USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1110 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 GLN : amide:sc= 2.01 K(o=1.8,f=-2.8!) USER MOD Set 1.2: A 109 CYS SG : rot 80:sc= -0.199 USER MOD Set 2.1: A 69 GLN : amide:sc= -0.0153 K(o=-2.3,f=-3.6) USER MOD Set 2.2: A 103 MET CE :methyl -171:sc= -2.26 (180deg=-3.05!) USER MOD Set 3.1: A 31 TYR OH : rot 71:sc= 1.42 USER MOD Set 3.2: A 50 CYS SG : rot 138:sc= 0.782 USER MOD Set 3.3: A 55 SER OG : rot -152:sc= 1.31 USER MOD Set 4.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 16 ASN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= 0.296 (180deg=0.238) USER MOD Single : A 24 SER OG : rot 180:sc= 0.155 USER MOD Single : A 27 CYS SG : rot -76:sc= 0.201 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -32:sc= 0.353 USER MOD Single : A 39 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-7.3!) USER MOD Single : A 43 GLN : amide:sc= -0.828 K(o=-0.83,f=-1.7) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.27 K(o=-1.3,f=-6!) USER MOD Single : A 48 ASN : amide:sc= 0.182 K(o=0.18,f=-4.4!) USER MOD Single : A 62 THR OG1 : rot 133:sc= 1.25 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0173 K(o=-0.017,f=-2.6) USER MOD Single : A 67 SER OG : rot -70:sc= 1.22 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0.603 K(o=0.6,f=-5.4!) USER MOD Single : A 79 GLN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 81 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.5) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.787 USER MOD Single : A 84 SER OG : rot 123:sc= 0.354 USER MOD Single : A 87 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -142:sc= 1.83 (180deg=0.273) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.748 X(o=-0.75,f=-0.86) USER MOD Single : A 124 MET CE :methyl -165:sc= -0.133 (180deg=-0.542) USER MOD Single : A 126 CYS SG : rot 169:sc= 0.541 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 GLN : amide:sc= 1.3 K(o=1.3,f=-7.5!) USER MOD Single : A 142 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.0098) USER MOD Single : A 143 GLN : amide:sc= 0.953 K(o=0.95,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 4 -20.770 -2.882 8.028 1.00 1.00 N ATOM 37 CA PRO A 4 -19.390 -2.500 8.301 1.00 1.00 C ATOM 38 C PRO A 4 -18.423 -3.498 7.671 1.00 1.00 C ATOM 39 O PRO A 4 -18.842 -4.530 7.140 1.00 1.00 O ATOM 40 CB PRO A 4 -19.263 -2.503 9.819 1.00 1.00 C ATOM 41 CG PRO A 4 -20.220 -3.618 10.236 1.00 1.00 C ATOM 42 CD PRO A 4 -21.348 -3.506 9.210 1.00 1.00 C ATOM 0 HA PRO A 4 -19.146 -1.525 7.880 1.00 1.00 H new ATOM 0 HB2 PRO A 4 -18.241 -2.706 10.139 1.00 1.00 H new ATOM 0 HB3 PRO A 4 -19.547 -1.543 10.251 1.00 1.00 H new ATOM 0 HG2 PRO A 4 -19.739 -4.596 10.202 1.00 1.00 H new ATOM 0 HG3 PRO A 4 -20.585 -3.477 11.253 1.00 1.00 H new ATOM 0 HD2 PRO A 4 -21.754 -4.489 8.971 1.00 1.00 H new ATOM 0 HD3 PRO A 4 -22.171 -2.908 9.602 1.00 1.00 H new ATOM 50 N ARG A 5 -17.124 -3.185 7.743 1.00 1.00 N ATOM 51 CA ARG A 5 -16.014 -3.688 6.938 1.00 1.00 C ATOM 52 C ARG A 5 -15.946 -2.880 5.650 1.00 1.00 C ATOM 53 O ARG A 5 -14.860 -2.717 5.105 1.00 1.00 O ATOM 54 CB ARG A 5 -16.116 -5.187 6.639 1.00 1.00 C ATOM 55 CG ARG A 5 -14.789 -5.826 6.236 1.00 1.00 C ATOM 56 CD ARG A 5 -14.166 -6.674 7.351 1.00 1.00 C ATOM 57 NE ARG A 5 -13.647 -5.856 8.461 1.00 1.00 N ATOM 58 CZ ARG A 5 -12.351 -5.656 8.741 1.00 1.00 C ATOM 59 NH1 ARG A 5 -11.383 -6.153 7.972 1.00 1.00 N ATOM 60 NH2 ARG A 5 -12.011 -4.943 9.808 1.00 1.00 N ATOM 0 H ARG A 5 -16.797 -2.509 8.433 1.00 1.00 H new ATOM 0 HA ARG A 5 -15.096 -3.567 7.513 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -16.502 -5.699 7.521 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -16.840 -5.340 5.839 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -14.946 -6.451 5.357 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -14.088 -5.042 5.949 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -14.913 -7.369 7.735 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -13.356 -7.274 6.937 1.00 1.00 H new ATOM 0 HE ARG A 5 -14.331 -5.404 9.068 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -11.619 -6.702 7.145 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -10.406 -5.985 8.210 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -12.734 -4.550 10.411 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -11.027 -4.788 10.025 1.00 1.00 H new ATOM 74 N VAL A 6 -17.073 -2.307 5.233 1.00 1.00 N ATOM 75 CA VAL A 6 -17.168 -1.360 4.147 1.00 1.00 C ATOM 76 C VAL A 6 -17.919 -0.127 4.629 1.00 1.00 C ATOM 77 O VAL A 6 -18.483 -0.116 5.727 1.00 1.00 O ATOM 78 CB VAL A 6 -17.795 -1.992 2.895 1.00 1.00 C ATOM 79 CG1 VAL A 6 -16.911 -3.125 2.396 1.00 1.00 C ATOM 80 CG2 VAL A 6 -19.217 -2.519 3.113 1.00 1.00 C ATOM 0 H VAL A 6 -17.975 -2.504 5.666 1.00 1.00 H new ATOM 0 HA VAL A 6 -16.167 -1.052 3.843 1.00 1.00 H new ATOM 0 HB VAL A 6 -17.867 -1.195 2.155 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -17.358 -3.571 1.508 1.00 1.00 H new ATOM 0 HG12 VAL A 6 -15.924 -2.734 2.148 1.00 1.00 H new ATOM 0 HG13 VAL A 6 -16.816 -3.882 3.174 1.00 1.00 H new ATOM 0 HG21 VAL A 6 -19.592 -2.950 2.185 1.00 1.00 H new ATOM 0 HG22 VAL A 6 -19.207 -3.284 3.890 1.00 1.00 H new ATOM 0 HG23 VAL A 6 -19.866 -1.699 3.420 1.00 1.00 H new ATOM 90 N VAL A 7 -17.949 0.904 3.797 1.00 1.00 N ATOM 91 CA VAL A 7 -18.881 2.013 3.920 1.00 1.00 C ATOM 92 C VAL A 7 -19.881 1.926 2.762 1.00 1.00 C ATOM 93 O VAL A 7 -19.582 1.274 1.750 1.00 1.00 O ATOM 94 CB VAL A 7 -18.118 3.349 3.940 1.00 1.00 C ATOM 95 CG1 VAL A 7 -17.078 3.391 5.070 1.00 1.00 C ATOM 96 CG2 VAL A 7 -17.395 3.634 2.617 1.00 1.00 C ATOM 0 H VAL A 7 -17.314 0.994 3.004 1.00 1.00 H new ATOM 0 HA VAL A 7 -19.431 1.958 4.859 1.00 1.00 H new ATOM 0 HB VAL A 7 -18.878 4.113 4.103 1.00 1.00 H new ATOM 0 HG11 VAL A 7 -16.560 4.350 5.052 1.00 1.00 H new ATOM 0 HG12 VAL A 7 -17.579 3.267 6.030 1.00 1.00 H new ATOM 0 HG13 VAL A 7 -16.357 2.586 4.931 1.00 1.00 H new ATOM 0 HG21 VAL A 7 -16.873 4.588 2.686 1.00 1.00 H new ATOM 0 HG22 VAL A 7 -16.675 2.840 2.417 1.00 1.00 H new ATOM 0 HG23 VAL A 7 -18.123 3.676 1.806 1.00 1.00 H new ATOM 106 N PRO A 8 -21.047 2.584 2.858 1.00 1.00 N ATOM 107 CA PRO A 8 -21.921 2.748 1.714 1.00 1.00 C ATOM 108 C PRO A 8 -21.219 3.589 0.656 1.00 1.00 C ATOM 109 O PRO A 8 -20.552 4.578 0.983 1.00 1.00 O ATOM 110 CB PRO A 8 -23.170 3.471 2.214 1.00 1.00 C ATOM 111 CG PRO A 8 -23.087 3.351 3.734 1.00 1.00 C ATOM 112 CD PRO A 8 -21.587 3.296 4.001 1.00 1.00 C ATOM 0 HA PRO A 8 -22.180 1.787 1.269 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -23.181 4.514 1.897 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -24.079 3.010 1.827 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -23.553 4.202 4.231 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -23.593 2.455 4.095 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -21.161 4.296 4.085 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -21.367 2.776 4.934 1.00 1.00 H new ATOM 120 N ASP A 9 -21.455 3.242 -0.606 1.00 1.00 N ATOM 121 CA ASP A 9 -20.893 3.897 -1.781 1.00 1.00 C ATOM 122 C ASP A 9 -19.399 4.140 -1.597 1.00 1.00 C ATOM 123 O ASP A 9 -18.917 5.275 -1.509 1.00 1.00 O ATOM 124 CB ASP A 9 -21.659 5.183 -2.037 1.00 1.00 C ATOM 125 CG ASP A 9 -21.402 5.817 -3.393 1.00 1.00 C ATOM 126 OD1 ASP A 9 -20.549 5.374 -4.196 1.00 1.00 O ATOM 127 OD2 ASP A 9 -22.073 6.842 -3.636 1.00 1.00 O ATOM 0 H ASP A 9 -22.069 2.464 -0.847 1.00 1.00 H new ATOM 0 HA ASP A 9 -20.997 3.255 -2.655 1.00 1.00 H new ATOM 0 HB2 ASP A 9 -22.726 4.979 -1.943 1.00 1.00 H new ATOM 0 HB3 ASP A 9 -21.402 5.903 -1.260 1.00 1.00 H new ATOM 132 N GLN A 10 -18.668 3.032 -1.500 1.00 1.00 N ATOM 133 CA GLN A 10 -17.219 3.029 -1.398 1.00 1.00 C ATOM 134 C GLN A 10 -16.580 3.964 -2.426 1.00 1.00 C ATOM 135 O GLN A 10 -15.625 4.655 -2.084 1.00 1.00 O ATOM 136 CB GLN A 10 -16.661 1.611 -1.571 1.00 1.00 C ATOM 137 CG GLN A 10 -16.999 0.677 -0.400 1.00 1.00 C ATOM 138 CD GLN A 10 -16.197 -0.620 -0.478 1.00 1.00 C ATOM 139 OE1 GLN A 10 -14.971 -0.598 -0.439 1.00 1.00 O ATOM 140 NE2 GLN A 10 -16.843 -1.764 -0.615 1.00 1.00 N ATOM 0 H GLN A 10 -19.077 2.098 -1.490 1.00 1.00 H new ATOM 0 HA GLN A 10 -16.967 3.392 -0.401 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -17.055 1.183 -2.493 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -15.578 1.665 -1.682 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -16.789 1.181 0.543 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -18.065 0.449 -0.409 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -17.862 -1.773 -0.646 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -16.322 -2.638 -0.689 1.00 1.00 H new ATOM 149 N ARG A 11 -17.085 4.035 -3.662 1.00 1.00 N ATOM 150 CA ARG A 11 -16.518 4.944 -4.660 1.00 1.00 C ATOM 151 C ARG A 11 -16.705 6.401 -4.249 1.00 1.00 C ATOM 152 O ARG A 11 -15.753 7.175 -4.357 1.00 1.00 O ATOM 153 CB ARG A 11 -17.091 4.690 -6.065 1.00 1.00 C ATOM 154 CG ARG A 11 -16.284 5.443 -7.144 1.00 1.00 C ATOM 155 CD ARG A 11 -14.916 4.792 -7.403 1.00 1.00 C ATOM 156 NE ARG A 11 -15.033 3.722 -8.402 1.00 1.00 N ATOM 157 CZ ARG A 11 -14.741 3.787 -9.706 1.00 1.00 C ATOM 158 NH1 ARG A 11 -14.204 4.883 -10.235 1.00 1.00 N ATOM 159 NH2 ARG A 11 -14.985 2.734 -10.474 1.00 1.00 N ATOM 0 H ARG A 11 -17.875 3.481 -3.991 1.00 1.00 H new ATOM 0 HA ARG A 11 -15.448 4.739 -4.706 1.00 1.00 H new ATOM 0 HB2 ARG A 11 -17.078 3.621 -6.278 1.00 1.00 H new ATOM 0 HB3 ARG A 11 -18.133 5.009 -6.098 1.00 1.00 H new ATOM 0 HG2 ARG A 11 -16.855 5.467 -8.072 1.00 1.00 H new ATOM 0 HG3 ARG A 11 -16.139 6.477 -6.832 1.00 1.00 H new ATOM 0 HD2 ARG A 11 -14.209 5.545 -7.750 1.00 1.00 H new ATOM 0 HD3 ARG A 11 -14.518 4.386 -6.473 1.00 1.00 H new ATOM 0 HE ARG A 11 -15.377 2.824 -8.062 1.00 1.00 H new ATOM 0 HH11 ARG A 11 -14.008 5.691 -9.644 1.00 1.00 H new ATOM 0 HH12 ARG A 11 -13.988 4.915 -11.231 1.00 1.00 H new ATOM 0 HH21 ARG A 11 -15.390 1.890 -10.069 1.00 1.00 H new ATOM 0 HH22 ARG A 11 -14.768 2.768 -11.470 1.00 1.00 H new ATOM 173 N SER A 12 -17.884 6.796 -3.766 1.00 1.00 N ATOM 174 CA SER A 12 -18.043 8.161 -3.280 1.00 1.00 C ATOM 175 C SER A 12 -17.116 8.379 -2.091 1.00 1.00 C ATOM 176 O SER A 12 -16.497 9.437 -2.001 1.00 1.00 O ATOM 177 CB SER A 12 -19.507 8.430 -2.916 1.00 1.00 C ATOM 178 OG SER A 12 -19.712 9.722 -2.376 1.00 1.00 O ATOM 0 H SER A 12 -18.716 6.210 -3.703 1.00 1.00 H new ATOM 0 HA SER A 12 -17.771 8.868 -4.064 1.00 1.00 H new ATOM 0 HB2 SER A 12 -20.125 8.312 -3.806 1.00 1.00 H new ATOM 0 HB3 SER A 12 -19.840 7.683 -2.195 1.00 1.00 H new ATOM 0 HG SER A 12 -20.661 9.841 -2.163 1.00 1.00 H new ATOM 184 N LYS A 13 -16.971 7.423 -1.170 1.00 1.00 N ATOM 185 CA LYS A 13 -16.085 7.653 -0.037 1.00 1.00 C ATOM 186 C LYS A 13 -14.618 7.678 -0.457 1.00 1.00 C ATOM 187 O LYS A 13 -13.871 8.438 0.143 1.00 1.00 O ATOM 188 CB LYS A 13 -16.360 6.662 1.087 1.00 1.00 C ATOM 189 CG LYS A 13 -15.873 7.215 2.440 1.00 1.00 C ATOM 190 CD LYS A 13 -16.871 8.227 3.021 1.00 1.00 C ATOM 191 CE LYS A 13 -16.146 9.227 3.922 1.00 1.00 C ATOM 192 NZ LYS A 13 -17.089 10.157 4.559 1.00 1.00 N ATOM 0 H LYS A 13 -17.438 6.516 -1.186 1.00 1.00 H new ATOM 0 HA LYS A 13 -16.301 8.646 0.358 1.00 1.00 H new ATOM 0 HB2 LYS A 13 -17.428 6.452 1.139 1.00 1.00 H new ATOM 0 HB3 LYS A 13 -15.860 5.717 0.875 1.00 1.00 H new ATOM 0 HG2 LYS A 13 -15.735 6.393 3.143 1.00 1.00 H new ATOM 0 HG3 LYS A 13 -14.901 7.692 2.312 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -17.377 8.755 2.213 1.00 1.00 H new ATOM 0 HD3 LYS A 13 -17.640 7.705 3.590 1.00 1.00 H new ATOM 0 HE2 LYS A 13 -15.588 8.690 4.689 1.00 1.00 H new ATOM 0 HE3 LYS A 13 -15.420 9.789 3.334 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 -16.566 10.822 5.163 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 -17.603 10.686 3.826 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 -17.766 9.622 5.139 1.00 1.00 H new ATOM 206 N PHE A 14 -14.201 6.942 -1.487 1.00 1.00 N ATOM 207 CA PHE A 14 -12.868 7.051 -2.072 1.00 1.00 C ATOM 208 C PHE A 14 -12.599 8.495 -2.467 1.00 1.00 C ATOM 209 O PHE A 14 -11.538 9.029 -2.144 1.00 1.00 O ATOM 210 CB PHE A 14 -12.730 6.091 -3.266 1.00 1.00 C ATOM 211 CG PHE A 14 -11.575 6.367 -4.213 1.00 1.00 C ATOM 212 CD1 PHE A 14 -10.265 6.492 -3.719 1.00 1.00 C ATOM 213 CD2 PHE A 14 -11.808 6.490 -5.595 1.00 1.00 C ATOM 214 CE1 PHE A 14 -9.188 6.689 -4.601 1.00 1.00 C ATOM 215 CE2 PHE A 14 -10.735 6.704 -6.476 1.00 1.00 C ATOM 216 CZ PHE A 14 -9.422 6.795 -5.983 1.00 1.00 C ATOM 0 H PHE A 14 -14.789 6.244 -1.943 1.00 1.00 H new ATOM 0 HA PHE A 14 -12.119 6.761 -1.336 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -12.623 5.077 -2.881 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -13.657 6.119 -3.838 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -10.085 6.436 -2.656 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -12.815 6.420 -5.980 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -8.181 6.759 -4.217 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -10.920 6.799 -7.536 1.00 1.00 H new ATOM 0 HZ PHE A 14 -8.597 6.946 -6.663 1.00 1.00 H new ATOM 226 N GLU A 15 -13.557 9.146 -3.123 1.00 1.00 N ATOM 227 CA GLU A 15 -13.386 10.537 -3.484 1.00 1.00 C ATOM 228 C GLU A 15 -13.491 11.450 -2.249 1.00 1.00 C ATOM 229 O GLU A 15 -12.800 12.467 -2.190 1.00 1.00 O ATOM 230 CB GLU A 15 -14.314 10.901 -4.662 1.00 1.00 C ATOM 231 CG GLU A 15 -15.607 11.660 -4.340 1.00 1.00 C ATOM 232 CD GLU A 15 -16.294 12.275 -5.564 1.00 1.00 C ATOM 233 OE1 GLU A 15 -15.741 12.256 -6.689 1.00 1.00 O ATOM 234 OE2 GLU A 15 -17.406 12.817 -5.386 1.00 1.00 O ATOM 0 H GLU A 15 -14.445 8.733 -3.409 1.00 1.00 H new ATOM 0 HA GLU A 15 -12.375 10.707 -3.854 1.00 1.00 H new ATOM 0 HB2 GLU A 15 -13.740 11.500 -5.369 1.00 1.00 H new ATOM 0 HB3 GLU A 15 -14.585 9.978 -5.174 1.00 1.00 H new ATOM 0 HG2 GLU A 15 -16.303 10.979 -3.850 1.00 1.00 H new ATOM 0 HG3 GLU A 15 -15.382 12.453 -3.627 1.00 1.00 H new ATOM 241 N ASN A 16 -14.367 11.148 -1.284 1.00 1.00 N ATOM 242 CA ASN A 16 -14.752 12.046 -0.207 1.00 1.00 C ATOM 243 C ASN A 16 -13.853 12.021 1.019 1.00 1.00 C ATOM 244 O ASN A 16 -13.762 13.060 1.674 1.00 1.00 O ATOM 245 CB ASN A 16 -16.202 11.789 0.203 1.00 1.00 C ATOM 246 CG ASN A 16 -17.151 12.603 -0.657 1.00 1.00 C ATOM 247 OD1 ASN A 16 -17.402 13.771 -0.385 1.00 1.00 O ATOM 248 ND2 ASN A 16 -17.640 12.039 -1.740 1.00 1.00 N ATOM 0 H ASN A 16 -14.837 10.244 -1.236 1.00 1.00 H new ATOM 0 HA ASN A 16 -14.637 13.047 -0.624 1.00 1.00 H new ATOM 0 HB2 ASN A 16 -16.431 10.728 0.104 1.00 1.00 H new ATOM 0 HB3 ASN A 16 -16.340 12.048 1.253 1.00 1.00 H new ATOM 0 HD21 ASN A 16 -18.238 12.575 -2.369 1.00 1.00 H new ATOM 0 HD22 ASN A 16 -17.421 11.065 -1.951 1.00 1.00 H new ATOM 255 N GLU A 17 -13.279 10.878 1.411 1.00 1.00 N ATOM 256 CA GLU A 17 -12.456 10.774 2.602 1.00 1.00 C ATOM 257 C GLU A 17 -11.386 11.855 2.684 1.00 1.00 C ATOM 258 O GLU A 17 -10.490 11.954 1.842 1.00 1.00 O ATOM 259 CB GLU A 17 -11.855 9.376 2.671 1.00 1.00 C ATOM 260 CG GLU A 17 -12.458 8.585 3.814 1.00 1.00 C ATOM 261 CD GLU A 17 -11.747 8.883 5.142 1.00 1.00 C ATOM 262 OE1 GLU A 17 -11.434 10.075 5.388 1.00 1.00 O ATOM 263 OE2 GLU A 17 -11.533 7.958 5.957 1.00 1.00 O ATOM 0 H GLU A 17 -13.378 10.000 0.902 1.00 1.00 H new ATOM 0 HA GLU A 17 -13.094 10.938 3.470 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -12.029 8.854 1.730 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -10.775 9.446 2.801 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -13.517 8.826 3.905 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -12.391 7.519 3.595 1.00 1.00 H new ATOM 270 N GLU A 18 -11.482 12.659 3.737 1.00 1.00 N ATOM 271 CA GLU A 18 -10.534 13.708 4.060 1.00 1.00 C ATOM 272 C GLU A 18 -9.159 13.097 4.362 1.00 1.00 C ATOM 273 O GLU A 18 -8.138 13.767 4.208 1.00 1.00 O ATOM 274 CB GLU A 18 -11.112 14.515 5.237 1.00 1.00 C ATOM 275 CG GLU A 18 -10.827 16.020 5.147 1.00 1.00 C ATOM 276 CD GLU A 18 -9.431 16.455 5.592 1.00 1.00 C ATOM 277 OE1 GLU A 18 -8.859 15.889 6.553 1.00 1.00 O ATOM 278 OE2 GLU A 18 -8.955 17.505 5.108 1.00 1.00 O ATOM 0 H GLU A 18 -12.248 12.593 4.408 1.00 1.00 H new ATOM 0 HA GLU A 18 -10.383 14.387 3.221 