USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 37 SER OG : rot 41:sc= -0.246! USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 31 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 33 THR OG1 : rot -120:sc= -1.78! USER MOD Set 3.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -175:sc= -11.7! USER MOD Single : A 16 LYS NZ :NH3+ -155:sc=-0.00866 (180deg=-0.475) USER MOD Single : A 24 SER OG : rot 180:sc= -0.335 USER MOD Single : A 27 THR OG1 : rot 65:sc= 0.0167! USER MOD Single : A 34 TYR OH : rot 25:sc= -0.439 USER MOD Single : A 35 TYR OH : rot -144:sc= -1.86! USER MOD Single : A 36 GLN : amide:sc= -1.86! K(o=-1.9!,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00209) USER MOD Single : A 50 THR OG1 : rot 60:sc= -6.57! USER MOD Single : A 57 CYS SG : rot 165:sc= -1.58! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 44.551 -4.227 6.492 1.00 0.00 N ATOM 2 CA MET A 1 43.984 -4.100 5.120 1.00 0.00 C ATOM 3 C MET A 1 44.835 -4.908 4.139 1.00 0.00 C ATOM 4 O MET A 1 44.338 -5.758 3.427 1.00 0.00 O ATOM 5 CB MET A 1 43.984 -2.629 4.702 1.00 0.00 C ATOM 6 CG MET A 1 43.024 -2.434 3.526 1.00 0.00 C ATOM 7 SD MET A 1 41.320 -2.415 4.137 1.00 0.00 S ATOM 8 CE MET A 1 40.700 -3.780 3.123 1.00 0.00 C ATOM 0 H1 MET A 1 43.972 -3.678 7.159 1.00 0.00 H new ATOM 0 H2 MET A 1 44.551 -5.227 6.776 1.00 0.00 H new ATOM 0 H3 MET A 1 45.526 -3.865 6.500 1.00 0.00 H new ATOM 0 HA MET A 1 42.962 -4.480 5.113 1.00 0.00 H new ATOM 0 HB2 MET A 1 43.682 -2.001 5.540 1.00 0.00 H new ATOM 0 HB3 MET A 1 44.990 -2.320 4.419 1.00 0.00 H new ATOM 0 HG2 MET A 1 43.248 -1.500 3.011 1.00 0.00 H new ATOM 0 HG3 MET A 1 43.153 -3.237 2.800 1.00 0.00 H new ATOM 0 HE1 MET A 1 39.645 -3.946 3.341 1.00 0.00 H new ATOM 0 HE2 MET A 1 40.818 -3.532 2.068 1.00 0.00 H new ATOM 0 HE3 MET A 1 41.264 -4.686 3.348 1.00 0.00 H new ATOM 18 N ALA A 2 46.113 -4.650 4.093 1.00 0.00 N ATOM 19 CA ALA A 2 46.991 -5.405 3.156 1.00 0.00 C ATOM 20 C ALA A 2 48.458 -5.124 3.489 1.00 0.00 C ATOM 21 O ALA A 2 49.228 -4.714 2.644 1.00 0.00 O ATOM 22 CB ALA A 2 46.702 -4.963 1.719 1.00 0.00 C ATOM 0 H ALA A 2 46.587 -3.950 4.663 1.00 0.00 H new ATOM 0 HA ALA A 2 46.794 -6.472 3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 2 47.344 -5.515 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 2 45.658 -5.164 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 2 46.898 -3.895 1.620 1.00 0.00 H new ATOM 28 N GLU A 3 48.851 -5.344 4.714 1.00 0.00 N ATOM 29 CA GLU A 3 50.269 -5.092 5.097 1.00 0.00 C ATOM 30 C GLU A 3 50.744 -6.194 6.046 1.00 0.00 C ATOM 31 O GLU A 3 50.143 -6.446 7.071 1.00 0.00 O ATOM 32 CB GLU A 3 50.379 -3.735 5.797 1.00 0.00 C ATOM 33 CG GLU A 3 49.255 -3.597 6.826 1.00 0.00 C ATOM 34 CD GLU A 3 49.073 -2.121 7.188 1.00 0.00 C ATOM 35 OE1 GLU A 3 49.896 -1.323 6.770 1.00 0.00 O ATOM 36 OE2 GLU A 3 48.114 -1.814 7.877 1.00 0.00 O ATOM 0 H GLU A 3 48.252 -5.687 5.465 1.00 0.00 H new ATOM 0 HA GLU A 3 50.890 -5.089 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 3 51.348 -3.645 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 3 50.316 -2.930 5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 3 48.326 -4.001 6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 3 49.492 -4.175 7.719 1.00 0.00 H new ATOM 43 N ASP A 4 51.819 -6.853 5.712 1.00 0.00 N ATOM 44 CA ASP A 4 52.331 -7.937 6.596 1.00 0.00 C ATOM 45 C ASP A 4 53.859 -7.944 6.557 1.00 0.00 C ATOM 46 O ASP A 4 54.493 -8.945 6.822 1.00 0.00 O ATOM 47 CB ASP A 4 51.798 -9.286 6.110 1.00 0.00 C ATOM 48 CG ASP A 4 52.148 -10.372 7.130 1.00 0.00 C ATOM 49 OD1 ASP A 4 52.763 -10.041 8.130 1.00 0.00 O ATOM 50 OD2 ASP A 4 51.794 -11.515 6.893 1.00 0.00 O ATOM 0 H ASP A 4 52.364 -6.688 4.866 1.00 0.00 H new ATOM 0 HA ASP A 4 51.995 -7.764 7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 4 50.718 -9.234 5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 4 52.230 -9.531 5.140 1.00 0.00 H new ATOM 55 N TRP A 5 54.454 -6.829 6.230 1.00 0.00 N ATOM 56 CA TRP A 5 55.942 -6.762 6.174 1.00 0.00 C ATOM 57 C TRP A 5 56.477 -7.925 5.333 1.00 0.00 C ATOM 58 O TRP A 5 56.578 -9.044 5.796 1.00 0.00 O ATOM 59 CB TRP A 5 56.510 -6.851 7.592 1.00 0.00 C ATOM 60 CG TRP A 5 55.879 -5.802 8.453 1.00 0.00 C ATOM 61 CD1 TRP A 5 54.739 -5.963 9.166 1.00 0.00 C ATOM 62 CD2 TRP A 5 56.330 -4.439 8.706 1.00 0.00 C ATOM 63 NE1 TRP A 5 54.465 -4.788 9.841 1.00 0.00 N ATOM 64 CE2 TRP A 5 55.415 -3.819 9.589 1.00 0.00 C ATOM 65 CE3 TRP A 5 57.432 -3.688 8.259 1.00 0.00 C ATOM 66 CZ2 TRP A 5 55.587 -2.502 10.015 1.00 0.00 C ATOM 67 CZ3 TRP A 5 57.609 -2.361 8.686 1.00 0.00 C ATOM 68 CH2 TRP A 5 56.688 -1.770 9.562 1.00 0.00 C ATOM 0 H TRP A 5 53.973 -5.960 5.999 1.00 0.00 H new ATOM 0 HA TRP A 5 56.246 -5.819 5.720 1.00 0.00 H new ATOM 0 HB2 TRP A 5 56.321 -7.840 8.009 1.00 0.00 H new ATOM 0 HB3 TRP A 5 57.591 -6.716 7.570 1.00 0.00 H new ATOM 0 HD1 TRP A 5 54.142 -6.862 9.202 1.00 0.00 H new ATOM 0 HE1 TRP A 5 53.659 -4.654 10.451 1.00 0.00 H new ATOM 0 HE3 TRP A 5 58.147 -4.134 7.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 54.875 -2.051 10.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 58.459 -1.793 8.337 1.00 0.00 H new ATOM 0 HH2 TRP A 5 56.829 -0.750 9.887 1.00 0.00 H new ATOM 79 N LEU A 6 56.821 -7.669 4.100 1.00 0.00 N ATOM 80 CA LEU A 6 57.349 -8.760 3.232 1.00 0.00 C ATOM 81 C LEU A 6 58.851 -8.566 3.021 1.00 0.00 C ATOM 82 O LEU A 6 59.352 -7.459 3.025 1.00 0.00 O ATOM 83 CB LEU A 6 56.637 -8.725 1.877 1.00 0.00 C ATOM 84 CG LEU A 6 55.198 -8.248 2.066 1.00 0.00 C ATOM 85 CD1 LEU A 6 55.094 -6.773 1.674 1.00 0.00 C ATOM 86 CD2 LEU A 6 54.267 -9.076 1.178 1.00 0.00 C ATOM 0 H LEU A 6 56.759 -6.752 3.657 1.00 0.00 H new ATOM 0 HA LEU A 6 57.171 -9.722 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 6 57.165 -8.059 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 6 56.646 -9.717 1.425 1.00 0.00 H new ATOM 0 HG LEU A 6 54.909 -8.368 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 6 54.067 -6.432 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 6 55.758 -6.181 2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 6 55.382 -6.653 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 6 53.240 -8.737 1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 6 54.556 -8.954 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 6 54.341 -10.128 1.455 1.00 0.00 H new ATOM 98 N ASP A 7 59.573 -9.636 2.832 1.00 0.00 N ATOM 99 CA ASP A 7 61.043 -9.517 2.615 1.00 0.00 C ATOM 100 C ASP A 7 61.317 -8.405 1.605 1.00 0.00 C ATOM 101 O ASP A 7 60.536 -8.172 0.707 1.00 0.00 O ATOM 102 CB ASP A 7 61.587 -10.836 2.063 1.00 0.00 C ATOM 103 CG ASP A 7 60.526 -11.500 1.184 1.00 0.00 C ATOM 104 OD1 ASP A 7 60.117 -10.882 0.215 1.00 0.00 O ATOM 105 OD2 ASP A 7 60.139 -12.615 1.495 1.00 0.00 O ATOM 0 H ASP A 7 59.208 -10.589 2.818 1.00 0.00 H new ATOM 0 HA ASP A 7 61.530 -9.286 3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 7 62.492 -10.654 1.483 1.00 0.00 H new ATOM 0 HB3 ASP A 7 61.862 -11.499 2.883 1.00 0.00 H new ATOM 110 N CYS A 8 62.418 -7.718 1.742 1.00 0.00 N ATOM 111 CA CYS A 8 62.739 -6.624 0.782 1.00 0.00 C ATOM 112 C CYS A 8 63.624 -7.167 -0.346 1.00 0.00 C ATOM 113 O CYS A 8 64.779 -7.471 -0.125 1.00 0.00 O ATOM 114 CB CYS A 8 63.501 -5.525 1.516 1.00 0.00 C ATOM 115 SG CYS A 8 62.350 -4.563 2.522 1.00 0.00 S ATOM 0 H CYS A 8 63.109 -7.867 2.477 1.00 0.00 H new ATOM 0 HA CYS A 8 61.813 -6.229 0.363 1.00 0.00 H new ATOM 0 HB2 CYS A 8 64.274 -5.963 2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 8 64.005 -4.876 0.800 1.00 0.00 H new ATOM 0 HG CYS A 8 62.980 -3.566 3.068 1.00 0.00 H new ATOM 121 N PRO A 9 63.065 -7.262 -1.528 1.00 0.00 N ATOM 122 CA PRO A 9 63.797 -7.751 -2.705 1.00 0.00 C ATOM 123 C PRO A 9 64.663 -6.625 -3.274 1.00 0.00 C ATOM 124 O PRO A 9 65.706 -6.859 -3.853 1.00 0.00 O ATOM 125 CB PRO A 9 62.687 -8.140 -3.684 1.00 0.00 C ATOM 126 CG PRO A 9 61.432 -7.341 -3.259 1.00 0.00 C ATOM 127 CD PRO A 9 61.661 -6.896 -1.802 1.00 0.00 C ATOM 0 HA PRO A 9 64.468 -8.582 -2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 9 62.971 -7.901 -4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 9 62.495 -9.212 -3.648 1.00 0.00 H new ATOM 0 HG2 PRO A 9 61.285 -6.478 -3.908 1.00 0.00 H new ATOM 0 HG3 PRO A 9 60.536 -7.957 -3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 9 61.498 -5.825 -1.682 1.00 0.00 H new ATOM 0 HD3 PRO A 9 60.977 -7.401 -1.119 1.00 0.00 H new ATOM 135 N ALA A 10 64.238 -5.401 -3.106 1.00 0.00 N ATOM 136 CA ALA A 10 65.033 -4.256 -3.627 1.00 0.00 C ATOM 137 C ALA A 10 66.319 -4.116 -2.807 1.00 0.00 C ATOM 138 O ALA A 10 67.359 -3.757 -3.323 