USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 752 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 32 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 64 MET CE :methyl -146:sc= -0.085 (180deg=-0.0268) USER MOD Set 2.1: A 25 SER OG : rot 47:sc= -0.949! USER MOD Set 2.2: A 35 LYS NZ :NH3+ 150:sc= 0.656 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 140:sc= -0.523 (180deg=-2.83!) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= 1.1 (180deg=0.415) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 139:sc= -3.39! USER MOD Single : A 23 SER OG : rot 111:sc= 0.773 USER MOD Single : A 28 ASN : amide:sc= 0.201! K(o=0.2!,f=-1.4) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -8.38! K(o=-8.4!,f=-3) USER MOD Single : A 43 SER OG : rot 118:sc= -1.3! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 54:sc= -3.63! USER MOD Single : A 61 HIS : no HD1:sc= -4.98 X(o=-5,f=-4.6!) USER MOD Single : A 74 MET CE :methyl -135:sc= -4.07! (180deg=-8.44!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 97:sc= -0.34 USER MOD Single : A 83 LYS NZ :NH3+ -117:sc=-0.000215 (180deg=-0.25) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -147:sc= -0.586 (180deg=-0.969) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -14.332 -5.159 17.997 1.00 0.00 N ATOM 2 CA PRO A 6 -13.546 -4.003 18.491 1.00 0.00 C ATOM 3 C PRO A 6 -12.764 -3.368 17.340 1.00 0.00 C ATOM 4 O PRO A 6 -12.979 -3.683 16.187 1.00 0.00 O ATOM 5 CB PRO A 6 -12.601 -4.625 19.516 1.00 0.00 C ATOM 6 CG PRO A 6 -12.475 -6.058 19.108 1.00 0.00 C ATOM 7 CD PRO A 6 -13.762 -6.441 18.425 1.00 0.00 C ATOM 0 HA PRO A 6 -14.162 -3.211 18.916 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.631 -4.127 19.512 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.001 -4.536 20.526 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.628 -6.194 18.436 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.297 -6.691 19.977 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.582 -7.101 17.576 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.432 -6.969 19.103 1.00 0.00 H new ATOM 15 N TRP A 7 -11.857 -2.482 17.640 1.00 0.00 N ATOM 16 CA TRP A 7 -11.068 -1.841 16.554 1.00 0.00 C ATOM 17 C TRP A 7 -10.146 -2.874 15.906 1.00 0.00 C ATOM 18 O TRP A 7 -9.326 -3.483 16.565 1.00 0.00 O ATOM 19 CB TRP A 7 -10.245 -0.746 17.233 1.00 0.00 C ATOM 20 CG TRP A 7 -9.462 -0.021 16.188 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.812 0.056 14.887 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.214 0.722 16.323 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.860 0.792 14.209 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.856 1.226 15.049 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.365 1.003 17.409 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.701 1.984 14.860 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.201 1.766 17.221 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.870 2.255 15.949 1.00 0.00 C ATOM 0 H TRP A 7 -11.629 -2.175 18.586 1.00 0.00 H new ATOM 0 HA TRP A 7 -11.706 -1.433 15.770 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.900 -0.054 17.763 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.575 -1.181 17.974 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.694 -0.386 14.447 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.895 0.990 13.209 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.610 0.630 18.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.451 2.359 13.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.557 1.978 18.061 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.973 2.841 15.812 1.00 0.00 H new ATOM 39 N ALA A 8 -10.270 -3.075 14.624 1.00 0.00 N ATOM 40 CA ALA A 8 -9.397 -4.069 13.936 1.00 0.00 C ATOM 41 C ALA A 8 -7.962 -3.953 14.451 1.00 0.00 C ATOM 42 O ALA A 8 -7.208 -4.906 14.434 1.00 0.00 O ATOM 43 CB ALA A 8 -9.465 -3.696 12.459 1.00 0.00 C ATOM 0 H ALA A 8 -10.938 -2.594 14.022 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.718 -5.096 14.113 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.846 -4.383 11.881 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.497 -3.760 12.115 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.100 -2.678 12.324 1.00 0.00 H new ATOM 49 N VAL A 9 -7.580 -2.795 14.913 1.00 0.00 N ATOM 50 CA VAL A 9 -6.193 -2.626 15.435 1.00 0.00 C ATOM 51 C VAL A 9 -6.226 -2.449 16.955 1.00 0.00 C ATOM 52 O VAL A 9 -6.899 -1.580 17.473 1.00 0.00 O ATOM 53 CB VAL A 9 -5.659 -1.365 14.756 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.305 -0.992 15.364 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.490 -1.626 13.256 1.00 0.00 C ATOM 0 H VAL A 9 -8.165 -1.960 14.952 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.563 -3.491 15.227 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.363 -0.546 14.906 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.924 -0.093 14.880 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.424 -0.807 16.431 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.601 -1.811 15.214 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.109 -0.727 12.771 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.786 -2.445 13.106 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.454 -1.892 12.822 1.00 0.00 H new ATOM 65 N LYS A 10 -5.509 -3.269 17.672 1.00 0.00 N ATOM 66 CA LYS A 10 -5.502 -3.154 19.158 1.00 0.00 C ATOM 67 C LYS A 10 -4.453 -2.136 19.608 1.00 0.00 C ATOM 68 O LYS A 10 -3.690 -1.636 18.806 1.00 0.00 O ATOM 69 CB LYS A 10 -5.131 -4.553 19.652 1.00 0.00 C ATOM 70 CG LYS A 10 -6.402 -5.324 20.014 1.00 0.00 C ATOM 71 CD LYS A 10 -6.391 -6.680 19.304 1.00 0.00 C ATOM 72 CE LYS A 10 -6.063 -7.783 20.312 1.00 0.00 C ATOM 73 NZ LYS A 10 -7.047 -7.602 21.415 1.00 0.00 N ATOM 0 H LYS A 10 -4.926 -4.015 17.293 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.460 -2.815 19.552 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.577 -5.087 18.880 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.477 -4.481 20.521 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.460 -5.466 21.093 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.283 -4.754 19.720 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.361 -6.870 18.845 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.654 -6.676 18.501 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.154 -8.771 19.860 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.040 -7.693 20.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.377 -8.532 21.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.595 -7.098 22.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.857 -7.048 21.070 1.00 0.00 H new ATOM 87 N PRO A 11 -4.443 -1.874 20.886 1.00 0.00 N ATOM 88 CA PRO A 11 -3.465 -0.916 21.458 1.00 0.00 C ATOM 89 C PRO A 11 -2.050 -1.479 21.324 1.00 0.00 C ATOM 90 O PRO A 11 -1.104 -0.758 21.077 1.00 0.00 O ATOM 91 CB PRO A 11 -3.888 -0.803 22.922 1.00 0.00 C ATOM 92 CG PRO A 11 -4.628 -2.072 23.198 1.00 0.00 C ATOM 93 CD PRO A 11 -5.323 -2.438 21.915 1.00 0.00 C ATOM 0 HA PRO A 11 -3.454 0.053 20.958 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.024 -0.697 23.578 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.521 0.069 23.086 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.944 -2.862 23.510 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.347 -1.936 24.006 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.428 -3.518 21.808 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.326 -2.013 21.865 1.00 0.00 H new ATOM 101 N GLU A 12 -1.903 -2.766 21.465 1.00 0.00 N ATOM 102 CA GLU A 12 -0.554 -3.377 21.326 1.00 0.00 C ATOM 103 C GLU A 12 -0.143 -3.362 19.852 1.00 0.00 C ATOM 104 O GLU A 12 1.025 -3.369 19.518 1.00 0.00 O ATOM 105 CB GLU A 12 -0.713 -4.810 21.837 1.00 0.00 C ATOM 106 CG GLU A 12 -1.431 -5.659 20.785 1.00 0.00 C ATOM 107 CD GLU A 12 -1.514 -7.110 21.265 1.00 0.00 C ATOM 108 OE1 GLU A 12 -1.063 -7.375 22.368 1.00 0.00 O ATOM 109 OE2 GLU A 12 -2.027 -7.929 20.522 1.00 0.00 O ATOM 0 H GLU A 12 -2.658 -3.420 21.670 1.00 0.00 H new ATOM 0 HA GLU A 12 0.216 -2.842 21.882 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.265 -5.238 22.057 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.279 -4.813 22.768 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.432 -5.266 20.608 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.896 -5.609 19.836 1.00 0.00 H new ATOM 116 N ASP A 13 -1.105 -3.320 18.968 1.00 0.00 N ATOM 117 CA ASP A 13 -0.786 -3.280 17.515 1.00 0.00 C ATOM 118 C ASP A 13 -0.480 -1.841 17.121 1.00 0.00 C ATOM 119 O ASP A 13 0.451 -1.564 16.391 1.00 0.00 O ATOM 120 CB ASP A 13 -2.050 -3.776 16.811 1.00 0.00 C ATOM 121 CG ASP A 13 -1.991 -5.298 16.665 1.00 0.00 C ATOM 122 OD1 ASP A 13 -1.010 -5.785 16.128 1.00 0.00 O ATOM 123 OD2 ASP A 13 -2.929 -5.951 17.093 1.00 0.00 O ATOM 0 H ASP A 13 -2.100 -3.312 19.193 1.00 0.00 H new ATOM 0 HA ASP A 13 0.077 -3.890 17.250 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.933 -3.489 17.382 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.139 -3.309 15.830 1.00 0.00 H new ATOM 128 N LYS A 14 -1.252 -0.919 17.621 1.00 0.00 N ATOM 129 CA LYS A 14 -1.000 0.509 17.301 1.00 0.00 C ATOM 130 C LYS A 14 0.255 0.974 18.038 1.00 0.00 C ATOM 131 O LYS A 14 0.843 1.986 17.716 1.00 0.00 O ATOM 132 CB LYS A 14 -2.232 1.261 17.803 1.00 0.00 C ATOM 133 CG LYS A 14 -2.352 2.592 17.058 1.00 0.00 C ATOM 134 CD LYS A 14 -2.112 3.749 18.031 1.00 0.00 C ATOM 135 CE LYS A 14 -3.342 4.660 18.054 1.00 0.00 C ATOM 136 NZ LYS A 14 -2.801 6.047 18.141 1.00 0.00 N ATOM 0 H LYS A 14 -2.046 -1.094 18.237 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.840 0.680 16.237 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.128 0.661 17.645 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.152 1.438 18.876 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.628 2.632 16.245 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.341 2.681 16.609 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.914 3.362 19.031 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.232 4.316 17.728 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.946 4.529 17.156 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.984 4.434 18.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.552 6.728 17.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.459 6.226 19.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.014 6.156 17.469 1.00 0.00 H new ATOM 150 N ALA A 15 0.676 0.218 19.012 1.00 0.00 N ATOM 151 CA ALA A 15 1.908 0.585 19.766 1.00 0.00 C ATOM 152 C ALA A 15 3.105 0.370 18.850 1.00 0.00 C ATOM 153 O ALA A 15 4.076 1.100 18.881 1.00 0.00 O ATOM 154 CB ALA A 15 1.954 -0.373 20.957 1.00 0.00 C ATOM 0 H ALA A 15 0.220 -0.641 19.320 1.00 0.00 H new ATOM 0 HA ALA A 15 1.919 1.622 20.102 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.837 -0.162 21.560 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.059 -0.240 21.565 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.998 -1.401 20.596 1.00 0.00 H new ATOM 160 N LYS A 16 3.011 -0.613 18.003 1.00 0.00 N ATOM 161 CA LYS A 16 4.103 -0.878 17.034 1.00 0.00 C ATOM 162 C LYS A 16 3.900 0.067 15.872 1.00 0.00 C ATOM 163 O LYS A 16 4.814 0.716 15.405 1.00 0.00 O ATOM 164 CB LYS A 16 3.913 -2.328 16.608 1.00 0.00 C ATOM 165 CG LYS A 16 3.699 -3.171 17.858 1.00 0.00 C ATOM 166 CD LYS A 16 3.463 -4.631 17.467 1.00 0.00 C ATOM 167 CE LYS A 16 4.515 -5.066 16.444 1.00 0.00 C ATOM 168 NZ LYS A 16 4.314 -6.533 16.285 1.00 0.00 N ATOM 0 H LYS A 16 2.216 -1.249 17.941 1.00 0.00 H new ATOM 0 HA LYS A 16 5.106 -0.729 17.433 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.057 -2.418 15.939 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.786 -2.679 16.058 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.569 -3.096 18.511 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.845 -2.793 18.420 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.515 -5.267 18.350 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.464 -4.749 17.048 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.383 -4.544 15.496 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.523 -4.841 16.