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -12.190 14.359 5.279 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -10.698 14.130 6.169 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -10.976 16.339 4.115 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -11.563 16.548 5.753 1.00 1.00 H new ATOM 285 N PHE A 19 -9.107 11.816 4.753 1.00 1.00 N ATOM 286 CA PHE A 19 -7.885 11.029 4.808 1.00 1.00 C ATOM 287 C PHE A 19 -7.242 11.006 3.417 1.00 1.00 C ATOM 288 O PHE A 19 -6.093 11.418 3.269 1.00 1.00 O ATOM 289 CB PHE A 19 -8.213 9.638 5.375 1.00 1.00 C ATOM 290 CG PHE A 19 -7.012 8.737 5.582 1.00 1.00 C ATOM 291 CD1 PHE A 19 -6.477 8.063 4.476 1.00 1.00 C ATOM 292 CD2 PHE A 19 -6.442 8.545 6.857 1.00 1.00 C ATOM 293 CE1 PHE A 19 -5.375 7.206 4.621 1.00 1.00 C ATOM 294 CE2 PHE A 19 -5.327 7.697 7.005 1.00 1.00 C ATOM 295 CZ PHE A 19 -4.787 7.036 5.886 1.00 1.00 C ATOM 0 H PHE A 19 -9.934 11.295 5.044 1.00 1.00 H new ATOM 0 HA PHE A 19 -7.147 11.470 5.479 1.00 1.00 H new ATOM 0 HB2 PHE A 19 -8.726 9.762 6.329 1.00 1.00 H new ATOM 0 HB3 PHE A 19 -8.910 9.141 4.700 1.00 1.00 H new ATOM 0 HD1 PHE A 19 -6.918 8.205 3.500 1.00 1.00 H new ATOM 0 HD2 PHE A 19 -6.859 9.047 7.718 1.00 1.00 H new ATOM 0 HE1 PHE A 19 -4.981 6.680 3.764 1.00 1.00 H new ATOM 0 HE2 PHE A 19 -4.885 7.554 7.980 1.00 1.00 H new ATOM 0 HZ PHE A 19 -3.922 6.399 5.999 1.00 1.00 H new ATOM 305 N PHE A 20 -7.962 10.571 2.376 1.00 1.00 N ATOM 306 CA PHE A 20 -7.393 10.493 1.038 1.00 1.00 C ATOM 307 C PHE A 20 -7.117 11.867 0.439 1.00 1.00 C ATOM 308 O PHE A 20 -6.151 11.985 -0.305 1.00 1.00 O ATOM 309 CB PHE A 20 -8.306 9.689 0.113 1.00 1.00 C ATOM 310 CG PHE A 20 -8.710 8.314 0.613 1.00 1.00 C ATOM 311 CD1 PHE A 20 -7.784 7.416 1.177 1.00 1.00 C ATOM 312 CD2 PHE A 20 -10.054 7.935 0.517 1.00 1.00 C ATOM 313 CE1 PHE A 20 -8.205 6.158 1.639 1.00 1.00 C ATOM 314 CE2 PHE A 20 -10.484 6.684 0.982 1.00 1.00 C ATOM 315 CZ PHE A 20 -9.558 5.792 1.540 1.00 1.00 C ATOM 0 H PHE A 20 -8.935 10.270 2.440 1.00 1.00 H new ATOM 0 HA PHE A 20 -6.434 9.983 1.132 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -9.211 10.269 -0.067 1.00 1.00 H new ATOM 0 HB3 PHE A 20 -7.806 9.572 -0.848 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -6.744 7.696 1.255 1.00 1.00 H new ATOM 0 HD2 PHE A 20 -10.769 8.615 0.079 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -7.490 5.473 2.070 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -11.526 6.409 0.910 1.00 1.00 H new ATOM 0 HZ PHE A 20 -9.884 4.825 1.893 1.00 1.00 H new ATOM 325 N ARG A 21 -7.868 12.924 0.770 1.00 1.00 N ATOM 326 CA ARG A 21 -7.588 14.259 0.219 1.00 1.00 C ATOM 327 C ARG A 21 -6.191 14.738 0.587 1.00 1.00 C ATOM 328 O ARG A 21 -5.519 15.361 -0.236 1.00 1.00 O ATOM 329 CB ARG A 21 -8.621 15.290 0.716 1.00 1.00 C ATOM 330 CG ARG A 21 -10.057 15.061 0.229 1.00 1.00 C ATOM 331 CD ARG A 21 -10.199 15.376 -1.260 1.00 1.00 C ATOM 332 NE ARG A 21 -11.522 14.979 -1.757 1.00 1.00 N ATOM 333 CZ ARG A 21 -12.589 15.735 -2.032 1.00 1.00 C ATOM 334 NH1 ARG A 21 -12.570 17.057 -1.888 1.00 1.00 N ATOM 335 NH2 ARG A 21 -13.688 15.127 -2.456 1.00 1.00 N ATOM 0 H ARG A 21 -8.664 12.885 1.407 1.00 1.00 H new ATOM 0 HA ARG A 21 -7.654 14.171 -0.865 1.00 1.00 H new ATOM 0 HB2 ARG A 21 -8.619 15.286 1.806 1.00 1.00 H new ATOM 0 HB3 ARG A 21 -8.301 16.283 0.400 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -10.344 14.026 0.412 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -10.741 15.687 0.802 1.00 1.00 H new ATOM 0 HD2 ARG A 21 -10.049 16.443 -1.426 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -9.424 14.854 -1.821 1.00 1.00 H new ATOM 0 HE ARG A 21 -11.645 13.979 -1.916 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -11.724 17.522 -1.559 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -13.402 17.606 -2.107 1.00 1.00 H new ATOM 0 HH21 ARG A 21 -13.701 14.113 -2.563 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -14.521 15.673 -2.675 1.00 1.00 H new ATOM 349 N LYS A 22 -5.739 14.417 1.798 1.00 1.00 N ATOM 350 CA LYS A 22 -4.411 14.737 2.277 1.00 1.00 C ATOM 351 C LYS A 22 -3.344 13.941 1.525 1.00 1.00 C ATOM 352 O LYS A 22 -2.241 14.458 1.336 1.00 1.00 O ATOM 353 CB LYS A 22 -4.406 14.472 3.794 1.00 1.00 C ATOM 354 CG LYS A 22 -4.879 15.732 4.543 1.00 1.00 C ATOM 355 CD LYS A 22 -5.012 15.484 6.050 1.00 1.00 C ATOM 356 CE LYS A 22 -5.288 16.758 6.863 1.00 1.00 C ATOM 357 NZ LYS A 22 -6.512 17.471 6.441 1.00 1.00 N ATOM 0 H LYS A 22 -6.305 13.916 2.483 1.00 1.00 H new ATOM 0 HA LYS A 22 -4.164 15.782 2.091 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -5.059 13.631 4.028 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -3.403 14.197 4.122 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -4.173 16.544 4.369 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -5.840 16.054 4.142 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -5.819 14.772 6.222 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -4.095 15.022 6.416 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -5.375 16.495 7.917 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -4.435 17.430 6.771 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -6.559 18.393 6.920 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -6.492 17.616 5.411 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -7.348 16.906 6.694 1.00 1.00 H new ATOM 371 N LEU A 23 -3.631 12.703 1.114 1.00 1.00 N ATOM 372 CA LEU A 23 -2.729 11.878 0.315 1.00 1.00 C ATOM 373 C LEU A 23 -2.734 12.335 -1.135 1.00 1.00 C ATOM 374 O LEU A 23 -1.708 12.242 -1.799 1.00 1.00 O ATOM 375 CB LEU A 23 -3.170 10.404 0.380 1.00 1.00 C ATOM 376 CG LEU A 23 -3.195 9.839 1.811 1.00 1.00 C ATOM 377 CD1 LEU A 23 -3.457 8.336 1.798 1.00 1.00 C ATOM 378 CD2 LEU A 23 -1.888 10.161 2.530 1.00 1.00 C ATOM 0 H LEU A 23 -4.513 12.240 1.333 1.00 1.00 H new ATOM 0 HA LEU A 23 -1.722 11.980 0.719 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -4.164 10.310 -0.058 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -2.495 9.803 -0.229 1.00 1.00 H new ATOM 0 HG LEU A 23 -4.012 10.313 2.355 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -3.470 7.960 2.821 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -4.420 8.139 1.327 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -2.669 7.834 1.237 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -1.920 9.755 3.541 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -1.055 9.716 1.986 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -1.755 11.242 2.577 1.00 1.00 H new ATOM 390 N SER A 24 -3.877 12.828 -1.620 1.00 1.00 N ATOM 391 CA SER A 24 -4.089 13.127 -3.017 1.00 1.00 C ATOM 392 C SER A 24 -3.815 11.894 -3.907 1.00 1.00 C ATOM 393 O SER A 24 -4.139 10.758 -3.539 1.00 1.00 O ATOM 394 CB SER A 24 -3.297 14.399 -3.370 1.00 1.00 C ATOM 395 OG SER A 24 -3.809 14.965 -4.559 1.00 1.00 O ATOM 0 H SER A 24 -4.687 13.030 -1.034 1.00 1.00 H new ATOM 0 HA SER A 24 -5.137 13.350 -3.219 1.00 1.00 H new ATOM 0 HB2 SER A 24 -3.365 15.119 -2.555 1.00 1.00 H new ATOM 0 HB3 SER A 24 -2.241 14.158 -3.496 1.00 1.00 H new ATOM 0 HG SER A 24 -3.304 15.775 -4.780 1.00 1.00 H new ATOM 401 N ARG A 25 -3.304 12.130 -5.117 1.00 1.00 N ATOM 402 CA ARG A 25 -2.752 11.163 -6.052 1.00 1.00 C ATOM 403 C ARG A 25 -1.273 11.502 -6.298 1.00 1.00 C ATOM 404 O ARG A 25 -0.711 12.291 -5.543 1.00 1.00 O ATOM 405 CB ARG A 25 -3.618 11.054 -7.322 1.00 1.00 C ATOM 406 CG ARG A 25 -4.933 10.317 -7.029 1.00 1.00 C ATOM 407 CD ARG A 25 -5.628 9.825 -8.302 1.00 1.00 C ATOM 408 NE ARG A 25 -6.058 10.935 -9.164 1.00 1.00 N ATOM 409 CZ ARG A 25 -6.511 10.817 -10.415 1.00 1.00 C ATOM 410 NH1 ARG A 25 -6.574 9.623 -10.991 1.00 1.00 N ATOM 411 NH2 ARG A 25 -6.912 11.889 -11.087 1.00 1.00 N ATOM 0 H ARG A 25 -3.265 13.078 -5.492 1.00 1.00 H new ATOM 0 HA ARG A 25 -2.777 10.158 -5.631 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -3.833 12.051 -7.706 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -3.066 10.525 -8.099 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -4.731 9.467 -6.378 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -5.605 10.982 -6.486 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -4.949 9.178 -8.857 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -6.494 9.221 -8.031 1.00 1.00 H new ATOM 0 HE ARG A 25 -6.006 11.876 -8.774 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -6.276 8.793 -10.478 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -6.920 9.535 -11.946 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -6.875 12.809 -10.648 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -7.257 11.793 -12.042 1.00 1.00 H new ATOM 425 N GLU A 26 -0.640 10.846 -7.280 1.00 1.00 N ATOM 426 CA GLU A 26 0.805 10.650 -7.462 1.00 1.00 C ATOM 427 C GLU A 26 1.644 11.827 -6.991 1.00 1.00 C ATOM 428 O GLU A 26 1.752 12.858 -7.664 1.00 1.00 O ATOM 429 CB GLU A 26 1.189 10.124 -8.859 1.00 1.00 C ATOM 430 CG GLU A 26 0.317 10.571 -10.039 1.00 1.00 C ATOM 431 CD GLU A 26 -1.079 9.932 -10.091 1.00 1.00 C ATOM 432 OE1 GLU A 26 -1.417 9.036 -9.279 1.00 1.00 O ATOM 433 OE2 GLU A 26 -1.884 10.374 -10.944 1.00 1.00 O ATOM 0 H GLU A 26 -1.170 10.402 -8.030 1.00 1.00 H new ATOM 0 HA GLU A 26 1.066 9.838 -6.784 1.00 1.00 H new ATOM 0 HB2 GLU A 26 2.216 10.427 -9.064 1.00 1.00 H new ATOM 0 HB3 GLU A 26 1.179 9.035 -8.825 1.00 1.00 H new ATOM 0 HG2 GLU A 26 0.203 11.654 -9.998 1.00 1.00 H new ATOM 0 HG3 GLU A 26 0.841 10.340 -10.967 1.00 1.00 H new ATOM 440 N CYS A 27 2.232 11.636 -5.811 1.00 1.00 N ATOM 441 CA CYS A 27 3.188 12.511 -5.170 1.00 1.00 C ATOM 442 C CYS A 27 4.257 11.665 -4.480 1.00 1.00 C ATOM 443 O CYS A 27 4.293 10.440 -4.576 1.00 1.00 O ATOM 444 CB CYS A 27 2.484 13.493 -4.216 1.00 1.00 C ATOM 445 SG CYS A 27 1.394 12.650 -3.038 1.00 1.00 S ATOM 0 H CYS A 27 2.034 10.809 -5.248 1.00 1.00 H new ATOM 0 HA CYS A 27 3.686 13.130 -5.916 1.00 1.00 H new ATOM 0 HB2 CYS A 27 3.234 14.064 -3.669 1.00 1.00 H new ATOM 0 HB3 CYS A 27 1.902 14.207 -4.799 1.00 1.00 H new ATOM 0 HG CYS A 27 0.304 12.282 -3.643 1.00 1.00 H new ATOM 451 N GLU A 28 5.195 12.351 -3.858 1.00 1.00 N ATOM 452 CA GLU A 28 6.391 11.769 -3.280 1.00 1.00 C ATOM 453 C GLU A 28 6.080 11.140 -1.911 1.00 1.00 C ATOM 454 O GLU A 28 5.223 11.628 -1.162 1.00 1.00 O ATOM 455 CB GLU A 28 7.404 12.914 -3.266 1.00 1.00 C ATOM 456 CG GLU A 28 8.869 12.563 -3.017 1.00 1.00 C ATOM 457 CD GLU A 28 9.792 13.751 -3.329 1.00 1.00 C ATOM 458 OE1 GLU A 28 9.434 14.652 -4.131 1.00 1.00 O ATOM 459 OE2 GLU A 28 10.924 13.781 -2.799 1.00 1.00 O ATOM 0 H GLU A 28 5.144 13.363 -3.737 1.00 1.00 H new ATOM 0 HA GLU A 28 6.802 10.932 -3.845 1.00 1.00 H new ATOM 0 HB2 GLU A 28 7.341 13.429 -4.224 1.00 1.00 H new ATOM 0 HB3 GLU A 28 7.095 13.626 -2.501 1.00 1.00 H new ATOM 0 HG2 GLU A 28 9.001 12.261 -1.978 1.00 1.00 H new ATOM 0 HG3 GLU A 28 9.150 11.710 -3.635 1.00 1.00 H new ATOM 466 N ILE A 29 6.770 10.050 -1.572 1.00 1.00 N ATOM 467 CA ILE A 29 6.550 9.219 -0.384 1.00 1.00 C ATOM 468 C ILE A 29 7.890 8.861 0.251 1.00 1.00 C ATOM 469 O ILE A 29 8.938 8.945 -0.387 1.00 1.00 O ATOM 470 CB ILE A 29 5.784 7.916 -0.723 1.00 1.00 C ATOM 471 CG1 ILE A 29 6.518 7.176 -1.855 1.00 1.00 C ATOM 472 CG2 ILE A 29 4.304 8.191 -1.042 1.00 1.00 C ATOM 473 CD1 ILE A 29 6.043 5.756 -2.129 1.00 1.00 C ATOM 0 H ILE A 29 7.538 9.704 -2.148 1.00 1.00 H new ATOM 0 HA ILE A 29 5.943 9.798 0.312 1.00 1.00 H new ATOM 0 HB ILE A 29 5.772 7.265 0.151 1.00 1.00 H new ATOM 0 HG12 ILE A 29 6.415 7.757 -2.771 1.00 1.00 H new ATOM 0 HG13 ILE A 29 7.581 7.144 -1.615 1.00 1.00 H new ATOM 0 HG21 ILE A 29 3.801 7.252 -1.275 1.00 1.00 H new ATOM 0 HG22 ILE A 29 3.826 8.655 -0.179 1.00 1.00 H new ATOM 0 HG23 ILE A 29 4.235 8.861 -1.899 1.00 1.00 H new ATOM 0 HD11 ILE A 29 6.627 5.328 -2.944 1.00 1.00 H new ATOM 0 HD12 ILE A 29 6.173 5.150 -1.233 1.00 1.00 H new ATOM 0 HD13 ILE A 29 4.989 5.772 -2.407 1.00 1.00 H new ATOM 485 N LYS A 30 7.844 8.405 1.502 1.00 1.00 N ATOM 486 CA LYS A 30 9.039 7.906 2.196 1.00 1.00 C ATOM 487 C LYS A 30 8.678 6.866 3.250 1.00 1.00 C ATOM 488 O LYS A 30 7.558 6.858 3.754 1.00 1.00 O ATOM 489 CB LYS A 30 9.809 9.113 2.755 1.00 1.00 C ATOM 490 CG LYS A 30 11.169 8.782 3.395 1.00 1.00 C ATOM 491 CD LYS A 30 12.151 9.966 3.326 1.00 1.00 C ATOM 492 CE LYS A 30 11.504 11.288 3.763 1.00 1.00 C ATOM 493 NZ LYS A 30 12.363 12.460 3.519 1.00 1.00 N ATOM 0 H LYS A 30 6.991 8.369 2.060 1.00 1.00 H new ATOM 0 HA LYS A 30 9.693 7.379 1.502 1.00 1.00 H new ATOM 0 HB2 LYS A 30 9.970 9.827 1.947 1.00 1.00 H new ATOM 0 HB3 LYS A 30 9.186 9.608 3.500 1.00 1.00 H new ATOM 0 HG2 LYS A 30 11.018 8.498 4.437 1.00 1.00 H new ATOM 0 HG3 LYS A 30 11.606 7.921 2.890 1.00 1.00 H new ATOM 0 HD2 LYS A 30 13.012 9.758 3.961 1.00 1.00 H new ATOM 0 HD3 LYS A 30 12.524 10.066 2.307 1.00 1.00 H new ATOM 0 HE2 LYS A 30 10.562 11.418 3.230 1.00 1.00 H new ATOM 0 HE3 LYS A 30 11.265 11.235 4.825 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 11.873 13.321 3.834 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 13.252 12.355 4.048 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 12.571 12.532 2.503 1.00 1.00 H new ATOM 507 N TYR A 31 9.595 5.960 3.577 1.00 1.00 N ATOM 508 CA TYR A 31 9.337 4.898 4.534 1.00 1.00 C ATOM 509 C TYR A 31 9.193 5.471 5.939 1.00 1.00 C ATOM 510 O TYR A 31 9.909 6.407 6.307 1.00 1.00 O ATOM 511 CB TYR A 31 10.517 3.914 4.556 1.00 1.00 C ATOM 512 CG TYR A 31 10.021 2.543 4.207 1.00 1.00 C ATOM 513 CD1 TYR A 31 9.623 2.311 2.884 1.00 1.00 C ATOM 514 CD2 TYR A 31 9.730 1.617 5.224 1.00 1.00 C ATOM 515 CE1 TYR A 31 8.845 1.187 2.597 1.00 1.00 C ATOM 516 CE2 TYR A 31 8.965 0.476 4.931 1.00 1.00 C ATOM 517 CZ TYR A 31 8.517 0.264 3.608 1.00 1.00 C ATOM 518 OH TYR A 31 7.759 -0.813 3.284 1.00 1.00 O ATOM 0 H TYR A 31 10.536 5.945 3.184 1.00 1.00 H new ATOM 0 HA TYR A 31 8.418 4.394 4.235 1.00 1.00 H new ATOM 0 HB2 TYR A 31 11.282 4.229 3.846 1.00 1.00 H new ATOM 0 HB3 TYR A 31 10.981 3.906 5.542 1.00 1.00 H new ATOM 0 HD1 TYR A 31 9.914 2.991 2.097 1.00 1.00 H new ATOM 0 HD2 TYR A 31 10.094 1.782 6.227 1.00 1.00 H new ATOM 0 HE1 TYR A 31 8.492 1.024 1.589 1.00 1.00 H new ATOM 0 HE2 TYR A 31 8.722 -0.232 5.709 1.00 1.00 H new ATOM 0 HH TYR A 31 8.285 -1.429 2.733 1.00 1.00 H new ATOM 528 N THR A 32 8.405 4.795 6.773 1.00 1.00 N ATOM 529 CA THR A 32 8.473 4.951 8.220 1.00 1.00 C ATOM 530 C THR A 32 8.363 3.600 8.952 1.00 1.00 C ATOM 531 O THR A 32 8.284 3.579 10.180 1.00 1.00 O ATOM 532 CB THR A 32 7.520 6.076 8.662 1.00 1.00 C ATOM 533 OG1 THR A 32 7.709 6.405 10.024 1.00 1.00 O ATOM 534 CG2 THR A 32 6.041 5.814 8.408 1.00 1.00 C ATOM 0 H THR A 32 7.702 4.124 6.462 1.00 1.00 H new ATOM 0 HA THR A 32 9.461 5.290 8.529 1.00 1.00 H new ATOM 0 HB THR A 32 7.793 6.916 8.023 1.00 1.00 H new ATOM 0 HG1 THR A 32 7.971 5.602 10.521 1.00 1.00 H new ATOM 0 HG21 THR A 32 5.456 6.666 8.755 1.00 1.00 H new ATOM 0 HG22 THR A 32 5.875 5.670 7.340 1.00 1.00 H new ATOM 0 HG23 THR A 32 5.732 4.918 8.947 1.00 1.00 H new ATOM 542 N GLY A 33 8.423 2.471 8.232 1.00 1.00 N ATOM 543 CA GLY A 33 8.786 1.153 8.743 1.00 1.00 C ATOM 544 C GLY A 33 10.234 1.146 9.221 1.00 1.00 C ATOM 545 O GLY A 33 10.810 2.201 9.491 1.00 1.00 O ATOM 0 H GLY A 33 8.210 2.457 7.235 1.00 1.00 H new ATOM 0 HA2 GLY A 33 8.124 0.880 9.565 1.00 1.00 H new ATOM 0 HA3 GLY A 33 8.651 0.404 7.963 1.00 1.00 H new ATOM 549 N PHE A 34 10.826 -0.041 9.358 1.00 1.00 N ATOM 550 CA PHE A 34 12.148 -0.205 9.933 1.00 1.00 C ATOM 551 C PHE A 34 13.189 0.543 9.087 1.00 1.00 C ATOM 552 O PHE A 34 13.646 1.612 9.485 1.00 1.00 O ATOM 553 CB PHE A 34 12.412 -1.712 10.118 1.00 1.00 C ATOM 554 CG PHE A 34 13.856 -2.137 10.057 1.00 1.00 C ATOM 555 CD1 PHE A 34 14.727 -1.924 11.138 1.00 1.00 C ATOM 556 CD2 PHE A 34 14.325 -2.710 8.866 1.00 1.00 C ATOM 557 CE1 PHE A 34 16.071 -2.312 11.031 1.00 1.00 C ATOM 558 CE2 PHE A 34 15.687 -3.032 8.735 1.00 1.00 C ATOM 559 CZ PHE A 34 16.550 -2.858 9.829 1.00 1.00 C ATOM 0 H PHE A 34 10.393 -0.918 9.069 1.00 1.00 H new ATOM 0 HA PHE A 34 12.222 0.247 10.922 1.00 1.00 H new ATOM 0 HB2 PHE A 34 12.003 -2.018 11.081 1.00 1.00 H new ATOM 0 HB3 PHE A 34 11.860 -2.255 9.351 1.00 1.00 H new ATOM 0 HD1 PHE A 34 14.365 -1.465 12.046 1.00 1.00 H new ATOM 0 HD2 PHE