USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1053 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 130 THR OG1 : rot 180:sc= -0.0842 USER MOD Set 1.2: A 131 ASN : amide:sc= -0.372 X(o=-0.38,f=-0.026) USER MOD Set 1.3: A 135 LYS NZ :NH3+ 152:sc= 0.0713 (180deg=-0.476) USER MOD Set 2.1: A 20 TYR OH : rot 150:sc= -1.41 USER MOD Set 2.2: A 77 SER OG : rot 144:sc= 0.685 USER MOD Set 3.1: A 19 CYS SG : rot 23:sc= 0.31 USER MOD Set 3.2: A 72 MET CE :methyl -114:sc= -5.45 (180deg=-9.28!) USER MOD Set 4.1: A 45 CYS SG : rot -117:sc= -1.53 USER MOD Set 4.2: A 69 CYS SG : rot -75:sc= -1.88 USER MOD Single : A 10 MET CE :methyl 168:sc= -0.704 (180deg=-1.01) USER MOD Single : A 21 CYS SG : rot -100:sc= -2.94 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -2.37 K(o=-2.4,f=-1.5) USER MOD Single : A 31 MET CE :methyl 144:sc= -0.702 (180deg=-1.78!) USER MOD Single : A 34 GLN : amide:sc= -0.0922 X(o=-0.092,f=-0.55) USER MOD Single : A 37 GLN : amide:sc= -0.817 X(o=-0.82,f=-0.67) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0544) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0476 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 70:sc= -2.33 USER MOD Single : A 82 GLN : amide:sc= -0.046 X(o=-0.046,f=-0.046) USER MOD Single : A 83 SER OG : rot 170:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot -20:sc= -0.458 USER MOD Single : A 89 GLN : amide:sc= -2.81! C(o=-2.8!,f=-4.6!) USER MOD Single : A 90 THR OG1 : rot 88:sc= 1.18 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -60:sc= 0.439 USER MOD Single : A 97 SER OG : rot 180:sc= -0.91 USER MOD Single : A 101 HIS : no HD1:sc= -0.0816 X(o=-0.082,f=-0.0061) USER MOD Single : A 102 GLN : amide:sc= -0.82 K(o=-0.82,f=-0.29) USER MOD Single : A 103 LYS NZ :NH3+ 173:sc= -0.0721 (180deg=-0.152) USER MOD Single : A 109 LYS NZ :NH3+ 179:sc=-0.00939 (180deg=-0.00957) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 MET CE :methyl 137:sc= -6.42! (180deg=-13.8!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 158:sc= -2.58! (180deg=-5.19!) USER MOD Single : A 119 SER OG : rot 60:sc= 1.13 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot -65:sc= 1.59 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 60:sc= 0.328 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 10 -6.968 -11.471 -13.426 1.00 0.00 N ATOM 20 CA MET A 10 -6.610 -11.622 -12.020 1.00 0.00 C ATOM 21 C MET A 10 -5.804 -12.902 -11.796 1.00 0.00 C ATOM 22 O MET A 10 -6.345 -14.004 -11.886 1.00 0.00 O ATOM 23 CB MET A 10 -7.871 -11.644 -11.154 1.00 0.00 C ATOM 24 CG MET A 10 -7.652 -11.113 -9.746 1.00 0.00 C ATOM 25 SD MET A 10 -8.910 -9.921 -9.245 1.00 0.00 S ATOM 26 CE MET A 10 -9.642 -10.767 -7.848 1.00 0.00 C ATOM 0 HA MET A 10 -5.992 -10.771 -11.734 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.646 -11.051 -11.640 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.243 -12.667 -11.094 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.649 -11.947 -9.044 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.670 -10.644 -9.688 1.00 0.00 H new ATOM 0 HE1 MET A 10 -10.284 -10.077 -7.301 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.234 -11.610 -8.203 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.854 -11.129 -7.188 1.00 0.00 H new ATOM 36 N PRO A 11 -4.496 -12.777 -11.501 1.00 0.00 N ATOM 37 CA PRO A 11 -3.627 -13.937 -11.266 1.00 0.00 C ATOM 38 C PRO A 11 -3.947 -14.647 -9.954 1.00 0.00 C ATOM 39 O PRO A 11 -4.971 -14.382 -9.325 1.00 0.00 O ATOM 40 CB PRO A 11 -2.227 -13.324 -11.212 1.00 0.00 C ATOM 41 CG PRO A 11 -2.449 -11.921 -10.769 1.00 0.00 C ATOM 42 CD PRO A 11 -3.760 -11.504 -11.374 1.00 0.00 C ATOM 0 HA PRO A 11 -3.746 -14.698 -12.037 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.585 -13.863 -10.515 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.741 -13.360 -12.187 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.481 -11.855 -9.682 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.640 -11.272 -11.104 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.289 -10.795 -10.737 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.621 -11.021 -12.341 1.00 0.00 H new ATOM 50 N GLU A 12 -3.059 -15.548 -9.548 1.00 0.00 N ATOM 51 CA GLU A 12 -3.239 -16.298 -8.309 1.00 0.00 C ATOM 52 C GLU A 12 -2.382 -15.710 -7.192 1.00 0.00 C ATOM 53 O GLU A 12 -2.749 -15.766 -6.019 1.00 0.00 O ATOM 54 CB GLU A 12 -2.879 -17.769 -8.521 1.00 0.00 C ATOM 55 CG GLU A 12 -3.860 -18.514 -9.412 1.00 0.00 C ATOM 56 CD GLU A 12 -3.766 -20.018 -9.253 1.00 0.00 C ATOM 57 OE1 GLU A 12 -3.988 -20.512 -8.128 1.00 0.00 O ATOM 58 OE2 GLU A 12 -3.471 -20.704 -10.255 1.00 0.00 O ATOM 0 H GLU A 12 -2.206 -15.777 -10.059 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.287 -16.227 -8.018 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.883 -17.831 -8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.832 -18.266 -7.552 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.874 -18.191 -9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.672 -18.250 -10.453 1.00 0.00 H new ATOM 65 N ARG A 13 -1.239 -15.145 -7.566 1.00 0.00 N ATOM 66 CA ARG A 13 -0.328 -14.543 -6.599 1.00 0.00 C ATOM 67 C ARG A 13 -0.085 -13.074 -6.931 1.00 0.00 C ATOM 68 O ARG A 13 0.292 -12.737 -8.053 1.00 0.00 O ATOM 69 CB ARG A 13 1.001 -15.300 -6.575 1.00 0.00 C ATOM 70 CG ARG A 13 0.843 -16.804 -6.418 1.00 0.00 C ATOM 71 CD ARG A 13 1.015 -17.235 -4.970 1.00 0.00 C ATOM 72 NE ARG A 13 2.391 -17.069 -4.510 1.00 0.00 N ATOM 73 CZ ARG A 13 2.894 -17.682 -3.440 1.00 0.00 C ATOM 74 NH1 ARG A 13 2.138 -18.500 -2.719 1.00 0.00 N ATOM 75 NH2 ARG A 13 4.157 -17.476 -3.090 1.00 0.00 N ATOM 0 H ARG A 13 -0.921 -15.091 -8.534 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.788 -14.606 -5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.543 -15.095 -7.498 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.611 -14.920 -5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.142 -17.106 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.578 -17.315 -7.040 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.348 -16.651 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.721 -18.279 -4.865 1.00 0.00 H new ATOM 0 HE ARG A 13 3.003 -16.447 -5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.166 -18.662 -2.983 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.529 -18.967 -1.901 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.743 -16.848 -3.640 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.542 -17.945 -2.270 1.00 0.00 H new ATOM 89 N PHE A 14 -0.306 -12.205 -5.950 1.00 0.00 N ATOM 90 CA PHE A 14 -0.111 -10.773 -6.143 1.00 0.00 C ATOM 91 C PHE A 14 1.027 -10.255 -5.274 1.00 0.00 C ATOM 92 O PHE A 14 1.410 -10.887 -4.290 1.00 0.00 O ATOM 93 CB PHE A 14 -1.399 -10.016 -5.824 1.00 0.00 C ATOM 94 CG PHE A 14 -2.599 -10.536 -6.561 1.00 0.00 C ATOM 95 CD1 PHE A 14 -3.176 -11.743 -6.205 1.00 0.00 C ATOM 96 CD2 PHE A 14 -3.147 -9.818 -7.612 1.00 0.00 C ATOM 97 CE1 PHE A 14 -4.278 -12.226 -6.884 1.00 0.00 C ATOM 98 CE2 PHE A 14 -4.250 -10.295 -8.294 1.00 0.00 C ATOM 99 CZ PHE A 14 -4.817 -11.501 -7.929 1.00 0.00 C ATOM 0 H PHE A 14 -0.620 -12.467 -5.015 1.00 0.00 H new ATOM 0 HA PHE A 14 0.152 -10.605 -7.187 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.588 -10.073 -4.752 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.261 -8.963 -6.068 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.760 -12.313 -5.388 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.707 -8.875 -7.901 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.718 -13.170 -6.598 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.668 -9.726 -9.111 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.680 -11.876 -8.460 1.00 0.00 H new ATOM 109 N ASP A 15 1.563 -9.100 -5.648 1.00 0.00 N ATOM 110 CA ASP A 15 2.660 -8.494 -4.908 1.00 0.00 C ATOM 111 C ASP A 15 2.155 -7.818 -3.639 1.00 0.00 C ATOM 112 O ASP A 15 2.416 -8.288 -2.532 1.00 0.00 O ATOM 113 CB ASP A 15 3.393 -7.478 -5.787 1.00 0.00 C ATOM 114 CG ASP A 15 4.900 -7.605 -5.683 1.00 0.00 C ATOM 115 OD1 ASP A 15 5.419 -7.594 -4.546 1.00 0.00 O ATOM 116 OD2 ASP A 15 5.561 -7.714 -6.737 1.00 0.00 O ATOM 0 H ASP A 15 1.255 -8.565 -6.460 1.00 0.00 H new ATOM 0 HA ASP A 15 3.354 -9.285 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.090 -7.615 -6.825 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.095 -6.470 -5.498 1.00 0.00 H new ATOM 121 N ALA A 16 1.435 -6.713 -3.804 1.00 0.00 N ATOM 122 CA ALA A 16 0.904 -5.978 -2.660 1.00 0.00 C ATOM 123 C ALA A 16 -0.492 -5.426 -2.940 1.00 0.00 C ATOM 124 O ALA A 16 -1.024 -5.568 -4.040 1.00 0.00 O ATOM 125 CB ALA A 16 1.848 -4.844 -2.279 1.00 0.00 C ATOM 0 H ALA A 16 1.207 -6.308 -4.712 1.00 0.00 H new ATOM 0 HA ALA A 16 0.824 -6.677 -1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.441 -4.303 -1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.823 -5.255 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.956 -4.162 -3.122 1.00 0.00 H new ATOM 131 N PHE A 17 -1.073 -4.792 -1.927 1.00 0.00 N ATOM 132 CA PHE A 17 -2.404 -4.207 -2.047 1.00 0.00 C ATOM 133 C PHE A 17 -2.415 -2.787 -1.493 1.00 0.00 C ATOM 134 O PHE A 17 -1.918 -2.535 -0.395 1.00 0.00 O ATOM 135 CB PHE A 17 -3.433 -5.067 -1.307 1.00 0.00 C ATOM 136 CG PHE A 17 -4.836 -4.531 -1.377 1.00 0.00 C ATOM 137 CD1 PHE A 17 -5.196 -3.399 -0.664 1.00 0.00 C ATOM 138 CD2 PHE A 17 -5.795 -5.160 -2.156 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.486 -2.904 -0.725 1.00 0.00 C ATOM 140 CE2 PHE A 17 -7.085 -4.669 -2.222 1.00 0.00 C ATOM 141 CZ PHE A 17 -7.431 -3.540 -1.505 1.00 0.00 C ATOM 0 H PHE A 17 -0.642 -4.670 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.669 -4.172 -3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.418 -6.074 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.138 -5.150 -0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.460 -2.897 -0.053 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.531 -6.044 -2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.754 -2.021 -0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.822 -5.168 -2.834 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.439 -3.156 -1.555 1.00 0.00 H new ATOM 151 N ILE A 18 -2.982 -1.858 -2.255 1.00 0.00 N ATOM 152 CA ILE A 18 -3.051 -0.466 -1.833 1.00 0.00 C ATOM 153 C ILE A 18 -4.291 -0.213 -0.979 1.00 0.00 C ATOM 154 O ILE A 18 -5.418 -0.458 -1.412 1.00 0.00 O ATOM 155 CB ILE A 18 -3.027 0.498 -3.052 1.00 0.00 C ATOM 156 CG1 ILE A 18 -1.783 1.388 -2.998 1.00 0.00 C ATOM 157 CG2 ILE A 18 -4.286 1.357 -3.121 1.00 0.00 C ATOM 158 CD1 ILE A 18 -0.539 0.725 -3.548 1.00 0.00 C ATOM 0 H ILE A 18 -3.400 -2.044 -3.167 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.168 -0.266 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.995 -0.113 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.976 2.302 -3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.601 1.682 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.229 2.017 -3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.161 0.713 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.368 1.956 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.302 1.415 -3.477 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.321 -0.174 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.701 0.456 -4.592 1.00 0.00 H new ATOM 170 N CYS A 19 -4.075 0.274 0.236 1.00 0.00 N ATOM 171 CA CYS A 19 -5.173 0.562 1.155 1.00 0.00 C ATOM 172 C CYS A 19 -5.376 2.069 1.318 1.00 0.00 C ATOM 173 O CYS A 19 -4.693 2.714 2.115 1.00 0.00 O ATOM 174 CB CYS A 19 -4.904 -0.076 2.519 1.00 0.00 C ATOM 175 SG CYS A 19 -5.656 -1.707 2.734 1.00 0.00 S ATOM 0 H CYS A 19 -3.148 0.479 0.610 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.083 0.137 0.732 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.827 -0.163 2.661 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.276 0.589 3.299 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.861 -2.247 1.569 1.00 0.00 H new ATOM 181 N TYR A 20 -6.320 2.621 0.559 1.00 0.00 N ATOM 182 CA TYR A 20 -6.617 4.050 0.623 1.00 0.00 C ATOM 183 C TYR A 20 -8.103 4.315 0.392 1.00 0.00 C ATOM 184 O TYR A 20 -8.828 3.452 -0.100 1.00 0.00 O ATOM 185 CB TYR A 20 -5.782 4.816 -0.404 1.00 0.00 C ATOM 186 CG TYR A 20 -5.755 6.312 -0.177 1.00 0.00 C ATOM 187 CD1 TYR A 20 -5.612 6.843 1.101 1.00 0.00 C ATOM 188 CD2 TYR A 20 -5.869 7.194 -1.241 1.00 0.00 C ATOM 189 CE1 TYR A 20 -5.584 8.209 1.306 1.00 0.00 C ATOM 190 CE2 TYR A 20 -5.842 8.561 -1.045 1.00 0.00 C ATOM 191 CZ TYR A 20 -5.699 9.063 0.231 1.00 0.00 C ATOM 192 OH TYR A 20 -5.672 10.424 0.430 1.00 0.00 O ATOM 0 H TYR A 20 -6.892 2.101 -0.107 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.359 4.400 1.622 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.760 4.436 -0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.176 4.616 -1.400 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.521 6.177 1.946 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.981 6.805 -2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.472 8.606 2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.932 9.232 -1.886 1.00 0.00 H new ATOM 0 HH TYR A 20 -5.292 10.863 -0.360 1.00 0.00 H new ATOM 202 N CYS A 21 -8.547 5.517 0.751 1.00 0.00 N ATOM 203 CA CYS A 21 -9.945 5.905 0.585 1.00 0.00 C ATOM 204 C CYS A 21 -10.220 6.357 -0.850 1.00 0.00 C ATOM 205 O CYS A 21 -9.321 6.836 -1.542 1.00 0.00 O ATOM 206 CB CYS A 21 -10.302 7.023 1.566 1.00 0.00 C ATOM 207 SG CYS A 21 -11.648 6.609 2.702 1.00 0.00 S ATOM 0 H CYS A 21 -7.957 6.241 1.160 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.567 5.035 0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.416 7.278 2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.579 7.913 1.001 1.00 0.00 H new ATOM 0 HG CYS A 21 -12.755 7.141 2.276 1.00 0.00 H new ATOM 213 N PRO A 22 -11.473 6.204 -1.317 1.00 0.00 N ATOM 214 CA PRO A 22 -11.868 6.594 -2.675 1.00 0.00 C ATOM 215 C PRO A 22 -12.051 8.103 -2.841 1.00 0.00 C ATOM 216 O PRO A 22 -12.437 8.571 -3.913 1.00 0.00 O ATOM 217 CB PRO A 22 -13.202 5.873 -2.864 1.00 0.00 C ATOM 218 CG PRO A 22 -13.774 5.780 -1.493 1.00 0.00 C ATOM 219 CD PRO A 22 -12.603 5.635 -0.557 1.00 0.00 C ATOM 0 HA PRO A 22 -11.104 6.331 -3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.861 6.427 -3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.060 4.885 -3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.356 6.670 -1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.447 4.927 -1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.768 6.172 0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.425 4.591 -0.297 1.00 0.00 H new ATOM 227 N SER A 23 -11.773 8.864 -1.785 1.00 0.00 N ATOM 228 CA SER A 23 -11.909 10.313 -1.835 1.00 0.00 C ATOM 229 C SER A 23 -10.801 10.915 -2.683 1.00 0.00 C ATOM 230 O SER A 23 -11.028 11.846 -3.457 1.00 0.00 O ATOM 231 CB SER A 23 -11.870 10.903 -0.423 1.00 0.00 C ATOM 232 OG SER A 23 -13.021 10.532 0.316 1.00 0.00 O ATOM 0 H SER A 23 -11.453 8.500 -0.887 1.00 0.00 H new ATOM 0 HA SER A 23 -12.871 10.555 -2.287 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.975 10.558 0.094 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.806 11.990 -0.481 1.00 0.00 H new ATOM 0 HG SER A 23 -12.972 10.920 1.215 1.00 0.00 H new ATOM 238 N ASP A 24 -9.600 10.366 -2.539 1.00 0.00 N ATOM 239 CA ASP A 24 -8.454 10.837 -3.298 1.00 0.00 C ATOM 240 C ASP A 24 -7.637 9.661 -3.823 1.00 0.00 C ATOM 241 O ASP A 24 -6.419 9.758 -3.984 1.00 0.00 O ATOM 242 CB ASP A 24 -7.574 11.744 -2.437 1.00 0.00 C ATOM 243 CG ASP A 24 -6.468 12.406 -3.235 1.00 0.00 C ATOM 244 OD1 ASP A 24 -6.787 13.177 -4.166 1.00 0.00 O ATOM 245 OD2 ASP A 24 -5.283 12.153 -2.933 1.00 0.00 O ATOM 0 H ASP A 24 -9.398 9.595 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.823 11.412 -4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.193 12.512 -1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.135 11.158 -1.629 1.00 0.00 H new ATOM 250 N ILE A 25 -8.317 8.550 -4.083 1.00 0.00 N ATOM 251 CA ILE A 25 -7.665 7.347 -4.584 1.00 0.00 C ATOM 252 C ILE A 25 -7.059 7.579 -5.966 1.00 0.00 C ATOM 253 O ILE A 25 -5.941 7.145 -6.244 1.00 0.00 O ATOM 254 CB ILE A 25 -8.656 6.166 -4.643 1.00 0.00 C ATOM 255 CG1 ILE A 25 -7.904 4.839 -4.813 1.00 0.00 C ATOM 256 CG2 ILE A 25 -9.680 6.371 -5.752 1.00 0.00 C ATOM 257 CD1 ILE A 25 -7.562 4.493 -6.249 1.00 0.00 C ATOM 0 H ILE A 25 -9.325 8.458 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.862 7.101 -3.889 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.199 6.124 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.982 4.881 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.509 4.036 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.367 5.525 -5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.239 7.288 -5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.168 6.446 -6.711 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.032 3.541 -6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.479 4.416 -6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.928 5.273 -6.670 1.00 0.00 H new ATOM 269 N GLN A 26 -7.809 8.268 -6.827 1.00 0.00 N ATOM 270 CA GLN A 26 -7.360 8.567 -8.189 1.00 0.00 C ATOM 271 C GLN A 26 -5.872 8.902 -8.231 1.00 0.00 C ATOM 272 O GLN A 26 -5.145 8.446 -9.117 1.00 0.00 O ATOM 273 CB GLN A 26 -8.169 9.731 -8.765 1.00 0.00 C ATOM 274 CG GLN A 26 -9.653 9.431 -8.900 1.00 0.00 C ATOM 275 CD GLN A 26 -10.504 10.685 -8.876 1.00 0.00 C ATOM 276 OE1 GLN A 26 -10.516 11.461 -9.832 1.00 0.00 O ATOM 277 NE2 GLN A 26 -11.224 10.889 -7.779 1.00 0.00 N ATOM 0 H GLN A 26 -8.736 