1.00 0.00 O ATOM 139 CB ALA A 10 64.211 -2.969 -3.519 1.00 0.00 C ATOM 0 H ALA A 10 63.373 -5.146 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 10 65.286 -4.434 -4.672 1.00 0.00 H new ATOM 0 HB1 ALA A 10 64.795 -2.131 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 10 63.297 -3.071 -4.104 1.00 0.00 H new ATOM 0 HB3 ALA A 10 63.955 -2.787 -2.475 1.00 0.00 H new ATOM 145 N LEU A 11 66.258 -4.400 -1.533 1.00 0.00 N ATOM 146 CA LEU A 11 67.480 -4.287 -0.685 1.00 0.00 C ATOM 147 C LEU A 11 68.012 -5.685 -0.367 1.00 0.00 C ATOM 148 O LEU A 11 69.181 -5.969 -0.537 1.00 0.00 O ATOM 149 CB LEU A 11 67.138 -3.567 0.625 1.00 0.00 C ATOM 150 CG LEU A 11 66.551 -2.181 0.335 1.00 0.00 C ATOM 151 CD1 LEU A 11 66.686 -1.304 1.581 1.00 0.00 C ATOM 152 CD2 LEU A 11 67.305 -1.526 -0.827 1.00 0.00 C ATOM 0 H LEU A 11 65.416 -4.705 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 11 68.238 -3.719 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 11 66.424 -4.159 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 11 68.034 -3.469 1.238 1.00 0.00 H new ATOM 0 HG LEU A 11 65.500 -2.286 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 11 66.269 -0.317 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 11 66.146 -1.763 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 11 67.739 -1.206 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 11 66.882 -0.542 -1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 11 68.358 -1.422 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 11 67.213 -2.148 -1.717 1.00 0.00 H new ATOM 164 N GLY A 12 67.162 -6.560 0.099 1.00 0.00 N ATOM 165 CA GLY A 12 67.618 -7.939 0.432 1.00 0.00 C ATOM 166 C GLY A 12 66.958 -8.394 1.737 1.00 0.00 C ATOM 167 O GLY A 12 65.874 -7.954 2.066 1.00 0.00 O ATOM 0 H GLY A 12 66.172 -6.379 0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 12 67.361 -8.624 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 12 68.703 -7.960 0.534 1.00 0.00 H new ATOM 171 N PRO A 13 67.637 -9.261 2.445 1.00 0.00 N ATOM 172 CA PRO A 13 67.148 -9.796 3.728 1.00 0.00 C ATOM 173 C PRO A 13 67.353 -8.769 4.843 1.00 0.00 C ATOM 174 O PRO A 13 68.128 -7.842 4.711 1.00 0.00 O ATOM 175 CB PRO A 13 68.017 -11.035 3.957 1.00 0.00 C ATOM 176 CG PRO A 13 69.299 -10.829 3.115 1.00 0.00 C ATOM 177 CD PRO A 13 68.953 -9.787 2.033 1.00 0.00 C ATOM 0 HA PRO A 13 66.083 -10.028 3.720 1.00 0.00 H new ATOM 0 HB2 PRO A 13 68.260 -11.149 5.013 1.00 0.00 H new ATOM 0 HB3 PRO A 13 67.492 -11.940 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 13 70.121 -10.480 3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 13 69.619 -11.767 2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 13 69.702 -8.996 1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 13 68.908 -10.241 1.043 1.00 0.00 H new ATOM 185 N GLY A 14 66.662 -8.922 5.938 1.00 0.00 N ATOM 186 CA GLY A 14 66.817 -7.950 7.057 1.00 0.00 C ATOM 187 C GLY A 14 65.900 -6.751 6.814 1.00 0.00 C ATOM 188 O GLY A 14 65.166 -6.330 7.687 1.00 0.00 O ATOM 0 H GLY A 14 65.997 -9.677 6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 14 66.568 -8.427 8.005 1.00 0.00 H new ATOM 0 HA3 GLY A 14 67.854 -7.621 7.128 1.00 0.00 H new ATOM 192 N TRP A 15 65.932 -6.199 5.631 1.00 0.00 N ATOM 193 CA TRP A 15 65.059 -5.030 5.329 1.00 0.00 C ATOM 194 C TRP A 15 63.623 -5.518 5.104 1.00 0.00 C ATOM 195 O TRP A 15 63.369 -6.390 4.291 1.00 0.00 O ATOM 196 CB TRP A 15 65.574 -4.321 4.071 1.00 0.00 C ATOM 197 CG TRP A 15 65.131 -2.893 4.082 1.00 0.00 C ATOM 198 CD1 TRP A 15 64.397 -2.300 3.112 1.00 0.00 C ATOM 199 CD2 TRP A 15 65.385 -1.869 5.086 1.00 0.00 C ATOM 200 NE1 TRP A 15 64.173 -0.982 3.464 1.00 0.00 N ATOM 201 CE2 TRP A 15 64.764 -0.669 4.670 1.00 0.00 C ATOM 202 CE3 TRP A 15 66.085 -1.865 6.307 1.00 0.00 C ATOM 203 CZ2 TRP A 15 64.833 0.493 5.436 1.00 0.00 C ATOM 204 CZ3 TRP A 15 66.157 -0.695 7.081 1.00 0.00 C ATOM 205 CH2 TRP A 15 65.532 0.481 6.645 1.00 0.00 C ATOM 0 H TRP A 15 66.525 -6.508 4.861 1.00 0.00 H new ATOM 0 HA TRP A 15 65.075 -4.330 6.165 1.00 0.00 H new ATOM 0 HB2 TRP A 15 66.662 -4.374 4.031 1.00 0.00 H new ATOM 0 HB3 TRP A 15 65.197 -4.822 3.179 1.00 0.00 H new ATOM 0 HD1 TRP A 15 64.044 -2.778 2.210 1.00 0.00 H new ATOM 0 HE1 TRP A 15 63.636 -0.322 2.901 1.00 0.00 H new ATOM 0 HE3 TRP A 15 66.570 -2.767 6.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 64.349 1.397 5.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 66.697 -0.702 8.017 1.00 0.00 H new ATOM 0 HH2 TRP A 15 65.591 1.378 7.244 1.00 0.00 H new ATOM 216 N LYS A 16 62.682 -4.964 5.826 1.00 0.00 N ATOM 217 CA LYS A 16 61.261 -5.391 5.670 1.00 0.00 C ATOM 218 C LYS A 16 60.506 -4.354 4.835 1.00 0.00 C ATOM 219 O LYS A 16 60.535 -3.172 5.121 1.00 0.00 O ATOM 220 CB LYS A 16 60.612 -5.505 7.050 1.00 0.00 C ATOM 221 CG LYS A 16 60.641 -6.965 7.510 1.00 0.00 C ATOM 222 CD LYS A 16 62.089 -7.459 7.555 1.00 0.00 C ATOM 223 CE LYS A 16 62.679 -7.187 8.940 1.00 0.00 C ATOM 224 NZ LYS A 16 63.469 -8.370 9.384 1.00 0.00 N ATOM 0 H LYS A 16 62.839 -4.232 6.519 1.00 0.00 H new ATOM 0 HA LYS A 16 61.223 -6.358 5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 16 61.142 -4.877 7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 16 59.584 -5.146 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 16 60.184 -7.056 8.495 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.056 -7.583 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 16 62.127 -8.526 7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 16 62.680 -6.955 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 16 63.315 -6.302 8.909 1.00 0.00 H new ATOM 0 HE3 LYS A 16 61.881 -6.981 9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 63.511 -8.389 10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 63.015 -9.240 9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 64.433 -8.308 9.000 1.00 0.00 H new ATOM 238 N ARG A 17 59.840 -4.788 3.797 1.00 0.00 N ATOM 239 CA ARG A 17 59.094 -3.830 2.930 1.00 0.00 C ATOM 240 C ARG A 17 57.604 -3.861 3.281 1.00 0.00 C ATOM 241 O ARG A 17 56.892 -4.775 2.917 1.00 0.00 O ATOM 242 CB ARG A 17 59.274 -4.229 1.461 1.00 0.00 C ATOM 243 CG ARG A 17 59.437 -2.973 0.601 1.00 0.00 C ATOM 244 CD ARG A 17 60.734 -3.069 -0.208 1.00 0.00 C ATOM 245 NE ARG A 17 61.612 -1.913 0.129 1.00 0.00 N ATOM 246 CZ ARG A 17 62.832 -1.866 -0.329 1.00 0.00 C ATOM 247 NH1 ARG A 17 63.377 -2.935 -0.842 1.00 0.00 N ATOM 248 NH2 ARG A 17 63.508 -0.751 -0.275 1.00 0.00 N ATOM 0 H ARG A 17 59.781 -5.766 3.512 1.00 0.00 H new ATOM 0 HA ARG A 17 59.482 -2.824 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 17 60.148 -4.871 1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 17 58.412 -4.804 1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 17 58.585 -2.867 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 17 59.456 -2.086 1.235 1.00 0.00 H new ATOM 0 HD2 ARG A 17 61.246 -4.006 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 17 60.511 -3.072 -1.275 1.00 0.00 H new ATOM 0 HE ARG A 17 61.259 -1.159 0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 17 62.849 -3.806 -0.885 1.00 0.00 H new ATOM 0 HH12 ARG A 17 64.331 -2.899 -1.200 1.00 0.00 H new ATOM 0 HH21 ARG A 17 63.082 0.085 0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 17 64.462 -0.715 -0.634 1.00 0.00 H new ATOM 262 N ARG A 18 57.125 -2.869 3.979 1.00 0.00 N ATOM 263 CA ARG A 18 55.679 -2.847 4.340 1.00 0.00 C ATOM 264 C ARG A 18 54.929 -1.903 3.396 1.00 0.00 C ATOM 265 O ARG A 18 55.372 -0.806 3.121 1.00 0.00 O ATOM 266 CB ARG A 18 55.517 -2.361 5.781 1.00 0.00 C ATOM 267 CG ARG A 18 54.100 -2.677 6.266 1.00 0.00 C ATOM 268 CD ARG A 18 53.824 -1.922 7.568 1.00 0.00 C ATOM 269 NE ARG A 18 52.512 -1.222 7.468 1.00 0.00 N ATOM 270 CZ ARG A 18 52.411 0.028 7.827 1.00 0.00 C ATOM 271 NH1 ARG A 18 53.382 0.862 7.572 1.00 0.00 N ATOM 272 NH2 ARG A 18 51.338 0.445 8.442 1.00 0.00 N ATOM 0 H ARG A 18 57.670 -2.075 4.314 1.00 0.00 H new ATOM 0 HA ARG A 18 55.269 -3.853 4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 18 56.251 -2.846 6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 18 55.702 -1.288 5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.372 -2.391 5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 18 53.990 -3.750 6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 18 53.815 -2.616 8.408 1.00 0.00 H new ATOM 0 HD3 ARG A 18 54.619 -1.201 7.759 1.00 0.00 H new ATOM 0 HE ARG A 18 51.693 -1.720 7.119 1.00 0.00 H new ATOM 0 HH11 ARG A 18 54.221 0.537 7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 18 53.302 1.839 7.853 1.00 0.00 H new ATOM 0 HH21 ARG A 18 50.579 -0.206 8.642 