A 34 13.642 -2.903 8.052 1.00 1.00 H new ATOM 0 HE1 PHE A 34 16.737 -2.191 11.873 1.00 1.00 H new ATOM 0 HE2 PHE A 34 16.068 -3.411 7.798 1.00 1.00 H new ATOM 0 HZ PHE A 34 17.588 -3.146 9.746 1.00 1.00 H new ATOM 569 N ARG A 35 13.585 -0.022 7.940 1.00 1.00 N ATOM 570 CA ARG A 35 14.752 0.321 7.117 1.00 1.00 C ATOM 571 C ARG A 35 15.986 0.790 7.888 1.00 1.00 C ATOM 572 O ARG A 35 16.787 1.530 7.354 1.00 1.00 O ATOM 573 CB ARG A 35 14.356 1.231 5.948 1.00 1.00 C ATOM 574 CG ARG A 35 13.448 2.434 6.235 1.00 1.00 C ATOM 575 CD ARG A 35 14.203 3.583 6.898 1.00 1.00 C ATOM 576 NE ARG A 35 13.302 4.710 7.176 1.00 1.00 N ATOM 577 CZ ARG A 35 12.800 5.064 8.364 1.00 1.00 C ATOM 578 NH1 ARG A 35 13.083 4.400 9.479 1.00 1.00 N ATOM 579 NH2 ARG A 35 11.996 6.113 8.421 1.00 1.00 N ATOM 0 H ARG A 35 13.056 -0.792 7.531 1.00 1.00 H new ATOM 0 HA ARG A 35 15.099 -0.620 6.690 1.00 1.00 H new ATOM 0 HB2 ARG A 35 15.273 1.608 5.495 1.00 1.00 H new ATOM 0 HB3 ARG A 35 13.861 0.613 5.199 1.00 1.00 H new ATOM 0 HG2 ARG A 35 13.005 2.783 5.302 1.00 1.00 H new ATOM 0 HG3 ARG A 35 12.627 2.121 6.880 1.00 1.00 H new ATOM 0 HD2 ARG A 35 14.657 3.237 7.827 1.00 1.00 H new ATOM 0 HD3 ARG A 35 15.015 3.912 6.250 1.00 1.00 H new ATOM 0 HE ARG A 35 13.030 5.284 6.378 1.00 1.00 H new ATOM 0 HH11 ARG A 35 13.702 3.590 9.447 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.681 4.700 10.367 1.00 1.00 H new ATOM 0 HH21 ARG A 35 11.772 6.631 7.571 1.00 1.00 H new ATOM 0 HH22 ARG A 35 11.600 6.404 9.315 1.00 1.00 H new ATOM 593 N ASP A 36 16.152 0.374 9.129 1.00 1.00 N ATOM 594 CA ASP A 36 17.076 0.989 10.097 1.00 1.00 C ATOM 595 C ASP A 36 18.535 0.553 10.066 1.00 1.00 C ATOM 596 O ASP A 36 19.368 1.195 10.701 1.00 1.00 O ATOM 597 CB ASP A 36 16.535 0.992 11.532 1.00 1.00 C ATOM 598 CG ASP A 36 16.588 2.402 12.113 1.00 1.00 C ATOM 599 OD1 ASP A 36 15.834 3.277 11.628 1.00 1.00 O ATOM 600 OD2 ASP A 36 17.396 2.628 13.040 1.00 1.00 O ATOM 0 H ASP A 36 15.641 -0.420 9.514 1.00 1.00 H new ATOM 0 HA ASP A 36 17.108 2.012 9.721 1.00 1.00 H new ATOM 0 HB2 ASP A 36 15.509 0.625 11.542 1.00 1.00 H new ATOM 0 HB3 ASP A 36 17.122 0.314 12.151 1.00 1.00 H new ATOM 605 N ARG A 37 18.887 -0.475 9.288 1.00 1.00 N ATOM 606 CA ARG A 37 20.292 -0.739 8.953 1.00 1.00 C ATOM 607 C ARG A 37 20.887 0.495 8.247 1.00 1.00 C ATOM 608 O ARG A 37 20.121 1.346 7.781 1.00 1.00 O ATOM 609 CB ARG A 37 20.371 -2.030 8.116 1.00 1.00 C ATOM 610 CG ARG A 37 20.226 -3.300 8.977 1.00 1.00 C ATOM 611 CD ARG A 37 21.527 -4.069 9.231 1.00 1.00 C ATOM 612 NE ARG A 37 22.443 -3.342 10.121 1.00 1.00 N ATOM 613 CZ ARG A 37 23.781 -3.336 10.086 1.00 1.00 C ATOM 614 NH1 ARG A 37 24.460 -4.127 9.265 1.00 1.00 N ATOM 615 NH2 ARG A 37 24.413 -2.485 10.881 1.00 1.00 N ATOM 0 H ARG A 37 18.224 -1.135 8.880 1.00 1.00 H new ATOM 0 HA ARG A 37 20.893 -0.904 9.847 1.00 1.00 H new ATOM 0 HB2 ARG A 37 19.587 -2.017 7.358 1.00 1.00 H new ATOM 0 HB3 ARG A 37 21.324 -2.059 7.588 1.00 1.00 H new ATOM 0 HG2 ARG A 37 19.795 -3.021 9.938 1.00 1.00 H new ATOM 0 HG3 ARG A 37 19.516 -3.970 8.491 1.00 1.00 H new ATOM 0 HD2 ARG A 37 21.293 -5.039 9.669 1.00 1.00 H new ATOM 0 HD3 ARG A 37 22.024 -4.260 8.280 1.00 1.00 H new ATOM 0 HE ARG A 37 22.009 -2.776 10.850 1.00 1.00 H new ATOM 0 HH11 ARG A 37 23.962 -4.760 8.639 1.00 1.00 H new ATOM 0 HH12 ARG A 37 25.480 -4.101 9.259 1.00 1.00 H new ATOM 0 HH21 ARG A 37 23.880 -1.865 11.491 1.00 1.00 H new ATOM 0 HH22 ARG A 37 25.432 -2.450 10.883 1.00 1.00 H new ATOM 629 N PRO A 38 22.219 0.642 8.139 1.00 1.00 N ATOM 630 CA PRO A 38 22.801 1.834 7.536 1.00 1.00 C ATOM 631 C PRO A 38 22.355 1.993 6.078 1.00 1.00 C ATOM 632 O PRO A 38 21.903 1.034 5.439 1.00 1.00 O ATOM 633 CB PRO A 38 24.321 1.685 7.687 1.00 1.00 C ATOM 634 CG PRO A 38 24.543 0.196 7.936 1.00 1.00 C ATOM 635 CD PRO A 38 23.261 -0.235 8.643 1.00 1.00 C ATOM 0 HA PRO A 38 22.464 2.746 8.029 1.00 1.00 H new ATOM 0 HB2 PRO A 38 24.842 2.018 6.790 1.00 1.00 H new ATOM 0 HB3 PRO A 38 24.697 2.285 8.516 1.00 1.00 H new ATOM 0 HG2 PRO A 38 24.692 -0.350 7.004 1.00 1.00 H new ATOM 0 HG3 PRO A 38 25.423 0.018 8.554 1.00 1.00 H new ATOM 0 HD2 PRO A 38 23.030 -1.279 8.432 1.00 1.00 H new ATOM 0 HD3 PRO A 38 23.361 -0.143 9.725 1.00 1.00 H new ATOM 643 N HIS A 39 22.483 3.206 5.531 1.00 1.00 N ATOM 644 CA HIS A 39 22.348 3.387 4.090 1.00 1.00 C ATOM 645 C HIS A 39 23.393 2.506 3.401 1.00 1.00 C ATOM 646 O HIS A 39 24.469 2.264 3.947 1.00 1.00 O ATOM 647 CB HIS A 39 22.445 4.865 3.691 1.00 1.00 C ATOM 648 CG HIS A 39 21.083 5.508 3.538 1.00 1.00 C ATOM 649 ND1 HIS A 39 20.068 5.539 4.473 1.00 1.00 N ATOM 650 CD2 HIS A 39 20.568 5.985 2.364 1.00 1.00 C ATOM 651 CE1 HIS A 39 18.950 5.960 3.855 1.00 1.00 C ATOM 652 NE2 HIS A 39 19.227 6.295 2.588 1.00 1.00 N ATOM 0 H HIS A 39 22.676 4.059 6.055 1.00 1.00 H new ATOM 0 HA HIS A 39 21.357 3.075 3.762 1.00 1.00 H new ATOM 0 HB2 HIS A 39 23.017 5.406 4.445 1.00 1.00 H new ATOM 0 HB3 HIS A 39 22.993 4.951 2.752 1.00 1.00 H new ATOM 0 HD1 HIS A 39 20.151 5.287 5.458 1.00 1.00 H new ATOM 0 HD2 HIS A 39 21.103 6.101 1.433 1.00 1.00 H new ATOM 0 HE1 HIS A 39 17.974 6.019 4.313 1.00 1.00 H new ATOM 660 N GLU A 40 23.008 1.956 2.253 1.00 1.00 N ATOM 661 CA GLU A 40 23.694 0.960 1.445 1.00 1.00 C ATOM 662 C GLU A 40 23.423 -0.466 1.956 1.00 1.00 C ATOM 663 O GLU A 40 23.707 -1.431 1.251 1.00 1.00 O ATOM 664 CB GLU A 40 25.182 1.313 1.247 1.00 1.00 C ATOM 665 CG GLU A 40 25.830 0.595 0.062 1.00 1.00 C ATOM 666 CD GLU A 40 25.078 0.796 -1.254 1.00 1.00 C ATOM 667 OE1 GLU A 40 24.942 1.952 -1.721 1.00 1.00 O ATOM 668 OE2 GLU A 40 24.592 -0.197 -1.837 1.00 1.00 O ATOM 0 H GLU A 40 22.121 2.225 1.826 1.00 1.00 H new ATOM 0 HA GLU A 40 23.274 0.977 0.439 1.00 1.00 H new ATOM 0 HB2 GLU A 40 25.275 2.390 1.104 1.00 1.00 H new ATOM 0 HB3 GLU A 40 25.730 1.064 2.156 1.00 1.00 H new ATOM 0 HG2 GLU A 40 26.853 0.952 -0.054 1.00 1.00 H new ATOM 0 HG3 GLU A 40 25.887 -0.471 0.280 1.00 1.00 H new ATOM 675 N GLU A 41 22.801 -0.638 3.128 1.00 1.00 N ATOM 676 CA GLU A 41 22.514 -1.946 3.725 1.00 1.00 C ATOM 677 C GLU A 41 21.007 -2.186 3.854 1.00 1.00 C ATOM 678 O GLU A 41 20.531 -3.300 3.636 1.00 1.00 O ATOM 679 CB GLU A 41 23.225 -2.019 5.088 1.00 1.00 C ATOM 680 CG GLU A 41 23.108 -3.360 5.824 1.00 1.00 C ATOM 681 CD GLU A 41 24.011 -4.457 5.264 1.00 1.00 C ATOM 682 OE1 GLU A 41 24.260 -4.512 4.039 1.00 1.00 O ATOM 683 OE2 GLU A 41 24.507 -5.281 6.062 1.00 1.00 O ATOM 0 H GLU A 41 22.477 0.143 3.698 1.00 1.00 H new ATOM 0 HA GLU A 41 22.890 -2.738 3.077 1.00 1.00 H new ATOM 0 HB2 GLU A 41 24.282 -1.797 4.939 1.00 1.00 H new ATOM 0 HB3 GLU A 41 22.823 -1.236 5.730 1.00 1.00 H new ATOM 0 HG2 GLU A 41 23.349 -3.207 6.876 1.00 1.00 H new ATOM 0 HG3 GLU A 41 22.073 -3.698 5.780 1.00 1.00 H new ATOM 690 N ARG A 42 20.234 -1.146 4.184 1.00 1.00 N ATOM 691 CA ARG A 42 18.815 -1.264 4.551 1.00 1.00 C ATOM 692 C ARG A 42 17.951 -1.846 3.432 1.00 1.00 C ATOM 693 O ARG A 42 16.876 -2.372 3.710 1.00 1.00 O ATOM 694 CB ARG A 42 18.243 0.108 4.981 1.00 1.00 C ATOM 695 CG ARG A 42 18.757 1.347 4.213 1.00 1.00 C ATOM 696 CD ARG A 42 18.201 2.685 4.730 1.00 1.00 C ATOM 697 NE ARG A 42 18.754 3.041 6.046 1.00 1.00 N ATOM 698 CZ ARG A 42 18.248 3.895 6.949 1.00 1.00 C ATOM 699 NH1 ARG A 42 17.354 4.828 6.625 1.00 1.00 N ATOM 700 NH2 ARG A 42 18.647 3.794 8.213 1.00 1.00 N ATOM 0 H ARG A 42 20.578 -0.186 4.205 1.00 1.00 H new ATOM 0 HA ARG A 42 18.779 -1.961 5.388 1.00 1.00 H new ATOM 0 HB2 ARG A 42 17.158 0.071 4.880 1.00 1.00 H new ATOM 0 HB3 ARG A 42 18.460 0.250 6.040 1.00 1.00 H new ATOM 0 HG2 ARG A 42 19.845 1.371 4.272 1.00 1.00 H new ATOM 0 HG3 ARG A 42 18.497 1.241 3.160 1.00 1.00 H new ATOM 0 HD2 ARG A 42 18.432 3.474 4.014 1.00 1.00 H new ATOM 0 HD3 ARG A 42 17.115 2.624 4.798 1.00 1.00 H new ATOM 0 HE ARG A 42 19.628 2.583 6.303 1.00 1.00 H new ATOM 0 HH11 ARG A 42 17.031 4.912 5.661 1.00 1.00 H new ATOM 0 HH12 ARG A 42 16.993 5.459 7.341 1.00 1.00 H new ATOM 0 HH21 ARG A 42 19.324 3.079 8.479 1.00 1.00 H new ATOM 0 HH22 ARG A 42 18.276 4.432 8.917 1.00 1.00 H new ATOM 714 N GLN A 43 18.401 -1.728 2.185 1.00 1.00 N ATOM 715 CA GLN A 43 17.608 -1.948 0.988 1.00 1.00 C ATOM 716 C GLN A 43 17.032 -3.372 0.971 1.00 1.00 C ATOM 717 O GLN A 43 15.833 -3.573 0.798 1.00 1.00 O ATOM 718 CB GLN A 43 18.534 -1.797 -0.229 1.00 1.00 C ATOM 719 CG GLN A 43 18.991 -0.375 -0.598 1.00 1.00 C ATOM 720 CD GLN A 43 17.997 0.737 -0.281 1.00 1.00 C ATOM 721 OE1 GLN A 43 16.813 0.640 -0.574 1.00 1.00 O ATOM 722 NE2 GLN A 43 18.454 1.811 0.340 1.00 1.00 N ATOM 0 H GLN A 43 19.365 -1.467 1.978 1.00 1.00 H new ATOM 0 HA GLN A 43 16.788 -1.230 0.966 1.00 1.00 H new ATOM 0 HB2 GLN A 43 19.424 -2.402 -0.053 1.00 1.00 H new ATOM 0 HB3 GLN A 43 18.026 -2.223 -1.094 1.00 1.00 H new ATOM 0 HG2 GLN A 43 19.924 -0.165 -0.075 1.00 1.00 H new ATOM 0 HG3 GLN A 43 19.211 -0.348 -1.665 1.00 1.00 H new ATOM 0 HE21 GLN A 43 19.443 1.880 0.579 1.00 1.00 H new ATOM 0 HE22 GLN A 43 17.817 2.571 0.580 1.00 1.00 H new ATOM 731 N THR A 44 17.890 -4.376 1.133 1.00 1.00 N ATOM 732 CA THR A 44 17.488 -5.773 1.024 1.00 1.00 C ATOM 733 C THR A 44 16.513 -6.129 2.139 1.00 1.00 C ATOM 734 O THR A 44 15.485 -6.753 1.864 1.00 1.00 O ATOM 735 CB THR A 44 18.730 -6.671 1.029 1.00 1.00 C ATOM 736 OG1 THR A 44 19.472 -6.392 -0.143 1.00 1.00 O ATOM 737 CG2 THR A 44 18.392 -8.167 1.058 1.00 1.00 C ATOM 0 H THR A 44 18.879 -4.244 1.343 1.00 1.00 H new ATOM 0 HA THR A 44 16.968 -5.935 0.080 1.00 1.00 H new ATOM 0 HB THR A 44 19.295 -6.457 1.936 1.00 1.00 H new ATOM 0 HG1 THR A 44 20.275 -6.954 -0.163 1.00 1.00 H new ATOM 0 HG21 THR A 44 19.314 -8.748 1.060 1.00 1.00 H new ATOM 0 HG22 THR A 44 17.818 -8.393 1.957 1.00 1.00 H new ATOM 0 HG23 THR A 44 17.803 -8.424 0.178 1.00 1.00 H new ATOM 745 N ARG A 45 16.777 -5.718 3.388 1.00 1.00 N ATOM 746 CA ARG A 45 15.833 -6.018 4.450 1.00 1.00 C ATOM 747 C ARG A 45 14.515 -5.316 4.206 1.00 1.00 C ATOM 748 O ARG A 45 13.479 -5.858 4.562 1.00 1.00 O ATOM 749 CB ARG A 45 16.395 -5.620 5.809 1.00 1.00 C ATOM 750 CG ARG A 45 15.452 -6.112 6.920 1.00 1.00 C ATOM 751 CD ARG A 45 16.143 -6.998 7.941 1.00 1.00 C ATOM 752 NE ARG A 45 17.091 -6.303 8.828 1.00 1.00 N ATOM 753 CZ ARG A 45 17.910 -6.940 9.679 1.00 1.00 C ATOM 754 NH1 ARG A 45 17.985 -8.264 9.691 1.00 1.00 N ATOM 755 NH2 ARG A 45 18.661 -6.259 10.532 1.00 1.00 N ATOM 0 H ARG A 45 17.607 -5.197 3.672 1.00 1.00 H new ATOM 0 HA ARG A 45 15.662 -7.095 4.451 1.00 1.00 H new ATOM 0 HB2 ARG A 45 17.388 -6.050 5.944 1.00 1.00 H new ATOM 0 HB3 ARG A 45 16.506 -4.537 5.865 1.00 1.00 H new ATOM 0 HG2 ARG A 45 15.020 -5.250 7.429 1.00 1.00 H new ATOM 0 HG3 ARG A 45 14.626 -6.663 6.470 1.00 1.00 H new ATOM 0 HD2 ARG A 45 15.382 -7.481 8.554 1.00 1.00 H new ATOM 0 HD3 ARG A 45 16.676 -7.788 7.412 1.00 1.00 H new ATOM 0 HE ARG A 45 17.127 -5.284 8.794 1.00 1.00 H new ATOM 0 HH11 ARG A 45 17.415 -8.813 9.047 1.00 1.00 H new ATOM 0 HH12 ARG A 45 18.612 -8.733 10.344 1.00 1.00 H new ATOM 0 HH21 ARG A 45 18.620 -5.240 10.546 1.00 1.00 H new ATOM 0 HH22 ARG A 45 19.280 -6.754 11.174 1.00 1.00 H new ATOM 769 N PHE A 46 14.540 -4.142 3.591 1.00 1.00 N ATOM 770 CA PHE A 46 13.321 -3.449 3.238 1.00 1.00 C ATOM 771 C PHE A 46 12.460 -4.349 2.349 1.00 1.00 C ATOM 772 O PHE A 46 11.325 -4.642 2.720 1.00 1.00 O ATOM 773 CB PHE A 46 13.644 -2.092 2.610 1.00 1.00 C ATOM 774 CG PHE A 46 12.702 -1.694 1.502 1.00 1.00 C ATOM 775 CD1 PHE A 46 11.374 -1.383 1.839 1.00 1.00 C ATOM 776 CD2 PHE A 46 13.132 -1.632 0.157 1.00 1.00 C ATOM 777 CE1 PHE A 46 10.497 -0.938 0.849 1.00 1.00 C ATOM 778 CE2 PHE A 46 12.267 -1.097 -0.811 1.00 1.00 C ATOM 779 CZ PHE A 46 10.961 -0.724 -0.449 1.00 1.00 C ATOM 0 H PHE A 46 15.396 -3.653 3.328 1.00 1.00 H new ATOM 0 HA PHE A 46 12.734 -3.234 4.131 1.00 1.00 H new ATOM 0 HB2 PHE A 46 13.620 -1.328 3.387 1.00 1.00 H new ATOM 0 HB3 PHE A 46 14.661 -2.116 2.218 1.00 1.00 H new ATOM 0 HD1 PHE A 46 11.034 -1.488 2.859 1.00 1.00 H new ATOM 0 HD2 PHE A 46 14.112 -1.991 -0.122 1.00 1.00 H new ATOM 0 HE1 PHE A 46 9.459 -0.759 1.088 1.00 1.00 H new ATOM 0 HE2 PHE A 46 12.604 -0.973 -1.830 1.00 1.00 H new ATOM 0 HZ PHE A 46 10.312 -0.268 -1.182 1.00 1.00 H new ATOM 789 N GLN A 47 12.991 -4.838 1.223 1.00 1.00 N ATOM 790 CA GLN A 47 12.200 -5.714 0.356 1.00 1.00 C ATOM 791 C GLN A 47 11.891 -7.040 1.069 1.00 1.00 C ATOM 792 O GLN A 47 10.832 -7.609 0.808 1.00 1.00 O ATOM 793 CB GLN A 47 12.878 -5.928 -1.013 1.00 1.00 C ATOM 794 CG GLN A 47 12.534 -4.832 -2.047 1.00 1.00 C ATOM 795 CD GLN A 47 13.736 -4.374 -2.865 1.00 1.00 C ATOM 796 OE1 GLN A 47 14.799 -4.037 -2.359 1.00 1.00 O ATOM 797 NE2 GLN A 47 13.589 -4.318 -4.180 1.00 1.00 N ATOM 0 H GLN A 47 13.939 -4.648 0.898 1.00 1.00 H new ATOM 0 HA GLN A 47 11.250 -5.222 0.150 1.00 1.00 H new ATOM 0 HB2 GLN A 47 13.959 -5.959 -0.874 1.00 1.00 H new ATOM 0 HB3 GLN A 47 12.579 -6.898 -1.410 1.00 1.00 H new ATOM 0 HG2 GLN A 47 11.766 -5.208 -2.723 1.00 1.00 H new ATOM 0 HG3 GLN A 47 12.109 -3.973 -1.528 1.00 1.00 H new ATOM 0 HE21 GLN A 47 12.706 -4.598 -4.607 1.00 1.00 H new ATOM 0 HE22 GLN A 47 14.359 -3.995 -4.766 1.00 1.00 H new ATOM 806 N ASN A 48 12.724 -7.513 2.010 1.00 1.00 N ATOM 807 CA ASN A 48 12.396 -8.718 2.772 1.00 1.00 C ATOM 808 C ASN A 48 11.233 -8.463 3.728 1.00 1.00 C ATOM 809 O ASN A 48 10.423 -9.366 3.929 1.00 1.00 O ATOM 810 CB ASN A 48 13.601 -9.264 3.563 1.00 1.00 C ATOM 811 CG ASN A 48 14.707 -9.888 2.714 1.00 1.00 C ATOM 812 OD1 ASN A 48 14.526 -10.190 1.538 1.00 1.00 O ATOM 813 ND2 ASN A 48 15.885 -10.116 3.269 1.00 1.00 N ATOM 0 H ASN A 48 13.616 -7.083 2.256 1.00 1.00 H new ATOM 0 HA ASN A 48 12.107 -9.472 2.040 1.00 1.00 H new ATOM 0 HB2 ASN A 48 14.030 -8.451 4.149 1.00 1.00 H new ATOM 0 HB3 ASN A 48 13.242 -10.012 4.270 1.00 1.00 H new ATOM 0 HD21 ASN A 48 16.634 -10.539 2.721 1.00 1.00 H new ATOM 0 HD22 ASN A 48 16.045 -9.869 4.245 1.00 1.00 H new ATOM 820 N ALA A 49 11.121 -7.266 4.306 1.00 1.00 N ATOM 821 CA ALA A 49 10.035 -6.887 5.198 1.00 1.00 C ATOM 822 C ALA A 49 8.749 -6.657 4.411 1.00 1.00 C ATOM 823 O ALA A 49 7.686 -7.081 4.852 1.00 1.00 O ATOM 824 CB ALA A 49 10.437 -5.632 5.980 1.00 1.00 C ATOM 0 H ALA A 49 11.801 -6.519 4.161 1.00 1.00 H new ATOM 0 HA ALA A 49 9.847 -7.696 5.904 1.00 1.00 H new ATOM 0 HB1 ALA A 49 9.626 -5.345 6.649 1.00 1.00 H new ATOM 0 HB2 ALA A 49 11.334 -5.839 6.564 1.00 1.00 H new ATOM 0 HB3 ALA A 49 10.638 -4.818 5.283 1.00 1.00 H new ATOM 830 N CYS A 50 8.856 -6.098 3.204 1.00 1.00 N ATOM 831 CA CYS A 50 7.753 -6.025 2.251 1.00 1.00 C ATOM 832 C CYS A 50 7.277 -7.439 1.902 1.00 1.00 C ATOM 833 O CYS A 50 6.074 -7.701 1.861 1.00 1.00 O ATOM 834 CB CYS A 50 8.193 -5.227 1.007 1.00 1.00 C ATOM 835 SG CYS A 50 8.472 -3.505 1.483 1.00 1.00 S ATOM 0 H CYS A 50 9.720 -5.680 2.860 1.00 1.00 H new ATOM 0 HA CYS A 50 6.907 -5.498 2.693 1.00 1.00 H new ATOM 0 HB2 CYS A 50 9.104 -5.654 0.588 1.00 1.00 H new ATOM 0 HB3 CYS A 50 7.428 -5.285 0.232 1.00 1.00 H new ATOM 0 HG CYS A 50 9.553 -3.066 0.910 1.00 1.00 H new ATOM 841 N ARG A 51 8.203 -8.380 1.681 1.00 1.00 N ATOM 842 CA ARG A 51 7.868 -9.773 1.400 1.00 1.00 C ATOM 843 C ARG A 51 7.197 -10.383 2.618 1.00 1.00 C ATOM 844 O ARG A 51 6.217 -11.106 2.467 1.00 1.00 O ATOM 845 CB ARG A 51 9.124 -10.541 0.952 1.00 1.00 C ATOM 846 CG ARG A 51 8.757 -11.915 0.375 1.00 1.00 C ATOM 847 CD ARG A 51 9.933 -12.716 -0.213 1.00 1.00 C ATOM 848 NE ARG A 51 10.583 -12.011 -1.329 1.00 1.00 N ATOM 849 CZ ARG A 51 11.628 -11.181 -1.232 1.00 1.00 C ATOM 850 NH1 ARG A 51 12.285 -11.036 -0.088 1.00 1.00 N ATOM 851 NH2 ARG A 51 12.000 -10.452 -2.275 1.00 1.00 N ATOM 0 H ARG A 51 9.206 -8.192 1.693 1.00 1.00 H new ATOM 0 HA ARG A 51 7.159 -9.836 0.574 1.00 1.00 H new ATOM 0 HB2 ARG A 51 9.661 -9.960 0.202 1.00 1.00 H new ATOM 0 HB3 ARG A 51 9.798 -10.668 1.799 1.00 1.00 H new ATOM 0 HG2 ARG A 51 8.292 -12.509 1.162 1.00 1.00 H new ATOM 0 HG3 ARG A 51 8.008 -11.775 -0.404 1.00 1.00 H new ATOM 0 HD2 ARG A 51 10.667 -12.908 0.570 1.00 1.00 H new ATOM 0 HD3 ARG A 51 9.574 -13.685 -0.558 1.00 1.00 H new ATOM 0 HE ARG A 51 10.202 -12.169 -2.262 1.00 1.00 H new ATOM 0 HH11 ARG A 51 11.996 -11.562 0.737 1.00 1.00 H new ATOM 0 HH12 ARG A 51 13.079 -10.398 -0.033 1.00 1.00 H new ATOM 0 HH21 ARG A 51 11.489 -10.523 -3.155 1.00 1.00 H new ATOM 0 HH22 ARG A 51 12.797 -9.820 -2.197 1.00 1.00 H new ATOM 865 N ASP A 52 7.666 -10.057 3.818 1.00 1.00 N ATOM 866 CA ASP A 52 7.051 -10.491 5.064 1.00 1.00 C ATOM 867 C ASP A 52 5.635 -9.959 5.234 1.00 1.00 C ATOM 868 O ASP A 52 4.850 -10.574 5.957 1.00 1.00 O ATOM 869 CB ASP A 52 7.936 -10.137 6.268 1.00 1.00 C ATOM 870 CG ASP A 52 8.473 -11.397 6.939 1.00 1.00 C ATOM 871 OD1 ASP A 52 7.677 -12.319 7.230 1.00 1.00 O ATOM 872 OD2 ASP A 52 9.710 -11.474 7.134 1.00 1.00 O ATOM 0 H ASP A 52 8.494 -9.477 3.952 1.00 1.00 H new ATOM 0 HA ASP A 52 6.966 -11.577 5.015 1.00 1.00 H new ATOM 0 HB2 ASP A 52 8.767 -9.512 5.942 1.00 1.00 H new ATOM 0 HB3 ASP A 52 7.361 -9.554 6.988 1.00 1.00 H new ATOM 877 N GLY A 53 5.274 -8.879 4.537 1.00 1.00 N ATOM 878 CA GLY A 53 3.937 -8.326 4.540 1.00 1.00 C ATOM 879 C GLY A 53 3.993 -6.892 5.030 1.00 1.00 C ATOM 880 O GLY A 53 4.726 -6.073 4.477 1.00 1.00 O ATOM 0 H GLY A 53 5.924 -8.361 3.946 1.00 1.00 H new ATOM 0 HA2 GLY A 53 3.512 -8.364 3.537 1.00 1.00 H new ATOM 0 HA3 GLY A 53 3.287 -8.918 5.184 1.00 1.00 H new ATOM 884 N ARG A 54 3.130 -6.554 5.992 1.00 1.00 N ATOM 885 CA ARG A 54 2.820 -5.168 6.319 1.00 1.00 C ATOM 886 C ARG A 54 4.052 -4.369 6.698 1.00 1.00 C ATOM 887 O ARG A 54 5.046 -4.909 7.185 1.00 1.00 O ATOM 888 CB ARG A 54 1.681 -5.079 7.344 1.00 1.00 C ATOM 889 CG ARG A 54 1.962 -5.628 8.755 1.00 1.00 C ATOM 890 CD ARG A 54 2.695 -4.642 9.673 1.00 1.00 C ATOM 891 NE ARG A 54 2.001 -3.340 9.757 1.00 1.00 N ATOM 892 CZ ARG A 54 1.395 -2.839 10.845 1.00 1.00 C ATOM 893 NH1 ARG A 54 1.206 -3.563 11.945 1.00 1.00 N ATOM 894 NH2 ARG A 54 0.961 -1.593 10.833 1.00 1.00 N ATOM 0 H ARG A 54 2.630 -7.235 6.563 1.00 1.00 H new ATOM 0 HA ARG A 54 2.450 -4.689 5.412 1.00 1.00 H new ATOM 0 HB2 ARG A 54 1.393 -4.032 7.440 1.00 1.00 H new ATOM 0 HB3 ARG A 54 0.820 -5.611 6.940 1.00 1.00 H new ATOM 0 HG2 ARG A 54 1.017 -5.907 9.220 1.00 1.00 H new ATOM 0 HG3 ARG A 54 2.556 -6.538 8.668 1.00 1.00 H new ATOM 0 HD2 ARG A 54 2.781 -5.072 10.671 1.00 1.00 H new ATOM 0 HD3 ARG A 54 3.709 -4.489 9.304 1.00 1.00 H new ATOM 0 HE ARG A 54 1.981 -2.770 8.911 1.00 1.00 H new ATOM 0 HH11 ARG A 54 1.526 -4.531 11.980 1.00 1.00 H new ATOM 0 HH12 ARG A 54 0.742 -3.150 12.754 1.00 1.00 H new ATOM 0 HH21 ARG A 54 1.087 -1.017 10.001 1.00 1.00 H new ATOM 0 HH22 ARG A 54 0.500 -1.206 11.656 1.00 1.00 H new ATOM 908 N SER A 55 3.950 -3.068 6.486 1.00 1.00 N ATOM 909 CA SER A 55 5.002 -2.086 6.629 1.00 1.00 C ATOM 910 C SER A 55 4.364 -0.757 7.025 1.00 1.00 C ATOM 911 O SER A 55 3.169 -0.686 7.311 1.00 1.00 O ATOM 912 CB SER A 55 5.773 -1.957 5.302 1.00 1.00 C ATOM 913 OG SER A 55 7.149 -2.208 5.510 1.00 1.00 O ATOM 0 H SER A 55 3.070 -2.646 6.190 1.00 1.00 H new ATOM 0 HA SER A 55 5.711 -2.389 7.400 1.00 1.00 H new ATOM 0 HB2 SER A 55 5.374 -2.661 4.571 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.637 -0.957 4.889 1.00 1.00 H new ATOM 0 HG SER A 55 7.675 -1.722 4.841 1.00 1.00 H new ATOM 919 N GLU A 56 5.168 0.302 7.011 1.00 1.00 N ATOM 920 CA GLU A 56 4.748 1.643 7.364 1.00 1.00 C ATOM 921 C GLU A 56 5.367 2.580 6.342 1.00 1.00 C ATOM 922 O GLU A 56 6.588 2.580 6.149 1.00 1.00 O ATOM 923 CB GLU A 56 5.179 2.000 8.795 1.00 1.00 C ATOM 924 CG GLU A 56 3.997 2.251 9.735 1.00 1.00 C ATOM 925 CD GLU A 56 3.440 0.952 10.302 1.00 1.00 C ATOM 926 OE1 GLU A 56 4.162 0.279 11.071 1.00 1.00 O ATOM 927 OE2 GLU A 56 2.269 0.620 10.027 1.00 1.00 O ATOM 0 H GLU A 56 6.152 0.244 6.747 1.00 1.00 H new ATOM 0 HA GLU A 56 3.661 1.728 7.348 1.00 1.00 H new ATOM 0 HB2 GLU A 56 5.789 1.191 9.197 1.00 1.00 H new ATOM 0 HB3 GLU A 56 5.808 2.890 8.767 1.00 1.00 H new ATOM 0 HG2 GLU A 56 4.314 2.898 10.553 1.00 1.00 H new ATOM 0 HG3 GLU A 56 3.210 2.780 9.197 1.00 1.00 H new ATOM 934 N ILE A 57 4.532 3.351 5.658 1.00 1.00 N ATOM 935 CA ILE A 57 4.984 4.308 4.650 1.00 1.00 C ATOM 936 C ILE A 57 4.289 5.636 4.948 1.00 1.00 C ATOM 937 O ILE A 57 3.138 5.649 5.360 1.00 1.00 O ATOM 938 CB ILE A 57 4.743 3.722 3.234 1.00 1.00 C ATOM 939 CG1 ILE A 57 5.584 2.430 3.058 1.00 1.00 C ATOM 940 CG2 ILE A 57 5.084 4.747 2.145 1.00 1.00 C ATOM 941 CD1 ILE A 57 5.801 1.936 1.622 1.00 1.00 C ATOM 0 H ILE A 57 3.520 3.332 5.785 1.00 1.00 H new ATOM 0 HA ILE A 57 6.057 4.499 4.683 1.00 1.00 H new ATOM 0 HB ILE A 57 3.686 3.477 3.131 1.00 1.00 H new ATOM 0 HG12 ILE A 57 6.561 2.596 3.511 1.00 1.00 H new ATOM 0 HG13 ILE A 57 5.102 1.632 3.623 1.00 1.00 H new ATOM 0 HG21 ILE A 57 4.905 4.308 1.163 1.00 1.00 H new ATOM 0 HG22 ILE A 57 4.457 5.630 2.267 1.00 1.00 H new ATOM 0 HG23 ILE A 57 6.133 5.032 2.229 1.00 1.00 H new ATOM 0 HD11 ILE A 57 6.403 1.027 1.637 1.00 1.00 H new ATOM 0 HD12 ILE A 57 4.837 1.725 1.160 1.00 1.00 H new ATOM 0 HD13 ILE A 57 6.318 2.704 1.047 1.00 1.00 H new ATOM 953 N ALA A 58 4.971 6.766 4.771 1.00 1.00 N ATOM 954 CA ALA A 58 4.412 8.084 5.014 1.00 1.00 C ATOM 955 C ALA A 58 4.611 8.938 3.777 1.00 1.00 C ATOM 956 O ALA A 58 5.717 9.020 3.241 1.00 1.00 O ATOM 957 CB ALA A 58 5.063 8.753 6.221 1.00 1.00 C ATOM 0 H ALA A 58 5.939 6.787 4.451 1.00 1.00 H new ATOM 0 HA ALA A 58 3.349 7.978 5.231 1.00 1.00 H new ATOM 0 HB1 ALA A 58 4.621 9.737 6.374 1.00 1.00 H new ATOM 0 HB2 ALA A 58 4.901 8.141 7.108 1.00 1.00 H new ATOM 0 HB3 ALA A 58 6.133 8.860 6.045 1.00 1.00 H new ATOM 963 N PHE A 59 3.565 9.624 3.336 1.00 1.00 N ATOM 964 CA PHE A 59 3.694 10.515 2.185 1.00 1.00 C ATOM 965 C PHE A 59 4.578 11.698 2.548 1.00 1.00 C ATOM 966 O PHE A 59 4.554 12.146 3.691 1.00 1.00 O ATOM 967 CB PHE A 59 2.300 10.983 1.708 1.00 1.00 C ATOM 968 CG PHE A 59 1.585 9.943 0.896 1.00 1.00 C ATOM 969 CD1 PHE A 59 0.897 8.906 1.546 1.00 1.00 C ATOM 970 CD2 PHE A 59 1.564 10.055 -0.502 1.00 1.00 C ATOM 971 CE1 PHE A 59 0.136 8.001 0.767 1.00 1.00 C ATOM 972 CE2 PHE A 59 0.834 9.139 -1.264 1.00 1.00 C ATOM 973 CZ PHE A 59 0.117 8.110 -0.634 1.00 1.00 C ATOM 0 H PHE A 59 2.632 9.585 3.747 1.00 1.00 H new ATOM 0 HA PHE A 59 4.163 9.975 1.362 1.00 1.00 H new ATOM 0 HB2 PHE A 59 1.692 11.242 2.575 1.00 1.00 H new ATOM 0 HB3 PHE A 59 2.410 11.890 1.113 1.00 1.00 H new ATOM 0 HD1 PHE A 59 0.947 8.801 2.620 1.00 1.00 H new ATOM 0 HD2 PHE A 59 2.111 10.848 -0.989 1.00 1.00 H new ATOM 0 HE1 PHE A 59 -0.433 7.222 1.252 1.00 1.00 H new ATOM 0 HE2 PHE A 59 0.821 9.223 -2.341 1.00 1.00 H new ATOM 0 HZ PHE A 59 -0.448 7.404 -1.224 1.00 1.00 H new ATOM 983 N VAL A 60 5.360 12.218 1.607 1.00 1.00 N ATOM 984 CA VAL A 60 6.123 13.440 1.835 1.00 1.00 C ATOM 985 C VAL A 60 5.144 14.615 1.864 1.00 1.00 C ATOM 986 O VAL A 60 5.220 15.440 2.773 1.00 1.00 O ATOM 987 CB VAL A 60 7.232 13.594 0.772 1.00 1.00 C ATOM 988 CG1 VAL A 60 7.978 14.927 0.896 1.00 1.00 C ATOM 989 CG2 VAL A 60 8.249 12.453 0.920 1.00 1.00 C ATOM 0 H VAL A 60 5.482 11.812 0.679 1.00 1.00 H new ATOM 0 HA VAL A 60 6.640 13.405 2.794 1.00 1.00 H new ATOM 0 HB VAL A 60 6.747 13.564 -0.204 1.00 1.00 H new ATOM 0 HG11 VAL A 60 8.747 14.986 0.126 1.00 1.00 H new ATOM 0 HG12 VAL A 60 7.275 15.750 0.771 1.00 1.00 H new ATOM 0 HG13 VAL A 60 8.443 14.994 1.880 1.00 1.00 H new ATOM 0 HG21 VAL A 60 9.031 12.563 0.169 1.00 1.00 H new ATOM 0 HG22 VAL A 60 8.693 12.488 1.915 1.00 1.00 H new ATOM 0 HG23 VAL A 60 7.745 11.496 0.782 1.00 1.00 H new ATOM 999 N ALA A 61 4.197 14.640 0.916 1.00 1.00 N ATOM 1000 CA ALA A 61 3.327 15.772 0.621 1.00 1.00 C ATOM 1001 C ALA A 61 2.535 16.271 1.832 1.00 1.00 C ATOM 1002 O ALA A 61 2.279 17.471 1.933 1.00 1.00 O ATOM 1003 CB ALA A 61 2.378 15.385 -0.520 1.00 1.00 C ATOM 0 H ALA A 61 4.014 13.837 0.314 1.00 1.00 H new ATOM 0 HA ALA A 61 3.966 16.604 0.325 1.00 1.00 H new ATOM 0 HB1 ALA A 61 1.722 16.225 -0.749 1.00 1.00 H new ATOM 0 HB2 ALA A 61 2.959 15.127 -1.405 1.00 1.00 H new ATOM 0 HB3 ALA A 61 1.777 14.527 -0.218 1.00 1.00 H new ATOM 1009 N THR A 62 2.129 15.375 2.734 1.00 1.00 N ATOM 1010 CA THR A 62 1.357 15.707 3.913 1.00 1.00 C ATOM 1011 C THR A 62 1.902 15.020 5.174 1.00 1.00 C ATOM 1012 O THR A 62 1.602 15.471 6.282 1.00 1.00 O ATOM 1013 CB THR A 62 -0.091 15.323 3.590 1.00 1.00 C ATOM 1014 OG1 THR A 62 -0.562 16.126 2.528 1.00 1.00 O ATOM 1015 CG2 THR A 62 -1.025 15.524 4.764 1.00 1.00 C ATOM 0 H THR A 62 2.337 14.380 2.655 1.00 1.00 H new ATOM 0 HA THR A 62 1.422 16.770 4.147 1.00 1.00 H new ATOM 0 HB THR A 62 -0.085 14.265 3.329 1.00 1.00 H new ATOM 0 HG1 THR A 62 -1.010 15.561 1.864 1.00 1.00 H new ATOM 0 HG21 THR A 62 -2.037 15.236 4.478 1.00 1.00 H new ATOM 0 HG22 THR A 62 -0.695 14.908 5.601 1.00 1.00 H new ATOM 0 HG23 THR A 62 -1.017 16.573 5.060 1.00 1.00 H new ATOM 1023 N GLY A 63 2.734 13.980 5.053 1.00 1.00 N ATOM 1024 CA GLY A 63 3.236 13.262 6.215 1.00 1.00 C ATOM 1025 C GLY A 63 2.198 12.357 6.854 1.00 1.00 C ATOM 1026 O GLY A 63 2.188 12.218 8.079 1.00 1.00 O ATOM 0 H GLY A 63 3.070 13.622 4.159 1.00 1.00 H new ATOM 0 HA2 GLY A 63 4.098 12.664 5.920 1.00 1.00 H new ATOM 0 HA3 GLY A 63 3.586 13.982 6.955 1.00 1.00 H new ATOM 1030 N THR A 64 1.326 11.738 6.064 1.00 1.00 N ATOM 1031 CA THR A 64 0.337 10.821 6.585 1.00 1.00 C ATOM 1032 C THR A 64 1.070 9.498 6.689 1.00 1.00 C ATOM 1033 O THR A 64 1.281 8.842 5.668 1.00 1.00 O ATOM 1034 CB THR A 64 -0.847 10.771 5.619 1.00 1.00 C ATOM 1035 OG1 THR A 64 -1.453 12.045 5.555 1.00 1.00 O ATOM 1036 CG2 THR A 64 -1.892 9.711 5.981 1.00 1.00 C ATOM 0 H THR A 64 1.291 11.862 5.052 1.00 1.00 H new ATOM 0 HA THR A 64 -0.075 11.105 7.553 1.00 1.00 H new ATOM 0 HB THR A 64 -0.449 10.484 4.646 1.00 1.00 H new ATOM 0 HG1 THR A 64 -2.211 12.016 4.935 1.00 1.00 H new ATOM 0 HG21 THR A 64 -2.702 9.734 5.252 1.00 1.00 H new ATOM 0 HG22 THR A 64 -1.427 8.725 5.976 1.00 1.00 H new ATOM 0 HG23 THR A 64 -2.292 9.918 6.974 1.00 1.00 H new ATOM 1044 N ASN A 65 1.531 9.172 7.896 1.00 1.00 N ATOM 1045 CA ASN A 65 1.941 7.827 8.249 1.00 1.00 C ATOM 1046 C ASN A 65 0.766 6.896 7.984 1.00 1.00 C ATOM 1047 O ASN A 65 -0.342 7.126 8.479 1.00 1.00 O ATOM 1048 CB ASN A 65 2.391 7.727 9.711 1.00 1.00 C ATOM 1049 CG ASN A 65 2.658 6.276 10.099 1.00 1.00 C ATOM 1050 OD1 ASN A 65 3.118 5.484 9.288 1.00 1.00 O ATOM 1051 ND2 ASN A 65 2.371 5.913 11.335 1.00 1.00 N ATOM 0 H ASN A 65 1.628 9.844 8.657 1.00 1.00 H new ATOM 0 HA ASN A 65 2.801 7.543 7.643 1.00 1.00 H new ATOM 0 HB2 ASN A 65 3.294 8.320 9.859 1.00 1.00 H new ATOM 0 HB3 ASN A 65 1.624 8.147 10.362 1.00 1.00 H new ATOM 0 HD21 ASN A 65 2.532 4.951 11.634 1.00 1.00 H new ATOM 0 HD22 ASN A 65 1.988 6.594 11.991 1.00 1.00 H new ATOM 1058 N LEU A 66 1.000 5.896 7.150 1.00 1.00 N ATOM 1059 CA LEU A 66 0.023 5.031 6.550 1.00 1.00 C ATOM 1060 C LEU A 66 0.621 3.633 6.644 1.00 1.00 C ATOM 1061 O LEU A 66 1.657 3.325 6.049 1.00 1.00 O ATOM 1062 CB LEU A 66 -0.202 5.548 5.125 1.00 1.00 C ATOM 1063 CG LEU A 66 -1.276 4.813 4.319 1.00 1.00 C ATOM 1064 CD1 LEU A 66 -1.431 5.553 2.995 1.00 1.00 C ATOM 1065 CD2 LEU A 66 -0.879 3.375 4.005 1.00 1.00 C ATOM 0 H LEU A 66 1.949 5.659 6.860 1.00 1.00 H new ATOM 0 HA LEU A 66 -0.957 5.008 7.027 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -0.471 6.603 5.178 1.00 1.00 H new ATOM 0 HB3 LEU A 66 0.741 5.486 4.582 1.00 1.00 H new ATOM 0 HG LEU A 66 -2.195 4.789 4.904 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -2.190 5.059 2.389 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -1.733 6.583 3.187 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -0.480 5.547 2.462 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -1.673 2.895 3.432 1.00 1.00 H new ATOM 0 HD22 LEU A 66 0.042 3.371 3.423 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -0.722 2.829 4.935 1.00 1.00 H new ATOM 1077 N SER A 67 -0.017 2.781 7.430 1.00 1.00 N ATOM 1078 CA SER A 67 0.385 1.402 7.561 1.00 1.00 C ATOM 1079 C SER A 67 0.021 0.706 6.266 1.00 1.00 C ATOM 1080 O SER A 67 -1.163 0.558 5.959 1.00 1.00 O ATOM 1081 CB SER A 67 -0.384 0.753 8.712 1.00 1.00 C ATOM 1082 OG SER A 67 -0.172 1.451 9.925 1.00 1.00 O ATOM 0 H SER A 67 -0.829 3.033 7.994 1.00 1.00 H new ATOM 0 HA SER A 67 1.454 1.327 7.763 1.00 1.00 H new ATOM 0 HB2 SER A 67 -1.449 0.738 8.479 1.00 1.00 H new ATOM 0 HB3 SER A 67 -0.068 -0.284 8.826 1.00 1.00 H new ATOM 0 HG SER A 67 0.748 1.306 10.229 1.00 1.00 H new ATOM 1088 N LEU A 68 1.013 0.336 5.469 1.00 1.00 N ATOM 1089 CA LEU A 68 0.762 -0.475 4.300 1.00 1.00 C ATOM 1090 C LEU A 68 0.615 -1.906 4.764 1.00 1.00 C ATOM 1091 O LEU A 68 1.433 -2.380 5.547 1.00 1.00 O ATOM 1092 CB LEU A 68 1.917 -0.357 3.306 1.00 1.00 C ATOM 1093 CG LEU A 68 1.620 0.617 2.170 1.00 1.00 C ATOM 1094 CD1 LEU A 68 2.757 0.479 1.167 1.00 1.00 C ATOM 1095 CD2 LEU A 68 0.287 0.448 1.446 1.00 1.00 C ATOM 0 H LEU A 68 1.991 0.586 5.614 1.00 1.00 H new ATOM 0 HA LEU A 68 -0.143 -0.140 3.793 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.813 -0.031 3.834 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.133 -1.340 2.889 1.00 1.00 H new ATOM 0 HG LEU A 68 1.540 1.604 2.626 1.00 1.00 H new ATOM 0 HD11 LEU A 68 2.590 1.159 0.332 1.00 1.00 H new ATOM 0 HD12 LEU A 68 3.702 0.725 1.652 1.00 1.00 H new ATOM 0 HD13 LEU A 68 2.795 -0.546 0.799 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.200 1.201 0.663 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.238 -0.546 1.001 1.00 1.00 H new ATOM 0 HD23 LEU A 68 -0.531 0.568 2.157 1.00 1.00 H new ATOM 1107 N GLN A 69 -0.383 -2.619 4.261 1.00 1.00 N ATOM 1108 CA GLN A 69 -0.578 -4.020 4.610 1.00 1.00 C ATOM 1109 C GLN A 69 -0.962 -4.818 3.370 1.00 1.00 C ATOM 1110 O GLN A 69 -1.846 -4.426 2.617 1.00 1.00 O ATOM 1111 CB GLN A 69 -1.552 -4.166 5.791 1.00 1.00 C ATOM 1112 CG GLN A 69 -2.895 -3.433 5.646 1.00 1.00 C ATOM 1113 CD GLN A 69 -2.995 -2.059 6.309 1.00 1.00 C ATOM 1114 OE1 GLN A 69 -2.471 -1.825 7.398 1.00 1.00 O ATOM 1115 NE2 GLN A 69 -3.747 -1.149 5.708 1.00 1.00 N ATOM 0 H GLN A 69 -1.073 -2.249 3.607 1.00 1.00 H new ATOM 0 HA GLN A 69 0.359 -4.448 4.966 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -1.753 -5.227 5.942 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -1.057 -3.804 6.692 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -3.107 -3.316 4.583 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -3.678 -4.069 6.059 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.175 -1.356 4.806 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.898 -0.241 6.148 1.00 1.00 H new ATOM 1124 N PHE A 70 -0.262 -5.926 3.128 1.00 1.00 N ATOM 1125 CA PHE A 70 -0.249 -6.609 1.839 1.00 1.00 C ATOM 1126 C PHE A 70 -1.150 -7.828 1.982 1.00 1.00 C ATOM 1127 O PHE A 70 -0.703 -8.976 2.074 1.00 1.00 O ATOM 1128 CB PHE A 70 1.197 -6.883 1.390 1.00 1.00 C ATOM 1129 CG PHE A 70 2.051 -5.622 1.365 1.00 1.00 C ATOM 1130 CD1 PHE A 70 2.537 -5.098 2.570 1.00 1.00 C ATOM 1131 CD2 PHE A 70 2.317 -4.927 0.175 1.00 1.00 C ATOM 1132 CE1 PHE A 70 3.251 -3.893 2.625 1.00 1.00 C ATOM 1133 CE2 PHE A 70 3.083 -3.748 0.206 1.00 1.00 C ATOM 1134 CZ PHE A 70 3.544 -3.223 1.428 1.00 1.00 C ATOM 0 H PHE A 70 0.319 -6.379 3.833 1.00 1.00 H new ATOM 0 HA PHE A 70 -0.651 -6.004 1.026 1.00 1.00 H new ATOM 0 HB2 PHE A 70 1.651 -7.611 2.062 1.00 1.00 H new ATOM 0 HB3 PHE A 70 1.186 -7.330 0.396 1.00 1.00 H new ATOM 0 HD1 PHE A 70 2.356 -5.640 3.486 1.00 1.00 H new ATOM 0 HD2 PHE A 70 1.934 -5.298 -0.764 1.00 1.00 H new ATOM 0 HE1 PHE A 70 3.570 -3.487 3.574 1.00 1.00 H new ATOM 0 HE2 PHE A 70 3.320 -3.240 -0.717 1.00 1.00 H new ATOM 0 HZ PHE A 70 4.120 -2.310 1.444 1.00 1.00 H new ATOM 1144 N PHE A 71 -2.439 -7.518 2.088 1.00 1.00 N ATOM 1145 CA PHE A 71 -3.555 -8.393 2.390 1.00 1.00 C ATOM 1146 C PHE A 71 -4.572 -8.367 1.242 1.00 1.00 C ATOM 1147 O PHE A 71 -5.540 -7.623 1.286 1.00 1.00 O ATOM 1148 CB PHE A 71 -4.049 -8.098 3.825 1.00 1.00 C ATOM 1149 CG PHE A 71 -5.169 -7.086 3.978 1.00 1.00 C ATOM 1150 CD1 PHE A 71 -4.831 -5.724 4.003 1.00 1.00 C ATOM 1151 CD2 PHE A 71 -6.524 -7.461 4.024 1.00 1.00 C ATOM 1152 CE1 PHE A 71 -5.825 -4.741 4.112 1.00 1.00 C ATOM 1153 CE2 PHE A 71 -7.523 -6.481 4.144 1.00 1.00 C ATOM 1154 CZ PHE A 71 -7.171 -5.121 4.198 1.00 1.00 C ATOM 0 H PHE A 71 -2.752 -6.557 1.951 1.00 1.00 H new ATOM 0 HA PHE A 71 -3.279 -9.447 2.427 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.379 -9.037 4.268 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -3.198 -7.751 4.411 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -3.794 -5.430 3.938 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -6.797 -8.504 3.967 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -5.554 -3.696 4.130 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -8.562 -6.772 4.195 1.00 1.00 H new ATOM 0 HZ PHE A 71 -7.938 -4.369 4.306 1.00 1.00 H new ATOM 1164 N PRO A 72 -4.358 -9.128 0.155 1.00 1.00 N ATOM 1165 CA PRO A 72 -5.406 -9.342 -0.843 1.00 1.00 C ATOM 1166 C PRO A 72 -6.587 -10.090 -0.207 1.00 1.00 C ATOM 1167 O PRO A 72 -6.463 -10.589 0.914 1.00 1.00 O ATOM 1168 CB PRO A 72 -4.729 -10.136 -1.967 1.00 1.00 C ATOM 1169 CG PRO A 72 -3.556 -10.838 -1.281 1.00 1.00 C ATOM 1170 CD PRO A 72 -3.168 -9.908 -0.143 1.00 1.00 C ATOM 0 HA PRO A 72 -5.826 -8.416 -1.235 1.00 1.00 H new ATOM 0 HB2 PRO A 72 -5.415 -10.854 -2.415 1.00 1.00 H new ATOM 0 HB3 PRO A 72 -4.387 -9.480 -2.767 1.00 1.00 H new ATOM 0 HG2 PRO A 72 -3.844 -11.821 -0.909 1.00 1.00 H new ATOM 0 HG3 PRO A 72 -2.726 -10.989 -1.971 1.00 1.00 H new ATOM 0 HD2 PRO A 72 -2.842 -10.473 0.730 1.00 1.00 H new ATOM 0 HD3 PRO A 72 -2.339 -9.262 -0.432 1.00 1.00 H new ATOM 1178 N ALA A 73 -7.693 -10.268 -0.942 1.00 1.00 N ATOM 1179 CA ALA A 73 -8.762 -11.211 -0.607 1.00 1.00 C ATOM 1180 C ALA A 73 -8.259 -12.628 -0.913 1.00 1.00 C ATOM 1181 O ALA A 73 -8.713 -13.312 -1.831 1.00 1.00 O ATOM 1182 CB ALA A 73 -10.051 -10.874 -1.360 1.00 1.00 C ATOM 0 H ALA A 73 -7.871 -9.749 -1.802 1.00 1.00 H new ATOM 0 HA ALA A 73 -9.010 -11.143 0.452 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -10.827 -11.591 -1.092 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -10.377 -9.869 -1.092 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -9.868 -10.922 -2.434 1.00 1.00 H new ATOM 1188 N SER A 74 -7.206 -12.989 -0.203 1.00 1.00 N ATOM 1189 CA SER A 74 -6.462 -14.231 -0.186 1.00 1.00 C ATOM 1190 C SER A 74 -5.524 -14.240 1.031 1.00 1.00 C ATOM 1191 O SER A 74 -5.215 -15.317 1.538 1.00 1.00 O ATOM 1192 CB SER A 74 -5.667 -14.372 -1.495 1.00 1.00 C ATOM 1193 OG SER A 74 -5.378 -15.725 -1.768 1.00 1.00 O ATOM 0 H SER A 74 -6.802 -12.329 0.462 1.00 1.00 H new ATOM 0 HA SER A 74 -7.145 -15.077 -0.107 1.00 1.00 H new ATOM 0 HB2 SER A 74 -6.238 -13.945 -2.319 1.00 1.00 H new ATOM 0 HB3 SER A 74 -4.739 -13.805 -1.424 1.00 1.00 H new ATOM 0 HG SER A 74 -4.873 -15.789 -2.606 1.00 1.00 H new ATOM 1199 N TRP A 75 -5.109 -13.063 1.531 1.00 1.00 N ATOM 1200 CA TRP A 75 -4.092 -12.880 2.554 1.00 1.00 C ATOM 1201 C TRP A 75 -2.814 -13.661 2.207 1.00 1.00 C ATOM 1202 O TRP A 75 -2.623 -14.052 1.054 1.00 1.00 O ATOM 1203 CB TRP A 75 -4.706 -13.125 3.941 1.00 1.00 C ATOM 1204 CG TRP A 75 -5.810 -12.179 4.330 1.00 1.00 C ATOM 1205 CD1 TRP A 75 -6.991 -12.026 3.691 1.00 1.00 C ATOM 1206 CD2 TRP A 75 -5.863 -11.243 5.446 1.00 1.00 C ATOM 1207 NE1 TRP A 75 -7.743 -11.042 4.292 1.00 1.00 N ATOM 1208 CE2 TRP A 75 -7.104 -10.542 5.405 1.00 1.00 C ATOM 1209 CE3 TRP A 75 -4.977 -10.909 6.488 1.00 1.00 C ATOM 1210 CZ2 TRP A 75 -7.439 -9.559 6.350 1.00 1.00 C ATOM 1211 CZ3 TRP A 75 -5.330 -9.975 7.481 1.00 1.00 C ATOM 1212 CH2 TRP A 75 -6.557 -9.293 7.408 1.00 1.00 C ATOM 0 H TRP A 75 -5.499 -12.177 1.210 1.00 1.00 H new ATOM 0 HA TRP A 75 -3.744 -11.848 2.589 1.00 1.00 H new ATOM 0 HB2 TRP A 75 -5.093 -14.143 3.974 1.00 1.00 H new ATOM 0 HB3 TRP A 75 -3.914 -13.061 4.688 1.00 1.00 H new ATOM 0 HD1 TRP A 75 -7.302 -12.597 2.828 1.00 1.00 H new ATOM 0 HE1 TRP A 75 -8.653 -10.725 3.957 1.00 1.00 H new ATOM 0 HE3 TRP A 75 -4.006 -11.379 6.527 1.00 1.00 H new ATOM 0 HZ2 TRP A 75 -8.367 -9.013 6.263 1.00 1.00 H new ATOM 0 HZ3 TRP A 75 -4.655 -9.782 8.302 1.00 1.00 H new ATOM 0 HH2 TRP A 75 -6.820 -8.567 8.163 1.00 1.00 H new ATOM 1223 N GLN A 76 -1.858 -13.756 3.132 1.00 1.00 N ATOM 1224 CA GLN A 76 -0.537 -14.321 2.878 1.00 1.00 C ATOM 1225 C GLN A 76 -0.113 -15.153 4.086 1.00 1.00 C ATOM 1226 O GLN A 76 -0.208 -16.382 4.079 1.00 1.00 O ATOM 1227 CB GLN A 76 0.449 -13.211 2.526 1.00 1.00 C ATOM 1228 CG GLN A 76 0.129 -12.656 1.130 1.00 1.00 C ATOM 1229 CD GLN A 76 1.356 -11.959 0.619 1.00 1.00 C ATOM 1230 OE1 GLN A 76 2.242 -12.597 0.063 1.00 1.00 O ATOM 1231 NE2 GLN A 76 1.489 -10.686 0.915 1.00 1.00 N ATOM 0 H GLN A 76 -1.984 -13.437 4.093 1.00 1.00 H new ATOM 0 HA GLN A 76 -0.559 -14.989 2.017 1.00 1.00 H new ATOM 0 HB2 GLN A 76 0.392 -12.413 3.267 1.00 1.00 H new ATOM 0 HB3 GLN A 76 1.468 -13.596 2.550 1.00 1.00 H new ATOM 0 HG2 GLN A 76 -0.161 -13.462 0.456 1.00 1.00 H new ATOM 0 HG3 GLN A 76 -0.711 -11.963 1.178 1.00 1.00 H new ATOM 0 HE21 GLN A 76 0.729 -10.188 1.378 1.00 1.00 H new ATOM 0 HE22 GLN A 76 2.352 -10.196 0.681 1.00 1.00 H new ATOM 1240 N GLY A 77 0.328 -14.473 5.137 1.00 1.00 N ATOM 1241 CA GLY A 77 0.602 -14.992 6.452 1.00 1.00 C ATOM 1242 C GLY A 77 1.880 -14.321 6.895 1.00 1.00 C ATOM 1243 O GLY A 77 1.849 -13.363 7.658 1.00 1.00 O ATOM 0 H GLY A 77 0.514 -13.472 5.078 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -0.215 -14.771 7.139 1.00 1.00 H new ATOM 0 HA3 GLY A 77 0.716 -16.076 6.430 1.00 1.00 H new ATOM 1247 N GLU A 78 2.982 -14.780 6.324 1.00 1.00 N ATOM 1248 CA GLU A 78 4.358 -14.441 6.632 1.00 1.00 C ATOM 1249 C GLU A 78 5.181 -14.727 5.375 1.00 1.00 C ATOM 1250 O GLU A 78 4.784 -15.580 4.576 1.00 1.00 O ATOM 1251 CB GLU A 78 4.812 -15.375 7.761 1.00 1.00 C ATOM 1252 CG GLU A 78 4.619 -14.738 9.146 1.00 1.00 C ATOM 1253 CD GLU A 78 4.466 -15.767 10.262 1.00 1.00 C ATOM 1254 OE1 GLU A 78 3.648 -16.705 10.109 1.00 1.00 O ATOM 1255 OE2 GLU A 78 5.039 -15.564 11.357 1.00 1.00 O ATOM 0 H GLU A 78 2.929 -15.460 5.566 1.00 1.00 H new ATOM 0 HA GLU A 78 4.474 -13.400 6.934 1.00 1.00 H new ATOM 0 HB2 GLU A 78 4.250 -16.307 7.709 1.00 1.00 H new ATOM 0 HB3 GLU A 78 5.863 -15.629 7.622 1.00 1.00 H new ATOM 0 HG2 GLU A 78 5.472 -14.096 9.366 1.00 1.00 H new ATOM 0 HG3 GLU A 78 3.736 -14.099 9.126 1.00 1.00 H new ATOM 1262 N GLN A 79 6.322 -14.045 5.228 1.00 1.00 N ATOM 1263 CA GLN A 79 7.347 -14.184 4.191 1.00 1.00 C ATOM 1264 C GLN A 79 6.786 -14.594 2.823 1.00 1.00 C ATOM 1265 O GLN A 79 7.312 -15.487 2.164 1.00 1.00 O ATOM 1266 CB GLN A 79 8.516 -15.053 4.705 1.00 1.00 C ATOM 1267 CG GLN A 79 9.875 -14.563 4.161 1.00 1.00 C ATOM 1268 CD GLN A 79 10.643 -15.553 3.290 1.00 1.00 C ATOM 1269 OE1 GLN A 79 11.845 -15.731 3.469 1.00 1.00 O ATOM 1270 NE2 GLN A 79 10.028 -16.155 2.295 1.00 1.00 N ATOM 0 H GLN A 79 6.573 -13.315 5.894 1.00 1.00 H new ATOM 0 HA GLN A 79 7.762 -13.196 3.990 1.00 1.00 H new ATOM 0 HB2 GLN A 79 8.532 -15.033 5.795 1.00 1.00 H new ATOM 0 HB3 GLN A 79 8.357 -16.089 4.407 1.00 1.00 H new ATOM 0 HG2 GLN A 79 9.706 -13.655 3.582 1.00 1.00 H new ATOM 0 HG3 GLN A 79 10.505 -14.289 5.007 1.00 1.00 H new ATOM 0 HE21 GLN A 79 9.030 -16.006 2.148 1.00 1.00 H new ATOM 0 HE22 GLN A 79 10.549 -16.771 1.671 1.00 1.00 H new ATOM 1279 N ARG A 80 5.761 -13.860 2.393 1.00 1.00 N ATOM 1280 CA ARG A 80 4.867 -14.013 1.254 1.00 1.00 C ATOM 1281 C ARG A 80 4.236 -15.388 1.066 1.00 1.00 C ATOM 1282 O ARG A 80 4.838 -16.434 1.309 1.00 1.00 O ATOM 1283 CB ARG A 80 5.501 -13.514 -0.060 1.00 1.00 C ATOM 1284 CG ARG A 80 6.592 -14.426 -0.662 1.00 1.00 C ATOM 1285 CD ARG A 80 6.978 -14.085 -2.109 1.00 1.00 C ATOM 1286 NE ARG A 80 6.133 -14.791 -3.088 1.00 1.00 N ATOM 1287 CZ ARG A 80 6.392 -14.919 -4.395 1.00 1.00 C ATOM 1288 NH1 ARG A 80 7.449 -14.325 -4.942 1.00 1.00 N ATOM 1289 NH2 ARG A 80 5.591 -15.645 -5.162 1.00 1.00 N ATOM 0 H ARG A 80 5.506 -13.023 2.916 1.00 1.00 H new ATOM 0 HA ARG A 80 4.031 -13.366 1.518 1.00 1.00 H new ATOM 0 HB2 ARG A 80 4.710 -13.387 -0.799 1.00 1.00 H new ATOM 0 HB3 ARG A 80 5.933 -12.529 0.117 1.00 1.00 H new ATOM 0 HG2 ARG A 80 7.483 -14.366 -0.038 1.00 1.00 H new ATOM 0 HG3 ARG A 80 6.246 -15.459 -0.625 1.00 1.00 H new ATOM 0 HD2 ARG A 80 6.890 -13.010 -2.264 1.00 1.00 H new ATOM 0 HD3 ARG A 80 8.023 -14.347 -2.277 1.00 1.00 H new ATOM 0 HE ARG A 80 5.276 -15.220 -2.739 1.00 1.00 H new ATOM 0 HH11 ARG A 80 8.074 -13.763 -4.364 1.00 1.00 H new ATOM 0 HH12 ARG A 80 7.634 -14.431 -5.939 1.00 1.00 H new ATOM 0 HH21 ARG A 80 4.777 -16.106 -4.756 1.00 1.00 H new ATOM 0 HH22 ARG A 80 5.789 -15.742 -6.158 1.00 1.00 H new ATOM 1303 N GLN A 81 3.023 -15.365 0.517 1.00 1.00 N ATOM 1304 CA GLN A 81 2.446 -16.510 -0.161 1.00 1.00 C ATOM 1305 C GLN A 81 2.808 -16.200 -1.616 1.00 1.00 C ATOM 1306 O GLN A 81 3.991 -16.275 -1.955 1.00 1.00 O ATOM 1307 CB GLN A 81 0.960 -16.671 0.209 1.00 1.00 C ATOM 1308 CG GLN A 81 0.317 -17.952 -0.354 1.00 1.00 C ATOM 1309 CD GLN A 81 -0.098 -17.811 -1.814 1.00 1.00 C ATOM 1310 OE1 GLN A 81 -0.859 -16.909 -2.154 1.00 1.00 O ATOM 1311 NE2 GLN A 81 0.456 -18.605 -2.708 1.00 1.00 N ATOM 0 H GLN A 81 2.415 -14.546 0.533 1.00 1.00 H new ATOM 0 HA GLN A 81 2.815 -17.499 0.109 1.00 1.00 H new ATOM 0 HB2 GLN A 81 0.863 -16.674 1.295 1.00 1.00 H new ATOM 0 HB3 GLN A 81 0.408 -15.806 -0.158 1.00 1.00 H new ATOM 0 HG2 GLN A 81 1.021 -18.779 -0.259 1.00 1.00 H new ATOM 0 HG3 GLN A 81 -0.557 -18.208 0.245 1.00 1.00 H new ATOM 0 HE21 GLN A 81 1.086 -19.349 -2.408 1.00 1.00 H new ATOM 0 HE22 GLN A 81 0.255 -18.475 -3.700 1.00 1.00 H new ATOM 1320 N THR A 82 1.878 -15.701 -2.423 1.00 1.00 N ATOM 1321 CA THR A 82 2.121 -15.124 -3.732 1.00 1.00 C ATOM 1322 C THR A 82 1.082 -14.013 -3.895 1.00 1.00 C ATOM 1323 O THR A 82 -0.077 -14.314 -4.193 1.00 1.00 O ATOM 1324 CB THR A 82 2.051 -16.210 -4.820 1.00 1.00 C ATOM 1325 OG1 THR A 82 3.168 -17.061 -4.653 1.00 1.00 O ATOM 1326 CG2 THR A 82 2.142 -15.620 -6.230 1.00 1.00 C ATOM 0 H THR A 82 0.891 -15.689 -2.167 1.00 1.00 H new ATOM 0 HA THR A 82 3.121 -14.701 -3.831 1.00 1.00 H new ATOM 0 HB THR A 82 1.099 -16.731 -4.718 1.00 1.00 H new ATOM 0 HG1 THR A 82 3.147 -17.765 -5.334 1.00 1.00 H new ATOM 0 HG21 THR A 82 2.088 -16.423 -6.965 1.00 1.00 H new ATOM 0 HG22 THR A 82 1.315 -14.927 -6.389 1.00 1.00 H new ATOM 0 HG23 THR A 82 3.087 -15.089 -6.342 1.00 1.00 H new ATOM 1334 N PRO A 83 1.439 -12.747 -3.616 1.00 1.00 N ATOM 1335 CA PRO A 83 0.612 -11.597 -3.947 1.00 1.00 C ATOM 1336 C PRO A 83 0.793 -11.300 -5.447 1.00 1.00 C ATOM 1337 O PRO A 83 1.281 -12.155 -6.197 1.00 1.00 O ATOM 1338 CB PRO A 83 1.125 -10.503 -3.008 1.00 1.00 C ATOM 1339 CG PRO A 83 2.626 -10.777 -2.952 1.00 1.00 C ATOM 1340 CD PRO A 83 2.743 -12.289 -3.152 1.00 1.00 C ATOM 0 HA PRO A 83 -0.462 -11.720 -3.807 1.00 1.00 H new ATOM 0 HB2 PRO A 83 0.910 -9.506 -3.394 1.00 1.00 H new ATOM 0 HB3 PRO A 83 0.665 -10.569 -2.022 1.00 1.00 H new ATOM 0 HG2 PRO A 83 3.159 -10.231 -3.730 1.00 1.00 H new ATOM 0 HG3 PRO A 83 3.051 -10.468 -1.997 1.00 1.00 H new ATOM 0 HD2 PRO A 83 3.519 -12.525 -3.880 1.00 1.00 H new ATOM 0 HD3 PRO A 83 3.019 -12.783 -2.221 1.00 1.00 H new ATOM 1348 N SER A 84 0.398 -10.120 -5.925 1.00 1.00 N ATOM 1349 CA SER A 84 0.700 -9.710 -7.281 1.00 1.00 C ATOM 1350 C SER A 84 2.107 -9.107 -7.288 1.00 1.00 C ATOM 1351 O SER A 84 2.607 -8.685 -6.246 1.00 1.00 O ATOM 1352 CB SER A 84 -0.345 -8.697 -7.758 1.00 1.00 C ATOM 1353 OG SER A 84 -1.581 -8.763 -7.044 1.00 1.00 O ATOM 0 H SER A 84 -0.132 -9.436 -5.386 1.00 1.00 H new ATOM 0 HA SER A 84 0.669 -10.560 -7.963 1.00 1.00 H new ATOM 0 HB2 SER A 84 0.066 -7.692 -7.661 1.00 1.00 H new ATOM 0 HB3 SER A 84 -0.539 -8.861 -8.818 1.00 1.00 H new ATOM 0 HG SER A 84 -1.780 -7.887 -6.652 1.00 1.00 H new ATOM 1359 N ARG A 85 2.706 -8.976 -8.464 1.00 1.00 N ATOM 1360 CA ARG A 85 4.111 -8.597 -8.639 1.00 1.00 C ATOM 1361 C ARG A 85 4.308 -7.122 -8.323 1.00 1.00 C ATOM 1362 O ARG A 85 5.361 -6.747 -7.819 1.00 1.00 O ATOM 1363 CB ARG A 85 4.516 -8.950 -10.082 1.00 1.00 C ATOM 1364 CG ARG A 85 5.988 -9.352 -10.172 1.00 1.00 C ATOM 1365 CD ARG A 85 6.395 -9.764 -11.588 1.00 1.00 C ATOM 1366 NE ARG A 85 6.546 -8.597 -12.468 1.00 1.00 N ATOM 1367 CZ ARG A 85 7.035 -8.601 -13.710 1.00 1.00 C ATOM 1368 NH1 ARG A 85 7.513 -9.698 -14.280 1.00 1.00 N ATOM 1369 NH2 ARG A 85 7.048 -7.469 -14.396 1.00 1.00 N ATOM 0 H ARG A 85 2.221 -9.133 -9.347 1.00 1.00 H new ATOM 0 HA ARG A 85 4.753 -9.143 -7.947 1.00 1.00 H new ATOM 0 HB2 ARG A 85 3.893 -9.767 -10.446 1.00 1.00 H new ATOM 0 HB3 ARG A 85 4.332 -8.094 -10.732 1.00 1.00 H new ATOM 0 HG2 ARG A 85 6.610 -8.518 -9.846 1.00 1.00 H new ATOM 0 HG3 ARG A 85 6.179 -10.178 -9.487 1.00 1.00 H new ATOM 0 HD2 ARG A 85 7.334 -10.317 -11.551 1.00 1.00 H new ATOM 0 HD3 ARG A 85 5.645 -10.438 -12.002 1.00 1.00 H new ATOM 0 HE ARG A 85 6.248 -7.696 -12.093 1.00 1.00 H new ATOM 0 HH11 ARG A 85 7.516 -10.580 -13.767 1.00 1.00 H new ATOM 0 HH12 ARG A 85 7.878 -9.661 -15.232 1.00 1.00 H new ATOM 0 HH21 ARG A 85 6.688 -6.613 -13.974 1.00 1.00 H new ATOM 0 HH22 ARG A 85 7.418 -7.453 -15.346 1.00 1.00 H new ATOM 1383 N GLU A 86 3.311 -6.275 -8.592 1.00 1.00 N ATOM 1384 CA GLU A 86 3.354 -4.890 -8.151 1.00 1.00 C ATOM 1385 C GLU A 86 3.075 -4.786 -6.656 1.00 1.00 C ATOM 1386 O GLU A 86 3.585 -3.862 -6.034 1.00 1.00 O ATOM 1387 CB GLU A 86 2.319 -4.044 -8.902 1.00 1.00 C ATOM 1388 CG GLU A 86 2.553 -2.543 -8.731 1.00 1.00 C ATOM 1389 CD GLU A 86 2.368 -1.768 -10.031 1.00 1.00 C ATOM 1390 OE1 GLU A 86 3.194 -1.957 -10.951 1.00 1.00 O ATOM 1391 OE2 GLU A 86 1.379 -1.004 -10.158 1.00 1.00 O ATOM 0 H GLU A 86 2.470 -6.528 -9.111 1.00 1.00 H new ATOM 0 HA GLU A 86 4.355 -4.515 -8.363 1.00 1.00 H new ATOM 0 HB2 GLU A 86 2.350 -4.295 -9.962 1.00 1.00 H new ATOM 0 HB3 GLU A 86 1.321 -4.296 -8.544 1.00 1.00 H new ATOM 0 HG2 GLU A 86 1.865 -2.155 -7.980 1.00 1.00 H new ATOM 0 HG3 GLU A 86 3.562 -2.377 -8.354 1.00 1.00 H new ATOM 1398 N TYR A 87 2.237 -5.679 -6.101 1.00 1.00 N ATOM 1399 CA TYR A 87 1.904 -5.656 -4.681 1.00 1.00 C ATOM 1400 C TYR A 87 3.213 -5.900 -3.938 1.00 1.00 C ATOM 1401 O TYR A 87 3.729 -4.985 -3.295 1.00 1.00 O ATOM 1402 CB TYR A 87 0.808 -6.667 -4.269 1.00 1.00 C ATOM 1403 CG TYR A 87 -0.655 -6.425 -4.648 1.00 1.00 C ATOM 1404 CD1 TYR A 87 -1.025 -5.646 -5.765 1.00 1.00 C ATOM 1405 CD2 TYR A 87 -1.669 -7.052 -3.886 1.00 1.00 C ATOM 1406 CE1 TYR A 87 -2.381 -5.501 -6.114 1.00 1.00 C ATOM 1407 CE2 TYR A 87 -3.031 -6.901 -4.223 1.00 1.00 C ATOM 1408 CZ TYR A 87 -3.387 -6.129 -5.347 1.00 1.00 C ATOM 1409 OH TYR A 87 -4.703 -6.011 -5.673 1.00 1.00 O ATOM 0 H TYR A 87 1.780 -6.426 -6.624 1.00 1.00 H new ATOM 0 HA TYR A 87 1.464 -4.692 -4.425 1.00 1.00 H new ATOM 0 HB2 TYR A 87 1.091 -7.635 -4.683 1.00 1.00 H new ATOM 0 HB3 TYR A 87 0.848 -6.760 -3.184 1.00 1.00 H new ATOM 0 HD1 TYR A 87 -0.263 -5.158 -6.355 1.00 1.00 H new ATOM 0 HD2 TYR A 87 -1.396 -7.656 -3.033 1.00 1.00 H new ATOM 0 HE1 TYR A 87 -2.654 -4.906 -6.973 1.00 1.00 H new ATOM 0 HE2 TYR A 87 -3.795 -7.374 -3.624 1.00 1.00 H new ATOM 0 HH TYR A 87 -4.791 -5.899 -6.643 1.00 1.00 H new ATOM 1419 N VAL A 88 3.769 -7.112 -4.062 1.00 1.00 N ATOM 1420 CA VAL A 88 5.133 -7.370 -3.637 1.00 1.00 C ATOM 1421 C VAL A 88 5.773 -8.429 -4.542 1.00 1.00 C ATOM 1422 O VAL A 88 5.135 -9.390 -4.959 1.00 1.00 O ATOM 1423 CB VAL A 88 5.160 -7.851 -2.168 1.00 1.00 C ATOM 1424 CG1 VAL A 88 6.590 -7.816 -1.608 1.00 1.00 C ATOM 1425 CG2 VAL A 88 4.302 -7.036 -1.189 1.00 1.00 C ATOM 0 H VAL A 88 3.289 -7.922 -4.454 1.00 1.00 H new ATOM 0 HA VAL A 88 5.701 -6.443 -3.713 1.00 1.00 H new ATOM 0 HB VAL A 88 4.747 -8.858 -2.228 1.00 1.00 H new ATOM 0 HG11 VAL A 88 6.584 -8.159 -0.573 1.00 1.00 H new ATOM 0 HG12 VAL A 88 7.230 -8.468 -2.203 1.00 1.00 H new ATOM 0 HG13 VAL A 88 6.972 -6.796 -1.650 1.00 1.00 H new ATOM 0 HG21 VAL A 88 4.393 -7.457 -0.188 1.00 1.00 H new ATOM 0 HG22 VAL A 88 4.644 -6.001 -1.179 1.00 1.00 H new ATOM 0 HG23 VAL A 88 3.259 -7.070 -1.504 1.00 1.00 H new ATOM 1435 N ASP A 89 7.092 -8.319 -4.670 1.00 1.00 N ATOM 1436 CA ASP A 89 8.034 -9.335 -5.124 1.00 1.00 C ATOM 1437 C ASP A 89 8.004 -9.544 -6.638 1.00 1.00 C ATOM 1438 O ASP A 89 7.153 -10.206 -7.220 1.00 1.00 O ATOM 1439 CB ASP A 89 7.966 -10.639 -4.316 1.00 1.00 C ATOM 1440 CG ASP A 89 9.309 -11.369 -4.309 1.00 1.00 C ATOM 1441 OD1 ASP A 89 10.374 -10.753 -4.554 1.00 1.00 O ATOM 1442 OD2 ASP A 89 9.328 -12.552 -3.904 1.00 1.00 O ATOM 0 H ASP A 89 7.567 -7.446 -4.440 1.00 1.00 H new ATOM 0 HA ASP A 89 9.024 -8.932 -4.911 1.00 1.00 H new ATOM 0 HB2 ASP A 89 7.667 -10.417 -3.292 1.00 1.00 H new ATOM 0 HB3 ASP A 89 7.200 -11.290 -4.738 1.00 1.00 H new ATOM 1447 N LEU A 90 8.985 -8.884 -7.233 1.00 1.00 N ATOM 1448 CA LEU A 90 9.232 -8.404 -8.591 1.00 