USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 959 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 96 GLN : amide:sc= -6.53! C(o=-5.5!,f=-12!) USER MOD Set 1.2: A 98 TYR OH : rot -52:sc= 1.04 USER MOD Set 2.1: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 116 ASN : amide:sc= -0.215! X(o=-0.21!,f=-0.7) USER MOD Set 3.1: A 45 CYS SG : rot -16:sc= -4.68! USER MOD Set 3.2: A 67 GLN : amide:sc= -3.91! C(o=-8.6!,f=-11!) USER MOD Set 4.1: A 18 CYS SG : rot 130:sc= 0.00404 USER MOD Set 4.2: A 36 TYR OH : rot 180:sc= -0.0922 USER MOD Set 4.3: A 52 ASN : amide:sc= -4.11! C(o=-4.2!,f=-4.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 164:sc= 0 (180deg=-0.238) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0899 X(o=-0.09,f=-0.57) USER MOD Single : A 15 ASN : amide:sc= -0.0236 K(o=-0.024,f=-1.5!) USER MOD Single : A 26 ASN : amide:sc= -0.216 K(o=-0.22,f=0.85) USER MOD Single : A 28 ASN : amide:sc=-0.00705 X(o=-0.007,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 42 GLN : amide:sc= -0.0111 X(o=-0.011,f=-0.008) USER MOD Single : A 44 ASN : amide:sc= -1.87! K(o=-1.9!,f=-1.2) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.328 USER MOD Single : A 50 MET CE :methyl 133:sc= -1.76 (180deg=-3.98!) USER MOD Single : A 54 GLN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.272 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.384 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.5 K(o=-2.5,f=-8.2!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 39:sc= 0.229 USER MOD Single : A 88 CYS SG : rot -66:sc= -1.91 USER MOD Single : A 92 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.15) USER MOD Single : A 95 SER OG : rot 25:sc= 0.287 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 119 SER OG : rot 139:sc= 0.487 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 1:sc= 1.28 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 13:sc= 0.533! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.530 -21.378 10.252 1.00 0.00 N ATOM 2 CA GLY A 1 0.138 -21.175 10.615 1.00 0.00 C ATOM 3 C GLY A 1 -0.489 -20.057 9.780 1.00 0.00 C ATOM 4 O GLY A 1 -0.896 -19.028 10.320 1.00 0.00 O ATOM 0 H1 GLY A 1 1.932 -22.141 10.832 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.592 -21.638 9.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.063 -20.500 10.416 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.419 -22.100 10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.067 -20.926 11.674 1.00 0.00 H new ATOM 8 N SER A 2 -0.547 -20.295 8.478 1.00 0.00 N ATOM 9 CA SER A 2 -1.118 -19.320 7.564 1.00 0.00 C ATOM 10 C SER A 2 -1.912 -20.033 6.468 1.00 0.00 C ATOM 11 O SER A 2 -1.596 -21.164 6.103 1.00 0.00 O ATOM 12 CB SER A 2 -0.028 -18.443 6.945 1.00 0.00 C ATOM 13 OG SER A 2 1.001 -19.219 6.337 1.00 0.00 O ATOM 0 H SER A 2 -0.208 -21.149 8.034 1.00 0.00 H new ATOM 0 HA SER A 2 -1.790 -18.674 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.473 -17.784 6.200 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.406 -17.806 7.716 1.00 0.00 H new ATOM 0 HG SER A 2 1.677 -18.622 5.952 1.00 0.00 H new ATOM 19 N SER A 3 -2.929 -19.342 5.974 1.00 0.00 N ATOM 20 CA SER A 3 -3.771 -19.895 4.927 1.00 0.00 C ATOM 21 C SER A 3 -4.713 -18.816 4.388 1.00 0.00 C ATOM 22 O SER A 3 -5.136 -17.930 5.130 1.00 0.00 O ATOM 23 CB SER A 3 -4.574 -21.092 5.440 1.00 0.00 C ATOM 24 OG SER A 3 -5.537 -20.709 6.418 1.00 0.00 O ATOM 0 H SER A 3 -3.189 -18.404 6.280 1.00 0.00 H new ATOM 0 HA SER A 3 -3.127 -20.243 4.119 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.079 -21.575 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.894 -21.828 5.869 1.00 0.00 H new ATOM 0 HG SER A 3 -6.030 -21.501 6.719 1.00 0.00 H new ATOM 30 N GLY A 4 -5.013 -18.926 3.103 1.00 0.00 N ATOM 31 CA GLY A 4 -5.897 -17.971 2.456 1.00 0.00 C ATOM 32 C GLY A 4 -5.117 -16.754 1.955 1.00 0.00 C ATOM 33 O GLY A 4 -5.160 -15.689 2.568 1.00 0.00 O ATOM 0 H GLY A 4 -4.660 -19.662 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.406 -18.450 1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.667 -17.650 3.157 1.00 0.00 H new ATOM 37 N SER A 5 -4.423 -16.953 0.844 1.00 0.00 N ATOM 38 CA SER A 5 -3.634 -15.886 0.253 1.00 0.00 C ATOM 39 C SER A 5 -4.343 -15.337 -0.987 1.00 0.00 C ATOM 40 O SER A 5 -4.992 -16.084 -1.717 1.00 0.00 O ATOM 41 CB SER A 5 -2.231 -16.375 -0.111 1.00 0.00 C ATOM 42 OG SER A 5 -1.222 -15.455 0.298 1.00 0.00 O ATOM 0 H SER A 5 -4.391 -17.838 0.338 1.00 0.00 H new ATOM 0 HA SER A 5 -3.532 -15.088 0.989 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.051 -17.342 0.358 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.168 -16.527 -1.189 1.00 0.00 H new ATOM 0 HG SER A 5 -0.341 -15.804 0.049 1.00 0.00 H new ATOM 48 N SER A 6 -4.194 -14.035 -1.186 1.00 0.00 N ATOM 49 CA SER A 6 -4.812 -13.377 -2.325 1.00 0.00 C ATOM 50 C SER A 6 -4.082 -13.764 -3.613 1.00 0.00 C ATOM 51 O SER A 6 -2.956 -13.328 -3.847 1.00 0.00 O ATOM 52 CB SER A 6 -4.810 -11.857 -2.150 1.00 0.00 C ATOM 53 OG SER A 6 -5.504 -11.454 -0.973 1.00 0.00 O ATOM 0 H SER A 6 -3.655 -13.419 -0.578 1.00 0.00 H new ATOM 0 HA SER A 6 -5.849 -13.707 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.782 -11.499 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.272 -11.391 -3.021 1.00 0.00 H new ATOM 0 HG SER A 6 -5.479 -10.477 -0.896 1.00 0.00 H new ATOM 59 N GLY A 7 -4.753 -14.579 -4.413 1.00 0.00 N ATOM 60 CA GLY A 7 -4.182 -15.029 -5.671 1.00 0.00 C ATOM 61 C GLY A 7 -4.875 -14.359 -6.859 1.00 0.00 C ATOM 62 O GLY A 7 -4.559 -14.651 -8.012 1.00 0.00 O ATOM 0 H GLY A 7 -5.686 -14.939 -4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.116 -14.802 -5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.279 -16.112 -5.752 1.00 0.00 H new ATOM 66 N MET A 8 -5.807 -13.474 -6.537 1.00 0.00 N ATOM 67 CA MET A 8 -6.547 -12.760 -7.564 1.00 0.00 C ATOM 68 C MET A 8 -5.639 -11.787 -8.318 1.00 0.00 C ATOM 69 O MET A 8 -5.725 -11.671 -9.540 1.00 0.00 O ATOM 70 CB MET A 8 -7.699 -11.987 -6.918 1.00 0.00 C ATOM 71 CG MET A 8 -8.142 -10.822 -7.805 1.00 0.00 C ATOM 72 SD MET A 8 -9.916 -10.637 -7.729 1.00 0.00 S ATOM 73 CE MET A 8 -10.116 -10.281 -5.991 1.00 0.00 C ATOM 0 H MET A 8 -6.067 -13.235 -5.580 1.00 0.00 H new ATOM 0 HA MET A 8 -6.939 -13.487 -8.275 1.00 0.00 H new ATOM 0 HB2 MET A 8 -8.540 -12.658 -6.745 1.00 0.00 H new ATOM 0 HB3 MET A 8 -7.388 -11.609 -5.944 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.658 -9.901 -7.479 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.830 -10.999 -8.834 1.00 0.00 H new ATOM 0 HE1 MET A 8 -11.107 -9.862 -5.817 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.004 -11.200 -5.416 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.359 -9.563 -5.677 1.00 0.00 H new ATOM 83 N PRO A 9 -4.766 -11.094 -7.539 1.00 0.00 N ATOM 84 CA PRO A 9 -3.843 -10.134 -8.121 1.00 0.00 C ATOM 85 C PRO A 9 -2.692 -10.845 -8.837 1.00 0.00 C ATOM 86 O PRO A 9 -2.729 -12.060 -9.024 1.00 0.00 O ATOM 87 CB PRO A 9 -3.377 -9.279 -6.953 1.00 0.00 C ATOM 88 CG PRO A 9 -3.692 -10.078 -5.699 1.00 0.00 C ATOM 89 CD PRO A 9 -4.635 -11.205 -6.089 1.00 0.00 C ATOM 0 HA PRO A 9 -4.307 -9.517 -8.890 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.310 -9.069 -7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.891 -8.318 -6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.777 -10.479 -5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.152 -9.439 -4.945 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.232 -12.176 -5.801 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.601 -11.102 -5.595 1.00 0.00 H new ATOM 97 N TYR A 10 -1.698 -10.057 -9.219 1.00 0.00 N ATOM 98 CA TYR A 10 -0.540 -10.595 -9.911 1.00 0.00 C ATOM 99 C TYR A 10 0.691 -9.715 -9.686 1.00 0.00 C ATOM 100 O TYR A 10 0.650 -8.774 -8.895 1.00 0.00 O ATOM 101 CB TYR A 10 -0.895 -10.585 -11.399 1.00 0.00 C ATOM 102 CG TYR A 10 -1.881 -11.679 -11.811 1.00 0.00 C ATOM 103 CD1 TYR A 10 -3.234 -11.505 -11.598 1.00 0.00 C ATOM 104 CD2 TYR A 10 -1.419 -12.841 -12.395 1.00 0.00 C ATOM 105 CE1 TYR A 10 -4.163 -12.535 -11.986 1.00 0.00 C ATOM 106 CE2 TYR A 10 -2.348 -13.871 -12.783 1.00 0.00 C ATOM 107 CZ TYR A 10 -3.674 -13.667 -12.559 1.00 0.00 C ATOM 108 OH TYR A 10 -4.551 -14.640 -12.925 1.00 0.00 O ATOM 0 H TYR A 10 -1.671 -9.049 -9.062 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.304 -11.594 -9.545 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.319 -9.614 -11.654 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.020 -10.697 -11.981 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.596 -10.596 -11.140 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.361 -12.978 -12.561 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.224 -12.411 -11.825 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.000 -14.785 -13.241 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.061 -15.390 -13.322 1.00 0.00 H new ATOM 118 N VAL A 11 1.758 -10.052 -10.397 1.00 0.00 N ATOM 119 CA VAL A 11 2.998 -9.303 -10.285 1.00 0.00 C ATOM 120 C VAL A 11 2.724 -7.824 -10.566 1.00 0.00 C ATOM 121 O VAL A 11 2.291 -7.467 -11.660 1.00 0.00 O ATOM 122 CB VAL A 11 4.056 -9.902 -11.214 1.00 0.00 C ATOM 123 CG1 VAL A 11 3.826 -9.462 -12.662 1.00 0.00 C ATOM 124 CG2 VAL A 11 5.466 -9.537 -10.747 1.00 0.00 C ATOM 0 H VAL A 11 1.789 -10.833 -11.052 1.00 0.00 H new ATOM 0 HA VAL A 11 3.396 -9.372 -9.273 1.00 0.00 H new ATOM 0 HB VAL A 11 3.961 -10.987 -11.174 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.591 -9.901 -13.302 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.842 -9.796 -12.992 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.881 -8.375 -12.725 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.199 -9.975 -11.425 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.579 -8.453 -10.743 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.627 -9.922 -9.740 1.00 0.00 H new ATOM 134 N ASP A 12 2.987 -7.005 -9.558 1.00 0.00 N ATOM 135 CA ASP A 12 2.774 -5.573 -9.683 1.00 0.00 C ATOM 136 C ASP A 12 3.124 -4.893 -8.358 1.00 0.00 C ATOM 137 O ASP A 12 2.866 -5.441 -7.287 1.00 0.00 O ATOM 138 CB ASP A 12 1.311 -5.260 -10.004 1.00 0.00 C ATOM 139 CG ASP A 12 0.372 -5.252 -8.796 1.00 0.00 C ATOM 140 OD1 ASP A 12 0.506 -6.177 -7.967 1.00 0.00 O ATOM 141 OD2 ASP A 12 -0.459 -4.321 -8.730 1.00 0.00 O ATOM 0 H ASP A 12 3.345 -7.306 -8.652 1.00 0.00 H new ATOM 0 HA ASP A 12 3.407 -5.207 -10.492 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.262 -4.286 -10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.947 -5.994 -10.723 1.00 0.00 H new ATOM 146 N ARG A 13 3.706 -3.708 -8.473 1.00 0.00 N ATOM 147 CA ARG A 13 4.093 -2.947 -7.298 1.00 0.00 C ATOM 148 C ARG A 13 3.712 -1.475 -7.469 1.00 0.00 C ATOM 149 O ARG A 13 4.564 -0.593 -7.366 1.00 0.00 O ATOM 150 CB ARG A 13 5.599 -3.051 -7.046 1.00 0.00 C ATOM 151 CG ARG A 13 5.914 -4.177 -6.060 1.00 0.00 C ATOM 152 CD ARG A 13 7.058 -5.053 -6.575 1.00 0.00 C ATOM 153 NE ARG A 13 8.124 -5.146 -5.553 1.00 0.00 N ATOM 154 CZ ARG A 13 9.092 -4.234 -5.392 1.00 0.00 C ATOM 155 NH1 ARG A 13 9.134 -3.154 -6.185 1.00 0.00 N ATOM 156 NH2 ARG A 13 10.018 -4.401 -4.438 1.00 0.00 N ATOM 0 H ARG A 13 3.919 -3.256 -9.363 1.00 0.00 H new ATOM 0 HA ARG A 13 3.563 -3.366 -6.443 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.117 -3.232 -7.988 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.972 -2.105 -6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.183 -3.753 -5.092 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.025 -4.788 -5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.685 -6.049 -6.815 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.462 -4.633 -7.496 1.00 0.00 H new ATOM 0 HE ARG A 13 8.122 -5.955 -4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.429 -3.027 -6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.871 -2.460 -6.062 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.986 -5.223 -3.834 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.755 -3.707 -4.315 1.00 0.00 H new ATOM 170 N GLN A 14 2.431 -1.255 -7.728 1.00 0.00 N ATOM 171 CA GLN A 14 1.927 0.095 -7.914 1.00 0.00 C ATOM 172 C GLN A 14 1.158 0.550 -6.673 1.00 0.00 C ATOM 173 O GLN A 14 0.165 1.268 -6.781 1.00 0.00 O ATOM 174 CB GLN A 14 1.051 0.185 -9.165 1.00 0.00 C ATOM 175 CG GLN A 14 1.903 0.141 -10.436 1.00 0.00 C ATOM 176 CD GLN A 14 1.622 1.352 -11.327 1.00 0.00 C ATOM 177 OE1 GLN A 14 1.407 2.460 -10.863 1.00 0.00 O ATOM 178 NE2 GLN A 14 1.635 1.080 -12.629 1.00 0.00 N ATOM 0 H GLN A 14 1.728 -1.989 -7.813 1.00 0.00 H new ATOM 0 HA GLN A 14 2.777 0.763 -8.056 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.337 -0.638 -9.173 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.473 1.109 -9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.960 0.119 -10.169 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.694 -0.776 -10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.822 0.130 -12.950 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.458 1.821 -13.307 1.00 0.00 H new ATOM 187 N ASN A 15 1.646 0.115 -5.520 1.00 0.00 N ATOM 188 CA ASN A 15 1.017 0.469 -4.259 1.00 0.00 C ATOM 189 C ASN A 15 1.168 1.973 -4.023 1.00 0.00 C ATOM 190 O ASN A 15 0.528 2.533 -3.135 1.00 0.00 O ATOM 191 CB ASN A 15 1.679 -0.262 -3.089 1.00 0.00 C ATOM 192 CG ASN A 15 1.256 -1.732 -3.052 1.00 0.00 C ATOM 193 OD1 ASN A 15 0.409 -2.181 -3.806 1.00 0.00 O ATOM 194 ND2 ASN A 15 1.892 -2.455 -2.134 1.00 0.00 N ATOM 0 H ASN A 15 2.470 -0.480 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.034 0.184 -4.315 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.763 -0.194 -3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.406 0.222 -2.151 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.681 -3.447 -2.030 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.591 -2.017 -1.534 1.00 0.00 H new ATOM 201 N ARG A 16 2.020 2.584 -4.834 1.00 0.00 N ATOM 202 CA ARG A 16 2.263 4.012 -4.725 1.00 0.00 C ATOM 203 C ARG A 16 1.047 4.797 -5.219 1.00 0.00 C ATOM 204 O ARG A 16 0.748 4.799 -6.412 1.00 0.00 O ATOM 205 CB ARG A 16 3.493 4.425 -5.536 1.00 0.00 C ATOM 206 CG ARG A 16 4.389 5.369 -4.733 1.00 0.00 C ATOM 207 CD ARG A 16 5.081 6.381 -5.649 1.00 0.00 C ATOM 208 NE ARG A 16 6.458 6.637 -5.171 1.00 0.00 N ATOM 209 CZ ARG A 16 7.425 7.180 -5.922 1.00 0.00 C ATOM 210 NH1 ARG A 16 7.172 7.528 -7.191 1.00 0.00 N ATOM 211 NH2 ARG A 16 8.645 7.376 -5.405 1.00 0.00 N ATOM 0 H ARG A 16 2.550 2.116 -5.569 1.00 0.00 H new ATOM 0 HA ARG A 16 2.443 4.238 -3.674 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.058 3.538 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.178 4.914 -6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.793 5.896 -3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.138 4.792 -4.191 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.106 6.001 -6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.515 7.312 -5.669 1.00 0.00 H new ATOM 0 HE ARG A 16 6.685 6.384 -4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.243 7.379 -7.585 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.908 7.942 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.838 7.112 -4.439 