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.259 1.422 8.723 1.00 0.00 H new ATOM 286 N GLU A 19 53.795 -2.319 2.902 1.00 0.00 N ATOM 287 CA GLU A 19 53.017 -1.443 1.980 1.00 0.00 C ATOM 288 C GLU A 19 51.684 -1.073 2.636 1.00 0.00 C ATOM 289 O GLU A 19 51.109 -1.849 3.372 1.00 0.00 O ATOM 290 CB GLU A 19 52.753 -2.187 0.668 1.00 0.00 C ATOM 291 CG GLU A 19 52.193 -3.577 0.975 1.00 0.00 C ATOM 292 CD GLU A 19 51.900 -4.312 -0.334 1.00 0.00 C ATOM 293 OE1 GLU A 19 52.033 -3.698 -1.379 1.00 0.00 O ATOM 294 OE2 GLU A 19 51.547 -5.478 -0.268 1.00 0.00 O ATOM 0 H GLU A 19 53.374 -3.227 3.097 1.00 0.00 H new ATOM 0 HA GLU A 19 53.585 -0.536 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 19 52.048 -1.626 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.676 -2.273 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 19 52.908 -4.145 1.571 1.00 0.00 H new ATOM 0 HG3 GLU A 19 51.282 -3.491 1.567 1.00 0.00 H new ATOM 301 N VAL A 20 51.189 0.108 2.379 1.00 0.00 N ATOM 302 CA VAL A 20 49.896 0.522 2.996 1.00 0.00 C ATOM 303 C VAL A 20 49.050 1.283 1.971 1.00 0.00 C ATOM 304 O VAL A 20 49.565 1.900 1.060 1.00 0.00 O ATOM 305 CB VAL A 20 50.174 1.425 4.199 1.00 0.00 C ATOM 306 CG1 VAL A 20 48.934 1.481 5.093 1.00 0.00 C ATOM 307 CG2 VAL A 20 51.351 0.861 4.997 1.00 0.00 C ATOM 0 H VAL A 20 51.623 0.802 1.770 1.00 0.00 H new ATOM 0 HA VAL A 20 49.352 -0.365 3.321 1.00 0.00 H new ATOM 0 HB VAL A 20 50.417 2.429 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 20 49.132 2.124 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 20 48.094 1.881 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 20 48.691 0.477 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 20 51.550 1.504 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 20 51.107 -0.143 5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 20 52.235 0.820 4.361 1.00 0.00 H new ATOM 317 N PHE A 21 47.753 1.244 2.119 1.00 0.00 N ATOM 318 CA PHE A 21 46.864 1.964 1.161 1.00 0.00 C ATOM 319 C PHE A 21 47.151 1.493 -0.265 1.00 0.00 C ATOM 320 O PHE A 21 46.954 2.218 -1.221 1.00 0.00 O ATOM 321 CB PHE A 21 47.113 3.471 1.267 1.00 0.00 C ATOM 322 CG PHE A 21 46.426 4.023 2.500 1.00 0.00 C ATOM 323 CD1 PHE A 21 45.938 3.155 3.488 1.00 0.00 C ATOM 324 CD2 PHE A 21 46.279 5.407 2.653 1.00 0.00 C ATOM 325 CE1 PHE A 21 45.305 3.672 4.625 1.00 0.00 C ATOM 326 CE2 PHE A 21 45.646 5.923 3.791 1.00 0.00 C ATOM 327 CZ PHE A 21 45.159 5.056 4.776 1.00 0.00 C ATOM 0 H PHE A 21 47.269 0.743 2.864 1.00 0.00 H new ATOM 0 HA PHE A 21 45.823 1.751 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 21 48.184 3.669 1.318 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.738 3.974 0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 21 46.051 2.087 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 21 46.654 6.077 1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 21 44.930 3.003 5.385 1.00 0.00 H new ATOM 0 HE2 PHE A 21 45.534 6.991 3.908 1.00 0.00 H new ATOM 0 HZ PHE A 21 44.670 5.455 5.653 1.00 0.00 H new ATOM 337 N ARG A 22 47.610 0.283 -0.417 1.00 0.00 N ATOM 338 CA ARG A 22 47.905 -0.239 -1.780 1.00 0.00 C ATOM 339 C ARG A 22 46.661 -0.938 -2.336 1.00 0.00 C ATOM 340 O ARG A 22 46.415 -2.095 -2.064 1.00 0.00 O ATOM 341 CB ARG A 22 49.061 -1.237 -1.704 1.00 0.00 C ATOM 342 CG ARG A 22 50.062 -0.947 -2.825 1.00 0.00 C ATOM 343 CD ARG A 22 50.026 -2.085 -3.846 1.00 0.00 C ATOM 344 NE ARG A 22 51.411 -2.572 -4.095 1.00 0.00 N ATOM 345 CZ ARG A 22 51.601 -3.738 -4.649 1.00 0.00 C ATOM 346 NH1 ARG A 22 50.720 -4.214 -5.486 1.00 0.00 N ATOM 347 NH2 ARG A 22 52.672 -4.427 -4.365 1.00 0.00 N ATOM 0 H ARG A 22 47.794 -0.369 0.346 1.00 0.00 H new ATOM 0 HA ARG A 22 48.182 0.587 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 22 49.554 -1.165 -0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 22 48.683 -2.255 -1.795 1.00 0.00 H new ATOM 0 HG2 ARG A 22 49.818 -0.001 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 22 51.066 -0.845 -2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 22 49.403 -2.900 -3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 22 49.578 -1.738 -4.777 1.00 0.00 H new ATOM 0 HE ARG A 22 52.210 -1.995 -3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 22 49.883 -3.675 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 22 50.868 -5.125 -5.919 1.00 0.00 H new ATOM 0 HH21 ARG A 22 53.360 -4.054 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 22 52.822 -5.339 -4.797 1.00 0.00 H new ATOM 361 N LYS A 23 45.875 -0.242 -3.111 1.00 0.00 N ATOM 362 CA LYS A 23 44.647 -0.865 -3.683 1.00 0.00 C ATOM 363 C LYS A 23 43.626 -1.104 -2.567 1.00 0.00 C ATOM 364 O LYS A 23 43.702 -2.076 -1.841 1.00 0.00 O ATOM 365 CB LYS A 23 45.006 -2.201 -4.337 1.00 0.00 C ATOM 366 CG LYS A 23 44.033 -2.487 -5.483 1.00 0.00 C ATOM 367 CD LYS A 23 44.555 -3.662 -6.313 1.00 0.00 C ATOM 368 CE LYS A 23 44.708 -3.228 -7.772 1.00 0.00 C ATOM 369 NZ LYS A 23 46.057 -2.627 -7.973 1.00 0.00 N ATOM 0 H LYS A 23 46.030 0.732 -3.373 1.00 0.00 H new ATOM 0 HA LYS A 23 44.220 -0.197 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 23 46.029 -2.171 -4.713 1.00 0.00 H new ATOM 0 HB3 LYS A 23 44.961 -3.002 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 23 43.045 -2.719 -5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 23 43.925 -1.603 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 23 45.514 -4.000 -5.921 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.867 -4.504 -6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.578 -4.085 -8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 23 43.934 -2.505 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 46.161 -2.332 -8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 46.164 -1.799 -7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 46.788 -3.330 -7.742 1.00 0.00 H new ATOM 383 N SER A 24 42.670 -0.228 -2.428 1.00 0.00 N ATOM 384 CA SER A 24 41.644 -0.406 -1.362 1.00 0.00 C ATOM 385 C SER A 24 40.353 0.299 -1.782 1.00 0.00 C ATOM 386 O SER A 24 39.348 -0.332 -2.047 1.00 0.00 O ATOM 387 CB SER A 24 42.156 0.200 -0.055 1.00 0.00 C ATOM 388 OG SER A 24 43.439 -0.338 0.240 1.00 0.00 O ATOM 0 H SER A 24 42.555 0.604 -3.007 1.00 0.00 H new ATOM 0 HA SER A 24 41.449 -1.468 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 24 42.215 1.285 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 24 41.462 -0.018 0.757 1.00 0.00 H new ATOM 0 HG SER A 24 43.772 0.049 1.077 1.00 0.00 H new ATOM 394 N GLY A 25 40.371 1.602 -1.847 1.00 0.00 N ATOM 395 CA GLY A 25 39.146 2.346 -2.253 1.00 0.00 C ATOM 396 C GLY A 25 39.260 2.750 -3.724 1.00 0.00 C ATOM 397 O GLY A 25 38.448 2.374 -4.546 1.00 0.00 O ATOM 0 H GLY A 25 41.182 2.184 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 25 38.263 1.724 -2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 25 39.022 3.232 -1.630 1.00 0.00 H new ATOM 401 N ALA A 26 40.266 3.509 -4.064 1.00 0.00 N ATOM 402 CA ALA A 26 40.434 3.933 -5.483 1.00 0.00 C ATOM 403 C ALA A 26 41.337 2.934 -6.206 1.00 0.00 C ATOM 404 O ALA A 26 41.911 3.231 -7.235 1.00 0.00 O ATOM 405 CB ALA A 26 41.069 5.323 -5.530 1.00 0.00 C ATOM 0 H ALA A 26 40.979 3.854 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 26 39.460 3.965 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 26 41.191 5.632 -6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 26 40.425 6.035 -5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 26 42.044 5.294 -5.043 1.00 0.00 H new ATOM 411 N THR A 27 41.465 1.752 -5.675 1.00 0.00 N ATOM 412 CA THR A 27 42.328 0.731 -6.327 1.00 0.00 C ATOM 413 C THR A 27 43.687 1.350 -6.668 1.00 0.00 C ATOM 414 O THR A 27 44.582 1.391 -5.847 1.00 0.00 O ATOM 415 CB THR A 27 41.650 0.231 -7.606 1.00 0.00 C ATOM 416 OG1 THR A 27 40.715 1.202 -8.055 1.00 0.00 O ATOM 417 CG2 THR A 27 40.924 -1.083 -7.317 1.00 0.00 C ATOM 0 H THR A 27 41.008 1.448 -4.815 1.00 0.00 H new ATOM 0 HA THR A 27 42.477 -0.108 -5.647 1.00 0.00 H new ATOM 0 HB THR A 27 42.402 0.067 -8.378 1.00 0.00 H new ATOM 0 HG1 THR A 27 41.191 2.017 -8.319 1.00 0.00 H new ATOM 0 HG21 THR A 27 40.441 -1.440 -8.227 1.00 0.00 H new ATOM 0 HG22 THR A 27 41.642 -1.827 -6.972 1.00 0.00 H new ATOM 0 HG23 THR A 27 40.171 -0.921 -6.546 1.00 0.00 H new ATOM 425 N CYS A 28 43.851 1.833 -7.870 1.00 0.00 N ATOM 426 CA CYS A 28 45.154 2.448 -8.255 1.00 0.00 C ATOM 427 C CYS A 28 45.165 3.922 -7.842 1.00 0.00 C ATOM 428 O CYS A 28 44.775 4.790 -8.598 1.00 0.00 O ATOM 429 CB CYS A 28 45.339 2.343 -9.771 1.00 0.00 C ATOM 430 SG CYS A 28 46.200 0.802 -10.171 1.00 0.00 S ATOM 0 H CYS A 28 43.140 1.828 -8.601 1.00 0.00 H new ATOM 0 HA