8.632 -6.604 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.521 7.674 -8.794 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.040 10.604 -8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.769 9.991 -9.745 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.828 8.895 -9.833 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.962 8.771 -8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.184 10.219 -7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.817 11.715 -7.705 1.00 0.00 H new ATOM 286 N PHE A 27 -5.423 9.691 -7.265 1.00 0.00 N ATOM 287 CA PHE A 27 -4.021 10.082 -7.186 1.00 0.00 C ATOM 288 C PHE A 27 -3.140 8.867 -6.915 1.00 0.00 C ATOM 289 O PHE A 27 -2.160 8.625 -7.621 1.00 0.00 O ATOM 290 CB PHE A 27 -3.823 11.128 -6.086 1.00 0.00 C ATOM 291 CG PHE A 27 -2.571 11.944 -6.248 1.00 0.00 C ATOM 292 CD1 PHE A 27 -1.325 11.344 -6.184 1.00 0.00 C ATOM 293 CD2 PHE A 27 -2.645 13.311 -6.463 1.00 0.00 C ATOM 294 CE1 PHE A 27 -0.173 12.093 -6.332 1.00 0.00 C ATOM 295 CE2 PHE A 27 -1.496 14.065 -6.611 1.00 0.00 C ATOM 296 CZ PHE A 27 -0.258 13.455 -6.546 1.00 0.00 C ATOM 0 H PHE A 27 -6.010 10.074 -6.524 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.731 10.516 -8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.683 11.797 -6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.796 10.625 -5.119 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.252 10.280 -6.017 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.610 13.792 -6.515 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.793 11.614 -6.280 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.566 15.130 -6.777 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.641 14.042 -6.662 1.00 0.00 H new ATOM 306 N VAL A 28 -3.499 8.104 -5.888 1.00 0.00 N ATOM 307 CA VAL A 28 -2.746 6.912 -5.522 1.00 0.00 C ATOM 308 C VAL A 28 -2.674 5.929 -6.686 1.00 0.00 C ATOM 309 O VAL A 28 -1.588 5.577 -7.142 1.00 0.00 O ATOM 310 CB VAL A 28 -3.366 6.206 -4.301 1.00 0.00 C ATOM 311 CG1 VAL A 28 -2.480 5.061 -3.838 1.00 0.00 C ATOM 312 CG2 VAL A 28 -3.596 7.200 -3.174 1.00 0.00 C ATOM 0 H VAL A 28 -4.307 8.291 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.739 7.240 -5.266 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.330 5.791 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.935 4.575 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.369 4.337 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.500 5.449 -3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.034 6.686 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.645 7.645 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.274 7.984 -3.513 1.00 0.00 H new ATOM 322 N GLN A 29 -3.838 5.493 -7.167 1.00 0.00 N ATOM 323 CA GLN A 29 -3.902 4.553 -8.276 1.00 0.00 C ATOM 324 C GLN A 29 -2.983 4.986 -9.412 1.00 0.00 C ATOM 325 O GLN A 29 -2.356 4.155 -10.064 1.00 0.00 O ATOM 326 CB GLN A 29 -5.338 4.429 -8.780 1.00 0.00 C ATOM 327 CG GLN A 29 -5.959 5.752 -9.193 1.00 0.00 C ATOM 328 CD GLN A 29 -7.205 5.571 -10.039 1.00 0.00 C ATOM 329 OE1 GLN A 29 -7.123 5.415 -11.258 1.00 0.00 O ATOM 330 NE2 GLN A 29 -8.366 5.590 -9.395 1.00 0.00 N ATOM 0 H GLN A 29 -4.747 5.778 -6.803 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.566 3.580 -7.917 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.357 3.748 -9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.950 3.979 -7.998 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.210 6.326 -8.301 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.226 6.335 -9.751 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.386 5.722 -8.384 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.238 5.472 -9.911 1.00 0.00 H new ATOM 339 N GLU A 30 -2.894 6.295 -9.634 1.00 0.00 N ATOM 340 CA GLU A 30 -2.033 6.828 -10.681 1.00 0.00 C ATOM 341 C GLU A 30 -0.580 6.456 -10.402 1.00 0.00 C ATOM 342 O GLU A 30 0.152 6.037 -11.299 1.00 0.00 O ATOM 343 CB GLU A 30 -2.181 8.347 -10.772 1.00 0.00 C ATOM 344 CG GLU A 30 -2.186 8.873 -12.199 1.00 0.00 C ATOM 345 CD GLU A 30 -0.899 9.588 -12.562 1.00 0.00 C ATOM 346 OE1 GLU A 30 -0.364 10.321 -11.705 1.00 0.00 O ATOM 347 OE2 GLU A 30 -0.426 9.413 -13.704 1.00 0.00 O ATOM 0 H GLU A 30 -3.405 7.001 -9.105 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.333 6.393 -11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.108 8.644 -10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.365 8.817 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.343 8.043 -12.888 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.025 9.556 -12.327 1.00 0.00 H new ATOM 354 N MET A 31 -0.178 6.603 -9.144 1.00 0.00 N ATOM 355 CA MET A 31 1.181 6.277 -8.731 1.00 0.00 C ATOM 356 C MET A 31 1.404 4.767 -8.762 1.00 0.00 C ATOM 357 O MET A 31 2.441 4.290 -9.220 1.00 0.00 O ATOM 358 CB MET A 31 1.446 6.824 -7.323 1.00 0.00 C ATOM 359 CG MET A 31 2.722 6.294 -6.680 1.00 0.00 C ATOM 360 SD MET A 31 2.920 6.845 -4.977 1.00 0.00 S ATOM 361 CE MET A 31 1.335 6.382 -4.285 1.00 0.00 C ATOM 0 H MET A 31 -0.776 6.946 -8.392 1.00 0.00 H new ATOM 0 HA MET A 31 1.878 6.741 -9.429 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.501 7.912 -7.372 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.599 6.576 -6.683 1.00 0.00 H new ATOM 0 HG2 MET A 31 2.712 5.204 -6.707 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.582 6.620 -7.266 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.471 6.047 -3.257 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.666 7.242 -4.301 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.902 5.574 -4.875 1.00 0.00 H new ATOM 371 N ILE A 32 0.420 4.021 -8.265 1.00 0.00 N ATOM 372 CA ILE A 32 0.508 2.565 -8.232 1.00 0.00 C ATOM 373 C ILE A 32 0.585 1.982 -9.640 1.00 0.00 C ATOM 374 O ILE A 32 1.541 1.282 -9.978 1.00 0.00 O ATOM 375 CB ILE A 32 -0.698 1.946 -7.494 1.00 0.00 C ATOM 376 CG1 ILE A 32 -0.925 2.642 -6.145 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.487 0.453 -7.293 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.351 2.926 -5.377 1.00 0.00 C ATOM 0 H ILE A 32 -0.445 4.401 -7.881 1.00 0.00 H new ATOM 0 HA ILE A 32 1.422 2.317 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.587 2.092 -8.108 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.451 3.581 -6.316 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.576 2.019 -5.531 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.346 0.031 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.377 -0.033 -8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.413 0.289 -6.701 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.107 3.419 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.869 1.989 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.996 3.575 -5.970 1.00 0.00 H new ATOM 390 N ARG A 33 -0.419 2.277 -10.459 1.00 0.00 N ATOM 391 CA ARG A 33 -0.458 1.785 -11.827 1.00 0.00 C ATOM 392 C ARG A 33 0.809 2.179 -12.581 1.00 0.00 C ATOM 393 O ARG A 33 1.282 1.444 -13.449 1.00 0.00 O ATOM 394 CB ARG A 33 -1.692 2.331 -12.545 1.00 0.00 C ATOM 395 CG ARG A 33 -1.699 3.845 -12.688 1.00 0.00 C ATOM 396 CD ARG A 33 -1.504 4.271 -14.135 1.00 0.00 C ATOM 397 NE ARG A 33 -2.777 4.507 -14.811 1.00 0.00 N ATOM 398 CZ ARG A 33 -2.885 4.846 -16.095 1.00 0.00 C ATOM 399 NH1 ARG A 33 -1.798 4.988 -16.842 1.00 0.00 N ATOM 400 NH2 ARG A 33 -4.081 5.040 -16.632 1.00 0.00 N ATOM 0 H ARG A 33 -1.217 2.856 -10.196 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.515 0.697 -11.801 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.753 1.881 -13.536 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.584 2.023 -12.000 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.643 4.242 -12.315 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.908 4.273 -12.072 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.902 5.179 -14.168 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.948 3.500 -14.668 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.634 4.406 -14.268 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.875 4.838 -16.434 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.885 5.248 -17.825 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.920 4.930 -16.062 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.163 5.300 -17.615 1.00 0.00 H new ATOM 414 N GLN A 34 1.364 3.336 -12.230 1.00 0.00 N ATOM 415 CA GLN A 34 2.584 3.818 -12.862 1.00 0.00 C ATOM 416 C GLN A 34 3.794 3.058 -12.330 1.00 0.00 C ATOM 417 O GLN A 34 4.841 3.006 -12.974 1.00 0.00 O ATOM 418 CB GLN A 34 2.757 5.317 -12.614 1.00 0.00 C ATOM 419 CG GLN A 34 3.823 5.959 -13.487 1.00 0.00 C ATOM 420 CD GLN A 34 3.872 7.466 -13.336 1.00 0.00 C ATOM 421 OE1 GLN A 34 4.680 8.001 -12.576 1.00 0.00 O ATOM 422 NE2 GLN A 34 3.003 8.162 -14.059 1.00 0.00 N ATOM 0 H GLN A 34 0.987 3.955 -11.512 1.00 0.00 H new ATOM 0 HA