USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 845 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 Single : A 1 ASP N :NH3+ 141:sc= 1.82 (180deg=1.27) USER MOD Single : A 9 MET CE :methyl 161:sc= -0.159 (180deg=-0.719) USER MOD Single : A 12 GLN : amide:sc= 0.0917 X(o=0.092,f=-0.27) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -130:sc= -0.0189 (180deg=-0.824) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 0.226 (180deg=0.209) USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= -0.0694 (180deg=-0.33) USER MOD Single : A 50 SER OG : rot 98:sc= 1.31 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 156:sc=-0.000952 (180deg=-0.851) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 56 HIS : no HE2:sc= -1.41! C(o=-1.4!,f=-3.5!) USER MOD Single : A 58 GLN : amide:sc= -3.49 K(o=-3.5,f=-1.6) USER MOD Single : A 60 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.34) USER MOD Single : A 62 SER OG : rot 73:sc= 0.342 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.299 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -155:sc= 0.185 (180deg=0.113) USER MOD Single : A 70 TYR OH : rot -88:sc= -0.01 USER MOD Single : A 75 HIS : no HD1:sc= -0.0875 X(o=-0.088,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -3.39! K(o=-3.4!,f=-0.23) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00324 USER MOD Single : A 87 TYR OH : rot -110:sc= -0.122 USER MOD Single : A 89 CYS SG : rot 107:sc= 2.1 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -43:sc= -2.78 USER MOD Single : A 94 LYS NZ :NH3+ -170:sc= -3.17! (180deg=-3.5!) USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= 1.28 (180deg=0.987) USER MOD Single : A 99 CYS SG : rot 107:sc= -2.58! USER MOD Single : A 100 SER OG : rot -99:sc= -2.53! USER MOD Single : A 101 ASN : amide:sc= 0.759 K(o=0.76,f=-0.4) USER MOD Single : A 103 ASN : amide:sc= -0.65 K(o=-0.65,f=-3.1!) USER MOD Single : A 105 THR OG1 : rot 114:sc= 1.27 USER MOD Single : A 107 HIS : no HE2:sc= -0.735! C(o=-0.74!,f=-7.1!) USER MOD Single : A 110 MET CE :methyl 156:sc= -0.131 (180deg=-0.798) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -17.806 -11.633 0.748 1.00 0.92 N ATOM 2 CA ASP A 1 -17.501 -10.488 -0.146 1.00 0.81 C ATOM 3 C ASP A 1 -18.685 -10.165 -1.037 1.00 0.80 C ATOM 4 O ASP A 1 -19.188 -11.025 -1.749 1.00 0.99 O ATOM 5 CB ASP A 1 -16.302 -10.821 -1.035 1.00 0.90 C ATOM 6 CG ASP A 1 -15.037 -11.085 -0.258 1.00 1.34 C ATOM 7 OD1 ASP A 1 -15.022 -12.038 0.548 1.00 1.68 O ATOM 8 OD2 ASP A 1 -14.059 -10.344 -0.463 1.00 1.93 O ATOM 0 H1 ASP A 1 -16.966 -12.240 0.834 1.00 0.92 H new ATOM 0 H2 ASP A 1 -18.074 -11.278 1.688 1.00 0.92 H new ATOM 0 H3 ASP A 1 -18.592 -12.185 0.349 1.00 0.92 H new ATOM 0 HA ASP A 1 -17.277 -9.626 0.483 1.00 0.81 H new ATOM 0 HB2 ASP A 1 -16.539 -11.697 -1.639 1.00 0.90 H new ATOM 0 HB3 ASP A 1 -16.130 -9.995 -1.725 1.00 0.90 H new ATOM 13 N ASP A 2 -19.135 -8.925 -0.975 1.00 0.70 N ATOM 14 CA ASP A 2 -20.115 -8.407 -1.891 1.00 0.72 C ATOM 15 C ASP A 2 -19.419 -7.843 -3.131 1.00 0.70 C ATOM 16 O ASP A 2 -18.189 -7.794 -3.174 1.00 0.75 O ATOM 17 CB ASP A 2 -20.850 -7.310 -1.167 1.00 0.79 C ATOM 18 CG ASP A 2 -21.972 -7.810 -0.296 1.00 1.04 C ATOM 19 OD1 ASP A 2 -23.090 -7.990 -0.803 1.00 1.11 O ATOM 20 OD2 ASP A 2 -21.739 -7.984 0.916 1.00 1.65 O ATOM 0 H ASP A 2 -18.823 -8.249 -0.278 1.00 0.70 H new ATOM 0 HA ASP A 2 -20.802 -9.188 -2.217 1.00 0.72 H new ATOM 0 HB2 ASP A 2 -20.142 -6.755 -0.551 1.00 0.79 H new ATOM 0 HB3 ASP A 2 -21.253 -6.610 -1.899 1.00 0.79 H new ATOM 25 N PRO A 3 -20.165 -7.387 -4.150 1.00 0.71 N ATOM 26 CA PRO A 3 -19.561 -6.780 -5.340 1.00 0.72 C ATOM 27 C PRO A 3 -19.094 -5.341 -5.102 1.00 0.66 C ATOM 28 O PRO A 3 -19.529 -4.403 -5.767 1.00 0.97 O ATOM 29 CB PRO A 3 -20.684 -6.830 -6.365 1.00 0.84 C ATOM 30 CG PRO A 3 -21.939 -6.763 -5.561 1.00 0.94 C ATOM 31 CD PRO A 3 -21.639 -7.448 -4.251 1.00 0.81 C ATOM 0 HA PRO A 3 -18.659 -7.306 -5.653 1.00 0.72 H new ATOM 0 HB2 PRO A 3 -20.618 -5.997 -7.065 1.00 0.84 H new ATOM 0 HB3 PRO A 3 -20.641 -7.746 -6.955 1.00 0.84 H new ATOM 0 HG2 PRO A 3 -22.242 -5.729 -5.399 1.00 0.94 H new ATOM 0 HG3 PRO A 3 -22.760 -7.258 -6.080 1.00 0.94 H new ATOM 0 HD2 PRO A 3 -22.119 -6.939 -3.415 1.00 0.81 H new ATOM 0 HD3 PRO A 3 -21.998 -8.477 -4.246 1.00 0.81 H new ATOM 39 N ILE A 4 -18.190 -5.192 -4.147 1.00 0.45 N ATOM 40 CA ILE A 4 -17.547 -3.915 -3.861 1.00 0.41 C ATOM 41 C ILE A 4 -16.519 -3.619 -4.928 1.00 0.41 C ATOM 42 O ILE A 4 -16.603 -2.625 -5.651 1.00 0.50 O ATOM 43 CB ILE A 4 -16.827 -3.960 -2.493 1.00 0.36 C ATOM 44 CG1 ILE A 4 -17.809 -3.742 -1.346 1.00 0.42 C ATOM 45 CG2 ILE A 4 -15.722 -2.915 -2.403 1.00 0.33 C ATOM 46 CD1 ILE A 4 -18.868 -4.798 -1.246 1.00 0.46 C ATOM 0 H ILE A 4 -17.879 -5.955 -3.545 1.00 0.45 H new ATOM 0 HA ILE A 4 -18.315 -3.142 -3.842 1.00 0.41 H new ATOM 0 HB ILE A 4 -16.383 -4.952 -2.408 1.00 0.36 H new ATOM 0 HG12 ILE A 4 -17.255 -3.706 -0.408 1.00 0.42 H new ATOM 0 HG13 ILE A 4 -18.288 -2.771 -1.470 1.00 0.42 H new ATOM 0 HG21 ILE A 4 -15.240 -2.978 -1.427 1.00 0.33 H new ATOM 0 HG22 ILE A 4 -14.984 -3.097 -3.185 1.00 0.33 H new ATOM 0 HG23 ILE A 4 -16.150 -1.921 -2.532 1.00 0.33 H new ATOM 0 HD11 ILE A 4 -19.527 -4.574 -0.407 1.00 0.46 H new ATOM 0 HD12 ILE A 4 -19.449 -4.820 -2.168 1.00 0.46 H new ATOM 0 HD13 ILE A 4 -18.399 -5.770 -1.089 1.00 0.46 H new ATOM 58 N GLY A 5 -15.530 -4.490 -4.978 1.00 0.36 N ATOM 59 CA GLY A 5 -14.428 -4.288 -5.887 1.00 0.39 C ATOM 60 C GLY A 5 -13.390 -3.486 -5.175 1.00 0.33 C ATOM 61 O GLY A 5 -12.803 -2.556 -5.712 1.00 0.33 O ATOM 0 H GLY A 5 -15.470 -5.333 -4.406 1.00 0.36 H new ATOM 0 HA2 GLY A 5 -14.017 -5.245 -6.208 1.00 0.39 H new ATOM 0 HA3 GLY A 5 -14.763 -3.768 -6.784 1.00 0.39 H new ATOM 65 N LEU A 6 -13.225 -3.869 -3.920 1.00 0.32 N ATOM 66 CA LEU A 6 -12.413 -3.167 -2.950 1.00 0.29 C ATOM 67 C LEU A 6 -11.046 -2.860 -3.521 1.00 0.29 C ATOM 68 O LEU A 6 -10.559 -1.739 -3.427 1.00 0.33 O ATOM 69 CB LEU A 6 -12.315 -4.057 -1.726 1.00 0.29 C ATOM 70 CG LEU A 6 -12.154 -3.366 -0.386 1.00 0.27 C ATOM 71 CD1 LEU A 6 -13.161 -2.242 -0.199 1.00 0.31 C ATOM 72 CD2 LEU A 6 -12.305 -4.399 0.701 1.00 0.28 C ATOM 0 H LEU A 6 -13.669 -4.705 -3.540 1.00 0.32 H new ATOM 0 HA LEU A 6 -12.861 -2.209 -2.685 1.00 0.29 H new ATOM 0 HB2 LEU A 6 -13.212 -4.675 -1.683 1.00 0.29 H new ATOM 0 HB3 LEU A 6 -11.470 -4.731 -1.864 1.00 0.29 H new ATOM 0 HG LEU A 6 -11.166 -2.909 -0.341 1.00 0.27 H new ATOM 0 HD11 LEU A 6 -13.009 -1.775 0.774 1.00 0.31 H new ATOM 0 HD12 LEU A 6 -13.025 -1.498 -0.984 1.00 0.31 H new ATOM 0 HD13 LEU A 6 -14.172 -2.646 -0.253 1.00 0.31 H new ATOM 0 HD21 LEU A 6 -12.192 -3.922 1.675 1.00 0.28 H new ATOM 0 HD22 LEU A 6 -13.292 -4.857 0.633 1.00 0.28 H new ATOM 0 HD23 LEU A 6 -11.540 -5.166 0.582 1.00 0.28 H new ATOM 84 N PHE A 7 -10.449 -3.851 -4.140 1.00 0.30 N ATOM 85 CA PHE A 7 -9.233 -3.636 -4.871 1.00 0.32 C ATOM 86 C PHE A 7 -9.553 -3.248 -6.299 1.00 0.29 C ATOM 87 O PHE A 7 -9.624 -4.088 -7.202 1.00 0.32 O ATOM 88 CB PHE A 7 -8.355 -4.871 -4.821 1.00 0.41 C ATOM 89 CG PHE A 7 -7.199 -4.747 -3.871 1.00 0.45 C ATOM 90 CD1 PHE A 7 -7.093 -3.669 -3.006 1.00 0.62 C ATOM 91 CD2 PHE A 7 -6.215 -5.711 -3.848 1.00 0.64 C ATOM 92 CE1 PHE A 7 -6.019 -3.561 -2.142 1.00 0.67 C ATOM 93 CE2 PHE A 7 -5.145 -5.611 -2.994 1.00 0.72 C ATOM 94 CZ PHE A 7 -5.043 -4.538 -2.139 1.00 0.61 C ATOM 0 H PHE A 7 -10.789 -4.813 -4.149 1.00 0.30 H new ATOM 0 HA PHE A 7 -8.680 -2.819 -4.408 1.00 0.32 H new ATOM 0 HB2 PHE A 7 -8.963 -5.728 -4.531 1.00 0.41 H new ATOM 0 HB3 PHE A 7 -7.973 -5.076 -5.821 1.00 0.41 H new ATOM 0 HD1 PHE A 7 -7.857 -2.906 -3.007 1.00 0.62 H new ATOM 0 HD2 PHE A 7 -6.287 -6.559 -4.513 1.00 0.64 H new ATOM 0 HE1 PHE A 7 -5.944 -2.717 -1.473 1.00 0.67 H new ATOM 0 HE2 PHE A 7 -4.382 -6.376 -2.993 1.00 0.72 H new ATOM 0 HZ PHE A 7 -4.201 -4.460 -1.467 1.00 0.61 H new ATOM 104 N VAL A 8 -9.785 -1.964 -6.471 1.00 0.28 N ATOM 105 CA VAL A 8 -10.073 -1.388 -7.775 1.00 0.34 C ATOM 106 C VAL A 8 -8.833 -1.481 -8.650 1.00 0.44 C ATOM 107 O VAL A 8 -8.915 -1.733 -9.854 1.00 0.63 O ATOM 108 CB VAL A 8 -10.507 0.084 -7.643 1.00 0.32 C ATOM 109 CG1 VAL A 8 -11.019 0.628 -8.970 1.00 0.41 C ATOM 110 CG2 VAL A 8 -11.564 0.228 -6.559 1.00 0.33 C ATOM 0 H VAL A 8 -9.780 -1.285 -5.710 1.00 0.28 H new ATOM 0 HA VAL A 8 -10.892 -1.946 -8.230 1.00 0.34 H new ATOM 0 HB VAL A 8 -9.634 0.671 -7.358 1.00 0.32 H new ATOM 0 HG11 VAL A 8 -11.318 1.669 -8.846 1.00 0.41 H new ATOM 0 HG12 VAL A 8 -10.229 0.564 -9.718 1.00 0.41 H new ATOM 0 HG13 VAL A 8 -11.877 0.041 -9.297 1.00 0.41 H new ATOM 0 HG21 VAL A 8 -11.861 1.274 -6.477 1.00 0.33 H new ATOM 0 HG22 VAL A 8 -12.433 -0.377 -6.816 1.00 0.33 H new ATOM 0 HG23 VAL A 8 -11.156 -0.109 -5.606 1.00 0.33 H new ATOM 120 N MET A 9 -7.689 -1.274 -8.017 1.00 0.43 N ATOM 121 CA MET A 9 -6.390 -1.495 -8.636 1.00 0.65 C ATOM 122 C MET A 9 -5.418 -1.925 -7.560 1.00 0.44 C ATOM 123 O MET A 9 -5.362 -1.317 -6.490 1.00 0.44 O ATOM 124 CB MET A 9 -5.866 -0.237 -9.319 1.00 1.05 C ATOM 125 CG MET A 9 -4.544 -0.439 -10.046 1.00 1.45 C ATOM 126 SD MET A 9 -4.683 -1.541 -11.466 1.00 2.35 S ATOM 127 CE MET A 9 -5.815 -0.620 -12.507 1.00 2.88 C ATOM 0 H MET A 9 -7.635 -0.946 -7.053 1.00 0.43 H new ATOM 0 HA MET A 9 -6.495 -2.265 -9.401 1.00 0.65 H new ATOM 0 HB2 MET A 9 -6.612 0.116 -10.031 1.00 1.05 H new ATOM 0 HB3 MET A 9 -5.743 0.547 -8.572 1.00 1.05 H new ATOM 0 HG2 MET A 9 -4.167 0.528 -10.379 1.00 1.45 H new ATOM 0 HG3 MET A 9 -3.810 -0.844 -9.349 1.00 1.45 H new ATOM 0 HE1 MET A 9 -5.742 -0.982 -13.533 1.00 2.88 H new ATOM 0 HE2 MET A 9 -6.834 -0.756 -12.146 1.00 2.88 H new ATOM 0 HE3 MET A 9 -5.558 0.439 -12.476 1.00 2.88 H new ATOM 137 N ARG A 10 -4.669 -2.966 -7.833 1.00 0.47 N ATOM 138 CA ARG A 10 -3.786 -3.531 -6.837 1.00 0.41 C ATOM 139 C ARG A 10 -2.370 -2.990 -6.997 1.00 0.39 C ATOM 140 O ARG A 10 -1.821 -2.971 -8.100 1.00 0.45 O ATOM 141 CB ARG A 10 -3.796 -5.059 -6.921 1.00 0.46 C ATOM 142 CG ARG A 10 -5.192 -5.652 -6.844 1.00 0.97 C ATOM 143 CD ARG A 10 -5.160 -7.164 -6.687 1.00 1.34 C ATOM 144 NE ARG A 10 -6.441 -7.685 -6.201 1.00 2.11 N ATOM 145 CZ ARG A 10 -6.994 -8.827 -6.602 1.00 2.72 C ATOM 146 NH1 ARG A 10 -6.425 -9.537 -7.568 1.00 2.74 N ATOM 147 NH2 ARG A 10 -8.124 -9.252 -6.041 1.00 3.67 N ATOM 0 H ARG A 10 -4.652 -3.440 -8.736 1.00 0.47 H new ATOM 0 HA ARG A 10 -4.148 -3.237 -5.852 1.00 0.41 H new ATOM 0 HB2 ARG A 10 -3.328 -5.368 -7.855 1.00 0.46 H new ATOM 0 HB3 ARG A 10 -3.190 -5.465 -6.111 1.00 0.46 H new ATOM 0 HG2 ARG A 10 -5.727 -5.211 -6.003 1.00 0.97 H new ATOM 0 HG3 ARG A 10 -5.746 -5.393 -7.746 1.00 0.97 H new ATOM 0 HD2 ARG A 10 -4.920 -7.625 -7.645 1.00 1.34 H new ATOM 0 HD3 ARG A 10 -4.367 -7.441 -5.992 1.00 1.34 H new ATOM 0 HE ARG A 10 -6.944 -7.133 -5.506 1.00 2.11 H new ATOM 0 HH11 ARG A 10 -5.563 -9.207 -8.003 1.00 2.74 H new ATOM 0 HH12 ARG A 10 -6.849 -10.412 -7.875 1.00 2.74 H new ATOM 0 HH21 ARG A 10 -8.566 -8.702 -5.304 1.00 3.67 H new ATOM 0 HH22 ARG A 10 -8.548 -10.127 -6.348 1.00 3.67 H new ATOM 161 N PRO A 11 -1.776 -2.527 -5.887 1.00 0.43 N ATOM 162 CA PRO A 11 -0.414 -1.989 -5.874 1.00 0.50 C ATOM 163 C PRO A 11 0.608 -3.025 -6.327 1.00 0.47 C ATOM 164 O PRO A 11 0.389 -4.232 -6.195 1.00 0.54 O ATOM 165 CB PRO A 11 -0.177 -1.592 -4.414 1.00 0.62 C ATOM 166 CG PRO A 11 -1.234 -2.278 -3.635 1.00 0.64 C ATOM 167 CD PRO A 11 -2.396 -2.482 -4.562 1.00 0.53 C ATOM 0 HA PRO A 11 -0.303 -1.151 -6.562 1.00 0.50 H new ATOM 0 HB2 PRO A 11 0.815 -1.897 -4.081 1.00 0.62 H new ATOM 0 HB3 PRO A 11 -0.237 -0.511 -4.288 1.00 0.62 H new ATOM 0 HG2 PRO A 11 -0.873 -3.233 -3.252 1.00 0.64 H new ATOM 0 HG3 PRO A 11 -1.528 -1.679 -2.773 1.00 0.64 H new ATOM 0 HD2 PRO A 11 -2.930 -3.405 -4.338 1.00 0.53 H new ATOM 0 HD3 PRO A 11 -3.118 -1.669 -4.485 1.00 0.53 H new ATOM 175 N GLN A 12 1.714 -2.549 -6.868 1.00 0.44 N ATOM 176 CA GLN A 12 2.691 -3.412 -7.493 1.00 0.43 C ATOM 177 C GLN A 12 4.070 -3.231 -6.898 1.00 0.37 C ATOM 178 O GLN A 12 4.303 -2.302 -6.135 1.00 0.40 O ATOM 179 CB GLN A 12 2.727 -3.087 -8.961 1.00 0.55 C ATOM 180 CG GLN A 12 1.470 -3.528 -9.686 1.00 0.73 C ATOM 181 CD GLN A 12 1.318 -5.040 -9.697 1.00 1.06 C ATOM 182 OE1 GLN A 12 1.752 -5.706 -10.634 1.00 1.43 O ATOM 183 NE2 GLN A 12 0.738 -5.602 -8.642 1.00 1.32 N ATOM 0 H GLN A 12 1.957 -1.558 -6.885 1.00 0.44 H new ATOM 0 HA GLN A 12 2.402 -4.450 -7.326 1.00 0.43 H new ATOM 0 HB2 GLN A 12 2.858 -2.012 -9.089 1.00 0.55 H new ATOM 0 HB3 GLN A 12 3.592 -3.569 -9.415 1.00 0.55 H new ATOM 0 HG2 GLN A 12 0.599 -3.080 -9.207 1.00 0.73 H new ATOM 0 HG3 GLN A 12 1.495 -3.159 -10.711 1.00 0.73 H new ATOM 0 HE21 GLN A 12 0.389 -5.019 -7.881 1.00 1.32 H new ATOM 0 HE22 GLN A 12 0.642 -6.616 -8.593 1.00 1.32 H new ATOM 192 N ASP A 13 4.977 -4.127 -7.275 1.00 0.34 N ATOM 193 CA ASP A 13 6.293 -4.201 -6.767 1.00 0.33 C ATOM 194 C ASP A 13 7.174 -3.057 -7.230 1.00 0.36 C ATOM 195 O ASP A 13 6.735 -1.921 -7.427 1.00 0.50 O ATOM 196 CB ASP A 13 6.853 -5.516 -7.282 1.00 0.35 C ATOM 197 CG ASP A 13 6.655 -5.699 -8.775 1.00 1.04 C ATOM 198 OD1 ASP A 13 5.543 -6.083 -9.191 1.00 1.03 O ATOM 199 OD2 ASP A 13 7.619 -5.471 -9.539 1.00 2.06 O ATOM 0 H ASP A 13 4.780 -4.842 -7.976 1.00 0.34 H new ATOM 0 HA ASP A 13 6.274 -4.137 -5.679 1.00 0.33 H new ATOM 0 HB2 ASP A 13 7.918 -5.566 -7.053 1.00 0.35 H new ATOM 0 HB3 ASP A 13 6.374 -6.340 -6.754 1.00 0.35 H new ATOM 204 N GLY A 14 8.423 -3.396 -7.412 1.00 0.30 N ATOM 205 CA GLY A 14 9.417 -2.423 -7.786 1.00 0.30 C ATOM 206 C GLY A 14 10.830 -2.818 -7.426 1.00 0.25 C ATOM 207 O GLY A 14 11.125 -3.237 -6.312 1.00 0.28 O ATOM 0 H GLY A 14 8.779 -4.346 -7.306 1.00 0.30 H new ATOM 0 HA2 GLY A 14 9.360 -2.256 -8.862 1.00 0.30 H new ATOM 0 HA3 GLY A 14 9.182 -1.474 -7.303 1.00 0.30 H new ATOM 211 N GLU A 15 11.687 -2.645 -8.397 1.00 0.26 N ATOM 212 CA GLU A 15 13.123 -2.863 -8.263 1.00 0.25 C ATOM 213 C GLU A 15 13.830 -1.515 -8.228 1.00 0.23 C ATOM 214 O GLU A 15 13.856 -0.801 -9.232 1.00 0.30 O ATOM 215 CB GLU A 15 13.665 -3.680 -9.447 1.00 0.33 C ATOM 216 CG GLU A 15 13.657 -5.190 -9.256 1.00 0.69 C ATOM 217 CD GLU A 15 12.267 -5.778 -9.124 1.00 1.11 C ATOM 218 OE1 GLU A 15 11.596 -5.953 -10.161 1.00 1.53 O ATOM 219 OE2 GLU A 15 11.857 -6.090 -7.990 1.00 1.48 O ATOM 0 H GLU A 15 11.410 -2.341 -9.330 1.00 0.26 H new ATOM 0 HA GLU A 15 13.307 -3.416 -7.342 1.00 0.25 H new ATOM 0 HB2 GLU A 15 13.076 -3.440 -10.332 1.00 0.33 H new ATOM 0 HB3 GLU A 15 14.688 -3.362 -9.648 1.00 0.33 H new ATOM 0 HG2 GLU A 15 14.161 -5.657 -10.102 1.00 0.69 H new ATOM 0 HG3 GLU A 15 14.233 -5.438 -8.365 1.00 0.69 H new ATOM 226 N VAL A 16 14.395 -1.144 -7.088 1.00 0.20 N ATOM 227 CA VAL A 16 14.971 0.130 -6.934 1.00 0.21 C ATOM 228 C VAL A 16 16.271 -0.030 -6.201 1.00 0.22 C ATOM 229 O VAL A 16 16.534 -1.053 -5.591 1.00 0.27 O ATOM 230 CB VAL A 16 14.052 1.083 -6.154 1.00 0.22 C ATOM 231 CG1 VAL A 16 12.602 0.901 -6.555 1.00 0.25 C ATOM 232 CG2 VAL A 16 14.234 0.948 -4.641 1.00 0.23 C ATOM 0 H VAL A 16 14.453 -1.737 -6.260 1.00 0.20 H new ATOM 0 HA VAL A 16 15.128 0.566 -7.920 1.00 0.21 H new ATOM 0 HB VAL A 16 14.346 2.098 -6.420 1.00 0.22 H new ATOM 0 HG11 VAL A 16 11.978 1.589 -5.985 1.00 0.25 H new ATOM 0 HG12 VAL A 16 12.490 1.106 -7.620 1.00 0.25 H new ATOM 0 HG13 VAL A 16 12.293 -0.124 -6.349 1.00 0.25 H new ATOM 0 HG21 VAL A 16 13.564 1.640 -4.131 1.00 0.23 H new ATOM 0 HG22 VAL A 16 14.002 -0.072 -4.336 1.00 0.23 H new ATOM 0 HG23 VAL A 16 15.266 1.180 -4.377 1.00 0.23 H new ATOM 242 N THR A 17 17.058 0.970 -6.284 1.00 0.23 N ATOM 243 CA THR A 17 18.357 0.994 -5.650 1.00 0.27 C ATOM 244 C THR A 17 18.253 1.679 -4.293 1.00 0.28 C ATOM 245 O THR A 17 17.344 2.484 -4.066 1.00 0.28 O ATOM 246 CB THR A 17 19.360 1.768 -6.515 1.00 0.35 C ATOM 247 OG1 THR A 17 18.942 1.729 -7.885 1.00 0.77 O ATOM 248 CG2 THR A 17 20.762 1.190 -6.400 1.00 0.56 C ATOM 0 H THR A 17 16.833 1.821 -6.799 1.00 0.23 H new ATOM 0 HA THR A 17 18.700 -0.033 -5.527 1.00 0.27 H new ATOM 0 HB THR A 17 19.387 2.797 -6.158 1.00 0.35 H new ATOM 0 HG1 THR A 17 19.582 2.225 -8.437 1.00 0.77 H new ATOM 0 HG21 THR A 17 21.445 1.764 -7.026 1.00 0.56 H new ATOM 0 HG22 THR A 17 21.092 1.240 -5.362 1.00 0.56 H new ATOM 0 HG23 THR A 17 20.755 0.151 -6.729 1.00 0.56 H new ATOM 256 N VAL A 18 19.181 1.368 -3.405 1.00 0.31 N ATOM 257 CA VAL A 18 19.239 2.007 -2.113 1.00 0.35 C ATOM 258 C VAL A 18 19.662 3.425 -2.287 1.00 0.36 C ATOM 259 O VAL A 18 20.809 3.751 -2.600 1.00 0.39 O ATOM 260 CB VAL A 18 20.222 1.371 -1.142 1.00 0.44 C ATOM 261 CG1 VAL A 18 20.099 1.994 0.237 1.00 0.76 C ATOM 262 CG2 VAL A 18 20.043 -0.127 -1.070 1.00 0.78 C ATOM 0 H VAL A 18 19.908 0.670 -3.562 1.00 0.31 H new ATOM 0 HA VAL A 18 18.239 1.905 -1.693 1.00 0.35 H new ATOM 0 HB VAL A 18 21.226 1.565 -1.519 1.00 0.44 H new ATOM 0 HG11 VAL A 18 20.812 1.523 0.914 1.00 0.76 H new ATOM 0 HG12 VAL A 18 20.309 3.062 0.174 1.00 0.76 H new ATOM 0 HG13 VAL A 18 19.087 1.845 0.615 1.00 0.76 H new ATOM 0 HG21 VAL A 18 20.762 -0.546 -0.367 1.00 0.78 H new ATOM 0 HG22 VAL A 18 19.032 -0.357 -0.735 1.00 0.78 H new ATOM 0 HG23 VAL A 18 20.206 -0.561 -2.057 1.00 0.78 H new ATOM 272 N GLY A 19 18.705 4.231 -2.097 1.00 0.38 N ATOM 273 CA GLY A 19 18.899 5.654 -2.136 1.00 0.45 C ATOM 274 C GLY A 19 18.089 6.309 -3.221 1.00 0.40 C ATOM 275 O GLY A 19 18.140 7.528 -3.381 1.00 0.48 O ATOM 0 H GLY A 19 17.746 3.941 -1.906 1.00 0.38 H new ATOM 0 HA2 GLY A 19 18.625 6.083 -1.172 1.00 0.45 H new ATOM 0 HA3 GLY A 19 19.956 5.871 -2.293 1.00 0.45 H new ATOM 279 N GLY A 20 17.339 5.521 -3.981 1.00 0.32 N ATOM 280 CA GLY A 20 16.448 6.093 -4.909 1.00 0.32 C ATOM 281 C GLY A 20 15.130 6.258 -4.273 1.00 0.30 C ATOM 282 O GLY A 20 14.980 6.835 -3.197 1.00 0.44 O ATOM 0 H GLY A 20 17.348 4.501 -3.955 1.00 0.32 H new ATOM 0 HA2 GLY A 20 16.826 7.058 -5.247 1.00 0.32 H new ATOM 0 HA3 GLY A 20 16.363 5.457 -5.790 1.00 0.32 H new ATOM 286 N SER A 21 14.191 5.722 -4.934 1.00 0.24 N ATOM 287 CA SER A 21 12.857 5.751 -4.516 1.00 0.22 C ATOM 288 C SER A 21 12.106 4.556 -5.027 1.00 0.22 C ATOM 289 O SER A 21 12.558 3.835 -5.910 1.00 0.25 O ATOM 290 CB SER A 21 12.223 7.006 -5.017 1.00 0.30 C ATOM 291 OG SER A 21 12.535 7.241 -6.378 1.00 0.82 O ATOM 0 H SER A 21 14.336 5.231 -5.816 1.00 0.24 H new ATOM 0 HA SER A 21 12.825 5.724 -3.427 1.00 0.22 H new ATOM 0 HB2 SER A 21 11.142 6.941 -4.897 1.00 0.30 H new ATOM 0 HB3 SER A 21 12.560 7.850 -4.415 1.00 0.30 H new ATOM 0 HG SER A 21 12.103 8.069 -6.674 1.00 0.82 H new ATOM 297 N ILE A 22 10.949 4.404 -4.472 1.00 0.22 N ATOM 298 CA ILE A 22 9.971 3.471 -4.911 1.00 0.24 C ATOM 299 C ILE A 22 8.605 4.069 -4.682 1.00 0.25 C ATOM 300 O ILE A 22 8.362 4.859 -3.777 1.00 0.27 O ATOM 301 CB ILE A 22 10.084 2.104 -4.229 1.00 0.25 C ATOM 302 CG1 ILE A 22 9.037 1.137 -4.762 1.00 0.29 C ATOM 303 CG2 ILE A 22 9.981 2.204 -2.717 1.00 0.29 C ATOM 304 CD1 ILE A 22 9.221 0.770 -6.216 1.00 0.32 C ATOM 0 H ILE A 22 10.649 4.952 -3.665 1.00 0.22 H new ATOM 0 HA ILE A 22 10.139 3.283 -5.971 1.00 0.24 H new ATOM 0 HB ILE A 22 11.075 1.718 -4.468 1.00 0.25 H new ATOM 0 HG12 ILE A 22 9.060 0.227 -4.163 1.00 0.29 H new ATOM 0 HG13 ILE A 22 8.049 1.579 -4.632 1.00 0.29 H new ATOM 0 HG21 ILE A 22 10.067 1.209 -2.280 1.00 0.29 H new ATOM 0 HG22 ILE A 22 10.784 2.837 -2.339 1.00 0.29 H new ATOM 0 HG23 ILE A 22 9.018 2.638 -2.446 1.00 0.29 H new ATOM 0 HD11 ILE A 22 8.435 0.078 -6.519 1.00 0.32 H new ATOM 0 HD12 ILE A 22 9.167 1.670 -6.828 1.00 0.32 H new ATOM 0 HD13 ILE A 22 10.193 0.297 -6.352 1.00 0.32 H new ATOM 316 N THR A 23 7.752 3.708 -5.542 1.00 0.25 N ATOM 317 CA THR A 23 6.406 4.231 -5.556 1.00 0.23 C ATOM 318 C THR A 23 5.422 3.138 -5.873 1.00 0.24 C ATOM 319 O THR A 23 5.597 2.378 -6.826 1.00 0.28 O ATOM 320 CB THR A 23 6.211 5.360 -6.585 1.00 0.26 C ATOM 321 OG1 THR A 23 7.252 6.341 -6.464 1.00 0.31 O ATOM 322 CG2 THR A 23 4.844 6.030 -6.410 1.00 0.24 C ATOM 0 H THR A 23 7.945 3.031 -6.280 1.00 0.25 H new ATOM 0 HA THR A 23 6.233 4.638 -4.560 1.00 0.23 H new ATOM 0 HB THR A 23 6.257 4.916 -7.579 1.00 0.26 H new ATOM 0 HG1 THR A 23 7.112 7.050 -7.127 1.00 0.31 H new ATOM 0 HG21 THR A 23 4.731 6.824 -7.148 1.00 0.24 H new ATOM 0 HG22 THR A 23 4.056 5.290 -6.549 1.00 0.24 H new ATOM 0 HG23 THR A 23 4.772 6.453 -5.408 1.00 0.24 H new ATOM 330 N PHE A 24 4.405 3.062 -5.061 1.00 0.24 N ATOM 331 CA PHE A 24 3.277 2.227 -5.342 1.00 0.27 C ATOM 332 C PHE A 24 2.012 3.056 -5.213 1.00 0.24 C ATOM 333 O PHE A 24 2.002 4.122 -4.596 1.00 0.30 O ATOM 334 CB PHE A 24 3.188 1.020 -4.408 1.00 0.40 C ATOM 335 CG PHE A 24 4.488 0.510 -3.857 1.00 0.33 C ATOM 336 CD1 PHE A 24 5.383 -0.163 -4.670 1.00 0.46 C ATOM 337 CD2 PHE A 24 4.830 0.741 -2.542 1.00 0.43 C ATOM 338 CE1 PHE A 24 6.594 -0.596 -4.177 1.00 0.53 C ATOM 339 CE2 PHE A 24 6.037 0.309 -2.038 1.00 0.51 C ATOM 340 CZ PHE A 24 6.851 -0.502 -2.823 1.00 0.49 C ATOM 0 H PHE A 24 4.337 3.579 -4.185 1.00 0.24 H new ATOM 0 HA PHE A 24 3.394 1.841 -6.355 1.00 0.27 H new ATOM 0 HB2 PHE A 24 2.541 1.282 -3.571 1.00 0.40 H new ATOM 0 HB3 PHE A 24 2.701 0.206 -4.945 1.00 0.40 H new ATOM 0 HD1 PHE A 24 5.129 -0.351 -5.703 1.00 0.46 H new ATOM 0 HD2 PHE A 24 4.142 1.268 -1.898 1.00 0.43 H new ATOM 0 HE1 PHE A 24 7.337 -1.006 -4.844 1.00 0.53 H new ATOM 0 HE2 PHE A 24 6.348 0.597 -1.045 1.00 0.51 H new ATOM 0 HZ PHE A 24 7.670 -1.049 -2.381 1.00 0.49 H new ATOM 350 N SER A 25 0.968 2.561 -5.810 1.00 0.28 N ATOM 351 CA SER A 25 -0.325 3.184 -5.783 1.00 0.28 C ATOM 352 C SER A 25 -1.388 2.105 -5.646 1.00 0.27 C ATOM 353 O SER A 25 -1.390 1.127 -6.389 1.00 0.31 O ATOM 354 CB SER A 25 -0.560 3.979 -7.060 1.00 0.35 C ATOM 355 OG SER A 25 0.638 4.117 -7.800 1.00 0.58 O ATOM 0 H SER A 25 0.991 1.691 -6.343 1.00 0.28 H new ATOM 0 HA SER A 25 -0.377 3.869 -4.937 1.00 0.28 H new ATOM 0 HB2 SER A 25 -1.313 3.480 -7.670 1.00 0.35 H new ATOM 0 HB3 SER A 25 -0.954 4.965 -6.812 1.00 0.35 H new ATOM 0 HG SER A 25 0.461 4.630 -8.616 1.00 0.58 H new ATOM 361 N ALA A 26 -2.264 2.290 -4.697 1.00 0.26 N ATOM 362 CA ALA A 26 -3.332 1.330 -4.427 1.00 0.26 C ATOM 363 C ALA A 26 -4.693 2.003 -4.454 1.00 0.22 C ATOM 364 O ALA A 26 -4.918 3.006 -3.776 1.00 0.25 O ATOM 365 CB ALA A 26 -3.121 0.640 -3.088 1.00 0.32 C ATOM 0 H ALA A 26 -2.269 3.104 -4.083 1.00 0.26 H new ATOM 0 HA ALA A 26 -3.301 0.578 -5.215 1.00 0.26 H new ATOM 0 HB1 ALA A 26 -3.930 -0.069 -2.913 1.00 0.32 H new ATOM 0 HB2 ALA A 26 -2.169 0.109 -3.098 1.00 0.32 H new ATOM 0 HB3 ALA A 26 -3.112 1.385 -2.292 1.00 0.32 H new ATOM 371 N ARG A 27 -5.599 1.447 -5.235 1.00 0.22 N ATOM 372 CA ARG A 27 -6.927 2.019 -5.387 1.00 0.25 C ATOM 373 C ARG A 27 -7.964 1.152 -4.693 1.00 0.23 C ATOM 374 O ARG A 27 -8.124 -0.021 -5.032 1.00 0.31 O ATOM 375 CB ARG A 27 -7.274 2.158 -6.867 1.00 0.36 C ATOM 376 CG ARG A 27 -6.339 3.079 -7.626 1.00 0.28 C ATOM 377 CD ARG A 27 -6.700 3.136 -9.101 1.00 0.46 C ATOM 378 NE ARG A 27 -5.823 4.020 -9.863 1.00 1.22 N ATOM 379 CZ ARG A 27 -6.163 4.570 -11.031 1.00 1.55 C ATOM 380 NH1 ARG A 27 -7.357 4.337 -11.557 1.00 1.46 N ATOM 381 NH2 ARG A 27 -5.303 5.343 -11.675 1.00 2.43 N ATOM 0 H ARG A 27 -5.441 0.597 -5.776 1.00 0.22 H new ATOM 0 HA ARG A 27 -6.931 3.006 -4.925 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -7.254 1.172 -7.330 1.00 0.36 H new ATOM 0 HB3 ARG A 27 -8.293 2.533 -6.959 1.00 0.36 H new ATOM 0 HG2 ARG A 27 -6.385 4.081 -7.199 1.00 0.28 H new ATOM 0 HG3 ARG A 27 -5.312 2.732 -7.514 1.00 0.28 H new ATOM 0 HD2 ARG A 27 -6.651 2.132 -9.522 1.00 0.46 H new ATOM 0 HD3 ARG A 27 -7.731 3.475 -9.206 1.00 0.46 H new ATOM 0 HE ARG A 27 -4.900 4.229 -9.482 1.00 1.22 H new ATOM 0 HH11 ARG A 27 -8.021 3.735 -11.069 1.00 1.46 H new ATOM 0 HH12 ARG A 27 -7.612 4.759 -12.450 1.00 1.46 H new ATOM 0 HH21 ARG A 27 -4.380 5.519 -11.279 1.00 2.43 H new ATOM 0 HH22 ARG A 27 -5.564 5.763 -12.567 1.00 2.43 H new ATOM 395 N VAL A 28 -8.681 1.737 -3.742 1.00 0.19 N ATOM 396 CA VAL A 28 -9.642 1.005 -2.962 1.00 0.20 C ATOM 397 C VAL A 28 -11.008 1.643 -3.070 1.00 0.23 C ATOM 398 O VAL A 28 -11.189 2.841 -2.873 1.00 0.24 O ATOM 399 CB VAL A 28 -9.257 0.902 -1.479 1.00 0.22 C ATOM 400 CG1 VAL A 28 -10.165 -0.095 -0.775 1.00 0.26 C ATOM 401 CG2 VAL A 28 -7.792 0.516 -1.337 1.00 0.23 C ATOM 0 H VAL A 28 -8.606 2.725 -3.499 1.00 0.19 H new ATOM 0 HA VAL A 28 -9.660 -0.004 -3.373 1.00 0.20 H new ATOM 0 HB VAL A 28 -9.390 1.875 -1.006 1.00 0.22 H new ATOM 0 HG11 VAL A 28 -9.885 -0.162 0.276 1.00 0.26 H new ATOM 0 HG12 VAL A 28 -11.200 0.236 -0.855 1.00 0.26 H new ATOM 0 HG13 VAL A 28 -10.061 -1.075 -1.242 1.00 0.26 H new ATOM 0 HG21 VAL A 28 -7.535 0.447 -0.280 1.00 0.23 H new ATOM 0 HG22 VAL A 28 -7.622 -0.448 -1.816 1.00 0.23 H new ATOM 0 HG23 VAL A 28 -7.169 1.272 -1.814 1.00 0.23 H new ATOM 411 N ALA A 29 -11.936 0.804 -3.407 1.00 0.29 N ATOM 412 CA ALA A 29 -13.319 1.158 -3.621 1.00 0.32 C ATOM 413 C ALA A 29 -13.987 1.734 -2.386 1.00 0.34 C ATOM 414 O ALA A 29 -14.245 1.030 -1.409 1.00 0.40 O ATOM 415 CB ALA A 29 -14.075 -0.066 -4.083 1.00 0.38 C ATOM 0 H ALA A 29 -11.751 -0.189 -3.548 1.00 0.29 H new ATOM 0 HA ALA A 29 -13.339 1.940 -4.380 1.00 0.32 H new ATOM 0 HB1 ALA A 29 -15.121 0.193 -4.247 1.00 0.38 H new ATOM 0 HB2 ALA A 29 -13.641 -0.432 -5.014 1.00 0.38 H new ATOM 0 HB3 ALA A 29 -14.009 -0.843 -3.322 1.00 0.38 H new ATOM 421 N GLY A 30 -14.269 3.020 -2.464 1.00 0.35 N ATOM 422 CA GLY A 30 -15.074 3.694 -1.462 1.00 0.42 C ATOM 423 C GLY A 30 -16.416 3.012 -1.250 1.00 0.50 C ATOM 424 O GLY A 30 -16.823 2.777 -0.123 1.00 0.76 O ATOM 0 H GLY A 30 -13.949 3.625 -3.220 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -14.529 3.721 -0.518 1.00 0.42 H new ATOM 0 HA3 GLY A 30 -15.238 4.728 -1.765 1.00 0.42 H new ATOM 428 N ALA A 31 -17.097 2.728 -2.358 1.00 0.49 N ATOM 429 CA ALA A 31 -18.343 1.949 -2.373 1.00 0.55 C ATOM 430 C ALA A 31 -19.431 2.551 -1.483 1.00 0.64 C ATOM 431 O ALA A 31 -19.333 3.687 -1.022 1.00 0.71 O ATOM 432 CB ALA A 31 -18.074 0.499 -1.973 1.00 0.58 C ATOM 0 H ALA A 31 -16.799 3.034 -3.284 1.00 0.49 H new ATOM 0 HA ALA A 31 -18.717 1.979 -3.396 1.00 0.55 H new ATOM 0 HB1 ALA A 31 -19.008 -0.062 -1.990 1.00 0.58 H new ATOM 0 HB2 ALA A 31 -17.370 0.053 -2.675 1.00 0.58 H new ATOM 0 HB3 ALA A 31 -17.652 0.471 -0.968 1.00 0.58 H new ATOM 438 N SER A 32 -20.496 1.784 -1.303 1.00 0.85 N ATOM 439 CA SER A 32 -21.555 2.127 -0.367 1.00 0.96 C ATOM 440 C SER A 32 -21.563 1.090 0.756 1.00 1.01 C ATOM 441 O SER A 32 -22.609 0.677 1.263 1.00 1.69 O ATOM 442 CB SER A 32 -22.899 2.169 -1.098 1.00 1.19 C ATOM 443 OG SER A 32 -22.832 3.039 -2.219 1.00 1.74 O ATOM 0 H SER A 32 -20.650 0.907 -1.801 1.00 0.85 H new ATOM 0 HA SER A 32 -21.382 3.114 0.063 1.00 0.96 H new ATOM 0 HB2 SER A 32 -23.172 1.166 -1.425 1.00 1.19 H new ATOM 0 HB3 SER A 32 -23.680 2.506 -0.416 1.00 1.19 H new ATOM 0 HG SER A 32 -23.699 3.052 -2.675 1.00 1.74 H new ATOM 449 N LEU A 33 -20.359 0.653 1.095 1.00 0.96 N ATOM 450 CA LEU A 33 -20.111 -0.298 2.178 1.00 0.93 C ATOM 451 C LEU A 33 -20.603 0.196 3.547 1.00 0.90 C ATOM 452 O LEU A 33 -21.034 1.341 3.692 1.00 0.98 O ATOM 453 CB LEU A 33 -18.611 -0.657 2.230 1.00 0.99 C ATOM 454 CG LEU A 33 -17.572 0.457 2.520 1.00 1.26 C ATOM 455 CD1 LEU A 33 -16.423 0.333 1.528 1.00 2.16 C ATOM 456 CD2 LEU A 33 -18.138 1.878 2.483 1.00 1.95 C ATOM 0 H LEU A 33 -19.509 0.953 0.618 1.00 0.96 H new ATOM 0 HA LEU A 33 -20.694 -1.192 1.955 1.00 0.93 H new ATOM 0 HB2 LEU A 33 -18.485 -1.428 2.990 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -18.349 -1.108 1.273 1.00 0.99 H new ATOM 0 HG LEU A 33 -17.233 0.304 3.545 1.00 1.26 H new ATOM 0 HD11 LEU A 33 -15.687 1.113 1.724 1.00 2.16 H new ATOM 0 HD12 LEU A 33 -15.953 -0.645 1.636 1.00 2.16 H new ATOM 0 HD13 LEU A 33 -16.805 0.442 0.513 1.00 2.16 H new ATOM 0 HD21 LEU A 33 -17.343 2.592 2.697 1.00 1.95 H new ATOM 0 HD22 LEU A 33 -18.551 2.080 1.495 1.00 1.95 H new ATOM 0 HD23 LEU A 33 -18.924 1.976 3.231 1.00 1.95 H new ATOM 468 N LEU A 34 -20.536 -0.689 4.547 1.00 0.87 N ATOM 469 CA LEU A 34 -20.996 -0.374 5.900 1.00 0.89 C ATOM 470 C LEU A 34 -20.236 0.828 6.451 1.00 0.84 C ATOM 471 O LEU A 34 -20.827 1.779 6.966 1.00 0.95 O ATOM 472 CB LEU A 34 -20.792 -1.577 6.819 1.00 1.01 C ATOM 473 CG LEU A 34 -21.489 -1.467 8.170 1.00 1.22 C ATOM 474 CD1 LEU A 34 -22.995 -1.629 8.019 1.00 1.45 C ATOM 475 CD2 LEU A 34 -20.924 -2.484 9.148 1.00 1.47 C ATOM 0 H LEU A 34 -20.165 -1.633 4.442 1.00 0.87 H new ATOM 0 HA LEU A 34 -22.058 -0.133 5.857 1.00 0.89 H new ATOM 0 HB2 LEU A 34 -21.152 -2.471 6.311 1.00 1.01 H new ATOM 0 HB3 LEU A 34 -19.724 -1.713 6.986 1.00 1.01 H new ATOM 0 HG LEU A 34 -21.301 -0.471 8.572 1.00 1.22 H new ATOM 0 HD11 LEU A 34 -23.470 -1.547 8.997 1.00 1.45 H new ATOM 0 HD12 LEU A 34 -23.381 -0.850 7.362 1.00 1.45 H new ATOM 0 HD13 LEU A 34 -23.215 -2.607 7.590 1.00 1.45 H new ATOM 0 HD21 LEU A 34 -21.434 -2.390 10.106 1.00 1.47 H new ATOM 0 HD22 LEU A 34 -21.074 -3.489 8.755 1.00 1.47 H new ATOM 0 HD23 LEU A 34 -19.858 -2.303 9.285 1.00 1.47 H new ATOM 487 N LYS A 35 -18.921 0.760 6.338 1.00 0.76 N ATOM 488 CA LYS A 35 -18.054 1.863 6.692 1.00 0.76 C ATOM 489 C LYS A 35 -16.886 1.869 5.729 1.00 0.65 C ATOM 490 O LYS A 35 -16.527 0.810 5.223 1.00 0.75 O ATOM 491 CB LYS A 35 -17.593 1.762 8.165 1.00 0.90 C ATOM 492 CG LYS A 35 -16.987 0.419 8.570 1.00 0.92 C ATOM 493 CD LYS A 35 -15.540 0.273 8.115 1.00 0.90 C ATOM 494 CE LYS A 35 -14.974 -1.102 8.446 1.00 1.00 C ATOM 495 NZ LYS A 35 -14.720 -1.276 9.905 1.00 1.40 N ATOM 0 H LYS A 35 -18.426 -0.064 5.997 1.00 0.76 H new ATOM 0 HA LYS A 35 -18.593 2.807 6.610 1.00 0.76 H new ATOM 0 HB2 LYS A 35 -16.858 2.545 8.353 1.00 0.90 H new ATOM 0 HB3 LYS A 35 -18.447 1.966 8.810 1.00 0.90 H new ATOM 0 HG2 LYS A 35 -17.037 0.313 9.654 1.00 0.92 H new ATOM 0 HG3 LYS A 35 -17.582 -0.388 8.143 1.00 0.92 H new ATOM 0 HD2 LYS A 35 -15.479 0.441 7.040 1.00 0.90 H new ATOM 0 HD3 LYS A 35 -14.931 1.040 8.592 1.00 0.90 H new ATOM 0 HE2 LYS A 35 -15.670 -1.870 8.107 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -14.044 -1.251 7.898 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -14.336 -2.227 10.080 1.00 1.40 H new ATOM 0 HZ2 LYS A 35 -14.036 -0.562 10.226 1.00 1.40 H new ATOM 0 HZ3 LYS A 35 -15.611 -1.161 10.429 1.00 1.40 H new ATOM 509 N PRO A 36 -16.310 3.053 5.440 1.00 0.65 N ATOM 510 CA PRO A 36 -15.209 3.204 4.479 1.00 0.56 C ATOM 511 C PRO A 36 -14.145 2.132 4.673 1.00 0.45 C ATOM 512 O PRO A 36 -13.851 1.759 5.811 1.00 0.47 O ATOM 513 CB PRO A 36 -14.635 4.597 4.789 1.00 0.61 C ATOM 514 CG PRO A 36 -15.350 5.070 6.016 1.00 0.88 C ATOM 515 CD PRO A 36 -16.659 4.341 6.043 1.00 0.88 C ATOM 0 HA PRO A 36 -15.547 3.100 3.448 1.00 0.56 H new ATOM 0 HB2 PRO A 36 -13.559 4.548 4.958 1.00 0.61 H new ATOM 0 HB3 PRO A 36 -14.796 5.280 3.955 1.00 0.61 H new ATOM 0 HG2 PRO A 36 -14.767 4.858 6.912 1.00 0.88 H new ATOM 0 HG3 PRO A 36 -15.505 6.148 5.985 1.00 0.88 H new ATOM 0 HD2 PRO A 36 -17.039 4.225 7.058 1.00 0.88 H new ATOM 0 HD3 PRO A 36 -17.427 4.863 5.472 1.00 0.88 H new ATOM 523 N PRO A 37 -13.555 1.616 3.578 1.00 0.40 N ATOM 524 CA PRO A 37 -12.617 0.502 3.680 1.00 0.35 C ATOM 525 C PRO A 37 -11.477 0.778 4.644 1.00 0.32 C ATOM 526 O PRO A 37 -10.889 1.860 4.664 1.00 0.36 O ATOM 527 CB PRO A 37 -12.047 0.328 2.283 1.00 0.40 C ATOM 528 CG PRO A 37 -12.815 1.227 1.364 1.00 0.53 C ATOM 529 CD PRO A 37 -13.716 2.105 2.185 1.00 0.47 C ATOM 0 HA PRO A 37 -13.132 -0.382 4.057 1.00 0.35 H new ATOM 0 HB2 PRO A 37 -10.987 0.581 2.268 1.00 0.40 H new ATOM 0 HB3 PRO A 37 -12.132 -0.710 1.962 1.00 0.40 H new ATOM 0 HG2 PRO A 37 -12.131 1.836 0.773 1.00 0.53 H new ATOM 0 HG3 PRO A 37 -13.402 0.636 0.662 1.00 0.53 H new ATOM 0 HD2 PRO A 37 -13.432 3.154 2.099 1.00 0.47 H new ATOM 0 HD3 PRO A 37 -14.752 2.027 1.856 1.00 0.47 H new ATOM 537 N VAL A 38 -11.158 -0.220 5.431 1.00 0.29 N ATOM 538 CA VAL A 38 -10.021 -0.149 6.291 1.00 0.27 C ATOM 539 C VAL A 38 -8.941 -0.884 5.590 1.00 0.22 C ATOM 540 O VAL A 38 -8.928 -2.110 5.514 1.00 0.20 O ATOM 541 CB VAL A 38 -10.204 -0.812 7.651 1.00 0.31 C ATOM 542 CG1 VAL A 38 -9.130 -0.347 8.622 1.00 0.72 C ATOM 543 CG2 VAL A 38 -11.589 -0.567 8.206 1.00 0.77 C ATOM 0 H VAL A 38 -11.680 -1.095 5.488 1.00 0.29 H new ATOM 0 HA VAL A 38 -9.819 0.904 6.487 1.00 0.27 H new ATOM 0 HB VAL A 38 -10.097 -1.888 7.516 1.00 0.31 H new ATOM 0 HG11 VAL A 38 -9.278 -0.831 9.587 1.00 0.72 H new ATOM 0 HG12 VAL A 38 -8.147 -0.610 8.231 1.00 0.72 H new ATOM 0 HG13 VAL A 38 -9.194 0.734 8.745 1.00 0.72 H new ATOM 0 HG21 VAL A 38 -11.684 -1.054 9.176 1.00 0.77 H new ATOM 0 HG22 VAL A 38 -11.751 0.505 8.321 1.00 0.77 H new ATOM 0 HG23 VAL A 38 -12.333 -0.975 7.521 1.00 0.77 H new ATOM 553 N VAL A 39 -8.070 -0.130 5.072 1.00 0.22 N ATOM 554 CA VAL A 39 -6.966 -0.647 4.347 1.00 0.21 C ATOM 555 C VAL A 39 -5.733 -0.377 5.148 1.00 0.20 C ATOM 556 O VAL A 39 -5.336 0.770 5.359 1.00 0.23 O ATOM 557 CB VAL A 39 -6.777 0.033 2.991 1.00 0.24 C ATOM 558 CG1 VAL A 39 -5.958 -0.846 2.055 1.00 0.28 C ATOM 559 CG2 VAL A 39 -8.110 0.435 2.376 1.00 0.24 C ATOM 0 H VAL A 39 -8.092 0.888 5.133 1.00 0.22 H new ATOM 0 HA VAL A 39 -7.148 -1.708 4.176 1.00 0.21 H new ATOM 0 HB VAL A 39 -6.216 0.954 3.151 1.00 0.24 H new ATOM 0 HG11 VAL A 39 -5.836 -0.342 1.096 1.00 0.28 H new ATOM 0 HG12 VAL A 39 -4.978 -1.031 2.495 1.00 0.28 H new ATOM 0 HG13 VAL A 39 -6.473 -1.795 1.903 1.00 0.28 H new ATOM 0 HG21 VAL A 39 -7.936 0.915 1.413 1.00 0.24 H new ATOM 0 HG22 VAL A 39 -8.727 -0.452 2.233 1.00 0.24 H new ATOM 0 HG23 VAL A 39 -8.623 1.130 3.041 1.00 0.24 H new ATOM 569 N LYS A 40 -5.153 -1.426 5.597 1.00 0.19 N ATOM 570 CA LYS A 40 -3.906 -1.363 6.249 1.00 0.20 C ATOM 571 C LYS A 40 -2.836 -1.836 5.333 1.00 0.19 C ATOM 572 O LYS A 40 -2.937 -2.848 4.638 1.00 0.21 O ATOM 573 CB LYS A 40 -3.900 -2.150 7.548 1.00 0.26 C ATOM 574 CG LYS A 40 -4.216 -3.629 7.399 1.00 0.31 C ATOM 575 CD LYS A 40 -2.969 -4.458 7.090 1.00 0.37 C ATOM 576 CE LYS A 40 -1.881 -4.223 8.122 1.00 0.86 C ATOM 577 NZ LYS A 40 -0.643 -4.987 7.823 1.00 1.54 N ATOM 0 H LYS A 40 -5.540 -2.367 5.519 1.00 0.19 H new ATOM 0 HA LYS A 40 -3.716 -0.323 6.514 1.00 0.20 H new ATOM 0 HB2 LYS A 40 -2.920 -2.047 8.014 1.00 0.26 H new ATOM 0 HB3 LYS A 40 -4.625 -1.705 8.229 1.00 0.26 H new ATOM 0 HG2 LYS A 40 -4.675 -3.995 8.317 1.00 0.31 H new ATOM 0 HG3 LYS A 40 -4.947 -3.764 6.602 1.00 0.31 H new ATOM 0 HD2 LYS A 40 -3.230 -5.516 7.068 1.00 0.37 H new ATOM 0 HD3 LYS A 40 -2.595 -4.201 6.099 1.00 0.37 H new ATOM 0 HE2 LYS A 40 -1.647 -3.159 8.164 1.00 0.86 H new ATOM 0 HE3 LYS A 40 -2.251 -4.507 9.107 1.00 0.86 H new ATOM 0 HZ1 LYS A 40 -0.340 -5.504 8.673 1.00 1.54 H new ATOM 0 HZ2 LYS A 40 -0.829 -5.663 7.055 1.00 1.54 H new ATOM 0 HZ3 LYS A 40 0.109 -4.330 7.532 1.00 1.54 H new ATOM 591 N TRP A 41 -1.857 -1.032 5.296 1.00 0.18 N ATOM 592 CA TRP A 41 -0.658 -1.327 4.591 1.00 0.19 C ATOM 593 C TRP A 41 0.351 -2.012 5.487 1.00 0.21 C ATOM 594 O TRP A 41 0.305 -1.902 6.708 1.00 0.28 O ATOM 595 CB TRP A 41 -0.085 -0.050 4.052 1.00 0.21 C ATOM 596 CG TRP A 41 -0.890 0.538 2.952 1.00 0.21 C ATOM 597 CD1 TRP A 41 -1.984 1.342 3.064 1.00 0.23 C ATOM 598 CD2 TRP A 41 -0.661 0.352 1.566 1.00 0.23 C ATOM 599 NE1 TRP A 41 -2.397 1.735 1.809 1.00 0.24 N ATOM 600 CE2 TRP A 41 -1.613 1.115 0.879 1.00 0.23 C ATOM 601 CE3 TRP A 41 0.270 -0.381 0.843 1.00 0.29 C ATOM 602 CZ2 TRP A 41 -1.658 1.160 -0.502 1.00 0.27 C ATOM 603 CZ3 TRP A 41 0.225 -0.337 -0.530 1.00 0.34 C ATOM 604 CH2 TRP A 41 -0.732 0.429 -1.190 1.00 0.33 C ATOM 0 H TRP A 41 -1.854 -0.125 5.762 1.00 0.18 H new ATOM 0 HA TRP A 41 -0.889 -2.008 3.772 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -0.006 0.675 4.862 1.00 0.21 H new ATOM 0 HB3 TRP A 41 0.927 -0.237 3.692 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -2.455 1.627 3.993 1.00 0.23 H new ATOM 0 HE1 TRP A 41 -3.161 2.381 1.609 1.00 0.24 H new ATOM 0 HE3 TRP A 41 1.016 -0.975 1.350 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -2.399 1.752 -1.018 1.00 0.27 H new ATOM 0 HZ3 TRP A 41 0.942 -0.904 -1.105 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -0.742 