new ATOM 0 HA THR A 30 40.239 -4.445 -4.201 1.00 0.00 H new ATOM 0 HB THR A 30 40.652 -5.972 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 30 41.995 -5.286 -7.799 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.764 -4.757 -7.935 1.00 0.00 H new ATOM 0 HG22 THR A 30 38.912 -4.338 -6.429 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.112 -3.216 -7.114 1.00 0.00 H new ATOM 435 N ARG A 31 43.513 -4.507 -4.280 1.00 0.00 N ATOM 436 CA ARG A 31 44.707 -5.060 -3.655 1.00 0.00 C ATOM 437 C ARG A 31 44.968 -4.398 -2.301 1.00 0.00 C ATOM 438 O ARG A 31 44.988 -5.070 -1.269 1.00 0.00 O ATOM 439 CB ARG A 31 45.912 -4.887 -4.597 1.00 0.00 C ATOM 440 CG ARG A 31 47.143 -4.266 -3.950 1.00 0.00 C ATOM 441 CD ARG A 31 48.409 -4.603 -4.722 1.00 0.00 C ATOM 442 NE ARG A 31 49.475 -3.644 -4.462 1.00 0.00 N ATOM 443 CZ ARG A 31 50.140 -3.580 -3.314 1.00 0.00 C ATOM 444 NH1 ARG A 31 49.839 -4.414 -2.326 1.00 0.00 N ATOM 445 NH2 ARG A 31 51.102 -2.684 -3.151 1.00 0.00 N ATOM 0 H ARG A 31 43.692 -3.713 -4.895 1.00 0.00 H new ATOM 0 HA ARG A 31 44.553 -6.124 -3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 31 46.184 -5.863 -5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 31 45.610 -4.266 -5.441 1.00 0.00 H new ATOM 0 HG2 ARG A 31 47.023 -3.184 -3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 31 47.235 -4.623 -2.924 1.00 0.00 H new ATOM 0 HD2 ARG A 31 48.746 -5.603 -4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 31 48.189 -4.621 -5.789 1.00 0.00 H new ATOM 0 HE ARG A 31 49.724 -2.987 -5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 31 49.097 -5.103 -2.449 1.00 0.00 H new ATOM 0 HH12 ARG A 31 50.349 -4.365 -1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 31 51.334 -2.041 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 31 51.611 -2.637 -2.268 1.00 0.00 H new ATOM 459 N LEU A 32 45.168 -3.079 -2.315 1.00 0.00 N ATOM 460 CA LEU A 32 45.429 -2.325 -1.093 1.00 0.00 C ATOM 461 C LEU A 32 44.677 -2.933 0.090 1.00 0.00 C ATOM 462 O LEU A 32 45.294 -3.420 1.036 1.00 0.00 O ATOM 463 CB LEU A 32 45.035 -0.862 -1.302 1.00 0.00 C ATOM 464 CG LEU A 32 45.164 0.047 -0.081 1.00 0.00 C ATOM 465 CD1 LEU A 32 44.117 -0.299 0.963 1.00 0.00 C ATOM 466 CD2 LEU A 32 46.564 -0.043 0.506 1.00 0.00 C ATOM 0 H LEU A 32 45.154 -2.512 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 32 46.494 -2.373 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.650 -0.451 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.001 -0.830 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 32 44.993 1.075 -0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.229 0.361 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 32 43.122 -0.174 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.248 -1.333 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.637 0.611 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.767 -1.071 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 32 47.293 0.266 -0.243 1.00 0.00 H new ATOM 478 N LEU A 33 43.348 -2.933 0.021 1.00 0.00 N ATOM 479 CA LEU A 