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.000 -6.905 15.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.453 -7.004 17.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.349 -6.716 15.944 1.00 0.00 H new ATOM 182 N TYR A 17 2.678 0.191 15.441 1.00 0.00 N ATOM 183 CA TYR A 17 2.385 1.146 14.354 1.00 0.00 C ATOM 184 C TYR A 17 2.751 2.533 14.865 1.00 0.00 C ATOM 185 O TYR A 17 2.917 3.469 14.110 1.00 0.00 O ATOM 186 CB TYR A 17 0.875 1.067 14.118 1.00 0.00 C ATOM 187 CG TYR A 17 0.433 -0.359 13.862 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.372 -1.389 13.720 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.935 -0.642 13.751 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.941 -2.699 13.473 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.366 -1.950 13.500 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.427 -2.978 13.361 1.00 0.00 C ATOM 193 OH TYR A 17 -0.849 -4.269 13.113 1.00 0.00 O ATOM 0 H TYR A 17 1.875 -0.328 15.797 1.00 0.00 H new ATOM 0 HA TYR A 17 2.933 0.934 13.436 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.348 1.463 14.986 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.604 1.692 13.267 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.427 -1.173 13.801 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.659 0.152 13.859 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.664 -3.494 13.369 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.421 -2.165 13.414 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.639 -4.466 13.659 1.00 0.00 H new ATOM 203 N ASP A 18 2.873 2.661 16.166 1.00 0.00 N ATOM 204 CA ASP A 18 3.225 3.979 16.761 1.00 0.00 C ATOM 205 C ASP A 18 4.745 4.139 16.803 1.00 0.00 C ATOM 206 O ASP A 18 5.259 5.234 16.906 1.00 0.00 O ATOM 207 CB ASP A 18 2.636 3.943 18.173 1.00 0.00 C ATOM 208 CG ASP A 18 3.303 5.013 19.040 1.00 0.00 C ATOM 209 OD1 ASP A 18 3.318 6.160 18.624 1.00 0.00 O ATOM 210 OD2 ASP A 18 3.787 4.668 20.105 1.00 0.00 O ATOM 0 H ASP A 18 2.743 1.905 16.838 1.00 0.00 H new ATOM 0 HA ASP A 18 2.836 4.819 16.186 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.560 4.113 18.133 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.787 2.958 18.615 1.00 0.00 H new ATOM 215 N ALA A 19 5.469 3.059 16.690 1.00 0.00 N ATOM 216 CA ALA A 19 6.953 3.169 16.686 1.00 0.00 C ATOM 217 C ALA A 19 7.384 3.324 15.240 1.00 0.00 C ATOM 218 O ALA A 19 8.355 3.980 14.919 1.00 0.00 O ATOM 219 CB ALA A 19 7.471 1.856 17.267 1.00 0.00 C ATOM 0 H ALA A 19 5.100 2.112 16.601 1.00 0.00 H new ATOM 0 HA ALA A 19 7.332 4.012 17.264 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.561 1.874 17.291 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.087 1.730 18.279 1.00 0.00 H new ATOM 0 HB3 ALA A 19 7.135 1.026 16.646 1.00 0.00 H new ATOM 225 N ILE A 20 6.621 2.741 14.365 1.00 0.00 N ATOM 226 CA ILE A 20 6.902 2.850 12.921 1.00 0.00 C ATOM 227 C ILE A 20 6.385 4.204 12.448 1.00 0.00 C ATOM 228 O ILE A 20 6.946 4.835 11.575 1.00 0.00 O ATOM 229 CB ILE A 20 6.100 1.706 12.311 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.826 0.381 12.550 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.935 1.935 10.817 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.825 -0.772 12.436 1.00 0.00 C ATOM 0 H ILE A 20 5.799 2.184 14.599 1.00 0.00 H new ATOM 0 HA ILE A 20 7.957 2.786 12.653 1.00 0.00 H new ATOM 0 HB ILE A 20 5.117 1.668 12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.627 0.256 11.822 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.289 0.380 13.537 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.361 1.115 10.384 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.409 2.875 10.649 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.917 1.979 10.345 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.339 -1.718 12.606 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.039 -0.647 13.181 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.383 -0.773 11.440 1.00 0.00 H new ATOM 244 N PHE A 21 5.324 4.661 13.056 1.00 0.00 N ATOM 245 CA PHE A 21 4.763 5.985 12.691 1.00 0.00 C ATOM 246 C PHE A 21 5.739 7.066 13.159 1.00 0.00 C ATOM 247 O PHE A 21 5.999 8.034 12.471 1.00 0.00 O ATOM 248 CB PHE A 21 3.431 6.061 13.455 1.00 0.00 C ATOM 249 CG PHE A 21 3.131 7.490 13.850 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.770 8.051 14.961 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.219 8.249 13.108 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.498 9.371 15.332 1.00 0.00 C ATOM 253 CE2 PHE A 21 1.945 9.570 13.479 1.00 0.00 C ATOM 254 CZ PHE A 21 2.585 10.132 14.591 1.00 0.00 C ATOM 0 H PHE A 21 4.821 4.168 13.794 1.00 0.00 H new ATOM 0 HA PHE A 21 4.610 6.124 11.621 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.625 5.672 12.833 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.478 5.433 14.345 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.474 7.464 15.532 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.727 7.816 12.250 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.992 9.804 16.190 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.240 10.156 12.908 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.375 11.152 14.877 1.00 0.00 H new ATOM 264 N ASP A 22 6.280 6.891 14.330 1.00 0.00 N ATOM 265 CA ASP A 22 7.248 7.883 14.872 1.00 0.00 C ATOM 266 C ASP A 22 8.661 7.550 14.385 1.00 0.00 C ATOM 267 O ASP A 22 9.619 8.217 14.722 1.00 0.00 O ATOM 268 CB ASP A 22 7.141 7.747 16.391 1.00 0.00 C ATOM 269 CG ASP A 22 8.237 8.579 17.060 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.120 9.794 17.051 1.00 0.00 O ATOM 271 OD2 ASP A 22 9.172 7.988 17.573 1.00 0.00 O ATOM 0 H ASP A 22 6.092 6.096 14.941 1.00 0.00 H new ATOM 0 HA ASP A 22 7.036 8.901 14.546 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.160 8.082 16.728 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.237 6.700 16.680 1.00 0.00 H new ATOM 276 N SER A 23 8.793 6.537 13.567 1.00 0.00 N ATOM 277 CA SER A 23 10.135 6.179 13.029 1.00 0.00 C ATOM 278 C SER A 23 10.322 6.881 11.684 1.00 0.00 C ATOM 279 O SER A 23 11.342 6.762 11.035 1.00 0.00 O ATOM 280 CB SER A 23 10.108 4.663 12.851 1.00 0.00 C ATOM 281 OG SER A 23 10.523 4.043 14.060 1.00 0.00 O ATOM 0 H SER A 23 8.027 5.943 13.250 1.00 0.00 H new ATOM 0 HA SER A 23 10.954 6.481 13.682 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.103 4.334 12.586 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.766 4.369 12.033 1.00 0.00 H new ATOM 0 HG SER A 23 9.760 3.587 14.473 1.00 0.00 H new ATOM 287 N LEU A 24 9.330 7.623 11.281 1.00 0.00 N ATOM 288 CA LEU A 24 9.398 8.366 9.994 1.00 0.00 C ATOM 289 C LEU A 24 9.412 9.867 10.291 1.00 0.00 C ATOM 290 O LEU A 24 9.452 10.689 9.397 1.00 0.00 O ATOM 291 CB LEU A 24 8.117 8.002 9.218 1.00 0.00 C ATOM 292 CG LEU A 24 7.452 6.746 9.791 1.00 0.00 C ATOM 293 CD1 LEU A 24 6.097 6.530 9.113 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.346 5.537 9.531 1.00 0.00 C ATOM 0 H LEU A 24 8.460 7.748 11.799 1.00 0.00 H new ATOM 0 HA LEU A 24 10.291 8.114 9.422 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.417 8.836 9.258 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.360 7.840 8.168 1.00 0.00 H new ATOM 0 HG LEU A 24 7.306 6.870 10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.624 5.636 9.521 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.457 7.394 9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.243 6.406 8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.875 4.642 9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.490 5.415 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.312 5.689 10.012 1.00 0.00 H new ATOM 306 N SER A 25 9.352 10.222 11.550 1.00 0.00 N ATOM 307 CA SER A 25 9.333 11.664 11.940 1.00 0.00 C ATOM 308 C SER A 25 7.935 12.230 11.696 1.00 0.00 C ATOM 309 O SER A 25 7.623 12.715 10.627 1.00 0.00 O ATOM 310 CB SER A 25 10.395 12.357 11.076 1.00 0.00 C ATOM 311 OG SER A 25 9.784 12.948 9.936 1.00 0.00 O ATOM 0 H SER A 25 9.315 9.567 12.331 1.00 0.00 H new ATOM 0 HA SER A 25 9.558 11.818 12.995 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.909 13.120 11.660 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.148 11.635 10.762 1.00 0.00 H new ATOM 0 HG SER A 25 8.993 13.455 10.215 1.00 0.00 H new ATOM 317 N PRO A 26 7.128 12.124 12.714 1.00 0.00 N ATOM 318 CA PRO A 26 5.730 12.602 12.640 1.00 0.00 C ATOM 319 C PRO A 26 5.688 14.124 12.692 1.00 0.00 C ATOM 320 O PRO A 26 6.493 14.761 13.344 1.00 0.00 O ATOM 321 CB PRO A 26 5.081 12.009 13.885 1.00 0.00 C ATOM 322 CG PRO A 26 6.208 11.808 14.843 1.00 0.00 C ATOM 323 CD PRO A 26 7.447 11.551 14.023 1.00 0.00 C ATOM 0 HA PRO A 26 5.227 12.309 11.718 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.327 12.680 14.296 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.580 11.067 13.660 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.339 12.687 15.473 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.004 10.968 15.507 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.324 12.026 14.464 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.664 10.485 13.950 1.00 0.00 H new ATOM 331 N VAL A 27 4.746 14.707 12.020 1.00 0.00 N ATOM 332 CA VAL A 27 4.627 16.188 12.031 1.00 0.00 C ATOM 333 C VAL A 27 3.322 16.578 12.719 1.00 0.00 C ATOM 334 O VAL A 27 2.253 16.454 12.154 1.00 0.00 O ATOM 335 CB VAL A 27 4.606 16.594 10.560 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.392 18.105 10.451 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.941 16.214 9.913 1.00 0.00 C ATOM 0 H VAL A 27 4.047 14.221 11.459 1.00 0.00 H new ATOM 0 HA VAL A 27 5.440 16.678 12.567 1.00 0.00 H new ATOM 0 HB VAL A 27 3.794 16.078 10.048 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.377 18.396 9.401 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.443 18.372 10.915 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.204 18.625 10.960 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.931 16.502 8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.753 16.732 10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.091 15.137 9.993 1.00 0.00 H new ATOM 347 N ASN A 28 3.392 17.030 13.941 1.00 0.00 N ATOM 348 CA ASN A 28 2.142 17.399 14.656 1.00 0.00 C ATOM 349 C ASN A 28 1.263 16.155 14.793 1.00 0.00 C ATOM 350 O ASN A 28 0.064 16.239 14.968 1.00 0.00 O ATOM 351 CB ASN A 28 1.475 18.448 13.763 1.00 0.00 C ATOM 352 CG ASN A 28 0.396 19.186 14.556 1.00 0.00 C ATOM 353 OD1 ASN A 28 0.530 20.360 14.843 1.00 0.00 O ATOM 354 ND2 ASN A 28 -0.677 18.544 14.927 1.00 0.00 N ATOM 0 H ASN A 28 4.254 17.158 14.470 1.00 0.00 H new ATOM 0 HA ASN A 28 2.317 17.786 15.660 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.219 19.155 13.397 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.034 17.969 12.889 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.402 19.027 15.457 