CYS A 28 45.966 1.923 -7.752 1.00 0.00 H new ATOM 0 HB2 CYS A 28 44.370 2.370 -10.269 1.00 0.00 H new ATOM 0 HB3 CYS A 28 45.909 3.196 -10.138 1.00 0.00 H new ATOM 0 HG CYS A 28 46.354 0.713 -11.459 1.00 0.00 H new ATOM 436 N GLY A 29 45.607 4.213 -6.649 1.00 0.00 N ATOM 437 CA GLY A 29 45.638 5.632 -6.193 1.00 0.00 C ATOM 438 C GLY A 29 46.992 5.937 -5.547 1.00 0.00 C ATOM 439 O GLY A 29 47.946 6.282 -6.216 1.00 0.00 O ATOM 0 H GLY A 29 45.947 3.531 -5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 29 45.469 6.299 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 29 44.835 5.812 -5.479 1.00 0.00 H new ATOM 443 N ARG A 30 47.084 5.816 -4.250 1.00 0.00 N ATOM 444 CA ARG A 30 48.377 6.102 -3.564 1.00 0.00 C ATOM 445 C ARG A 30 48.531 5.181 -2.352 1.00 0.00 C ATOM 446 O ARG A 30 47.717 5.183 -1.450 1.00 0.00 O ATOM 447 CB ARG A 30 48.395 7.561 -3.101 1.00 0.00 C ATOM 448 CG ARG A 30 49.591 7.790 -2.173 1.00 0.00 C ATOM 449 CD ARG A 30 49.487 9.178 -1.536 1.00 0.00 C ATOM 450 NE ARG A 30 49.417 10.212 -2.606 1.00 0.00 N ATOM 451 CZ ARG A 30 50.450 10.971 -2.849 1.00 0.00 C ATOM 452 NH1 ARG A 30 51.653 10.468 -2.818 1.00 0.00 N ATOM 453 NH2 ARG A 30 50.279 12.235 -3.125 1.00 0.00 N ATOM 0 H ARG A 30 46.320 5.532 -3.636 1.00 0.00 H new ATOM 0 HA ARG A 30 49.200 5.928 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 30 48.458 8.226 -3.963 1.00 0.00 H new ATOM 0 HB3 ARG A 30 47.467 7.800 -2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 30 49.615 7.024 -1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 30 50.521 7.705 -2.734 1.00 0.00 H new ATOM 0 HD2 ARG A 30 48.601 9.234 -0.903 1.00 0.00 H new ATOM 0 HD3 ARG A 30 50.349 9.361 -0.895 1.00 0.00 H new ATOM 0 HE ARG A 30 48.561 10.327 -3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 30 51.787 9.480 -2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 30 52.460 11.063 -3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 30 49.338 12.629 -3.151 1.00 0.00 H new ATOM 0 HH22 ARG A 30 51.086 12.829 -3.315 1.00 0.00 H new ATOM 467 N SER A 31 49.572 4.394 -2.323 1.00 0.00 N ATOM 468 CA SER A 31 49.784 3.474 -1.170 1.00 0.00 C ATOM 469 C SER A 31 50.985 3.955 -0.353 1.00 0.00 C ATOM 470 O SER A 31 52.014 4.308 -0.894 1.00 0.00 O ATOM 471 CB SER A 31 50.056 2.062 -1.688 1.00 0.00 C ATOM 472 OG SER A 31 51.460 1.868 -1.806 1.00 0.00 O ATOM 0 H SER A 31 50.286 4.349 -3.050 1.00 0.00 H new ATOM 0 HA SER A 31 48.893 3.465 -0.542 1.00 0.00 H new ATOM 0 HB2 SER A 31 49.631 1.324 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 31 49.575 1.918 -2.655 1.00 0.00 H new ATOM 0 HG SER A 31 51.643 1.234 -2.531 1.00 0.00 H new ATOM 478 N ASP A 32 50.865 3.972 0.946 1.00 0.00 N ATOM 479 CA ASP A 32 52.001 4.429 1.793 1.00 0.00 C ATOM 480 C ASP A 32 52.933 3.247 2.067 1.00 0.00 C ATOM 481 O ASP A 32 52.639 2.384 2.870 1.00 0.00 O ATOM 482 CB ASP A 32 51.463 4.975 3.117 1.00 0.00 C ATOM 483 CG ASP A 32 51.155 6.466 2.968 1.00 0.00 C ATOM 484 OD1 ASP A 32 52.086 7.225 2.757 1.00 0.00 O ATOM 485 OD2 ASP A 32 49.992 6.823 3.067 1.00 0.00 O ATOM 0 H ASP A 32 50.029 3.689 1.457 1.00 0.00 H new ATOM 0 HA ASP A 32 52.551 5.215 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 32 50.562 4.434 3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 32 52.195 4.822 3.910 1.00 0.00 H new ATOM 490 N THR A 33 54.054 3.198 1.399 1.00 0.00 N ATOM 491 CA THR A 33 55.002 2.070 1.615 1.00 0.00 C ATOM 492 C THR A 33 56.140 2.517 2.534 1.00 0.00 C ATOM 493 O THR A 33 56.874 3.437 2.230 1.00 0.00 O ATOM 494 CB THR A 33 55.581 1.627 0.269 1.00 0.00 C ATOM 495 OG1 THR A 33 54.584 1.753 -0.736 1.00 0.00 O ATOM 496 CG2 THR A 33 56.035 0.170 0.361 1.00 0.00 C ATOM 0 H THR A 33 54.353 3.891 0.713 1.00 0.00 H new ATOM 0 HA THR A 33 54.471 1.238 2.078 1.00 0.00 H new ATOM 0 HB THR A 33 56.435 2.255 0.015 1.00 0.00 H new ATOM 0 HG1 THR A 33 54.415 0.877 -1.141 1.00 0.00 H new ATOM 0 HG21 THR A 33 56.447 -0.144 -0.598 1.00 0.00 H new ATOM 0 HG22 THR A 33 56.799 0.075 1.133 1.00 0.00 H new ATOM 0 HG23 THR A 33 55.183 -0.461 0.614 1.00 0.00 H new ATOM 504 N TYR A 34 56.294 1.868 3.654 1.00 0.00 N ATOM 505 CA TYR A 34 57.387 2.244 4.594 1.00 0.00 C ATOM 506 C TYR A 34 58.263 1.018 4.854 1.00 0.00 C ATOM 507 O TYR A 34 57.812 -0.106 4.760 1.00 0.00 O ATOM 508 CB TYR A 34 56.781 2.728 5.913 1.00 0.00 C ATOM 509 CG TYR A 34 55.792 3.834 5.637 1.00 0.00 C ATOM 510 CD1 TYR A 34 56.035 4.749 4.606 1.00 0.00 C ATOM 511 CD2 TYR A 34 54.631 3.946 6.413 1.00 0.00 C ATOM 512 CE1 TYR A 34 55.118 5.775 4.350 1.00 0.00 C ATOM 513 CE2 TYR A 34 53.714 4.973 6.156 1.00 0.00 C ATOM 514 CZ TYR A 34 53.957 5.887 5.125 1.00 0.00 C ATOM 515 OH TYR A 34 53.054 6.899 4.871 1.00 0.00 O ATOM 0 H TYR A 34 55.708 1.091 3.960 1.00 0.00 H new ATOM 0 HA TYR A 34 57.989 3.042 4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 34 56.286 1.902 6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 34 57.568 3.086 6.577 1.00 0.00 H new ATOM 0 HD1 TYR A 34 56.930 4.663 4.008 1.00 0.00 H new ATOM 0 HD2 TYR A 34 54.443 3.241 7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 34 55.306 6.481 3.554 1.00 0.00 H new ATOM 0 HE2 TYR A 34 52.819 5.059 6.754 1.00 0.00 H new ATOM 0 HH TYR A 34 53.136 7.184 3.937 1.00 0.00 H new ATOM 525 N TYR A 35 59.512 1.219 5.176 1.00 0.00 N ATOM 526 CA TYR A 35 60.404 0.053 5.435 1.00 0.00 C ATOM 527 C TYR A 35 60.914 0.108 6.873 1.00 0.00 C ATOM 528 O TYR A 35 61.150 1.167 7.419 1.00 0.00 O ATOM 529 CB TYR A 35 61.588 0.091 4.469 1.00 0.00 C ATOM 530 CG TYR A 35 61.087 0.416 3.084 1.00 0.00 C ATOM 531 CD1 TYR A 35 59.840 -0.060 2.663 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.865 1.198 2.224 1.00 0.00 C ATOM 533 CE1 TYR A 35 59.371 0.246 1.381 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.396 1.503 0.941 1.00 0.00 C ATOM 535 CZ TYR A 35 60.148 1.027 0.519 1.00 0.00 C ATOM 536 OH TYR A 35 59.684 1.330 -0.744 1.00 0.00 O ATOM 0 H TYR A 35 59.951 2.135 5.271 1.00 0.00 H new ATOM 0 HA TYR A 35 59.845 -0.871 5.286 1.00 0.00 H new ATOM 0 HB2 TYR A 35 62.312 0.839 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 35 62.102 -0.870 4.467 1.00 0.00 H new ATOM 0 HD1 TYR A 35 59.240 -0.664 3.328 1.00 0.00 H new ATOM 0 HD2 TYR A 35 62.827 1.566 2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 35 58.408 -0.121 1.057 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.997 2.106 0.276 1.00 0.00 H new ATOM 0 HH TYR A 35 60.434 1.340 -1.374 1.00 0.00 H new ATOM 546 N GLN A 36 61.084 -1.026 7.495 1.00 0.00 N ATOM 547 CA GLN A 36 61.575 -1.031 8.900 1.00 0.00 C ATOM 548 C GLN A 36 62.702 -2.053 9.053 1.00 0.00 C ATOM 549 O GLN A 36 62.665 -3.125 8.480 1.00 0.00 O ATOM 550 CB GLN A 36 60.427 -1.400 9.841 1.00 0.00 C ATOM 551 CG GLN A 36 60.903 -1.295 11.291 1.00 0.00 C ATOM 552 CD GLN A 36 60.483 -2.549 12.061 1.00 0.00 C ATOM 553 OE1 GLN A 36 59.729 -2.469 13.010 1.00 0.00 O ATOM 554 NE2 GLN A 36 60.945 -3.712 11.692 1.00 0.00 N ATOM 0 H GLN A 36 60.905 -1.946 7.092 1.00 0.00 H new ATOM 0 HA GLN A 36 61.951 -0.039 9.150 1.00 0.00 H new ATOM 0 HB2 GLN A 36 59.579 -0.735 9.676 1.00 0.00 H new ATOM 0 HB3 GLN A 36 60.083 -2.413 9.632 1.00 0.00 H new ATOM 0 HG2 GLN A 36 61.987 -1.183 11.321 1.00 0.00 H new ATOM 0 HG3 GLN A 36 60.478 -0.408 11.761 1.00 0.00 H new ATOM 0 HE21 GLN A 36 61.578 -3.780 10.895 1.00 0.00 H new ATOM 0 HE22 GLN A 36 60.673 -4.553 12.200 1.00 0.00 H new ATOM 563 N SER A 37 63.701 -1.729 9.827 1.00 0.00 N ATOM 564 CA SER A 37 64.829 -2.681 10.028 1.00 0.00 C ATOM 565 C SER A 37 64.430 -3.719 11.082 1.00 0.00 C ATOM 566 O SER A 37 63.386 -3.608 11.693 1.00 0.00 O ATOM 567 CB SER A 37 66.064 -1.916 10.506 1.00 0.00 C ATOM 568 OG SER A 37 67.110 -2.071 9.557 1.00 0.00 O ATOM 0 H SER A 37 63.785 -0.845 10.329 1.00 0.00 H new ATOM 0 HA SER A 37 65.057 -3.183 9.088 1.00 0.00 H new ATOM 0 HB2 SER A 37 65.825 -0.860 10.632 1.00 0.00 H new ATOM 0 HB3 SER A 37 66.383 -2.289 11.479 1.00 0.00 H new ATOM 0 HG SER A 37 66.740 -2.018 8.651 1.00 0.00 H new ATOM 574 N PRO A 38 65.278 -4.699 11.261 1.00 0.00 N ATOM 575 CA PRO A 38 65.047 -5.781 12.234 1.00 0.00 C ATOM 576 C PRO A 38 65.381 -5.309 13.654 1.00 0.00 C ATOM 577 O PRO A 38 65.385 -6.084 14.590 1.00 0.00 O ATOM 578 CB PRO A 38 66.014 -6.879 11.784 1.00 0.00 C ATOM 579 CG PRO A 38 67.122 -6.176 10.963 1.00 0.00 C ATOM 580 CD PRO A 38 66.543 -4.823 10.508 1.00 0.00 C ATOM 0 HA PRO A 38 64.010 -6.116 12.263 1.00 0.00 H new ATOM 0 HB2 PRO A 38 66.438 -7.399 12.643 1.00 0.00 H new ATOM 0 HB3 PRO A 38 65.499 -7.627 11.181 1.00 0.00 H new ATOM 0 HG2 PRO A 38 68.018 -6.030 11.567 1.00 0.00 H new ATOM 0 HG3 PRO A 38 67.411 -6.782 10.104 