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.381 7.790 -5.977 1.00 0.00 H new ATOM 225 N ILE A 17 0.378 5.446 -4.277 1.00 0.00 N ATOM 226 CA ILE A 17 -0.799 6.233 -4.601 1.00 0.00 C ATOM 227 C ILE A 17 -0.452 7.721 -4.515 1.00 0.00 C ATOM 228 O ILE A 17 0.260 8.144 -3.606 1.00 0.00 O ATOM 229 CB ILE A 17 -1.978 5.824 -3.716 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.310 6.189 -4.375 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.847 6.427 -2.316 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.432 5.270 -3.887 1.00 0.00 C ATOM 0 H ILE A 17 0.629 5.443 -3.288 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.117 6.038 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.961 4.740 -3.603 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.560 7.226 -4.149 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.217 6.112 -5.458 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.698 6.121 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.925 6.076 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.825 7.514 -2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.368 5.550 -4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.190 4.237 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.538 5.367 -2.807 1.00 0.00 H new ATOM 244 N CYS A 18 -0.971 8.473 -5.474 1.00 0.00 N ATOM 245 CA CYS A 18 -0.725 9.905 -5.518 1.00 0.00 C ATOM 246 C CYS A 18 -2.062 10.615 -5.740 1.00 0.00 C ATOM 247 O CYS A 18 -2.992 10.035 -6.297 1.00 0.00 O ATOM 248 CB CYS A 18 0.301 10.270 -6.592 1.00 0.00 C ATOM 249 SG CYS A 18 -0.324 9.790 -8.244 1.00 0.00 S ATOM 0 H CYS A 18 -1.561 8.118 -6.227 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.294 10.232 -4.572 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.501 11.341 -6.567 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.246 9.765 -6.391 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.221 10.799 -9.057 1.00 0.00 H new ATOM 255 N GLY A 19 -2.114 11.862 -5.294 1.00 0.00 N ATOM 256 CA GLY A 19 -3.321 12.658 -5.438 1.00 0.00 C ATOM 257 C GLY A 19 -3.304 13.856 -4.487 1.00 0.00 C ATOM 258 O GLY A 19 -2.776 13.767 -3.379 1.00 0.00 O ATOM 0 H GLY A 19 -1.340 12.340 -4.833 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.410 13.007 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.195 12.040 -5.234 1.00 0.00 H new ATOM 262 N PHE A 20 -3.889 14.950 -4.954 1.00 0.00 N ATOM 263 CA PHE A 20 -3.947 16.164 -4.158 1.00 0.00 C ATOM 264 C PHE A 20 -4.972 16.032 -3.030 1.00 0.00 C ATOM 265 O PHE A 20 -6.173 15.951 -3.284 1.00 0.00 O ATOM 266 CB PHE A 20 -4.381 17.293 -5.096 1.00 0.00 C ATOM 267 CG PHE A 20 -3.311 17.708 -6.108 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.287 18.514 -5.721 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.384 17.271 -7.393 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.293 18.900 -6.659 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.391 17.656 -8.332 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.366 18.462 -7.945 1.00 0.00 C ATOM 0 H PHE A 20 -4.326 15.021 -5.873 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.974 16.360 -3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.275 16.980 -5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.658 18.162 -4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.229 18.861 -4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.198 16.631 -7.700 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.480 19.541 -6.352 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.450 17.309 -9.353 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.610 18.754 -8.659 1.00 0.00 H new ATOM 282 N LEU A 21 -4.460 16.015 -1.808 1.00 0.00 N ATOM 283 CA LEU A 21 -5.316 15.895 -0.640 1.00 0.00 C ATOM 284 C LEU A 21 -5.338 17.227 0.111 1.00 0.00 C ATOM 285 O LEU A 21 -4.544 18.121 -0.180 1.00 0.00 O ATOM 286 CB LEU A 21 -4.880 14.709 0.223 1.00 0.00 C ATOM 287 CG LEU A 21 -5.233 13.321 -0.315 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.635 12.223 0.566 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.747 13.165 -0.477 1.00 0.00 C ATOM 0 H LEU A 21 -3.463 16.082 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.342 15.682 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.799 14.761 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.329 14.819 1.210 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.790 13.216 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.901 11.247 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.550 12.324 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.027 12.315 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.971 12.170 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.232 13.299 0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.117 13.915 -1.176 1.00 0.00 H new ATOM 301 N ASP A 22 -6.254 17.319 1.063 1.00 0.00 N ATOM 302 CA ASP A 22 -6.390 18.527 1.858 1.00 0.00 C ATOM 303 C ASP A 22 -6.197 18.184 3.337 1.00 0.00 C ATOM 304 O ASP A 22 -7.149 17.812 4.021 1.00 0.00 O ATOM 305 CB ASP A 22 -7.781 19.142 1.693 1.00 0.00 C ATOM 306 CG ASP A 22 -7.840 20.375 0.789 1.00 0.00 C ATOM 307 OD1 ASP A 22 -6.780 21.019 0.639 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.944 20.645 0.269 1.00 0.00 O ATOM 0 H ASP A 22 -6.910 16.576 1.302 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.638 19.240 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.452 18.383 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.161 19.414 2.678 1.00 0.00 H new ATOM 313 N ILE A 23 -4.958 18.321 3.787 1.00 0.00 N ATOM 314 CA ILE A 23 -4.628 18.031 5.171 1.00 0.00 C ATOM 315 C ILE A 23 -4.816 19.295 6.012 1.00 0.00 C ATOM 316 O ILE A 23 -4.235 20.337 5.711 1.00 0.00 O ATOM 317 CB ILE A 23 -3.226 17.428 5.273 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.832 17.198 6.733 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.203 18.291 4.532 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.698 16.176 6.841 1.00 0.00 C ATOM 0 H ILE A 23 -4.171 18.629 3.217 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.304 17.277 5.573 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.238 16.453 4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.520 18.141 7.182 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.697 16.847 7.296 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.215 17.840 4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.478 18.359 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.186 19.290 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.437 16.031 7.889 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.021 15.227 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.826 16.541 6.298 1.00 0.00 H new ATOM 332 N GLU A 24 -5.629 19.162 7.049 1.00 0.00 N ATOM 333 CA GLU A 24 -5.901 20.281 7.936 1.00 0.00 C ATOM 334 C GLU A 24 -4.615 20.730 8.633 1.00 0.00 C ATOM 335 O GLU A 24 -4.027 19.975 9.405 1.00 0.00 O ATOM 336 CB GLU A 24 -6.982 19.922 8.957 1.00 0.00 C ATOM 337 CG GLU A 24 -7.422 21.156 9.747 1.00 0.00 C ATOM 338 CD GLU A 24 -8.355 20.767 10.896 1.00 0.00 C ATOM 339 OE1 GLU A 24 -9.359 20.083 10.605 1.00 0.00 O ATOM 340 OE2 GLU A 24 -8.042 21.164 12.039 1.00 0.00 O ATOM 0 H GLU A 24 -6.109 18.296 7.295 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.276 21.111 7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.841 19.488 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.603 19.164 9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.546 21.670 10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.929 21.856 9.083 1.00 0.00 H new ATOM 347 N ASP A 25 -4.217 21.958 8.335 1.00 0.00 N ATOM 348 CA ASP A 25 -3.011 22.517 8.924 1.00 0.00 C ATOM 349 C ASP A 25 -3.322 23.011 10.338 1.00 0.00 C ATOM 350 O ASP A 25 -4.383 23.583 10.581 1.00 0.00 O ATOM 351 CB ASP A 25 -2.500 23.706 8.109 1.00 0.00 C ATOM 352 CG ASP A 25 -1.128 24.237 8.529 1.00 0.00 C ATOM 353 OD1 ASP A 25 -0.739 23.953 9.682 1.00 0.00 O ATOM 354 OD2 ASP A 25 -0.500 24.914 7.687 1.00 0.00 O ATOM 0 H ASP A 25 -4.708 22.582 7.694 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.250 21.737 8.939 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.454 23.415 7.060 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.225 24.517 8.184 1.00 0.00 H new ATOM 359 N ASN A 26 -2.376 22.773 11.235 1.00 0.00 N ATOM 360 CA ASN A 26 -2.535 23.187 12.619 1.00 0.00 C ATOM 361 C ASN A 26 -2.590 24.715 12.686 1.00 0.00 C ATOM 362 O ASN A 26 -2.964 25.281 13.712 1.00 0.00 O ATOM 363 CB ASN A 26 -1.355 22.719 13.473 1.00 0.00 C ATOM 364 CG ASN A 26 -1.764 22.572 14.940 1.00 0.00 C ATOM 365 OD1 ASN A 26 -2.548 23.342 15.472 1.00 0.00 O ATOM 366 ND2 ASN A 26 -1.192 21.545 15.561 1.00 0.00 N ATOM 0 H ASN A 26 -1.497 22.299 11.030 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.455 22.743 13.000 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.986 21.765 13.097 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.536 23.433 13.390 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.400 21.362 16.543 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.545 20.940 15.056 1.00 0.00 H new ATOM 373 N GLU A 27 -2.213 25.338 11.580 1.00 0.00 N ATOM 374 CA GLU A 27 -2.215 26.789 11.500 1.00 0.00 C ATOM 375 C GLU A 27 -3.642 27.326 11.635 1.00 0.00 C ATOM 376 O GLU A 27 -3.871 28.327 12.311 1.00 0.00 O ATOM 377 CB GLU A 27 -1.569 27.268 10.199 1.00 0.00 C ATOM 378 CG GLU A 27 -0.043 27.262 10.309 1.00 0.00 C ATOM 379 CD GLU A 27 0.561 28.490 9.624 1.00 0.00 C ATOM 380 OE1 GLU A 27 0.705 29.516 10.324 1.00 0.00 O ATOM 381 OE2 GLU A 27 0.865 28.374 8.418 1.00 0.00 O ATOM 0 H GLU A 27 -1.904 24.865 10.731 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.621 27.180 12.326 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.880 26.625 9.376 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.916 28.274 9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.249 27.246 11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.354 26.355 9.854 1.00 0.00 H new ATOM 388 N ASN A 28 -4.563 26.636 10.979 1.00 0.00 N ATOM 389 CA ASN A 28 -5.961 27.031 11.017 1.00 0.00 C ATOM 390 C ASN A 28 -6.835 25.784 11.168 1.00 0.00 C ATOM 391 O ASN A 28 -7.066 25.062 10.199 1.00 0.00 O ATOM 392 CB ASN A 28 -6.368 27.740 9.723 1.00 0.00 C ATOM 393 CG ASN A 28 -6.322 29.259 9.893 1.00 0.00 C ATOM 394 OD1 ASN A 28 -7.120 29.856 10.598 1.00 0.00 O ATOM 395 ND2 ASN A 28 -5.347 29.851 9.209 1.00 0.00 N ATOM 0 H ASN A 28 -4.369 25.806 10.418 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.097 27.710 11.859 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.701 27.441 8.915 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.374 27.433 9.437 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.233 30.864 9.256 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.713 29.292 8.638 1.00 0.00 H new ATOM 402 N SER A 29 -7.298 25.570 12.391 1.00 0.00 N ATOM 403 CA SER A 29 -8.141 24.423 12.682 1.00 0.00 C ATOM 404 C SER A 29 -9.503 24.589 12.004 1.00 0.00 C ATOM 405 O SER A 29 -10.510 24.814 12.674 1.00 0.00 O ATOM 406 CB SER A 29 -8.318 24.237 14.190 1.00 0.00 C ATOM 407 OG SER A 29 -7.625 23.089 14.672 1.00 0.00 O ATOM 0 H SER A 29 -7.105 26.172 13.192 1.00 0.00 H new ATOM 0 HA SER A 29 -7.652 23.532 12.289 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.955 25.124 14.710 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.379 24.144 14.422 1.00 0.00 H new ATOM 0 HG SER A 29 -7.762 23.006 15.639 1.00 0.00 H new ATOM 413 N GLY A 30 -9.490 24.473 10.684 1.00 0.00 N ATOM 414 CA GLY A 30 -10.711 24.608 9.909 1.00 0.00 C ATOM 415 C GLY A 30 -10.409 24.631 8.410 1.00 0.00 C ATOM 416 O GLY A 30 -11.170 24.087 7.611 1.00 0.00 O ATOM 0 H GLY A 30 -8.653 24.287 10.132 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.383 23.780 10.136 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.227 25.525 10.194 1.00 0.00 H new ATOM 420 N LYS A 31 -9.296 25.266 8.072 1.00 0.00 N ATOM 421 CA LYS A 31 -8.884 25.367 6.683 1.00 0.00 C ATOM 422 C LYS A 31 -7.806 24.320 6.398 1.00 0.00 C ATOM 423 O LYS A 31 -6.937 24.074 7.233 1.00 0.00 O ATOM 424 CB LYS A 31 -8.452 26.798 6.355 1.00 0.00 C ATOM 425 CG LYS A 31 -8.006 26.916 4.896 1.00 0.00 C ATOM 426 CD LYS A 31 -7.228 28.212 4.663 1.00 0.00 C ATOM 427 CE LYS A 31 -8.074 29.229 3.894 1.00 0.00 C ATOM 428 NZ LYS A 31 -8.077 28.913 2.448 1.00 0.00 N ATOM 0 H LYS A 31 -8.667 25.716 8.737 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.722 25.151 6.021 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.279 27.483 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.636 27.095 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.383 26.061 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.878 26.889 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.925 28.636 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.316 27.998 4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.095 29.224 4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.680 30.233 4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.656 29.613 1.