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.791 17.559 14.687 1.00 0.00 H new ATOM 361 N GLY A 29 1.858 14.994 14.702 1.00 0.00 N ATOM 362 CA GLY A 29 1.069 13.736 14.812 1.00 0.00 C ATOM 363 C GLY A 29 0.636 13.299 13.412 1.00 0.00 C ATOM 364 O GLY A 29 -0.427 12.742 13.224 1.00 0.00 O ATOM 0 H GLY A 29 2.859 14.865 14.556 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.667 12.956 15.282 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.196 13.893 15.445 1.00 0.00 H new ATOM 368 N PHE A 30 1.449 13.563 12.423 1.00 0.00 N ATOM 369 CA PHE A 30 1.074 13.179 11.032 1.00 0.00 C ATOM 370 C PHE A 30 2.282 12.702 10.237 1.00 0.00 C ATOM 371 O PHE A 30 3.412 13.051 10.516 1.00 0.00 O ATOM 372 CB PHE A 30 0.531 14.461 10.412 1.00 0.00 C ATOM 373 CG PHE A 30 -0.667 14.901 11.198 1.00 0.00 C ATOM 374 CD1 PHE A 30 -1.728 14.015 11.374 1.00 0.00 C ATOM 375 CD2 PHE A 30 -0.715 16.181 11.753 1.00 0.00 C ATOM 376 CE1 PHE A 30 -2.851 14.409 12.109 1.00 0.00 C ATOM 377 CE2 PHE A 30 -1.836 16.579 12.488 1.00 0.00 C ATOM 378 CZ PHE A 30 -2.906 15.692 12.666 1.00 0.00 C ATOM 0 H PHE A 30 2.353 14.026 12.518 1.00 0.00 H new ATOM 0 HA PHE A 30 0.356 12.359 11.028 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.295 15.238 10.420 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.259 14.292 9.370 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.683 13.026 10.944 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.112 16.862 11.615 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.675 13.724 12.247 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.877 17.569 12.918 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.773 15.998 13.233 1.00 0.00 H new ATOM 388 N LEU A 31 2.034 11.929 9.220 1.00 0.00 N ATOM 389 CA LEU A 31 3.142 11.442 8.353 1.00 0.00 C ATOM 390 C LEU A 31 2.744 11.633 6.893 1.00 0.00 C ATOM 391 O LEU A 31 1.644 11.307 6.491 1.00 0.00 O ATOM 392 CB LEU A 31 3.319 9.960 8.678 1.00 0.00 C ATOM 393 CG LEU A 31 3.936 9.815 10.068 1.00 0.00 C ATOM 394 CD1 LEU A 31 3.673 8.405 10.597 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.447 10.056 9.983 1.00 0.00 C ATOM 0 H LEU A 31 1.104 11.610 8.949 1.00 0.00 H new ATOM 0 HA LEU A 31 4.072 11.984 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.356 9.451 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.959 9.487 7.933 1.00 0.00 H new ATOM 0 HG LEU A 31 3.489 10.545 10.743 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.113 8.301 11.589 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.598 8.233 10.657 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.120 7.674 9.923 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.888 9.953 10.974 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.895 9.326 9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.634 11.061 9.605 1.00 0.00 H new ATOM 407 N SER A 32 3.617 12.178 6.103 1.00 0.00 N ATOM 408 CA SER A 32 3.274 12.412 4.674 1.00 0.00 C ATOM 409 C SER A 32 3.523 11.170 3.839 1.00 0.00 C ATOM 410 O SER A 32 4.408 10.383 4.110 1.00 0.00 O ATOM 411 CB SER A 32 4.187 13.535 4.213 1.00 0.00 C ATOM 412 OG SER A 32 3.407 14.566 3.621 1.00 0.00 O ATOM 0 H SER A 32 4.553 12.473 6.381 1.00 0.00 H new ATOM 0 HA SER A 32 2.219 12.663 4.561 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.751 13.930 5.058 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.914 13.156 3.495 1.00 0.00 H new ATOM 0 HG SER A 32 3.919 15.402 3.616 1.00 0.00 H new ATOM 418 N GLY A 33 2.754 11.006 2.808 1.00 0.00 N ATOM 419 CA GLY A 33 2.946 9.828 1.925 1.00 0.00 C ATOM 420 C GLY A 33 4.422 9.748 1.536 1.00 0.00 C ATOM 421 O GLY A 33 4.920 8.705 1.171 1.00 0.00 O ATOM 0 H GLY A 33 1.999 11.636 2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.640 8.916 2.438 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.324 9.917 1.034 1.00 0.00 H new ATOM 425 N ASP A 34 5.131 10.843 1.616 1.00 0.00 N ATOM 426 CA ASP A 34 6.578 10.815 1.252 1.00 0.00 C ATOM 427 C ASP A 34 7.377 10.071 2.325 1.00 0.00 C ATOM 428 O ASP A 34 8.548 9.792 2.162 1.00 0.00 O ATOM 429 CB ASP A 34 6.999 12.281 1.190 1.00 0.00 C ATOM 430 CG ASP A 34 8.460 12.375 0.743 1.00 0.00 C ATOM 431 OD1 ASP A 34 8.716 12.162 -0.431 1.00 0.00 O ATOM 432 OD2 ASP A 34 9.298 12.659 1.584 1.00 0.00 O ATOM 0 H ASP A 34 4.774 11.750 1.916 1.00 0.00 H new ATOM 0 HA ASP A 34 6.757 10.300 0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.359 12.825 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.876 12.747 2.168 1.00 0.00 H new ATOM 437 N LYS A 35 6.748 9.749 3.422 1.00 0.00 N ATOM 438 CA LYS A 35 7.458 9.020 4.516 1.00 0.00 C ATOM 439 C LYS A 35 6.852 7.635 4.667 1.00 0.00 C ATOM 440 O LYS A 35 7.539 6.649 4.841 1.00 0.00 O ATOM 441 CB LYS A 35 7.212 9.843 5.782 1.00 0.00 C ATOM 442 CG LYS A 35 7.145 11.327 5.427 1.00 0.00 C ATOM 443 CD LYS A 35 6.917 12.147 6.697 1.00 0.00 C ATOM 444 CE LYS A 35 8.139 12.024 7.607 1.00 0.00 C ATOM 445 NZ LYS A 35 8.983 13.208 7.282 1.00 0.00 N ATOM 0 H LYS A 35 5.768 9.960 3.610 1.00 0.00 H new ATOM 0 HA LYS A 35 8.523 8.902 4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.281 9.530 6.255 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.011 9.667 6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.071 11.638 4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.338 11.506 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.744 13.192 6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.026 11.794 7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.850 12.022 8.658 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.676 11.094 7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.522 13.492 8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.642 12.965 6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.375 13.995 6.979 1.00 0.00 H new ATOM 459 N VAL A 36 5.558 7.566 4.603 1.00 0.00 N ATOM 460 CA VAL A 36 4.870 6.256 4.739 1.00 0.00 C ATOM 461 C VAL A 36 4.905 5.492 3.415 1.00 0.00 C ATOM 462 O VAL A 36 5.221 4.322 3.376 1.00 0.00 O ATOM 463 CB VAL A 36 3.436 6.611 5.096 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.641 5.330 5.344 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.429 7.483 6.352 1.00 0.00 C ATOM 0 H VAL A 36 4.941 8.366 4.461 1.00 0.00 H new ATOM 0 HA VAL A 36 5.343 5.619 5.486 1.00 0.00 H new ATOM 0 HB VAL A 36 2.977 7.161 4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.612 5.584 5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.650 4.716 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.093 4.775 6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.402 7.740 6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.886 6.936 7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.995 8.396 6.164 1.00 0.00 H new ATOM 475 N LYS A 37 4.576 6.142 2.329 1.00 0.00 N ATOM 476 CA LYS A 37 4.587 5.429 1.019 1.00 0.00 C ATOM 477 C LYS A 37 5.838 4.554 0.894 1.00 0.00 C ATOM 478 O LYS A 37 5.738 3.394 0.548 1.00 0.00 O ATOM 479 CB LYS A 37 4.570 6.514 -0.059 1.00 0.00 C ATOM 480 CG LYS A 37 4.295 5.870 -1.422 1.00 0.00 C ATOM 481 CD LYS A 37 4.719 6.827 -2.538 1.00 0.00 C ATOM 482 CE LYS A 37 5.656 6.100 -3.507 1.00 0.00 C ATOM 483 NZ LYS A 37 4.779 5.638 -4.618 1.00 0.00 N ATOM 0 H LYS A 37 4.303 7.124 2.292 1.00 0.00 H new ATOM 0 HA LYS A 37 3.728 4.766 0.920 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.803 7.255 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.525 7.039 -0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.841 4.931 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.235 5.633 -1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.841 7.193 -3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.221 7.697 -2.114 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.439 6.765 -3.872 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.152 5.260 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.350 5.130 -5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.048 5.002 -4.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.325 6.459 -5.067 1.00 0.00 H new ATOM 497 N PRO A 38 6.984 5.122 1.192 1.00 0.00 N ATOM 498 CA PRO A 38 8.239 4.336 1.117 1.00 0.00 C ATOM 499 C PRO A 38 8.231 3.274 2.213 1.00 0.00 C ATOM 500 O PRO A 38 8.695 2.169 2.027 1.00 0.00 O ATOM 501 CB PRO A 38 9.335 5.377 1.341 1.00 0.00 C ATOM 502 CG PRO A 38 8.666 6.484 2.086 1.00 0.00 C ATOM 503 CD PRO A 38 7.233 6.508 1.625 1.00 0.00 C ATOM 0 HA PRO A 38 8.377 3.805 0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.164 4.961 1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.745 5.729 0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.724 6.318 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.154 7.437 1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.559 6.804 2.428 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.086 7.215 0.809 1.00 0.00 H new ATOM 511 N VAL A 39 7.676 3.605 3.345 1.00 0.00 N ATOM 512 CA VAL A 39 7.594 2.632 4.470 1.00 0.00 C ATOM 513 C VAL A 39 6.711 1.453 4.059 1.00 0.00 C ATOM 514 O VAL A 39 6.914 0.332 4.483 1.00 0.00 O ATOM 515 CB VAL A 39 6.958 3.432 5.614 1.00 0.00 C ATOM 516 CG1 VAL A 39 6.169 2.509 6.549 1.00 0.00 C ATOM 517 CG2 VAL A 39 8.056 4.140 6.410 1.00 0.00 C ATOM 0 H VAL A 39 7.270 4.520 3.541 1.00 0.00 H new ATOM 0 HA VAL A 39 8.560 2.216 4.757 1.00 0.00 H new ATOM 0 HB VAL A 39 6.273 4.165 5.187 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.727 3.097 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.379 2.011 5.987 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.839 1.761 6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.606 4.709 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.742 3.400 6.821 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.603 4.816 5.753 1.00 0.00 H new ATOM 527 N LEU A 40 5.742 1.694 3.224 1.00 0.00 N ATOM 528 CA LEU A 40 4.862 0.584 2.775 1.00 0.00 C ATOM 529 C LEU A 40 5.575 -0.204 1.681 1.00 0.00 C ATOM 530 O LEU A 40 5.224 -1.326 1.374 1.00 0.00 O ATOM 531 CB LEU A 40 3.607 1.259 2.229 1.00 0.00 C ATOM 532 CG LEU A 40 2.994 2.145 3.314 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.588 2.573 2.893 1.00 0.00 C ATOM 534 CD2 LEU A 40 2.925 1.363 4.628 1.00 0.00 C ATOM 0 H LEU A 40 5.522 2.610 2.834 1.00 0.00 H new ATOM 0 HA LEU A 40 4.616 -0.113 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.855 1.857 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.886 0.507 1.908 1.00 0.00 H new ATOM 0 HG LEU A 40 3.611 3.032 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.153 3.204 3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.642 3.131 1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.965 1.689 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.488 1.992 5.403 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.308 0.475 4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.930 1.064 4.927 1.00 0.00 H new ATOM 546 N LEU A 41 6.590 0.375 1.104 1.00 0.00 N ATOM 547 CA LEU A 41 7.345 -0.335 0.045 1.00 0.00 C ATOM 548 C LEU A 41 8.249 -1.376 0.693 1.00 0.00 C ATOM 549 O LEU A 41 8.616 -2.361 0.085 1.00 0.00 O ATOM 550 CB LEU A 41 8.172 0.743 -0.651 1.00 0.00 C ATOM 551 CG LEU A 41 7.255 1.619 -1.503 1.00 0.00 C ATOM 552 CD1 LEU A 41 8.044 2.824 -2.014 1.00 0.00 C ATOM 553 CD2 LEU A 41 6.736 0.806 -2.691 1.00 0.00 C ATOM 0 H LEU A 41 6.927 1.312 1.323 1.00 0.00 H new ATOM 0 HA LEU A 41 6.698 -0.854 -0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.690 1.353 0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.937 0.282 