0.446 -2.270 1.00 0.33 H new ATOM 615 N PHE A 42 1.248 -2.717 4.857 1.00 0.21 N ATOM 616 CA PHE A 42 2.355 -3.360 5.523 1.00 0.23 C ATOM 617 C PHE A 42 3.571 -2.990 4.730 1.00 0.26 C ATOM 618 O PHE A 42 3.553 -3.103 3.511 1.00 0.34 O ATOM 619 CB PHE A 42 2.182 -4.877 5.520 1.00 0.26 C ATOM 620 CG PHE A 42 3.120 -5.628 6.423 1.00 0.30 C ATOM 621 CD1 PHE A 42 4.427 -5.878 6.032 1.00 0.37 C ATOM 622 CD2 PHE A 42 2.691 -6.097 7.653 1.00 0.49 C ATOM 623 CE1 PHE A 42 5.287 -6.581 6.850 1.00 0.50 C ATOM 624 CE2 PHE A 42 3.549 -6.801 8.477 1.00 0.62 C ATOM 625 CZ PHE A 42 4.849 -7.042 8.074 1.00 0.60 C ATOM 0 H PHE A 42 1.234 -2.866 3.848 1.00 0.21 H new ATOM 0 HA PHE A 42 2.427 -3.044 6.564 1.00 0.23 H new ATOM 0 HB2 PHE A 42 1.158 -5.111 5.811 1.00 0.26 H new ATOM 0 HB3 PHE A 42 2.315 -5.240 4.501 1.00 0.26 H new ATOM 0 HD1 PHE A 42 4.776 -5.518 5.075 1.00 0.37 H new ATOM 0 HD2 PHE A 42 1.676 -5.911 7.972 1.00 0.49 H new ATOM 0 HE1 PHE A 42 6.302 -6.770 6.532 1.00 0.50 H new ATOM 0 HE2 PHE A 42 3.204 -7.162 9.435 1.00 0.62 H new ATOM 0 HZ PHE A 42 5.521 -7.591 8.717 1.00 0.60 H new ATOM 635 N LYS A 43 4.608 -2.530 5.376 1.00 0.28 N ATOM 636 CA LYS A 43 5.755 -2.093 4.641 1.00 0.31 C ATOM 637 C LYS A 43 6.821 -3.107 4.889 1.00 0.39 C ATOM 638 O LYS A 43 7.395 -3.147 5.985 1.00 0.81 O ATOM 639 CB LYS A 43 6.259 -0.725 5.084 1.00 0.40 C ATOM 640 CG LYS A 43 7.693 -0.481 4.660 1.00 0.54 C ATOM 641 CD LYS A 43 8.171 0.877 5.076 1.00 0.67 C ATOM 642 CE LYS A 43 8.264 0.998 6.584 1.00 1.29 C ATOM 643 NZ LYS A 43 8.868 2.284 7.012 1.00 2.17 N ATOM 0 H LYS A 43 4.680 -2.450 6.390 1.00 0.28 H new ATOM 0 HA LYS A 43 5.491 -1.998 3.588 1.00 0.31 H new ATOM 0 HB2 LYS A 43 5.620 0.050 4.662 1.00 0.40 H new ATOM 0 HB3 LYS A 43 6.183 -0.645 6.168 1.00 0.40 H new ATOM 0 HG2 LYS A 43 8.337 -1.243 5.099 1.00 0.54 H new ATOM 0 HG3 LYS A 43 7.774 -0.579 3.577 1.00 0.54 H new ATOM 0 HD2 LYS A 43 9.148 1.071 4.634 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.491 1.637 4.691 1.00 0.67 H new ATOM 0 HE2 LYS A 43 7.267 0.907 7.015 1.00 1.29 H new ATOM 0 HE3 LYS A 43 8.858 0.172 6.976 1.00 1.29 H new ATOM 0 HZ1 LYS A 43 8.941 2.305 8.049 1.00 2.17 H new ATOM 0 HZ2 LYS A 43 9.817 2.377 6.596 1.00 2.17 H new ATOM 0 HZ3 LYS A 43 8.270 3.072 6.691 1.00 2.17 H new ATOM 657 N GLY A 44 7.087 -3.940 3.934 1.00 0.64 N ATOM 658 CA GLY A 44 7.849 -5.089 4.303 1.00 0.92 C ATOM 659 C GLY A 44 9.313 -4.864 4.321 1.00 0.39 C ATOM 660 O GLY A 44 10.004 -5.040 3.329 1.00 1.23 O ATOM 0 H GLY A 44 6.810 -3.859 2.956 1.00 0.64 H new ATOM 0 HA2 GLY A 44 7.531 -5.420 5.292 1.00 0.92 H new ATOM 0 HA3 GLY A 44 7.625 -5.899 3.608 1.00 0.92 H new ATOM 664 N LYS A 45 9.762 -4.492 5.487 1.00 0.85 N ATOM 665 CA LYS A 45 10.980 -4.960 6.057 1.00 1.06 C ATOM 666 C LYS A 45 10.534 -5.943 7.129 1.00 0.74 C ATOM 667 O LYS A 45 11.219 -6.907 7.471 1.00 0.82 O ATOM 668 CB LYS A 45 11.765 -3.791 6.653 1.00 1.67 C ATOM 669 CG LYS A 45 13.249 -3.797 6.336 1.00 2.44 C ATOM 670 CD LYS A 45 13.935 -5.069 6.792 1.00 2.82 C ATOM 671 CE LYS A 45 14.158 -5.102 8.297 1.00 2.98 C ATOM 672 NZ LYS A 45 15.093 -4.039 8.764 1.00 3.87 N ATOM 0 H LYS A 45 9.266 -3.830 6.083 1.00 0.85 H new ATOM 0 HA LYS A 45 11.645 -5.428 5.331 1.00 1.06 H new ATOM 0 HB2 LYS A 45 11.333 -2.858 6.290 1.00 1.67 H new ATOM 0 HB3 LYS A 45 11.638 -3.800 7.736 1.00 1.67 H new ATOM 0 HG2 LYS A 45 13.388 -3.678 5.261 1.00 2.44 H new ATOM 0 HG3 LYS A 45 13.723 -2.941 6.815 1.00 2.44 H new ATOM 0 HD2 LYS A 45 13.333 -5.929 6.498 1.00 2.82 H new ATOM 0 HD3 LYS A 45 14.894 -5.163 6.283 1.00 2.82 H new ATOM 0 HE2 LYS A 45 13.200 -4.986 8.805 1.00 2.98 H new ATOM 0 HE3 LYS A 45 14.553 -6.078 8.580 1.00 2.98 H new ATOM 0 HZ1 LYS A 45 15.435 -4.272 9.718 1.00 3.87 H new ATOM 0 HZ2 LYS A 45 15.901 -3.977 8.112 1.00 3.87 H new ATOM 0 HZ3 LYS A 45 14.596 -3.126 8.788 1.00 3.87 H new ATOM 686 N TRP A 46 9.305 -5.646 7.612 1.00 0.58 N ATOM 687 CA TRP A 46 8.723 -6.190 8.834 1.00 0.57 C ATOM 688 C TRP A 46 7.573 -5.317 9.346 1.00 0.63 C ATOM 689 O TRP A 46 6.731 -5.759 10.126 1.00 0.74 O ATOM 690 CB TRP A 46 9.752 -6.229 9.936 1.00 0.76 C ATOM 691 CG TRP A 46 10.358 -4.902 10.279 1.00 0.97 C ATOM 692 CD1 TRP A 46 11.281 -4.250 9.546 1.00 1.19 C ATOM 693 CD2 TRP A 46 10.110 -4.090 11.429 1.00 1.27 C ATOM 694 NE1 TRP A 46 11.611 -3.060 10.116 1.00 1.38 N ATOM 695 CE2 TRP A 46 10.910 -2.935 11.296 1.00 1.42 C ATOM 696 CE3 TRP A 46 9.283 -4.219 12.549 1.00 1.66 C ATOM 697 CZ2 TRP A 46 10.903 -1.916 12.248 1.00 1.78 C ATOM 698 CZ3 TRP A 46 9.280 -3.208 13.491 1.00 2.10 C ATOM 699 CH2 TRP A 46 10.082 -2.071 13.334 1.00 2.11 C ATOM 0 H TRP A 46 8.679 -4.997 7.135 1.00 0.58 H new ATOM 0 HA TRP A 46 8.363 -7.189 8.587 1.00 0.57 H new ATOM 0 HB2 TRP A 46 9.289 -6.643 10.832 1.00 0.76 H new ATOM 0 HB3 TRP A 46 10.550 -6.912 9.645 1.00 0.76 H new ATOM 0 HD1 TRP A 46 11.704 -4.624 8.625 1.00 1.19 H new ATOM 0 HE1 TRP A 46 12.266 -2.377 9.735 1.00 1.38 H new ATOM 0 HE3 TRP A 46 8.659 -5.091 12.675 1.00 1.66 H new ATOM 0 HZ2 TRP A 46 11.521 -1.038 12.134 1.00 1.78 H new ATOM 0 HZ3 TRP A 46 8.649 -3.296 14.363 1.00 2.10 H new ATOM 0 HH2 TRP A 46 10.053 -1.297 14.087 1.00 2.11 H new ATOM 710 N VAL A 47 7.569 -4.078 8.896 1.00 0.63 N ATOM 711 CA VAL A 47 6.824 -3.016 9.469 1.00 0.74 C ATOM 712 C VAL A 47 5.470 -2.850 8.830 1.00 0.59 C ATOM 713 O VAL A 47 5.141 -3.429 7.800 1.00 0.57 O ATOM 714 CB VAL A 47 7.573 -1.667 9.338 1.00 0.90 C ATOM 715 CG1 VAL A 47 7.864 -1.082 10.696 1.00 1.20 C ATOM 716 CG2 VAL A 47 8.865 -1.775 8.538 1.00 1.29 C ATOM 0 H VAL A 47 8.115 -3.789 8.084 1.00 0.63 H new ATOM 0 HA VAL A 47 6.697 -3.283 10.518 1.00 0.74 H new ATOM 0 HB VAL A 47 6.906 -1.004 8.787 1.00 0.90 H new ATOM 0 HG11 VAL A 47 8.391 -0.135 10.579 1.00 1.20 H new ATOM 0 HG12 VAL A 47 6.928 -0.913 11.228 1.00 1.20 H new ATOM 0 HG13 VAL A 47 8.485 -1.774 11.265 1.00 1.20 H new ATOM 0 HG21 VAL A 47 9.342 -0.796 8.483 1.00 1.29 H new ATOM 0 HG22 VAL A 47 9.538 -2.479 9.027 1.00 1.29 H new ATOM 0 HG23 VAL A 47 8.641 -2.127 7.531 1.00 1.29 H new ATOM 726 N ASP A 48 4.729 -2.037 9.495 1.00 0.60 N ATOM 727 CA ASP A 48 3.418 -1.593 9.094 1.00 0.56 C ATOM 728 C ASP A 48 3.523 -0.120 8.795 1.00 0.58 C ATOM 729 O ASP A 48 4.101 0.615 9.580 1.00 0.96 O ATOM 730 CB ASP A 48 2.433 -1.801 10.227 1.00 0.73 C ATOM 731 CG ASP A 48 0.988 -1.565 9.825 1.00 1.88 C ATOM 732 OD1 ASP A 48 0.633 -0.413 9.502 1.00 2.22 O ATOM 733 OD2 ASP A 48 0.199 -2.538 9.839 1.00 2.73 O ATOM 0 H ASP A 48 5.027 -1.635 10.384 1.00 0.60 H new ATOM 0 HA ASP A 48 3.072 -2.152 8.225 1.00 0.56 H new ATOM 0 HB2 ASP A 48 2.535 -2.818 10.604 1.00 0.73 H new ATOM 0 HB3 ASP A 48 2.688 -1.130 11.047 1.00 0.73 H new ATOM 738 N LEU A 49 2.970 0.312 7.699 1.00 0.39 N ATOM 739 CA LEU A 49 3.108 1.701 7.287 1.00 0.35 C ATOM 740 C LEU A 49 2.342 2.631 8.187 1.00 0.41 C ATOM 741 O LEU A 49 2.834 3.710 8.487 1.00 0.44 O ATOM 742 CB LEU A 49 2.631 1.951 5.853 1.00 0.29 C ATOM 743 CG LEU A 49 3.496 1.429 4.702 1.00 0.25 C ATOM 744 CD1 LEU A 49 3.067 0.068 4.239 1.00 0.36 C ATOM 745 CD2 LEU A 49 3.380 2.341 3.524 1.00 0.28 C ATOM 0 H LEU A 49 2.418 -0.268 7.067 1.00 0.39 H new ATOM 0 HA LEU A 49 4.177 1.903 7.351 1.00 0.35 H new ATOM 0 HB2 LEU A 49 1.639 1.511 5.750 1.00 0.29 H new ATOM 0 HB3 LEU A 49 2.517 3.027 5.723 1.00 0.29 H new ATOM 0 HG LEU A 49 4.517 1.381 5.082 1.00 0.25 H new ATOM 0 HD11 LEU A 49 3.711 -0.258 3.422 1.00 0.36 H new ATOM 0 HD12 LEU A 49 3.144 -0.638 5.066 1.00 0.36 H new ATOM 0 HD13 LEU A 49 2.034 0.110 3.892 1.00 0.36 H new ATOM 0 HD21 LEU A 49 3.998 1.963 2.709 1.00 0.28 H new ATOM 0 HD22 LEU A 49 2.340 2.386 3.200 1.00 0.28 H new ATOM 0 HD23 LEU A 49 3.717 3.340 3.802 1.00 0.28 H new ATOM 757 N SER A 50 1.194 2.190 8.672 1.00 0.48 N ATOM 758 CA SER A 50 0.235 3.046 9.315 1.00 0.58 C ATOM 759 C SER A 50 0.873 3.730 10.500 1.00 0.62 C ATOM 760 O SER A 50 0.407 4.766 10.973 1.00 0.70 O ATOM 761 CB SER A 50 -0.958 2.201 9.746 1.00 0.73 C ATOM 762 OG SER A 50 -1.266 1.223 8.762 1.00 1.23 O ATOM 0 H SER A 50 0.906 1.213 8.625 1.00 0.48 H new ATOM 0 HA SER A 50 -0.106 3.819 8.627 1.00 0.58 H new ATOM 0 HB2 SER A 50 -0.739 1.712 10.695 1.00 0.73 H new ATOM 0 HB3 SER A 50 -1.823 2.843 9.911 1.00 0.73 H new ATOM 0 HG SER A 50 -0.860 0.367 9.013 1.00 1.23 H new ATOM 768 N SER A 51 1.962 3.144 10.962 1.00 0.64 N ATOM 769 CA SER A 51 2.621 3.644 12.108 1.00 0.75 C ATOM 770 C SER A 51 3.817 4.520 11.755 1.00 0.72 C ATOM 771 O SER A 51 4.316 5.284 12.581 1.00 0.85 O ATOM 772 CB SER A 51 3.047 2.494 13.004 1.00 0.90 C ATOM 773 OG SER A 51 1.951 1.993 13.754 1.00 1.34 O ATOM 0 H SER A 51 2.394 2.319 10.545 1.00 0.64 H new ATOM 0 HA SER A 51 1.913 4.277 12.643 1.00 0.75 H new ATOM 0 HB2 SER A 51 3.471 1.694 12.397 1.00 0.90 H new ATOM 0 HB3 SER A 51 3.832 2.829 13.682 1.00 0.90 H new ATOM 0 HG SER A 51 2.253 1.253 14.320 1.00 1.34 H new ATOM 779 N LYS A 52 4.292 4.379 10.537 1.00 0.62 N ATOM 780 CA LYS A 52 5.459 5.094 10.086 1.00 0.66 C ATOM 781 C LYS A 52 5.070 6.306 9.244 1.00 0.67 C ATOM 782 O LYS A 52 5.237 7.440 9.687 1.00 1.09 O ATOM 783 CB LYS A 52 6.375 4.150 9.307 1.00 0.65 C ATOM 784 CG LYS A 52 6.108 2.662 9.507 1.00 0.70 C ATOM 785 CD LYS A 52 6.140 2.190 10.966 1.00 0.78 C ATOM 786 CE LYS A 52 7.482 2.419 11.649 1.00 1.02 C ATOM 787 NZ LYS A 52 7.550 3.725 12.371 1.00 1.40 N ATOM 0 H LYS A 52 3.879 3.766 9.834 1.00 0.62 H new ATOM 0 HA LYS A 52 6.000 5.466 10.956 1.00 0.66 H new ATOM 0 HB2 LYS A 52 6.284 4.378 8.245 1.00 0.65 H new ATOM 0 HB3 LYS A 52 7.407 4.357 9.590 1.00 0.65 H new ATOM 0 HG2 LYS A 52 5.132 2.423 9.085 1.00 0.70 H new ATOM 0 HG3 LYS A 52 6.848 2.096 8.941 1.00 0.70 H new ATOM 0 HD2 LYS A 52 5.363 2.711 11.525 1.00 0.78 H new ATOM 0 HD3 LYS A 52 5.900 1.127 11.001 1.00 0.78 H new ATOM 0 HE2 LYS A 52 7.668 1.609 12.354 1.00 1.02 H new ATOM 0 HE3 LYS A 52 8.275 2.380 10.903 1.00 1.02 H new ATOM 0 HZ1 LYS A 52 8.267 3.669 13.123 1.00 1.40 H new ATOM 0 HZ2 LYS A 52 7.808 4.478 11.702 1.00 1.40 H new ATOM 0 HZ3 LYS A 52 6.623 3.938 12.792 1.00 1.40 H new ATOM 801 N VAL A 53 4.563 6.014 8.045 1.00 0.34 N ATOM 802 CA VAL A 53 4.028 6.970 7.077 1.00 0.32 C ATOM 803 C VAL A 53 4.433 8.412 7.344 1.00 0.33 C ATOM 804 O VAL A 53 3.771 9.155 8.074 1.00 0.37 O ATOM 805 CB VAL A 53 2.506 6.790 7.002 1.00 0.32 C ATOM 806 CG1 VAL A 53 1.817 7.860 6.177 1.00 0.34 C ATOM 807 CG2 VAL A 53 2.191 5.435 6.421 1.00 0.35 C ATOM 0 H VAL A 53 4.512 5.053 7.706 1.00 0.34 H new ATOM 0 HA VAL A 53 4.471 6.752 6.105 1.00 0.32 H new ATOM 0 HB VAL A 53 2.126 6.878 8.020 1.00 0.32 H new ATOM 0 HG11 VAL A 53 0.743 7.674 6.164 1.00 0.34 H new ATOM 0 HG12 VAL A 53 2.011 8.839 6.616 1.00 0.34 H new ATOM 0 HG13 VAL A 53 2.201 7.837 5.157 1.00 0.34 H new ATOM 0 HG21 VAL A 53 1.110 5.305 6.367 1.00 0.35 H new ATOM 0 HG22 VAL A 53 2.616 5.360 5.420 1.00 0.35 H new ATOM 0 HG23 VAL A 53 2.619 4.659 7.056 1.00 0.35 H new ATOM 817 N GLY A 54 5.537 8.786 6.727 1.00 0.35 N ATOM 818 CA GLY A 54 6.121 10.090 6.980 1.00 0.41 C ATOM 819 C GLY A 54 6.898 10.644 5.800 1.00 0.44 C ATOM 820 O GLY A 54 6.482 10.501 4.655 1.00 0.70 O ATOM 0 H GLY A 54 6.044 8.212 6.053 1.00 0.35 H new ATOM 0 HA2 GLY A 54 5.328 10.790 7.243 1.00 0.41 H new ATOM 0 HA3 GLY A 54 6.785 10.021 7.842 1.00 0.41 H new ATOM 824 N GLN A 55 8.051 11.247 6.080 1.00 0.36 N ATOM 825 CA GLN A 55 8.794 12.011 5.073 1.00 0.43 C ATOM 826 C GLN A 55 9.298 11.154 3.911 1.00 0.39 C ATOM 827 O GLN A 55 9.225 11.576 2.763 1.00 0.50 O ATOM 828 CB GLN A 55 9.976 12.736 5.711 1.00 0.61 C ATOM 829 CG GLN A 55 10.770 13.571 4.721 1.00 1.43 C ATOM 830 CD GLN A 55 11.964 14.244 5.357 1.00 2.08 C ATOM 831 OE1 GLN A 55 12.548 13.731 6.309 1.00 2.75 O ATOM 832 NE2 GLN A 55 12.344 15.390 4.822 1.00 2.69 N ATOM 0 H GLN A 55 8.495 11.223 6.998 1.00 0.36 H new ATOM 0 HA GLN A 55 8.085 12.731 4.664 1.00 0.43 H new ATOM 0 HB2 GLN A 55 9.610 13.381 6.510 1.00 0.61 H new ATOM 0 HB3 GLN A 55 10.638 12.003 6.172 1.00 0.61 H new ATOM 0 HG2 GLN A 55 11.109 12.935 3.904 1.00 1.43 