1.00 C ATOM 1449 C LEU A 90 10.722 -8.557 -8.930 1.00 1.00 C ATOM 1450 O LEU A 90 11.302 -7.732 -9.640 1.00 1.00 O ATOM 1451 CB LEU A 90 8.818 -6.917 -8.655 1.00 1.00 C ATOM 1452 CG LEU A 90 9.373 -6.110 -7.453 1.00 1.00 C ATOM 1453 CD1 LEU A 90 10.259 -4.946 -7.861 1.00 1.00 C ATOM 1454 CD2 LEU A 90 8.228 -5.665 -6.546 1.00 1.00 C ATOM 0 H LEU A 90 9.784 -8.622 -6.656 1.00 1.00 H new ATOM 0 HA LEU A 90 8.655 -8.982 -9.313 1.00 1.00 H new ATOM 0 HB2 LEU A 90 9.181 -6.479 -9.585 1.00 1.00 H new ATOM 0 HB3 LEU A 90 7.731 -6.843 -8.671 1.00 1.00 H new ATOM 0 HG LEU A 90 10.026 -6.779 -6.893 1.00 1.00 H new ATOM 0 HD11 LEU A 90 10.611 -4.427 -6.970 1.00 1.00 H new ATOM 0 HD12 LEU A 90 11.114 -5.320 -8.425 1.00 1.00 H new ATOM 0 HD13 LEU A 90 9.689 -4.255 -8.482 1.00 1.00 H new ATOM 0 HD21 LEU A 90 8.629 -5.099 -5.705 1.00 1.00 H new ATOM 0 HD22 LEU A 90 7.539 -5.037 -7.111 1.00 1.00 H new ATOM 0 HD23 LEU A 90 7.697 -6.541 -6.174 1.00 1.00 H new ATOM 1466 N GLU A 91 11.376 -9.540 -8.309 1.00 1.00 N ATOM 1467 CA GLU A 91 12.779 -9.940 -8.390 1.00 1.00 C ATOM 1468 C GLU A 91 13.774 -8.903 -7.845 1.00 1.00 C ATOM 1469 O GLU A 91 14.908 -9.270 -7.529 1.00 1.00 O ATOM 1470 CB GLU A 91 13.094 -10.359 -9.831 1.00 1.00 C ATOM 1471 CG GLU A 91 14.332 -11.257 -9.922 1.00 1.00 C ATOM 1472 CD GLU A 91 14.466 -11.846 -11.320 1.00 1.00 C ATOM 1473 OE1 GLU A 91 14.982 -11.142 -12.214 1.00 1.00 O ATOM 1474 OE2 GLU A 91 14.046 -13.004 -11.537 1.00 1.00 O ATOM 0 H GLU A 91 10.873 -10.146 -7.660 1.00 1.00 H new ATOM 0 HA GLU A 91 12.914 -10.791 -7.722 1.00 1.00 H new ATOM 0 HB2 GLU A 91 12.236 -10.885 -10.249 1.00 1.00 H new ATOM 0 HB3 GLU A 91 13.249 -9.468 -10.440 1.00 1.00 H new ATOM 0 HG2 GLU A 91 15.224 -10.681 -9.677 1.00 1.00 H new ATOM 0 HG3 GLU A 91 14.260 -12.060 -9.189 1.00 1.00 H new ATOM 1481 N ARG A 92 13.321 -7.657 -7.665 1.00 1.00 N ATOM 1482 CA ARG A 92 14.018 -6.379 -7.450 1.00 1.00 C ATOM 1483 C ARG A 92 14.030 -5.721 -8.824 1.00 1.00 C ATOM 1484 O ARG A 92 14.470 -6.350 -9.789 1.00 1.00 O ATOM 1485 CB ARG A 92 15.457 -6.511 -6.912 1.00 1.00 C ATOM 1486 CG ARG A 92 16.027 -5.239 -6.269 1.00 1.00 C ATOM 1487 CD ARG A 92 16.455 -5.541 -4.821 1.00 1.00 C ATOM 1488 NE ARG A 92 16.975 -4.360 -4.132 1.00 1.00 N ATOM 1489 CZ ARG A 92 18.232 -3.909 -4.214 1.00 1.00 C ATOM 1490 NH1 ARG A 92 19.127 -4.532 -4.967 1.00 1.00 N ATOM 1491 NH2 ARG A 92 18.579 -2.803 -3.572 1.00 1.00 N ATOM 0 H ARG A 92 12.313 -7.499 -7.667 1.00 1.00 H new ATOM 0 HA ARG A 92 13.503 -5.804 -6.680 1.00 1.00 H new ATOM 0 HB2 ARG A 92 15.482 -7.315 -6.176 1.00 1.00 H new ATOM 0 HB3 ARG A 92 16.110 -6.810 -7.732 1.00 1.00 H new ATOM 0 HG2 ARG A 92 16.880 -4.880 -6.844 1.00 1.00 H new ATOM 0 HG3 ARG A 92 15.279 -4.447 -6.280 1.00 1.00 H new ATOM 0 HD2 ARG A 92 15.602 -5.934 -4.268 1.00 1.00 H new ATOM 0 HD3 ARG A 92 17.218 -6.320 -4.826 1.00 1.00 H new ATOM 0 HE ARG A 92 16.327 -3.838 -3.542 1.00 1.00 H new ATOM 0 HH11 ARG A 92 18.861 -5.365 -5.492 1.00 1.00 H new ATOM 0 HH12 ARG A 92 20.082 -4.179 -5.022 1.00 1.00 H new ATOM 0 HH21 ARG A 92 17.888 -2.298 -3.017 1.00 1.00 H new ATOM 0 HH22 ARG A 92 19.537 -2.457 -3.633 1.00 1.00 H new ATOM 1505 N GLU A 93 13.479 -4.516 -8.949 1.00 1.00 N ATOM 1506 CA GLU A 93 13.423 -3.843 -10.221 1.00 1.00 C ATOM 1507 C GLU A 93 14.696 -3.009 -10.356 1.00 1.00 C ATOM 1508 O GLU A 93 15.551 -2.980 -9.464 1.00 1.00 O ATOM 1509 CB GLU A 93 12.134 -3.004 -10.336 1.00 1.00 C ATOM 1510 CG GLU A 93 11.168 -3.532 -11.403 1.00 1.00 C ATOM 1511 CD GLU A 93 11.820 -3.742 -12.765 1.00 1.00 C ATOM 1512 OE1 GLU A 93 12.597 -2.870 -13.203 1.00 1.00 O ATOM 1513 OE2 GLU A 93 11.571 -4.819 -13.356 1.00 1.00 O ATOM 0 H GLU A 93 13.067 -3.994 -8.176 1.00 1.00 H new ATOM 0 HA GLU A 93 13.381 -4.555 -11.045 1.00 1.00 H new ATOM 0 HB2 GLU A 93 11.628 -2.991 -9.371 1.00 1.00 H new ATOM 0 HB3 GLU A 93 12.398 -1.973 -10.571 1.00 1.00 H new ATOM 0 HG2 GLU A 93 10.745 -4.477 -11.062 1.00 1.00 H new ATOM 0 HG3 GLU A 93 10.340 -2.832 -11.510 1.00 1.00 H new ATOM 1520 N ALA A 94 14.820 -2.331 -11.490 1.00 1.00 N ATOM 1521 CA ALA A 94 15.972 -1.516 -11.810 1.00 1.00 C ATOM 1522 C ALA A 94 15.981 -0.279 -10.931 1.00 1.00 C ATOM 1523 O ALA A 94 15.305 0.706 -11.220 1.00 1.00 O ATOM 1524 CB ALA A 94 15.981 -1.158 -13.295 1.00 1.00 C ATOM 0 H ALA A 94 14.109 -2.336 -12.221 1.00 1.00 H new ATOM 0 HA ALA A 94 16.883 -2.081 -11.611 1.00 1.00 H new ATOM 0 HB1 ALA A 94 16.855 -0.545 -13.516 1.00 1.00 H new ATOM 0 HB2 ALA A 94 16.019 -2.071 -13.889 1.00 1.00 H new ATOM 0 HB3 ALA A 94 15.076 -0.602 -13.541 1.00 1.00 H new ATOM 1530 N GLY A 95 16.732 -0.339 -9.839 1.00 1.00 N ATOM 1531 CA GLY A 95 16.972 0.772 -8.938 1.00 1.00 C ATOM 1532 C GLY A 95 15.763 1.210 -8.120 1.00 1.00 C ATOM 1533 O GLY A 95 15.925 2.005 -7.202 1.00 1.00 O ATOM 0 H GLY A 95 17.206 -1.195 -9.549 1.00 1.00 H new ATOM 0 HA2 GLY A 95 17.775 0.498 -8.254 1.00 1.00 H new ATOM 0 HA3 GLY A 95 17.325 1.623 -9.520 1.00 1.00 H new ATOM 1537 N LYS A 96 14.573 0.665 -8.366 1.00 1.00 N ATOM 1538 CA LYS A 96 13.386 0.854 -7.547 1.00 1.00 C ATOM 1539 C LYS A 96 12.762 -0.497 -7.231 1.00 1.00 C ATOM 1540 O LYS A 96 13.026 -1.489 -7.907 1.00 1.00 O ATOM 1541 CB LYS A 96 12.433 1.877 -8.197 1.00 1.00 C ATOM 1542 CG LYS A 96 12.210 1.662 -9.693 1.00 1.00 C ATOM 1543 CD LYS A 96 11.046 2.441 -10.322 1.00 1.00 C ATOM 1544 CE LYS A 96 11.320 3.918 -10.640 1.00 1.00 C ATOM 1545 NZ LYS A 96 12.049 4.085 -11.916 1.00 1.00 N ATOM 0 H LYS A 96 14.407 0.059 -9.170 1.00 1.00 H new ATOM 0 HA LYS A 96 13.649 1.293 -6.585 1.00 1.00 H new ATOM 0 HB2 LYS A 96 11.470 1.835 -7.688 1.00 1.00 H new ATOM 0 HB3 LYS A 96 12.832 2.879 -8.041 1.00 1.00 H new ATOM 0 HG2 LYS A 96 13.126 1.931 -10.218 1.00 1.00 H new ATOM 0 HG3 LYS A 96 12.044 0.599 -9.866 1.00 1.00 H new ATOM 0 HD2 LYS A 96 10.755 1.939 -11.245 1.00 1.00 H new ATOM 0 HD3 LYS A 96 10.192 2.387 -9.647 1.00 1.00 H new ATOM 0 HE2 LYS A 96 10.375 4.459 -10.689 1.00 1.00 H new ATOM 0 HE3 LYS A 96 11.900 4.361 -9.831 1.00 1.00 H new ATOM 0 HZ1 LYS A 96 12.213 5.097 -12.092 1.00 1.00 H new ATOM 0 HZ2 LYS A 96 12.962 3.590 -11.861 1.00 1.00 H new ATOM 0 HZ3 LYS A 96 11.485 3.685 -12.693 1.00 1.00 H new ATOM 1559 N VAL A 97 11.942 -0.545 -6.190 1.00 1.00 N ATOM 1560 CA VAL A 97 10.949 -1.606 -6.012 1.00 1.00 C ATOM 1561 C VAL A 97 9.608 -1.032 -6.460 1.00 1.00 C ATOM 1562 O VAL A 97 9.397 0.177 -6.362 1.00 1.00 O ATOM 1563 CB VAL A 97 10.941 -2.165 -4.567 1.00 1.00 C ATOM 1564 CG1 VAL A 97 10.206 -1.313 -3.542 1.00 1.00 C ATOM 1565 CG2 VAL A 97 10.299 -3.553 -4.463 1.00 1.00 C ATOM 0 H VAL A 97 11.943 0.149 -5.442 1.00 1.00 H new ATOM 0 HA VAL A 97 11.191 -2.477 -6.621 1.00 1.00 H new ATOM 0 HB VAL A 97 12.007 -2.183 -4.340 1.00 1.00 H new ATOM 0 HG11 VAL A 97 10.260 -1.792 -2.565 1.00 1.00 H new ATOM 0 HG12 VAL A 97 10.669 -0.328 -3.489 1.00 1.00 H new ATOM 0 HG13 VAL A 97 9.162 -1.208 -3.838 1.00 1.00 H new ATOM 0 HG21 VAL A 97 10.324 -3.889 -3.426 1.00 1.00 H new ATOM 0 HG22 VAL A 97 9.265 -3.502 -4.803 1.00 1.00 H new ATOM 0 HG23 VAL A 97 10.851 -4.257 -5.086 1.00 1.00 H new ATOM 1575 N TYR A 98 8.697 -1.884 -6.920 1.00 1.00 N ATOM 1576 CA TYR A 98 7.327 -1.524 -7.207 1.00 1.00 C ATOM 1577 C TYR A 98 6.527 -1.990 -6.010 1.00 1.00 C ATOM 1578 O TYR A 98 6.909 -2.969 -5.364 1.00 1.00 O ATOM 1579 CB TYR A 98 6.918 -2.170 -8.527 1.00 1.00 C ATOM 1580 CG TYR A 98 7.412 -1.355 -9.705 1.00 1.00 C ATOM 1581 CD1 TYR A 98 8.794 -1.224 -9.934 1.00 1.00 C ATOM 1582 CD2 TYR A 98 6.504 -0.639 -10.505 1.00 1.00 C ATOM 1583 CE1 TYR A 98 9.276 -0.374 -10.936 1.00 1.00 C ATOM 1584 CE2 TYR A 98 6.976 0.185 -11.540 1.00 1.00 C ATOM 1585 CZ TYR A 98 8.366 0.319 -11.766 1.00 1.00 C ATOM 1586 OH TYR A 98 8.828 1.115 -12.767 1.00 1.00 O ATOM 0 H TYR A 98 8.904 -2.866 -7.105 1.00 1.00 H new ATOM 0 HA TYR A 98 7.162 -0.455 -7.342 1.00 1.00 H new ATOM 0 HB2 TYR A 98 7.324 -3.180 -8.583 1.00 1.00 H new ATOM 0 HB3 TYR A 98 5.833 -2.260 -8.571 1.00 1.00 H new ATOM 0 HD1 TYR A 98 9.491 -1.786 -9.330 1.00 1.00 H new ATOM 0 HD2 TYR A 98 5.443 -0.723 -10.323 1.00 1.00 H new ATOM 0 HE1 TYR A 98 10.340 -0.248 -11.074 1.00 1.00 H new ATOM 0 HE2 TYR A 98 6.275 0.718 -12.165 1.00 1.00 H new ATOM 0 HH TYR A 98 8.070 1.516 -13.242 1.00 1.00 H new ATOM 1596 N LEU A 99 5.528 -1.205 -5.628 1.00 1.00 N ATOM 1597 CA LEU A 99 4.995 -1.288 -4.286 1.00 1.00 C ATOM 1598 C LEU A 99 3.523 -0.923 -4.370 1.00 1.00 C ATOM 1599 O LEU A 99 3.130 0.034 -5.037 1.00 1.00 O ATOM 1600 CB LEU A 99 5.855 -0.358 -3.393 1.00 1.00 C ATOM 1601 CG LEU A 99 6.189 -0.869 -1.980 1.00 1.00 C ATOM 1602 CD1 LEU A 99 5.014 -0.716 -1.021 1.00 1.00 C ATOM 1603 CD2 LEU A 99 6.715 -2.310 -1.965 1.00 1.00 C ATOM 0 H LEU A 99 5.078 -0.512 -6.226 1.00 1.00 H new ATOM 0 HA LEU A 99 5.045 -2.280 -3.836 1.00 1.00 H new ATOM 0 HB2 LEU A 99 6.792 -0.159 -3.913 1.00 1.00 H new ATOM 0 HB3 LEU A 99 5.336 0.595 -3.296 1.00 1.00 H new ATOM 0 HG LEU A 99 7.000 -0.231 -1.629 1.00 1.00 H new ATOM 0 HD11 LEU A 99 5.297 -1.090 -0.037 1.00 1.00 H new ATOM 0 HD12 LEU A 99 4.741 0.337 -0.945 1.00 1.00 H new ATOM 0 HD13 LEU A 99 4.163 -1.285 -1.395 1.00 1.00 H new ATOM 0 HD21 LEU A 99 6.931 -2.608 -0.939 1.00 1.00 H new ATOM 0 HD22 LEU A 99 5.962 -2.977 -2.386 1.00 1.00 H new ATOM 0 HD23 LEU A 99 7.626 -2.371 -2.560 1.00 1.00 H new ATOM 1615 N LYS A 100 2.682 -1.702 -3.715 1.00 1.00 N ATOM 1616 CA LYS A 100 1.235 -1.616 -3.840 1.00 1.00 C ATOM 1617 C LYS A 100 0.691 -2.404 -2.676 1.00 1.00 C ATOM 1618 O LYS A 100 1.238 -3.453 -2.348 1.00 1.00 O ATOM 1619 CB LYS A 100 0.722 -2.224 -5.176 1.00 1.00 C ATOM 1620 CG LYS A 100 -0.065 -1.230 -6.039 1.00 1.00 C ATOM 1621 CD LYS A 100 -1.275 -1.804 -6.783 1.00 1.00 C ATOM 1622 CE LYS A 100 -1.064 -2.438 -8.155 1.00 1.00 C ATOM 1623 NZ LYS A 100 -1.235 -1.442 -9.239 1.00 1.00 N ATOM 0 H LYS A 100 2.990 -2.428 -3.068 1.00 1.00 H new ATOM 0 HA LYS A 100 0.910 -0.576 -3.839 1.00 1.00 H new ATOM 0 HB2 LYS A 100 1.573 -2.595 -5.748 1.00 1.00 H new ATOM 0 HB3 LYS A 100 0.088 -3.083 -4.955 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -0.408 -0.416 -5.401 1.00 1.00 H new ATOM 0 HG3 LYS A 100 0.615 -0.796 -6.772 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -1.732 -2.556 -6.139 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -2.002 -1.000 -6.900 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -0.065 -2.870 -8.209 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -1.772 -3.255 -8.294 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -1.714 -1.888 -10.047 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -1.808 -0.647 -8.892 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -0.303 -1.092 -9.539 1.00 1.00 H new ATOM 1637 N ALA A 101 -0.396 -1.952 -2.076 1.00 1.00 N ATOM 1638 CA ALA A 101 -1.112 -2.807 -1.142 1.00 1.00 C ATOM 1639 C ALA A 101 -2.600 -2.470 -1.235 1.00 1.00 C ATOM 1640 O ALA A 101 -2.943 -1.288 -1.311 1.00 1.00 O ATOM 1641 CB ALA A 101 -0.528 -2.695 0.281 1.00 1.00 C ATOM 0 H ALA A 101 -0.795 -1.023 -2.212 1.00 1.00 H new ATOM 0 HA ALA A 101 -0.990 -3.858 -1.404 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -1.085 -3.346 0.955 1.00 1.00 H new ATOM 0 HB2 ALA A 101 0.520 -2.996 0.269 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -0.605 -1.664 0.626 1.00 1.00 H new ATOM 1647 N PRO A 102 -3.489 -3.472 -1.283 1.00 1.00 N ATOM 1648 CA PRO A 102 -4.914 -3.249 -1.143 1.00 1.00 C ATOM 1649 C PRO A 102 -5.198 -2.910 0.315 1.00 1.00 C ATOM 1650 O PRO A 102 -4.591 -3.460 1.237 1.00 1.00 O ATOM 1651 CB PRO A 102 -5.579 -4.550 -1.579 1.00 1.00 C ATOM 1652 CG PRO A 102 -4.551 -5.591 -1.143 1.00 1.00 C ATOM 1653 CD PRO A 102 -3.207 -4.895 -1.342 1.00 1.00 C ATOM 0 HA PRO A 102 -5.293 -2.424 -1.747 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -6.543 -4.699 -1.092 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -5.757 -4.577 -2.654 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -4.698 -5.885 -0.104 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -4.623 -6.498 -1.744 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -2.497 -5.186 -0.568 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -2.763 -5.167 -2.300 1.00 1.00 H new ATOM 1661 N MET A 103 -6.115 -1.980 0.519 1.00 1.00 N ATOM 1662 CA MET A 103 -6.390 -1.375 1.795 1.00 1.00 C ATOM 1663 C MET A 103 -7.875 -1.453 2.067 1.00 1.00 C ATOM 1664 O MET A 103 -8.676 -1.617 1.155 1.00 1.00 O ATOM 1665 CB MET A 103 -5.990 0.100 1.746 1.00 1.00 C ATOM 1666 CG MET A 103 -4.695 0.415 0.991 1.00 1.00 C ATOM 1667 SD MET A 103 -3.202 -0.203 1.798 1.00 1.00 S ATOM 1668 CE MET A 103 -3.186 0.962 3.167 1.00 1.00 C ATOM 0 H MET A 103 -6.705 -1.618 -0.230 1.00 1.00 H new ATOM 0 HA MET A 103 -5.832 -1.894 2.574 1.00 1.00 H new ATOM 0 HB2 MET A 103 -6.803 0.662 1.286 1.00 1.00 H new ATOM 0 HB3 MET A 103 -5.890 0.464 2.769 1.00 1.00 H new ATOM 0 HG2 MET A 103 -4.757 -0.012 -0.010 1.00 1.00 H new ATOM 0 HG3 MET A 103 -4.610 1.495 0.872 1.00 1.00 H new ATOM 0 HE1 MET A 103 -2.249 0.866 3.716 1.00 1.00 H new ATOM 0 HE2 MET A 103 -3.278 1.977 2.782 1.00 1.00 H new ATOM 0 HE3 MET A 103 -4.021 0.750 3.835 1.00 1.00 H new ATOM 1678 N ILE A 104 -8.241 -1.230 3.323 1.00 1.00 N ATOM 1679 CA ILE A 104 -9.607 -0.986 3.737 1.00 1.00 C ATOM 1680 C ILE A 104 -9.458 0.142 4.752 1.00 1.00 C ATOM 1681 O ILE A 104 -9.071 -0.109 5.896 1.00 1.00 O ATOM 1682 CB ILE A 104 -10.273 -2.275 4.278 1.00 1.00 C ATOM 1683 CG1 ILE A 104 -10.294 -3.396 3.212 1.00 1.00 C ATOM 1684 CG2 ILE A 104 -11.711 -1.962 4.727 1.00 1.00 C ATOM 1685 CD1 ILE A 104 -10.693 -4.766 3.759 1.00 1.00 C ATOM 0 H ILE A 104 -7.576 -1.215 4.097 1.00 1.00 H new ATOM 0 HA ILE A 104 -10.282 -0.697 2.931 1.00 1.00 H new ATOM 0 HB ILE A 104 -9.685 -2.628 5.125 1.00 1.00 H new ATOM 0 HG12 ILE A 104 -10.988 -3.117 2.419 1.00 1.00 H new ATOM 0 HG13 ILE A 104 -9.306 -3.471 2.759 1.00 1.00 H new ATOM 0 HG21 ILE A 104 -12.179 -2.870 5.108 1.00 1.00 H new ATOM 0 HG22 ILE A 104 -11.691 -1.207 5.513 1.00 1.00 H new ATOM 0 HG23 ILE A 104 -12.284 -1.587 3.879 1.00 1.00 H new ATOM 0 HD11 ILE A 104 -10.684 -5.497 2.951 1.00 1.00 H new ATOM 0 HD12 ILE A 104 -9.986 -5.070 4.531 1.00 1.00 H new ATOM 0 HD13 ILE A 104 -11.694 -4.710 4.186 1.00 1.00 H new ATOM 1697 N LEU A 105 -9.640 1.391 4.320 1.00 1.00 N ATOM 1698 CA LEU A 105 -9.536 2.572 5.180 1.00 1.00 C ATOM 1699 C LEU A 105 -10.956 2.997 5.510 1.00 1.00 C ATOM 1700 O LEU A 105 -11.701 3.383 4.613 1.00 1.00 O ATOM 1701 CB LEU A 105 -8.770 3.724 4.500 1.00 1.00 C ATOM 1702 CG LEU A 105 -7.247 3.779 4.721 1.00 1.00 C ATOM 1703 CD1 LEU A 105 -6.841 3.799 6.196 1.00 1.00 C ATOM 1704 CD2 LEU A 105 -6.529 2.632 4.022 1.00 1.00 C ATOM 0 H LEU A 105 -9.867 1.614 3.351 1.00 1.00 H new ATOM 0 HA LEU A 105 -8.971 2.327 6.080 1.00 1.00 H new ATOM 0 HB2 LEU A 105 -8.954 3.666 3.427 1.00 1.00 H new ATOM 0 HB3 LEU A 105 -9.197 4.665 4.847 1.00 1.00 H new ATOM 0 HG LEU A 105 -6.939 4.727 4.279 1.00 1.00 H new ATOM 0 HD11 LEU A 105 -5.754 3.838 6.274 1.00 1.00 H new ATOM 0 HD12 LEU A 105 -7.271 4.676 6.680 1.00 1.00 H new ATOM 0 HD13 LEU A 105 -7.208 2.897 6.687 1.00 1.00 H new ATOM 0 HD21 LEU A 105 -5.457 2.709 4.204 1.00 1.00 H new ATOM 0 HD22 LEU A 105 -6.896 1.682 4.411 1.00 1.00 H new ATOM 0 HD23 LEU A 105 -6.720 2.683 2.950 1.00 1.00 H new ATOM 1716 N ASN A 106 -11.359 2.809 6.767 1.00 1.00 N ATOM 1717 CA ASN A 106 -12.697 2.979 7.349 1.00 1.00 C ATOM 1718 C ASN A 106 -13.766 2.045 6.765 1.00 1.00 C ATOM 1719 O ASN A 106 -14.832 1.854 7.351 1.00 1.00 O ATOM 1720 CB ASN A 106 -13.140 4.449 7.290 1.00 1.00 C ATOM 1721 CG ASN A 106 -14.020 4.779 8.483 1.00 1.00 C ATOM 1722 OD1 ASN A 106 -15.247 4.792 8.407 1.00 1.00 O ATOM 1723 ND2 ASN A 106 -13.408 5.055 9.622 1.00 1.00 N ATOM 0 H ASN A 106 -10.692 2.503 7.476 1.00 1.00 H new ATOM 0 HA ASN A 106 -12.602 2.681 8.393 1.00 1.00 H new ATOM 0 HB2 ASN A 106 -12.266 5.100 7.282 1.00 1.00 H new ATOM 0 HB3 ASN A 106 -13.684 4.636 6.364 1.00 1.00 H new ATOM 0 HD21 ASN A 106 -13.955 5.283 10.453 1.00 1.00 H new ATOM 0 HD22 ASN A 106 -12.389 5.040 9.670 1.00 1.00 H new ATOM 1730 N GLY A 107 -13.470 1.427 5.624 1.00 1.00 N ATOM 1731 CA GLY A 107 -14.388 0.647 4.817 1.00 1.00 C ATOM 1732 C GLY A 107 -14.354 1.021 3.334 1.00 1.00 C ATOM 1733 O GLY A 107 -15.221 0.577 2.588 1.00 1.00 O