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 41 6.412 1.962 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.394 3.453 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.417 3.400 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.884 2.480 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.081 1.429 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.578 0.465 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.179 -0.057 -2.326 1.00 0.00 H new ATOM 565 N ASN A 42 8.606 -1.169 1.933 1.00 0.00 N ATOM 566 CA ASN A 42 9.479 -2.163 2.613 1.00 0.00 C ATOM 567 C ASN A 42 8.705 -3.468 2.814 1.00 0.00 C ATOM 568 O ASN A 42 9.273 -4.508 3.078 1.00 0.00 O ATOM 569 CB ASN A 42 9.836 -1.540 3.963 1.00 0.00 C ATOM 570 CG ASN A 42 10.566 -0.218 3.744 1.00 0.00 C ATOM 571 OD1 ASN A 42 11.777 -0.181 3.655 1.00 0.00 O ATOM 572 ND2 ASN A 42 9.869 0.874 3.650 1.00 0.00 N ATOM 0 H ASN A 42 8.334 -0.364 2.497 1.00 0.00 H new ATOM 0 HA ASN A 42 10.373 -2.395 2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.931 -1.374 4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.465 -2.223 4.534 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.338 1.767 3.501 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.852 0.838 3.725 1.00 0.00 H new ATOM 579 N SER A 43 7.405 -3.412 2.686 1.00 0.00 N ATOM 580 CA SER A 43 6.577 -4.640 2.866 1.00 0.00 C ATOM 581 C SER A 43 6.756 -5.584 1.675 1.00 0.00 C ATOM 582 O SER A 43 6.165 -6.645 1.619 1.00 0.00 O ATOM 583 CB SER A 43 5.138 -4.134 2.929 1.00 0.00 C ATOM 584 OG SER A 43 5.129 -2.808 3.440 1.00 0.00 O ATOM 0 H SER A 43 6.880 -2.566 2.464 1.00 0.00 H new ATOM 0 HA SER A 43 6.859 -5.199 3.758 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.689 -4.157 1.936 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.539 -4.785 3.565 1.00 0.00 H new ATOM 0 HG SER A 43 4.772 -2.198 2.761 1.00 0.00 H new ATOM 590 N LYS A 44 7.558 -5.207 0.716 1.00 0.00 N ATOM 591 CA LYS A 44 7.757 -6.085 -0.472 1.00 0.00 C ATOM 592 C LYS A 44 6.423 -6.265 -1.198 1.00 0.00 C ATOM 593 O LYS A 44 6.241 -7.179 -1.977 1.00 0.00 O ATOM 594 CB LYS A 44 8.252 -7.415 0.095 1.00 0.00 C ATOM 595 CG LYS A 44 9.380 -7.958 -0.786 1.00 0.00 C ATOM 596 CD LYS A 44 9.544 -9.461 -0.546 1.00 0.00 C ATOM 597 CE LYS A 44 10.066 -10.127 -1.822 1.00 0.00 C ATOM 598 NZ LYS A 44 8.969 -11.036 -2.264 1.00 0.00 N ATOM 0 H LYS A 44 8.082 -4.332 0.704 1.00 0.00 H new ATOM 0 HA LYS A 44 8.464 -5.671 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.608 -7.277 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.432 -8.132 0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.157 -7.770 -1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.312 -7.440 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.236 -9.635 0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.589 -9.901 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.296 -9.386 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.984 -10.682 -1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.255 -11.528 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.776 -11.735 -1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.110 -10.480 -2.447 1.00 0.00 H new ATOM 612 N LEU A 45 5.492 -5.392 -0.940 1.00 0.00 N ATOM 613 CA LEU A 45 4.161 -5.486 -1.602 1.00 0.00 C ATOM 614 C LEU A 45 4.119 -4.571 -2.822 1.00 0.00 C ATOM 615 O LEU A 45 4.899 -3.646 -2.932 1.00 0.00 O ATOM 616 CB LEU A 45 3.170 -4.992 -0.550 1.00 0.00 C ATOM 617 CG LEU A 45 2.741 -6.151 0.346 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.829 -5.614 1.449 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.980 -7.189 -0.483 1.00 0.00 C ATOM 0 H LEU A 45 5.596 -4.610 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 45 3.938 -6.497 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.627 -4.206 0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.298 -4.555 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 45 3.621 -6.619 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.517 -6.435 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.369 -4.873 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.950 -5.151 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.675 -8.015 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.097 -6.726 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.626 -7.566 -1.276 1.00 0.00 H new ATOM 631 N PRO A 46 3.191 -4.846 -3.694 1.00 0.00 N ATOM 632 CA PRO A 46 3.033 -4.020 -4.902 1.00 0.00 C ATOM 633 C PRO A 46 2.392 -2.683 -4.525 1.00 0.00 C ATOM 634 O PRO A 46 1.805 -2.540 -3.472 1.00 0.00 O ATOM 635 CB PRO A 46 2.113 -4.849 -5.791 1.00 0.00 C ATOM 636 CG PRO A 46 1.356 -5.739 -4.860 1.00 0.00 C ATOM 637 CD PRO A 46 2.215 -5.939 -3.635 1.00 0.00 C ATOM 0 HA PRO A 46 3.973 -3.783 -5.399 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.437 -4.211 -6.360 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.685 -5.432 -6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.400 -5.290 -4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.136 -6.695 -5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.622 -5.894 -2.722 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.706 -6.912 -3.648 1.00 0.00 H new ATOM 645 N VAL A 47 2.504 -1.708 -5.374 1.00 0.00 N ATOM 646 CA VAL A 47 1.909 -0.377 -5.072 1.00 0.00 C ATOM 647 C VAL A 47 0.385 -0.493 -4.957 1.00 0.00 C ATOM 648 O VAL A 47 -0.286 0.429 -4.540 1.00 0.00 O ATOM 649 CB VAL A 47 2.307 0.504 -6.259 1.00 0.00 C ATOM 650 CG1 VAL A 47 1.343 1.687 -6.383 1.00 0.00 C ATOM 651 CG2 VAL A 47 3.728 1.028 -6.046 1.00 0.00 C ATOM 0 H VAL A 47 2.985 -1.773 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 47 2.260 0.036 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 47 2.264 -0.088 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.635 2.307 -7.230 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.330 1.316 -6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.377 2.281 -5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.015 1.656 -6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.766 1.614 -5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.418 0.188 -5.968 1.00 0.00 H new ATOM 661 N ASP A 48 -0.166 -1.625 -5.309 1.00 0.00 N ATOM 662 CA ASP A 48 -1.637 -1.795 -5.201 1.00 0.00 C ATOM 663 C ASP A 48 -1.994 -1.942 -3.734 1.00 0.00 C ATOM 664 O ASP A 48 -2.972 -1.402 -3.258 1.00 0.00 O ATOM 665 CB ASP A 48 -1.944 -3.076 -5.961 1.00 0.00 C ATOM 666 CG ASP A 48 -3.350 -2.997 -6.557 1.00 0.00 C ATOM 667 OD1 ASP A 48 -4.299 -3.087 -5.796 1.00 0.00 O ATOM 668 OD2 ASP A 48 -3.454 -2.850 -7.763 1.00 0.00 O ATOM 0 H ASP A 48 0.341 -2.435 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.202 -0.954 -5.603 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.210 -3.225 -6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.870 -3.934 -5.292 1.00 0.00 H new ATOM 673 N ILE A 49 -1.178 -2.647 -3.004 1.00 0.00 N ATOM 674 CA ILE A 49 -1.444 -2.798 -1.556 1.00 0.00 C ATOM 675 C ILE A 49 -1.185 -1.454 -0.900 1.00 0.00 C ATOM 676 O ILE A 49 -1.983 -0.942 -0.143 1.00 0.00 O ATOM 677 CB ILE A 49 -0.444 -3.829 -1.035 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.399 -5.038 -1.967 1.00 0.00 C ATOM 679 CG2 ILE A 49 -0.870 -4.278 0.360 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.805 -5.606 -2.148 1.00 0.00 C ATOM 0 H ILE A 49 -0.343 -3.122 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.466 -3.116 -1.347 1.00 0.00 H new ATOM 0 HB ILE A 49 0.548 -3.378 -0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.013 -4.748 -2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.261 -5.801 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.160 -5.014 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.891 -3.417 1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.864 -4.724 0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.766 -6.468 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.201 -5.913 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.453 -4.843 -2.580 1.00 0.00 H new ATOM 692 N LEU A 50 -0.069 -0.872 -1.222 1.00 0.00 N ATOM 693 CA LEU A 50 0.269 0.460 -0.660 1.00 0.00 C ATOM 694 C LEU A 50 -0.726 1.477 -1.203 1.00 0.00 C ATOM 695 O LEU A 50 -0.950 2.521 -0.621 1.00 0.00 O ATOM 696 CB LEU A 50 1.684 0.775 -1.158 1.00 0.00 C ATOM 697 CG LEU A 50 2.566 -0.477 -1.092 1.00 0.00 C ATOM 698 CD1 LEU A 50 4.033 -0.066 -1.186 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.323 -1.210 0.230 1.00 0.00 C ATOM 0 H LEU A 50 0.629 -1.264 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 50 0.226 0.484 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.642 1.144 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.122 1.568 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 50 2.318 -1.140 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.663 -0.954 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.206 0.453 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.279 0.597 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.951 -2.099 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.569 -0.551 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.275 -1.503 0.297 1.00 0.00 H new ATOM 711 N GLY A 51 -1.342 1.169 -2.314 1.00 0.00 N ATOM 712 CA GLY A 51 -2.339 2.109 -2.889 1.00 0.00 C ATOM 713 C GLY A 51 -3.685 1.833 -2.228 1.00 0.00 C ATOM 714 O GLY A 51 -4.517 2.709 -2.083 1.00 0.00 O ATOM 0 H GLY A 51 -1.196 0.310 -2.844 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.034 3.141 -2.715 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.410 1.975 -3.968 1.00 0.00 H new ATOM 718 N ARG A 52 -3.896 0.617 -1.806 1.00 0.00 N ATOM 719 CA ARG A 52 -5.174 0.273 -1.140 1.00 0.00 C ATOM 720 C ARG A 52 -4.999 0.361 0.370 1.00 0.00 C ATOM 721 O ARG A 52 -5.673 1.118 1.039 1.00 0.00 O ATOM 722 CB ARG A 52 -5.486 -1.159 -1.573 1.00 0.00 C ATOM 723 CG ARG A 52 -6.999 -1.306 -1.715 1.00 0.00 C ATOM 724 CD ARG A 52 -7.344 -2.678 -2.288 1.00 0.00 C ATOM 725 NE ARG A 52 -6.890 -2.634 -3.706 1.00 0.00 N ATOM 726 CZ ARG A 52 -7.675 -3.061 -4.659 1.00 0.00 C ATOM 727 NH1 ARG A 52 -7.903 -4.339 -4.794 1.00 0.00 N ATOM 728 NH2 ARG A 52 -8.231 -2.209 -5.477 1.00 0.00 N ATOM 0 H ARG A 52 -3.233 -0.153 -1.896 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.984 0.950 -1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.994 -1.384 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.104 -1.868 -0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.477 -1.179 -0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.388 -0.523 -2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.840 -3.473 -1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.414 -2.874 -2.223 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.965 -2.270 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.468 -5.005 -4.155 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.516 -4.672 -5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.052 -1.210 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.844 -2.542 -6.221 1.00 0.00 H new ATOM 742 N VAL A 53 -4.084 -0.389 0.914 1.00 0.00 N ATOM 743 CA VAL A 53 -3.864 -0.316 2.379 1.00 0.00 C ATOM 744 C VAL A 53 -3.794 1.148 2.792 1.00 0.00 C ATOM 745 O VAL A 53 -4.141 1.514 3.896 1.00 0.00 O ATOM 746 CB VAL A 53 -2.523 -1.002 2.629 1.00 0.00 C ATOM 747 CG1 VAL A 53 -2.048 -0.676 4.045 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.691 -2.514 2.485 1.00 0.00 C ATOM 0 H VAL A 53 -3.485 -1.043 0.411 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.662 -0.792 