GLN A 34 2.506 3.647 -13.936 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.805 5.818 -12.790 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.013 5.476 -11.566 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.797 5.540 -13.232 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.632 5.708 -14.530 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.351 7.679 -14.676 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.988 9.180 -13.997 1.00 0.00 H new ATOM 431 N LEU A 35 3.640 2.470 -11.148 1.00 0.00 N ATOM 432 CA LEU A 35 4.712 1.711 -10.524 1.00 0.00 C ATOM 433 C LEU A 35 4.769 0.289 -11.077 1.00 0.00 C ATOM 434 O LEU A 35 5.818 -0.355 -11.051 1.00 0.00 O ATOM 435 CB LEU A 35 4.512 1.673 -9.008 1.00 0.00 C ATOM 436 CG LEU A 35 4.961 2.931 -8.265 1.00 0.00 C ATOM 437 CD1 LEU A 35 4.393 2.946 -6.852 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.479 3.016 -8.233 1.00 0.00 C ATOM 0 H LEU A 35 2.779 2.506 -10.603 1.00 0.00 H new ATOM 0 HA LEU A 35 5.657 2.205 -10.751 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.455 1.504 -8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.056 0.818 -8.606 1.00 0.00 H new ATOM 0 HG LEU A 35 4.580 3.802 -8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.722 3.848 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.304 2.931 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.745 2.069 -6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.782 3.918 -7.700 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.882 2.141 -7.723 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.863 3.051 -9.253 1.00 0.00 H new ATOM 450 N GLU A 36 3.635 -0.197 -11.573 1.00 0.00 N ATOM 451 CA GLU A 36 3.557 -1.544 -12.128 1.00 0.00 C ATOM 452 C GLU A 36 4.058 -1.574 -13.567 1.00 0.00 C ATOM 453 O GLU A 36 4.757 -2.504 -13.972 1.00 0.00 O ATOM 454 CB GLU A 36 2.120 -2.063 -12.066 1.00 0.00 C ATOM 455 CG GLU A 36 1.492 -1.953 -10.686 1.00 0.00 C ATOM 456 CD GLU A 36 0.132 -2.617 -10.610 1.00 0.00 C ATOM 457 OE1 GLU A 36 -0.018 -3.729 -11.160 1.00 0.00 O ATOM 458 OE2 GLU A 36 -0.785 -2.025 -10.000 1.00 0.00 O ATOM 0 H GLU A 36 2.757 0.322 -11.602 1.00 0.00 H new ATOM 0 HA GLU A 36 4.197 -2.191 -11.528 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.511 -1.507 -12.779 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.106 -3.107 -12.380 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.156 -2.408 -9.951 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.394 -0.901 -10.418 1.00 0.00 H new ATOM 465 N GLN A 37 3.697 -0.554 -14.332 1.00 0.00 N ATOM 466 CA GLN A 37 4.108 -0.463 -15.728 1.00 0.00 C ATOM 467 C GLN A 37 5.623 -0.328 -15.856 1.00 0.00 C ATOM 468 O GLN A 37 6.184 -0.532 -16.932 1.00 0.00 O ATOM 469 CB GLN A 37 3.420 0.724 -16.403 1.00 0.00 C ATOM 470 CG GLN A 37 3.420 1.991 -15.564 1.00 0.00 C ATOM 471 CD GLN A 37 3.900 3.204 -16.338 1.00 0.00 C ATOM 472 OE1 GLN A 37 3.533 3.401 -17.495 1.00 0.00 O ATOM 473 NE2 GLN A 37 4.728 4.023 -15.699 1.00 0.00 N ATOM 0 H GLN A 37 3.120 0.223 -14.011 1.00 0.00 H new ATOM 0 HA GLN A 37 3.808 -1.386 -16.225 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.916 0.928 -17.352 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.390 0.452 -16.634 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.412 2.177 -15.193 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.058 1.845 -14.692 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.006 3.820 -14.739 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.086 4.855 -16.169 1.00 0.00 H new ATOM 555 N LEU A 42 6.096 -5.541 -10.833 1.00 0.00 N ATOM 556 CA LEU A 42 5.283 -5.156 -9.686 1.00 0.00 C ATOM 557 C LEU A 42 3.815 -5.492 -9.927 1.00 0.00 C ATOM 558 O LEU A 42 3.266 -5.192 -10.988 1.00 0.00 O ATOM 559 CB LEU A 42 5.438 -3.663 -9.398 1.00 0.00 C ATOM 560 CG LEU A 42 5.362 -3.275 -7.921 1.00 0.00 C ATOM 561 CD1 LEU A 42 6.732 -3.388 -7.270 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.812 -1.865 -7.768 1.00 0.00 C ATOM 0 HA LEU A 42 5.630 -5.720 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.396 -3.330 -9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.662 -3.122 -9.940 1.00 0.00 H new ATOM 0 HG LEU A 42 4.684 -3.964 -7.418 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.660 -3.108 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.088 -4.415 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.431 -2.722 -7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.765 -1.606 -6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.465 -1.162 -8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.812 -1.816 -8.199 1.00 0.00 H new ATOM 574 N LYS A 43 3.186 -6.115 -8.938 1.00 0.00 N ATOM 575 CA LYS A 43 1.782 -6.493 -9.044 1.00 0.00 C ATOM 576 C LYS A 43 1.008 -6.075 -7.800 1.00 0.00 C ATOM 577 O LYS A 43 0.906 -6.833 -6.835 1.00 0.00 O ATOM 578 CB LYS A 43 1.653 -8.002 -9.257 1.00 0.00 C ATOM 579 CG LYS A 43 2.513 -8.531 -10.393 1.00 0.00 C ATOM 580 CD LYS A 43 1.805 -8.406 -11.734 1.00 0.00 C ATOM 581 CE LYS A 43 2.556 -7.482 -12.681 1.00 0.00 C ATOM 582 NZ LYS A 43 2.607 -8.028 -14.066 1.00 0.00 N ATOM 0 H LYS A 43 3.626 -6.369 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 43 1.357 -5.974 -9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.927 -8.515 -8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.610 -8.244 -9.459 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.454 -7.982 -10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.760 -9.576 -10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.708 -9.392 -12.188 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.795 -8.026 -11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.073 -6.505 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.571 -7.331 -12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.021 -7.319 -14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.191 -8.888 -14.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.644 -8.259 -14.384 1.00 0.00 H new ATOM 596 N LEU A 44 0.465 -4.864 -7.831 1.00 0.00 N ATOM 597 CA LEU A 44 -0.301 -4.341 -6.708 1.00 0.00 C ATOM 598 C LEU A 44 -1.793 -4.581 -6.910 1.00 0.00 C ATOM 599 O LEU A 44 -2.221 -5.011 -7.982 1.00 0.00 O ATOM 600 CB LEU A 44 -0.023 -2.849 -6.534 1.00 0.00 C ATOM 601 CG LEU A 44 1.089 -2.522 -5.538 1.00 0.00 C ATOM 602 CD1 LEU A 44 1.930 -1.352 -6.031 1.00 0.00 C ATOM 603 CD2 LEU A 44 0.498 -2.222 -4.171 1.00 0.00 C ATOM 0 H LEU A 44 0.541 -4.226 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 44 0.009 -4.867 -5.805 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.240 -2.426 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.940 -2.357 -6.209 1.00 0.00 H new ATOM 0 HG LEU A 44 1.741 -3.391 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.715 -1.137 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.381 -1.607 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.296 -0.473 -6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.300 -1.991 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.176 -1.369 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.055 -3.091 -3.815 1.00 0.00 H new ATOM 615 N CYS A 45 -2.585 -4.310 -5.875 1.00 0.00 N ATOM 616 CA CYS A 45 -4.029 -4.510 -5.956 1.00 0.00 C ATOM 617 C CYS A 45 -4.784 -3.435 -5.183 1.00 0.00 C ATOM 618 O CYS A 45 -4.217 -2.749 -4.335 1.00 0.00 O ATOM 619 CB CYS A 45 -4.406 -5.888 -5.416 1.00 0.00 C ATOM 620 SG CYS A 45 -3.241 -7.213 -5.865 1.00 0.00 S ATOM 0 H CYS A 45 -2.255 -3.954 -4.978 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.312 -4.441 -7.006 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.475 -5.833 -4.330 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.397 -6.151 -5.785 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.850 -8.096 -6.599 1.00 0.00 H new ATOM 625 N VAL A 46 -6.073 -3.303 -5.480 1.00 0.00 N ATOM 626 CA VAL A 46 -6.915 -2.318 -4.810 1.00 0.00 C ATOM 627 C VAL A 46 -8.295 -2.892 -4.510 1.00 0.00 C ATOM 628 O VAL A 46 -8.567 -4.061 -4.793 1.00 0.00 O ATOM 629 CB VAL A 46 -7.070 -1.040 -5.656 1.00 0.00 C ATOM 630 CG1 VAL A 46 -5.731 -0.333 -5.810 1.00 0.00 C ATOM 631 CG2 VAL A 46 -7.668 -1.368 -7.015 1.00 0.00 C ATOM 0 H VAL A 46 -6.557 -3.865 -6.180 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.420 -2.062 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.752 -0.365 -5.138 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.862 0.567 -6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.348 -0.061 -4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.023 -0.999 -6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.770 -0.453 -7.598 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.014 -2.063 -7.542 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.649 -1.824 -6.880 1.00 0.00 H new ATOM 641 N SER A 47 -9.166 -2.065 -3.943 1.00 