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.223 -4.002 10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 38 66.369 -4.806 9.432 1.00 0.00 H new ATOM 588 N THR A 39 65.662 -4.045 13.821 1.00 0.00 N ATOM 589 CA THR A 39 65.996 -3.529 15.179 1.00 0.00 C ATOM 590 C THR A 39 64.863 -2.627 15.676 1.00 0.00 C ATOM 591 O THR A 39 64.792 -2.289 16.841 1.00 0.00 O ATOM 592 CB THR A 39 67.295 -2.723 15.113 1.00 0.00 C ATOM 593 OG1 THR A 39 67.004 -1.389 14.721 1.00 0.00 O ATOM 594 CG2 THR A 39 68.244 -3.360 14.096 1.00 0.00 C ATOM 0 H THR A 39 65.675 -3.348 13.076 1.00 0.00 H new ATOM 0 HA THR A 39 66.121 -4.367 15.865 1.00 0.00 H new ATOM 0 HB THR A 39 67.769 -2.719 16.095 1.00 0.00 H new ATOM 0 HG1 THR A 39 67.835 -0.871 14.680 1.00 0.00 H new ATOM 0 HG21 THR A 39 69.168 -2.784 14.051 1.00 0.00 H new ATOM 0 HG22 THR A 39 68.468 -4.383 14.398 1.00 0.00 H new ATOM 0 HG23 THR A 39 67.773 -3.367 13.113 1.00 0.00 H new ATOM 602 N GLY A 40 63.977 -2.235 14.801 1.00 0.00 N ATOM 603 CA GLY A 40 62.850 -1.356 15.224 1.00 0.00 C ATOM 604 C GLY A 40 63.035 0.040 14.624 1.00 0.00 C ATOM 605 O GLY A 40 62.532 1.018 15.140 1.00 0.00 O ATOM 0 H GLY A 40 63.985 -2.485 13.812 1.00 0.00 H new ATOM 0 HA2 GLY A 40 61.901 -1.781 14.896 1.00 0.00 H new ATOM 0 HA3 GLY A 40 62.813 -1.293 16.312 1.00 0.00 H new ATOM 609 N ASP A 41 63.752 0.140 13.538 1.00 0.00 N ATOM 610 CA ASP A 41 63.967 1.474 12.907 1.00 0.00 C ATOM 611 C ASP A 41 62.966 1.663 11.764 1.00 0.00 C ATOM 612 O ASP A 41 62.902 0.871 10.844 1.00 0.00 O ATOM 613 CB ASP A 41 65.392 1.554 12.355 1.00 0.00 C ATOM 614 CG ASP A 41 65.765 3.017 12.109 1.00 0.00 C ATOM 615 OD1 ASP A 41 66.171 3.672 13.055 1.00 0.00 O ATOM 616 OD2 ASP A 41 65.638 3.458 10.979 1.00 0.00 O ATOM 0 H ASP A 41 64.198 -0.643 13.061 1.00 0.00 H new ATOM 0 HA ASP A 41 63.822 2.257 13.652 1.00 0.00 H new ATOM 0 HB2 ASP A 41 66.091 1.103 13.059 1.00 0.00 H new ATOM 0 HB3 ASP A 41 65.465 0.988 11.426 1.00 0.00 H new ATOM 621 N ARG A 42 62.183 2.707 11.816 1.00 0.00 N ATOM 622 CA ARG A 42 61.186 2.945 10.734 1.00 0.00 C ATOM 623 C ARG A 42 61.643 4.116 9.862 1.00 0.00 C ATOM 624 O ARG A 42 61.896 5.202 10.345 1.00 0.00 O ATOM 625 CB ARG A 42 59.828 3.276 11.358 1.00 0.00 C ATOM 626 CG ARG A 42 58.761 2.343 10.783 1.00 0.00 C ATOM 627 CD ARG A 42 58.007 1.665 11.928 1.00 0.00 C ATOM 628 NE ARG A 42 56.599 2.153 11.953 1.00 0.00 N ATOM 629 CZ ARG A 42 56.177 2.879 12.952 1.00 0.00 C ATOM 630 NH1 ARG A 42 56.671 4.071 13.148 1.00 0.00 N ATOM 631 NH2 ARG A 42 55.260 2.413 13.755 1.00 0.00 N ATOM 0 H ARG A 42 62.191 3.404 12.560 1.00 0.00 H new ATOM 0 HA ARG A 42 61.098 2.049 10.120 1.00 0.00 H new ATOM 0 HB2 ARG A 42 59.877 3.166 12.441 1.00 0.00 H new ATOM 0 HB3 ARG A 42 59.566 4.314 11.155 1.00 0.00 H new ATOM 0 HG2 ARG A 42 58.067 2.907 10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 42 59.225 1.592 10.144 1.00 0.00 H new ATOM 0 HD2 ARG A 42 58.026 0.583 11.800 1.00 0.00 H new ATOM 0 HD3 ARG A 42 58.495 1.882 12.878 1.00 0.00 H new ATOM 0 HE ARG A 42 55.965 1.919 11.189 1.00 0.00 H new ATOM 0 HH11 ARG A 42 57.387 4.436 12.520 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.341 4.638 13.929 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.873 1.482 13.602 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.930 2.980 14.536 1.00 0.00 H new ATOM 645 N ILE A 43 61.751 3.904 8.580 1.00 0.00 N ATOM 646 CA ILE A 43 62.191 5.004 7.677 1.00 0.00 C ATOM 647 C ILE A 43 61.192 5.149 6.526 1.00 0.00 C ATOM 648 O ILE A 43 60.556 4.195 6.119 1.00 0.00 O ATOM 649 CB ILE A 43 63.573 4.678 7.112 1.00 0.00 C ATOM 650 CG1 ILE A 43 64.535 4.363 8.262 1.00 0.00 C ATOM 651 CG2 ILE A 43 64.095 5.880 6.324 1.00 0.00 C ATOM 652 CD1 ILE A 43 64.235 2.969 8.816 1.00 0.00 C ATOM 0 H ILE A 43 61.554 3.016 8.118 1.00 0.00 H new ATOM 0 HA ILE A 43 62.238 5.937 8.238 1.00 0.00 H new ATOM 0 HB ILE A 43 63.502 3.813 6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 43 65.566 4.411 7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 43 64.432 5.109 9.050 1.00 0.00 H new ATOM 0 HG21 ILE A 43 65.081 5.650 5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 43 63.411 6.104 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 43 64.166 6.745 6.984 1.00 0.00 H new ATOM 0 HD11 ILE A 43 64.921 2.747 9.634 1.00 0.00 H new ATOM 0 HD12 ILE A 43 63.209 2.936 9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 43 64.361 2.229 8.026 1.00 0.00 H new ATOM 664 N ARG A 44 61.044 6.336 6.001 1.00 0.00 N ATOM 665 CA ARG A 44 60.081 6.537 4.883 1.00 0.00 C ATOM 666 C ARG A 44 60.619 7.583 3.902 1.00 0.00 C ATOM 667 O ARG A 44 59.921 8.024 3.011 1.00 0.00 O ATOM 668 CB ARG A 44 58.745 7.014 5.451 1.00 0.00 C ATOM 669 CG ARG A 44 58.207 5.964 6.422 1.00 0.00 C ATOM 670 CD ARG A 44 56.933 6.490 7.087 1.00 0.00 C ATOM 671 NE ARG A 44 57.126 6.538 8.563 1.00 0.00 N ATOM 672 CZ ARG A 44 56.869 7.637 9.219 1.00 0.00 C ATOM 673 NH1 ARG A 44 55.973 8.471 8.769 1.00 0.00 N ATOM 674 NH2 ARG A 44 57.507 7.900 10.326 1.00 0.00 N ATOM 0 H ARG A 44 61.547 7.172 6.298 1.00 0.00 H new ATOM 0 HA ARG A 44 59.945 5.593 4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 44 58.874 7.968 5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 44 58.031 7.179 4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 44 57.996 5.036 5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 44 58.957 5.735 7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 44 56.696 7.484 6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 44 56.089 5.846 6.841 1.00 0.00 H new ATOM 0 HE ARG A 44 57.459 5.712 9.061 1.00 0.00 H new ATOM 0 HH11 ARG A 44 55.473 8.265 7.904 1.00 0.00 H new ATOM 0 HH12 ARG A 44 55.772 9.330 9.282 1.00 0.00 H new ATOM 0 HH21 ARG A 44 58.207 7.247 10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 44 57.306 8.759 10.839 1.00 0.00 H new ATOM 688 N SER A 45 61.853 7.983 4.051 1.00 0.00 N ATOM 689 CA SER A 45 62.420 8.997 3.117 1.00 0.00 C ATOM 690 C SER A 45 63.240 8.289 2.037 1.00 0.00 C ATOM 691 O SER A 45 63.973 8.908 1.293 1.00 0.00 O ATOM 692 CB SER A 45 63.310 9.968 3.892 1.00 0.00 C ATOM 693 OG SER A 45 62.794 11.286 3.760 1.00 0.00 O ATOM 0 H SER A 45 62.490 7.653 4.776 1.00 0.00 H new ATOM 0 HA SER A 45 61.610 9.554 2.647 1.00 0.00 H new ATOM 0 HB2 SER A 45 63.348 9.684 4.944 1.00 0.00 H new ATOM 0 HB3 SER A 45 64.331 9.925 3.513 1.00 0.00 H new ATOM 0 HG SER A 45 63.362 11.911 4.257 1.00 0.00 H new ATOM 699 N LYS A 46 63.110 6.994 1.940 1.00 0.00 N ATOM 700 CA LYS A 46 63.866 6.238 0.903 1.00 0.00 C ATOM 701 C LYS A 46 65.371 6.362 1.150 1.00 0.00 C ATOM 702 O LYS A 46 65.951 5.593 1.887 1.00 0.00 O ATOM 703 CB LYS A 46 63.523 6.795 -0.482 1.00 0.00 C ATOM 704 CG LYS A 46 64.384 6.108 -1.544 1.00 0.00 C ATOM 705 CD LYS A 46 64.583 7.056 -2.729 1.00 0.00 C ATOM 706 CE LYS A 46 63.286 7.148 -3.533 1.00 0.00 C ATOM 707 NZ LYS A 46 62.609 8.442 -3.237 1.00 0.00 N ATOM 0 H LYS A 46 62.510 6.425 2.537 1.00 0.00 H new ATOM 0 HA LYS A 46 63.587 5.185 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 46 62.467 6.634 -0.697 1.00 0.00 H new ATOM 0 HB3 LYS A 46 63.693 7.871 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 46 65.349 5.829 -1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 46 63.904 5.188 -1.877 1.00 0.00 H new ATOM 0 HD2 LYS A 46 64.873 8.044 -2.373 1.00 0.00 H new ATOM 0 HD3 LYS A 46 65.392 6.696 -3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 46 63.500 7.073 -4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 46 62.629 6.316 -3.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 61.744 8.520 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 62.361 8.481 -2.