2.948 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.789 -0.648 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.091 -1.163 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.932 0.403 4.151 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.782 -1.034 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.734 -3.005 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.422 -2.870 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.037 -2.747 1.478 1.00 0.00 H new ATOM 758 N TRP A 54 -3.348 1.989 1.898 1.00 0.00 N ATOM 759 CA TRP A 54 -3.252 3.439 2.216 1.00 0.00 C ATOM 760 C TRP A 54 -4.643 4.067 2.221 1.00 0.00 C ATOM 761 O TRP A 54 -5.086 4.606 3.213 1.00 0.00 O ATOM 762 CB TRP A 54 -2.402 4.042 1.099 1.00 0.00 C ATOM 763 CG TRP A 54 -2.465 5.529 1.201 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.449 6.303 0.689 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.531 6.433 1.855 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.179 7.625 0.991 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.006 7.756 1.705 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.329 6.235 2.556 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.314 8.845 2.231 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.371 7.329 3.086 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.120 8.633 2.925 1.00 0.00 C ATOM 0 H TRP A 54 -3.046 1.731 0.959 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.814 3.615 3.199 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.370 3.701 1.183 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.768 3.714 0.126 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.305 5.947 0.135 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.774 8.407 0.719 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.058 5.235 2.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.698 9.846 2.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.294 7.166 3.622 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.423 9.471 3.336 1.00 0.00 H new ATOM 782 N GLU A 55 -5.337 4.002 1.121 1.00 0.00 N ATOM 783 CA GLU A 55 -6.704 4.596 1.074 1.00 0.00 C ATOM 784 C GLU A 55 -7.489 4.183 2.319 1.00 0.00 C ATOM 785 O GLU A 55 -8.177 4.981 2.924 1.00 0.00 O ATOM 786 CB GLU A 55 -7.353 4.025 -0.186 1.00 0.00 C ATOM 787 CG GLU A 55 -6.732 4.675 -1.424 1.00 0.00 C ATOM 788 CD GLU A 55 -7.614 5.835 -1.890 1.00 0.00 C ATOM 789 OE1 GLU A 55 -8.808 5.629 -2.022 1.00 0.00 O ATOM 790 OE2 GLU A 55 -7.078 6.910 -2.110 1.00 0.00 O ATOM 0 H GLU A 55 -5.020 3.566 0.255 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.681 5.686 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.213 2.945 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.428 4.207 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.730 5.036 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.630 3.939 -2.221 1.00 0.00 H new ATOM 797 N LEU A 56 -7.380 2.947 2.712 1.00 0.00 N ATOM 798 CA LEU A 56 -8.111 2.489 3.927 1.00 0.00 C ATOM 799 C LEU A 56 -7.350 2.943 5.176 1.00 0.00 C ATOM 800 O LEU A 56 -7.881 2.974 6.268 1.00 0.00 O ATOM 801 CB LEU A 56 -8.140 0.962 3.837 1.00 0.00 C ATOM 802 CG LEU A 56 -8.630 0.531 2.453 1.00 0.00 C ATOM 803 CD1 LEU A 56 -7.811 -0.672 1.990 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.112 0.144 2.529 1.00 0.00 C ATOM 0 H LEU A 56 -6.818 2.234 2.247 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.119 2.899 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.144 0.559 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.796 0.556 4.607 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.511 1.353 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.153 -0.987 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.758 -0.397 1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.937 -1.492 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.459 -0.163 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.237 -0.681 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.695 1.000 2.869 1.00 0.00 H new ATOM 816 N SER A 57 -6.103 3.302 5.011 1.00 0.00 N ATOM 817 CA SER A 57 -5.287 3.765 6.170 1.00 0.00 C ATOM 818 C SER A 57 -5.373 5.283 6.298 1.00 0.00 C ATOM 819 O SER A 57 -5.384 5.827 7.383 1.00 0.00 O ATOM 820 CB SER A 57 -3.856 3.357 5.835 1.00 0.00 C ATOM 821 OG SER A 57 -2.958 4.279 6.436 1.00 0.00 O ATOM 0 H SER A 57 -5.613 3.294 4.116 1.00 0.00 H new ATOM 0 HA SER A 57 -5.632 3.335 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.658 2.348 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.712 3.342 4.755 1.00 0.00 H new ATOM 0 HG SER A 57 -3.153 4.349 7.394 1.00 0.00 H new ATOM 827 N ASP A 58 -5.436 5.969 5.193 1.00 0.00 N ATOM 828 CA ASP A 58 -5.520 7.450 5.235 1.00 0.00 C ATOM 829 C ASP A 58 -6.946 7.863 5.560 1.00 0.00 C ATOM 830 O ASP A 58 -7.705 8.259 4.699 1.00 0.00 O ATOM 831 CB ASP A 58 -5.118 7.917 3.835 1.00 0.00 C ATOM 832 CG ASP A 58 -4.691 9.386 3.890 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.916 10.009 4.914 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.143 9.861 2.909 1.00 0.00 O ATOM 0 H ASP A 58 -5.433 5.563 4.257 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.875 7.889 5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.301 7.304 3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.954 7.796 3.146 1.00 0.00 H new ATOM 839 N ILE A 59 -7.314 7.755 6.802 1.00 0.00 N ATOM 840 CA ILE A 59 -8.694 8.123 7.205 1.00 0.00 C ATOM 841 C ILE A 59 -9.139 9.393 6.480 1.00 0.00 C ATOM 842 O ILE A 59 -10.302 9.574 6.184 1.00 0.00 O ATOM 843 CB ILE A 59 -8.603 8.366 8.708 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.281 7.048 9.416 1.00 0.00 C ATOM 845 CG2 ILE A 59 -9.935 8.914 9.218 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.415 6.050 9.181 1.00 0.00 C ATOM 0 H ILE A 59 -6.715 7.426 7.559 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.421 7.350 6.956 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.815 9.090 8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.342 6.642 9.041 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.150 7.220 10.484 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.870 9.088 10.292 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.160 9.853 8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -10.727 8.193 9.014 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.184 5.112 9.686 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.345 6.456 9.578 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.525 5.869 8.112 1.00 0.00 H new ATOM 858 N ASP A 60 -8.221 10.274 6.193 1.00 0.00 N ATOM 859 CA ASP A 60 -8.602 11.532 5.486 1.00 0.00 C ATOM 860 C ASP A 60 -8.370 11.393 3.978 1.00 0.00 C ATOM 861 O ASP A 60 -9.013 12.044 3.179 1.00 0.00 O ATOM 862 CB ASP A 60 -7.689 12.612 6.069 1.00 0.00 C ATOM 863 CG ASP A 60 -7.632 12.465 7.591 1.00 0.00 C ATOM 864 OD1 ASP A 60 -8.479 11.774 8.132 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.741 13.046 8.190 1.00 0.00 O ATOM 0 H ASP A 60 -7.230 10.180 6.415 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.657 11.771 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.688 12.524 5.647 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.061 13.601 5.802 1.00 0.00 H new ATOM 870 N HIS A 61 -7.448 10.556 3.580 1.00 0.00 N ATOM 871 CA HIS A 61 -7.175 10.392 2.122 1.00 0.00 C ATOM 872 C HIS A 61 -6.628 11.705 1.560 1.00 0.00 C ATOM 873 O HIS A 61 -7.049 12.174 0.521 1.00 0.00 O ATOM 874 CB HIS A 61 -8.530 10.064 1.479 1.00 0.00 C ATOM 875 CG HIS A 61 -9.304 9.111 2.350 1.00 0.00 C ATOM 876 ND1 HIS A 61 -8.940 7.782 2.501 1.00 0.00 N ATOM 877 CD2 HIS A 61 -10.436 9.277 3.110 1.00 0.00 C ATOM 878 CE1 HIS A 61 -9.837 7.207 3.322 1.00 0.00 C ATOM 879 NE2 HIS A 61 -10.771 8.074 3.721 1.00 0.00 N ATOM 0 H HIS A 61 -6.875 9.982 4.198 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.442 9.610 1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.102 10.980 1.333 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.376 9.624 0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.983 10.202 3.217 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -9.806 6.170 3.622 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -11.561 7.893 4.341 1.00 0.00 H new ATOM 887 N ASP A 62 -5.701 12.309 2.251 1.00 0.00 N ATOM 888 CA ASP A 62 -5.135 13.602 1.774 1.00 0.00 C ATOM 889 C ASP A 62 -3.657 13.440 1.407 1.00 0.00 C ATOM 890 O ASP A 62 -3.017 14.367 0.949 1.00 0.00 O ATOM 891 CB ASP A 62 -5.293 14.550 2.962 1.00 0.00 C ATOM 892 CG ASP A 62 -4.326 14.139 4.073 1.00 0.00 C ATOM 893 OD1 ASP A 62 -4.371 12.987 4.474 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.558 14.982 4.505 1.00 0.00 O ATOM 0 H ASP A 62 -5.310 11.962 3.127 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.637 13.970 0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.093 15.576 2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.319 14.522 3.329 1.00 0.00 H new ATOM 899 N GLY A 63 -3.110 12.273 1.605 1.00 0.00 N ATOM 900 CA GLY A 63 -1.673 12.059 1.267 1.00 0.00 C ATOM 901 C GLY A 63 -0.851 11.961 2.555 1.00 0.00 C ATOM 902 O GLY A 63 0.348 11.767 2.522 1.00 0.00 O ATOM 0 H GLY A 63 -3.594 11.459 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.559 11.147 0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.307 12.881 0.652 1.00 0.00 H new ATOM 906 N MET A 64 -1.486 12.091 3.687 1.00 0.00 N ATOM 907 CA MET A 64 -0.747 12.004 4.976 1.00 0.00 C ATOM 908 C MET A 64 -1.437 11.012 5.919 1.00 0.00 C ATOM 909 O MET A 64 -2.617 10.745 5.800 1.00 0.00 O ATOM 910 CB MET A 64 -0.796 13.417 5.548 1.00 0.00 C ATOM 911 CG MET A 64 0.572 14.059 5.375 1.00 0.00 C ATOM 912 SD MET A 64 0.568 15.744 6.023 1.00 0.00 S ATOM 913 CE MET A 64 2.356 15.867 6.279 1.00 0.00 C ATOM 0 H MET A 64 -2.489 12.254 3.774 1.00 0.00 H new ATOM 0 HA MET A 64 0.276 11.651 4.846 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.557 14.006 5.037 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.070 13.389 6.603 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.326 13.466 5.892 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.844 14.070 4.320 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.556 16.480 7.158 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.771 14.871 6.429 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.818 16.325 5.404 1.00 0.00 H new ATOM 923 N LEU A 65 -0.707 10.460 6.850 1.00 0.00 N ATOM 924 CA LEU A 65 -1.320 9.477 7.791 1.00 0.00 C ATOM 925 C LEU A 65 -1.149 9.930 9.246 1.00 0.00 C ATOM 926 O LEU A 65 -0.045 10.092 9.725 1.00 0.00 O ATOM 927 CB LEU A 65 -0.530 8.183 7.572 1.00 0.00 C ATOM 928 CG LEU A 65 -1.079 7.408 6.374 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.474 6.002 6.368 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.599 7.302 6.484 1.00 0.00 C ATOM 0 H LEU A 65 0.285 10.646 7.000 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.389 9.364 7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.522 8.417 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.583 7.563 8.467 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.819 7.929 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.861 5.443 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.611 6.073 6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.741 5.487 7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.988 6.749 5.629 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.862 6.780 7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.033 8.302 6.498 1.00 0.00 H