H new ATOM 0 HG3 GLN A 55 10.119 14.329 4.286 1.00 1.43 H new ATOM 0 HE21 GLN A 55 11.830 15.779 4.032 1.00 2.69 H new ATOM 0 HE22 GLN A 55 13.152 15.886 5.199 1.00 2.69 H new ATOM 841 N HIS A 56 9.831 9.968 4.188 1.00 0.36 N ATOM 842 CA HIS A 56 10.410 9.166 3.111 1.00 0.41 C ATOM 843 C HIS A 56 9.361 8.296 2.430 1.00 0.35 C ATOM 844 O HIS A 56 9.394 8.110 1.223 1.00 0.42 O ATOM 845 CB HIS A 56 11.589 8.325 3.612 1.00 0.54 C ATOM 846 CG HIS A 56 11.233 6.993 4.186 1.00 0.58 C ATOM 847 ND1 HIS A 56 11.123 5.857 3.418 1.00 0.87 N ATOM 848 CD2 HIS A 56 10.960 6.618 5.451 1.00 1.06 C ATOM 849 CE1 HIS A 56 10.786 4.844 4.184 1.00 1.11 C ATOM 850 NE2 HIS A 56 10.685 5.273 5.431 1.00 1.33 N ATOM 0 H HIS A 56 9.875 9.549 5.117 1.00 0.36 H new ATOM 0 HA HIS A 56 10.793 9.860 2.362 1.00 0.41 H new ATOM 0 HB2 HIS A 56 12.280 8.171 2.783 1.00 0.54 H new ATOM 0 HB3 HIS A 56 12.124 8.897 4.371 1.00 0.54 H new ATOM 0 HD1 HIS A 56 11.279 5.809 2.411 1.00 0.87 H new ATOM 0 HD2 HIS A 56 10.958 7.258 6.321 1.00 1.06 H new ATOM 0 HE1 HIS A 56 10.619 3.830 3.851 1.00 1.11 H new ATOM 859 N LEU A 57 8.443 7.765 3.215 1.00 0.28 N ATOM 860 CA LEU A 57 7.290 7.086 2.697 1.00 0.25 C ATOM 861 C LEU A 57 6.066 7.750 3.249 1.00 0.23 C ATOM 862 O LEU A 57 5.776 7.667 4.433 1.00 0.29 O ATOM 863 CB LEU A 57 7.367 5.568 2.969 1.00 0.38 C ATOM 864 CG LEU A 57 6.138 4.753 3.484 1.00 0.28 C ATOM 865 CD1 LEU A 57 6.000 4.867 4.995 1.00 1.11 C ATOM 866 CD2 LEU A 57 4.835 5.140 2.789 1.00 1.10 C ATOM 0 H LEU A 57 8.484 7.797 4.234 1.00 0.28 H new ATOM 0 HA LEU A 57 7.246 7.166 1.611 1.00 0.25 H new ATOM 0 HB2 LEU A 57 7.687 5.099 2.039 1.00 0.38 H new ATOM 0 HB3 LEU A 57 8.168 5.419 3.693 1.00 0.38 H new ATOM 0 HG LEU A 57 6.331 3.711 3.229 1.00 0.28 H new ATOM 0 HD11 LEU A 57 5.136 4.290 5.326 1.00 1.11 H new ATOM 0 HD12 LEU A 57 6.900 4.480 5.473 1.00 1.11 H new ATOM 0 HD13 LEU A 57 5.865 5.913 5.270 1.00 1.11 H new ATOM 0 HD21 LEU A 57 4.017 4.540 3.189 1.00 1.10 H new ATOM 0 HD22 LEU A 57 4.629 6.196 2.963 1.00 1.10 H new ATOM 0 HD23 LEU A 57 4.927 4.960 1.718 1.00 1.10 H new ATOM 878 N GLN A 58 5.384 8.444 2.382 1.00 0.20 N ATOM 879 CA GLN A 58 4.097 8.932 2.670 1.00 0.21 C ATOM 880 C GLN A 58 3.145 7.935 2.095 1.00 0.18 C ATOM 881 O GLN A 58 3.099 7.717 0.886 1.00 0.19 O ATOM 882 CB GLN A 58 3.844 10.287 2.011 1.00 0.27 C ATOM 883 CG GLN A 58 4.988 11.288 2.109 1.00 0.46 C ATOM 884 CD GLN A 58 6.093 11.042 1.103 1.00 0.32 C ATOM 885 OE1 GLN A 58 6.040 11.524 -0.029 1.00 0.76 O ATOM 886 NE2 GLN A 58 7.121 10.335 1.525 1.00 0.28 N ATOM 0 H GLN A 58 5.724 8.681 1.450 1.00 0.20 H new ATOM 0 HA GLN A 58 3.979 9.066 3.745 1.00 0.21 H new ATOM 0 HB2 GLN A 58 3.618 10.122 0.958 1.00 0.27 H new ATOM 0 HB3 GLN A 58 2.956 10.731 2.462 1.00 0.27 H new ATOM 0 HG2 GLN A 58 4.594 12.294 1.965 1.00 0.46 H new ATOM 0 HG3 GLN A 58 5.408 11.251 3.114 1.00 0.46 H new ATOM 0 HE21 GLN A 58 7.124 9.954 2.471 1.00 0.28 H new ATOM 0 HE22 GLN A 58 7.914 10.169 0.906 1.00 0.28 H new ATOM 895 N LEU A 59 2.418 7.329 2.963 1.00 0.20 N ATOM 896 CA LEU A 59 1.318 6.496 2.579 1.00 0.20 C ATOM 897 C LEU A 59 0.108 7.409 2.661 1.00 0.21 C ATOM 898 O LEU A 59 -0.487 7.610 3.722 1.00 0.23 O ATOM 899 CB LEU A 59 1.222 5.277 3.530 1.00 0.23 C ATOM 900 CG LEU A 59 0.285 4.126 3.163 1.00 0.23 C ATOM 901 CD1 LEU A 59 0.054 3.325 4.422 1.00 0.26 C ATOM 902 CD2 LEU A 59 -1.014 4.618 2.560 1.00 0.23 C ATOM 0 H LEU A 59 2.565 7.393 3.970 1.00 0.20 H new ATOM 0 HA LEU A 59 1.415 6.073 1.579 1.00 0.20 H new ATOM 0 HB2 LEU A 59 2.225 4.864 3.639 1.00 0.23 H new ATOM 0 HB3 LEU A 59 0.922 5.647 4.510 1.00 0.23 H new ATOM 0 HG LEU A 59 0.739 3.502 2.393 1.00 0.23 H new ATOM 0 HD11 LEU A 59 -0.612 2.490 4.205 1.00 0.26 H new ATOM 0 HD12 LEU A 59 1.006 2.943 4.790 1.00 0.26 H new ATOM 0 HD13 LEU A 59 -0.399 3.963 5.181 1.00 0.26 H new ATOM 0 HD21 LEU A 59 -1.647 3.765 2.315 1.00 0.23 H new ATOM 0 HD22 LEU A 59 -1.528 5.258 3.277 1.00 0.23 H new ATOM 0 HD23 LEU A 59 -0.803 5.185 1.653 1.00 0.23 H new ATOM 914 N HIS A 60 -0.180 8.006 1.531 1.00 0.22 N ATOM 915 CA HIS A 60 -1.246 8.934 1.377 1.00 0.25 C ATOM 916 C HIS A 60 -2.512 8.238 1.030 1.00 0.24 C ATOM 917 O HIS A 60 -2.545 7.078 0.645 1.00 0.26 O ATOM 918 CB HIS A 60 -0.956 9.960 0.293 1.00 0.37 C ATOM 919 CG HIS A 60 -0.271 11.195 0.777 1.00 0.79 C ATOM 920 ND1 HIS A 60 -0.477 12.428 0.202 1.00 1.48 N ATOM 921 CD2 HIS A 60 0.612 11.393 1.784 1.00 1.65 C ATOM 922 CE1 HIS A 60 0.246 13.331 0.832 1.00 1.91 C ATOM 923 NE2 HIS A 60 0.917 12.729 1.794 1.00 2.03 N ATOM 0 H HIS A 60 0.345 7.846 0.671 1.00 0.22 H new ATOM 0 HA HIS A 60 -1.347 9.444 2.335 1.00 0.25 H new ATOM 0 HB2 HIS A 60 -0.338 9.494 -0.475 1.00 0.37 H new ATOM 0 HB3 HIS A 60 -1.895 10.243 -0.182 1.00 0.37 H new ATOM 0 HD2 HIS A 60 1.002 10.640 2.453 1.00 1.65 H new ATOM 0 HE1 HIS A 60 0.283 14.385 0.600 1.00 1.91 H new ATOM 0 HE2 HIS A 60 1.560 13.184 2.442 1.00 2.03 H new ATOM 932 N ASP A 61 -3.525 8.989 1.203 1.00 0.29 N ATOM 933 CA ASP A 61 -4.858 8.607 0.886 1.00 0.32 C ATOM 934 C ASP A 61 -5.549 9.721 0.146 1.00 0.35 C ATOM 935 O ASP A 61 -5.779 10.817 0.654 1.00 0.48 O ATOM 936 CB ASP A 61 -5.667 8.221 2.099 1.00 0.44 C ATOM 937 CG ASP A 61 -5.491 9.143 3.297 1.00 0.54 C ATOM 938 OD1 ASP A 61 -4.522 8.955 4.068 1.00 0.73 O ATOM 939 OD2 ASP A 61 -6.339 10.037 3.501 1.00 0.92 O ATOM 0 H ASP A 61 -3.455 9.932 1.586 1.00 0.29 H new ATOM 0 HA ASP A 61 -4.789 7.721 0.255 1.00 0.32 H new ATOM 0 HB2 ASP A 61 -6.722 8.201 1.825 1.00 0.44 H new ATOM 0 HB3 ASP A 61 -5.395 7.208 2.394 1.00 0.44 H new ATOM 944 N SER A 62 -5.823 9.410 -1.072 1.00 0.29 N ATOM 945 CA SER A 62 -6.583 10.269 -1.948 1.00 0.32 C ATOM 946 C SER A 62 -8.001 9.770 -1.968 1.00 0.32 C ATOM 947 O SER A 62 -8.242 8.580 -1.799 1.00 0.41 O ATOM 948 CB SER A 62 -6.014 10.282 -3.359 1.00 0.40 C ATOM 949 OG SER A 62 -4.596 10.283 -3.341 1.00 0.47 O ATOM 0 H SER A 62 -5.525 8.537 -1.508 1.00 0.29 H new ATOM 0 HA SER A 62 -6.536 11.293 -1.576 1.00 0.32 H new ATOM 0 HB2 SER A 62 -6.373 9.410 -3.906 1.00 0.40 H new ATOM 0 HB3 SER A 62 -6.374 11.163 -3.891 1.00 0.40 H new ATOM 0 HG SER A 62 -4.272 9.397 -3.078 1.00 0.47 H new ATOM 955 N TYR A 63 -8.931 10.664 -2.151 1.00 0.38 N ATOM 956 CA TYR A 63 -10.316 10.312 -2.010 1.00 0.45 C ATOM 957 C TYR A 63 -11.196 11.061 -2.968 1.00 0.47 C ATOM 958 O TYR A 63 -11.534 12.230 -2.770 1.00 0.54 O ATOM 959 CB TYR A 63 -10.753 10.502 -0.568 1.00 0.64 C ATOM 960 CG TYR A 63 -12.246 10.478 -0.328 1.00 0.63 C ATOM 961 CD1 TYR A 63 -12.992 9.351 -0.636 1.00 0.84 C ATOM 962 CD2 TYR A 63 -12.911 11.585 0.180 1.00 0.87 C ATOM 963 CE1 TYR A 63 -14.356 9.324 -0.443 1.00 1.05 C ATOM 964 CE2 TYR A 63 -14.280 11.567 0.373 1.00 1.06 C ATOM 965 CZ TYR A 63 -14.980 10.436 0.166 1.00 1.07 C ATOM 966 OH TYR A 63 -16.359 10.403 0.249 1.00 1.39 O ATOM 0 H TYR A 63 -8.757 11.638 -2.397 1.00 0.38 H new ATOM 0 HA TYR A 63 -10.426 9.259 -2.268 1.00 0.45 H new ATOM 0 HB2 TYR A 63 -10.293 9.721 0.038 1.00 0.64 H new ATOM 0 HB3 TYR A 63 -10.361 11.454 -0.211 1.00 0.64 H new ATOM 0 HD1 TYR A 63 -12.495 8.479 -1.034 1.00 0.84 H new ATOM 0 HD2 TYR A 63 -12.351 12.474 0.428 1.00 0.87 H new ATOM 0 HE1 TYR A 63 -14.938 8.468 -0.752 1.00 1.05 H new ATOM 0 HE2 TYR A 63 -14.790 12.464 0.691 1.00 1.06 H new ATOM 0 HH TYR A 63 -16.680 11.219 0.687 1.00 1.39 H new ATOM 976 N ASP A 64 -11.524 10.376 -4.028 1.00 0.47 N ATOM 977 CA ASP A 64 -12.523 10.827 -4.938 1.00 0.57 C ATOM 978 C ASP A 64 -13.714 9.902 -4.911 1.00 0.57 C ATOM 979 O ASP A 64 -13.677 8.776 -5.404 1.00 0.63 O ATOM 980 CB ASP A 64 -11.984 10.969 -6.342 1.00 0.71 C ATOM 981 CG ASP A 64 -10.895 9.985 -6.728 1.00 1.53 C ATOM 982 OD1 ASP A 64 -10.950 8.819 -6.304 1.00 2.42 O ATOM 983 OD2 ASP A 64 -9.997 10.383 -7.507 1.00 2.00 O ATOM 0 H ASP A 64 -11.099 9.484 -4.281 1.00 0.47 H new ATOM 0 HA ASP A 64 -12.841 11.818 -4.615 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -12.812 10.861 -7.043 1.00 0.71 H new ATOM 0 HB3 ASP A 64 -11.595 11.980 -6.462 1.00 0.71 H new ATOM 988 N ARG A 65 -14.768 10.389 -4.304 1.00 0.60 N ATOM 989 CA ARG A 65 -16.005 9.650 -4.200 1.00 0.64 C ATOM 990 C ARG A 65 -16.667 9.522 -5.567 1.00 0.74 C ATOM 991 O ARG A 65 -17.402 8.571 -5.835 1.00 0.88 O ATOM 992 CB ARG A 65 -16.942 10.346 -3.217 1.00 0.74 C ATOM 993 CG ARG A 65 -17.550 9.380 -2.238 1.00 0.86 C ATOM 994 CD ARG A 65 -18.430 8.384 -2.950 1.00 1.00 C ATOM 995 NE ARG A 65 -19.824 8.811 -2.976 1.00 1.19 N ATOM 996 CZ ARG A 65 -20.654 8.584 -3.989 1.00 1.80 C ATOM 997 NH1 ARG A 65 -20.222 7.978 -5.089 1.00 2.46 N ATOM 998 NH2 ARG A 65 -21.916 8.972 -3.909 1.00 2.07 N ATOM 0 H ARG A 65 -14.794 11.310 -3.867 1.00 0.60 H new ATOM 0 HA ARG A 65 -15.787 8.648 -3.832 1.00 0.64 H new ATOM 0 HB2 ARG A 65 -16.392 11.114 -2.674 1.00 0.74 H new ATOM 0 HB3 ARG A 65 -17.735 10.851 -3.768 1.00 0.74 H new ATOM 0 HG2 ARG A 65 -16.761 8.856 -1.699 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -18.135 9.925 -1.497 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -18.073 8.249 -3.971 1.00 1.00 H new ATOM 0 HD3 ARG A 65 -18.356 7.416 -2.455 1.00 1.00 H new ATOM 0 HE ARG A 65 -20.185 9.315 -2.166 1.00 1.19 H new ATOM 0 HH11 ARG A 65 -19.248 7.684 -5.160 1.00 2.46 H new ATOM 0 HH12 ARG A 65 -20.864 7.807 -5.863 1.00 2.46 H new ATOM 0 HH21 ARG A 65 -22.252 9.445 -3.070 1.00 2.07 H new ATOM 0 HH22 ARG A 65 -22.553 8.798 -4.686 1.00 2.07 H new ATOM 1012 N ALA A 66 -16.392 10.491 -6.417 1.00 0.80 N ATOM 1013 CA ALA A 66 -16.862 10.482 -7.796 1.00 0.93 C ATOM 1014 C ALA A 66 -16.256 9.315 -8.565 1.00 0.83 C ATOM 1015 O ALA A 66 -16.882 8.752 -9.465 1.00 0.92 O ATOM 1016 CB ALA A 66 -16.535 11.805 -8.475 1.00 1.15 C ATOM 0 H ALA A 66 -15.835 11.311 -6.175 1.00 0.80 H new ATOM 0 HA ALA A 66 -17.945 10.356 -7.791 1.00 0.93 H new ATOM 0 HB1 ALA A 66 -16.892 11.784 -9.505 1.00 1.15 H new ATOM 0 HB2 ALA A 66 -17.022 12.619 -7.939 1.00 1.15 H new ATOM 0 HB3 ALA A 66 -15.456 11.961 -8.468 1.00 1.15 H new ATOM 1022 N SER A 67 -15.040 8.958 -8.195 1.00 0.72 N ATOM 1023 CA SER A 67 -14.371 7.802 -8.769 1.00 0.72 C ATOM 1024 C SER A 67 -14.664 6.577 -7.916 1.00 0.58 C ATOM 1025 O SER A 67 -14.511 5.438 -8.363 1.00 0.63 O ATOM 1026 CB SER A 67 -12.860 8.036 -8.838 1.00 0.83 C ATOM 1027 OG SER A 67 -12.545 9.260 -9.482 1.00 1.41 O ATOM 0 H SER A 67 -14.491 9.456 -7.494 1.00 0.72 H new ATOM 0 HA SER A 67 -14.743 7.643 -9.781 1.00 0.72 H new ATOM 0 HB2 SER A 67 -12.446 8.039 -7.830 1.00 0.83 H new ATOM 0 HB3 SER A 67 -12.389 7.212 -9.373 1.00 0.83 H new ATOM 0 HG SER A 67 -11.572 9.376 -9.506 1.00 1.41 H new ATOM 1033 N LYS A 68 -15.104 6.848 -6.683 1.00 0.50 N ATOM 1034 CA LYS A 68 -15.389 5.826 -5.687 1.00 0.50 C ATOM 1035 C LYS A 68 -14.096 5.132 -5.279 1.00 0.44 C ATOM 1036 O LYS A 68 -14.085 3.945 -4.962 1.00 0.59 O ATOM 1037 CB LYS A 68 -16.372 4.799 -6.231 1.00 0.70 C ATOM 1038 CG LYS A 68 -17.136 4.058 -5.152 1.00 0.66 C ATOM 1039 CD LYS A 68 -17.660 2.728 -5.652 1.00 1.38 C ATOM 1040 CE LYS A 68 -16.703 1.587 -5.321 1.00 2.27 C ATOM 1041 NZ LYS A 68 -17.145 0.311 -5.952 1.00 3.31 N ATOM 0 H LYS A 68 -15.272 7.797 -6.351 1.00 0.50 H new ATOM 0 HA LYS A 68 -15.837 6.307 -4.818 1.00 0.50 H new ATOM 0 HB2 LYS A 68 -17.083 5.301 -6.888 1.00 0.70 H new ATOM 0 HB3 LYS A 68 -15.829 4.077 -6.841 1.00 0.70 H new ATOM 0 HG2 LYS A 68 -16.486 3.894 -4.293 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -17.969 4.672 -4.809 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -18.634 2.528 -5.204 1.00 1.38 H new ATOM 0 HD3 LYS A 68 -17.809 2.777 -6.731 1.00 1.38 H new ATOM 0 HE2 LYS A 68 -15.700 1.838 -5.667 1.00 2.27 H new ATOM 0 HE3 LYS A 68 -16.645 1.460 -4.240 1.00 2.27 H new ATOM 0 HZ1 LYS A 68 -16.771 -0.493 -5.408 1.00 3.31 H new ATOM 0 HZ2 LYS A 68 -18.184 0.270 -5.960 1.00 3.31 H new ATOM 0 HZ3 LYS A 68 -16.789 0.265 -6.928 1.00 3.31 H new ATOM 1055 N VAL A 69 -13.012 5.883 -5.264 1.00 0.34 N ATOM 1056 CA VAL A 69 -11.719 5.327 -4.966 1.00 0.31 C ATOM 1057 C VAL A 69 -11.025 6.130 -3.881 1.00 0.29 C ATOM 