ATOM 0 H GLY A 107 -12.533 1.462 5.222 1.00 1.00 H new ATOM 0 HA2 GLY A 107 -14.147 -0.411 4.924 1.00 1.00 H new ATOM 0 HA3 GLY A 107 -15.401 0.783 5.196 1.00 1.00 H new ATOM 1737 N VAL A 108 -13.405 1.842 2.880 1.00 1.00 N ATOM 1738 CA VAL A 108 -13.137 2.041 1.475 1.00 1.00 C ATOM 1739 C VAL A 108 -12.015 1.100 1.069 1.00 1.00 C ATOM 1740 O VAL A 108 -10.898 1.221 1.585 1.00 1.00 O ATOM 1741 CB VAL A 108 -12.765 3.495 1.150 1.00 1.00 C ATOM 1742 CG1 VAL A 108 -12.861 3.694 -0.370 1.00 1.00 C ATOM 1743 CG2 VAL A 108 -13.679 4.491 1.871 1.00 1.00 C ATOM 0 H VAL A 108 -12.800 2.388 3.493 1.00 1.00 H new ATOM 0 HA VAL A 108 -14.044 1.824 0.911 1.00 1.00 H new ATOM 0 HB VAL A 108 -11.749 3.683 1.497 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -12.600 4.722 -0.620 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -12.172 3.013 -0.870 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -13.879 3.488 -0.700 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -13.383 5.508 1.615 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -14.712 4.325 1.564 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -13.594 4.349 2.948 1.00 1.00 H new ATOM 1753 N CYS A 109 -12.307 0.203 0.132 1.00 1.00 N ATOM 1754 CA CYS A 109 -11.305 -0.533 -0.606 1.00 1.00 C ATOM 1755 C CYS A 109 -10.667 0.414 -1.613 1.00 1.00 C ATOM 1756 O CYS A 109 -11.122 0.560 -2.750 1.00 1.00 O ATOM 1757 CB CYS A 109 -11.905 -1.765 -1.279 1.00 1.00 C ATOM 1758 SG CYS A 109 -12.683 -2.817 -0.025 1.00 1.00 S ATOM 0 H CYS A 109 -13.263 -0.031 -0.134 1.00 1.00 H new ATOM 0 HA CYS A 109 -10.539 -0.905 0.074 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -12.641 -1.464 -2.024 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -11.128 -2.320 -1.805 1.00 1.00 H new ATOM 0 HG CYS A 109 -13.855 -2.340 0.275 1.00 1.00 H new ATOM 1764 N VAL A 110 -9.628 1.099 -1.159 1.00 1.00 N ATOM 1765 CA VAL A 110 -8.642 1.692 -2.043 1.00 1.00 C ATOM 1766 C VAL A 110 -7.497 0.692 -2.176 1.00 1.00 C ATOM 1767 O VAL A 110 -7.292 -0.163 -1.313 1.00 1.00 O ATOM 1768 CB VAL A 110 -8.171 3.067 -1.521 1.00 1.00 C ATOM 1769 CG1 VAL A 110 -9.355 4.032 -1.393 1.00 1.00 C ATOM 1770 CG2 VAL A 110 -7.431 3.000 -0.180 1.00 1.00 C ATOM 0 H VAL A 110 -9.447 1.258 -0.168 1.00 1.00 H new ATOM 0 HA VAL A 110 -9.071 1.890 -3.025 1.00 1.00 H new ATOM 0 HB VAL A 110 -7.460 3.431 -2.263 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -9.001 4.995 -1.024 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -9.822 4.167 -2.369 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -10.085 3.622 -0.695 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -7.132 4.004 0.121 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -8.089 2.575 0.578 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -6.545 2.373 -0.284 1.00 1.00 H new ATOM 1780 N ILE A 111 -6.690 0.856 -3.207 1.00 1.00 N ATOM 1781 CA ILE A 111 -5.352 0.316 -3.275 1.00 1.00 C ATOM 1782 C ILE A 111 -4.457 1.533 -3.058 1.00 1.00 C ATOM 1783 O ILE A 111 -4.633 2.577 -3.688 1.00 1.00 O ATOM 1784 CB ILE A 111 -5.181 -0.408 -4.626 1.00 1.00 C ATOM 1785 CG1 ILE A 111 -5.531 -1.908 -4.526 1.00 1.00 C ATOM 1786 CG2 ILE A 111 -3.767 -0.301 -5.192 1.00 1.00 C ATOM 1787 CD1 ILE A 111 -5.786 -2.547 -5.901 1.00 1.00 C ATOM 0 H ILE A 111 -6.957 1.382 -4.039 1.00 1.00 H new ATOM 0 HA ILE A 111 -5.104 -0.443 -2.533 1.00 1.00 H new ATOM 0 HB ILE A 111 -5.873 0.101 -5.297 1.00 1.00 H new ATOM 0 HG12 ILE A 111 -4.716 -2.435 -4.030 1.00 1.00 H new ATOM 0 HG13 ILE A 111 -6.417 -2.030 -3.902 1.00 1.00 H new ATOM 0 HG21 ILE A 111 -3.715 -0.831 -6.143 1.00 1.00 H new ATOM 0 HG22 ILE A 111 -3.516 0.748 -5.347 1.00 1.00 H new ATOM 0 HG23 ILE A 111 -3.060 -0.743 -4.490 1.00 1.00 H new ATOM 0 HD11 ILE A 111 -6.028 -3.602 -5.773 1.00 1.00 H new ATOM 0 HD12 ILE A 111 -6.619 -2.041 -6.389 1.00 1.00 H new ATOM 0 HD13 ILE A 111 -4.892 -2.452 -6.518 1.00 1.00 H new ATOM 1799 N TRP A 112 -3.492 1.412 -2.159 1.00 1.00 N ATOM 1800 CA TRP A 112 -2.339 2.288 -2.165 1.00 1.00 C ATOM 1801 C TRP A 112 -1.395 1.761 -3.239 1.00 1.00 C ATOM 1802 O TRP A 112 -1.193 0.545 -3.303 1.00 1.00 O ATOM 1803 CB TRP A 112 -1.674 2.206 -0.797 1.00 1.00 C ATOM 1804 CG TRP A 112 -0.496 3.108 -0.629 1.00 1.00 C ATOM 1805 CD1 TRP A 112 -0.526 4.323 -0.048 1.00 1.00 C ATOM 1806 CD2 TRP A 112 0.876 2.917 -1.086 1.00 1.00 C ATOM 1807 NE1 TRP A 112 0.741 4.870 -0.050 1.00 1.00 N ATOM 1808 CE2 TRP A 112 1.646 4.036 -0.667 1.00 1.00 C ATOM 1809 CE3 TRP A 112 1.552 1.913 -1.811 1.00 1.00 C ATOM 1810 CZ2 TRP A 112 3.022 4.127 -0.907 1.00 1.00 C ATOM 1811 CZ3 TRP A 112 2.914 2.036 -2.129 1.00 1.00 C ATOM 1812 CH2 TRP A 112 3.660 3.130 -1.663 1.00 1.00 C ATOM 0 H TRP A 112 -3.488 0.713 -1.416 1.00 1.00 H new ATOM 0 HA TRP A 112 -2.607 3.325 -2.369 1.00 1.00 H new ATOM 0 HB2 TRP A 112 -2.413 2.447 -0.032 1.00 1.00 H new ATOM 0 HB3 TRP A 112 -1.357 1.178 -0.622 1.00 1.00 H new ATOM 0 HD1 TRP A 112 -1.408 4.797 0.358 1.00 1.00 H new ATOM 0 HE1 TRP A 112 0.977 5.776 0.354 1.00 1.00 H new ATOM 0 HE3 TRP A 112 1.012 1.033 -2.127 1.00 1.00 H new ATOM 0 HZ2 TRP A 112 3.589 4.958 -0.514 1.00 1.00 H new ATOM 0 HZ3 TRP A 112 3.392 1.282 -2.737 1.00 1.00 H new ATOM 0 HH2 TRP A 112 4.715 3.204 -1.884 1.00 1.00 H new ATOM 1823 N LYS A 113 -0.777 2.628 -4.044 1.00 1.00 N ATOM 1824 CA LYS A 113 0.208 2.222 -5.048 1.00 1.00 C ATOM 1825 C LYS A 113 1.417 3.150 -5.084 1.00 1.00 C ATOM 1826 O LYS A 113 1.327 4.290 -4.633 1.00 1.00 O ATOM 1827 CB LYS A 113 -0.501 2.128 -6.409 1.00 1.00 C ATOM 1828 CG LYS A 113 -0.847 3.485 -7.062 1.00 1.00 C ATOM 1829 CD LYS A 113 0.039 3.875 -8.256 1.00 1.00 C ATOM 1830 CE LYS A 113 -0.129 2.900 -9.430 1.00 1.00 C ATOM 1831 NZ LYS A 113 0.433 3.423 -10.695 1.00 1.00 N ATOM 0 H LYS A 113 -0.946 3.634 -4.018 1.00 1.00 H new ATOM 0 HA LYS A 113 0.612 1.245 -4.784 1.00 1.00 H new ATOM 0 HB2 LYS A 113 0.133 1.564 -7.093 1.00 1.00 H new ATOM 0 HB3 LYS A 113 -1.421 1.558 -6.283 1.00 1.00 H new ATOM 0 HG2 LYS A 113 -1.885 3.458 -7.393 1.00 1.00 H new ATOM 0 HG3 LYS A 113 -0.774 4.265 -6.304 1.00 1.00 H new ATOM 0 HD2 LYS A 113 -0.213 4.884 -8.582 1.00 1.00 H new ATOM 0 HD3 LYS A 113 1.083 3.892 -7.944 1.00 1.00 H new ATOM 0 HE2 LYS A 113 0.357 1.956 -9.185 1.00 1.00 H new ATOM 0 HE3 LYS A 113 -1.189 2.686 -9.570 1.00 1.00 H new ATOM 0 HZ1 LYS A 113 0.292 2.725 -11.453 1.00 1.00 H new ATOM 0 HZ2 LYS A 113 -0.048 4.310 -10.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 113 1.450 3.603 -10.575 1.00 1.00 H new ATOM 1845 N GLY A 114 2.516 2.711 -5.697 1.00 1.00 N ATOM 1846 CA GLY A 114 3.714 3.513 -5.859 1.00 1.00 C ATOM 1847 C GLY A 114 4.897 2.689 -6.353 1.00 1.00 C ATOM 1848 O GLY A 114 4.760 1.541 -6.777 1.00 1.00 O ATOM 0 H GLY A 114 2.594 1.776 -6.098 1.00 1.00 H new ATOM 0 HA2 GLY A 114 3.516 4.320 -6.564 1.00 1.00 H new ATOM 0 HA3 GLY A 114 3.970 3.977 -4.907 1.00 1.00 H new ATOM 1852 N TRP A 115 6.079 3.289 -6.303 1.00 1.00 N ATOM 1853 CA TRP A 115 7.358 2.620 -6.409 1.00 1.00 C ATOM 1854 C TRP A 115 8.300 3.324 -5.428 1.00 1.00 C ATOM 1855 O TRP A 115 8.263 4.548 -5.276 1.00 1.00 O ATOM 1856 CB TRP A 115 7.851 2.642 -7.865 1.00 1.00 C ATOM 1857 CG TRP A 115 8.137 3.996 -8.437 1.00 1.00 C ATOM 1858 CD1 TRP A 115 9.306 4.657 -8.294 1.00 1.00 C ATOM 1859 CD2 TRP A 115 7.271 4.874 -9.219 1.00 1.00 C ATOM 1860 NE1 TRP A 115 9.198 5.909 -8.869 1.00 1.00 N ATOM 1861 CE2 TRP A 115 7.992 6.070 -9.504 1.00 1.00 C ATOM 1862 CE3 TRP A 115 5.955 4.792 -9.719 1.00 1.00 C ATOM 1863 CZ2 TRP A 115 7.449 7.125 -10.251 1.00 1.00 C ATOM 1864 CZ3 TRP A 115 5.396 5.845 -10.470 1.00 1.00 C ATOM 1865 CH2 TRP A 115 6.147 7.000 -10.749 1.00 1.00 C ATOM 0 H TRP A 115 6.171 4.298 -6.182 1.00 1.00 H new ATOM 0 HA TRP A 115 7.299 1.564 -6.146 1.00 1.00 H new ATOM 0 HB2 TRP A 115 8.759 2.042 -7.930 1.00 1.00 H new ATOM 0 HB3 TRP A 115 7.102 2.156 -8.490 1.00 1.00 H new ATOM 0 HD1 TRP A 115 10.188 4.268 -7.806 1.00 1.00 H new ATOM 0 HE1 TRP A 115 9.924 6.624 -8.827 1.00 1.00 H new ATOM 0 HE3 TRP A 115 5.366 3.908 -9.523 1.00 1.00 H new ATOM 0 HZ2 TRP A 115 8.026 8.019 -10.439 1.00 1.00 H new ATOM 0 HZ3 TRP A 115 4.382 5.764 -10.834 1.00 1.00 H new ATOM 0 HH2 TRP A 115 5.719 7.791 -11.348 1.00 1.00 H new ATOM 1876 N ILE A 116 9.141 2.554 -4.747 1.00 1.00 N ATOM 1877 CA ILE A 116 10.095 3.046 -3.766 1.00 1.00 C ATOM 1878 C ILE A 116 11.466 2.770 -4.367 1.00 1.00 C ATOM 1879 O ILE A 116 11.890 1.620 -4.479 1.00 1.00 O ATOM 1880 CB ILE A 116 9.855 2.391 -2.386 1.00 1.00 C ATOM 1881 CG1 ILE A 116 8.664 3.008 -1.616 1.00 1.00 C ATOM 1882 CG2 ILE A 116 11.119 2.435 -1.515 1.00 1.00 C ATOM 1883 CD1 ILE A 116 8.923 4.397 -1.009 1.00 1.00 C ATOM 0 H ILE A 116 9.177 1.542 -4.867 1.00 1.00 H new ATOM 0 HA ILE A 116 9.994 4.113 -3.566 1.00 1.00 H new ATOM 0 HB ILE A 116 9.601 1.352 -2.597 1.00 1.00 H new ATOM 0 HG12 ILE A 116 7.812 3.078 -2.293 1.00 1.00 H new ATOM 0 HG13 ILE A 116 8.379 2.327 -0.814 1.00 1.00 H new ATOM 0 HG21 ILE A 116 10.914 1.966 -0.553 1.00 1.00 H new ATOM 0 HG22 ILE A 116 11.925 1.898 -2.016 1.00 1.00 H new ATOM 0 HG23 ILE A 116 11.416 3.472 -1.357 1.00 1.00 H new ATOM 0 HD11 ILE A 116 8.027 4.741 -0.491 1.00 1.00 H new ATOM 0 HD12 ILE A 116 9.750 4.337 -0.302 1.00 1.00 H new ATOM 0 HD13 ILE A 116 9.175 5.100 -1.803 1.00 1.00 H new ATOM 1895 N ASP A 117 12.137 3.816 -4.821 1.00 1.00 N ATOM 1896 CA ASP A 117 13.528 3.779 -5.214 1.00 1.00 C ATOM 1897 C ASP A 117 14.411 3.226 -4.090 1.00 1.00 C ATOM 1898 O ASP A 117 14.259 3.554 -2.906 1.00 1.00 O ATOM 1899 CB ASP A 117 13.985 5.181 -5.641 1.00 1.00 C ATOM 1900 CG ASP A 117 14.857 5.137 -6.895 1.00 1.00 C ATOM 1901 OD1 ASP A 117 16.092 4.951 -6.782 1.00 1.00 O ATOM 1902 OD2 ASP A 117 14.292 5.247 -8.012 1.00 1.00 O ATOM 0 H ASP A 117 11.713 4.738 -4.928 1.00 1.00 H new ATOM 0 HA ASP A 117 13.631 3.104 -6.063 1.00 1.00 H new ATOM 0 HB2 ASP A 117 13.112 5.807 -5.827 1.00 1.00 H new ATOM 0 HB3 ASP A 117 14.542 5.645 -4.827 1.00 1.00 H new ATOM 1907 N LEU A 118 15.368 2.382 -4.473 1.00 1.00 N ATOM 1908 CA LEU A 118 16.241 1.573 -3.619 1.00 1.00 C ATOM 1909 C LEU A 118 17.378 2.430 -3.057 1.00 1.00 C ATOM 1910 O LEU A 118 18.520 1.979 -2.955 1.00 1.00 O ATOM 1911 CB LEU A 118 16.814 0.390 -4.431 1.00 1.00 C ATOM 1912 CG LEU A 118 15.756 -0.493 -5.112 1.00 1.00 C ATOM 1913 CD1 LEU A 118 16.385 -1.397 -6.177 1.00 1.00 C ATOM 1914 CD2 LEU A 118 14.891 -1.257 -4.117 1.00 1.00 C ATOM 0 H LEU A 118 15.570 2.234 -5.462 1.00 1.00 H new ATOM 0 HA LEU A 118 15.658 1.183 -2.784 1.00 1.00 H new ATOM 0 HB2 LEU A 118 17.486 0.782 -5.194 1.00 1.00 H new ATOM 0 HB3 LEU A 118 17.414 -0.232 -3.767 1.00 1.00 H new ATOM 0 HG LEU A 118 15.069 0.176 -5.630 1.00 1.00 H new ATOM 0 HD11 LEU A 118 15.610 -2.008 -6.639 1.00 1.00 H new ATOM 0 HD12 LEU A 118 16.865 -0.782 -6.939 1.00 1.00 H new ATOM 0 HD13 LEU A 118 17.128 -2.044 -5.712 1.00 1.00 H new ATOM 0 HD21 LEU A 118 14.163 -1.862 -4.657 1.00 1.00 H new ATOM 0 HD22 LEU A 118 15.522 -1.905 -3.509 1.00 1.00 H new ATOM 0 HD23 LEU A 118 14.368 -0.551 -3.472 1.00 1.00 H new ATOM 1926 N HIS A 119 17.096 3.697 -2.780 1.00 1.00 N ATOM 1927 CA HIS A 119 18.063 4.737 -2.497 1.00 1.00 C ATOM 1928 C HIS A 119 17.973 5.057 -1.004 1.00 1.00 C ATOM 1929 O HIS A 119 18.894 4.757 -0.245 1.00 1.00 O ATOM 1930 CB HIS A 119 17.829 5.896 -3.494 1.00 1.00 C ATOM 1931 CG HIS A 119 17.463 7.239 -2.923 1.00 1.00 C ATOM 1932 ND1 HIS A 119 18.361 8.081 -2.308 1.00 1.00 N ATOM 1933 CD2 HIS A 119 16.226 7.841 -2.921 1.00 1.00 C ATOM 1934 CE1 HIS A 119 17.685 9.177 -1.926 1.00 1.00 C ATOM 1935 NE2 HIS A 119 16.393 9.077 -2.283 1.00 1.00 N ATOM 0 H HIS A 119 16.136 4.039 -2.746 1.00 1.00 H new ATOM 0 HA HIS A 119 19.103 4.452 -2.658 1.00 1.00 H new ATOM 0 HB2 HIS A 119 18.735 6.018 -4.087 1.00 1.00 H new ATOM 0 HB3 HIS A 119 17.037 5.595 -4.180 1.00 1.00 H new ATOM 0 HD2 HIS A 119 15.310 7.441 -3.329 1.00 1.00 H new ATOM 0 HE1 HIS A 119 18.118 10.019 -1.406 1.00 1.00 H new ATOM 0 HE2 HIS A 119 15.667 9.774 -2.119 1.00 1.00 H new ATOM 1943 N ARG A 120 16.821 5.569 -0.570 1.00 1.00 N ATOM 1944 CA ARG A 120 16.498 6.032 0.771 1.00 1.00 C ATOM 1945 C ARG A 120 15.151 5.521 1.221 1.00 1.00 C ATOM 1946 O ARG A 120 14.710 5.903 2.303 1.00 1.00 O ATOM 1947 CB ARG A 120 16.627 7.566 0.796 1.00 1.00 C ATOM 1948 CG ARG A 120 16.421 8.208 2.174 1.00 1.00 C ATOM 1949 CD ARG A 120 17.214 9.503 2.363 1.00 1.00 C ATOM 1950 NE ARG A 120 18.660 9.247 2.495 1.00 1.00 N ATOM 1951 CZ ARG A 120 19.577 10.154 2.848 1.00 1.00 C ATOM 1952 NH1 ARG A 120 19.218 11.397 3.149 1.00 1.00 N ATOM 1953 NH2 ARG A 120 20.860 9.823 2.915 1.00 1.00 N ATOM 0 H ARG A 120 16.028 5.677 -1.202 1.00 1.00 H new ATOM 0 HA ARG A 120 17.201 5.625 1.498 1.00 1.00 H new ATOM 0 HB2 ARG A 120 17.616 7.839 0.428 1.00 1.00 H new ATOM 0 HB3 ARG A 120 15.901 7.989 0.102 1.00 1.00 H new ATOM 0 HG2 ARG A 120 15.360 8.416 2.315 1.00 1.00 H new ATOM 0 HG3 ARG A 120 16.712 7.496 2.946 1.00 1.00 H new ATOM 0 HD2 ARG A 120 17.038 10.164 1.514 1.00 1.00 H new ATOM 0 HD3 ARG A 120 16.855 10.023 3.251 1.00 1.00 H new ATOM 0 HE ARG A 120 18.988 8.301 2.301 1.00 1.00 H new ATOM 0 HH11 ARG A 120 18.235 11.667 3.112 1.00 1.00 H new ATOM 0 HH12 ARG A 120 19.925 12.081 3.417 1.00 1.00 H new ATOM 0 HH21 ARG A 120 21.153 8.871 2.696 1.00 1.00 H new ATOM 0 HH22 ARG A 120 21.553 10.521 3.185 1.00 1.00 H new ATOM 1967 N LEU A 121 14.521 4.640 0.438 1.00 1.00 N ATOM 1968 CA LEU A 121 13.244 4.054 0.792 1.00 1.00 C ATOM 1969 C LEU A 121 12.232 5.186 0.693 1.00 1.00 C ATOM 1970 O LEU A 121 11.458 5.458 1.605 1.00 1.00 O ATOM 1971 CB LEU A 121 13.285 3.327 2.154 1.00 1.00 C ATOM 1972 CG LEU A 121 14.357 2.239 2.318 1.00 1.00 C ATOM 1973 CD1 LEU A 121 14.146 1.160 1.266 1.00 1.00 C ATOM 1974 CD2 LEU A 121 15.829 2.625 2.279 1.00 1.00 C ATOM 0 H LEU A 121 14.890 4.319 -0.457 1.00 1.00 H new ATOM 0 HA LEU A 121 12.956 3.251 0.114 1.00 1.00 H new ATOM 0 HB2 LEU A 121 13.434 4.073 2.935 1.00 1.00 H new ATOM 0 HB3 LEU A 121 12.309 2.874 2.328 1.00 1.00 H new ATOM 0 HG LEU A 121 14.194 1.923 3.348 1.00 1.00 H new ATOM 0 HD11 LEU A 121 14.906 0.387 1.380 1.00 1.00 H new ATOM 0 HD12 LEU A 121 13.157 0.719 1.391 1.00 1.00 H new ATOM 0 HD13 LEU A 121 14.224 1.601 0.272 1.00 1.00 H new ATOM 0 HD21 LEU A 121 16.442 1.734 2.411 1.00 1.00 H new ATOM 0 HD22 LEU A 121 16.059 3.085 1.318 1.00 1.00 H new ATOM 0 HD23 LEU A 121 16.041 3.333 3.080 1.00 1.00 H new ATOM 1986 N ASP A 122 12.323 5.888 -0.426 1.00 1.00 N ATOM 1987 CA ASP A 122 11.619 7.095 -0.805 1.00 1.00 C ATOM 1988 C ASP A 122 11.323 6.843 -2.282 1.00 1.00 C ATOM 1989 O ASP A 122 11.755 5.843 -2.865 1.00 1.00 O ATOM 1990 CB ASP A 122 12.576 8.272 -0.565 1.00 1.00 C ATOM 1991 CG ASP A 122 12.193 9.711 -0.923 1.00 1.00 C ATOM 1992 OD1 ASP A 122 11.634 9.993 -1.998 1.00 1.00 O ATOM 1993 OD2 ASP A 122 12.643 10.605 -0.168 1.00 1.00 O ATOM 0 H ASP A 122 12.960 5.591 -1.166 1.00 1.00 H new ATOM 0 HA ASP A 122 10.706 7.327 -0.257 1.00 1.00 H new ATOM 0 HB2 ASP A 122 12.822 8.266 0.497 1.00 1.00 H new ATOM 0 HB3 ASP A 122 13.495 8.047 -1.106 1.00 1.00 H new ATOM 1998 N GLY A 123 10.558 7.712 -2.889 1.00 1.00 N ATOM 1999 CA GLY A 123 10.125 7.587 -4.261 1.00 1.00 C ATOM 2000 C GLY A 123 8.730 8.175 -4.385 1.00 1.00 C ATOM 2001 O GLY A 123 8.451 9.243 -3.843 1.00 1.00 O ATOM 0 H GLY A 123 10.207 8.553 -2.430 1.00 1.00 H new ATOM 0 HA2 GLY A 123 10.815 8.108 -4.924 1.00 1.00 H new ATOM 0 HA3 GLY A 123 10.122 6.540 -4.563 1.00 1.00 H new ATOM 2005 N MET A 124 7.850 7.503 -5.118 1.00 1.00 N ATOM 2006 CA MET A 124 6.582 8.059 -5.582 1.00 1.00 C ATOM 2007 C MET A 124 5.447 7.100 -5.254 1.00 1.00 C ATOM 2008 O MET A 124 5.598 5.891 -5.411 1.00 1.00 O ATOM 2009 CB MET A 124 6.693 8.257 -7.095 1.00 1.00 C ATOM 2010 CG MET A 124 7.504 9.496 -7.490 1.00 1.00 C ATOM 2011 SD MET A 124 6.802 11.099 -7.003 1.00 1.00 S ATOM 2012 CE MET A 124 5.168 11.005 -7.786 1.00 1.00 C ATOM 0 H MET A 124 8.000 6.538 -5.413 1.00 1.00 H new ATOM 0 HA MET A 124 6.372 9.009 -5.091 1.00 1.00 H new ATOM 0 HB2 MET A 124 7.155 7.374 -7.536 1.00 1.00 H new ATOM 0 HB3 MET A 124 5.692 8.338 -7.518 1.00 1.00 H new ATOM 0 HG2 MET A 124 8.498 9.409 -7.052 1.00 1.00 H new ATOM 0 HG3 MET A 124 7.631 9.492 -8.573 1.00 1.00 H new ATOM 0 HE1 MET A 124 4.719 11.998 -7.811 1.00 1.00 H new ATOM 0 