33 42.539 -3.521 1.086 1.00 0.00 C ATOM 480 C LEU A 33 43.033 -4.935 1.372 1.00 0.00 C ATOM 481 O LEU A 33 43.398 -5.270 2.497 1.00 0.00 O ATOM 482 CB LEU A 33 41.063 -3.546 0.678 1.00 0.00 C ATOM 483 CG LEU A 33 40.190 -2.479 1.345 1.00 0.00 C ATOM 484 CD1 LEU A 33 40.405 -1.127 0.682 1.00 0.00 C ATOM 485 CD2 LEU A 33 38.722 -2.876 1.285 1.00 0.00 C ATOM 0 H LEU A 33 42.813 -2.537 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 33 42.635 -2.917 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.998 -3.423 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 33 40.653 -4.528 0.913 1.00 0.00 H new ATOM 0 HG LEU A 33 40.481 -2.400 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 33 39.777 -0.380 1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.452 -0.838 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 33 40.140 -1.193 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 33 38.117 -2.106 1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 33 38.416 -2.983 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 33 38.580 -3.824 1.804 1.00 0.00 H new ATOM 497 N GLN A 34 43.045 -5.749 0.325 1.00 0.00 N ATOM 498 CA GLN A 34 43.501 -7.133 0.415 1.00 0.00 C ATOM 499 C GLN A 34 44.763 -7.236 1.273 1.00 0.00 C ATOM 500 O GLN A 34 44.799 -7.973 2.258 1.00 0.00 O ATOM 501 CB GLN A 34 43.778 -7.665 -0.985 1.00 0.00 C ATOM 502 CG GLN A 34 42.778 -8.711 -1.454 1.00 0.00 C ATOM 503 CD GLN A 34 41.478 -8.099 -1.939 1.00 0.00 C ATOM 504 OE1 GLN A 34 40.757 -7.449 -1.032 1.00 0.00 O flip ATOM 505 NE2 GLN A 34 41.127 -8.209 -3.113 1.00 0.00 N flip ATOM 0 H GLN A 34 42.740 -5.472 -0.608 1.00 0.00 H new ATOM 0 HA GLN A 34 42.721 -7.730 0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 34 43.774 -6.832 -1.687 1.00 0.00 H new ATOM 0 HB3 GLN A 34 44.779 -8.097 -1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 34 43.222 -9.297 -2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 34 42.568 -9.400 -0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 34 41.713 -8.718 -3.775 1.00 0.00 H new ATOM 0 HE22 GLN A 34 40.250 -7.792 -3.424 1.00 0.00 H new ATOM 514 N THR A 35 45.792 -6.477 0.896 1.00 0.00 N ATOM 515 CA THR A 35 47.057 -6.459 1.630 1.00 0.00 C ATOM 516 C THR A 35 46.913 -5.697 2.951 1.00 0.00 C ATOM 517 O THR A 35 47.858 -5.595 3.733 1.00 0.00 O ATOM 518 CB THR A 35 48.156 -5.824 0.778 1.00 0.00 C ATOM 519 OG1 THR A 35 47.624 -4.805 -0.048 1.00 0.00 O ATOM 520 CG2 THR A 35 48.868 -6.815 -0.117 1.00 0.00 C ATOM 0 H THR A 35 45.773 -5.863 0.082 1.00 0.00 H new ATOM 0 HA THR A 35 47.332 -7.490 1.855 1.00 0.00 H new ATOM 0 HB THR A 35 48.876 -5.420 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 35 46.932 -4.314 0.443 1.00 0.00 H new ATOM 0 HG21 THR A 35 49.635 -6.298 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 35 49.333 -7.589 0.494 1.00 0.00 H new ATOM 0 HG23 THR A 35 48.149 -7.273 -0.797 1.00 0.00 H new ATOM 528 N LYS A 36 45.711 -5.191 3.190 1.00 0.00 N ATOM 529 CA LYS A 36 45.404 -4.461 4.410 1.00 0.00 C ATOM 530 C LYS A 36 44.218 -5.103 5.105 1.00 0.00 C ATOM 