1058 O VAL A 69 -11.027 7.360 -3.874 1.00 0.35 O ATOM 1059 CB VAL A 69 -10.789 5.295 -6.196 1.00 0.34 C ATOM 1060 CG1 VAL A 69 -9.547 4.470 -5.907 1.00 0.38 C ATOM 1061 CG2 VAL A 69 -11.502 4.769 -7.429 1.00 0.43 C ATOM 0 H VAL A 69 -13.008 6.885 -5.457 1.00 0.34 H new ATOM 0 HA VAL A 69 -11.903 4.305 -4.635 1.00 0.31 H new ATOM 0 HB VAL A 69 -10.488 6.322 -6.404 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -8.904 4.460 -6.787 1.00 0.38 H new ATOM 0 HG12 VAL A 69 -9.007 4.908 -5.068 1.00 0.38 H new ATOM 0 HG13 VAL A 69 -9.838 3.449 -5.658 1.00 0.38 H new ATOM 0 HG21 VAL A 69 -10.812 4.763 -8.273 1.00 0.43 H new ATOM 0 HG22 VAL A 69 -11.854 3.755 -7.241 1.00 0.43 H new ATOM 0 HG23 VAL A 69 -12.352 5.411 -7.660 1.00 0.43 H new ATOM 1071 N TYR A 70 -10.496 5.406 -2.946 1.00 0.25 N ATOM 1072 CA TYR A 70 -9.484 5.910 -2.060 1.00 0.25 C ATOM 1073 C TYR A 70 -8.167 5.457 -2.615 1.00 0.22 C ATOM 1074 O TYR A 70 -7.829 4.271 -2.584 1.00 0.26 O ATOM 1075 CB TYR A 70 -9.601 5.375 -0.646 1.00 0.31 C ATOM 1076 CG TYR A 70 -10.836 5.802 0.106 1.00 0.41 C ATOM 1077 CD1 TYR A 70 -12.078 5.273 -0.200 1.00 0.97 C ATOM 1078 CD2 TYR A 70 -10.750 6.737 1.130 1.00 1.09 C ATOM 1079 CE1 TYR A 70 -13.208 5.665 0.494 1.00 0.99 C ATOM 1080 CE2 TYR A 70 -11.872 7.135 1.832 1.00 1.24 C ATOM 1081 CZ TYR A 70 -13.101 6.597 1.511 1.00 0.76 C ATOM 1082 OH TYR A 70 -14.225 6.995 2.201 1.00 0.93 O ATOM 0 H TYR A 70 -10.755 4.435 -2.771 1.00 0.25 H new ATOM 0 HA TYR A 70 -9.588 6.993 -2.001 1.00 0.25 H new ATOM 0 HB2 TYR A 70 -9.578 4.286 -0.684 1.00 0.31 H new ATOM 0 HB3 TYR A 70 -8.724 5.693 -0.082 1.00 0.31 H new ATOM 0 HD1 TYR A 70 -12.166 4.544 -0.992 1.00 0.97 H new ATOM 0 HD2 TYR A 70 -9.789 7.160 1.382 1.00 1.09 H new ATOM 0 HE1 TYR A 70 -14.171 5.245 0.243 1.00 0.99 H new ATOM 0 HE2 TYR A 70 -11.787 7.862 2.626 1.00 1.24 H new ATOM 0 HH TYR A 70 -14.644 7.749 1.736 1.00 0.93 H new ATOM 1092 N LEU A 71 -7.451 6.385 -3.147 1.00 0.20 N ATOM 1093 CA LEU A 71 -6.172 6.086 -3.727 1.00 0.19 C ATOM 1094 C LEU A 71 -5.104 6.343 -2.711 1.00 0.20 C ATOM 1095 O LEU A 71 -4.729 7.475 -2.420 1.00 0.22 O ATOM 1096 CB LEU A 71 -5.899 6.890 -4.998 1.00 0.25 C ATOM 1097 CG LEU A 71 -4.452 6.791 -5.516 1.00 0.31 C ATOM 1098 CD1 LEU A 71 -3.994 5.339 -5.619 1.00 0.27 C ATOM 1099 CD2 LEU A 71 -4.315 7.474 -6.863 1.00 0.52 C ATOM 0 H LEU A 71 -7.724 7.366 -3.197 1.00 0.20 H new ATOM 0 HA LEU A 71 -6.174 5.036 -4.018 1.00 0.19 H new ATOM 0 HB2 LEU A 71 -6.576 6.549 -5.781 1.00 0.25 H new ATOM 0 HB3 LEU A 71 -6.133 7.937 -4.808 1.00 0.25 H new ATOM 0 HG LEU A 71 -3.813 7.300 -4.795 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -2.969 5.306 -5.988 1.00 0.27 H new ATOM 0 HD12 LEU A 71 -4.041 4.872 -4.635 1.00 0.27 H new ATOM 0 HD13 LEU A 71 -4.645 4.800 -6.308 1.00 0.27 H new ATOM 0 HD21 LEU A 71 -3.285 7.392 -7.210 1.00 0.52 H new ATOM 0 HD22 LEU A 71 -4.979 6.996 -7.583 1.00 0.52 H new ATOM 0 HD23 LEU A 71 -4.582 8.526 -6.766 1.00 0.52 H new ATOM 1111 N PHE A 72 -4.619 5.268 -2.199 1.00 0.20 N ATOM 1112 CA PHE A 72 -3.534 5.292 -1.283 1.00 0.21 C ATOM 1113 C PHE A 72 -2.247 5.292 -2.063 1.00 0.23 C ATOM 1114 O PHE A 72 -1.908 4.344 -2.778 1.00 0.27 O ATOM 1115 CB PHE A 72 -3.600 4.106 -0.347 1.00 0.25 C ATOM 1116 CG PHE A 72 -4.771 4.121 0.590 1.00 0.25 C ATOM 1117 CD1 PHE A 72 -5.980 3.572 0.207 1.00 0.28 C ATOM 1118 CD2 PHE A 72 -4.664 4.677 1.852 1.00 0.31 C ATOM 1119 CE1 PHE A 72 -7.062 3.571 1.065 1.00 0.30 C ATOM 1120 CE2 PHE A 72 -5.743 4.683 2.715 1.00 0.33 C ATOM 1121 CZ PHE A 72 -6.945 4.129 2.320 1.00 0.30 C ATOM 0 H PHE A 72 -4.970 4.333 -2.408 1.00 0.20 H new ATOM 0 HA PHE A 72 -3.587 6.192 -0.671 1.00 0.21 H new ATOM 0 HB2 PHE A 72 -3.636 3.192 -0.940 1.00 0.25 H new ATOM 0 HB3 PHE A 72 -2.682 4.069 0.239 1.00 0.25 H new ATOM 0 HD1 PHE A 72 -6.080 3.138 -0.777 1.00 0.28 H new ATOM 0 HD2 PHE A 72 -3.726 5.111 2.166 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -7.999 3.134 0.753 1.00 0.30 H new ATOM 0 HE2 PHE A 72 -5.647 5.121 3.698 1.00 0.33 H new ATOM 0 HZ PHE A 72 -7.790 4.133 2.992 1.00 0.30 H new ATOM 1131 N GLU A 73 -1.564 6.380 -1.925 1.00 0.22 N ATOM 1132 CA GLU A 73 -0.328 6.613 -2.625 1.00 0.26 C ATOM 1133 C GLU A 73 0.813 6.347 -1.699 1.00 0.20 C ATOM 1134 O GLU A 73 0.887 6.880 -0.597 1.00 0.27 O ATOM 1135 CB GLU A 73 -0.166 8.046 -3.117 1.00 0.42 C ATOM 1136 CG GLU A 73 -1.424 8.718 -3.627 1.00 0.59 C ATOM 1137 CD GLU A 73 -1.168 10.174 -3.966 1.00 0.75 C ATOM 1138 OE1 GLU A 73 -0.938 10.975 -3.039 1.00 1.32 O ATOM 1139 OE2 GLU A 73 -1.215 10.524 -5.167 1.00 1.09 O ATOM 0 H GLU A 73 -1.846 7.148 -1.316 1.00 0.22 H new ATOM 0 HA GLU A 73 -0.341 5.950 -3.490 1.00 0.26 H new ATOM 0 HB2 GLU A 73 0.238 8.646 -2.301 1.00 0.42 H new ATOM 0 HB3 GLU A 73 0.576 8.053 -3.916 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -1.787 8.194 -4.511 1.00 0.59 H new ATOM 0 HG3 GLU A 73 -2.208 8.650 -2.872 1.00 0.59 H new ATOM 1146 N LEU A 74 1.693 5.535 -2.160 1.00 0.21 N ATOM 1147 CA LEU A 74 2.934 5.305 -1.497 1.00 0.21 C ATOM 1148 C LEU A 74 3.952 6.123 -2.181 1.00 0.20 C ATOM 1149 O LEU A 74 4.249 5.916 -3.356 1.00 0.25 O ATOM 1150 CB LEU A 74 3.401 3.868 -1.610 1.00 0.27 C ATOM 1151 CG LEU A 74 2.518 2.830 -0.939 1.00 0.27 C ATOM 1152 CD1 LEU A 74 2.413 3.146 0.530 1.00 0.85 C ATOM 1153 CD2 LEU A 74 1.148 2.788 -1.585 1.00 0.96 C ATOM 0 H LEU A 74 1.574 5.001 -3.021 1.00 0.21 H new ATOM 0 HA LEU A 74 2.799 5.549 -0.443 1.00 0.21 H new ATOM 0 HB2 LEU A 74 3.486 3.616 -2.667 1.00 0.27 H new ATOM 0 HB3 LEU A 74 4.401 3.797 -1.183 1.00 0.27 H new ATOM 0 HG LEU A 74 2.965 1.844 -1.061 1.00 0.27 H new ATOM 0 HD11 LEU A 74 1.780 2.404 1.017 1.00 0.85 H new ATOM 0 HD12 LEU A 74 3.406 3.126 0.978 1.00 0.85 H new ATOM 0 HD13 LEU A 74 1.976 4.136 0.659 1.00 0.85 H new ATOM 0 HD21 LEU A 74 0.534 2.037 -1.087 1.00 0.96 H new ATOM 0 HD22 LEU A 74 0.672 3.765 -1.494 1.00 0.96 H new ATOM 0 HD23 LEU A 74 1.251 2.532 -2.639 1.00 0.96 H new ATOM 1165 N HIS A 75 4.494 7.030 -1.476 1.00 0.18 N ATOM 1166 CA HIS A 75 5.663 7.670 -1.978 1.00 0.19 C ATOM 1167 C HIS A 75 6.742 7.285 -1.040 1.00 0.19 C ATOM 1168 O HIS A 75 6.928 7.900 -0.003 1.00 0.19 O ATOM 1169 CB HIS A 75 5.492 9.188 -2.096 1.00 0.23 C ATOM 1170 CG HIS A 75 4.794 9.605 -3.356 1.00 0.39 C ATOM 1171 ND1 HIS A 75 3.607 10.303 -3.373 1.00 1.01 N ATOM 1172 CD2 HIS A 75 5.132 9.410 -4.654 1.00 1.15 C ATOM 1173 CE1 HIS A 75 3.243 10.519 -4.626 1.00 0.88 C ATOM 1174 NE2 HIS A 75 4.152 9.985 -5.423 1.00 0.94 N ATOM 0 H HIS A 75 4.165 7.351 -0.565 1.00 0.18 H new ATOM 0 HA HIS A 75 5.891 7.355 -2.996 1.00 0.19 H new ATOM 0 HB2 HIS A 75 4.927 9.552 -1.238 1.00 0.23 H new ATOM 0 HB3 HIS A 75 6.473 9.662 -2.057 1.00 0.23 H new ATOM 0 HD2 HIS A 75 6.011 8.897 -5.016 1.00 1.15 H new ATOM 0 HE1 HIS A 75 2.354 11.043 -4.944 1.00 0.88 H new ATOM 0 HE2 HIS A 75 4.129 9.998 -6.443 1.00 0.94 H new ATOM 1183 N ILE A 76 7.433 6.238 -1.412 1.00 0.21 N ATOM 1184 CA ILE A 76 8.412 5.658 -0.553 1.00 0.23 C ATOM 1185 C ILE A 76 9.763 5.736 -1.189 1.00 0.25 C ATOM 1186 O ILE A 76 10.155 4.939 -2.012 1.00 0.28 O ATOM 1187 CB ILE A 76 8.053 4.207 -0.267 1.00 0.27 C ATOM 1188 CG1 ILE A 76 6.615 4.129 0.238 1.00 0.29 C ATOM 1189 CG2 ILE A 76 9.027 3.581 0.724 1.00 0.29 C ATOM 1190 CD1 ILE A 76 6.144 2.728 0.519 1.00 0.52 C ATOM 0 H ILE A 76 7.328 5.772 -2.313 1.00 0.21 H new ATOM 0 HA ILE A 76 8.433 6.211 0.386 1.00 0.23 H new ATOM 0 HB ILE A 76 8.131 3.634 -1.191 1.00 0.27 H new ATOM 0 HG12 ILE A 76 6.527 4.721 1.149 1.00 0.29 H new ATOM 0 HG13 ILE A 76 5.955 4.582 -0.502 1.00 0.29 H new ATOM 0 HG21 ILE A 76 8.744 2.545 0.908 1.00 0.29 H new ATOM 0 HG22 ILE A 76 10.036 3.614 0.313 1.00 0.29 H new ATOM 0 HG23 ILE A 76 8.999 4.136 1.662 1.00 0.29 H new ATOM 0 HD11 ILE A 76 5.114 2.755 0.874 1.00 0.52 H new ATOM 0 HD12 ILE A 76 6.198 2.136 -0.395 1.00 0.52 H new ATOM 0 HD13 ILE A 76 6.779 2.277 1.282 1.00 0.52 H new ATOM 1202 N THR A 77 10.472 6.693 -0.773 1.00 0.24 N ATOM 1203 CA THR A 77 11.743 6.953 -1.269 1.00 0.26 C ATOM 1204 C THR A 77 12.738 6.548 -0.232 1.00 0.36 C ATOM 1205 O THR A 77 12.393 6.280 0.927 1.00 0.58 O ATOM 1206 CB THR A 77 11.898 8.446 -1.605 1.00 0.32 C ATOM 1207 OG1 THR A 77 11.717 9.237 -0.420 1.00 0.41 O ATOM 1208 CG2 THR A 77 10.877 8.862 -2.657 1.00 0.37 C ATOM 0 H THR A 77 10.170 7.343 -0.048 1.00 0.24 H new ATOM 0 HA THR A 77 11.906 6.389 -2.187 1.00 0.26 H new ATOM 0 HB THR A 77 12.901 8.610 -2.000 1.00 0.32 H new ATOM 0 HG1 THR A 77 11.819 10.186 -0.642 1.00 0.41 H new ATOM 0 HG21 THR A 77 10.999 9.921 -2.884 1.00 0.37 H new ATOM 0 HG22 THR A 77 11.030 8.276 -3.564 1.00 0.37 H new ATOM 0 HG23 THR A 77 9.871 8.686 -2.277 1.00 0.37 H new ATOM 1216 N ASP A 78 13.928 6.436 -0.701 1.00 0.30 N ATOM 1217 CA ASP A 78 15.109 6.250 0.154 1.00 0.45 C ATOM 1218 C ASP A 78 15.077 4.878 0.801 1.00 0.45 C ATOM 1219 O ASP A 78 15.402 4.684 1.971 1.00 0.70 O ATOM 1220 CB ASP A 78 15.066 7.317 1.206 1.00 0.61 C ATOM 1221 CG ASP A 78 16.361 7.524 1.969 1.00 1.44 C ATOM 1222 OD1 ASP A 78 17.184 8.353 1.525 1.00 1.97 O ATOM 1223 OD2 ASP A 78 16.549 6.893 3.033 1.00 2.12 O ATOM 0 H ASP A 78 14.142 6.468 -1.698 1.00 0.30 H new ATOM 0 HA ASP A 78 16.025 6.321 -0.433 1.00 0.45 H new ATOM 0 HB2 ASP A 78 14.786 8.259 0.734 1.00 0.61 H new ATOM 0 HB3 ASP A 78 14.278 7.071 1.918 1.00 0.61 H new ATOM 1228 N ALA A 79 14.641 3.948 0.007 1.00 0.37 N ATOM 1229 CA ALA A 79 14.480 2.557 0.416 1.00 0.34 C ATOM 1230 C ALA A 79 15.739 2.005 1.071 1.00 0.38 C ATOM 1231 O ALA A 79 16.812 1.952 0.462 1.00 0.40 O ATOM 1232 CB ALA A 79 14.086 1.688 -0.770 1.00 0.34 C ATOM 0 H ALA A 79 14.378 4.122 -0.963 1.00 0.37 H new ATOM 0 HA ALA A 79 13.681 2.533 1.157 1.00 0.34 H new ATOM 0 HB1 ALA A 79 13.971 0.655 -0.442 1.00 0.34 H new ATOM 0 HB2 ALA A 79 13.143 2.044 -1.184 1.00 0.34 H new ATOM 0 HB3 ALA A 79 14.861 1.742 -1.534 1.00 0.34 H new ATOM 1238 N GLN A 80 15.589 1.624 2.332 1.00 0.47 N ATOM 1239 CA GLN A 80 16.622 0.920 3.070 1.00 0.55 C ATOM 1240 C GLN A 80 16.987 -0.369 2.343 1.00 0.43 C ATOM 1241 O GLN A 80 16.111 -1.044 1.821 1.00 0.43 O ATOM 1242 CB GLN A 80 16.106 0.613 4.483 1.00 0.74 C ATOM 1243 CG GLN A 80 16.861 -0.497 5.198 1.00 0.78 C ATOM 1244 CD GLN A 80 17.529 -0.013 6.465 1.00 1.06 C ATOM 1245 OE1 GLN A 80 16.940 -0.062 7.543 1.00 1.37 O ATOM 1246 NE2 GLN A 80 18.757 0.460 6.342 1.00 1.43 N ATOM 0 H GLN A 80 14.741 1.797 2.873 1.00 0.47 H new ATOM 0 HA GLN A 80 17.516 1.540 3.142 1.00 0.55 H new ATOM 0 HB2 GLN A 80 16.164 1.521 5.083 1.00 0.74 H new ATOM 0 HB3 GLN A 80 15.053 0.339 4.421 1.00 0.74 H new ATOM 0 HG2 GLN A 80 16.171 -1.305 5.440 1.00 0.78 H new ATOM 0 HG3 GLN A 80 17.615 -0.911 4.528 1.00 0.78 H new ATOM 0 HE21 GLN A 80 19.206 0.481 5.426 1.00 1.43 H new ATOM 0 HE22 GLN A 80 19.256 0.804 7.163 1.00 1.43 H new ATOM 1255 N PRO A 81 18.282 -0.737 2.309 1.00 0.42 N ATOM 1256 CA PRO A 81 18.749 -1.935 1.596 1.00 0.44 C ATOM 1257 C PRO A 81 18.274 -3.241 2.228 1.00 0.54 C ATOM 1258 O PRO A 81 18.677 -4.326 1.810 1.00 1.33 O ATOM 1259 CB PRO A 81 20.273 -1.839 1.685 1.00 0.50 C ATOM 1260 CG PRO A 81 20.539 -0.968 2.861 1.00 0.57 C ATOM 1261 CD PRO A 81 19.392 -0.004 2.941 1.00 0.49 C ATOM 0 HA PRO A 81 18.358 -1.959 0.579 1.00 0.44 H new ATOM 0 HB2 PRO A 81 20.723 -2.823 1.814 1.00 0.50 H new ATOM 0 HB3 PRO A 81 20.695 -1.412 0.775 1.00 0.50 H new ATOM 0 HG2 PRO A 81 20.614 -1.559 3.774 1.00 0.57 H new ATOM 0 HG3 PRO A 81 21.485 -0.438 2.746 1.00 0.57 H new ATOM 0 HD2 PRO A 81 19.162 0.261 3.973 1.00 0.49 H new ATOM 0 HD3 PRO A 81 19.611 0.925 2.414 1.00 0.49 H new ATOM 1269 N ALA A 82 17.439 -3.133 3.247 1.00 0.81 N ATOM 1270 CA ALA A 82 16.820 -4.296 3.846 1.00 0.88 C ATOM 1271 C ALA A 82 15.309 -4.213 3.720 1.00 0.77 C ATOM 1272 O ALA A 82 14.603 -5.162 4.037 1.00 0.91 O ATOM 1273 CB ALA A 82 17.227 -4.432 5.306 1.00 1.12 C ATOM 0 H ALA A 82 17.175 -2.246 3.676 1.00 0.81 H new ATOM 0 HA ALA A 82 17.166 -5.182 3.313 1.00 0.88 H new ATOM 0 HB1 ALA A 82 16.750 -5.313 5.736 1.00 1.12 H new ATOM 0 HB2 ALA A 82 