0.00 N ATOM 642 CA SER A 47 -10.520 -2.492 -3.611 1.00 0.00 C ATOM 643 C SER A 47 -11.415 -2.454 -4.845 1.00 0.00 C ATOM 644 O SER A 47 -11.594 -1.404 -5.461 1.00 0.00 O ATOM 645 CB SER A 47 -11.105 -1.603 -2.513 1.00 0.00 C ATOM 646 OG SER A 47 -11.966 -2.340 -1.663 1.00 0.00 O ATOM 0 H SER A 47 -8.959 -1.095 -3.704 1.00 0.00 H new ATOM 0 HA SER A 47 -10.473 -3.518 -3.247 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.297 -1.166 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.655 -0.777 -2.964 1.00 0.00 H new ATOM 0 HG SER A 47 -12.325 -1.749 -0.969 1.00 0.00 H new ATOM 781 N VAL A 57 -9.349 -1.746 -14.605 1.00 0.00 N ATOM 782 CA VAL A 57 -8.165 -1.435 -13.816 1.00 0.00 C ATOM 783 C VAL A 57 -7.718 -2.641 -12.994 1.00 0.00 C ATOM 784 O VAL A 57 -8.417 -3.652 -12.931 1.00 0.00 O ATOM 785 CB VAL A 57 -8.418 -0.249 -12.866 1.00 0.00 C ATOM 786 CG1 VAL A 57 -8.507 1.053 -13.647 1.00 0.00 C ATOM 787 CG2 VAL A 57 -9.683 -0.478 -12.052 1.00 0.00 C ATOM 0 HA VAL A 57 -7.378 -1.166 -14.521 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.577 -0.174 -12.176 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.686 1.879 -12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.572 1.222 -14.181 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.327 0.993 -14.362 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.846 0.370 -11.387 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.535 -0.580 -12.724 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.576 -1.388 -11.461 1.00 0.00 H new ATOM 797 N TRP A 58 -6.553 -2.524 -12.366 1.00 0.00 N ATOM 798 CA TRP A 58 -6.017 -3.604 -11.549 1.00 0.00 C ATOM 799 C TRP A 58 -6.646 -3.590 -10.159 1.00 0.00 C ATOM 800 O TRP A 58 -6.472 -2.640 -9.399 1.00 0.00 O ATOM 801 CB TRP A 58 -4.497 -3.468 -11.433 1.00 0.00 C ATOM 802 CG TRP A 58 -3.773 -4.776 -11.512 1.00 0.00 C ATOM 803 CD1 TRP A 58 -4.082 -5.920 -10.838 1.00 0.00 C ATOM 804 CD2 TRP A 58 -2.619 -5.075 -12.306 1.00 0.00 C ATOM 805 NE1 TRP A 58 -3.190 -6.913 -11.162 1.00 0.00 N ATOM 806 CE2 TRP A 58 -2.284 -6.420 -12.064 1.00 0.00 C ATOM 807 CE3 TRP A 58 -1.839 -4.336 -13.201 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -1.202 -7.041 -12.681 1.00 0.00 C ATOM 809 CZ3 TRP A 58 -0.765 -4.955 -13.814 1.00 0.00 C ATOM 810 CH2 TRP A 58 -0.455 -6.294 -13.552 1.00 0.00 C ATOM 0 H TRP A 58 -5.963 -1.693 -12.408 1.00 0.00 H new ATOM 0 HA TRP A 58 -6.257 -4.552 -12.030 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.137 -2.814 -12.227 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.255 -2.984 -10.487 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.907 -6.029 -10.150 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.200 -7.863 -10.791 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.071 -3.302 -13.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.960 -8.074 -12.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.155 -4.395 -14.507 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.391 -6.748 -14.047 1.00 0.00 H new ATOM 821 N SER A 59 -7.381 -4.650 -9.836 1.00 0.00 N ATOM 822 CA SER A 59 -8.036 -4.753 -8.538 1.00 0.00 C ATOM 823 C SER A 59 -8.076 -6.198 -8.051 1.00 0.00 C ATOM 824 O SER A 59 -7.980 -7.134 -8.846 1.00 0.00 O ATOM 825 CB SER A 59 -9.456 -4.190 -8.616 1.00 0.00 C ATOM 826 OG SER A 59 -9.447 -2.835 -9.030 1.00 0.00 O ATOM 0 H SER A 59 -7.537 -5.447 -10.453 1.00 0.00 H new ATOM 0 HA SER A 59 -7.456 -4.169 -7.823 1.00 0.00 H new ATOM 0 HB2 SER A 59 -10.047 -4.783 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.937 -4.272 -7.641 1.00 0.00 H new ATOM 0 HG SER A 59 -10.367 -2.500 -9.073 1.00 0.00 H new ATOM 832 N ILE A 60 -8.228 -6.371 -6.742 1.00 0.00 N ATOM 833 CA ILE A 60 -8.292 -7.701 -6.149 1.00 0.00 C ATOM 834 C ILE A 60 -9.253 -7.729 -4.966 1.00 0.00 C ATOM 835 O ILE A 60 -9.425 -6.729 -4.272 1.00 0.00 O ATOM 836 CB ILE A 60 -6.899 -8.187 -5.684 1.00 0.00 C ATOM 837 CG1 ILE A 60 -6.837 -9.718 -5.707 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.580 -7.661 -4.287 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.704 -10.297 -4.883 1.00 0.00 C ATOM 0 H ILE A 60 -8.309 -5.606 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.656 -8.373 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.151 -7.796 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.782 -10.116 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.731 -10.053 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.596 -8.015 -3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.586 -6.571 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.330 -8.020 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.725 -11.385 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.752 -9.929 -5.265 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.819 -9.994 -3.842 1.00 0.00 H new ATOM 851 N ALA A 61 -9.863 -8.885 -4.729 1.00 0.00 N ATOM 852 CA ALA A 61 -10.785 -9.035 -3.615 1.00 0.00 C ATOM 853 C ALA A 61 -10.052 -8.828 -2.294 1.00 0.00 C ATOM 854 O ALA A 61 -8.937 -9.317 -2.109 1.00 0.00 O ATOM 855 CB ALA A 61 -11.452 -10.404 -3.654 1.00 0.00 C ATOM 0 H ALA A 61 -9.735 -9.726 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.563 -8.277 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.139 -10.498 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.004 -10.513 -4.587 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.691 -11.182 -3.590 1.00 0.00 H new ATOM 861 N SER A 62 -10.675 -8.092 -1.384 1.00 0.00 N ATOM 862 CA SER A 62 -10.072 -7.808 -0.085 1.00 0.00 C ATOM 863 C SER A 62 -9.821 -9.084 0.717 1.00 0.00 C ATOM 864 O SER A 62 -9.087 -9.066 1.704 1.00 0.00 O ATOM 865 CB SER A 62 -10.965 -6.859 0.716 1.00 0.00 C ATOM 866 OG SER A 62 -10.823 -5.524 0.264 1.00 0.00 O ATOM 0 H SER A 62 -11.598 -7.680 -1.519 1.00 0.00 H new ATOM 0 HA SER A 62 -9.108 -7.334 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.006 -7.169 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.708 -6.918 1.774 1.00 0.00 H new ATOM 0 HG SER A 62 -11.405 -4.937 0.790 1.00 0.00 H new ATOM 872 N GLU A 63 -10.429 -10.189 0.294 1.00 0.00 N ATOM 873 CA GLU A 63 -10.258 -11.460 0.987 1.00 0.00 C ATOM 874 C GLU A 63 -9.002 -12.185 0.507 1.00 0.00 C ATOM 875 O GLU A 63 -8.522 -13.109 1.164 1.00 0.00 O ATOM 876 CB GLU A 63 -11.486 -12.347 0.780 1.00 0.00 C ATOM 877 CG GLU A 63 -11.920 -12.456 -0.673 1.00 0.00 C ATOM 878 CD GLU A 63 -12.477 -13.823 -1.012 1.00 0.00 C ATOM 879 OE1 GLU A 63 -11.842 -14.832 -0.643 1.00 0.00 O ATOM 880 OE2 GLU A 63 -13.550 -13.885 -1.651 1.00 0.00 O ATOM 0 H GLU A 63 -11.041 -10.229 -0.521 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.145 -11.250 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.272 -13.345 1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.313 -11.951 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.675 -11.698 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.069 -12.244 -1.320 1.00 0.00 H new ATOM 887 N LEU A 64 -8.473 -11.766 -0.641 1.00 0.00 N ATOM 888 CA LEU A 64 -7.279 -12.383 -1.197 1.00 0.00 C ATOM 889 C LEU A 64 -6.017 -11.617 -0.805 1.00 0.00 C ATOM 890 O LEU A 64 -4.914 -11.980 -1.211 1.00 0.00 O ATOM 891 CB LEU A 64 -7.376 -12.458 -2.722 1.00 0.00 C ATOM 892 CG LEU A 64 -8.786 -12.371 -3.304 1.00 0.00 C ATOM 893 CD1 LEU A 64 -8.734 -12.345 -4.824 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.630 -13.536 -2.820 1.00 0.00 C ATOM 0 H LEU A 64 -8.854 -11.003 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.212 -13.390 -0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.778 -11.651 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.925 -13.394 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.246 -11.445 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.747 -12.283 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.161 -11.478 -5.154 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.257 -13.255 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.632 -13.460 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.172 -14.473 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.693 -13.512 -1.732 1.00 0.00 H new ATOM 906 N ILE A 65 -6.180 -10.552 -0.025 1.00 0.00 N ATOM 907 CA ILE A 65 -5.044 -9.746 0.399 1.00 0.00 C ATOM 908 C ILE A 65 -4.189 -10.487 1.422 1.00 0.00 C ATOM 909 O ILE A 65 -3.018 -10.774 1.177 1.00 0.00 O ATOM 910 CB ILE A 65 -5.493 -8.401 1.001 1.00 0.00 C ATOM 911 CG1 ILE A 65 -6.550 -7.742 0.111 1.00 0.00 C ATOM 912 CG2 ILE A 65 -4.295 -7.479 1.180 1.00 0.00 C ATOM 913 CD1 ILE A 65 -7.001 -6.385 0.608 1.00 0.00 C ATOM 0 H ILE A 65 -7.083 -10.230 0.324 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.451 -9.553 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.937 -8.588 1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.149 -7.635 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.416 -8.400 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.625 -6.532 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.573 -7.946 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.827 -7.298 0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.750 -5.979 -0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.432 -6.487 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.146 -5.710 0.651 1.00 0.00 H new ATOM 925 N GLU A 66 -4.781 -10.789 2.571 1.00 0.00 N ATOM 926 CA GLU A 66 -4.080 -11.490 3.636 1.00 0.00 C ATOM 927 C GLU A 66 -3.648 -12.889 3.198 1.00 0.00 C ATOM 928 O GLU A 66 -2.808 -13.516 3.845 1.00 0.00 O ATOM 929 CB GLU A 66 -4.978 -11.585 4.868 1.00 0.00 C ATOM 930 CG GLU A 66 -6.285 -12.319 4.614 1.00 0.00 C ATOM 931 CD GLU A 66 -7.343 -12.000 5.651 1.00 0.00 C ATOM 932 OE1 GLU A 66 -7.218 -10.958 6.328 1.00 0.00 O ATOM 933 OE2 GLU A 66 -8.299 -12.793 5.788 1.00 0.00 O ATOM 0 H GLU A 66 -5.750 -10.557 2.788 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.181 -10.924 3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.435 -12.093 5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.199 -10.579 5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.660 -12.055 3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.099 -13.393 4.608 1.00 0.00 H new ATOM 940 N LYS A 67 -4.227 -13.381 2.104 1.00 0.00 N ATOM 941 CA LYS A 67 -3.895 -14.710 1.600 1.00 0.00 C ATOM 942 C LYS A 67 -2.923 -14.637 0.425 1.00 0.00 C ATOM 943 O LYS A 67 -1.848 -15.235 0.460 1.00 0.00 O ATOM 944 CB LYS A 67 -5.166 -15.447 1.176 1.00 0.00 C ATOM 945 CG LYS A 67 -6.276 -15.396 2.213 1.00 0.00 C ATOM 946 CD LYS A 67 -6.341 -16.682 3.021 1.00 0.00 C ATOM 947 CE LYS A 67 -6.818 -17.849 2.172 1.00 0.00 C ATOM 948 NZ LYS A 67 -7.441 -18.922 2.998 1.00 0.00 N ATOM 0 H LYS A 67 -4.925 -12.881 1.553 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.409 -15.258 2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.531 -15.016 0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.920 -16.489 0.971 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.112 -14.552 2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.232 -15.228 1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.356 -16.907 3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.014 -16.547 3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.540 -17.492 1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.976 -18.262 1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.752 -19.699 2.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.745 -19.281 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.261 -18.536 3.508 1.00 0.00 H new ATOM 962 N ARG A 68 -3.311 -13.911 -0.620 1.00 0.00 N ATOM 963 CA ARG A 68 -2.473 -13.776 -1.808 1.00 0.00 C ATOM 964 C ARG A 68 -1.460 -12.644 -1.655 1.00 0.00 C ATOM 965 O ARG A 68 -0.252 -12.874 -1.701 1.00 0.00 O ATOM 966 CB ARG A 68 -3.342 -13.535 -3.045 1.00 0.00 C ATOM 967 CG ARG A 68 -4.533 -14.475 -3.145 1.00 0.00 C ATOM 968 CD ARG A 68 -5.213 -14.367 -4.500 1.00 0.00 C ATOM 969 NE ARG A 68 -6.373 -15.248 -4.605 1.00 0.00 N ATOM 970 CZ ARG A 68 -6.296 -16.548 -4.884 1.00 0.00 C ATOM 971 NH1 ARG A 68 -5.117 -17.123 -5.085 1.00 0.00 N ATOM 972 NH2 ARG A 68 -7.402 -17.276 -4.963 1.00 0.00 N ATOM 0 H ARG A 68 -4.197 -13.409 -0.669 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.921 -14.708 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.702 -12.506 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.727 -13.645 -3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.203 -15.501 -2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.249 -14.242 -2.357 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.525 -13.336 -4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.498 -14.615 -5.285 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.297 -14.844 -4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.263 -16.569 -5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.065 -18.119 -5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.311 -16.840 -4.810 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.343 -18.272 -5.177 1.00 0.00 H new ATOM 986 N CYS A 69 -1.955 -11.421 -1.482 1.00 0.00 N ATOM 987 CA CYS A 69 -1.082 -10.259 -1.331 1.00 0.00 C ATOM 988 C CYS A 69 -0.106 -10.456 -0.176 1.00 0.00 C ATOM 989 O CYS A 69 -0.498 -10.846 0.924 1.00 0.00 O ATOM 990 CB CYS A 69 -1.912 -8.995 -1.110 1.00 0.00 C ATOM 991 SG CYS A 69 -2.996 -8.575 -2.495 1.00 0.00 S ATOM 0 H CYS A 69 -2.952 -11.209 -1.443 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.506 -10.147 -2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.518 -9.123 -0.213 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.239 -8.159 -0.923 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.289 -8.071 -3.462 1.00 0.00 H new ATOM 997 N ARG A 70 1.171 -10.191 -0.436 1.00 0.00 N ATOM 998 CA ARG A 70 2.208 -10.350 0.579 1.00 0.00 C ATOM 999 C ARG A 70 2.512 -9.029 1.282 1.00 0.00 C ATOM 1000 O ARG A 70 2.636 -8.985 2.506 1.00 0.00 O ATOM 1001 CB ARG A 70 3.484 -10.911 -0.052 1.00 0.00 C ATOM 1002 CG ARG A 70 3.852 -12.298 0.450 1.00 0.00 C ATOM 1003 CD ARG A 70 5.332 -12.394 0.787 1.00 0.00 C ATOM 1004 NE ARG A 70 5.865 -13.730 0.532 1.00 0.00 N ATOM 1005 CZ ARG A 70 7.143 -14.062 0.694 1.00 0.00 C ATOM 1006 NH1 ARG A 70 8.023 -13.159 1.113 1.00 0.00 N ATOM 1007 NH2 ARG A 70 7.544 -15.299 0.439 1.00 0.00 N ATOM 0 H ARG A 70 1.513 -9.865 -1.340 1.00 0.00 H new ATOM 0 HA ARG A 70 1.836 -11.051 1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.359 -10.947 -1.134 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.310 -10.229 0.151 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.260 -12.535 1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.602 -13.039 -0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.886 -11.664 0.197 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.483 -12.137 1.836 1.00 0.00 H new ATOM 0 HE ARG A 70 5.219 -14.451 0.211 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.720 -12.206 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.002 -13.419 1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.873 -15.997 0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.524 -15.553 0.563 1.00 0.00 H new ATOM 1021 N ARG A 71 2.643 -7.954 0.507 1.00 0.00 N ATOM 1022 CA ARG A 71 2.945 -6.643 1.078 1.00 0.00 C ATOM 1023 C ARG A 71 1.733 -5.719 1.026 1.00 0.00 C ATOM 1024 O ARG A 71 0.849 -5.868 0.180 1.00 0.00 O ATOM 1025 CB ARG A 71 4.137 -5.988 0.365 1.00 0.00 C ATOM 1026 CG ARG A 71 4.344 -6.452 -1.069 1.00 0.00 C ATOM 1027 CD ARG A 71 5.164 -7.732 -1.137 1.00 0.00 C ATOM 1028 NE ARG A 71 6.497 -7.568 -0.557 1.00 0.00 N ATOM 1029 CZ ARG A 71 6.804 -7.872 0.704 1.00 0.00 C ATOM 1030 NH1 ARG A 71 5.876 -8.331 1.534 1.00 0.00 N ATOM 1031 NH2 ARG A 71 8.046 -7.708 1.138 1.00 0.00 N ATOM 0 H ARG A 71 2.546 -7.964 -0.508 1.00 0.00 H new ATOM 0 HA ARG A 71 3.210 -6.802 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.997 -4.907 0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.043 -6.193 0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.375 -6.616 -1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.847 -5.668 -1.636 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.636 -8.527 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.258 -8.046 -2.177 1.00 0.00 H new ATOM 0 HE ARG A 71 7.237 -7.198 -1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.917 -8.454 1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.122 -8.561 2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.763 -7.350 0.508 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.284 -7.940 2.102 1.00 0.00 H new ATOM 1045 N MET A 72 1.696 -4.766 1.952 1.00 0.00 N ATOM 1046 CA MET A 72 0.600 -3.817 2.038 1.00 0.00 C ATOM 1047 C MET A 72 1.091 -2.390 1.810 1.00 0.00 C ATOM 1048 O MET A 72 2.176 -2.013 2.254 1.00 0.00 O ATOM 1049 CB MET A 72 -0.061 -3.925 3.411 1.00 0.00 C ATOM 1050 CG MET A 72 -1.190 -4.941 3.468 1.00 0.00 C ATOM 1051 SD MET A 72 -2.817 -4.171 3.528 1.00 0.00 S ATOM 1052 CE MET A 72 -3.060 -3.780 1.798 1.00 0.00 C ATOM 0 H MET A 72 2.421 -4.633 2.657 1.00 0.00 H new ATOM 0 HA MET A 72 -0.126 -4.055 1.260 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.695 -4.194 4.148 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.450 -2.947 3.695 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.132 -5.591 2.595 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.060 -5.574 4.346 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.081 -2.698 1.669 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.242 -4.199 1.212 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.005 -4.204 1.458 1.00 0.00 H new ATOM 1062 N VAL A 73 0.282 -1.598 1.122 1.00 0.00 N ATOM 1063 CA VAL A 73 