531 O LYS A 36 43.460 -4.438 5.812 1.00 0.00 O ATOM 532 CB LYS A 36 45.099 -2.997 4.099 1.00 0.00 C ATOM 533 CG LYS A 36 46.181 -2.042 4.567 1.00 0.00 C ATOM 534 CD LYS A 36 47.126 -1.683 3.434 1.00 0.00 C ATOM 535 CE LYS A 36 48.555 -1.501 3.923 1.00 0.00 C ATOM 536 NZ LYS A 36 48.639 -1.435 5.409 1.00 0.00 N ATOM 0 H LYS A 36 44.925 -5.275 2.546 1.00 0.00 H new ATOM 0 HA LYS A 36 46.272 -4.499 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 36 44.964 -2.882 3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 36 44.155 -2.723 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 36 45.723 -1.136 4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 36 46.743 -2.497 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 36 47.099 -2.466 2.676 1.00 0.00 H new ATOM 0 HD3 LYS A 36 46.786 -0.765 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 36 49.168 -2.327 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 36 48.969 -0.587 3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 49.597 -1.143 5.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 47.948 -0.744 5.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 48.431 -2.372 5.810 1.00 0.00 H new ATOM 550 N ASN A 37 44.049 -6.399 4.876 1.00 0.00 N ATOM 551 CA ASN A 37 42.941 -7.131 5.458 1.00 0.00 C ATOM 552 C ASN A 37 41.652 -6.352 5.245 1.00 0.00 C ATOM 553 O ASN A 37 40.723 -6.432 6.047 1.00 0.00 O ATOM 554 CB ASN A 37 43.182 -7.383 6.949 1.00 0.00 C ATOM 555 CG ASN A 37 43.177 -6.107 7.767 1.00 0.00 C ATOM 556 OD1 ASN A 37 44.170 -5.381 7.815 1.00 0.00 O ATOM 557 ND2 ASN A 37 42.054 -5.830 8.421 1.00 0.00 N ATOM 0 H ASN A 37 44.667 -6.961 4.291 1.00 0.00 H new ATOM 0 HA ASN A 37 42.857 -8.100 4.966 1.00 0.00 H new ATOM 0 HB2 ASN A 37 42.413 -8.056 7.328 1.00 0.00 H new ATOM 0 HB3 ASN A 37 44.139 -7.888 7.078 1.00 0.00 H new ATOM 0 HD21 ASN A 37 41.991 -4.987 8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 37 41.255 -6.460 8.352 1.00 0.00 H new ATOM 564 N TYR A 38 41.616 -5.593 4.148 1.00 0.00 N ATOM 565 CA TYR A 38 40.455 -4.782 3.800 1.00 0.00 C ATOM 566 C TYR A 38 40.359 -3.547 4.684 1.00 0.00 C ATOM 567 O TYR A 38 39.356 -3.337 5.365 1.00 0.00 O ATOM 568 CB TYR A 38 39.170 -5.602 3.909 1.00 0.00 C ATOM 569 CG TYR A 38 39.138 -6.807 2.999 1.00 0.00 C ATOM 570 CD1 TYR A 38 39.793 -7.982 3.344 1.00 0.00 C ATOM 571 CD2 TYR A 38 38.453 -6.769 1.790 1.00 0.00 C ATOM 572 CE1 TYR A 38 39.767 -9.086 2.512 1.00 0.00 C ATOM 573 CE2 TYR A 38 38.422 -7.868 0.953 1.00 0.00 C ATOM 574 CZ TYR A 38 39.080 -9.023 1.318 1.00 0.00 C ATOM 575 OH TYR A 38 39.053 -10.119 0.486 1.00 0.00 O ATOM 0 H TYR A 38 42.386 -5.525 3.483 1.00 0.00 H new ATOM 0 HA TYR A 38 40.580 -4.456 2.767 1.00 0.00 H new ATOM 0 HB2 TYR A 38 39.048 -5.933 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 38 38.320 -4.961 3.677 1.00 0.00 H new ATOM 0 HD1 TYR A 38 40.332 -8.034 4.278 1.00 0.00 H new ATOM 0 HD2 TYR A 38 37.937 -5.866 1.500 1.00 0.00 H new ATOM 0 HE1 TYR A 38 40.282 -9.992 2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 38 37.885 -7.822 0.017 