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.103 28.941 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.475 27.963 2.301 1.00 0.00 H new ATOM 442 N PHE A 32 -7.897 23.730 5.215 1.00 0.00 N ATOM 443 CA PHE A 32 -6.941 22.714 4.809 1.00 0.00 C ATOM 444 C PHE A 32 -5.988 23.254 3.741 1.00 0.00 C ATOM 445 O PHE A 32 -6.360 24.123 2.954 1.00 0.00 O ATOM 446 CB PHE A 32 -7.744 21.553 4.219 1.00 0.00 C ATOM 447 CG PHE A 32 -8.793 20.976 5.171 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.962 21.640 5.379 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.558 19.798 5.809 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.936 21.104 6.262 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.532 19.262 6.692 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.700 19.926 6.900 1.00 0.00 C ATOM 0 H PHE A 32 -8.619 23.936 4.524 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.344 22.401 5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.241 21.893 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.056 20.759 3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.149 22.575 4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.630 19.270 5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.864 21.631 6.427 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.345 18.327 7.199 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.441 19.518 7.572 1.00 0.00 H new ATOM 462 N LEU A 33 -4.777 22.717 3.748 1.00 0.00 N ATOM 463 CA LEU A 33 -3.767 23.134 2.789 1.00 0.00 C ATOM 464 C LEU A 33 -3.644 22.075 1.691 1.00 0.00 C ATOM 465 O LEU A 33 -3.342 20.916 1.973 1.00 0.00 O ATOM 466 CB LEU A 33 -2.447 23.439 3.500 1.00 0.00 C ATOM 467 CG LEU A 33 -2.424 24.706 4.356 1.00 0.00 C ATOM 468 CD1 LEU A 33 -1.012 25.292 4.431 1.00 0.00 C ATOM 469 CD2 LEU A 33 -3.442 25.729 3.849 1.00 0.00 C ATOM 0 H LEU A 33 -4.472 21.997 4.402 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.063 24.064 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.195 22.590 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.662 23.518 2.748 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.716 24.437 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.024 26.192 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.337 24.559 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.668 25.542 3.427 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.405 26.620 4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.205 25.999 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.442 25.298 3.890 1.00 0.00 H new ATOM 481 N ARG A 34 -3.885 22.511 0.464 1.00 0.00 N ATOM 482 CA ARG A 34 -3.806 21.615 -0.678 1.00 0.00 C ATOM 483 C ARG A 34 -2.373 21.106 -0.854 1.00 0.00 C ATOM 484 O ARG A 34 -1.497 21.847 -1.295 1.00 0.00 O ATOM 485 CB ARG A 34 -4.251 22.317 -1.962 1.00 0.00 C ATOM 486 CG ARG A 34 -3.906 21.479 -3.194 1.00 0.00 C ATOM 487 CD ARG A 34 -2.842 22.171 -4.048 1.00 0.00 C ATOM 488 NE ARG A 34 -2.745 21.511 -5.369 1.00 0.00 N ATOM 489 CZ ARG A 34 -3.589 21.737 -6.385 1.00 0.00 C ATOM 490 NH1 ARG A 34 -4.597 22.607 -6.238 1.00 0.00 N ATOM 491 NH2 ARG A 34 -3.425 21.093 -7.549 1.00 0.00 N ATOM 0 H ARG A 34 -4.135 23.473 0.235 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.474 20.775 -0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.326 22.496 -1.929 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.768 23.291 -2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.546 20.499 -2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.804 21.314 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.095 23.224 -4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.877 22.134 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.989 20.842 -5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.722 23.098 -5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.239 22.779 -7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.658 20.431 -7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.068 21.265 -8.322 1.00 0.00 H new ATOM 505 N ARG A 35 -2.180 19.844 -0.499 1.00 0.00 N ATOM 506 CA ARG A 35 -0.869 19.227 -0.612 1.00 0.00 C ATOM 507 C ARG A 35 -0.967 17.911 -1.387 1.00 0.00 C ATOM 508 O ARG A 35 -1.881 17.120 -1.160 1.00 0.00 O ATOM 509 CB ARG A 35 -0.268 18.955 0.768 1.00 0.00 C ATOM 510 CG ARG A 35 0.915 19.885 1.044 1.00 0.00 C ATOM 511 CD ARG A 35 0.540 21.344 0.777 1.00 0.00 C ATOM 512 NE ARG A 35 1.000 22.198 1.894 1.00 0.00 N ATOM 513 CZ ARG A 35 0.947 23.536 1.888 1.00 0.00 C ATOM 514 NH1 ARG A 35 0.455 24.182 0.822 1.00 0.00 N ATOM 515 NH2 ARG A 35 1.388 24.229 2.947 1.00 0.00 N ATOM 0 H ARG A 35 -2.909 19.232 -0.133 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.221 19.921 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.031 19.094 1.534 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.059 17.917 0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.237 19.772 2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.759 19.602 0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.991 21.679 -0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.540 21.435 0.660 1.00 0.00 H new ATOM 0 HE ARG A 35 1.382 21.739 2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.121 23.655 0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.415 25.201 0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.764 23.737 3.758 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.348 25.248 2.942 1.00 0.00 H new ATOM 529 N TYR A 36 -0.013 17.718 -2.285 1.00 0.00 N ATOM 530 CA TYR A 36 0.020 16.512 -3.095 1.00 0.00 C ATOM 531 C TYR A 36 0.732 15.376 -2.357 1.00 0.00 C ATOM 532 O TYR A 36 1.958 15.280 -2.394 1.00 0.00 O ATOM 533 CB TYR A 36 0.819 16.869 -4.350 1.00 0.00 C ATOM 534 CG TYR A 36 0.762 15.804 -5.447 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.371 15.675 -6.226 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.843 14.972 -5.659 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.425 14.673 -7.258 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.789 13.970 -6.692 1.00 0.00 C ATOM 539 CZ TYR A 36 0.658 13.870 -7.440 1.00 0.00 C ATOM 540 OH TYR A 36 0.607 12.924 -8.416 1.00 0.00 O ATOM 0 H TYR A 36 0.744 18.377 -2.470 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.991 16.176 -3.325 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.444 17.810 -4.752 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.860 17.034 -4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.217 16.326 -6.061 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.729 15.073 -5.050 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.305 14.561 -7.874 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.628 13.313 -6.869 1.00 0.00 H new ATOM 0 HH TYR A 36 1.450 12.425 -8.432 1.00 0.00 H new ATOM 550 N PHE A 37 -0.067 14.545 -1.705 1.00 0.00 N ATOM 551 CA PHE A 37 0.471 13.420 -0.960 1.00 0.00 C ATOM 552 C PHE A 37 0.846 12.270 -1.898 1.00 0.00 C ATOM 553 O PHE A 37 0.251 12.114 -2.962 1.00 0.00 O ATOM 554 CB PHE A 37 -0.629 12.947 -0.007 1.00 0.00 C ATOM 555 CG PHE A 37 -0.782 13.812 1.245 1.00 0.00 C ATOM 556 CD1 PHE A 37 -0.927 15.159 1.127 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.773 13.235 2.476 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.070 15.963 2.289 1.00 0.00 C ATOM 559 CE2 PHE A 37 -0.915 14.038 3.638 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.061 15.385 3.520 1.00 0.00 C ATOM 0 H PHE A 37 -1.083 14.628 -1.677 1.00 0.00 H new ATOM 0 HA PHE A 37 1.370 13.725 -0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.578 12.931 -0.543 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.417 11.922 0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.933 15.618 0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.658 12.165 2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.186 17.033 2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.907 13.579 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.170 15.996 4.404 1.00 0.00 H new ATOM 570 N ILE A 38 1.832 11.496 -1.468 1.00 0.00 N ATOM 571 CA ILE A 38 2.294 10.366 -2.256 1.00 0.00 C ATOM 572 C ILE A 38 2.682 9.221 -1.319 1.00 0.00 C ATOM 573 O ILE A 38 3.672 9.315 -0.596 1.00 0.00 O ATOM 574 CB ILE A 38 3.418 10.795 -3.201 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.856 11.502 -4.437 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.304 9.605 -3.575 1.00 0.00 C ATOM 577 CD1 ILE A 38 3.977 12.131 -5.266 1.00 0.00 C ATOM 0 H ILE A 38 2.324 11.629 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 38 1.494 9.997 -2.897 1.00 0.00 H new ATOM 0 HB ILE A 38 4.048 11.514 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.303 10.789 -5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.150 12.273 -4.130 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.095 9.937 -4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.748 9.184 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.701 8.845 -4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.550 12.627 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.512 12.861 -4.659 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.668 11.354 -5.592 1.00 0.00 H new ATOM 589 N LEU A 39 1.881 8.166 -1.362 1.00 0.00 N ATOM 590 CA LEU A 39 2.128 7.004 -0.525 1.00 0.00 C ATOM 591 C LEU A 39 3.318 6.221 -1.086 1.00 0.00 C ATOM 592 O LEU A 39 3.154 5.392 -1.979 1.00 0.00 O ATOM 593 CB LEU A 39 0.855 6.168 -0.380 1.00 0.00 C ATOM 594 CG LEU A 39 0.761 5.305 0.880 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.644 6.174 2.133 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.388 4.300 0.771 1.00 0.00 C ATOM 0 H LEU A 39 1.061 8.092 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 39 2.396 7.312 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.002 6.841 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.770 5.517 -1.250 1.00 0.00 H new ATOM 0 HG LEU A 39 1.684 4.732 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.579 5.535 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.521 6.816 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.252 6.791 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.433 3.699 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.329 4.835 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.222 3.649 -0.087 1.00 0.00 H new ATOM 608 N ASP A 40 4.488 6.513 -0.538 1.00 0.00 N ATOM 609 CA ASP A 40 5.704 5.847 -0.973 1.00 0.00 C ATOM 610 C ASP A 40 5.984 4.656 -0.054 1.00 0.00 C ATOM 611 O ASP A 40 6.305 4.835 1.120 1.00 0.00 O ATOM 612 CB ASP A 40 6.905 6.792 -0.901 1.00 0.00 C ATOM 613 CG ASP A 40 6.883 7.779 0.267 1.00 0.00 C ATOM 614 OD1 ASP A 40 5.946 8.605 0.294 1.00 0.00 O ATOM 615 OD2 ASP A 40 7.804 7.685 1.108 1.00 0.00 O ATOM 0 H ASP A 40 4.620 7.201 0.203 1.00 0.00 H new ATOM 0 HA ASP A 40 5.561 5.523 -2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.814 6.195 -0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.961 7.356 -1.832 1.00 0.00 H new ATOM 620 N THR A 41 5.853 3.467 -0.623 1.00 0.00 N ATOM 621 CA THR A 41 6.088 2.247 0.130 1.00 0.00 C ATOM 622 C THR A 41 7.589 1.989 0.275 1.00 0.00 C ATOM 623 O THR A 41 8.049 1.549 1.327 1.00 0.00 O ATOM 624 CB THR A 41 5.341 1.109 -0.568 1.00 0.00 C ATOM 625 OG1 THR A 41 6.162 0.791 -1.689 1.00 0.00 O ATOM 626 CG2 THR A 41 4.021 1.569 -1.191 1.00 0.00 C ATOM 0 H THR A 41 5.587 3.322 -1.597 1.00 0.00 H new ATOM 0 HA THR A 41 5.705 2.331 1.147 1.00 0.00 H new ATOM 0 HB THR A 41 5.145 0.311 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.753 0.060 -2.197 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.532 0.723 -1.673 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.371 1.969 -0.413 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.219 2.344 -1.932 1.00 0.00 H new ATOM 634 N GLN A 42 8.312 2.275 -0.798 1.00 0.00 N ATOM 635 CA GLN A 42 9.751 2.081 -0.805 1.00 0.00 C ATOM 636 C GLN A 42 10.403 2.901 0.311 1.00 0.00 C ATOM 637 O GLN A 42 11.308 2.420 0.992 1.00 0.00 O ATOM 638 CB GLN A 42 10.347 2.439 -2.167 1.00 0.00 C ATOM 639 CG GLN A 42 9.722 1.593 -3.279 1.00 0.00 C ATOM 640 CD GLN A 42 10.752 1.263 -4.362 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.706 0.534 -4.146 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.506 1.840 -5.535 1.00 0.00 N ATOM 0 H GLN A 42 7.927 2.640 -1.669 1.00 0.00 H new ATOM 0 HA GLN A 42 9.956 1.026 -0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.182 3.496 -2.373 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.426 2.282 -2.149 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.323 0.670 -2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.883 2.130 -3.722 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.688 2.439 -5.647 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.135 1.683 -6.322 1.00 0.00 H new ATOM 651 N ALA A 43 9.916 4.123 0.464 1.00 0.00 N ATOM 652 CA ALA A 43 10.440 5.014 1.486 1.00 0.00 C ATOM 653 C ALA A 43 9.825 4.649 2.839 1.00 0.00 C ATOM 654 O ALA A 43 10.387 4.967 3.886 1.00 0.00 O ATOM 655 CB ALA A 43 10.159 6.466 1.090 1.00 0.00 C ATOM 0 H ALA A 43 9.165 4.518 -0.102 1.00 0.00 H new ATOM 0 HA ALA A 43 11.521 4.903 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.552 7.135 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.641 6.683 0.137 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.084 6.616 0.995 1.00 0.00 H new ATOM 661 N ASN A 44 8.680 3.987 2.773 1.00 0.00 N ATOM 662 CA ASN A 44 7.983 3.575 3.979 1.00 0.00 C ATOM 663 C ASN A 44 7.573 4.816 4.775 1.00 0.00 C ATOM 664 O ASN A 44 7.538 4.786 6.004 1.00 0.00 O ATOM 665 CB ASN A 44 8.884 2.718 4.870 1.00 0.00 C ATOM 666 CG ASN A 44 8.108 2.170 6.070 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.304 1.259 5.958 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.391 2.775 7.220 1.00 0.00 N ATOM 0 H ASN A 44 8.217 3.725 1.903 1.00 0.00 H new ATOM 0 HA ASN A 44 7.111 2.993 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.295 1.892 4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.728 3.313 5.219 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.924 2.483 8.078 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.075 3.531 7.244 1.00 0.00 H new ATOM 675 N CYS A 45 7.274 5.878 4.042 1.00 0.00 N ATOM 676 CA CYS A 45 6.868 7.127 4.664 1.00 0.00 C ATOM 677 C CYS A 45 5.920 7.854 3.708 1.00 0.00 C ATOM 678 O CYS A 45 5.748 7.438 2.563 1.00 0.00 O ATOM 679 CB CYS A 45 8.074 7.990 5.038 1.00 0.00 C ATOM 680 SG CYS A 45 9.231 7.031 6.082 1.00 0.00 S ATOM 0 H CYS A 45 7.305 5.900 3.023 1.00 0.00 H new ATOM 0 HA CYS A 45 6.349 6.919 5.600 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.582 8.330 4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.743 8.881 5.572 1.00 0.00 H new ATOM 0 HG CYS A 45 8.627 5.976 6.543 1.00 0.00 H new ATOM 686 N LEU A 46 5.329 8.927 4.213 1.00 0.00 N ATOM 687 CA LEU A 46 4.403 9.715 3.419 1.00 0.00 C ATOM 688 C LEU A 46 5.022 11.085 3.132 1.00 0.00 C ATOM 689 O LEU A 46 5.426 11.793 4.053 1.00 0.00 O ATOM 690 CB LEU A 46 3.038 9.789 4.105 1.00 0.00 C ATOM 691 CG LEU A 46 1.892 10.348 3.259 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.280 11.685 2.624 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.434 9.329 2.213 1.00 0.00 C ATOM 0 H LEU A 46 5.474 9.269 5.163 1.00 0.00 H new ATOM 0 HA LEU A 46 4.225 9.237 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.764 8.787 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.136 10.404 5.000 1.00 0.00 H new ATOM 0 HG LEU A 46 1.044 10.538 3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.448 12.060 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.519 12.404 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.150 11.544 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.619 9.752 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.267 9.084 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.089 8.424 2.713 1.00 0.00 H new ATOM 705 N LEU A 47 5.077 11.417 1.850 1.00 0.00 N ATOM 706 CA LEU A 47 5.640 12.689 1.430 1.00 0.00 C ATOM 707 C LEU A 47 4.605 13.451 0.601 1.00 0.00 C ATOM 708 O LEU A 47 4.118 12.945 -0.409 1.00 0.00 O ATOM 709 CB LEU A 47 6.970 12.473 0.705 1.00 0.00 C ATOM 710 CG LEU A 47 7.964 11.533 1.391 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.891 10.874 0.369 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.744 12.264 2.486 1.00 0.00 C ATOM 0 H LEU A 47 4.741 10.827 1.089 1.00 0.00 H new ATOM 0 HA LEU A 47 5.873 13.307 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.759 12.082 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.450 13.443 0.572 1.00 0.00 H new ATOM 0 HG LEU A 47 7.401 10.735 1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.587 10.211 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.298 10.297 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.449 11.643 -0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.443 11.573 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.296 13.095 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.050 12.645 3.235 1.00 0.00 H new ATOM 724 N TRP A 48 4.298 14.656 1.059 1.00 0.00 N ATOM 725 CA TRP A 48 3.329 15.493 0.373 1.00 0.00 C ATOM 726 C TRP A 48 4.046 16.762 -0.092 1.00 0.00 C ATOM 727 O TRP A 48 4.699 17.437 0.702 1.00 0.00 O ATOM 728 CB TRP A 48 2.122 15.782 1.268 1.00 0.00 C ATOM 729 CG TRP A 48 2.459 16.583 2.527 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.755 17.887 2.620 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.522 16.077 3.877 1.00 0.00 C ATOM 732 NE1 TRP A 48 3.004 18.256 3.927 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.858 17.121 4.715 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.303 14.780 4.373 1.00 0.00 C ATOM 735 CZ2 TRP A 48 3.004 16.976 6.100 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.454 14.651 5.759 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.791 15.692 6.617 1.00 0.00 C ATOM 0 H TRP A 48 4.704 15.072 1.897 1.00 0.00 H new ATOM 0 HA TRP A 48 2.927 14.980 -0.501 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.377 16.329 0.690 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.666 14.837 1.562 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.794 18.563 1.779 1.00 0.00 H new ATOM 0 HE1 TRP A 48 3.250 19.190 4.254 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.039 13.949 3.