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 63.249 9.229 -3.467 1.00 0.00 H new ATOM 721 N VAL A 47 66.011 7.313 0.530 1.00 0.00 N ATOM 722 CA VAL A 47 67.481 7.462 0.724 1.00 0.00 C ATOM 723 C VAL A 47 67.796 7.600 2.215 1.00 0.00 C ATOM 724 O VAL A 47 68.894 7.319 2.652 1.00 0.00 O ATOM 725 CB VAL A 47 67.977 8.692 -0.034 1.00 0.00 C ATOM 726 CG1 VAL A 47 69.484 8.853 0.182 1.00 0.00 C ATOM 727 CG2 VAL A 47 67.692 8.506 -1.529 1.00 0.00 C ATOM 0 H VAL A 47 65.583 7.991 -0.100 1.00 0.00 H new ATOM 0 HA VAL A 47 67.988 6.578 0.337 1.00 0.00 H new ATOM 0 HB VAL A 47 67.464 9.581 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 47 69.837 9.731 -0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 47 69.688 8.976 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 47 70.001 7.967 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 47 68.043 9.380 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL A 47 68.211 7.618 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 47 66.619 8.388 -1.683 1.00 0.00 H new ATOM 737 N GLU A 48 66.843 8.014 3.005 1.00 0.00 N ATOM 738 CA GLU A 48 67.104 8.146 4.465 1.00 0.00 C ATOM 739 C GLU A 48 67.411 6.766 5.035 1.00 0.00 C ATOM 740 O GLU A 48 68.373 6.576 5.751 1.00 0.00 O ATOM 741 CB GLU A 48 65.876 8.721 5.165 1.00 0.00 C ATOM 742 CG GLU A 48 66.068 10.224 5.360 1.00 0.00 C ATOM 743 CD GLU A 48 65.340 10.671 6.629 1.00 0.00 C ATOM 744 OE1 GLU A 48 65.062 9.822 7.459 1.00 0.00 O ATOM 745 OE2 GLU A 48 65.073 11.856 6.749 1.00 0.00 O ATOM 0 H GLU A 48 65.901 8.265 2.704 1.00 0.00 H new ATOM 0 HA GLU A 48 67.949 8.816 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 48 64.982 8.530 4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 48 65.730 8.233 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 48 67.130 10.459 5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 48 65.682 10.766 4.497 1.00 0.00 H new ATOM 752 N LEU A 49 66.607 5.793 4.713 1.00 0.00 N ATOM 753 CA LEU A 49 66.874 4.427 5.226 1.00 0.00 C ATOM 754 C LEU A 49 68.156 3.920 4.572 1.00 0.00 C ATOM 755 O LEU A 49 68.854 3.084 5.109 1.00 0.00 O ATOM 756 CB LEU A 49 65.702 3.506 4.880 1.00 0.00 C ATOM 757 CG LEU A 49 65.729 3.164 3.392 1.00 0.00 C ATOM 758 CD1 LEU A 49 66.183 1.715 3.210 1.00 0.00 C ATOM 759 CD2 LEU A 49 64.324 3.339 2.810 1.00 0.00 C ATOM 0 H LEU A 49 65.782 5.886 4.120 1.00 0.00 H new ATOM 0 HA LEU A 49 66.989 4.441 6.310 1.00 0.00 H new ATOM 0 HB2 LEU A 49 65.759 2.593 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 49 64.760 3.992 5.133 1.00 0.00 H new ATOM 0 HG LEU A 49 66.423 3.826 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.202 1.470 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.182 1.591 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 49 65.489 1.049 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.337 3.096 1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 49 63.631 2.674 3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 49 64.002 4.372 2.942 1.00 0.00 H new ATOM 771 N THR A 50 68.479 4.442 3.419 1.00 0.00 N ATOM 772 CA THR A 50 69.726 4.018 2.728 1.00 0.00 C ATOM 773 C THR A 50 70.923 4.487 3.553 1.00 0.00 C ATOM 774 O THR A 50 71.695 3.692 4.050 1.00 0.00 O ATOM 775 CB THR A 50 69.785 4.653 1.339 1.00 0.00 C ATOM 776 OG1 THR A 50 68.506 4.570 0.728 1.00 0.00 O ATOM 777 CG2 THR A 50 70.814 3.913 0.483 1.00 0.00 C ATOM 0 H THR A 50 67.929 5.146 2.926 1.00 0.00 H new ATOM 0 HA THR A 50 69.743 2.933 2.625 1.00 0.00 H new ATOM 0 HB THR A 50 70.076 5.700 1.428 1.00 0.00 H new ATOM 0 HG1 THR A 50 67.850 5.047 1.277 1.00 0.00 H new ATOM 0 HG21 THR A 50 70.856 4.366 -0.508 1.00 0.00 H new ATOM 0 HG22 THR A 50 71.795 3.979 0.954 1.00 0.00 H new ATOM 0 HG23 THR A 50 70.526 2.866 0.391 1.00 0.00 H new ATOM 785 N ARG A 51 71.079 5.776 3.717 1.00 0.00 N ATOM 786 CA ARG A 51 72.226 6.275 4.529 1.00 0.00 C ATOM 787 C ARG A 51 72.208 5.562 5.882 1.00 0.00 C ATOM 788 O ARG A 51 73.211 5.468 6.562 1.00 0.00 O ATOM 789 CB ARG A 51 72.126 7.795 4.742 1.00 0.00 C ATOM 790 CG ARG A 51 70.671 8.256 4.626 1.00 0.00 C ATOM 791 CD ARG A 51 70.399 9.359 5.651 1.00 0.00 C ATOM 792 NE ARG A 51 69.896 10.574 4.949 1.00 0.00 N ATOM 793 CZ ARG A 51 70.472 10.977 3.849 1.00 0.00 C ATOM 794 NH1 ARG A 51 71.702 11.412 3.879 1.00 0.00 N ATOM 795 NH2 ARG A 51 69.819 10.944 2.720 1.00 0.00 N ATOM 0 H ARG A 51 70.469 6.496 3.329 1.00 0.00 H new ATOM 0 HA ARG A 51 73.158 6.069 4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 51 72.520 8.058 5.724 1.00 0.00 H new ATOM 0 HB3 ARG A 51 72.738 8.313 4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 51 70.475 8.625 3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 51 69.998 7.415 4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 51 69.666 9.018 6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 51 71.311 9.594 6.200 1.00 0.00 H new ATOM 0 HE ARG A 51 69.102 11.090 5.328 1.00 0.00 H new ATOM 0 HH11 ARG A 51 72.213 11.437 4.762 1.00 0.00 H new ATOM 0 HH12 ARG A 51 72.153 11.727 3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 51 68.858 10.603 2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 51 70.270 11.259 1.861 1.00 0.00 H new ATOM 809 N TYR A 52 71.071 5.045 6.268 1.00 0.00 N ATOM 810 CA TYR A 52 70.975 4.321 7.566 1.00 0.00 C ATOM 811 C TYR A 52 71.584 2.924 7.404 1.00 0.00 C ATOM 812 O TYR A 52 72.584 2.599 8.013 1.00 0.00 O ATOM 813 CB TYR A 52 69.499 4.209 7.971 1.00 0.00 C ATOM 814 CG TYR A 52 69.324 3.122 9.008 1.00 0.00 C ATOM 815 CD1 TYR A 52 70.268 2.967 10.029 1.00 0.00 C ATOM 816 CD2 TYR A 52 68.214 2.270 8.945 1.00 0.00 C ATOM 817 CE1 TYR A 52 70.103 1.959 10.987 1.00 0.00 C ATOM 818 CE2 TYR A 52 68.049 1.263 9.902 1.00 0.00 C ATOM 819 CZ TYR A 52 68.993 1.107 10.924 1.00 0.00 C ATOM 820 OH TYR A 52 68.830 0.114 11.867 1.00 0.00 O ATOM 0 H TYR A 52 70.202 5.094 5.736 1.00 0.00 H new ATOM 0 HA TYR A 52 71.518 4.862 8.341 1.00 0.00 H new ATOM 0 HB2 TYR A 52 69.150 5.162 8.370 1.00 0.00 H new ATOM 0 HB3 TYR A 52 68.890 3.988 7.095 1.00 0.00 H new ATOM 0 HD1 TYR A 52 71.123 3.624 10.078 1.00 0.00 H new ATOM 0 HD2 TYR A 52 67.485 2.391 8.157 1.00 0.00 H new ATOM 0 HE1 TYR A 52 70.832 1.838 11.775 1.00 0.00 H new ATOM 0 HE2 TYR A 52 67.193 0.606 9.852 1.00 0.00 H new ATOM 0 HH TYR A 52 68.008 -0.385 11.678 1.00 0.00 H new ATOM 830 N LEU A 53 70.992 2.096 6.584 1.00 0.00 N ATOM 831 CA LEU A 53 71.546 0.725 6.385 1.00 0.00 C ATOM 832 C LEU A 53 73.063 0.820 6.210 1.00 0.00 C ATOM 833 O LEU A 53 73.825 0.313 7.009 1.00 0.00 O ATOM 834 CB LEU A 53 70.938 0.090 5.128 1.00 0.00 C ATOM 835 CG LEU A 53 69.410 0.140 5.197 1.00 0.00 C ATOM 836 CD1 LEU A 53 68.849 0.469 3.812 1.00 0.00 C ATOM 837 CD2 LEU A 53 68.876 -1.221 5.649 1.00 0.00 C ATOM 0 H LEU A 53 70.152 2.309 6.046 1.00 0.00 H new ATOM 0 HA LEU A 53 71.304 0.111 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 53 71.287 0.618 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.272 -0.944 5.036 1.00 0.00 H new ATOM 0 HG LEU A 53 69.103 0.907 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 53 67.761 0.505 3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 53 69.230 1.437 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 53 69.156 -0.300 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 53 67.788 -1.187 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 53 69.183 -1.987 4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 53 69.277 -1.460 6.634 1.00 0.00 H new ATOM 849 N GLY A 54 73.504 1.468 5.166 1.00 0.00 N ATOM 850 CA GLY A 54 74.970 1.600 4.930 1.00 0.00 C ATOM 851 C GLY A 54 75.252 1.531 3.425 1.00 0.00 C ATOM 852 O GLY A 54 74.355 1.684 2.621 1.00 0.00 O ATOM 0 H GLY A 54 72.911 1.912 4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 54 75.331 2.545 5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 54 75.506 0.805 5.448 1.00 0.00 H new ATOM 856 N PRO A 55 76.496 1.299 3.092 1.00 0.00 N ATOM 857 CA PRO A 55 76.937 1.199 1.690 1.00 0.00 C ATOM 858 C PRO A 55 76.561 -0.170 1.116 1.00 0.00 C ATOM 859 O PRO A 55 76.711 -0.424 -0.063 1.00 0.00 O ATOM 860 CB PRO A 55 78.458 1.355 1.779 1.00 0.00 C ATOM 861 CG PRO A 55 78.850 0.970 3.226 1.00 0.00 C ATOM 862 CD PRO A 55 77.577 1.115 4.081 1.00 0.00 C ATOM 0 HA PRO A 55 76.477 1.942 1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 55 78.958 0.710 1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 55 78.758 2.379 1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 55 79.229 -0.051 3.266 1.00 0.00 H new ATOM 0 HG3 PRO A 55 79.643 1.619 3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 55 77.408 0.231 4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 55 77.647 1.966 4.758 1.00 0.00 H new ATOM 870 N ALA A 56 76.073 -1.052 1.943 1.00 0.00 N ATOM 871 CA ALA A 56 75.687 -2.404 1.450 1.00 0.00 C ATOM 872 C ALA A 56 74.321 -2.326 0.766 1.00 0.00 C ATOM 873 O ALA A 56 73.891 -3.255 0.111 1.00 0.00 O ATOM 874 CB ALA A 56 75.611 -3.373 2.631 1.00 0.00 C ATOM 0 H ALA A 56 75.925 -0.895 2.940 1.00 0.00 H new ATOM 0 HA ALA A 56 76.431 -2.758 0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 56 75.329 -4.363 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 56 76.584 -3.428 3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 56 74.866 -3.020 3.344 1.00 0.00 H new ATOM 880 N CYS A 57 73.634 -1.226 0.913 1.00 0.00 N ATOM 881 CA CYS A 57 72.296 -1.090 0.271 1.00 0.00 C ATOM 882 C CYS A 57 72.172 0.298 -0.359 1.00 0.00 C ATOM 883 O CYS A 57 72.764 1.254 0.101 1.00 0.00 O ATOM 884 CB CYS A 57 71.203 -1.272 1.327 1.00 0.00 C ATOM 885 SG CYS A 57 70.542 -2.954 1.226 1.00 0.00 S ATOM 0 H CYS A 57 73.942 -0.415 1.450 1.00 0.00 