HE2 MET A 124 5.273 10.628 -8.803 1.00 1.00 H new ATOM 0 HE3 MET A 124 4.529 10.332 -7.214 1.00 1.00 H new ATOM 2022 N GLY A 125 4.295 7.612 -4.835 1.00 1.00 N ATOM 2023 CA GLY A 125 3.123 6.806 -4.546 1.00 1.00 C ATOM 2024 C GLY A 125 1.887 7.668 -4.384 1.00 1.00 C ATOM 2025 O GLY A 125 1.940 8.889 -4.549 1.00 1.00 O ATOM 0 H GLY A 125 4.151 8.611 -4.686 1.00 1.00 H new ATOM 0 HA2 GLY A 125 2.965 6.088 -5.351 1.00 1.00 H new ATOM 0 HA3 GLY A 125 3.290 6.231 -3.635 1.00 1.00 H new ATOM 2029 N CYS A 126 0.757 7.016 -4.123 1.00 1.00 N ATOM 2030 CA CYS A 126 -0.590 7.553 -4.243 1.00 1.00 C ATOM 2031 C CYS A 126 -1.610 6.445 -4.045 1.00 1.00 C ATOM 2032 O CYS A 126 -1.313 5.391 -3.483 1.00 1.00 O ATOM 2033 CB CYS A 126 -0.766 8.262 -5.587 1.00 1.00 C ATOM 2034 SG CYS A 126 -0.258 7.219 -6.986 1.00 1.00 S ATOM 0 H CYS A 126 0.760 6.047 -3.805 1.00 1.00 H new ATOM 0 HA CYS A 126 -0.753 8.297 -3.463 1.00 1.00 H new ATOM 0 HB2 CYS A 126 -1.810 8.549 -5.710 1.00 1.00 H new ATOM 0 HB3 CYS A 126 -0.180 9.181 -5.590 1.00 1.00 H new ATOM 0 HG CYS A 126 -0.637 7.772 -8.100 1.00 1.00 H new ATOM 2040 N LEU A 127 -2.839 6.732 -4.455 1.00 1.00 N ATOM 2041 CA LEU A 127 -3.982 5.867 -4.318 1.00 1.00 C ATOM 2042 C LEU A 127 -4.561 5.565 -5.679 1.00 1.00 C ATOM 2043 O LEU A 127 -4.364 6.302 -6.654 1.00 1.00 O ATOM 2044 CB LEU A 127 -5.057 6.568 -3.480 1.00 1.00 C ATOM 2045 CG LEU A 127 -4.591 6.941 -2.071 1.00 1.00 C ATOM 2046 CD1 LEU A 127 -5.737 7.676 -1.387 1.00 1.00 C ATOM 2047 CD2 LEU A 127 -4.164 5.692 -1.292 1.00 1.00 C ATOM 0 H LEU A 127 -3.066 7.616 -4.911 1.00 1.00 H new ATOM 0 HA LEU A 127 -3.668 4.943 -3.833 1.00 1.00 H new ATOM 0 HB2 LEU A 127 -5.378 7.472 -3.998 1.00 1.00 H new ATOM 0 HB3 LEU A 127 -5.928 5.917 -3.405 1.00 1.00 H new ATOM 0 HG LEU A 127 -3.716 7.589 -2.112 1.00 1.00 H new ATOM 0 HD11 LEU A 127 -5.438 7.957 -0.377 1.00 1.00 H new ATOM 0 HD12 LEU A 127 -5.985 8.573 -1.955 1.00 1.00 H new ATOM 0 HD13 LEU A 127 -6.610 7.025 -1.339 1.00 1.00 H new ATOM 0 HD21 LEU A 127 -3.836 5.980 -0.293 1.00 1.00 H new ATOM 0 HD22 LEU A 127 -5.008 5.006 -1.213 1.00 1.00 H new ATOM 0 HD23 LEU A 127 -3.344 5.200 -1.815 1.00 1.00 H new ATOM 2059 N GLU A 128 -5.355 4.512 -5.667 1.00 1.00 N ATOM 2060 CA GLU A 128 -6.357 4.143 -6.622 1.00 1.00 C ATOM 2061 C GLU A 128 -7.524 3.493 -5.885 1.00 1.00 C ATOM 2062 O GLU A 128 -7.421 3.148 -4.708 1.00 1.00 O ATOM 2063 CB GLU A 128 -5.740 3.240 -7.689 1.00 1.00 C ATOM 2064 CG GLU A 128 -4.635 2.221 -7.314 1.00 1.00 C ATOM 2065 CD GLU A 128 -3.738 1.772 -8.484 1.00 1.00 C ATOM 2066 OE1 GLU A 128 -3.458 2.580 -9.398 1.00 1.00 O ATOM 2067 OE2 GLU A 128 -3.248 0.614 -8.503 1.00 1.00 O ATOM 0 H GLU A 128 -5.301 3.832 -4.908 1.00 1.00 H new ATOM 0 HA GLU A 128 -6.747 5.018 -7.142 1.00 1.00 H new ATOM 0 HB2 GLU A 128 -6.555 2.678 -8.145 1.00 1.00 H new ATOM 0 HB3 GLU A 128 -5.330 3.890 -8.462 1.00 1.00 H new ATOM 0 HG2 GLU A 128 -4.005 2.660 -6.540 1.00 1.00 H new ATOM 0 HG3 GLU A 128 -5.107 1.340 -6.879 1.00 1.00 H new ATOM 2074 N PHE A 129 -8.648 3.341 -6.575 1.00 1.00 N ATOM 2075 CA PHE A 129 -9.776 2.556 -6.071 1.00 1.00 C ATOM 2076 C PHE A 129 -9.435 1.064 -6.215 1.00 1.00 C ATOM 2077 O PHE A 129 -8.520 0.715 -6.965 1.00 1.00 O ATOM 2078 CB PHE A 129 -11.043 2.942 -6.856 1.00 1.00 C ATOM 2079 CG PHE A 129 -12.362 2.424 -6.299 1.00 1.00 C ATOM 2080 CD1 PHE A 129 -12.784 2.771 -5.001 1.00 1.00 C ATOM 2081 CD2 PHE A 129 -13.206 1.637 -7.104 1.00 1.00 C ATOM 2082 CE1 PHE A 129 -14.002 2.285 -4.493 1.00 1.00 C ATOM 2083 CE2 PHE A 129 -14.454 1.201 -6.616 1.00 1.00 C ATOM 2084 CZ PHE A 129 -14.844 1.507 -5.303 1.00 1.00 C ATOM 0 H PHE A 129 -8.806 3.754 -7.494 1.00 1.00 H new ATOM 0 HA PHE A 129 -9.965 2.760 -5.017 1.00 1.00 H new ATOM 0 HB2 PHE A 129 -11.096 4.029 -6.908 1.00 1.00 H new ATOM 0 HB3 PHE A 129 -10.937 2.579 -7.878 1.00 1.00 H new ATOM 0 HD1 PHE A 129 -12.168 3.415 -4.391 1.00 1.00 H new ATOM 0 HD2 PHE A 129 -12.895 1.365 -8.102 1.00 1.00 H new ATOM 0 HE1 PHE A 129 -14.290 2.511 -3.477 1.00 1.00 H new ATOM 0 HE2 PHE A 129 -15.112 0.630 -7.254 1.00 1.00 H new ATOM 0 HZ PHE A 129 -15.786 1.146 -4.918 1.00 1.00 H new ATOM 2094 N ASP A 130 -10.180 0.168 -5.569 1.00 1.00 N ATOM 2095 CA ASP A 130 -10.147 -1.265 -5.863 1.00 1.00 C ATOM 2096 C ASP A 130 -11.589 -1.745 -5.952 1.00 1.00 C ATOM 2097 O ASP A 130 -12.207 -2.090 -4.949 1.00 1.00 O ATOM 2098 CB ASP A 130 -9.340 -2.060 -4.832 1.00 1.00 C ATOM 2099 CG ASP A 130 -9.143 -3.517 -5.280 1.00 1.00 C ATOM 2100 OD1 ASP A 130 -9.898 -4.025 -6.143 1.00 1.00 O ATOM 2101 OD2 ASP A 130 -8.202 -4.182 -4.788 1.00 1.00 O ATOM 0 H ASP A 130 -10.828 0.417 -4.822 1.00 1.00 H new ATOM 0 HA ASP A 130 -9.633 -1.433 -6.809 1.00 1.00 H new ATOM 0 HB2 ASP A 130 -8.369 -1.588 -4.685 1.00 1.00 H new ATOM 0 HB3 ASP A 130 -9.853 -2.039 -3.871 1.00 1.00 H new ATOM 2106 N GLU A 131 -12.168 -1.696 -7.150 1.00 1.00 N ATOM 2107 CA GLU A 131 -13.558 -1.983 -7.397 1.00 1.00 C ATOM 2108 C GLU A 131 -13.904 -3.453 -7.162 1.00 1.00 C ATOM 2109 O GLU A 131 -15.031 -3.774 -6.771 1.00 1.00 O ATOM 2110 CB GLU A 131 -13.794 -1.560 -8.852 1.00 1.00 C ATOM 2111 CG GLU A 131 -15.265 -1.659 -9.205 1.00 1.00 C ATOM 2112 CD GLU A 131 -15.696 -0.529 -10.134 1.00 1.00 C ATOM 2113 OE1 GLU A 131 -15.388 -0.583 -11.343 1.00 1.00 O ATOM 2114 OE2 GLU A 131 -16.318 0.440 -9.629 1.00 1.00 O ATOM 0 H GLU A 131 -11.656 -1.446 -7.996 1.00 1.00 H new ATOM 0 HA GLU A 131 -14.206 -1.444 -6.706 1.00 1.00 H new ATOM 0 HB2 GLU A 131 -13.447 -0.537 -9.000 1.00 1.00 H new ATOM 0 HB3 GLU A 131 -13.211 -2.194 -9.520 1.00 1.00 H new ATOM 0 HG2 GLU A 131 -15.461 -2.619 -9.683 1.00 1.00 H new ATOM 0 HG3 GLU A 131 -15.862 -1.629 -8.293 1.00 1.00 H new ATOM 2121 N GLU A 132 -12.924 -4.325 -7.386 1.00 1.00 N ATOM 2122 CA GLU A 132 -13.009 -5.758 -7.203 1.00 1.00 C ATOM 2123 C GLU A 132 -13.031 -6.054 -5.718 1.00 1.00 C ATOM 2124 O GLU A 132 -13.960 -6.695 -5.232 1.00 1.00 O ATOM 2125 CB GLU A 132 -11.769 -6.371 -7.879 1.00 1.00 C ATOM 2126 CG GLU A 132 -11.666 -7.894 -7.815 1.00 1.00 C ATOM 2127 CD GLU A 132 -12.691 -8.579 -8.710 1.00 1.00 C ATOM 2128 OE1 GLU A 132 -12.510 -8.556 -9.950 1.00 1.00 O ATOM 2129 OE2 GLU A 132 -13.676 -9.134 -8.173 1.00 1.00 O ATOM 0 H GLU A 132 -12.006 -4.029 -7.717 1.00 1.00 H new ATOM 0 HA GLU A 132 -13.912 -6.180 -7.644 1.00 1.00 H new ATOM 0 HB2 GLU A 132 -11.761 -6.068 -8.926 1.00 1.00 H new ATOM 0 HB3 GLU A 132 -10.878 -5.945 -7.418 1.00 1.00 H new ATOM 0 HG2 GLU A 132 -10.663 -8.201 -8.113 1.00 1.00 H new ATOM 0 HG3 GLU A 132 -11.808 -8.223 -6.786 1.00 1.00 H new ATOM 2136 N ARG A 133 -12.045 -5.562 -4.970 1.00 1.00 N ATOM 2137 CA ARG A 133 -12.047 -5.758 -3.543 1.00 1.00 C ATOM 2138 C ARG A 133 -13.238 -5.082 -2.911 1.00 1.00 C ATOM 2139 O ARG A 133 -13.806 -5.673 -2.005 1.00 1.00 O ATOM 2140 CB ARG A 133 -10.759 -5.230 -2.951 1.00 1.00 C ATOM 2141 CG ARG A 133 -10.446 -5.896 -1.616 1.00 1.00 C ATOM 2142 CD ARG A 133 -9.923 -7.331 -1.798 1.00 1.00 C ATOM 2143 NE ARG A 133 -8.584 -7.322 -2.412 1.00 1.00 N ATOM 2144 CZ ARG A 133 -8.318 -7.461 -3.718 1.00 1.00 C ATOM 2145 NH1 ARG A 133 -9.191 -8.010 -4.563 1.00 1.00 N ATOM 2146 NH2 ARG A 133 -7.153 -7.031 -4.182 1.00 1.00 N ATOM 0 H ARG A 133 -11.251 -5.034 -5.332 1.00 1.00 H new ATOM 0 HA ARG A 133 -12.119 -6.826 -3.337 1.00 1.00 H new ATOM 0 HB2 ARG A 133 -9.939 -5.404 -3.647 1.00 1.00 H new ATOM 0 HB3 ARG A 133 -10.836 -4.152 -2.812 1.00 1.00 H new ATOM 0 HG2 ARG A 133 -9.703 -5.304 -1.081 1.00 1.00 H new ATOM 0 HG3 ARG A 133 -11.345 -5.913 -0.999 1.00 1.00 H new ATOM 0 HD2 ARG A 133 -9.882 -7.834 -0.832 1.00 1.00 H new ATOM 0 HD3 ARG A 133 -10.612 -7.898 -2.424 1.00 1.00 H new ATOM 0 HE ARG A 133 -7.788 -7.199 -1.787 1.00 1.00 H new ATOM 0 HH11 ARG A 133 -10.094 -8.339 -4.221 1.00 1.00 H new ATOM 0 HH12 ARG A 133 -8.956 -8.100 -5.551 1.00 1.00 H new ATOM 0 HH21 ARG A 133 -6.478 -6.603 -3.548 1.00 1.00 H new ATOM 0 HH22 ARG A 133 -6.932 -7.128 -5.173 1.00 1.00 H new ATOM 2160 N ALA A 134 -13.667 -3.919 -3.400 1.00 1.00 N ATOM 2161 CA ALA A 134 -14.881 -3.303 -2.911 1.00 1.00 C ATOM 2162 C ALA A 134 -16.039 -4.282 -3.069 1.00 1.00 C ATOM 2163 O ALA A 134 -16.782 -4.447 -2.107 1.00 1.00 O ATOM 2164 CB ALA A 134 -15.152 -1.966 -3.620 1.00 1.00 C ATOM 0 H ALA A 134 -13.188 -3.393 -4.131 1.00 1.00 H new ATOM 0 HA ALA A 134 -14.768 -3.070 -1.852 1.00 1.00 H new ATOM 0 HB1 ALA A 134 -16.071 -1.528 -3.231 1.00 1.00 H new ATOM 0 HB2 ALA A 134 -14.321 -1.284 -3.441 1.00 1.00 H new ATOM 0 HB3 ALA A 134 -15.257 -2.137 -4.691 1.00 1.00 H new ATOM 2170 N GLN A 135 -16.170 -4.978 -4.209 1.00 1.00 N ATOM 2171 CA GLN A 135 -17.167 -6.036 -4.343 1.00 1.00 C ATOM 2172 C GLN A 135 -16.922 -7.182 -3.351 1.00 1.00 C ATOM 2173 O GLN A 135 -17.904 -7.651 -2.767 1.00 1.00 O ATOM 2174 CB GLN A 135 -17.229 -6.558 -5.796 1.00 1.00 C ATOM 2175 CG GLN A 135 -18.025 -5.643 -6.743 1.00 1.00 C ATOM 2176 CD GLN A 135 -18.931 -6.420 -7.703 1.00 1.00 C ATOM 2177 OE1 GLN A 135 -19.920 -7.020 -7.281 1.00 1.00 O ATOM 2178 NE2 GLN A 135 -18.640 -6.442 -8.992 1.00 1.00 N ATOM 0 H GLN A 135 -15.601 -4.825 -5.041 1.00 1.00 H new ATOM 0 HA GLN A 135 -18.136 -5.602 -4.098 1.00 1.00 H new ATOM 0 HB2 GLN A 135 -16.214 -6.668 -6.178 1.00 1.00 H new ATOM 0 HB3 GLN A 135 -17.680 -7.550 -5.798 1.00 1.00 H new ATOM 0 HG2 GLN A 135 -18.633 -4.958 -6.152 1.00 1.00 H new ATOM 0 HG3 GLN A 135 -17.330 -5.034 -7.321 1.00 1.00 H new ATOM 0 HE21 GLN A 135 -17.820 -5.944 -9.338 1.00 1.00 H new ATOM 0 HE22 GLN A 135 -19.235 -6.957 -9.641 1.00 1.00 H new ATOM 2187 N GLN A 136 -15.682 -7.641 -3.124 1.00 1.00 N ATOM 2188 CA GLN A 136 -15.451 -8.710 -2.148 1.00 1.00 C ATOM 2189 C GLN A 136 -15.916 -8.289 -0.762 1.00 1.00 C ATOM 2190 O GLN A 136 -16.604 -9.049 -0.081 1.00 1.00 O ATOM 2191 CB GLN A 136 -13.965 -9.118 -2.038 1.00 1.00 C ATOM 2192 CG GLN A 136 -13.500 -10.179 -3.036 1.00 1.00 C ATOM 2193 CD GLN A 136 -12.948 -9.608 -4.332 1.00 1.00 C ATOM 2194 OE1 GLN A 136 -11.843 -9.062 -4.361 1.00 1.00 O ATOM 2195 NE2 GLN A 136 -13.692 -9.779 -5.411 1.00 1.00 N ATOM 0 H GLN A 136 -14.843 -7.297 -3.592 1.00 1.00 H new ATOM 0 HA GLN A 136 -16.024 -9.563 -2.512 1.00 1.00 H new ATOM 0 HB2 GLN A 136 -13.351 -8.227 -2.168 1.00 1.00 H new ATOM 0 HB3 GLN A 136 -13.781 -9.487 -1.029 1.00 1.00 H new ATOM 0 HG2 GLN A 136 -12.733 -10.794 -2.566 1.00 1.00 H new ATOM 0 HG3 GLN A 136 -14.338 -10.837 -3.268 1.00 1.00 H new ATOM 0 HE21 GLN A 136 -14.600 -10.237 -5.337 1.00 1.00 H new ATOM 0 HE22 GLN A 136 -13.358 -9.453 -6.318 1.00 1.00 H new ATOM 2204 N GLU A 137 -15.496 -7.110 -0.339 1.00 1.00 N ATOM 2205 CA GLU A 137 -15.611 -6.639 1.017 1.00 1.00 C ATOM 2206 C GLU A 137 -17.059 -6.257 1.313 1.00 1.00 C ATOM 2207 O GLU A 137 -17.556 -6.547 2.401 1.00 1.00 O ATOM 2208 CB GLU A 137 -14.633 -5.468 1.183 1.00 1.00 C ATOM 2209 CG GLU A 137 -13.996 -5.482 2.573 1.00 1.00 C ATOM 2210 CD GLU A 137 -13.150 -6.743 2.847 1.00 1.00 C ATOM 2211 OE1 GLU A 137 -12.544 -7.326 1.916 1.00 1.00 O ATOM 2212 OE2 GLU A 137 -13.079 -7.159 4.024 1.00 1.00 O ATOM 0 H GLU A 137 -15.050 -6.434 -0.959 1.00 1.00 H new ATOM 0 HA GLU A 137 -15.350 -7.413 1.739 1.00 1.00 H new ATOM 0 HB2 GLU A 137 -13.855 -5.528 0.422 1.00 1.00 H new ATOM 0 HB3 GLU A 137 -15.158 -4.525 1.029 1.00 1.00 H new ATOM 0 HG2 GLU A 137 -13.366 -4.600 2.685 1.00 1.00 H new ATOM 0 HG3 GLU A 137 -14.782 -5.410 3.325 1.00 1.00 H new ATOM 2219 N ASP A 138 -17.762 -5.689 0.323 1.00 1.00 N ATOM 2220 CA ASP A 138 -19.211 -5.540 0.369 1.00 1.00 C ATOM 2221 C ASP A 138 -19.873 -6.874 0.589 1.00 1.00 C ATOM 2222 O ASP A 138 -20.694 -6.976 1.492 1.00 1.00 O ATOM 2223 CB ASP A 138 -19.808 -4.851 -0.868 1.00 1.00 C ATOM 2224 CG ASP A 138 -20.276 -3.416 -0.579 1.00 1.00 C ATOM 2225 OD1 ASP A 138 -19.517 -2.428 -0.690 1.00 1.00 O ATOM 2226 OD2 ASP A 138 -21.474 -3.272 -0.230 1.00 1.00 O ATOM 0 H ASP A 138 -17.336 -5.322 -0.528 1.00 1.00 H new ATOM 0 HA ASP A 138 -19.414 -4.880 1.213 1.00 1.00 H new ATOM 0 HB2 ASP A 138 -19.063 -4.833 -1.664 1.00 1.00 H new ATOM 0 HB3 ASP A 138 -20.651 -5.437 -1.234 1.00 1.00 H new ATOM 2231 N ALA A 139 -19.554 -7.884 -0.223 1.00 1.00 N ATOM 2232 CA ALA A 139 -20.174 -9.197 -0.043 1.00 1.00 C ATOM 2233 C ALA A 139 -19.856 -9.776 1.348 1.00 1.00 C ATOM 2234 O ALA A 139 -20.734 -10.320 2.020 1.00 1.00 O ATOM 2235 CB ALA A 139 -19.757 -10.127 -1.178 1.00 1.00 C ATOM 0 H ALA A 139 -18.887 -7.822 -0.993 1.00 1.00 H new ATOM 0 HA ALA A 139 -21.258 -9.091 -0.086 1.00 1.00 H new ATOM 0 HB1 ALA A 139 -20.222 -11.103 -1.038 1.00 1.00 H new ATOM 0 HB2 ALA A 139 -20.078 -9.705 -2.130 1.00 1.00 H new ATOM 0 HB3 ALA A 139 -18.673 -10.238 -1.177 1.00 1.00 H new ATOM 2241 N LEU A 140 -18.621 -9.603 1.829 1.00 1.00 N ATOM 2242 CA LEU A 140 -18.191 -10.042 3.149 1.00 1.00 C ATOM 2243 C LEU A 140 -18.956 -9.373 4.286 1.00 1.00 C ATOM 2244 O LEU A 140 -18.923 -9.881 5.409 1.00 1.00 O ATOM 2245 CB LEU A 140 -16.680 -9.785 3.354 1.00 1.00 C ATOM 2246 CG LEU A 140 -15.711 -10.819 2.759 1.00 1.00 C ATOM 2247 CD1 LEU A 140 -14.323 -10.627 3.380 1.00 1.00 C ATOM 2248 CD2 LEU A 140 -16.185 -12.247 3.028 1.00 1.00 C ATOM 0 H LEU A 140 -17.882 -9.144 1.297 1.00 1.00 H new ATOM 0 HA LEU A 140 -18.403 -11.111 3.183 1.00 1.00 H new ATOM 0 HB2 LEU A 140 -16.441 -8.811 2.927 1.00 1.00 H new ATOM 0 HB3 LEU A 140 -16.490 -9.719 4.425 1.00 1.00 H new ATOM 0 HG LEU A 140 -15.672 -10.667 1.680 1.00 1.00 H new ATOM 0 HD11 LEU A 140 -13.632 -11.359 2.961 1.00 1.00 H new ATOM 0 HD12 LEU A 140 -13.963 -9.622 3.162 1.00 1.00 H new ATOM 0 HD13 LEU A 140 -14.385 -10.764 4.460 1.00 1.00 H new ATOM 0 HD21 LEU A 140 -15.477 -12.953 2.594 1.00 1.00 H new ATOM 0 HD22 LEU A 140 -16.249 -12.412 4.103 1.00 1.00 H new ATOM 0 HD23 LEU A 140 -17.167 -12.395 2.579 1.00 1.00 H new ATOM 2260 N ALA A 141 -19.598 -8.234 4.053 1.00 1.00 N ATOM 2261 CA ALA A 141 -20.230 -7.395 5.067 1.00 1.00 C ATOM 2262 C ALA A 141 -21.524 -7.987 5.656 1.00 1.00 C ATOM 2263 O ALA A 141 -22.329 -7.227 6.192 1.00 1.00 O ATOM 2264 CB ALA A 141 -20.468 -5.995 4.486 1.00 1.00 C ATOM 0 H ALA A 141 -19.697 -7.853 3.112 1.00 1.00 H new ATOM 0 HA ALA A 141 -19.543 -7.338 5.911 1.00 1.00 H new ATOM 0 HB1 ALA A 141 -20.940 -5.364 5.239 1.00 1.00 H new ATOM 0 HB2 ALA A 141 -19.515 -5.557 4.191 1.00 1.00 H new ATOM 0 HB3 ALA A 141 -21.119 -6.068 3.615 1.00 1.00 H new ATOM 2270 N GLN A 142 -21.728 -9.311 5.632 1.00 1.00 N ATOM 2271 CA GLN A 142 -23.004 -9.996 5.747 1.00 1.00 C ATOM 2272 C GLN A 142 -23.902 -9.618 4.562 1.00 1.00 C ATOM 2273 O GLN A 142 -25.048 -9.183 4.720 1.00 1.00 O ATOM 2274 CB GLN A 142 -23.617 -9.812 7.152 1.00 1.00 C ATOM 2275 CG GLN A 142 -23.661 -11.120 7.939 1.00 1.00 C ATOM 2276 CD GLN A 142 -22.306 -11.700 8.341 1.00 1.00 C ATOM 2277 OE1 GLN A 142 -22.168 -12.917 8.413 1.00 1.00 O ATOM 2278 NE2 GLN A 142 -21.275 -10.911 8.598 1.00 1.00 N ATOM 0 H GLN A 142 -20.952 -9.965 5.525 1.00 1.00 H new ATOM 0 HA GLN A 142 -22.870 -11.075 5.672 1.00 1.00 H new ATOM 0 HB2 GLN A 142 -23.035 -9.076 7.707 1.00 1.00 H new ATOM 0 HB3 GLN A 142 -24.627 -9.414 7.056 1.00 1.00 H new ATOM 0 HG2 GLN A 142 -24.249 -10.959 8.843 1.00 1.00 H new ATOM 0 HG3 GLN A 142 -24.191 -11.863 7.343 1.00 1.00 H new ATOM 0 HE21 GLN A 142 -21.381 -9.898 8.540 1.00 1.00 H new ATOM 0 HE22 GLN A 142 -20.374 -11.316 8.854 1.00 1.00 H new ATOM 2287 N GLN A 143 -23.388 -9.813 3.349 1.00 1.00 N ATOM 2288 CA GLN A 143 -24.095 -9.523 2.114 1.00 1.00 C ATOM 2289 C GLN A 143 -23.730 -10.626 1.130 1.00 1.00 C ATOM 2290 O GLN A 143 -23.662 -11.802 1.559 1.00 1.00 O ATOM 2291 CB GLN A 143 -23.681 -8.108 1.685 1.00 1.00 C ATOM 2292 CG GLN A 143 -24.572 -7.405 0.654 1.00 1.00 C ATOM 2293 CD GLN A 143 -24.225 -5.914 0.533 1.00 1.00 C ATOM 2294 OE1 GLN A 143 -25.104 -5.051 0.480 1.00 1.00 O ATOM 2295 NE2 GLN A 143 -22.949 -5.563 0.498 1.00 1.00 N ATOM 0 H GLN A 143 -22.450 -10.184 3.200 1.00 1.00 H new ATOM 0 HA GLN A 143 -25.182 -9.520 2.196 1.00 1.00 H new ATOM 0 HB2 GLN A 143 -23.637 -7.483 2.577 1.00 1.00 H new ATOM 0 HB3 GLN A 143 -22.670 -8.159 1.281 1.00 1.00 H new ATOM 0 HG2 GLN A 143 -24.456 -7.886 -0.317 1.00 1.00 H new ATOM 0 HG3 GLN A 143 -25.618 -7.514 0.941 1.00 1.00 H new ATOM 0 HE21 GLN A 143 -22.222 -6.277 0.542 1.00 1.00 H new ATOM 0 HE22 GLN A 143 -22.693 -4.578 0.427 1.00 1.00 H new