1.00 0.00 H new ATOM 0 HH TYR A 38 38.526 -9.910 -0.313 1.00 0.00 H new ATOM 585 N ASP A 39 41.409 -2.731 4.674 1.00 0.00 N ATOM 586 CA ASP A 39 41.429 -1.518 5.487 1.00 0.00 C ATOM 587 C ASP A 39 41.635 -0.280 4.631 1.00 0.00 C ATOM 588 O ASP A 39 42.541 -0.229 3.798 1.00 0.00 O ATOM 589 CB ASP A 39 42.521 -1.604 6.553 1.00 0.00 C ATOM 590 CG ASP A 39 42.152 -2.554 7.672 1.00 0.00 C ATOM 591 OD1 ASP A 39 41.702 -3.678 7.369 1.00 0.00 O ATOM 592 OD2 ASP A 39 42.307 -2.173 8.851 1.00 0.00 O ATOM 0 H ASP A 39 42.250 -2.885 4.118 1.00 0.00 H new ATOM 0 HA ASP A 39 40.459 -1.435 5.977 1.00 0.00 H new ATOM 0 HB2 ASP A 39 43.452 -1.933 6.092 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.703 -0.612 6.966 1.00 0.00 H new ATOM 597 N ILE A 40 40.789 0.724 4.845 1.00 0.00 N ATOM 598 CA ILE A 40 40.881 1.960 4.102 1.00 0.00 C ATOM 599 C ILE A 40 41.873 2.877 4.780 1.00 0.00 C ATOM 600 O ILE A 40 42.508 3.717 4.141 1.00 0.00 O ATOM 601 CB ILE A 40 39.516 2.666 4.006 1.00 0.00 C ATOM 602 CG1 ILE A 40 38.841 2.709 5.380 1.00 0.00 C ATOM 603 CG2 ILE A 40 38.628 1.968 2.987 1.00 0.00 C ATOM 604 CD1 ILE A 40 37.933 1.528 5.652 1.00 0.00 C ATOM 0 H ILE A 40 40.034 0.698 5.530 1.00 0.00 H new ATOM 0 HA ILE A 40 41.211 1.724 3.090 1.00 0.00 H new ATOM 0 HB ILE A 40 39.675 3.691 3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 40 39.610 2.749 6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 40 38.260 3.628 5.461 1.00 0.00 H new ATOM 0 HG21 ILE A 40 37.667 2.479 2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 40 39.109 1.991 2.009 1.00 0.00 H new ATOM 0 HG23 ILE A 40 38.471 0.933 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 40 37.492 1.629 6.643 1.00 0.00 H new ATOM 0 HD12 ILE A 40 37.141 1.498 4.904 1.00 0.00 H new ATOM 0 HD13 ILE A 40 38.512 0.606 5.605 1.00 0.00 H new ATOM 616 N GLY A 41 41.999 2.704 6.089 1.00 0.00 N ATOM 617 CA GLY A 41 42.914 3.515 6.848 1.00 0.00 C ATOM 618 C GLY A 41 44.188 3.775 6.087 1.00 0.00 C ATOM 619 O GLY A 41 44.698 4.897 6.059 1.00 0.00 O ATOM 0 H GLY A 41 41.481 2.015 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 41 42.439 4.464 7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 41 43.147 3.017 7.789 1.00 0.00 H new ATOM 623 N ALA A 42 44.685 2.730 5.453 1.00 0.00 N ATOM 624 CA ALA A 42 45.896 2.816 4.654 1.00 0.00 C ATOM 625 C ALA A 42 45.549 3.090 3.201 1.00 0.00 C ATOM 626 O ALA A 42 46.354 3.634 2.447 1.00 0.00 O ATOM 627 CB ALA A 42 46.716 1.540 4.782 1.00 0.00 C ATOM 0 H ALA A 42 44.264 1.801 5.476 1.00 0.00 H new ATOM 0 HA ALA A 42 46.500 3.644 5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 42 47.618 1.625 4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 42 46.992 1.388 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 42 46.125 0.692 4.436 1.00 0.00 H new ATOM 633 N ALA A 43 44.329 2.730 2.822 1.00 0.00 N ATOM 634 CA ALA A 43 43.861 2.962 1.461 1.00 0.00 C ATOM 635 C ALA A 43 43.997 4.436 1.116 1.00 0.00 C ATOM 636 O ALA A 43 44.391 4.796 0.008 1.00 0.00 O ATOM 637 CB ALA A 43 42.414 2.512 1.299 1.00 0.00 C ATOM 