H new ATOM 0 HA CYS A 57 72.184 -1.850 -0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 57 71.609 -1.088 2.322 1.00 0.00 H new ATOM 0 HB3 CYS A 57 70.405 -0.546 1.169 1.00 0.00 H new ATOM 0 HG CYS A 57 69.860 -3.217 2.301 1.00 0.00 H new ATOM 891 N ASP A 58 71.408 0.417 -1.410 1.00 0.00 N ATOM 892 CA ASP A 58 71.249 1.744 -2.069 1.00 0.00 C ATOM 893 C ASP A 58 69.791 1.931 -2.491 1.00 0.00 C ATOM 894 O ASP A 58 69.062 0.978 -2.682 1.00 0.00 O ATOM 895 CB ASP A 58 72.150 1.810 -3.304 1.00 0.00 C ATOM 896 CG ASP A 58 71.607 0.870 -4.382 1.00 0.00 C ATOM 897 OD1 ASP A 58 71.143 -0.201 -4.028 1.00 0.00 O ATOM 898 OD2 ASP A 58 71.666 1.237 -5.544 1.00 0.00 O ATOM 0 H ASP A 58 70.887 -0.347 -1.841 1.00 0.00 H new ATOM 0 HA ASP A 58 71.530 2.533 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 58 72.191 2.831 -3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 58 73.169 1.527 -3.040 1.00 0.00 H new ATOM 903 N LEU A 59 69.357 3.153 -2.636 1.00 0.00 N ATOM 904 CA LEU A 59 67.945 3.397 -3.044 1.00 0.00 C ATOM 905 C LEU A 59 67.857 4.708 -3.820 1.00 0.00 C ATOM 906 O LEU A 59 66.789 5.255 -4.013 1.00 0.00 O ATOM 907 CB LEU A 59 67.066 3.488 -1.799 1.00 0.00 C ATOM 908 CG LEU A 59 66.900 2.096 -1.196 1.00 0.00 C ATOM 909 CD1 LEU A 59 68.073 1.803 -0.258 1.00 0.00 C ATOM 910 CD2 LEU A 59 65.589 2.042 -0.411 1.00 0.00 C ATOM 0 H LEU A 59 69.918 3.992 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 59 67.603 2.577 -3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 59 67.517 4.161 -1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 59 66.092 3.904 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 59 66.881 1.351 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 59 67.955 0.809 0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 59 69.007 1.847 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 59 68.094 2.544 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 59 65.465 1.050 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 59 65.611 2.786 0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.755 2.252 -1.081 1.00 0.00 H new ATOM 922 N THR A 60 68.968 5.218 -4.267 1.00 0.00 N ATOM 923 CA THR A 60 68.942 6.492 -5.029 1.00 0.00 C ATOM 924 C THR A 60 67.847 6.423 -6.093 1.00 0.00 C ATOM 925 O THR A 60 67.133 7.377 -6.328 1.00 0.00 O ATOM 926 CB THR A 60 70.297 6.706 -5.702 1.00 0.00 C ATOM 927 OG1 THR A 60 71.329 6.608 -4.729 1.00 0.00 O ATOM 928 CG2 THR A 60 70.330 8.090 -6.345 1.00 0.00 C ATOM 0 H THR A 60 69.892 4.807 -4.137 1.00 0.00 H new ATOM 0 HA THR A 60 68.738 7.321 -4.352 1.00 0.00 H new ATOM 0 HB THR A 60 70.449 5.946 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 60 72.199 6.743 -5.160 1.00 0.00 H new ATOM 0 HG21 THR A 60 71.296 8.245 -6.826 1.00 0.00 H new ATOM 0 HG22 THR A 60 69.538 8.164 -7.090 1.00 0.00 H new ATOM 0 HG23 THR A 60 70.180 8.851 -5.579 1.00 0.00 H new ATOM 936 N LEU A 61 67.714 5.300 -6.745 1.00 0.00 N ATOM 937 CA LEU A 61 66.672 5.167 -7.800 1.00 0.00 C ATOM 938 C LEU A 61 65.562 4.237 -7.310 1.00 0.00 C ATOM 939 O LEU A 61 64.563 4.042 -7.974 1.00 0.00 O ATOM 940 CB LEU A 61 67.309 4.578 -9.060 1.00 0.00 C ATOM 941 CG LEU A 61 68.120 5.660 -9.784 1.00 0.00 C ATOM 942 CD1 LEU A 61 67.167 6.614 -10.502 1.00 0.00 C ATOM 943 CD2 LEU A 61 68.960 6.449 -8.773 1.00 0.00 C ATOM 0 H LEU A 61 68.284 4.468 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 61 66.249 6.147 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 61 67.956 3.742 -8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 61 66.536 4.186 -9.721 1.00 0.00 H new ATOM 0 HG LEU A 61 68.782 5.185 -10.508 1.00 0.00 H new ATOM 0 HD11 LEU A 61 67.742 7.384 -11.017 1.00 0.00 H new ATOM 0 HD12 LEU A 61 66.574 6.058 -11.228 1.00 0.00 H new ATOM 0 HD13 LEU A 61 66.504 7.082 -9.774 1.00 0.00 H new ATOM 0 HD21 LEU A 61 69.533 7.215 -9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 61 68.302 6.922 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 61 69.643 5.772 -8.260 1.00 0.00 H new ATOM 955 N PHE A 62 65.730 3.658 -6.154 1.00 0.00 N ATOM 956 CA PHE A 62 64.688 2.736 -5.623 1.00 0.00 C ATOM 957 C PHE A 62 63.345 3.468 -5.537 1.00 0.00 C ATOM 958 O PHE A 62 63.269 4.599 -5.100 1.00 0.00 O ATOM 959 CB PHE A 62 65.106 2.254 -4.231 1.00 0.00 C ATOM 960 CG PHE A 62 63.928 1.610 -3.539 1.00 0.00 C ATOM 961 CD1 PHE A 62 63.668 0.247 -3.720 1.00 0.00 C ATOM 962 CD2 PHE A 62 63.095 2.379 -2.718 1.00 0.00 C ATOM 963 CE1 PHE A 62 62.575 -0.348 -3.079 1.00 0.00 C ATOM 964 CE2 PHE A 62 62.002 1.784 -2.078 1.00 0.00 C ATOM 965 CZ PHE A 62 61.742 0.420 -2.258 1.00 0.00 C ATOM 0 H PHE A 62 66.545 3.784 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 62 64.583 1.880 -6.289 1.00 0.00 H new ATOM 0 HB2 PHE A 62 65.926 1.540 -4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 62 65.473 3.093 -3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 62 64.311 -0.346 -4.354 1.00 0.00 H new ATOM 0 HD2 PHE A 62 63.296 3.431 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 62 62.375 -1.400 -3.218 1.00 0.00 H new ATOM 0 HE2 PHE A 62 61.359 2.377 -1.445 1.00 0.00 H new ATOM 0 HZ PHE A 62 60.899 -0.039 -1.763 1.00 0.00 H new ATOM 975 N ASP A 63 62.285 2.825 -5.946 1.00 0.00 N ATOM 976 CA ASP A 63 60.946 3.474 -5.882 1.00 0.00 C ATOM 977 C ASP A 63 60.355 3.266 -4.487 1.00 0.00 C ATOM 978 O ASP A 63 60.313 2.162 -3.982 1.00 0.00 O ATOM 979 CB ASP A 63 60.023 2.843 -6.926 1.00 0.00 C ATOM 980 CG ASP A 63 60.188 3.571 -8.261 1.00 0.00 C ATOM 981 OD1 ASP A 63 60.464 4.759 -8.235 1.00 0.00 O ATOM 982 OD2 ASP A 63 60.036 2.928 -9.287 1.00 0.00 O ATOM 0 H ASP A 63 62.289 1.877 -6.322 1.00 0.00 H new ATOM 0 HA ASP A 63 61.044 4.541 -6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 63 60.260 1.786 -7.045 1.00 0.00 H new ATOM 0 HB3 ASP A 63 58.987 2.902 -6.593 1.00 0.00 H new ATOM 987 N PHE A 64 59.905 4.314 -3.855 1.00 0.00 N ATOM 988 CA PHE A 64 59.329 4.160 -2.491 1.00 0.00 C ATOM 989 C PHE A 64 57.857 3.756 -2.601 1.00 0.00 C ATOM 990 O PHE A 64 56.983 4.396 -2.051 1.00 0.00 O ATOM 991 CB PHE A 64 59.444 5.481 -1.730 1.00 0.00 C ATOM 992 CG PHE A 64 59.857 5.195 -0.307 1.00 0.00 C ATOM 993 CD1 PHE A 64 61.076 4.558 -0.053 1.00 0.00 C ATOM 994 CD2 PHE A 64 59.024 5.562 0.756 1.00 0.00 C ATOM 995 CE1 PHE A 64 61.465 4.287 1.263 1.00 0.00 C ATOM 996 CE2 PHE A 64 59.413 5.291 2.075 1.00 0.00 C ATOM 997 CZ PHE A 64 60.634 4.652 2.327 1.00 0.00 C ATOM 0 H PHE A 64 59.911 5.266 -4.222 1.00 0.00 H new ATOM 0 HA PHE A 64 59.878 3.387 -1.952 1.00 0.00 H new ATOM 0 HB2 PHE A 64 60.176 6.130 -2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 64 58.491 6.009 -1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 64 61.718 4.275 -0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 64 58.082 6.053 0.560 1.00 0.00 H new ATOM 0 HE1 PHE A 64 62.407 3.796 1.457 1.00 0.00 H new ATOM 0 HE2 PHE A 64 58.772 5.575 2.897 1.00 0.00 H new ATOM 0 HZ PHE A 64 60.934 4.441 3.343 1.00 0.00 H new ATOM 1007 N LYS A 65 57.581 2.694 -3.306 1.00 0.00 N ATOM 1008 CA LYS A 65 56.171 2.237 -3.456 1.00 0.00 C ATOM 1009 C LYS A 65 56.153 0.924 -4.240 1.00 0.00 C ATOM 1010 O LYS A 65 55.442 -0.003 -3.903 1.00 0.00 O ATOM 1011 CB LYS A 65 55.362 3.296 -4.209 1.00 0.00 C ATOM 1012 CG LYS A 65 53.971 3.411 -3.585 1.00 0.00 C ATOM 1013 CD LYS A 65 52.967 3.844 -4.654 1.00 0.00 C ATOM 1014 CE LYS A 65 53.406 5.178 -5.257 1.00 0.00 C ATOM 1015 NZ LYS A 65 52.564 5.486 -6.447 1.00 0.00 N ATOM 0 H LYS A 65 58.274 2.121 -3.787 1.00 0.00 H new ATOM 0 HA LYS A 65 55.729 2.084 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 65 55.873 4.258 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 65 55.279 3.026 -5.262 1.00 0.00 H new ATOM 0 HG2 LYS A 65 53.673 2.454 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 65 53.985 4.134 -2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 65 52.900 3.085 -5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 65 51.973 3.940 -4.217 1.00 0.00 H new ATOM 0 HE2 LYS A 65 53.312 5.972 -4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 65 54.457 5.132 -5.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 52.862 6.394 -6.