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 3.267 17.809 6.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.298 13.674 6.192 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.888 15.511 7.677 1.00 0.00 H new ATOM 748 N TYR A 49 3.900 17.049 -1.378 1.00 0.00 N ATOM 749 CA TYR A 49 4.525 18.225 -1.958 1.00 0.00 C ATOM 750 C TYR A 49 3.472 19.222 -2.446 1.00 0.00 C ATOM 751 O TYR A 49 2.382 18.827 -2.857 1.00 0.00 O ATOM 752 CB TYR A 49 5.332 17.725 -3.158 1.00 0.00 C ATOM 753 CG TYR A 49 6.001 16.367 -2.936 1.00 0.00 C ATOM 754 CD1 TYR A 49 5.318 15.205 -3.233 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.287 16.305 -2.440 1.00 0.00 C ATOM 756 CE1 TYR A 49 5.948 13.927 -3.024 1.00 0.00 C ATOM 757 CE2 TYR A 49 7.917 15.027 -2.231 1.00 0.00 C ATOM 758 CZ TYR A 49 7.216 13.901 -2.533 1.00 0.00 C ATOM 759 OH TYR A 49 7.811 12.694 -2.336 1.00 0.00 O ATOM 0 H TYR A 49 3.358 16.487 -2.034 1.00 0.00 H new ATOM 0 HA TYR A 49 5.145 18.733 -1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.673 17.656 -4.023 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.099 18.461 -3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.312 15.254 -3.622 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.821 17.215 -2.209 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.425 13.010 -3.252 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.923 14.964 -1.843 1.00 0.00 H new ATOM 0 HH TYR A 49 8.715 12.829 -1.983 1.00 0.00 H new ATOM 769 N MET A 50 3.834 20.495 -2.383 1.00 0.00 N ATOM 770 CA MET A 50 2.934 21.551 -2.813 1.00 0.00 C ATOM 771 C MET A 50 2.319 21.226 -4.175 1.00 0.00 C ATOM 772 O MET A 50 1.176 21.591 -4.447 1.00 0.00 O ATOM 773 CB MET A 50 3.702 22.872 -2.901 1.00 0.00 C ATOM 774 CG MET A 50 4.213 23.302 -1.525 1.00 0.00 C ATOM 775 SD MET A 50 4.177 25.082 -1.390 1.00 0.00 S ATOM 776 CE MET A 50 3.199 25.260 0.093 1.00 0.00 C ATOM 0 H MET A 50 4.739 20.819 -2.041 1.00 0.00 H new ATOM 0 HA MET A 50 2.129 21.637 -2.083 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.542 22.763 -3.587 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.054 23.647 -3.311 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.597 22.857 -0.744 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.229 22.938 -1.375 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.679 25.974 0.762 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.204 25.620 -0.168 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.116 24.295 0.592 1.00 0.00 H new ATOM 786 N ASP A 51 3.104 20.544 -4.996 1.00 0.00 N ATOM 787 CA ASP A 51 2.650 20.165 -6.324 1.00 0.00 C ATOM 788 C ASP A 51 3.397 18.908 -6.774 1.00 0.00 C ATOM 789 O ASP A 51 4.397 18.525 -6.168 1.00 0.00 O ATOM 790 CB ASP A 51 2.934 21.273 -7.339 1.00 0.00 C ATOM 791 CG ASP A 51 1.758 22.211 -7.619 1.00 0.00 C ATOM 792 OD1 ASP A 51 1.561 23.134 -6.800 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.083 21.983 -8.646 1.00 0.00 O ATOM 0 H ASP A 51 4.052 20.244 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 51 1.576 19.987 -6.276 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.775 21.866 -6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.245 20.814 -8.278 1.00 0.00 H new ATOM 798 N ASN A 52 2.883 18.301 -7.833 1.00 0.00 N ATOM 799 CA ASN A 52 3.489 17.095 -8.372 1.00 0.00 C ATOM 800 C ASN A 52 5.001 17.296 -8.486 1.00 0.00 C ATOM 801 O ASN A 52 5.467 18.410 -8.720 1.00 0.00 O ATOM 802 CB ASN A 52 2.947 16.782 -9.768 1.00 0.00 C ATOM 803 CG ASN A 52 1.645 15.982 -9.685 1.00 0.00 C ATOM 804 OD1 ASN A 52 0.741 16.296 -8.929 1.00 0.00 O ATOM 805 ND2 ASN A 52 1.602 14.933 -10.501 1.00 0.00 N ATOM 0 H ASN A 52 2.054 18.622 -8.333 1.00 0.00 H new ATOM 0 HA ASN A 52 3.252 16.270 -7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.773 17.711 -10.311 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.689 16.217 -10.332 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.776 14.335 -10.519 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.395 14.727 -11.109 1.00 0.00 H new ATOM 812 N PRO A 53 5.745 16.172 -8.311 1.00 0.00 N ATOM 813 CA PRO A 53 7.196 16.214 -8.392 1.00 0.00 C ATOM 814 C PRO A 53 7.660 16.337 -9.844 1.00 0.00 C ATOM 815 O PRO A 53 8.846 16.536 -10.106 1.00 0.00 O ATOM 816 CB PRO A 53 7.664 14.931 -7.725 1.00 0.00 C ATOM 817 CG PRO A 53 6.460 14.004 -7.712 1.00 0.00 C ATOM 818 CD PRO A 53 5.228 14.835 -8.033 1.00 0.00 C ATOM 0 HA PRO A 53 7.621 17.085 -7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.494 14.486 -8.274 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.019 15.124 -6.713 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.584 13.207 -8.445 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.356 13.528 -6.737 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.691 14.432 -8.891 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.529 14.847 -7.197 1.00 0.00 H new ATOM 826 N GLN A 54 6.702 16.214 -10.751 1.00 0.00 N ATOM 827 CA GLN A 54 6.998 16.309 -12.171 1.00 0.00 C ATOM 828 C GLN A 54 7.117 17.775 -12.591 1.00 0.00 C ATOM 829 O GLN A 54 7.614 18.075 -13.676 1.00 0.00 O ATOM 830 CB GLN A 54 5.937 15.585 -13.002 1.00 0.00 C ATOM 831 CG GLN A 54 6.381 14.159 -13.335 1.00 0.00 C ATOM 832 CD GLN A 54 5.506 13.555 -14.435 1.00 0.00 C ATOM 833 OE1 GLN A 54 4.718 12.651 -14.212 1.00 0.00 O ATOM 834 NE2 GLN A 54 5.688 14.104 -15.633 1.00 0.00 N ATOM 0 H GLN A 54 5.720 16.049 -10.530 1.00 0.00 H new ATOM 0 HA GLN A 54 7.954 15.819 -12.357 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.996 15.558 -12.453 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.753 16.137 -13.924 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.423 14.164 -13.656 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.326 13.539 -12.440 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.364 14.858 -15.751 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.151 13.771 -16.434 1.00 0.00 H new ATOM 843 N ASN A 55 6.654 18.650 -11.710 1.00 0.00 N ATOM 844 CA ASN A 55 6.702 20.077 -11.976 1.00 0.00 C ATOM 845 C ASN A 55 7.790 20.716 -11.111 1.00 0.00 C ATOM 846 O ASN A 55 8.377 21.728 -11.492 1.00 0.00 O ATOM 847 CB ASN A 55 5.370 20.747 -11.632 1.00 0.00 C ATOM 848 CG ASN A 55 4.519 20.950 -12.887 1.00 0.00 C ATOM 849 OD1 ASN A 55 5.014 21.026 -14.000 1.00 0.00 O ATOM 850 ND2 ASN A 55 3.213 21.033 -12.648 1.00 0.00 N ATOM 0 H ASN A 55 6.244 18.397 -10.811 1.00 0.00 H new ATOM 0 HA ASN A 55 6.912 20.215 -13.037 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.825 20.134 -10.914 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.555 21.709 -11.154 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.561 21.168 -13.420 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.864 20.961 -11.692 1.00 0.00 H new ATOM 857 N LEU A 56 8.025 20.100 -9.962 1.00 0.00 N ATOM 858 CA LEU A 56 9.032 20.596 -9.039 1.00 0.00 C ATOM 859 C LEU A 56 10.412 20.488 -9.691 1.00 0.00 C ATOM 860 O LEU A 56 10.519 20.208 -10.884 1.00 0.00 O ATOM 861 CB LEU A 56 8.929 19.874 -7.694 1.00 0.00 C ATOM 862 CG LEU A 56 7.620 20.071 -6.926 1.00 0.00 C ATOM 863 CD1 LEU A 56 7.782 19.674 -5.457 1.00 0.00 C ATOM 864 CD2 LEU A 56 7.104 21.503 -7.080 1.00 0.00 C ATOM 0 H LEU A 56 7.535 19.262 -9.649 1.00 0.00 H new ATOM 0 HA LEU A 56 8.863 21.651 -8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.070 18.807 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.752 20.207 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 56 6.868 19.410 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.838 19.823 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.070 18.625 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.554 20.291 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.173 21.616 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.846 22.201 -6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.925 21.714 -8.134 1.00 0.00 H new ATOM 876 N ALA A 57 11.434 20.715 -8.878 1.00 0.00 N ATOM 877 CA ALA A 57 12.803 20.647 -9.361 1.00 0.00 C ATOM 878 C ALA A 57 13.463 19.372 -8.831 1.00 0.00 C ATOM 879 O ALA A 57 12.889 18.672 -7.999 1.00 0.00 O ATOM 880 CB ALA A 57 13.556 21.911 -8.941 1.00 0.00 C ATOM 0 H ALA A 57 11.341 20.946 -7.889 1.00 0.00 H new ATOM 0 HA ALA A 57 12.824 20.602 -10.450 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.583 21.860 -9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.064 22.786 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.558 21.989 -7.854 1.00 0.00 H new ATOM 886 N VAL A 58 14.660 19.110 -9.336 1.00 0.00 N ATOM 887 CA VAL A 58 15.404 17.932 -8.924 1.00 0.00 C ATOM 888 C VAL A 58 15.797 18.071 -7.452 1.00 0.00 C ATOM 889 O VAL A 58 15.574 17.158 -6.657 1.00 0.00 O ATOM 890 CB VAL A 58 16.606 17.723 -9.846 1.00 0.00 C ATOM 891 CG1 VAL A 58 17.497 16.588 -9.338 1.00 0.00 C ATOM 892 CG2 VAL A 58 16.155 17.463 -11.285 1.00 0.00 C ATOM 0 H VAL A 58 15.133 19.693 -10.026 1.00 0.00 H new ATOM 0 HA VAL A 58 14.785 17.039 -9.012 1.00 0.00 H new ATOM 0 HB VAL A 58 17.195 18.640 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.344 16.461 -10.012 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.861 16.830 -8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 58 16.922 15.663 -9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.029 17.318 -11.920 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.532 16.569 -11.315 1.00 0.00 H new ATOM 0 HG23 VAL A 58 15.582 18.317 -11.647 1.00 0.00 H new ATOM 902 N GLY A 59 16.374 19.220 -7.133 1.00 0.00 N ATOM 903 CA GLY A 59 16.800 19.490 -5.770 1.00 0.00 C ATOM 904 C GLY A 59 15.641 20.029 -4.930 1.00 0.00 C ATOM 905 O GLY A 59 15.811 20.979 -4.167 1.00 0.00 O ATOM 0 H GLY A 59 16.557 19.975 -7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.187 18.577 -5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.616 20.213 -5.777 1.00 0.00 H new ATOM 909 N ALA A 60 14.487 19.399 -5.098 1.00 0.00 N ATOM 910 CA ALA A 60 13.300 19.804 -4.364 1.00 0.00 C ATOM 911 C ALA A 60 13.103 18.872 -3.167 1.00 0.00 C ATOM 912 O ALA A 60 13.920 17.985 -2.926 1.00 0.00 O ATOM 913 CB ALA A 60 12.094 19.806 -5.306 1.00 0.00 C ATOM 0 H ALA A 60 14.349 18.611 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 60 13.414 20.817 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.203 20.110 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.272 20.505 -6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.947 18.805 -5.711 1.00 0.00 H new ATOM 919 N GLY A 61 12.014 19.104 -2.449 1.00 0.00 N ATOM 920 CA GLY A 61 11.700 18.297 -1.283 1.00 0.00 C ATOM 921 C GLY A 61 10.198 18.316 -0.992 1.00 0.00 C ATOM 922 O GLY A 61 9.401 18.704 -1.845 1.00 0.00 O ATOM 0 H GLY A 61 11.338 19.840 -2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.029 17.271 -1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.247 18.673 -0.418 1.00 0.00 H new ATOM 926 N ALA A 62 9.856 17.892 0.216 1.00 0.00 N ATOM 927 CA ALA A 62 8.464 17.855 0.630 1.00 0.00 C ATOM 928 C ALA A 62 8.248 18.859 1.765 1.00 0.00 C ATOM 929 O ALA A 62 9.116 19.034 2.618 1.00 0.00 O ATOM 930 CB ALA A 62 8.089 16.428 1.036 1.00 0.00 C ATOM 0 H ALA A 62 10.519 17.571 0.921 1.00 0.00 H new ATOM 0 HA ALA A 62 7.811 18.142 -0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.045 16.401 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.233 15.759 0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.722 16.107 1.863 1.00 0.00 H new ATOM 936 N VAL A 63 7.084 19.492 1.737 1.00 0.00 N ATOM 937 CA VAL A 63 6.742 20.474 2.753 1.00 0.00 C ATOM 938 C VAL A 63 6.540 19.766 4.094 1.00 0.00 C ATOM 939 O VAL A 63 6.562 20.402 5.146 1.00 0.00 O ATOM 940 CB VAL A 63 5.518 21.279 2.311 1.00 0.00 C ATOM 941 CG1 VAL A 63 5.779 21.988 0.981 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.278 20.387 2.224 1.00 0.00 C ATOM 0 H VAL A 63 6.366 19.344 1.027 1.00 0.00 H new ATOM 0 HA VAL A 63 7.555 21.188 2.883 1.00 0.00 H new ATOM 0 HB VAL A 63 5.329 22.043 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.893 22.553 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.623 22.668 1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.007 21.249 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.422 20.983 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.453 19.591 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.075 19.950 3.202 1.00 0.00 H new ATOM 952 N GLY A 64 6.348 18.457 4.012 1.00 0.00 N ATOM 953 CA GLY A 64 6.143 17.655 5.206 1.00 0.00 C ATOM 954 C GLY A 64 6.265 16.163 4.893 1.00 0.00 C ATOM 955 O GLY A 64 6.211 15.763 3.731 1.00 0.00 O ATOM 0 H GLY A 64 6.330 17.932 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.875 17.932 5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.158 17.863 5.623 1.00 0.00 H new ATOM 959 N SER A 65 6.428 15.380 5.949 1.00 0.00 N ATOM 960 CA SER A 65 6.559 13.941 5.801 1.00 0.00 C ATOM 961 C SER A 65 5.747 13.227 6.884 1.00 0.00 C ATOM 962 O SER A 65 5.384 13.832 7.892 1.00 0.00 O ATOM 963 CB SER A 65 8.026 13.511 5.867 1.00 0.00 C ATOM 964 OG SER A 65 8.664 13.974 7.054 1.00 0.00 O ATOM 0 H SER A 65 6.472 15.715 6.911 1.00 0.00 H new ATOM 0 HA SER A 65 6.171 13.662 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.088 12.424 5.823 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.556 13.896 4.996 1.00 0.00 H new ATOM 0 HG SER A 65 9.598 13.678 7.060 1.00 0.00 H new ATOM 970 N LEU A 66 5.486 11.952 6.639 1.00 0.00 N ATOM 971 CA LEU A 66 4.724 11.149 7.580 1.00 0.00 C ATOM 972 C LEU A 66 5.241 9.710 7.553 1.00 0.00 C ATOM 973 O LEU A 66 4.886 8.936 6.665 1.00 0.00 O ATOM 974 CB LEU A 66 3.225 11.270 7.297 1.00 0.00 C ATOM 975 CG LEU A 66 2.384 11.916 8.399 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.919 12.036 7.972 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.535 11.158 9.720 1.00 0.00 C ATOM 0 H LEU A 66 5.789 11.454 5.802 1.00 0.00 H new ATOM 0 HA LEU A 66 4.864 11.518 8.596 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.094 11.847 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.830 10.272 7.104 1.00 0.00 H new ATOM 0 HG LEU A 66 2.756 12.927 8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.343 12.498 8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.851 