new ATOM 942 N ASP A 66 -2.228 10.108 9.960 1.00 0.00 N ATOM 943 CA ASP A 66 -2.107 10.513 11.389 1.00 0.00 C ATOM 944 C ASP A 66 -1.798 9.272 12.233 1.00 0.00 C ATOM 945 O ASP A 66 -2.092 8.160 11.842 1.00 0.00 O ATOM 946 CB ASP A 66 -3.468 11.107 11.771 1.00 0.00 C ATOM 947 CG ASP A 66 -3.990 11.994 10.636 1.00 0.00 C ATOM 948 OD1 ASP A 66 -3.210 12.325 9.760 1.00 0.00 O ATOM 949 OD2 ASP A 66 -5.164 12.324 10.663 1.00 0.00 O ATOM 0 H ASP A 66 -3.182 9.991 9.618 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.308 11.236 11.555 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.179 10.306 11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.375 11.691 12.687 1.00 0.00 H new ATOM 954 N ARG A 67 -1.196 9.446 13.374 1.00 0.00 N ATOM 955 CA ARG A 67 -0.855 8.270 14.230 1.00 0.00 C ATOM 956 C ARG A 67 -1.980 7.230 14.229 1.00 0.00 C ATOM 957 O ARG A 67 -1.737 6.046 14.346 1.00 0.00 O ATOM 958 CB ARG A 67 -0.669 8.844 15.629 1.00 0.00 C ATOM 959 CG ARG A 67 -1.883 9.699 15.984 1.00 0.00 C ATOM 960 CD ARG A 67 -1.930 9.913 17.496 1.00 0.00 C ATOM 961 NE ARG A 67 -2.496 11.278 17.669 1.00 0.00 N ATOM 962 CZ ARG A 67 -2.845 11.691 18.854 1.00 0.00 C ATOM 963 NH1 ARG A 67 -2.444 11.045 19.915 1.00 0.00 N ATOM 964 NH2 ARG A 67 -3.594 12.750 18.980 1.00 0.00 N ATOM 0 H ARG A 67 -0.923 10.352 13.755 1.00 0.00 H new ATOM 0 HA ARG A 67 0.035 7.757 13.865 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.552 8.038 16.354 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.239 9.445 15.671 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.827 10.659 15.472 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.797 9.210 15.646 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.552 9.162 17.983 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.936 9.838 17.937 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.611 11.890 16.861 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.857 10.217 19.816 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.717 11.369 20.843 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.907 13.255 18.151 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.868 13.074 19.908 1.00 0.00 H new ATOM 978 N ASP A 68 -3.205 7.655 14.102 1.00 0.00 N ATOM 979 CA ASP A 68 -4.329 6.672 14.099 1.00 0.00 C ATOM 980 C ASP A 68 -4.542 6.133 12.687 1.00 0.00 C ATOM 981 O ASP A 68 -4.925 4.993 12.491 1.00 0.00 O ATOM 982 CB ASP A 68 -5.555 7.460 14.565 1.00 0.00 C ATOM 983 CG ASP A 68 -5.327 7.960 15.992 1.00 0.00 C ATOM 984 OD1 ASP A 68 -4.511 7.371 16.682 1.00 0.00 O ATOM 985 OD2 ASP A 68 -5.972 8.923 16.370 1.00 0.00 O ATOM 0 H ASP A 68 -3.478 8.633 14.001 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.133 5.816 14.745 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.734 8.303 13.897 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.443 6.828 14.527 1.00 0.00 H new ATOM 990 N GLU A 69 -4.276 6.937 11.702 1.00 0.00 N ATOM 991 CA GLU A 69 -4.439 6.470 10.300 1.00 0.00 C ATOM 992 C GLU A 69 -3.255 5.589 9.939 1.00 0.00 C ATOM 993 O GLU A 69 -3.398 4.548 9.331 1.00 0.00 O ATOM 994 CB GLU A 69 -4.434 7.733 9.450 1.00 0.00 C ATOM 995 CG GLU A 69 -5.418 8.745 10.026 1.00 0.00 C ATOM 996 CD GLU A 69 -5.386 10.010 9.167 1.00 0.00 C ATOM 997 OE1 GLU A 69 -4.312 10.345 8.698 1.00 0.00 O ATOM 998 OE2 GLU A 69 -6.427 10.619 8.989 1.00 0.00 O ATOM 0 H GLU A 69 -3.952 7.899 11.805 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.352 5.893 10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.432 8.161 9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.705 7.492 8.422 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.424 8.326 10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.155 8.982 11.057 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.082 5.996 10.331 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.885 5.178 10.035 1.00 0.00 C ATOM 1007 C PHE A 70 -1.084 3.795 10.637 1.00 0.00 C ATOM 1008 O PHE A 70 -0.630 2.808 10.107 1.00 0.00 O ATOM 1009 CB PHE A 70 0.276 5.905 10.717 1.00 0.00 C ATOM 1010 CG PHE A 70 1.585 5.311 10.258 1.00 0.00 C ATOM 1011 CD1 PHE A 70 2.149 4.231 10.950 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.238 5.841 9.139 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.364 3.683 10.521 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.452 5.293 8.710 1.00 0.00 C ATOM 1015 CZ PHE A 70 4.014 4.215 9.401 1.00 0.00 C ATOM 0 H PHE A 70 -1.904 6.860 10.843 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.699 5.056 8.968 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.244 6.968 10.478 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.186 5.819 11.800 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.647 3.821 11.814 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.804 6.674 8.606 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.799 2.851 11.054 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.954 5.702 7.846 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.951 3.792 9.070 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.775 3.722 11.743 1.00 0.00 N ATOM 1026 CA ALA A 71 -2.013 2.398 12.390 1.00 0.00 C ATOM 1027 C ALA A 71 -2.780 1.478 11.446 1.00 0.00 C ATOM 1028 O ALA A 71 -2.368 0.364 11.164 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.851 2.705 13.632 1.00 0.00 C ATOM 0 H ALA A 71 -2.185 4.521 12.227 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.081 1.892 12.641 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.068 1.778 14.163 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.298 3.378 14.287 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.786 3.178 13.332 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.892 1.934 10.957 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.699 1.094 10.029 1.00 0.00 C ATOM 1037 C VAL A 72 -3.829 0.608 8.859 1.00 0.00 C ATOM 1038 O VAL A 72 -4.094 -0.416 8.253 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.807 2.029 9.532 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.636 1.320 8.457 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.719 2.424 10.705 1.00 0.00 C ATOM 0 H VAL A 72 -4.282 2.855 11.158 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.099 0.202 10.510 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.355 2.926 9.109 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.423 1.987 8.106 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.991 1.047 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.084 0.420 8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.505 3.089 10.347 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.169 1.528 11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.131 2.935 11.467 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.802 1.345 8.524 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.933 0.945 7.374 1.00 0.00 C ATOM 1053 C ALA A 73 -0.801 -0.004 7.790 1.00 0.00 C ATOM 1054 O ALA A 73 -0.130 -0.566 6.949 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.343 2.256 6.859 1.00 0.00 C ATOM 0 H ALA A 73 -2.526 2.206 8.996 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.512 0.404 6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.690 2.052 6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.149 2.919 6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.769 2.733 7.653 1.00 0.00 H new ATOM 1061 N MET A 74 -0.559 -0.190 9.059 1.00 0.00 N ATOM 1062 CA MET A 74 0.560 -1.109 9.444 1.00 0.00 C ATOM 1063 C MET A 74 0.081 -2.554 9.516 1.00 0.00 C ATOM 1064 O MET A 74 0.744 -3.455 9.041 1.00 0.00 O ATOM 1065 CB MET A 74 1.059 -0.643 10.817 1.00 0.00 C ATOM 1066 CG MET A 74 1.154 0.888 10.887 1.00 0.00 C ATOM 1067 SD MET A 74 1.651 1.586 9.284 1.00 0.00 S ATOM 1068 CE MET A 74 3.067 0.507 8.977 1.00 0.00 C ATOM 0 H MET A 74 -1.070 0.240 9.830 1.00 0.00 H new ATOM 0 HA MET A 74 1.357 -1.076 8.701 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.384 -1.003 11.593 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.037 -1.080 11.018 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.191 1.302 11.185 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.875 1.176 11.652 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.909 1.103 8.626 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.343 -0.003 9.900 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.804 -0.231 8.219 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.058 -2.797 10.090 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.537 -4.200 10.154 1.00 0.00 C ATOM 1080 C PHE A 75 -2.081 -4.585 8.773 1.00 0.00 C ATOM 1081 O PHE A 75 -2.128 -5.743 8.410 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.621 -4.221 11.244 1.00 0.00 C ATOM 1083 CG PHE A 75 -3.970 -3.982 10.625 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -4.319 -2.698 10.207 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.859 -5.047 10.452 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -5.560 -2.475 9.614 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -6.101 -4.827 9.855 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.454 -3.542 9.435 1.00 0.00 C ATOM 0 H PHE A 75 -1.670 -2.098 10.512 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.757 -4.920 10.402 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.612 -5.181 11.760 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.413 -3.456 11.992 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.629 -1.878 10.343 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.585 -6.039 10.780 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.834 -1.481 9.292 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.788 -5.649 9.718 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.415 -3.370 8.973 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.471 -3.607 7.995 1.00 0.00 N ATOM 1099 CA LEU A 76 -2.984 -3.906 6.630 1.00 0.00 C ATOM 1100 C LEU A 76 -1.811 -4.238 5.709 1.00 0.00 C ATOM 1101 O LEU A 76 -1.964 -4.885 4.693 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.692 -2.629 6.176 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.204 -2.815 6.303 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.919 -1.606 5.699 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.627 -4.083 5.556 1.00 0.00 C ATOM 0 H LEU A 76 -2.455 -2.619 8.248 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.661 -4.760 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.366 -1.784 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.428 -2.401 5.143 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.471 -2.907 7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.997 -1.738 5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.618 -0.703 6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.652 -1.514 4.646 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.705 -4.216 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.360 -3.991 4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.118 -4.946 5.986 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.633 -3.803 6.067 1.00 0.00 N ATOM 1118 CA VAL A 77 0.562 -4.095 5.227 1.00 0.00 C ATOM 1119 C VAL A 77 1.212 -5.395 5.689 1.00 0.00 C ATOM 1120 O VAL A 77 1.853 -6.083 4.922 1.00 0.00 O ATOM 1121 CB VAL A 77 1.497 -2.899 5.443 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.845 -3.162 4.767 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.863 -1.647 4.835 1.00 0.00 C ATOM 0 H VAL A 77 -0.447 -3.256 6.908 1.00 0.00 H new ATOM 0 HA VAL A 77 0.317 -4.224 4.173 1.00 0.00 H new ATOM 0 