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 52.675 4.732 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 51.566 5.547 -6.160 1.00 0.00 H new ATOM 1029 N GLN A 66 56.936 0.836 -5.280 1.00 0.00 N ATOM 1030 CA GLN A 66 56.974 -0.417 -6.084 1.00 0.00 C ATOM 1031 C GLN A 66 57.925 -1.413 -5.415 1.00 0.00 C ATOM 1032 O GLN A 66 57.614 -2.577 -5.263 1.00 0.00 O ATOM 1033 CB GLN A 66 57.472 -0.102 -7.496 1.00 0.00 C ATOM 1034 CG GLN A 66 56.285 0.264 -8.389 1.00 0.00 C ATOM 1035 CD GLN A 66 56.632 -0.034 -9.849 1.00 0.00 C ATOM 1036 OE1 GLN A 66 56.540 -1.163 -10.288 1.00 0.00 O ATOM 1037 NE2 GLN A 66 57.028 0.937 -10.625 1.00 0.00 N ATOM 0 H GLN A 66 57.552 1.580 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 66 55.974 -0.848 -6.143 1.00 0.00 H new ATOM 0 HB2 GLN A 66 58.185 0.722 -7.466 1.00 0.00 H new ATOM 0 HB3 GLN A 66 57.998 -0.963 -7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 66 55.404 -0.304 -8.091 1.00 0.00 H new ATOM 0 HG3 GLN A 66 56.039 1.319 -8.271 1.00 0.00 H new ATOM 0 HE21 GLN A 66 57.105 1.885 -10.257 1.00 0.00 H new ATOM 0 HE22 GLN A 66 57.260 0.748 -11.600 1.00 0.00 H new ATOM 1046 N GLY A 67 59.081 -0.960 -5.012 1.00 0.00 N ATOM 1047 CA GLY A 67 60.053 -1.875 -4.349 1.00 0.00 C ATOM 1048 C GLY A 67 61.161 -2.253 -5.333 1.00 0.00 C ATOM 1049 O GLY A 67 61.693 -3.345 -5.291 1.00 0.00 O ATOM 0 H GLY A 67 59.394 0.005 -5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 67 60.482 -1.391 -3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 67 59.542 -2.772 -4.000 1.00 0.00 H new ATOM 1053 N ILE A 68 61.515 -1.364 -6.221 1.00 0.00 N ATOM 1054 CA ILE A 68 62.589 -1.684 -7.203 1.00 0.00 C ATOM 1055 C ILE A 68 63.478 -0.454 -7.415 1.00 0.00 C ATOM 1056 O ILE A 68 63.102 0.657 -7.100 1.00 0.00 O ATOM 1057 CB ILE A 68 61.955 -2.092 -8.534 1.00 0.00 C ATOM 1058 CG1 ILE A 68 61.172 -0.909 -9.108 1.00 0.00 C ATOM 1059 CG2 ILE A 68 61.005 -3.271 -8.309 1.00 0.00 C ATOM 1060 CD1 ILE A 68 61.995 -0.243 -10.212 1.00 0.00 C ATOM 0 H ILE A 68 61.108 -0.433 -6.309 1.00 0.00 H new ATOM 0 HA ILE A 68 63.196 -2.505 -6.821 1.00 0.00 H new ATOM 0 HB ILE A 68 62.737 -2.386 -9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 68 60.217 -1.250 -9.507 1.00 0.00 H new ATOM 0 HG13 ILE A 68 60.950 -0.189 -8.320 1.00 0.00 H new ATOM 0 HG21 ILE A 68 60.554 -3.561 -9.258 1.00 0.00 H new ATOM 0 HG22 ILE A 68 61.562 -4.114 -7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 68 60.222 -2.979 -7.609 1.00 0.00 H new ATOM 0 HD11 ILE A 68 61.439 0.600 -10.622 1.00 0.00 H new ATOM 0 HD12 ILE A 68 62.939 0.112 -9.798 1.00 0.00 H new ATOM 0 HD13 ILE A 68 62.194 -0.966 -11.003 1.00 0.00 H new ATOM 1072 N LEU A 69 64.654 -0.646 -7.952 1.00 0.00 N ATOM 1073 CA LEU A 69 65.569 0.504 -8.192 1.00 0.00 C ATOM 1074 C LEU A 69 66.330 0.270 -9.497 1.00 0.00 C ATOM 1075 O LEU A 69 66.372 -0.830 -10.012 1.00 0.00 O ATOM 1076 CB LEU A 69 66.566 0.616 -7.037 1.00 0.00 C ATOM 1077 CG LEU A 69 67.448 -0.635 -6.996 1.00 0.00 C ATOM 1078 CD1 LEU A 69 68.838 -0.265 -6.477 1.00 0.00 C ATOM 1079 CD2 LEU A 69 66.818 -1.672 -6.064 1.00 0.00 C ATOM 0 H LEU A 69 65.020 -1.555 -8.235 1.00 0.00 H new ATOM 0 HA LEU A 69 64.991 1.425 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 69 67.184 1.505 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 69 66.033 0.728 -6.093 1.00 0.00 H new ATOM 0 HG LEU A 69 67.534 -1.050 -8.000 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.465 -1.156 -6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 69 69.289 0.474 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 69 68.753 0.151 -5.473 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.445 -2.563 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 69 66.732 -1.255 -5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 69 65.827 -1.938 -6.432 1.00 0.00 H new ATOM 1091 N CYS A 70 66.935 1.290 -10.037 1.00 0.00 N ATOM 1092 CA CYS A 70 67.692 1.112 -11.307 1.00 0.00 C ATOM 1093 C CYS A 70 68.734 2.222 -11.442 1.00 0.00 C ATOM 1094 O CYS A 70 68.807 3.117 -10.625 1.00 0.00 O ATOM 1095 CB CYS A 70 66.727 1.174 -12.492 1.00 0.00 C ATOM 1096 SG CYS A 70 65.686 2.648 -12.347 1.00 0.00 S ATOM 0 H CYS A 70 66.938 2.236 -9.656 1.00 0.00 H new ATOM 0 HA CYS A 70 68.192 0.143 -11.296 1.00 0.00 H new ATOM 0 HB2 CYS A 70 67.285 1.201 -13.428 1.00 0.00 H new ATOM 0 HB3 CYS A 70 66.106 0.278 -12.516 1.00 0.00 H new ATOM 0 HG CYS A 70 64.867 2.702 -13.355 1.00 0.00 H new ATOM 1102 N TYR A 71 69.534 2.167 -12.475 1.00 0.00 N ATOM 1103 CA TYR A 71 70.579 3.210 -12.692 1.00 0.00 C ATOM 1104 C TYR A 71 71.674 2.654 -13.618 1.00 0.00 C ATOM 1105 O TYR A 71 72.053 3.307 -14.570 1.00 0.00 O ATOM 1106 CB TYR A 71 71.182 3.651 -11.347 1.00 0.00 C ATOM 1107 CG TYR A 71 72.498 4.359 -11.575 1.00 0.00 C ATOM 1108 CD1 TYR A 71 73.679 3.619 -11.715 1.00 0.00 C ATOM 1109 CD2 TYR A 71 72.536 5.757 -11.639 1.00 0.00 C ATOM 1110 CE1 TYR A 71 74.897 4.279 -11.921 1.00 0.00 C ATOM 1111 CE2 TYR A 71 73.754 6.416 -11.843 1.00 0.00 C ATOM 1112 CZ TYR A 71 74.935 5.677 -11.984 1.00 0.00 C ATOM 1113 OH TYR A 71 76.136 6.327 -12.185 1.00 0.00 O ATOM 0 H TYR A 71 69.507 1.435 -13.185 1.00 0.00 H new ATOM 0 HA TYR A 71 70.124 4.082 -13.162 1.00 0.00 H new ATOM 0 HB2 TYR A 71 70.489 4.313 -10.829 1.00 0.00 H new ATOM 0 HB3 TYR A 71 71.334 2.783 -10.705 1.00 0.00 H new ATOM 0 HD1 TYR A 71 73.650 2.541 -11.664 1.00 0.00 H new ATOM 0 HD2 TYR A 71 71.625 6.327 -11.531 1.00 0.00 H new ATOM 0 HE1 TYR A 71 75.808 3.709 -12.031 1.00 0.00 H new ATOM 0 HE2 TYR A 71 73.783 7.495 -11.892 1.00 0.00 H new ATOM 0 HH TYR A 71 75.985 7.295 -12.204 1.00 0.00 H new ATOM 1123 N PRO A 72 72.148 1.462 -13.326 1.00 0.00 N ATOM 1124 CA PRO A 72 73.192 0.814 -14.142 1.00 0.00 C ATOM 1125 C PRO A 72 72.573 0.194 -15.398 1.00 0.00 C ATOM 1126 O PRO A 72 72.113 -0.931 -15.382 1.00 0.00 O ATOM 1127 CB PRO A 72 73.743 -0.278 -13.223 1.00 0.00 C ATOM 1128 CG PRO A 72 72.635 -0.576 -12.187 1.00 0.00 C ATOM 1129 CD PRO A 72 71.705 0.653 -12.169 1.00 0.00 C ATOM 0 HA PRO A 72 73.960 1.508 -14.483 1.00 0.00 H new ATOM 0 HB2 PRO A 72 73.994 -1.174 -13.791 1.00 0.00 H new ATOM 0 HB3 PRO A 72 74.657 0.054 -12.730 1.00 0.00 H new ATOM 0 HG2 PRO A 72 72.083 -1.476 -12.459 1.00 0.00 H new ATOM 0 HG3 PRO A 72 73.064 -0.751 -11.201 1.00 0.00 H new ATOM 0 HD2 PRO A 72 70.659 0.362 -12.264 1.00 0.00 H new ATOM 0 HD3 PRO A 72 71.798 1.209 -11.236 1.00 0.00 H new ATOM 1137 N ALA A 73 72.557 0.913 -16.486 1.00 0.00 N ATOM 1138 CA ALA A 73 71.967 0.354 -17.735 1.00 0.00 C ATOM 1139 C ALA A 73 72.191 1.334 -18.890 1.00 0.00 C ATOM 1140 O ALA A 73 72.177 2.533 -18.695 1.00 0.00 O ATOM 1141 CB ALA A 73 70.466 0.136 -17.536 1.00 0.00 C ATOM 0 H ALA A 73 72.926 1.861 -16.565 1.00 0.00 H new ATOM 0 HA ALA A 73 72.446 -0.597 -17.968 1.00 0.00 H new ATOM 0 HB1 ALA A 73 70.034 -0.273 -18.449 1.00 0.00 H new ATOM 0 HB2 ALA A 73 70.305 -0.562 -16.714 1.00 0.00 H new ATOM 0 HB3 ALA A 73 69.988 1.087 -17.303 1.00 0.00 H new ATOM 1147 N PRO A 74 72.391 0.790 -20.064 1.00 0.00 N ATOM 1148 CA PRO A 74 72.621 1.589 -21.279 1.00 0.00 C ATOM 1149 C PRO A 74 71.297 2.145 -21.810 1.00 0.00 C ATOM 1150 O PRO A 74 70.462 1.416 -22.308 1.00 0.00 O ATOM 1151 CB PRO A 74 73.222 0.582 -22.263 1.00 0.00 C ATOM 1152 CG PRO A 74 72.781 -0.819 -21.776 1.00 0.00 C ATOM 1153 CD PRO A 74 72.406 -0.670 -20.290 1.00 0.00 C ATOM 0 HA PRO A 74 73.267 2.450 -21.110 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.868 0.770 -23.277 1.00 0.00 H new ATOM 0 HB3 PRO A 74 74.309 0.661 -22.285 1.00 0.00 H new ATOM 0 HG2 PRO A 74 71.932 -1.181 -22.356 1.00 0.00 H new ATOM 0 HG3 PRO A 74 73.585 -1.544 -21.902 1.00 0.00 H new ATOM 0 HD2 PRO A 74 71.434 -1.116 -20.078 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.131 -1.165 -19.645 1.00 0.00 H new ATOM 1161 N LYS A 75 71.097 3.430 -21.707 1.00 0.00 N ATOM 1162 CA LYS A 75 69.827 4.027 -22.205 1.00 0.00 C ATOM 1163 C LYS A 75 70.077 4.701 -23.556 1.00 0.00 C ATOM 1164 O LYS A 75 69.966 4.021 -24.564 1.00 0.00 O ATOM 1165 CB LYS A 75 69.323 5.066 -21.201 1.00 0.00 C ATOM 1166 CG LYS A 75 68.124 4.497 -20.440 1.00 0.00 C ATOM 1167 CD LYS A 75 66.869 4.608 -21.308 1.00 0.00 C ATOM 1168 CE LYS A 75 65.634 4.276 -20.468 1.00 0.00 C ATOM 1169 NZ LYS A 75 64.871 3.173 -21.119 1.00 0.00 N ATOM 1170 OXT LYS A 75 70.373 5.884 -23.561 1.00 0.00 O ATOM 0 H LYS A 75 71.758 4.092 -21.300 1.00 0.00 H new ATOM 0 HA LYS A 75 69.078 3.244 -22.322 1.00 0.00 H new ATOM 0 HB2 LYS A 75 70.118 5.330 -20.504 1.00 0.00 H new ATOM 0 HB3 LYS A 75 69.037 5.981 -21.720 1.00 0.00 H new ATOM 0 HG2 LYS A 75 68.307 3.455 -20.178 1.00 0.00 H new ATOM 0 HG3 LYS A 75 67.982 5.040 -19.506 1.00 0.00 H new ATOM 0 HD2 LYS A 75 66.784 5.615 -21.716 1.00 0.00 H new ATOM 0 HD3 LYS A 75 66.939 3.926 -22.156 1.00 0.00 H new ATOM 0 HE2 LYS A 75 65.934 3.981 -19.462 1.00 0.00 H new ATOM 0 HE3 LYS A 75 65.002 5.159 -20.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 64.032 2.947 -20.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 64.573 3.471 -22.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 65.475 2.330 -21.194 1.00 0.00 H new TER 1184 LYS A 75