0.629 -0.211 0.846 1.00 0.00 C ATOM 1064 C VAL A 73 -0.450 0.716 1.380 1.00 0.00 C ATOM 1065 O VAL A 73 -1.459 0.955 0.721 1.00 0.00 O ATOM 1066 CB VAL A 73 0.809 0.028 -0.664 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.299 1.445 -0.927 1.00 0.00 C ATOM 1068 CG2 VAL A 73 1.766 -0.994 -1.255 1.00 0.00 C ATOM 0 H VAL A 73 -0.619 -1.891 0.745 1.00 0.00 H new ATOM 0 HA VAL A 73 1.574 0.002 1.346 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.159 -0.092 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.420 1.595 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.572 2.159 -0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.257 1.597 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.881 -0.810 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.736 -0.910 -0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.368 -1.997 -1.101 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.236 1.226 2.587 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.203 2.114 3.215 1.00 0.00 C ATOM 1080 C VAL A 74 -0.936 3.569 2.858 1.00 0.00 C ATOM 1081 O VAL A 74 0.211 4.009 2.815 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.191 1.962 4.747 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -2.333 2.748 5.372 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -1.266 0.493 5.143 1.00 0.00 C ATOM 0 H VAL A 74 0.596 1.040 3.148 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.184 1.828 2.834 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.252 2.367 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.307 2.628 6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.228 3.804 5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.283 2.377 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.256 0.408 6.230 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.186 0.058 4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.409 -0.039 4.730 1.00 0.00 H new ATOM 1094 N VAL A 75 -2.006 4.311 2.612 1.00 0.00 N ATOM 1095 CA VAL A 75 -1.893 5.722 2.272 1.00 0.00 C ATOM 1096 C VAL A 75 -2.596 6.576 3.324 1.00 0.00 C ATOM 1097 O VAL A 75 -3.813 6.757 3.279 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.485 6.012 0.878 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -2.385 7.495 0.540 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -1.787 5.170 -0.181 1.00 0.00 C ATOM 0 H VAL A 75 -2.963 3.959 2.642 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.833 5.977 2.251 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.541 5.742 0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.809 7.672 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.935 8.075 1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.338 7.800 0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.216 5.386 -1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.723 5.407 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.921 4.113 0.048 1.00 0.00 H new ATOM 1110 N VAL A 76 -1.821 7.083 4.278 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.366 7.901 5.356 1.00 0.00 C ATOM 1112 C VAL A 76 -2.526 9.358 4.938 1.00 0.00 C ATOM 1113 O VAL A 76 -1.560 10.122 4.921 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.481 7.830 6.617 1.00 0.00 C ATOM 1115 CG1 VAL A 76 -0.075 8.330 6.318 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -2.105 8.618 7.761 1.00 0.00 C ATOM 0 H VAL A 76 -0.812 6.941 4.326 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.351 7.493 5.585 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.411 6.787 6.925 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.532 8.271 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.373 7.713 5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.121 9.365 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.463 8.554 8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.214 9.662 7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.085 8.203 7.996 1.00 0.00 H new ATOM 1126 N SER A 77 -3.755 9.740 4.611 1.00 0.00 N ATOM 1127 CA SER A 77 -4.047 11.109 4.205 1.00 0.00 C ATOM 1128 C SER A 77 -5.231 11.667 4.991 1.00 0.00 C ATOM 1129 O SER A 77 -6.122 10.922 5.399 1.00 0.00 O ATOM 1130 CB SER A 77 -4.338 11.169 2.705 1.00 0.00 C ATOM 1131 OG SER A 77 -3.703 10.104 2.019 1.00 0.00 O ATOM 0 H SER A 77 -4.565 9.121 4.619 1.00 0.00 H new ATOM 0 HA SER A 77 -3.171 11.721 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.414 11.123 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.994 12.122 2.302 1.00 0.00 H new ATOM 0 HG SER A 77 -4.282 9.792 1.292 1.00 0.00 H new ATOM 1137 N ASP A 78 -5.232 12.982 5.195 1.00 0.00 N ATOM 1138 CA ASP A 78 -6.304 13.655 5.929 1.00 0.00 C ATOM 1139 C ASP A 78 -7.681 13.129 5.529 1.00 0.00 C ATOM 1140 O ASP A 78 -8.476 12.721 6.376 1.00 0.00 O ATOM 1141 CB ASP A 78 -6.241 15.162 5.669 1.00 0.00 C ATOM 1142 CG ASP A 78 -5.938 15.954 6.919 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -5.055 15.528 7.691 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -6.583 17.004 7.130 1.00 0.00 O ATOM 0 H ASP A 78 -4.498 13.607 4.861 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.159 13.450 6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.476 15.366 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.192 15.496 5.253 1.00 0.00 H new ATOM 1149 N ASP A 79 -7.952 13.159 4.233 1.00 0.00 N ATOM 1150 CA ASP A 79 -9.233 12.707 3.695 1.00 0.00 C ATOM 1151 C ASP A 79 -9.493 11.230 3.988 1.00 0.00 C ATOM 1152 O ASP A 79 -10.624 10.761 3.863 1.00 0.00 O ATOM 1153 CB ASP A 79 -9.282 12.949 2.186 1.00 0.00 C ATOM 1154 CG ASP A 79 -9.742 14.351 1.839 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -10.967 14.596 1.854 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -8.877 15.207 1.554 1.00 0.00 O ATOM 0 H ASP A 79 -7.298 13.494 3.526 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.014 13.285 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.293 12.779 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.955 12.225 1.727 1.00 0.00 H new ATOM 1161 N TYR A 80 -8.453 10.495 4.368 1.00 0.00 N ATOM 1162 CA TYR A 80 -8.596 9.074 4.662 1.00 0.00 C ATOM 1163 C TYR A 80 -8.871 8.845 6.142 1.00 0.00 C ATOM 1164 O TYR A 80 -9.547 7.889 6.517 1.00 0.00 O ATOM 1165 CB TYR A 80 -7.338 8.317 4.234 1.00 0.00 C ATOM 1166 CG TYR A 80 -7.367 6.837 4.556 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -8.551 6.113 4.489 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -6.207 6.166 4.923 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -8.579 4.763 4.781 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -6.228 4.816 5.215 1.00 0.00 C ATOM 1171 CZ TYR A 80 -7.415 4.119 5.143 1.00 0.00 C ATOM 1172 OH TYR A 80 -7.439 2.774 5.432 1.00 0.00 O ATOM 0 H TYR A 80 -7.506 10.858 4.479 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.448 8.695 4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.200 8.442 3.160 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.473 8.767 4.721 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.464 6.614 4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.275 6.708 4.981 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.508 4.215 4.726 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.318 4.309 5.499 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.598 2.265 4.609 1.00 0.00 H new ATOM 1182 N LEU A 81 -8.339 9.728 6.977 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.518 9.622 8.412 1.00 0.00 C ATOM 1184 C LEU A 81 -9.885 10.145 8.831 1.00 0.00 C ATOM 1185 O LEU A 81 -10.473 9.665 9.800 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.416 10.398 9.121 1.00 0.00 C ATOM 1187 CG LEU A 81 -6.012 9.851 8.908 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -4.965 10.939 9.086 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -5.758 8.716 9.868 1.00 0.00 C ATOM 0 H LEU A 81 -7.779 10.527 6.680 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.460 8.571 8.694 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.443 11.433 8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.628 10.408 10.190 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.937 9.482 7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.972 10.518 8.928 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.141 11.735 8.363 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.030 11.345 10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.752 8.327 9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.853 9.077 10.892 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.485 7.923 9.694 1.00 0.00 H new ATOM 1201 N GLN A 82 -10.386 11.127 8.093 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.684 11.709 8.385 1.00 0.00 C ATOM 1203 C GLN A 82 -12.813 10.726 8.077 1.00 0.00 C ATOM 1204 O GLN A 82 -13.967 10.962 8.434 1.00 0.00 O ATOM 1205 CB GLN