0 H ALA A 43 43.649 2.279 3.434 1.00 0.00 H new ATOM 0 HA ALA A 43 44.475 2.375 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 43 42.088 2.696 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 43 42.337 1.447 1.519 1.00 0.00 H new ATOM 0 HB3 ALA A 43 41.780 3.071 1.987 1.00 0.00 H new ATOM 643 N LEU A 44 43.686 5.279 2.092 1.00 0.00 N ATOM 644 CA LEU A 44 43.782 6.721 1.922 1.00 0.00 C ATOM 645 C LEU A 44 45.194 7.108 1.492 1.00 0.00 C ATOM 646 O LEU A 44 45.402 7.677 0.421 1.00 0.00 O ATOM 647 CB LEU A 44 43.418 7.433 3.226 1.00 0.00 C ATOM 648 CG LEU A 44 41.938 7.779 3.381 1.00 0.00 C ATOM 649 CD1 LEU A 44 41.150 6.560 3.832 1.00 0.00 C ATOM 650 CD2 LEU A 44 41.759 8.927 4.363 1.00 0.00 C ATOM 0 H LEU A 44 43.363 4.986 3.014 1.00 0.00 H new ATOM 0 HA LEU A 44 43.081 7.028 1.146 1.00 0.00 H new ATOM 0 HB2 LEU A 44 43.718 6.802 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 44 44.000 8.352 3.295 1.00 0.00 H new ATOM 0 HG LEU A 44 41.554 8.095 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 44 40.098 6.825 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.252 5.767 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 44 41.534 6.213 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 44 40.699 9.160 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 44 42.159 8.640 5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 44 42.291 9.805 3.997 1.00 0.00 H new ATOM 662 N ASP A 45 46.154 6.795 2.351 1.00 0.00 N ATOM 663 CA ASP A 45 47.557 7.099 2.099 1.00 0.00 C ATOM 664 C ASP A 45 47.925 6.961 0.615 1.00 0.00 C ATOM 665 O ASP A 45 48.850 7.613 0.131 1.00 0.00 O ATOM 666 CB ASP A 45 48.443 6.171 2.930 1.00 0.00 C ATOM 667 CG ASP A 45 49.917 6.370 2.639 1.00 0.00 C ATOM 668 OD1 ASP A 45 50.542 7.227 3.299 1.00 0.00 O ATOM 669 OD2 ASP A 45 50.446 5.672 1.749 1.00 0.00 O ATOM 0 H ASP A 45 45.984 6.325 3.240 1.00 0.00 H new ATOM 0 HA ASP A 45 47.721 8.138 2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 45 48.257 6.347 3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 45 48.171 5.135 2.727 1.00 0.00 H new ATOM 674 N THR A 46 47.234 6.072 -0.088 1.00 0.00 N ATOM 675 CA THR A 46 47.525 5.816 -1.502 1.00 0.00 C ATOM 676 C THR A 46 46.591 6.532 -2.493 1.00 0.00 C ATOM 677 O THR A 46 47.021 6.908 -3.583 1.00 0.00 O ATOM 678 CB THR A 46 47.500 4.312 -1.774 1.00 0.00 C ATOM 679 OG1 THR A 46 46.216 3.774 -1.512 1.00 0.00 O ATOM 680 CG2 THR A 46 48.504 3.540 -0.944 1.00 0.00 C ATOM 0 H THR A 46 46.469 5.515 0.293 1.00 0.00 H new ATOM 0 HA THR A 46 48.518 6.231 -1.674 1.00 0.00 H new ATOM 0 HB THR A 46 47.762 4.203 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 46 45.663 3.841 -2.318 1.00 0.00 H new ATOM 0 HG21 THR A 46 48.436 2.479 -1.184 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.510 3.898 -1.164 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.290 3.687 0.115 1.00 0.00 H new ATOM 688 N ILE A 47 45.311 6.679 -2.148 1.00 0.00 N ATOM 689 CA ILE A 47 44.347 7.303 -3.075 1.00 0.00 C ATOM 690 C ILE A 47 44.619 8.784 -3.297 1.00 0.00 C ATOM 691 O ILE A 47 