12.651 7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.518 11.044 7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.927 11.638 10.487 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.205 10.127 9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.581 11.168 10.028 1.00 0.00 H new ATOM 989 N GLN A 67 6.071 9.394 8.536 1.00 0.00 N ATOM 990 CA GLN A 67 6.641 8.061 8.636 1.00 0.00 C ATOM 991 C GLN A 67 5.536 7.028 8.868 1.00 0.00 C ATOM 992 O GLN A 67 4.731 7.170 9.787 1.00 0.00 O ATOM 993 CB GLN A 67 7.694 7.996 9.744 1.00 0.00 C ATOM 994 CG GLN A 67 8.779 9.054 9.532 1.00 0.00 C ATOM 995 CD GLN A 67 9.883 8.530 8.612 1.00 0.00 C ATOM 996 OE1 GLN A 67 10.291 7.382 8.680 1.00 0.00 O ATOM 997 NE2 GLN A 67 10.343 9.432 7.750 1.00 0.00 N ATOM 0 H GLN A 67 6.363 10.039 9.271 1.00 0.00 H new ATOM 0 HA GLN A 67 7.138 7.828 7.694 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.218 8.147 10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.147 7.005 9.763 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.337 9.952 9.101 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.207 9.339 10.493 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.957 10.376 7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.081 9.180 7.093 1.00 0.00 H new ATOM 1006 N LEU A 68 5.533 6.011 8.019 1.00 0.00 N ATOM 1007 CA LEU A 68 4.541 4.955 8.120 1.00 0.00 C ATOM 1008 C LEU A 68 4.654 4.283 9.490 1.00 0.00 C ATOM 1009 O LEU A 68 3.692 3.693 9.977 1.00 0.00 O ATOM 1010 CB LEU A 68 4.671 3.983 6.946 1.00 0.00 C ATOM 1011 CG LEU A 68 4.422 4.572 5.556 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.343 3.469 4.499 1.00 0.00 C ATOM 1013 CD2 LEU A 68 3.176 5.460 5.552 1.00 0.00 C ATOM 0 H LEU A 68 6.202 5.896 7.258 1.00 0.00 H new ATOM 0 HA LEU A 68 3.536 5.370 8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.674 3.556 6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.972 3.161 7.101 1.00 0.00 H new ATOM 0 HG LEU A 68 5.270 5.206 5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.165 3.915 3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.282 2.915 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.526 2.790 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.022 5.866 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.307 4.869 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.310 6.278 6.259 1.00 0.00 H new ATOM 1025 N THR A 69 5.839 4.396 10.072 1.00 0.00 N ATOM 1026 CA THR A 69 6.092 3.807 11.376 1.00 0.00 C ATOM 1027 C THR A 69 5.073 4.317 12.397 1.00 0.00 C ATOM 1028 O THR A 69 4.784 3.640 13.383 1.00 0.00 O ATOM 1029 CB THR A 69 7.541 4.111 11.760 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.635 3.694 13.119 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.831 5.613 11.810 1.00 0.00 C ATOM 0 H THR A 69 6.635 4.887 9.664 1.00 0.00 H new ATOM 0 HA THR A 69 5.968 2.724 11.352 1.00 0.00 H new ATOM 0 HB THR A 69 8.213 3.635 11.046 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.544 3.854 13.448 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.873 5.773 12.087 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.644 6.052 10.830 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.182 6.084 12.548 1.00 0.00 H new ATOM 1039 N TYR A 70 4.556 5.507 12.127 1.00 0.00 N ATOM 1040 CA TYR A 70 3.576 6.115 13.010 1.00 0.00 C ATOM 1041 C TYR A 70 2.174 5.566 12.735 1.00 0.00 C ATOM 1042 O TYR A 70 1.535 5.011 13.627 1.00 0.00 O ATOM 1043 CB TYR A 70 3.595 7.612 12.693 1.00 0.00 C ATOM 1044 CG TYR A 70 4.909 8.307 13.053 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.487 8.094 14.288 1.00 0.00 C ATOM 1046 CD2 TYR A 70 5.517 9.148 12.143 1.00 0.00 C ATOM 1047 CE1 TYR A 70 6.724 8.748 14.626 1.00 0.00 C ATOM 1048 CE2 TYR A 70 6.754 9.803 12.481 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.297 9.571 13.706 1.00 0.00 C ATOM 1050 OH TYR A 70 8.465 10.189 14.026 1.00 0.00 O ATOM 0 H TYR A 70 4.798 6.066 11.309 1.00 0.00 H new ATOM 0 HA TYR A 70 3.816 5.904 14.052 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.402 7.750 11.629 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.780 8.097 13.230 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.011 7.437 15.001 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.065 9.315 11.177 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.187 8.589 15.589 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.239 10.463 11.778 1.00 0.00 H new ATOM 0 HH TYR A 70 8.758 10.744 13.274 1.00 0.00 H new ATOM 1060 N ILE A 71 1.738 5.739 11.496 1.00 0.00 N ATOM 1061 CA ILE A 71 0.424 5.268 11.092 1.00 0.00 C ATOM 1062 C ILE A 71 0.265 3.802 11.501 1.00 0.00 C ATOM 1063 O ILE A 71 1.165 2.992 11.283 1.00 0.00 O ATOM 1064 CB ILE A 71 0.201 5.517 9.599 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.172 7.016 9.292 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.062 4.807 9.108 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.579 7.545 9.010 1.00 0.00 C ATOM 0 H ILE A 71 2.271 6.199 10.758 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.356 5.830 11.605 1.00 0.00 H new ATOM 0 HB ILE A 71 1.043 5.092 9.052 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.470 7.202 8.431 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.261 7.555 10.135 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.198 5.000 8.044 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.963 3.734 9.272 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.926 5.180 9.657 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.530 8.612 8.795 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.212 7.379 9.882 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.000 7.021 8.152 1.00 0.00 H new ATOM 1079 N SER A 72 -0.885 3.506 12.088 1.00 0.00 N ATOM 1080 CA SER A 72 -1.174 2.152 12.529 1.00 0.00 C ATOM 1081 C SER A 72 -2.425 1.626 11.823 1.00 0.00 C ATOM 1082 O SER A 72 -2.478 0.462 11.430 1.00 0.00 O ATOM 1083 CB SER A 72 -1.357 2.095 14.047 1.00 0.00 C ATOM 1084 OG SER A 72 -0.501 1.130 14.652 1.00 0.00 O ATOM 0 H SER A 72 -1.628 4.181 12.269 1.00 0.00 H new ATOM 0 HA SER A 72 -0.326 1.519 12.268 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.155 3.077 14.474 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.395 1.855 14.278 1.00 0.00 H new ATOM 0 HG SER A 72 -0.647 1.125 15.621 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.402 2.511 11.683 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.650 2.151 11.032 1.00 0.00 C ATOM 1092 C LYS A 73 -5.216 3.376 10.311 1.00 0.00 C ATOM 1093 O LYS A 73 -5.007 4.507 10.746 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.619 1.526 12.037 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.069 1.691 11.577 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.362 0.809 10.362 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.389 -0.272 10.703 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.165 -1.479 9.877 1.00 0.00 N ATOM 0 H LYS A 73 -3.354 3.476 12.009 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.477 1.386 10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.390 0.467 12.158 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.488 1.994 13.013 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.745 1.430 12.392 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.259 2.735 11.327 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.735 1.424 9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.440 0.343 10.016 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.318 -0.529 11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.396 0.109 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.871 -2.203 10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.256 -1.233 8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.211 -1.851 10.058 1.00 0.00 H new ATOM 1112 N VAL A 74 -5.922 3.109 9.222 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.520 4.175 8.438 1.00 0.00 C ATOM 1114 C VAL A 74 -8.000 3.864 8.206 1.00 0.00 C ATOM 1115 O VAL A 74 -8.343 3.100 7.306 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.738 4.369 7.136 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.262 5.577 6.357 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.239 4.501 7.411 1.00 0.00 C ATOM 0 H VAL A 74 -6.093 2.169 8.864 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.468 5.121 8.977 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.888 3.483 6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.690 5.693 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.314 5.425 6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.157 6.476 6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.707 4.638 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.062 5.361 8.056 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.879 3.598 7.904 1.00 0.00 H new ATOM 1128 N SER A 75 -8.836 4.473 9.034 1.00 0.00 N ATOM 1129 CA SER A 75 -10.271 4.270 8.931 1.00 0.00 C ATOM 1130 C SER A 75 -10.950 5.561 8.468 1.00 0.00 C ATOM 1131 O SER A 75 -10.353 6.635 8.525 1.00 0.00 O ATOM 1132 CB SER A 75 -10.860 3.811 10.266 1.00 0.00 C ATOM 1133 OG SER A 75 -12.285 3.842 10.260 1.00 0.00 O ATOM 0 H SER A 75 -8.547 5.107 9.779 1.00 0.00 H new ATOM 0 HA SER A 75 -10.453 3.486 8.196 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.520 2.798 10.483 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.487 4.451 11.066 1.00 0.00 H new ATOM 0 HG SER A 75 -12.622 3.540 11.129 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.187 5.413 8.019 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.953 6.553 7.546 1.00 0.00 C ATOM 1141 C ILE A 76 -13.446 7.364 8.747 1.00 0.00 C ATOM 1142 O ILE A 76 -14.074 6.819 9.653 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.075 6.095 6.612 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.521 5.249 5.464 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.887 7.288 6.105 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.277 5.899 4.855 1.00 0.00 C ATOM 0 H ILE A 76 -12.678 4.520 7.973 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.323 7.214 6.950 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.755 5.461 7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.273 4.252 5.829 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.285 5.127 4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.678 6.935 5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.330 7.813 6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.233 7.967 5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.903 5.278 4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.534 6.886 4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.507 5.997 5.620 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.143 8.654 8.714 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.547 9.545 9.788 1.00 0.00 C ATOM 1160 C ALA A 77 -15.062 9.453 9.979 1.00 0.00 C ATOM 1161 O ALA A 77 -15.823 9.630 9.029 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.085 10.969 9.470 1.00 0.00 C ATOM 0 H ALA A 77 -12.623 9.103 7.960 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.078 9.251 10.727 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.388 11.638 10.275 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.999 10.986 9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.538 11.298 8.535 1.00 0.00 H new ATOM 1168 N THR A 78 -15.454 9.175 11.213 1.00 0.00 N ATOM 1169 CA THR A 78 -16.865 9.056 11.541 1.00 0.00 C ATOM 1170 C THR A 78 -17.455 10.431 11.862 1.00 0.00 C ATOM 1171 O THR A 78 -16.722 11.411 11.990 1.00 0.00 O ATOM 1172 CB THR A 78 -17.001 8.054 12.689 1.00 0.00 C ATOM 1173 OG1 THR A 78 -16.842 8.846 13.863 1.00 0.00 O ATOM 1174 CG2 THR A 78 -15.834 7.066 12.745 1.00 0.00 C ATOM 0 H THR A 78 -14.820 9.029 11.998 1.00 0.00 H new ATOM 0 HA THR A 78 -17.438 8.680 10.693 1.00 0.00 H new ATOM 0 HB THR A 78 -17.937 7.505 12.582 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.918 8.275 14.656 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.980 6.377 13.577 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.788 6.504 11.812 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.901 7.612 12.885 1.00 0.00 H new ATOM 1182 N PRO A 79 -18.809 10.460 11.986 1.00 0.00 N ATOM 1183 CA PRO A 79 -19.506 11.699 12.289 1.00 0.00 C ATOM 1184 C PRO A 79 -19.328 12.082 13.760 1.00 0.00 C ATOM 1185 O PRO A 79 -19.849 13.103 14.207 1.00 0.00 O ATOM 1186 CB PRO A 79 -20.956 11.436 11.915 1.00 0.00 C ATOM 1187 CG PRO A 79 -21.103 9.924 11.855 1.00 0.00 C ATOM 1188 CD PRO A 79 -19.709 9.320 11.841 1.00 0.00 C ATOM 0 HA PRO A 79 -19.113 12.550 11.733 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -21.634 11.865 12.653 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -21.200 11.891 10.955 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -21.668 9.561 12.714 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -21.656 9.629 10.963 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.578 8.607 12.655 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.520 8.782 10.912 1.00 0.00 H new ATOM 1196 N LYS A 80 -18.591 11.242 14.472 1.00 0.00 N ATOM 1197 CA LYS A 80 -18.339 11.480 15.883 1.00 0.00 C ATOM 1198 C LYS A 80 -17.006 12.215 16.041 1.00 0.00 C ATOM 1199 O LYS A 80 -16.710 12.748 17.110 1.00 0.00 O ATOM 1200 CB LYS A 80 -18.415 10.169 16.669 1.00 0.00 C ATOM 1201 CG LYS A 80 -19.419 10.277 17.818 1.00 0.00 C ATOM 1202 CD LYS A 80 -18.803 10.995 19.021 1.00 0.00 C ATOM 1203 CE LYS A 80 -18.011 10.020 19.895 1.00 0.00 C ATOM 1204 NZ LYS A 80 -17.473 10.712 21.087 1.00 0.00 N ATOM 0 H LYS A 80 -18.161 10.396 14.098 1.00 0.00 H new ATOM 0 HA LYS A 80 -19.111 12.123 16.305 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -18.706 9.357 16.002 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.430 9.920 17.064 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -20.304 10.817 17.482 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.747 9.280 18.114 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.147 11.794 18.675 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.590 11.462 19.613 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.654 9.196 20.205 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.193 9.587 19.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.938 10.036 21.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -16.844 11.483 20.