HB VAL A 77 1.654 -2.754 6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.504 -2.308 4.925 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.299 -4.055 5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.693 -3.310 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.525 -0.794 4.986 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.707 -1.800 3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.095 -1.453 5.318 1.00 0.00 H new ATOM 1133 N TYR A 78 1.041 -5.745 6.931 1.00 0.00 N ATOM 1134 CA TYR A 78 1.640 -7.011 7.427 1.00 0.00 C ATOM 1135 C TYR A 78 0.648 -8.154 7.218 1.00 0.00 C ATOM 1136 O TYR A 78 1.019 -9.307 7.126 1.00 0.00 O ATOM 1137 CB TYR A 78 1.905 -6.777 8.911 1.00 0.00 C ATOM 1138 CG TYR A 78 3.335 -6.327 9.082 1.00 0.00 C ATOM 1139 CD1 TYR A 78 4.377 -7.106 8.565 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.619 -5.129 9.748 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.705 -6.687 8.716 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.947 -4.710 9.899 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.990 -5.489 9.383 1.00 0.00 C ATOM 1144 OH TYR A 78 7.299 -5.077 9.532 1.00 0.00 O ATOM 0 H TYR A 78 0.514 -5.211 7.622 1.00 0.00 H new ATOM 0 HA TYR A 78 2.557 -7.280 6.903 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.222 -6.023 9.302 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.727 -7.692 9.476 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.157 -8.029 8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.814 -4.528 10.145 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.509 -7.288 8.318 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.167 -3.786 10.413 1.00 0.00 H new ATOM 0 HH TYR A 78 7.321 -4.226 10.017 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.615 -7.836 7.121 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.632 -8.893 6.891 1.00 0.00 C ATOM 1156 C CYS A 79 -1.684 -9.214 5.395 1.00 0.00 C ATOM 1157 O CYS A 79 -2.237 -10.213 4.981 1.00 0.00 O ATOM 1158 CB CYS A 79 -2.955 -8.292 7.369 1.00 0.00 C ATOM 1159 SG CYS A 79 -3.039 -8.378 9.175 1.00 0.00 S ATOM 0 H CYS A 79 -0.983 -6.887 7.192 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.410 -9.820 7.419 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.036 -7.256 7.039 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.793 -8.833 6.929 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.668 -7.239 9.681 1.00 0.00 H new ATOM 1165 N ALA A 80 -1.085 -8.380 4.583 1.00 0.00 N ATOM 1166 CA ALA A 80 -1.074 -8.644 3.119 1.00 0.00 C ATOM 1167 C ALA A 80 0.151 -9.491 2.776 1.00 0.00 C ATOM 1168 O ALA A 80 0.285 -10.008 1.685 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.978 -7.264 2.465 1.00 0.00 C ATOM 0 H ALA A 80 -0.604 -7.529 4.874 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.956 -9.185 2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.965 -7.375 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.838 -6.662 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.062 -6.770 2.790 1.00 0.00 H new ATOM 1175 N LEU A 81 1.047 -9.632 3.712 1.00 0.00 N ATOM 1176 CA LEU A 81 2.275 -10.441 3.470 1.00 0.00 C ATOM 1177 C LEU A 81 2.023 -11.884 3.879 1.00 0.00 C ATOM 1178 O LEU A 81 2.391 -12.816 3.191 1.00 0.00 O ATOM 1179 CB LEU A 81 3.353 -9.822 4.365 1.00 0.00 C ATOM 1180 CG LEU A 81 3.177 -8.303 4.441 1.00 0.00 C ATOM 1181 CD1 LEU A 81 4.482 -7.661 4.904 1.00 0.00 C ATOM 1182 CD2 LEU A 81 2.799 -7.760 3.060 1.00 0.00 C ATOM 0 H LEU A 81 0.981 -9.218 4.642 1.00 0.00 H new ATOM 0 HA LEU A 81 2.570 -10.439 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.295 -10.252 5.365 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.341 -10.061 3.973 1.00 0.00 H new ATOM 0 HG LEU A 81 2.385 -8.065 5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.356 -6.580 4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.747 -8.045 5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.276 -7.899 4.196 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.674 -6.679 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.588 -7.998 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.865 -8.217 2.733 1.00 0.00 H new ATOM 1194 N GLU A 82 1.395 -12.071 5.001 1.00 0.00 N ATOM 1195 CA GLU A 82 1.113 -13.450 5.470 1.00 0.00 C ATOM 1196 C GLU A 82 0.071 -14.096 4.563 1.00 0.00 C ATOM 1197 O GLU A 82 0.281 -15.166 4.029 1.00 0.00 O ATOM 1198 CB GLU A 82 0.572 -13.281 6.891 1.00 0.00 C ATOM 1199 CG GLU A 82 -0.107 -14.576 7.344 1.00 0.00 C ATOM 1200 CD GLU A 82 0.934 -15.692 7.443 1.00 0.00 C ATOM 1201 OE1 GLU A 82 1.221 -16.299 6.426 1.00 0.00 O ATOM 1202 OE2 GLU A 82 1.424 -15.921 8.537 1.00 0.00 O ATOM 0 H GLU A 82 1.064 -11.327 5.615 1.00 0.00 H new ATOM 0 HA GLU A 82 1.994 -14.091 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.385 -13.028 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.139 -12.456 6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.589 -14.427 8.310 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.889 -14.855 6.638 1.00 0.00 H new ATOM 1209 N LYS A 83 -1.046 -13.448 4.373 1.00 0.00 N ATOM 1210 CA LYS A 83 -2.095 -14.032 3.483 1.00 0.00 C ATOM 1211 C LYS A 83 -3.343 -13.139 3.432 1.00 0.00 C ATOM 1212 O LYS A 83 -4.092 -13.162 2.475 1.00 0.00 O ATOM 1213 CB LYS A 83 -2.440 -15.385 4.108 1.00 0.00 C ATOM 1214 CG LYS A 83 -3.621 -16.007 3.363 1.00 0.00 C ATOM 1215 CD LYS A 83 -4.610 -16.592 4.372 1.00 0.00 C ATOM 1216 CE LYS A 83 -5.857 -17.090 3.640 1.00 0.00 C ATOM 1217 NZ LYS A 83 -6.662 -15.864 3.374 1.00 0.00 N ATOM 0 H LYS A 83 -1.278 -12.547 4.791 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.739 -14.125 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.577 -16.049 4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.688 -15.258 5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -4.115 -15.254 2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.269 -16.788 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.145 -17.413 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.885 -15.835 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.594 -17.599 2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.413 -17.803 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.569 -15.928 3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.140 -15.028 3.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.839 -15.780 2.353 1.00 0.00 H new ATOM 1231 N GLU A 84 -3.588 -12.372 4.459 1.00 0.00 N ATOM 1232 CA GLU A 84 -4.804 -11.504 4.471 1.00 0.00 C ATOM 1233 C GLU A 84 -4.748 -10.461 3.349 1.00 0.00 C ATOM 1234 O GLU A 84 -3.929 -9.568 3.375 1.00 0.00 O ATOM 1235 CB GLU A 84 -4.787 -10.817 5.836 1.00 0.00 C ATOM 1236 CG GLU A 84 -6.014 -11.250 6.639 1.00 0.00 C ATOM 1237 CD GLU A 84 -7.016 -10.095 6.699 1.00 0.00 C ATOM 1238 OE1 GLU A 84 -6.834 -9.223 7.533 1.00 0.00 O ATOM 1239 OE2 GLU A 84 -7.945 -10.100 5.909 1.00 0.00 O ATOM 0 H GLU A 84 -3.001 -12.308 5.290 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.713 -12.083 4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.876 -11.077 6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.785 -9.734 5.710 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.475 -12.123 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.718 -11.542 7.647 1.00 0.00 H new ATOM 1246 N PRO A 85 -5.640 -10.607 2.405 1.00 0.00 N ATOM 1247 CA PRO A 85 -5.704 -9.659 1.264 1.00 0.00 C ATOM 1248 C PRO A 85 -6.249 -8.308 1.735 1.00 0.00 C ATOM 1249 O PRO A 85 -6.947 -8.224 2.725 1.00 0.00 O ATOM 1250 CB PRO A 85 -6.672 -10.332 0.293 1.00 0.00 C ATOM 1251 CG PRO A 85 -7.517 -11.223 1.147 1.00 0.00 C ATOM 1252 CD PRO A 85 -6.664 -11.653 2.311 1.00 0.00 C ATOM 0 HA PRO A 85 -4.733 -9.457 0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.280 -9.596 -0.232 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -6.137 -10.903 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -8.406 -10.696 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -7.861 -12.088 0.580 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -7.248 -11.724 3.229 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -6.219 -12.633 2.139 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.932 -7.247 1.044 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.434 -5.910 1.472 1.00 0.00 C ATOM 1262 C VAL A 86 -7.484 -5.387 0.491 1.00 0.00 C ATOM 1263 O VAL A 86 -7.202 -5.199 -0.674 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.199 -5.008 1.461 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -5.619 -3.562 1.731 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.223 -5.468 2.546 1.00 0.00 C ATOM 0 H VAL A 86 -5.350 -7.247 0.206 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.913 -5.947 2.451 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.714 -5.068 0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.738 -2.920 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.314 -3.235 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.104 -3.500 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.342 -4.826 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.708 -5.409 3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.923 -6.498 2.352 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.667 -5.161 1.000 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.767 -4.643 0.170 1.00 0.00 C ATOM 1278 C PRO A 87 -9.741 -3.115 0.189 1.00 0.00 C ATOM 1279 O PRO A 87 -9.393 -2.509 1.180 1.00 0.00 O ATOM 1280 CB PRO A 87 -11.011 -5.170 0.873 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.606 -5.386 2.306 1.00 0.00 C ATOM 1282 CD PRO A 87 -9.094 -5.365 2.382 1.00 0.00 C ATOM 0 HA PRO A 87 -9.714 -4.947 -0.875 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.833 -4.458 0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.354 -6.099 0.418 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -11.029 -4.608 2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -10.991 -6.339 2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.739 -4.564 3.031 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.703 -6.299 2.786 1.00 0.00 H new ATOM 1290 N MET A 88 -10.098 -2.484 -0.893 1.00 0.00 N ATOM 1291 CA MET A 88 -10.072 -0.987 -0.912 1.00 0.00 C ATOM 1292 C MET A 88 -11.240 -0.399 -0.137 1.00 0.00 C ATOM 1293 O MET A 88 -11.456 0.796 -0.140 1.00 0.00 O ATOM 1294 CB MET A 88 -10.204 -0.553 -2.365 1.00 0.00 C ATOM 1295 CG MET A 88 -11.135 -1.488 -3.140 1.00 0.00 C ATOM 1296 SD MET A 88 -11.760 -0.630 -4.606 1.00 0.00 S ATOM 1297 CE MET A 88 -12.554 -2.058 -5.382 1.00 0.00 C ATOM 0 H MET A 88 -10.404 -2.929 -1.758 1.00 0.00 H new ATOM 0 HA MET A 88 -9.146 -0.639 -0.454 1.00 0.00 H new ATOM 0 HB2 MET A 88 -10.589 0.466 -2.409 1.00 0.00 H new ATOM 0 HB3 MET A 88 -9.221 -0.543 -2.835 1.00 0.00 H new ATOM 0 HG2 MET A 88 -10.600 -2.391 -3.434 1.00 0.00 H new ATOM 0 HG3 MET A 88 -11.965 -1.801 -2.506 1.00 0.00 H new ATOM 0 HE1 MET A 88 -13.015 -1.752 -6.321 1.00 0.00 H new ATOM 0 HE2 MET A 88 -11.807 -2.828 -5.577 1.00 0.00 H new ATOM 0 HE3 MET A 88 -13.319 -2.456 -4.715 1.00 0.00 H new ATOM 1307 N SER A 89 -12.014 -1.212 0.499 1.00 0.00 N ATOM 1308 CA SER A 89 -13.183 -0.662 1.232 1.00 0.00 C ATOM 1309 C SER A 89 -12.904 -0.496 2.722 1.00 0.00 C ATOM 1310 O SER A 89 -12.912 -1.442 3.483 1.00 0.00 O ATOM 1311 CB SER A 89 -14.307 -1.663 1.016 1.00 0.00 C ATOM 1312 OG SER A 89 -14.708 -1.637 -0.349 1.00 0.00 O ATOM 0 H SER A 89 -11.896 -2.224 0.548 1.00 0.00 H new ATOM 0 HA SER A 89 -13.433 0.333 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.974 -2.664 1.290 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.153 -1.421 1.660 1.00 0.00 H new ATOM 0 HG SER A 89 -15.431 -2.283 -0.490 1.00 0.00 H new ATOM 1318 N LEU A 90 -12.694 0.716 3.139 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.454 0.977 4.587 1.00 0.00 C ATOM 1320 C LEU A 90 -13.462 0.183 5.421 1.00 0.00 C ATOM 1321 O LEU A 90 -14.620 0.541 5.495 1.00 0.00 O ATOM 1322 CB LEU A 90 -12.696 2.478 4.766 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.508 3.117 5.487 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -11.895 4.520 5.959 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -11.113 2.269 6.702 1.00 0.00 C ATOM 0 H LEU A 90 -12.677 1.542 2.541 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.453 0.684 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.839 2.950 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.610 2.642 5.337 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.664 3.176 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -11.050 4.977 6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -12.170 5.130 5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -12.742 4.453 6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.266 2.732 7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.956 2.204 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.835 1.268 6.372 1.00 0.00 H new ATOM 1337 N PRO A 91 -12.990 -0.874 6.022 1.00 0.00 N ATOM 1338 CA PRO A 91 -13.873 -1.727 6.859 1.00 0.00 C ATOM 1339 C PRO A 91 -14.332 -0.967 8.107 1.00 0.00 C ATOM 1340 O PRO A 91 -13.569 -0.236 8.708 1.00 0.00 O ATOM 1341 CB PRO A 91 -12.984 -2.916 7.215 1.00 0.00 C ATOM 1342 CG PRO A 91 -11.587 -2.401 7.087 1.00 0.00 C ATOM 1343 CD PRO A 91 -11.611 -1.370 5.990 1.00 0.00 C ATOM 0 HA PRO A 91 -14.789 -2.031 6.353 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.184 -3.270 8.226 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.159 -3.756 6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -11.248 -1.962 8.025 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.896 -3.209 6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -10.892 -0.571 6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -11.363 -1.806 5.022 1.00 0.00 H new ATOM 1351 N PRO A 92 -15.580 -1.160 8.445 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.176 -0.479 9.625 1.00 0.00 C ATOM 1353 C PRO A 92 -15.626 -1.056 10.929 1.00 0.00 C ATOM 1354 O PRO A 92 -15.890 -0.552 12.002 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.664 -0.776 9.496 1.00 0.00 C ATOM 1356 CG PRO A 92 -17.741 -2.029 8.685 1.00 0.00 C ATOM 1357 CD PRO A 92 -16.548 -2.029 7.766 1.00 0.00 C ATOM 0 HA PRO A 92 -15.952 0.587 9.651 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -18.126 -0.910 10.474 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.189 0.044 9.006 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.732 -2.908 9.330 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -18.669 -2.063 8.114 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.152 -3.035 7.625 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -16.805 -1.646 6.778 1.00 0.00 H new ATOM 1365 N ALA A 93 -14.855 -2.098 10.845 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.276 -2.692 12.081 1.00 0.00 C ATOM 1367 C ALA A 93 -12.863 -2.154 12.261 1.00 0.00 C ATOM 1368 O ALA A 93 -12.045 -2.723 12.955 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.246 -4.200 11.833 1.00 0.00 C ATOM 0 H ALA A 93 -14.599 -2.566 9.976 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.848 -2.452 12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.830 -4.704 12.705 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.259 -4.560 11.655 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.627 -4.413 10.961 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.572 -1.063 11.611 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.213 -0.479 11.699 1.00 0.00 C ATOM 1377 C LEU A 94 -11.277 1.041 11.498 1.00 0.00 C ATOM 1378 O LEU A 94 -10.278 1.702 11.299 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.470 -1.158 10.554 1.00 0.00 C ATOM 1380 CG LEU A 94 -9.236 -0.353 10.172 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -8.115 -1.316 9.815 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -9.571 0.528 8.968 1.00 0.00 C ATOM 0 H LEU A 94 -13.225 -0.550 11.019 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.730 -0.634 12.664 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -10.178 -2.166 10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -11.129 -1.256 9.692 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.921 0.278 11.003 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.224 -0.751 9.539 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.892 -1.949 10.674 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.424 -1.939 8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.693 1.109 8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.874 -0.100 8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.385 1.204 9.227 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.445 1.606 11.550 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.560 3.076 11.359 1.00 0.00 C ATOM 1396 C VAL A 95 -12.792 3.762 12.704 1.00 0.00 C ATOM 1397 O VAL A 95 -13.589 3.311 13.502 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.773 3.259 10.447 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -15.044 2.890 11.212 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.859 4.718 9.992 1.00 0.00 C ATOM 0 H VAL A 95 -13.324 1.117 11.716 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.658 3.512 10.930 1.00 0.00 H new ATOM 0 HB VAL A 95 -13.670 2.613 9.575 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -15.910 3.020 10.563 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -14.985 1.851 11.535 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -15.144 3.536 12.084 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -14.725 4.846 9.342 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.960 5.365 10.863 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -12.953 4.983 9.447 1.00 0.00 H new ATOM 1410 N PRO A 96 -12.095 4.844 12.904 1.00 0.00 N ATOM 1411 CA PRO A 96 -12.239 5.615 14.164 1.00 0.00 C ATOM 1412 C PRO A 96 -13.662 6.178 14.269 1.00 0.00 C ATOM 1413 O PRO A 96 -14.274 6.501 13.270 1.00 0.00 O ATOM 1414 CB PRO A 96 -11.190 6.720 14.026 1.00 0.00 C ATOM 1415 CG PRO A 96 -10.967 6.846 12.553 1.00 0.00 C ATOM 1416 CD PRO A 96 -11.123 5.458 11.990 1.00 0.00 C ATOM 0 HA PRO A 96 -12.089 5.024 15.067 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -11.543 7.658 14.455 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -10.268 6.459 14.546 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -11.687 7.532 12.106 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.975 7.244 12.341 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -11.489 5.477 10.963 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.177 4.916 11.982 1.00 0.00 H new ATOM 1424 N PRO A 97 -14.151 6.251 15.479 1.00 0.00 N ATOM 1425 CA PRO A 97 -15.531 6.750 15.718 1.00 0.00 C ATOM 1426 C PRO A 97 -15.643 8.245 15.417 1.00 0.00 C ATOM 1427 O PRO A 97 -16.711 8.819 15.483 1.00 0.00 O ATOM 1428 CB PRO A 97 -15.762 6.466 17.200 1.00 0.00 C ATOM 1429 CG PRO A 97 -14.395 6.412 17.800 1.00 0.00 C ATOM 1430 CD PRO A 97 -13.474 5.886 16.728 1.00 0.00 C ATOM 0 HA PRO A 97 -16.269 6.271 15.075 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.366 7.247 17.662 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -16.294 5.525 17.344 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -14.078 7.401 18.132 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -14.381 5.763 18.675 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -12.484 6.337 16.794 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -13.339 4.808 16.810 1.00 0.00 H new ATOM 1438 N SER A 98 -14.560 8.881 15.075 1.00 0.00 N ATOM 1439 CA SER A 98 -14.634 10.334 14.760 1.00 0.00 C ATOM 1440 C SER A 98 -15.001 10.516 13.290 1.00 0.00 C ATOM 1441 O SER A 98 -15.510 11.543 12.884 1.00 0.00 O ATOM 1442 CB SER A 98 -13.238 10.884 15.047 1.00 0.00 C ATOM 1443 OG SER A 98 -13.343 12.248 15.434 1.00 0.00 O ATOM 0 H SER A 98 -13.633 8.462 15.000 1.00 0.00 H new ATOM 0 HA SER A 98 -15.390 10.853 15.349 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.762 10.305 15.838 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.609 10.792 14.162 1.00 0.00 H new ATOM 0 HG SER A 98 -12.450 12.605 15.621 1.00 0.00 H new ATOM 1449 N LYS A 99 -14.758 9.518 12.491 1.00 0.00 N ATOM 1450 CA LYS A 99 -15.105 9.618 11.049 1.00 0.00 C ATOM 1451 C LYS A 99 -16.532 9.113 10.826 1.00 0.00 C ATOM 1452 O LYS A 99 -17.013 9.052 9.712 1.00 0.00 O ATOM 1453 CB LYS A 99 -14.098 8.717 10.334 1.00 0.00 C ATOM 1454 CG LYS A 99 -13.391 9.511 9.234 1.00 0.00 C ATOM 1455 CD LYS A 99 -12.701 10.735 9.844 1.00 0.00 C ATOM 1456 CE LYS A 99 -11.913 10.310 11.086 1.00 0.00 C ATOM 1457 NZ LYS A 99 -10.750 11.240 11.145 1.00 0.00 N ATOM 0 H LYS A 99 -14.333 8.635 12.775 1.00 0.00 H new ATOM 0 HA LYS A 99 -15.063 10.642 10.679 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.368 8.333 11.046 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.607 7.855 9.904 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.657 8.881 8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -14.111 9.826 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.032 11.190 9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.442 11.489 10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.524 10.385 11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.585 9.273 11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.928 10.743 11.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.522 11.573 10.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -10.987 12.054 11.747 1.00 0.00 H new ATOM 1471 N ARG A 100 -17.214 8.748 11.880 1.00 0.00 N ATOM 1472 CA ARG A 100 -18.610 8.246 11.720 1.00 0.00 C ATOM 1473 C ARG A 100 -19.535 8.914 12.739 1.00 0.00 C ATOM 1474 O ARG A 100 -19.116 9.736 13.531 1.00 0.00 O ATOM 1475 CB ARG A 100 -18.525 6.742 11.978 1.00 0.00 C ATOM 1476 CG ARG A 100 -18.090 6.497 13.424 1.00 0.00 C ATOM 1477 CD ARG A 100 -18.385 5.045 13.808 1.00 0.00 C ATOM 1478 NE ARG A 100 -17.628 4.228 12.822 1.00 0.00 N ATOM 1479 CZ ARG A 100 -18.026 3.020 12.530 1.00 0.00 C ATOM 1480 NH1 ARG A 100 -17.824 2.044 13.373 1.00 0.00 N ATOM 1481 NH2 ARG A 100 -18.626 2.789 11.394 1.00 0.00 N ATOM 0 H ARG A 100 -16.867 8.776 12.839 1.00 0.00 H new ATOM 0 HA ARG A 100 -19.015 8.467 10.733 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -19.493 6.275 11.794 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -17.814 6.284 11.290 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -17.026 6.704 13.535 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -18.618 7.176 14.094 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -18.063 4.833 14.827 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -19.453 4.833 13.760 1.00 0.00 H new ATOM 0 HE ARG A 100 -16.797 4.613 12.373 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -17.355 2.225 14.260 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -18.135 1.100 13.144 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -18.783 3.552 10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -18.938 1.845 11.164 1.00 0.00 H new TER 1495 ARG A 100 HETATM 1496 CA CA A 107 -4.959 11.883 6.914 1.00 12.07 CA