44.432 9.299 -4.399 1.00 0.00 O ATOM 692 CB ILE A 47 42.871 7.136 -2.637 1.00 0.00 C ATOM 693 CG1 ILE A 47 42.761 6.571 -1.224 1.00 0.00 C ATOM 694 CG2 ILE A 47 42.132 6.243 -3.621 1.00 0.00 C ATOM 695 CD1 ILE A 47 41.407 6.790 -0.586 1.00 0.00 C ATOM 0 H ILE A 47 44.917 6.384 -1.255 1.00 0.00 H new ATOM 0 HA ILE A 47 44.495 6.762 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 47 42.412 8.124 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 47 42.971 5.502 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 47 43.526 7.030 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 47 41.095 6.132 -3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 47 42.162 6.693 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 47 42.609 5.263 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 47 41.404 6.362 0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 47 41.202 7.859 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 47 40.638 6.307 -1.189 1.00 0.00 H new ATOM 707 N GLN A 48 45.058 9.465 -2.255 1.00 0.00 N ATOM 708 CA GLN A 48 45.354 10.886 -2.346 1.00 0.00 C ATOM 709 C GLN A 48 46.279 11.292 -1.215 1.00 0.00 C ATOM 710 O GLN A 48 47.412 11.717 -1.442 1.00 0.00 O ATOM 711 CB GLN A 48 44.066 11.710 -2.298 1.00 0.00 C ATOM 712 CG GLN A 48 43.520 12.064 -3.672 1.00 0.00 C ATOM 713 CD GLN A 48 42.050 11.725 -3.823 1.00 0.00 C ATOM 714 OE1 GLN A 48 41.712 10.460 -3.609 1.00 0.00 O flip ATOM 715 NE2 GLN A 48 41.230 12.589 -4.130 1.00 0.00 N flip ATOM 0 H GLN A 48 45.218 9.058 -1.334 1.00 0.00 H new ATOM 0 HA GLN A 48 45.848 11.080 -3.298 1.00 0.00 H new ATOM 0 HB2 GLN A 48 43.308 11.153 -1.747 1.00 0.00 H new ATOM 0 HB3 GLN A 48 44.253 12.629 -1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 48 43.663 13.129 -3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 48 44.091 11.533 -4.433 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.535 13.550 -4.285 1.00 0.00 H new ATOM 0 HE22 GLN A 48 40.245 12.345 -4.229 1.00 0.00 H new ATOM 724 N TYR A 49 45.794 11.137 0.009 1.00 0.00 N ATOM 725 CA TYR A 49 46.592 11.470 1.176 1.00 0.00 C ATOM 726 C TYR A 49 47.900 10.708 1.106 1.00 0.00 C ATOM 727 O TYR A 49 47.898 9.493 0.988 1.00 0.00 O ATOM 728 CB TYR A 49 45.845 11.110 2.464 1.00 0.00 C ATOM 729 CG TYR A 49 44.545 11.860 2.646 1.00 0.00 C ATOM 730 CD1 TYR A 49 43.352 11.356 2.140 1.00 0.00 C ATOM 731 CD2 TYR A 49 44.509 13.073 3.323 1.00 0.00 C ATOM 732 CE1 TYR A 49 42.163 12.038 2.306 1.00 0.00 C ATOM 733 CE2 TYR A 49 43.323 13.760 3.492 1.00 0.00 C ATOM 734 CZ TYR A 49 42.154 13.239 2.981 1.00 0.00 C ATOM 735 OH TYR A 49 40.971 13.922 3.148 1.00 0.00 O ATOM 0 H TYR A 49 44.859 10.786 0.217 1.00 0.00 H new ATOM 0 HA TYR A 49 46.785 12.543 1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 49 45.639 10.040 2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 49 46.493 11.312 3.317 1.00 0.00 H new ATOM 0 HD1 TYR A 49 43.355 10.416 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 49 45.423 13.485 3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 49 41.244 11.632 1.909 