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.258 11.104 21.645 1.00 0.00 H new ATOM 1218 N GLN A 81 -16.238 12.221 14.962 1.00 0.00 N ATOM 1219 CA GLN A 81 -14.945 12.883 14.967 1.00 0.00 C ATOM 1220 C GLN A 81 -14.943 14.054 13.983 1.00 0.00 C ATOM 1221 O GLN A 81 -14.610 15.179 14.352 1.00 0.00 O ATOM 1222 CB GLN A 81 -13.822 11.894 14.644 1.00 0.00 C ATOM 1223 CG GLN A 81 -13.445 11.071 15.877 1.00 0.00 C ATOM 1224 CD GLN A 81 -11.962 10.697 15.854 1.00 0.00 C ATOM 1225 OE1 GLN A 81 -11.118 11.428 15.363 1.00 0.00 O ATOM 1226 NE2 GLN A 81 -11.692 9.519 16.411 1.00 0.00 N ATOM 0 H GLN A 81 -16.487 11.778 14.078 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.764 13.275 15.968 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.139 11.228 13.841 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.948 12.436 14.283 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.666 11.640 16.780 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.051 10.166 15.914 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.446 8.956 16.804 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.731 9.179 16.445 1.00 0.00 H new ATOM 1235 N LYS A 82 -15.320 13.750 12.750 1.00 0.00 N ATOM 1236 CA LYS A 82 -15.367 14.764 11.710 1.00 0.00 C ATOM 1237 C LYS A 82 -16.536 14.469 10.768 1.00 0.00 C ATOM 1238 O LYS A 82 -16.346 13.890 9.700 1.00 0.00 O ATOM 1239 CB LYS A 82 -14.015 14.865 11.000 1.00 0.00 C ATOM 1240 CG LYS A 82 -13.134 15.935 11.648 1.00 0.00 C ATOM 1241 CD LYS A 82 -13.554 17.337 11.201 1.00 0.00 C ATOM 1242 CE LYS A 82 -13.028 17.645 9.798 1.00 0.00 C ATOM 1243 NZ LYS A 82 -13.723 18.822 9.231 1.00 0.00 N ATOM 0 H LYS A 82 -15.596 12.816 12.447 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.548 15.747 12.144 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.508 13.901 11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.170 15.104 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.203 15.860 12.733 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.091 15.762 11.382 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.641 17.415 11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.174 18.076 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.955 17.833 9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.176 16.781 9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.354 19.017 8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.743 18.629 9.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.561 19.648 9.841 1.00 0.00 H new ATOM 1257 N PRO A 83 -17.750 14.893 11.210 1.00 0.00 N ATOM 1258 CA PRO A 83 -18.950 14.680 10.418 1.00 0.00 C ATOM 1259 C PRO A 83 -19.005 15.648 9.234 1.00 0.00 C ATOM 1260 O PRO A 83 -18.065 16.409 9.006 1.00 0.00 O ATOM 1261 CB PRO A 83 -20.102 14.868 11.392 1.00 0.00 C ATOM 1262 CG PRO A 83 -19.528 15.631 12.575 1.00 0.00 C ATOM 1263 CD PRO A 83 -18.013 15.583 12.469 1.00 0.00 C ATOM 0 HA PRO A 83 -18.985 13.689 9.966 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.918 15.422 10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.508 13.907 11.707 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -19.879 16.663 12.570 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.859 15.186 13.513 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.584 16.585 12.468 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.574 15.049 13.312 1.00 0.00 H new ATOM 1271 N LYS A 84 -20.114 15.587 8.513 1.00 0.00 N ATOM 1272 CA LYS A 84 -20.303 16.449 7.358 1.00 0.00 C ATOM 1273 C LYS A 84 -19.462 15.925 6.192 1.00 0.00 C ATOM 1274 O LYS A 84 -19.993 15.622 5.125 1.00 0.00 O ATOM 1275 CB LYS A 84 -20.009 17.906 7.722 1.00 0.00 C ATOM 1276 CG LYS A 84 -20.516 18.232 9.129 1.00 0.00 C ATOM 1277 CD LYS A 84 -21.147 19.625 9.175 1.00 0.00 C ATOM 1278 CE LYS A 84 -20.230 20.620 9.888 1.00 0.00 C ATOM 1279 NZ LYS A 84 -20.969 21.335 10.953 1.00 0.00 N ATOM 0 H LYS A 84 -20.891 14.955 8.705 1.00 0.00 H new ATOM 0 HA LYS A 84 -21.344 16.429 7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.936 18.089 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -20.483 18.568 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -21.249 17.486 9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.690 18.179 9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -21.346 19.971 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -22.107 19.576 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -19.378 20.094 10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -19.832 21.336 9.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -20.332 22.007 11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -21.768 21.853 10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -21.327 20.649 11.648 1.00 0.00 H new ATOM 1293 N THR A 85 -18.163 15.833 6.436 1.00 0.00 N ATOM 1294 CA THR A 85 -17.243 15.351 5.421 1.00 0.00 C ATOM 1295 C THR A 85 -17.650 13.952 4.953 1.00 0.00 C ATOM 1296 O THR A 85 -17.692 13.015 5.750 1.00 0.00 O ATOM 1297 CB THR A 85 -15.827 15.411 5.998 1.00 0.00 C ATOM 1298 OG1 THR A 85 -15.914 14.664 7.208 1.00 0.00 O ATOM 1299 CG2 THR A 85 -15.440 16.819 6.456 1.00 0.00 C ATOM 0 H THR A 85 -17.726 16.084 7.323 1.00 0.00 H new ATOM 0 HA THR A 85 -17.273 15.979 4.531 1.00 0.00 H new ATOM 0 HB THR A 85 -15.115 15.065 5.249 1.00 0.00 H new ATOM 0 HG1 THR A 85 -16.498 13.889 7.073 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.426 16.805 6.857 1.00 0.00 H new ATOM 0 HG22 THR A 85 -15.486 17.503 5.608 1.00 0.00 H new ATOM 0 HG23 THR A 85 -16.132 17.153 7.229 1.00 0.00 H new ATOM 1307 N PRO A 86 -17.947 13.852 3.630 1.00 0.00 N ATOM 1308 CA PRO A 86 -18.350 12.583 3.047 1.00 0.00 C ATOM 1309 C PRO A 86 -17.148 11.650 2.883 1.00 0.00 C ATOM 1310 O PRO A 86 -17.005 10.680 3.626 1.00 0.00 O ATOM 1311 CB PRO A 86 -19.004 12.948 1.725 1.00 0.00 C ATOM 1312 CG PRO A 86 -18.531 14.355 1.400 1.00 0.00 C ATOM 1313 CD PRO A 86 -17.909 14.940 2.657 1.00 0.00 C ATOM 0 HA PRO A 86 -19.044 12.030 3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -18.716 12.248 0.941 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -20.091 12.910 1.803 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.804 14.335 0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -19.366 14.971 1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.887 15.273 2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -18.469 15.806 3.010 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.316 11.975 1.906 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.132 11.178 1.635 1.00 0.00 C ATOM 1323 C PHE A 87 -13.922 11.715 2.402 1.00 0.00 C ATOM 1324 O PHE A 87 -13.046 12.354 1.820 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.856 11.283 0.133 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.102 11.560 -0.710 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.969 10.551 -0.994 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.342 12.815 -1.177 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.126 10.809 -1.777 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.498 13.072 -1.960 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.366 12.063 -2.243 1.00 0.00 C ATOM 0 H PHE A 87 -16.438 12.780 1.292 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.298 10.147 1.947 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.130 12.078 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.398 10.354 -0.208 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.778 9.554 -0.624 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.653 13.616 -0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.815 10.008 -2.002 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.688 14.068 -2.331 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.246 12.259 -2.838 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.911 11.437 3.697 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.824 11.884 4.550 1.00 0.00 C ATOM 1343 C CYS A 88 -12.344 10.692 5.382 1.00 0.00 C ATOM 1344 O CYS A 88 -13.150 9.998 6.000 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.243 13.063 5.431 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.598 14.626 4.732 1.00 0.00 S ATOM 0 H CYS A 88 -14.639 10.907 4.177 1.00 0.00 H new ATOM 0 HA CYS A 88 -12.003 12.250 3.934 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.330 13.107 5.501 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.864 12.924 6.443 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.300 14.628 4.800 1.00 0.00 H new ATOM 1352 N PHE A 89 -11.035 10.492 5.370 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.439 9.396 6.115 1.00 0.00 C ATOM 1354 C PHE A 89 -9.498 9.920 7.202 1.00 0.00 C ATOM 1355 O PHE A 89 -8.854 10.953 7.026 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.632 8.563 5.118 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.389 9.272 4.576 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.224 9.233 5.278 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.449 9.942 3.394 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -6.071 9.891 4.775 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.295 10.600 2.892 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.130 10.561 3.593 1.00 0.00 C ATOM 0 H PHE A 89 -10.370 11.070 4.856 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.219 8.808 6.599 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.327 7.634 5.600 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.276 8.292 4.282 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.177 8.702 6.217 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.374 9.974 2.837 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.146 9.859 5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.342 11.132 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.253 11.062 3.211 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.448 9.184 8.303 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.597 9.561 9.418 1.00 0.00 C ATOM 1374 C VAL A 90 -7.442 8.565 9.533 1.00 0.00 C ATOM 1375 O VAL A 90 -7.665 7.357 9.603 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.428 9.664 10.699 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.549 9.482 11.938 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.188 10.991 10.755 1.00 0.00 C ATOM 0 H VAL A 90 -9.984 8.328 8.446 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.161 10.546 9.249 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.162 8.859 10.688 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.164 9.560 12.835 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.075 8.501 11.907 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.781 10.256 11.956 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.770 11.038 11.675 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.478 11.818 10.732 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.857 11.063 9.898 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.234 9.107 9.549 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.043 8.281 9.654 1.00 0.00 C ATOM 1390 C ILE A 91 -4.712 8.057 11.131 1.00 0.00 C ATOM 1391 O ILE A 91 -4.212 8.958 11.802 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.893 8.893 8.852 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.018 8.552 7.366 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.539 8.471 9.426 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.107 9.443 6.520 1.00 0.00 C ATOM 0 H ILE A 91 -6.054 10.109 9.491 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.220 7.300 9.214 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.955 9.978 8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.759 7.505 7.206 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.053 8.676 7.047 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.739 8.920 8.838 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.461 8.807 10.460 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.451 7.385 9.390 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.215 9.180 5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.385 10.487 6.663 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.071 9.298 6.825 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.005 6.850 11.593 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.745 6.496 12.978 1.00 0.00 C ATOM 1409 C ASN A 92 -3.260 6.167 13.146 1.00 0.00 C ATOM 1410 O ASN A 92 -2.742 5.264 12.490 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.551 5.264 13.393 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.430 5.566 14.608 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -6.005 6.173 15.578 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.675 5.111 14.503 1.00 0.00 N ATOM 0 H ASN A 92 -5.420 6.105 11.033 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.033 7.342 13.601 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.175 4.936 12.561 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.873 4.443 13.626 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.339 5.263 15.262 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.966 4.611 13.663 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.616 6.918 14.027 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.201 6.718 14.289 1.00 0.00 C ATOM 1423 C ALA A 93 -0.995 6.456 15.782 1.00 0.00 C ATOM 1424 O ALA A 93 -1.898 5.968 16.461 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.414 7.934 13.797 1.00 0.00 C ATOM 0 H ALA A 93 -3.048 7.666 14.569 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.830 5.848 13.747 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.648 7.784 13.994 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.571 8.060 12.726 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.758 8.826 14.321 1.00 0.00 H new ATOM 1431 N LEU A 94 0.198 6.792 16.251 1.00 0.00 N ATOM 1432 CA LEU A 94 0.534 6.599 17.651 1.00 0.00 C ATOM 1433 C LEU A 94 -0.671 6.975 18.516 1.00 0.00 C ATOM 1434 O LEU A 94 -1.306 6.106 19.113 1.00 0.00 O ATOM 1435 CB LEU A 94 1.809 7.365 18.007 1.00 0.00 C ATOM 1436 CG LEU A 94 3.001 7.156 17.070 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.320 7.443 17.790 1.00 0.00 C ATOM 1438 CD2 LEU A 94 2.976 5.755 16.456 1.00 0.00 C ATOM 0 H LEU A 94 0.944 7.197 15.686 1.00 0.00 H new ATOM 0 HA LEU A 94 0.755 5.550 17.849 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.575 8.429 18.033 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.110 7.081 19.015 1.00 0.00 H new ATOM 0 HG LEU A 94 2.920 7.869 16.249 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.151 7.287 17.102 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.327 8.475 18.139 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.423 6.771 18.642 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.834 5.632 15.794 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.020 5.009 17.250 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.056 5.624 15.886 1.00 0.00 H new ATOM 1450 N SER A 95 -0.949 8.269 18.557 1.00 0.00 N ATOM 1451 CA SER A 95 -2.066 8.770 19.339 1.00 0.00 C ATOM 1452 C SER A 95 -2.585 10.076 18.734 1.00 0.00 C ATOM 1453 O SER A 95 -2.911 11.015 19.460 1.00 0.00 O ATOM 1454 CB SER A 95 -1.664 8.985 20.800 1.00 0.00 C ATOM 1455 OG SER A 95 -1.776 7.789 21.566 1.00 0.00 O ATOM 0 H SER A 95 -0.420 8.986 18.061 1.00 0.00 H new ATOM 0 HA SER A 95 -2.861 8.025 19.315 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.637 9.349 20.844 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.295 9.758 21.240 1.00 0.00 H new ATOM 0 HG SER A 95 -1.706 7.012 20.972 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.646 10.095 17.411 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.119 11.270 16.700 1.00 0.00 C ATOM 1463 C GLN A 96 -4.067 10.862 15.570 1.00 0.00 C ATOM 1464 O GLN A 96 -4.042 9.718 15.118 1.00 0.00 O ATOM 1465 CB GLN A 96 -1.948 12.094 16.161 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.414 13.062 15.072 