18.310 -4.536 5.374 1.00 1.12 H new ATOM 0 HB3 ALA A 82 16.913 -3.545 5.855 1.00 1.12 H new ATOM 1279 N PHE A 83 14.824 -3.094 3.177 1.00 0.64 N ATOM 1280 CA PHE A 83 13.393 -2.792 3.143 1.00 0.68 C ATOM 1281 C PHE A 83 12.729 -3.631 2.076 1.00 0.76 C ATOM 1282 O PHE A 83 11.555 -3.414 1.800 1.00 1.24 O ATOM 1283 CB PHE A 83 13.183 -1.313 2.790 1.00 0.74 C ATOM 1284 CG PHE A 83 12.752 -0.398 3.912 1.00 0.70 C ATOM 1285 CD1 PHE A 83 12.763 -0.792 5.243 1.00 0.80 C ATOM 1286 CD2 PHE A 83 12.355 0.893 3.612 1.00 0.75 C ATOM 1287 CE1 PHE A 83 12.386 0.083 6.244 1.00 0.90 C ATOM 1288 CE2 PHE A 83 11.974 1.769 4.606 1.00 0.83 C ATOM 1289 CZ PHE A 83 11.991 1.366 5.924 1.00 0.88 C ATOM 0 H PHE A 83 15.410 -2.376 2.751 1.00 0.64 H new ATOM 0 HA PHE A 83 12.962 -3.008 4.121 1.00 0.68 H new ATOM 0 HB2 PHE A 83 14.115 -0.927 2.376 1.00 0.74 H new ATOM 0 HB3 PHE A 83 12.435 -1.256 1.999 1.00 0.74 H new ATOM 0 HD1 PHE A 83 13.070 -1.795 5.500 1.00 0.80 H new ATOM 0 HD2 PHE A 83 12.343 1.220 2.583 1.00 0.75 H new ATOM 0 HE1 PHE A 83 12.400 -0.237 7.275 1.00 0.90 H new ATOM 0 HE2 PHE A 83 11.662 2.771 4.352 1.00 0.83 H new ATOM 0 HZ PHE A 83 11.696 2.052 6.704 1.00 0.88 H new ATOM 1299 N THR A 84 13.532 -4.525 1.458 1.00 0.55 N ATOM 1300 CA THR A 84 13.114 -5.464 0.444 1.00 0.58 C ATOM 1301 C THR A 84 11.642 -5.738 0.528 1.00 0.80 C ATOM 1302 O THR A 84 11.153 -6.629 1.230 1.00 1.22 O ATOM 1303 CB THR A 84 13.915 -6.762 0.514 1.00 0.97 C ATOM 1304 OG1 THR A 84 15.324 -6.464 0.492 1.00 1.10 O ATOM 1305 CG2 THR A 84 13.562 -7.673 -0.660 1.00 1.17 C ATOM 0 H THR A 84 14.526 -4.599 1.675 1.00 0.55 H new ATOM 0 HA THR A 84 13.315 -5.004 -0.523 1.00 0.58 H new ATOM 0 HB THR A 84 13.666 -7.277 1.442 1.00 0.97 H new ATOM 0 HG1 THR A 84 15.836 -7.299 0.539 1.00 1.10 H new ATOM 0 HG21 THR A 84 14.142 -8.593 -0.594 1.00 1.17 H new ATOM 0 HG22 THR A 84 12.499 -7.911 -0.629 1.00 1.17 H new ATOM 0 HG23 THR A 84 13.793 -7.165 -1.597 1.00 1.17 H new ATOM 1313 N GLY A 85 10.997 -4.894 -0.216 1.00 0.87 N ATOM 1314 CA GLY A 85 9.597 -4.715 -0.212 1.00 1.43 C ATOM 1315 C GLY A 85 8.839 -5.964 -0.097 1.00 0.96 C ATOM 1316 O GLY A 85 8.851 -6.830 -0.954 1.00 1.29 O ATOM 0 H GLY A 85 11.472 -4.280 -0.878 1.00 0.87 H new ATOM 0 HA2 GLY A 85 9.327 -4.060 0.616 1.00 1.43 H new ATOM 0 HA3 GLY A 85 9.303 -4.206 -1.130 1.00 1.43 H new ATOM 1320 N GLY A 86 8.266 -6.061 1.023 1.00 0.52 N ATOM 1321 CA GLY A 86 7.182 -6.942 1.213 1.00 0.52 C ATOM 1322 C GLY A 86 6.021 -6.142 1.698 1.00 0.40 C ATOM 1323 O GLY A 86 5.560 -6.274 2.828 1.00 0.43 O ATOM 0 H GLY A 86 8.532 -5.529 1.851 1.00 0.52 H new ATOM 0 HA2 GLY A 86 6.934 -7.448 0.280 1.00 0.52 H new ATOM 0 HA3 GLY A 86 7.441 -7.715 1.936 1.00 0.52 H new ATOM 1327 N TYR A 87 5.607 -5.246 0.850 1.00 0.34 N ATOM 1328 CA TYR A 87 4.534 -4.346 1.166 1.00 0.28 C ATOM 1329 C TYR A 87 3.236 -5.093 0.929 1.00 0.30 C ATOM 1330 O TYR A 87 2.912 -5.422 -0.208 1.00 0.39 O ATOM 1331 CB TYR A 87 4.607 -3.106 0.283 1.00 0.35 C ATOM 1332 CG TYR A 87 5.816 -2.239 0.550 1.00 0.39 C ATOM 1333 CD1 TYR A 87 7.062 -2.558 0.026 1.00 0.42 C ATOM 1334 CD2 TYR A 87 5.706 -1.097 1.325 1.00 0.47 C ATOM 1335 CE1 TYR A 87 8.166 -1.765 0.273 1.00 0.49 C ATOM 1336 CE2 TYR A 87 6.804 -0.297 1.574 1.00 0.54 C ATOM 1337 CZ TYR A 87 8.033 -0.637 1.047 1.00 0.54 C ATOM 1338 OH TYR A 87 9.131 0.155 1.299 1.00 0.63 O ATOM 0 H TYR A 87 6.003 -5.118 -0.081 1.00 0.34 H new ATOM 0 HA TYR A 87 4.600 -4.014 2.202 1.00 0.28 H new ATOM 0 HB2 TYR A 87 4.617 -3.415 -0.762 1.00 0.35 H new ATOM 0 HB3 TYR A 87 3.705 -2.512 0.431 1.00 0.35 H new ATOM 0 HD1 TYR A 87 7.170 -3.442 -0.585 1.00 0.42 H new ATOM 0 HD2 TYR A 87 4.747 -0.828 1.741 1.00 0.47 H new ATOM 0 HE1 TYR A 87 9.128 -2.030 -0.140 1.00 0.49 H new ATOM 0 HE2 TYR A 87 6.701 0.592 2.179 1.00 0.54 H new ATOM 0 HH TYR A 87 9.385 0.071 2.242 1.00 0.63 H new ATOM 1348 N ARG A 88 2.526 -5.422 1.987 1.00 0.33 N ATOM 1349 CA ARG A 88 1.307 -6.189 1.843 1.00 0.36 C ATOM 1350 C ARG A 88 0.127 -5.303 2.158 1.00 0.36 C ATOM 1351 O ARG A 88 -0.071 -4.897 3.303 1.00 0.60 O ATOM 1352 CB ARG A 88 1.313 -7.407 2.767 1.00 0.42 C ATOM 1353 CG ARG A 88 0.229 -8.422 2.450 1.00 1.09 C ATOM 1354 CD ARG A 88 0.122 -9.477 3.538 1.00 1.23 C ATOM 1355 NE ARG A 88 1.424 -10.043 3.892 1.00 1.73 N ATOM 1356 CZ ARG A 88 1.619 -10.871 4.917 1.00 2.17 C ATOM 1357 NH1 ARG A 88 0.588 -11.296 5.641 1.00 2.11 N ATOM 1358 NH2 ARG A 88 2.843 -11.296 5.209 1.00 3.15 N ATOM 0 H ARG A 88 2.768 -5.174 2.946 1.00 0.33 H new ATOM 0 HA ARG A 88 1.235 -6.549 0.817 1.00 0.36 H new ATOM 0 HB2 ARG A 88 2.285 -7.896 2.702 1.00 0.42 H new ATOM 0 HB3 ARG A 88 1.193 -7.071 3.797 1.00 0.42 H new ATOM 0 HG2 ARG A 88 -0.728 -7.912 2.340 1.00 1.09 H new ATOM 0 HG3 ARG A 88 0.446 -8.902 1.496 1.00 1.09 H new ATOM 0 HD2 ARG A 88 -0.333 -9.036 4.425 1.00 1.23 H new ATOM 0 HD3 ARG A 88 -0.540 -10.276 3.203 1.00 1.23 H new ATOM 0 HE ARG A 88 2.230 -9.789 3.320 1.00 1.73 H new ATOM 0 HH11 ARG A 88 -0.357 -10.988 5.412 1.00 2.11 H new ATOM 0 HH12 ARG A 88 0.742 -11.930 6.425 1.00 2.11 H new ATOM 0 HH21 ARG A 88 3.637 -10.988 4.648 1.00 3.15 H new ATOM 0 HH22 ARG A 88 2.989 -11.930 5.995 1.00 3.15 H new ATOM 1372 N CYS A 89 -0.634 -4.977 1.141 1.00 0.26 N ATOM 1373 CA CYS A 89 -1.785 -4.134 1.323 1.00 0.27 C ATOM 1374 C CYS A 89 -2.984 -5.006 1.586 1.00 0.25 C ATOM 1375 O CYS A 89 -3.293 -5.911 0.810 1.00 0.31 O ATOM 1376 CB CYS A 89 -2.022 -3.254 0.110 1.00 0.39 C ATOM 1377 SG CYS A 89 -3.001 -1.787 0.458 1.00 1.08 S ATOM 0 H CYS A 89 -0.475 -5.283 0.181 1.00 0.26 H new ATOM 0 HA CYS A 89 -1.613 -3.473 2.172 1.00 0.27 H new ATOM 0 HB2 CYS A 89 -1.059 -2.948 -0.299 1.00 0.39 H new ATOM 0 HB3 CYS A 89 -2.524 -3.840 -0.660 1.00 0.39 H new ATOM 0 HG CYS A 89 -2.233 -0.738 0.439 1.00 1.08 H new ATOM 1383 N GLU A 90 -3.640 -4.737 2.682 1.00 0.26 N ATOM 1384 CA GLU A 90 -4.714 -5.581 3.153 1.00 0.28 C ATOM 1385 C GLU A 90 -5.906 -4.719 3.563 1.00 0.26 C ATOM 1386 O GLU A 90 -5.882 -4.068 4.609 1.00 0.29 O ATOM 1387 CB GLU A 90 -4.210 -6.426 4.335 1.00 0.35 C ATOM 1388 CG GLU A 90 -5.240 -7.363 4.946 1.00 1.19 C ATOM 1389 CD GLU A 90 -4.664 -8.176 6.093 1.00 1.29 C ATOM 1390 OE1 GLU A 90 -3.689 -8.926 5.866 1.00 1.81 O ATOM 1391 OE2 GLU A 90 -5.167 -8.056 7.231 1.00 1.43 O ATOM 0 H GLU A 90 -3.449 -3.930 3.275 1.00 0.26 H new ATOM 0 HA GLU A 90 -5.039 -6.251 2.357 1.00 0.28 H new ATOM 0 HB2 GLU A 90 -3.357 -7.017 4.001 1.00 0.35 H new ATOM 0 HB3 GLU A 90 -3.847 -5.754 5.113 1.00 0.35 H new ATOM 0 HG2 GLU A 90 -6.090 -6.782 5.305 1.00 1.19 H new ATOM 0 HG3 GLU A 90 -5.617 -8.038 4.177 1.00 1.19 H new ATOM 1398 N VAL A 91 -6.932 -4.684 2.724 1.00 0.24 N ATOM 1399 CA VAL A 91 -8.138 -3.937 3.050 1.00 0.22 C ATOM 1400 C VAL A 91 -9.220 -4.875 3.552 1.00 0.22 C ATOM 1401 O VAL A 91 -9.362 -6.004 3.072 1.00 0.24 O ATOM 1402 CB VAL A 91 -8.679 -3.111 1.857 1.00 0.23 C ATOM 1403 CG1 VAL A 91 -8.797 -3.963 0.608 1.00 0.54 C ATOM 1404 CG2 VAL A 91 -10.016 -2.458 2.204 1.00 0.51 C ATOM 0 H VAL A 91 -6.954 -5.159 1.822 1.00 0.24 H new ATOM 0 HA VAL A 91 -7.862 -3.231 3.833 1.00 0.22 H new ATOM 0 HB VAL A 91 -7.961 -2.317 1.650 1.00 0.23 H new ATOM 0 HG11 VAL A 91 -9.179 -3.355 -0.212 1.00 0.54 H new ATOM 0 HG12 VAL A 91 -7.816 -4.356 0.342 1.00 0.54 H new ATOM 0 HG13 VAL A 91 -9.481 -4.791 0.796 1.00 0.54 H new ATOM 0 HG21 VAL A 91 -10.373 -1.884 1.349 1.00 0.51 H new ATOM 0 HG22 VAL A 91 -10.744 -3.230 2.453 1.00 0.51 H new ATOM 0 HG23 VAL A 91 -9.886 -1.793 3.058 1.00 0.51 H new ATOM 1414 N SER A 92 -9.982 -4.394 4.509 1.00 0.22 N ATOM 1415 CA SER A 92 -11.042 -5.180 5.096 1.00 0.25 C ATOM 1416 C SER A 92 -12.240 -4.289 5.324 1.00 0.26 C ATOM 1417 O SER A 92 -12.217 -3.383 6.156 1.00 0.30 O ATOM 1418 CB SER A 92 -10.576 -5.824 6.409 1.00 0.32 C ATOM 1419 OG SER A 92 -11.499 -6.803 6.867 1.00 1.18 O ATOM 0 H SER A 92 -9.886 -3.456 4.899 1.00 0.22 H new ATOM 0 HA SER A 92 -11.318 -5.988 4.418 1.00 0.25 H new ATOM 0 HB2 SER A 92 -9.599 -6.284 6.263 1.00 0.32 H new ATOM 0 HB3 SER A 92 -10.454 -5.053 7.170 1.00 0.32 H new ATOM 0 HG SER A 92 -11.172 -7.195 7.704 1.00 1.18 H new ATOM 1425 N THR A 93 -13.259 -4.507 4.528 1.00 0.28 N ATOM 1426 CA THR A 93 -14.473 -3.737 4.612 1.00 0.35 C ATOM 1427 C THR A 93 -15.651 -4.647 4.595 1.00 0.39 C ATOM 1428 O THR A 93 -15.603 -5.620 3.873 1.00 0.59 O ATOM 1429 CB THR A 93 -14.606 -2.817 3.439 1.00 0.42 C ATOM 1430 OG1 THR A 93 -13.318 -2.505 2.914 1.00 0.74 O ATOM 1431 CG2 THR A 93 -15.297 -1.568 3.873 1.00 0.57 C ATOM 0 H THR A 93 -13.268 -5.225 3.803 1.00 0.28 H new ATOM 0 HA THR A 93 -14.433 -3.161 5.537 1.00 0.35 H new ATOM 0 HB THR A 93 -15.191 -3.304 2.659 1.00 0.42 H new ATOM 0 HG1 THR A 93 -12.699 -2.323 3.652 1.00 0.74 H new ATOM 0 HG21 THR A 93 -15.397 -0.893 3.023 1.00 0.57 H new ATOM 0 HG22 THR A 93 -16.286 -1.815 4.259 1.00 0.57 H new ATOM 0 HG23 THR A 93 -14.713 -1.082 4.655 1.00 0.57 H new ATOM 1439 N LYS A 94 -16.712 -4.257 5.308 1.00 0.43 N ATOM 1440 CA LYS A 94 -17.954 -5.039 5.469 1.00 0.43 C ATOM 1441 C LYS A 94 -17.754 -6.553 5.420 1.00 0.42 C ATOM 1442 O LYS A 94 -17.830 -7.242 6.435 1.00 0.53 O ATOM 1443 CB LYS A 94 -19.045 -4.604 4.459 1.00 0.45 C ATOM 1444 CG LYS A 94 -18.572 -4.027 3.112 1.00 0.47 C ATOM 1445 CD LYS A 94 -18.115 -5.082 2.110 1.00 0.50 C ATOM 1446 CE LYS A 94 -19.133 -6.199 1.895 1.00 0.41 C ATOM 1447 NZ LYS A 94 -20.491 -5.710 1.546 1.00 0.65 N ATOM 0 H LYS A 94 -16.737 -3.366 5.804 1.00 0.43 H new ATOM 0 HA LYS A 94 -18.295 -4.809 6.479 1.00 0.43 H new ATOM 0 HB2 LYS A 94 -19.677 -5.468 4.252 1.00 0.45 H new ATOM 0 HB3 LYS A 94 -19.674 -3.857 4.943 1.00 0.45 H new ATOM 0 HG2 LYS A 94 -19.384 -3.450 2.671 1.00 0.47 H new ATOM 0 HG3 LYS A 94 -17.751 -3.334 3.294 1.00 0.47 H new ATOM 0 HD2 LYS A 94 -17.910 -4.599 1.154 1.00 0.50 H new ATOM 0 HD3 LYS A 94 -17.177 -5.517 2.455 1.00 0.50 H new ATOM 0 HE2 LYS A 94 -18.777 -6.855 1.100 1.00 0.41 H new ATOM 0 HE3 LYS A 94 -19.195 -6.801 2.801 1.00 0.41 H new ATOM 0 HZ1 LYS A 94 -21.165 -6.502 1.581 1.00 0.65 H new ATOM 0 HZ2 LYS A 94 -20.782 -4.978 2.225 1.00 0.65 H new ATOM 0 HZ3 LYS A 94 -20.479 -5.307 0.587 1.00 0.65 H new ATOM 1461 N ASP A 95 -17.498 -7.037 4.231 1.00 0.36 N ATOM 1462 CA ASP A 95 -17.374 -8.439 3.950 1.00 0.40 C ATOM 1463 C ASP A 95 -16.441 -8.660 2.763 1.00 0.37 C ATOM 1464 O ASP A 95 -16.171 -9.796 2.392 1.00 0.47 O ATOM 1465 CB ASP A 95 -18.745 -9.004 3.636 1.00 0.46 C ATOM 1466 CG ASP A 95 -18.845 -10.493 3.889 1.00 0.66 C ATOM 1467 OD1 ASP A 95 -18.592 -10.930 5.032 1.00 0.89 O ATOM 1468 OD2 ASP A 95 -19.197 -11.231 2.949 1.00 1.05 O ATOM 0 H ASP A 95 -17.367 -6.446 3.410 1.00 0.36 H new ATOM 0 HA ASP A 95 -16.956 -8.945 4.820 1.00 0.40 H new ATOM 0 HB2 ASP A 95 -19.491 -8.488 4.240 1.00 0.46 H new ATOM 0 HB3 ASP A 95 -18.984 -8.802 2.592 1.00 0.46 H new ATOM 1473 N LYS A 96 -15.942 -7.568 2.169 1.00 0.29 N ATOM 1474 CA LYS A 96 -15.054 -7.677 1.046 1.00 0.29 C ATOM 1475 C LYS A 96 -13.640 -7.657 1.543 1.00 0.27 C ATOM 1476 O LYS A 96 -13.253 -6.845 2.386 1.00 0.29 O ATOM 1477 CB LYS A 96 -15.227 -6.586 -0.023 1.00 0.30 C ATOM 1478 CG LYS A 96 -16.083 -7.012 -1.193 1.00 0.56 C ATOM 1479 CD LYS A 96 -15.275 -7.816 -2.192 1.00 0.82 C ATOM 1480 CE LYS A 96 -13.961 -7.126 -2.489 1.00 1.00 C ATOM 1481 NZ LYS A 96 -13.427 -7.497 -3.809 1.00 1.29 N ATOM 0 H LYS A 96 -16.148 -6.612 2.459 1.00 0.29 H new ATOM 0 HA LYS A 96 -15.304 -8.617 0.554 1.00 0.29 H new ATOM 0 HB2 LYS A 96 -15.671 -5.704 0.439 1.00 0.30 H new ATOM 0 HB3 LYS A 96 -14.244 -6.292 -0.391 1.00 0.30 H new ATOM 0 HG2 LYS A 96 -16.923 -7.608 -0.836 1.00 0.56 H new ATOM 0 HG3 LYS A 96 -16.501 -6.132 -1.682 1.00 0.56 H new ATOM 0 HD2 LYS A 96 -15.087 -8.814 -1.797 1.00 0.82 H new ATOM 0 HD3 LYS A 96 -15.844 -7.940 -3.113 1.00 0.82 H new ATOM 0 HE2 LYS A 96 -14.101 -6.046 -2.446 1.00 1.00 H new ATOM 0 HE3 LYS A 96 -13.234 -7.384 -1.719 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 -12.433 -7.200 -3.877 1.00 1.29 H new ATOM 0 HZ2 LYS A 96 -13.490 -8.528 -3.932 1.00 1.29 H new ATOM 