1.00 0.00 H new ATOM 0 HE2 TYR A 49 43.312 14.701 4.022 1.00 0.00 H new ATOM 0 HH TYR A 49 41.138 14.749 3.646 1.00 0.00 H new ATOM 745 N SER A 50 49.015 11.415 1.146 1.00 0.00 N ATOM 746 CA SER A 50 50.313 10.760 1.061 1.00 0.00 C ATOM 747 C SER A 50 51.353 11.485 1.911 1.00 0.00 C ATOM 748 O SER A 50 52.527 11.549 1.547 1.00 0.00 O ATOM 749 CB SER A 50 50.778 10.703 -0.394 1.00 0.00 C ATOM 750 OG SER A 50 51.444 11.899 -0.764 1.00 0.00 O ATOM 0 H SER A 50 49.052 12.430 1.236 1.00 0.00 H new ATOM 0 HA SER A 50 50.205 9.746 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 50 51.446 9.853 -0.532 1.00 0.00 H new ATOM 0 HB3 SER A 50 49.920 10.544 -1.047 1.00 0.00 H new ATOM 0 HG SER A 50 52.224 12.032 -0.186 1.00 0.00 H new ATOM 756 N LYS A 51 50.917 12.032 3.039 1.00 0.00 N ATOM 757 CA LYS A 51 51.816 12.753 3.932 1.00 0.00 C ATOM 758 C LYS A 51 51.101 13.145 5.221 1.00 0.00 C ATOM 759 O LYS A 51 50.912 14.329 5.501 1.00 0.00 O ATOM 760 CB LYS A 51 52.361 14.001 3.237 1.00 0.00 C ATOM 761 CG LYS A 51 53.864 14.173 3.386 1.00 0.00 C ATOM 762 CD LYS A 51 54.621 13.308 2.394 1.00 0.00 C ATOM 763 CE LYS A 51 56.115 13.321 2.669 1.00 0.00 C ATOM 764 NZ LYS A 51 56.712 14.662 2.420 1.00 0.00 N ATOM 0 H LYS A 51 49.949 11.990 3.357 1.00 0.00 H new ATOM 0 HA LYS A 51 52.646 12.094 4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 51 52.112 13.954 2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 51 51.861 14.880 3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 51 54.129 15.219 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 51 54.163 13.912 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 51 54.250 12.284 2.445 1.00 0.00 H new ATOM 0 HD3 LYS A 51 54.433 13.665 1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 51 56.297 13.029 3.703 1.00 0.00 H new ATOM 0 HE3 LYS A 51 56.607 12.581 2.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 57.738 14.622 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 56.531 14.945 1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 56.284 15.357 3.064 1.00 0.00 H new ATOM 778 N HIS A 52 50.707 12.146 6.001 1.00 0.00 N ATOM 779 CA HIS A 52 50.012 12.390 7.259 1.00 0.00 C ATOM 780 C HIS A 52 50.907 13.153 8.231 1.00 0.00 C ATOM 781 O HIS A 52 50.672 13.054 9.454 1.00 0.00 O ATOM 782 CB HIS A 52 49.563 11.070 7.890 1.00 0.00 C ATOM 783 CG HIS A 52 48.462 10.390 7.138 1.00 0.00 C ATOM 784 ND1 HIS A 52 48.599 9.170 6.516 1.00 0.00 N ATOM 785 CD2 HIS A 52 47.182 10.783 6.914 1.00 0.00 C ATOM 786 CE1 HIS A 52 47.427 8.866 5.945 1.00 0.00 C ATOM 787 NE2 HIS A 52 46.532 9.811 6.158 1.00 0.00 N ATOM 788 OXT HIS A 52 51.837 13.842 7.761 1.00 0.00 O ATOM 0 H HIS A 52 50.857 11.160 5.785 1.00 0.00 H new ATOM 0 HA HIS A 52 49.131 12.996 7.046 1.00 0.00 H new ATOM 0 HB2 HIS A 52 50.418 10.397 7.952 1.00 0.00 H new ATOM 0 HB3 HIS A 52 49.231 11.259 8.911 1.00 0.00 H new ATOM 0 HD2 HIS A 52 46.739 11.703 7.266 1.00 0.00 H new ATOM 0 HE1 HIS A 52 47.239 7.963 5.383 1.00 0.00 H new ATOM 0 HE2 HIS A 52 45.564 9.827 5.836 1.00 0.00 H new TER 796 HIS A 52