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.249 13.914 14.561 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.088 13.562 14.685 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.624 15.050 13.981 1.00 0.00 N ATOM 0 H GLN A 96 -2.375 9.315 16.812 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.669 11.897 17.402 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.486 12.652 16.975 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.185 11.428 15.758 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.850 12.502 14.245 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.197 13.709 15.467 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.614 15.284 13.910 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.921 15.688 13.607 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.880 11.819 15.148 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.835 11.572 14.080 1.00 0.00 C ATOM 1480 C ARG A 97 -5.773 12.696 13.044 1.00 0.00 C ATOM 1481 O ARG A 97 -6.207 13.816 13.311 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.260 11.470 14.628 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.739 12.821 15.163 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.828 12.635 16.223 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.391 13.229 17.506 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.003 13.016 18.679 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -10.081 12.223 18.738 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -8.537 13.597 19.793 1.00 0.00 N ATOM 0 H ARG A 97 -4.898 12.766 15.526 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.571 10.625 13.610 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.932 11.127 13.842 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.295 10.726 15.424 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.898 13.365 15.592 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.125 13.426 14.342 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.754 13.105 15.892 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.039 11.574 16.357 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.573 13.838 17.497 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -10.436 11.781 17.890 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -10.547 12.061 19.631 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.717 14.201 19.748 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.003 13.435 20.686 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.231 12.359 11.883 1.00 0.00 N ATOM 1503 CA TYR A 98 -5.107 13.325 10.805 1.00 0.00 C ATOM 1504 C TYR A 98 -6.366 13.341 9.936 1.00 0.00 C ATOM 1505 O TYR A 98 -6.762 12.311 9.391 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.921 12.862 9.957 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.569 12.979 10.662 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.257 12.127 11.702 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.661 13.937 10.259 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.983 12.237 12.366 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.387 14.047 10.922 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.112 13.191 11.943 1.00 0.00 C ATOM 1513 OH TYR A 98 1.091 13.295 12.570 1.00 0.00 O ATOM 0 H TYR A 98 -4.872 11.429 11.665 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.967 14.330 11.204 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.079 11.823 9.666 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.893 13.449 9.039 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.968 11.378 12.018 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.906 14.605 9.446 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.726 11.577 13.181 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.333 14.791 10.616 1.00 0.00 H new ATOM 0 HH TYR A 98 0.951 13.359 13.538 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.960 14.521 9.832 1.00 0.00 N ATOM 1524 CA PHE A 99 -8.166 14.684 9.038 1.00 0.00 C ATOM 1525 C PHE A 99 -7.834 15.204 7.637 1.00 0.00 C ATOM 1526 O PHE A 99 -7.572 16.392 7.458 1.00 0.00 O ATOM 1527 CB PHE A 99 -9.039 15.714 9.757 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.727 15.177 11.014 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.330 13.959 10.991 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.735 15.919 12.154 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.968 13.461 12.158 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.374 15.421 13.320 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.977 14.203 13.298 1.00 0.00 C ATOM 0 H PHE A 99 -6.629 15.373 10.284 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.673 13.725 8.930 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.422 16.570 10.030 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.800 16.077 9.066 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.324 13.370 10.086 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.255 16.887 12.172 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.446 12.493 12.140 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.381 16.010 14.225 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.463 13.825 14.185 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.856 14.287 6.680 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.560 14.638 5.302 1.00 0.00 C ATOM 1545 C LEU A 100 -8.847 14.575 4.477 1.00 0.00 C ATOM 1546 O LEU A 100 -9.762 13.821 4.804 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.435 13.757 4.754 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.173 13.669 5.615 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.326 12.605 6.704 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.935 13.429 4.749 1.00 0.00 C ATOM 0 H LEU A 100 -8.074 13.302 6.832 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.191 15.662 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.826 12.749 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.154 14.131 3.770 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.034 14.626 6.117 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.415 12.563 7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.170 12.860 7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.502 11.634 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.052 13.370 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.050 12.494 4.201 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.820 14.251 4.043 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.876 15.377 3.423 1.00 0.00 N ATOM 1563 CA GLN A 101 -10.036 15.422 2.548 1.00 0.00 C ATOM 1564 C GLN A 101 -9.637 15.053 1.118 1.00 0.00 C ATOM 1565 O GLN A 101 -8.661 15.580 0.586 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.704 16.798 2.594 1.00 0.00 C ATOM 1567 CG GLN A 101 -12.065 16.770 1.896 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.675 18.171 1.827 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -11.997 19.160 1.601 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.988 18.201 2.032 1.00 0.00 N ATOM 0 H GLN A 101 -8.115 16.001 3.155 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.762 14.690 2.901 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.829 17.111 3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.060 17.535 2.114 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.953 16.368 0.889 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.739 16.102 2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.495 17.335 2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.488 19.090 2.005 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.412 14.150 0.536 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.152 13.705 -0.823 1.00 0.00 C ATOM 1581 C ALA A 102 -10.939 14.579 -1.801 1.00 0.00 C ATOM 1582 O ALA A 102 -11.598 15.534 -1.394 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.506 12.222 -0.951 1.00 0.00 C ATOM 0 H ALA A 102 -11.220 13.714 0.980 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.094 13.810 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.311 11.888 -1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.899 11.642 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.561 12.078 -0.718 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.845 14.220 -3.073 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.540 14.960 -4.113 1.00 0.00 C ATOM 1591 C ASN A 103 -12.921 14.341 -4.337 1.00 0.00 C ATOM 1592 O ASN A 103 -13.925 15.050 -4.371 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.775 14.900 -5.436 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.926 16.157 -5.636 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.268 17.057 -6.385 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.802 16.169 -4.925 1.00 0.00 N ATOM 0 H ASN A 103 -10.298 13.426 -3.407 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.622 15.998 -3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.134 14.018 -5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.478 14.796 -6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.167 16.965 -4.988 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.575 15.383 -4.316 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.927 13.024 -4.483 1.00 0.00 N ATOM 1604 CA ASP A 104 -14.168 12.301 -4.703 1.00 0.00 C ATOM 1605 C ASP A 104 -14.262 11.142 -3.708 1.00 0.00 C ATOM 1606 O ASP A 104 -13.695 11.208 -2.618 1.00 0.00 O ATOM 1607 CB ASP A 104 -14.223 11.717 -6.116 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.682 12.633 -7.215 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -12.481 12.970 -7.133 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -14.481 12.975 -8.114 1.00 0.00 O ATOM 0 H ASP A 104 -12.092 12.439 -4.453 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.993 13.001 -4.570 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.658 10.785 -6.130 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.258 11.466 -6.349 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.980 10.108 -4.119 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.155 8.936 -3.278 1.00 0.00 C ATOM 1617 C GLN A 105 -14.077 7.895 -3.587 1.00 0.00 C ATOM 1618 O GLN A 105 -13.688 7.121 -2.714 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.555 8.343 -3.448 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.600 6.895 -2.955 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.987 6.285 -3.173 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.986 6.748 -2.648 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -17.991 5.224 -3.974 1.00 0.00 N ATOM 0 H GLN A 105 -15.448 10.057 -5.024 1.00 0.00 H new ATOM 0 HA GLN A 105 -15.050 9.241 -2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.278 8.942 -2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.846 8.383 -4.498 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.852 6.304 -3.483 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.345 6.859 -1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.118 4.889 -4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.867 4.745 -4.182 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.625 7.910 -4.833 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.600 6.977 -5.268 1.00 0.00 C ATOM 1634 C LYS A 106 -11.279 7.317 -4.574 1.00 0.00 C ATOM 1635 O LYS A 106 -10.794 6.549 -3.745 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.505 6.960 -6.795 1.00 0.00 C ATOM 1637 CG LYS A 106 -13.715 6.253 -7.411 1.00 0.00 C ATOM 1638 CD LYS A 106 -13.448 5.882 -8.871 1.00 0.00 C ATOM 1639 CE LYS A 106 -13.913 4.455 -9.168 1.00 0.00 C ATOM 1640 NZ LYS A 106 -13.317 3.967 -10.432 1.00 0.00 N ATOM 0 H LYS A 106 -13.950 8.554 -5.555 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.862 5.960 -4.976 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.446 7.981 -7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.589 6.454 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.945 5.354 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.589 6.901 -7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.965 6.581 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.383 5.973 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.630 3.796 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.000 4.428 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.643 2.997 -10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.608 4.586 -11.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.280 3.974 -10.352 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.735 8.468 -4.939 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.480 8.919 -4.362 1.00 0.00 C ATOM 1656 C ASP A 107 -9.516 8.710 -2.847 1.00 0.00 C ATOM 1657 O ASP A 107 -8.492 8.416 -2.232 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.255 10.409 -4.628 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.855 10.771 -5.130 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -7.554 10.403 -6.286 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.119 11.409 -4.347 1.00 0.00 O ATOM 0 H ASP A 107 -11.140 9.102 -5.627 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.674 8.345 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.987 10.746 -5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.449 10.961 -3.708 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.707 8.870 -2.288 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.890 8.702 -0.856 1.00 0.00 C ATOM 1668 C LEU A 108 -10.493 7.279 -0.458 1.00 0.00 C ATOM 1669 O LEU A 108 -9.470 7.076 0.193 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.317 9.078 -0.451 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.701 8.787 1.001 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.331 7.399 1.134 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.499 8.962 1.932 1.00 0.00 C ATOM 0 H LEU A 108 -11.554 9.114 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.237 9.380 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.457 10.143 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.010 8.547 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.454 9.513 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.595 7.217 2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.229 7.346 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.619 6.643 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.799 8.749 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.706 8.275 1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.134 9.987 1.866 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.323 6.331 -0.867 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.071 4.933 -0.562 1.00 0.00 C ATOM 1687 C LYS A 109 -9.638 4.578 -0.964 1.00 0.00 C ATOM 1688 O LYS A 109 -8.857 4.106 -0.139 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.131 4.043 -1.214 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.353 3.891 -0.306 1.00 0.00 C ATOM 1691 CD LYS A 109 -14.584 4.554 -0.927 1.00 0.00 C ATOM 1692 CE LYS A 109 -15.682 4.760 0.118 1.00 0.00 C ATOM 1693 NZ LYS A 109 -16.844 3.891 -0.173 1.00 0.00 N ATOM 0 H LYS A 109 -12.171 6.504 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.155 4.756 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.434 4.472 -2.169 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.707 3.062 -1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.553 2.833 -0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.146 4.339 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.305 5.514 -1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.963 3.936 -1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.293 4.537 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.994 5.804 0.