0 HZ3 LYS A 96 -13.981 -7.025 -4.552 1.00 1.29 H new ATOM 1495 N PHE A 97 -12.901 -8.565 1.018 1.00 0.28 N ATOM 1496 CA PHE A 97 -11.535 -8.770 1.407 1.00 0.29 C ATOM 1497 C PHE A 97 -10.648 -8.832 0.183 1.00 0.32 C ATOM 1498 O PHE A 97 -10.925 -9.542 -0.783 1.00 0.47 O ATOM 1499 CB PHE A 97 -11.448 -10.049 2.220 1.00 0.40 C ATOM 1500 CG PHE A 97 -10.169 -10.224 2.997 1.00 0.46 C ATOM 1501 CD1 PHE A 97 -9.846 -9.356 4.030 1.00 0.62 C ATOM 1502 CD2 PHE A 97 -9.302 -11.264 2.708 1.00 0.65 C ATOM 1503 CE1 PHE A 97 -8.682 -9.522 4.754 1.00 0.75 C ATOM 1504 CE2 PHE A 97 -8.137 -11.435 3.429 1.00 0.77 C ATOM 1505 CZ PHE A 97 -7.827 -10.564 4.454 1.00 0.74 C ATOM 0 H PHE A 97 -13.225 -9.204 0.292 1.00 0.28 H new ATOM 0 HA PHE A 97 -11.188 -7.937 2.019 1.00 0.29 H new ATOM 0 HB2 PHE A 97 -12.286 -10.076 2.917 1.00 0.40 H new ATOM 0 HB3 PHE A 97 -11.566 -10.898 1.547 1.00 0.40 H new ATOM 0 HD1 PHE A 97 -10.513 -8.541 4.271 1.00 0.62 H new ATOM 0 HD2 PHE A 97 -9.540 -11.950 1.909 1.00 0.65 H new ATOM 0 HE1 PHE A 97 -8.441 -8.838 5.554 1.00 0.75 H new ATOM 0 HE2 PHE A 97 -7.469 -12.250 3.191 1.00 0.77 H new ATOM 0 HZ PHE A 97 -6.917 -10.697 5.020 1.00 0.74 H new ATOM 1515 N ASP A 98 -9.602 -8.056 0.242 1.00 0.31 N ATOM 1516 CA ASP A 98 -8.612 -7.987 -0.824 1.00 0.43 C ATOM 1517 C ASP A 98 -7.253 -7.725 -0.220 1.00 0.36 C ATOM 1518 O ASP A 98 -7.122 -6.968 0.744 1.00 0.36 O ATOM 1519 CB ASP A 98 -8.920 -6.883 -1.845 1.00 0.56 C ATOM 1520 CG ASP A 98 -9.840 -7.312 -2.981 1.00 1.03 C ATOM 1521 OD1 ASP A 98 -9.461 -8.224 -3.755 1.00 1.26 O ATOM 1522 OD2 ASP A 98 -10.965 -6.770 -3.084 1.00 1.60 O ATOM 0 H ASP A 98 -9.401 -7.444 1.033 1.00 0.31 H new ATOM 0 HA ASP A 98 -8.634 -8.941 -1.351 1.00 0.43 H new ATOM 0 HB2 ASP A 98 -9.375 -6.041 -1.324 1.00 0.56 H new ATOM 0 HB3 ASP A 98 -7.982 -6.526 -2.269 1.00 0.56 H new ATOM 1527 N CYS A 99 -6.249 -8.351 -0.789 1.00 0.35 N ATOM 1528 CA CYS A 99 -4.890 -8.202 -0.316 1.00 0.30 C ATOM 1529 C CYS A 99 -3.924 -8.244 -1.482 1.00 0.32 C ATOM 1530 O CYS A 99 -4.171 -8.911 -2.490 1.00 0.42 O ATOM 1531 CB CYS A 99 -4.526 -9.293 0.691 1.00 0.34 C ATOM 1532 SG CYS A 99 -5.652 -9.416 2.097 1.00 1.19 S ATOM 0 H CYS A 99 -6.349 -8.975 -1.589 1.00 0.35 H new ATOM 0 HA CYS A 99 -4.817 -7.237 0.185 1.00 0.30 H new ATOM 0 HB2 CYS A 99 -4.502 -10.253 0.175 1.00 0.34 H new ATOM 0 HB3 CYS A 99 -3.519 -9.106 1.063 1.00 0.34 H new ATOM 0 HG CYS A 99 -6.388 -10.481 1.972 1.00 1.19 H new ATOM 1538 N SER A 100 -2.839 -7.522 -1.343 1.00 0.27 N ATOM 1539 CA SER A 100 -1.825 -7.472 -2.377 1.00 0.30 C ATOM 1540 C SER A 100 -0.457 -7.769 -1.825 1.00 0.31 C ATOM 1541 O SER A 100 -0.150 -7.470 -0.672 1.00 0.42 O ATOM 1542 CB SER A 100 -1.812 -6.121 -3.072 1.00 0.38 C ATOM 1543 OG SER A 100 -2.025 -5.074 -2.150 1.00 0.84 O ATOM 0 H SER A 100 -2.631 -6.956 -0.520 1.00 0.27 H new ATOM 0 HA SER A 100 -2.080 -8.241 -3.106 1.00 0.30 H new ATOM 0 HB2 SER A 100 -0.856 -5.977 -3.576 1.00 0.38 H new ATOM 0 HB3 SER A 100 -2.585 -6.096 -3.840 1.00 0.38 H new ATOM 0 HG SER A 100 -2.964 -4.796 -2.182 1.00 0.84 H new ATOM 1549 N ASN A 101 0.348 -8.373 -2.662 1.00 0.34 N ATOM 1550 CA ASN A 101 1.718 -8.687 -2.322 1.00 0.37 C ATOM 1551 C ASN A 101 2.643 -8.175 -3.412 1.00 0.42 C ATOM 1552 O ASN A 101 2.610 -8.640 -4.547 1.00 0.65 O ATOM 1553 CB ASN A 101 1.905 -10.196 -2.074 1.00 0.60 C ATOM 1554 CG ASN A 101 1.149 -11.101 -3.047 1.00 0.97 C ATOM 1555 OD1 ASN A 101 0.642 -12.145 -2.645 1.00 1.58 O ATOM 1556 ND2 ASN A 101 1.099 -10.744 -4.324 1.00 1.05 N ATOM 0 H ASN A 101 0.074 -8.663 -3.601 1.00 0.34 H new ATOM 0 HA ASN A 101 1.974 -8.186 -1.388 1.00 0.37 H new ATOM 0 HB2 ASN A 101 2.968 -10.431 -2.131 1.00 0.60 H new ATOM 0 HB3 ASN A 101 1.582 -10.426 -1.059 1.00 0.60 H new ATOM 0 HD21 ASN A 101 0.630 -11.343 -5.003 1.00 1.05 H new ATOM 0 HD22 ASN A 101 1.530 -9.870 -4.627 1.00 1.05 H new ATOM 1563 N PHE A 102 3.436 -7.184 -3.072 1.00 0.31 N ATOM 1564 CA PHE A 102 4.290 -6.539 -4.040 1.00 0.38 C ATOM 1565 C PHE A 102 5.619 -6.207 -3.401 1.00 0.30 C ATOM 1566 O PHE A 102 5.687 -5.658 -2.296 1.00 0.37 O ATOM 1567 CB PHE A 102 3.605 -5.307 -4.621 1.00 0.57 C ATOM 1568 CG PHE A 102 2.983 -4.394 -3.613 1.00 0.46 C ATOM 1569 CD1 PHE A 102 1.774 -4.718 -3.025 1.00 0.59 C ATOM 1570 CD2 PHE A 102 3.597 -3.207 -3.262 1.00 0.61 C ATOM 1571 CE1 PHE A 102 1.191 -3.878 -2.105 1.00 0.74 C ATOM 1572 CE2 PHE A 102 3.017 -2.360 -2.347 1.00 0.84 C ATOM 1573 CZ PHE A 102 1.814 -2.700 -1.764 1.00 0.86 C ATOM 0 H PHE A 102 3.506 -6.807 -2.127 1.00 0.31 H new ATOM 0 HA PHE A 102 4.479 -7.217 -4.872 1.00 0.38 H new ATOM 0 HB2 PHE A 102 4.337 -4.742 -5.198 1.00 0.57 H new ATOM 0 HB3 PHE A 102 2.833 -5.634 -5.318 1.00 0.57 H new ATOM 0 HD1 PHE A 102 1.282 -5.642 -3.291 1.00 0.59 H new ATOM 0 HD2 PHE A 102 4.543 -2.942 -3.711 1.00 0.61 H new ATOM 0 HE1 PHE A 102 0.247 -4.143 -1.652 1.00 0.74 H new ATOM 0 HE2 PHE A 102 3.502 -1.431 -2.086 1.00 0.84 H new ATOM 0 HZ PHE A 102 1.361 -2.040 -1.039 1.00 0.86 H new ATOM 1583 N ASN A 103 6.671 -6.568 -4.092 1.00 0.24 N ATOM 1584 CA ASN A 103 7.987 -6.559 -3.533 1.00 0.25 C ATOM 1585 C ASN A 103 8.832 -5.417 -4.036 1.00 0.28 C ATOM 1586 O ASN A 103 8.831 -5.065 -5.204 1.00 0.49 O ATOM 1587 CB ASN A 103 8.679 -7.892 -3.807 1.00 0.33 C ATOM 1588 CG ASN A 103 8.425 -8.458 -5.188 1.00 1.08 C ATOM 1589 OD1 ASN A 103 8.405 -7.744 -6.181 1.00 2.11 O ATOM 1590 ND2 ASN A 103 8.192 -9.752 -5.250 1.00 1.25 N ATOM 0 H ASN A 103 6.632 -6.877 -5.063 1.00 0.24 H new ATOM 0 HA ASN A 103 7.876 -6.414 -2.458 1.00 0.25 H new ATOM 0 HB2 ASN A 103 9.753 -7.764 -3.672 1.00 0.33 H new ATOM 0 HB3 ASN A 103 8.349 -8.618 -3.064 1.00 0.33 H new ATOM 0 HD21 ASN A 103 7.986 -10.191 -6.148 1.00 1.25 H new ATOM 0 HD22 ASN A 103 8.217 -10.316 -4.401 1.00 1.25 H new ATOM 1597 N LEU A 104 9.548 -4.851 -3.111 1.00 0.23 N ATOM 1598 CA LEU A 104 10.537 -3.822 -3.422 1.00 0.24 C ATOM 1599 C LEU A 104 11.929 -4.417 -3.341 1.00 0.25 C ATOM 1600 O LEU A 104 12.467 -4.644 -2.264 1.00 0.37 O ATOM 1601 CB LEU A 104 10.440 -2.595 -2.486 1.00 0.27 C ATOM 1602 CG LEU A 104 11.753 -1.897 -2.210 1.00 0.25 C ATOM 1603 CD1 LEU A 104 11.861 -0.655 -3.065 1.00 0.28 C ATOM 1604 CD2 LEU A 104 11.962 -1.573 -0.727 1.00 0.30 C ATOM 0 H LEU A 104 9.476 -5.077 -2.119 1.00 0.23 H new ATOM 0 HA LEU A 104 10.330 -3.470 -4.433 1.00 0.24 H new ATOM 0 HB2 LEU A 104 9.749 -1.876 -2.925 1.00 0.27 H new ATOM 0 HB3 LEU A 104 10.009 -2.914 -1.537 1.00 0.27 H new ATOM 0 HG LEU A 104 12.552 -2.589 -2.476 1.00 0.25 H new ATOM 0 HD11 LEU A 104 12.808 -0.155 -2.863 1.00 0.28 H new ATOM 0 HD12 LEU A 104 11.815 -0.933 -4.118 1.00 0.28 H new ATOM 0 HD13 LEU A 104 11.038 0.020 -2.832 1.00 0.28 H new ATOM 0 HD21 LEU A 104 12.922 -1.073 -0.596 1.00 0.30 H new ATOM 0 HD22 LEU A 104 11.162 -0.919 -0.381 1.00 0.30 H new ATOM 0 HD23 LEU A 104 11.951 -2.496 -0.148 1.00 0.30 H new ATOM 1616 N THR A 105 12.529 -4.679 -4.464 1.00 0.23 N ATOM 1617 CA THR A 105 13.863 -5.199 -4.438 1.00 0.24 C ATOM 1618 C THR A 105 14.826 -4.035 -4.368 1.00 0.21 C ATOM 1619 O THR A 105 15.164 -3.422 -5.380 1.00 0.22 O ATOM 1620 CB THR A 105 14.173 -6.071 -5.657 1.00 0.28 C ATOM 1621 OG1 THR A 105 13.104 -7.006 -5.870 1.00 0.33 O ATOM 1622 CG2 THR A 105 15.483 -6.822 -5.463 1.00 0.32 C ATOM 0 H THR A 105 12.126 -4.545 -5.392 1.00 0.23 H new ATOM 0 HA THR A 105 13.968 -5.840 -3.563 1.00 0.24 H new ATOM 0 HB THR A 105 14.270 -5.425 -6.529 1.00 0.28 H new ATOM 0 HG1 THR A 105 12.650 -6.798 -6.713 1.00 0.33 H new ATOM 0 HG21 THR A 105 15.684 -7.436 -6.341 1.00 0.32 H new ATOM 0 HG22 THR A 105 16.295 -6.108 -5.326 1.00 0.32 H new ATOM 0 HG23 THR A 105 15.409 -7.461 -4.583 1.00 0.32 H new ATOM 1630 N VAL A 106 15.230 -3.716 -3.155 1.00 0.23 N ATOM 1631 CA VAL A 106 16.124 -2.625 -2.920 1.00 0.23 C ATOM 1632 C VAL A 106 17.540 -3.099 -3.156 1.00 0.25 C ATOM 1633 O VAL A 106 18.091 -3.952 -2.461 1.00 0.28 O ATOM 1634 CB VAL A 106 15.952 -1.999 -1.513 1.00 0.27 C ATOM 1635 CG1 VAL A 106 16.200 -3.002 -0.414 1.00 0.31 C ATOM 1636 CG2 VAL A 106 16.811 -0.751 -1.362 1.00 0.33 C ATOM 0 H VAL A 106 14.942 -4.212 -2.312 1.00 0.23 H new ATOM 0 HA VAL A 106 15.885 -1.824 -3.620 1.00 0.23 H new ATOM 0 HB VAL A 106 14.911 -1.690 -1.414 1.00 0.27 H new ATOM 0 HG11 VAL A 106 16.069 -2.520 0.555 1.00 0.31 H new ATOM 0 HG12 VAL A 106 15.494 -3.827 -0.508 1.00 0.31 H new ATOM 0 HG13 VAL A 106 17.217 -3.385 -0.494 1.00 0.31 H new ATOM 0 HG21 VAL A 106 16.671 -0.332 -0.366 1.00 0.33 H new ATOM 0 HG22 VAL A 106 17.860 -1.012 -1.502 1.00 0.33 H new ATOM 0 HG23 VAL A 106 16.517 -0.015 -2.110 1.00 0.33 H new ATOM 1646 N HIS A 107 18.074 -2.548 -4.195 1.00 0.26 N ATOM 1647 CA HIS A 107 19.366 -2.922 -4.715 1.00 0.31 C ATOM 1648 C HIS A 107 20.443 -2.159 -3.995 1.00 0.34 C ATOM 1649 O HIS A 107 20.692 -0.985 -4.258 1.00 0.36 O ATOM 1650 CB HIS A 107 19.454 -2.663 -6.223 1.00 0.36 C ATOM 1651 CG HIS A 107 18.536 -3.518 -7.042 1.00 0.43 C ATOM 1652 ND1 HIS A 107 18.799 -4.838 -7.324 1.00 1.19 N ATOM 1653 CD2 HIS A 107 17.346 -3.241 -7.631 1.00 0.70 C ATOM 1654 CE1 HIS A 107 17.823 -5.336 -8.054 1.00 1.10 C ATOM 1655 NE2 HIS A 107 16.924 -4.390 -8.253 1.00 0.53 N ATOM 0 H HIS A 107 17.620 -1.805 -4.726 1.00 0.26 H new ATOM 0 HA HIS A 107 19.505 -3.990 -4.550 1.00 0.31 H new ATOM 0 HB2 HIS A 107 19.226 -1.615 -6.415 1.00 0.36 H new ATOM 0 HB3 HIS A 107 20.480 -2.831 -6.551 1.00 0.36 H new ATOM 0 HD1 HIS A 107 19.624 -5.352 -7.015 1.00 1.19 H new ATOM 0 HD2 HIS A 107 16.827 -2.294 -7.614 1.00 0.70 H new ATOM 0 HE1 HIS A 107 17.767 -6.348 -8.427 1.00 1.10 H new ATOM 1664 N GLU A 108 21.028 -2.831 -3.048 1.00 0.45 N ATOM 1665 CA GLU A 108 22.191 -2.318 -2.347 1.00 0.56 C ATOM 1666 C GLU A 108 23.436 -2.476 -3.211 1.00 0.71 C ATOM 1667 O GLU A 108 23.952 -1.508 -3.768 1.00 1.33 O ATOM 1668 CB GLU A 108 22.374 -3.054 -1.021 1.00 0.71 C ATOM 1669 CG GLU A 108 23.426 -2.427 -0.127 1.00 0.87 C ATOM 1670 CD GLU A 108 23.771 -3.290 1.066 1.00 1.20 C ATOM 1671 OE1 GLU A 108 23.067 -3.211 2.091 1.00 1.66 O ATOM 1672 OE2 GLU A 108 24.757 -4.048 0.980 1.00 1.67 O ATOM 0 H GLU A 108 20.720 -3.751 -2.732 1.00 0.45 H new ATOM 0 HA GLU A 108 22.038 -1.259 -2.142 1.00 0.56 H new ATOM 0 HB2 GLU A 108 21.422 -3.075 -0.491 1.00 0.71 H new ATOM 0 HB3 GLU A 108 22.649 -4.089 -1.223 1.00 0.71 H new ATOM 0 HG2 GLU A 108 24.329 -2.243 -0.710 1.00 0.87 H new ATOM 0 HG3 GLU A 108 23.069 -1.458 0.222 1.00 0.87 H new ATOM 1679 N ALA A 109 23.891 -3.709 -3.339 1.00 1.29 N ATOM 1680 CA ALA A 109 25.063 -4.018 -4.133 1.00 1.54 C ATOM 1681 C ALA A 109 24.741 -5.137 -5.111 1.00 2.12 C ATOM 1682 O ALA A 109 25.633 -5.724 -5.717 1.00 2.78 O ATOM 1683 CB ALA A 109 26.224 -4.409 -3.228 1.00 2.44 C ATOM 0 H ALA A 109 23.460 -4.521 -2.897 1.00 1.29 H new ATOM 0 HA ALA A 109 25.356 -3.134 -4.699 1.00 1.54 H new ATOM 0 HB1 ALA A 109 27.098 -4.639 -3.837 1.00 2.44 H new ATOM 0 HB2 ALA A 109 26.456 -3.582 -2.557 1.00 2.44 H new ATOM 0 HB3 ALA A 109 25.949 -5.286 -2.642 1.00 2.44 H new ATOM 1689 N MET A 110 23.453 -5.425 -5.257 1.00 2.77 N ATOM 1690 CA MET A 110 22.994 -6.481 -6.148 1.00 3.92 C ATOM 1691 C MET A 110 21.593 -6.157 -6.639 1.00 4.80 C ATOM 1692 O MET A 110 21.373 -6.143 -7.864 1.00 5.41 O ATOM 1693 CB MET A 110 22.996 -7.838 -5.436 1.00 4.52 C ATOM 1694 CG MET A 110 22.700 -9.013 -6.359 1.00 5.33 C ATOM 1695 SD MET A 110 22.491 -10.564 -5.465 1.00 6.12 S ATOM 1696 CE MET A 110 20.991 -10.210 -4.553 1.00 6.92 C ATOM 1697 OXT MET A 110 20.723 -5.862 -5.793 1.00 5.23 O ATOM 0 H MET A 110 22.704 -4.937 -4.765 1.00 2.77 H new ATOM 0 HA MET A 110 23.676 -6.541 -6.996 1.00 3.92 H new ATOM 0 HB2 MET A 110 23.968 -7.991 -4.967 1.00 4.52 H new ATOM 0 HB3 MET A 110 22.256 -7.820 -4.636 1.00 4.52 H new ATOM 0 HG2 MET A 110 21.796 -8.803 -6.930 1.00 5.33 H new ATOM 0 HG3 MET A 110 23.513 -9.119 -7.077 1.00 5.33 H new ATOM 0 HE1 MET A 110 20.491 -11.144 -4.298 1.00 6.92 H new ATOM 0 HE2 MET A 110 21.240 -9.670 -3.639 1.00 6.92 H new ATOM 0 HE3 MET A 110 20.328 -9.600 -5.166 1.00 6.92 H new TER 1707 MET A 110