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.580 4.043 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -17.224 4.123 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.545 2.895 -0.157 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.336 4.819 -2.231 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.011 4.530 -2.752 1.00 0.00 C ATOM 1709 C ASP A 110 -6.964 4.876 -1.691 1.00 0.00 C ATOM 1710 O ASP A 110 -6.179 4.020 -1.286 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.715 5.366 -3.999 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.637 4.574 -5.305 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -8.429 3.616 -5.436 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -6.787 4.945 -6.144 1.00 0.00 O ATOM 0 H ASP A 110 -9.986 5.211 -2.912 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.974 3.472 -3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.488 6.128 -4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.770 5.889 -3.852 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.986 6.133 -1.272 1.00 0.00 N ATOM 1720 CA TRP A 111 -6.048 6.602 -0.266 1.00 0.00 C ATOM 1721 C TRP A 111 -6.163 5.685 0.952 1.00 0.00 C ATOM 1722 O TRP A 111 -5.193 5.034 1.338 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.295 8.075 0.068 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.506 9.052 -0.805 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.981 9.921 -1.708 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -4.073 9.227 -0.821 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.964 10.639 -2.303 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.767 10.204 -1.746 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.069 8.580 -0.078 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.458 10.622 -2.014 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.767 9.010 -0.358 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.441 9.992 -1.287 1.00 0.00 C ATOM 0 H TRP A 111 -7.638 6.841 -1.611 1.00 0.00 H new ATOM 0 HA TRP A 111 -5.025 6.556 -0.640 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.359 8.287 -0.037 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.037 8.248 1.113 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.028 10.044 -1.941 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.071 11.357 -3.020 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.286 7.813 0.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.244 11.390 -2.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.958 8.546 0.186 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.409 10.267 -1.447 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.358 5.662 1.525 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.613 4.834 2.692 1.00 0.00 C ATOM 1745 C VAL A 112 -6.964 3.463 2.492 1.00 0.00 C ATOM 1746 O VAL A 112 -6.174 3.019 3.323 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.117 4.751 2.956 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.412 3.884 4.182 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.725 6.146 3.113 1.00 0.00 C ATOM 0 H VAL A 112 -8.160 6.203 1.203 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.165 5.279 3.581 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.582 4.278 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.489 3.842 4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.031 2.877 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.927 4.315 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.795 6.058 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.251 6.657 3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.562 6.719 2.200 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.321 2.832 1.383 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.784 1.520 1.063 1.00 0.00 C ATOM 1761 C GLU A 113 -5.255 1.565 1.039 1.00 0.00 C ATOM 1762 O GLU A 113 -4.598 0.902 1.841 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.338 1.011 -0.269 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.867 0.957 -0.242 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.365 0.090 0.916 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.411 0.624 2.046 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -9.688 -1.087 0.646 1.00 0.00 O ATOM 0 H GLU A 113 -7.975 3.205 0.695 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.096 0.821 1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.008 1.663 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.939 0.018 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.268 1.966 -0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.237 0.557 -1.186 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.732 2.352 0.111 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.292 2.491 -0.028 1.00 0.00 C ATOM 1776 C ALA A 114 -2.667 2.689 1.354 1.00 0.00 C ATOM 1777 O ALA A 114 -1.680 2.037 1.692 1.00 0.00 O ATOM 1778 CB ALA A 114 -2.980 3.649 -0.979 1.00 0.00 C ATOM 0 H ALA A 114 -5.279 2.900 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.860 1.588 -0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.900 3.753 -1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.421 3.447 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.397 4.572 -0.577 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.268 3.590 2.117 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.783 3.881 3.455 1.00 0.00 C ATOM 1786 C LEU A 115 -2.951 2.641 4.335 1.00 0.00 C ATOM 1787 O LEU A 115 -2.150 2.403 5.238 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.470 5.129 4.014 1.00 0.00 C ATOM 1789 CG LEU A 115 -3.189 6.438 3.274 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.367 7.405 3.404 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.877 7.066 3.748 1.00 0.00 C ATOM 0 H LEU A 115 -4.087 4.128 1.834 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.718 4.114 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.547 4.958 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.168 5.251 5.054 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.073 6.212 2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.141 8.327 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.261 6.949 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.539 7.629 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.702 7.995 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.939 7.275 4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -1.055 6.376 3.560 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.998 1.883 4.041 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.281 0.673 4.794 1.00 0.00 C ATOM 1805 C ASN A 116 -3.269 -0.409 4.412 1.00 0.00 C ATOM 1806 O ASN A 116 -3.117 -1.401 5.122 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.681 0.143 4.479 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.570 0.170 5.724 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.653 -0.784 6.479 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.228 1.313 5.894 1.00 0.00 N ATOM 0 H ASN A 116 -4.660 2.084 3.292 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.217 0.914 5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.133 0.746 3.692 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.611 -0.876 4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.848 1.430 6.695 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.113 2.073 5.223 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.602 -0.180 3.289 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.609 -1.123 2.804 1.00 0.00 C ATOM 1819 C GLN A 117 -0.210 -0.703 3.260 1.00 0.00 C ATOM 1820 O GLN A 117 0.589 -1.540 3.676 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.673 -1.252 1.281 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.092 -1.587 0.818 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.067 -2.467 -0.434 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.159 -2.409 -1.246 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -4.113 -3.281 -0.543 1.00 0.00 N ATOM 0 H GLN A 117 -2.730 0.644 2.702 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.829 -2.102 3.228 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.347 -0.320 0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -0.985 -2.030 0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.627 -2.100 1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.637 -0.666 0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -4.838 -3.278 0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.190 -3.908 -1.344 1.00 0.00 H new ATOM 1834 N ALA A 118 0.043 0.595 3.167 1.00 0.00 N ATOM 1835 CA ALA A 118 1.331 1.136 3.565 1.00 0.00 C ATOM 1836 C ALA A 118 1.532 0.913 5.065 1.00 0.00 C ATOM 1837 O ALA A 118 2.664 0.797 5.533 1.00 0.00 O ATOM 1838 CB ALA A 118 1.404 2.616 3.181 1.00 0.00 C ATOM 0 H ALA A 118 -0.622 1.287 2.822 1.00 0.00 H new ATOM 0 HA ALA A 118 2.140 0.623 3.044 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.370 3.022 3.480 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.285 2.718 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.609 3.163 3.687 1.00 0.00 H new ATOM 1844 N SER A 119 0.416 0.859 5.778 1.00 0.00 N ATOM 1845 CA SER A 119 0.455 0.652 7.215 1.00 0.00 C ATOM 1846 C SER A 119 0.903 -0.778 7.526 1.00 0.00 C ATOM 1847 O SER A 119 1.916 -0.984 8.193 1.00 0.00 O ATOM 1848 CB SER A 119 -0.909 0.930 7.849 1.00 0.00 C ATOM 1849 OG SER A 119 -1.247 -0.041 8.836 1.00 0.00 O ATOM 0 H SER A 119 -0.521 0.955 5.386 1.00 0.00 H new ATOM 0 HA SER A 119 1.173 1.352 7.642 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.903 1.921 8.303 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.674 0.940 7.073 1.00 0.00 H new ATOM 0 HG SER A 119 -1.661 0.404 9.605 1.00 0.00 H new ATOM 1855 N LYS A 120 0.127 -1.728 7.026 1.00 0.00 N ATOM 1856 CA LYS A 120 0.431 -3.133 7.242 1.00 0.00 C ATOM 1857 C LYS A 120 1.709 -3.496 6.483 1.00 0.00 C ATOM 1858 O LYS A 120 2.303 -4.545 6.727 1.00 0.00 O ATOM 1859 CB LYS A 120 -0.772 -4.004 6.875 1.00 0.00 C ATOM 1860 CG LYS A 120 -1.035 -3.967 5.368 1.00 0.00 C ATOM 1861 CD LYS A 120 -1.114 -5.382 4.790 1.00 0.00 C ATOM 1862 CE LYS A 120 -2.566 -5.851 4.683 1.00 0.00 C ATOM 1863 NZ LYS A 120 -3.126 -5.503 3.358 1.00 0.00 N ATOM 0 H LYS A 120 -0.711 -1.553 6.472 1.00 0.00 H new ATOM 0 HA LYS A 120 0.622 -3.324 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -0.592 -5.031 7.191 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -1.655 -3.656 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -1.967 -3.437 5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -0.241 -3.411 4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -0.648 -5.403 3.805 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -0.552 -6.069 5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -2.618 -6.929 4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -3.163 -5.389 5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -4.112 -5.828 3.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -3.094 -4.472 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -2.566 -5.964 2.613 1.00 0.00 H new ATOM 1877 N SER A 121 2.093 -2.609 5.577 1.00 0.00 N ATOM 1878 CA SER A 121 3.289 -2.823 4.780 1.00 0.00 C ATOM 1879 C SER A 121 3.399 -4.297 4.387 1.00 0.00 C ATOM 1880 O SER A 121 4.494 -4.856 4.359 1.00 0.00 O ATOM 1881 CB SER A 121 4.543 -2.381 5.539 1.00 0.00 C ATOM 1882 OG SER A 121 4.558 -0.975 5.773 1.00 0.00 O ATOM 0 H SER A 121 1.597 -1.740 5.377 1.00 0.00 H new ATOM 0 HA SER A 121 3.211 -2.218 3.877 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.594 -2.908 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.429 -2.663 4.971 1.00 0.00 H new ATOM 0 HG SER A 121 3.742 -0.574 5.407 1.00 0.00 H new ATOM 1888 N GLY A 122 2.249 -4.885 4.093 1.00 0.00 N ATOM 1889 CA GLY A 122 2.202 -6.284 3.702 1.00 0.00 C ATOM 1890 C GLY A 122 3.408 -6.652 2.835 1.00 0.00 C ATOM 1891 O GLY A 122 4.006 -5.786 2.198 1.00 0.00 O ATOM 0 H GLY A 122 1.342 -4.418 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 122 2.184 -6.913 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 122 1.281 -6.481 3.153 1.00 0.00 H new ATOM 1895 N PRO A 123 3.738 -7.971 2.840 1.00 0.00 N ATOM 1896 CA PRO A 123 4.861 -8.464 2.061 1.00 0.00 C ATOM 1897 C PRO A 123 4.514 -8.520 0.572 1.00 0.00 C ATOM 1898 O PRO A 123 3.372 -8.274 0.188 1.00 0.00 O ATOM 1899 CB PRO A 123 5.178 -9.830 2.649 1.00 0.00 C ATOM 1900 CG PRO A 123 3.937 -10.250 3.420 1.00 0.00 C ATOM 1901 CD PRO A 123 3.052 -9.025 3.583 1.00 0.00 C ATOM 0 HA PRO A 123 5.731 -7.809 2.116 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.412 -10.549 1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 123 6.047 -9.781 3.305 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.404 -11.037 2.886 1.00 0.00 H new ATOM 0 HG3 PRO A 123 4.212 -10.655 4.394 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.052 -9.203 3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.935 -8.758 4.633 1.00 0.00 H new ATOM 1909 N SER A 124 5.521 -8.847 -0.225 1.00 0.00 N ATOM 1910 CA SER A 124 5.337 -8.938 -1.663 1.00 0.00 C ATOM 1911 C SER A 124 5.765 -10.321 -2.159 1.00 0.00 C ATOM 1912 O SER A 124 4.967 -11.048 -2.749 1.00 0.00 O ATOM 1913 CB SER A 124 6.124 -7.846 -2.390 1.00 0.00 C ATOM 1914 OG SER A 124 6.265 -8.125 -3.781 1.00 0.00 O ATOM 0 H SER A 124 6.467 -9.052 0.098 1.00 0.00 H new ATOM 0 HA SER A 124 4.279 -8.792 -1.882 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.619 -6.889 -2.262 1.00 0.00 H new ATOM 0 HB3 SER A 124 7.111 -7.749 -1.938 1.00 0.00 H new ATOM 0 HG SER A 124 6.772 -7.404 -4.210 1.00 0.00 H new ATOM 1920 N SER A 125 7.025 -10.643 -1.901 1.00 0.00 N ATOM 1921 CA SER A 125 7.569 -11.925 -2.313 1.00 0.00 C ATOM 1922 C SER A 125 6.539 -13.032 -2.075 1.00 0.00 C ATOM 1923 O SER A 125 6.038 -13.189 -0.962 1.00 0.00 O ATOM 1924 CB SER A 125 8.867 -12.238 -1.567 1.00 0.00 C ATOM 1925 OG SER A 125 8.623 -12.678 -0.233 1.00 0.00 O ATOM 0 H SER A 125 7.684 -10.037 -1.412 1.00 0.00 H new ATOM 0 HA SER A 125 7.797 -11.873 -3.378 1.00 0.00 H new ATOM 0 HB2 SER A 125 9.419 -13.007 -2.107 1.00 0.00 H new ATOM 0 HB3 SER A 125 9.497 -11.349 -1.546 1.00 0.00 H new ATOM 0 HG SER A 125 7.671 -12.883 -0.125 1.00 0.00 H new ATOM 1931 N GLY A 126 6.254 -13.770 -3.137 1.00 0.00 N ATOM 1932 CA GLY A 126 5.293 -14.857 -3.058 1.00 0.00 C ATOM 1933 C GLY A 126 4.339 -14.834 -4.254 1.00 0.00 C ATOM 1934 O GLY A 126 4.088 -13.778 -4.832 1.00 0.00 O ATOM 0 H GLY A 126 6.672 -13.637 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 126 5.819 -15.811 -3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.723 -14.777 -2.132 1.00 0.00 H new TER 1938 GLY A 126