A 82 -11.878 12.994 7.581 1.00 0.00 C ATOM 1206 CG GLN A 82 -11.472 12.872 6.122 1.00 0.00 C ATOM 1207 CD GLN A 82 -12.587 13.255 5.169 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -12.570 14.333 4.576 1.00 0.00 O ATOM 1209 NE2 GLN A 82 -13.566 12.369 5.019 1.00 0.00 N ATOM 0 H GLN A 82 -9.911 11.535 7.288 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.716 11.942 9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -12.926 13.289 7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.298 13.792 8.044 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.606 13.508 5.936 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.163 11.846 5.920 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.539 11.487 5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -14.345 12.571 4.392 1.00 0.00 H new ATOM 1218 N SER A 83 -12.475 9.622 7.411 1.00 0.00 N ATOM 1219 CA SER A 83 -13.465 8.611 7.059 1.00 0.00 C ATOM 1220 C SER A 83 -13.304 7.364 7.922 1.00 0.00 C ATOM 1221 O SER A 83 -12.231 7.108 8.468 1.00 0.00 O ATOM 1222 CB SER A 83 -13.343 8.241 5.578 1.00 0.00 C ATOM 1223 OG SER A 83 -14.449 7.466 5.153 1.00 0.00 O ATOM 0 H SER A 83 -11.525 9.408 7.106 1.00 0.00 H new ATOM 0 HA SER A 83 -14.454 9.030 7.242 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.279 9.148 4.977 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.420 7.684 5.414 1.00 0.00 H new ATOM 0 HG SER A 83 -14.432 7.379 4.177 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.380 6.591 8.041 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.364 5.373 8.834 1.00 0.00 C ATOM 1231 C LYS A 84 -13.592 4.264 8.125 1.00 0.00 C ATOM 1232 O LYS A 84 -13.106 3.330 8.763 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.796 4.920 9.110 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.577 5.884 9.988 1.00 0.00 C ATOM 1235 CD LYS A 84 -17.432 6.829 9.157 1.00 0.00 C ATOM 1236 CE LYS A 84 -17.298 8.267 9.633 1.00 0.00 C ATOM 1237 NZ LYS A 84 -18.473 9.094 9.242 1.00 0.00 N ATOM 0 H LYS A 84 -15.275 6.791 7.595 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.860 5.584 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.320 4.799 8.162 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.773 3.941 9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -17.214 5.321 10.671 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.885 6.462 10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.137 6.762 8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.476 6.522 9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.189 8.282 10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.391 8.704 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.342 10.067 9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.563 9.102 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.336 8.692 9.661 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.479 4.372 6.803 1.00 0.00 N ATOM 1252 CA GLU A 85 -12.763 3.378 6.012 1.00 0.00 C ATOM 1253 C GLU A 85 -11.376 3.127 6.594 1.00 0.00 C ATOM 1254 O GLU A 85 -10.862 2.010 6.547 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.648 3.837 4.557 1.00 0.00 C ATOM 1256 CG GLU A 85 -13.967 4.301 3.961 1.00 0.00 C ATOM 1257 CD GLU A 85 -14.445 3.408 2.832 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -13.651 3.147 1.903 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -15.614 2.967 2.878 1.00 0.00 O ATOM 0 H GLU A 85 -13.875 5.138 6.258 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.326 2.445 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.925 4.651 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.255 3.017 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.725 4.328 4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.855 5.320 3.590 1.00 0.00 H new ATOM 1266 N CYS A 86 -10.783 4.176 7.155 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.465 4.069 7.762 1.00 0.00 C ATOM 1268 C CYS A 86 -9.569 3.362 9.104 1.00 0.00 C ATOM 1269 O CYS A 86 -8.656 2.648 9.515 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.844 5.456 7.942 1.00 0.00 C ATOM 1271 SG CYS A 86 -7.235 5.448 8.769 1.00 0.00 S ATOM 0 H CYS A 86 -11.195 5.108 7.201 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.822 3.486 7.102 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.734 5.922 6.963 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.531 6.078 8.516 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.092 4.337 9.429 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.698 3.558 9.780 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.930 2.929 11.071 1.00 0.00 C ATOM 1279 C ASP A 87 -10.885 1.414 10.934 1.00 0.00 C ATOM 1280 O ASP A 87 -10.383 0.713 11.812 1.00 0.00 O ATOM 1281 CB ASP A 87 -12.281 3.365 11.643 1.00 0.00 C ATOM 1282 CG ASP A 87 -12.256 3.494 13.153 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -12.405 2.462 13.840 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -12.086 4.628 13.650 1.00 0.00 O ATOM 0 H ASP A 87 -11.464 4.147 9.453 1.00 0.00 H new ATOM 0 HA ASP A 87 -10.143 3.245 11.756 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.566 4.321 11.204 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.044 2.642 11.356 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.397 0.919 9.813 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.399 -0.510 9.539 1.00 0.00 C ATOM 1291 C PHE A 88 -9.986 -0.971 9.213 1.00 0.00 C ATOM 1292 O PHE A 88 -9.506 -1.976 9.742 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.341 -0.828 8.376 1.00 0.00 C ATOM 1294 CG PHE A 88 -12.607 -2.296 8.202 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -13.417 -2.978 9.095 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -12.047 -2.993 7.143 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -13.665 -4.328 8.936 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -12.290 -4.344 6.979 1.00 0.00 C ATOM 1299 CZ PHE A 88 -13.100 -5.013 7.877 1.00 0.00 C ATOM 0 H PHE A 88 -11.817 1.489 9.079 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.753 -1.040 10.423 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.288 -0.312 8.535 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.913 -0.433 7.454 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -13.860 -2.448 9.925 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.414 -2.475 6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.300 -4.847 9.639 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.847 -4.876 6.150 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.291 -6.069 7.751 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.315 -0.209 8.355 1.00 0.00 N ATOM 1310 CA GLN A 89 -7.946 -0.518 7.973 1.00 0.00 C ATOM 1311 C GLN A 89 -7.063 -0.531 9.211 1.00 0.00 C ATOM 1312 O GLN A 89 -6.163 -1.356 9.339 1.00 0.00 O ATOM 1313 CB GLN A 89 -7.426 0.510 6.966 1.00 0.00 C ATOM 1314 CG GLN A 89 -6.331 -0.026 6.059 1.00 0.00 C ATOM 1315 CD GLN A 89 -4.987 -0.113 6.756 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -4.352 -1.168 6.771 1.00 0.00 O ATOM 1317 NE2 GLN A 89 -4.547 0.997 7.336 1.00 0.00 N ATOM 0 H GLN A 89 -9.699 0.626 7.913 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.923 -1.501 7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.257 0.857 6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.046 1.376 7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.614 -1.015 5.699 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.241 0.618 5.184 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.107 1.849 7.298 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.649 0.998 7.819 1.00 0.00 H new ATOM 1326 N THR A 90 -7.349 0.386 10.131 1.00 0.00 N ATOM 1327 CA THR A 90 -6.611 0.487 11.379 1.00 0.00 C ATOM 1328 C THR A 90 -6.653 -0.818 12.134 1.00 0.00 C ATOM 1329 O THR A 90 -5.627 -1.462 12.310 1.00 0.00 O ATOM 1330 CB THR A 90 -7.186 1.613 12.244 1.00 0.00 C ATOM 1331 OG1 THR A 90 -7.247 2.830 11.519 1.00 0.00 O ATOM 1332 CG2 THR A 90 -6.390 1.871 13.503 1.00 0.00 C ATOM 0 H THR A 90 -8.095 1.074 10.030 1.00 0.00 H new ATOM 0 HA THR A 90 -5.571 0.715 11.143 1.00 0.00 H new ATOM 0 HB THR A 90 -8.182 1.272 12.526 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.097 2.880 11.034 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.854 2.680 14.067 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.371 0.968 14.113 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.371 2.151 13.238 1.00 0.00 H new ATOM 1340 N LYS A 91 -7.834 -1.209 12.575 1.00 0.00 N ATOM 1341 CA LYS A 91 -7.984 -2.448 13.322 1.00 0.00 C ATOM 1342 C LYS A 91 -7.318 -3.612 12.602 1.00 0.00 C ATOM 1343 O LYS A 91 -6.883 -4.576 13.232 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.462 -2.752 13.568 1.00 0.00 C ATOM 1345 CG LYS A 91 -9.991 -2.184 14.875 1.00 0.00 C ATOM 1346 CD LYS A 91 -10.070 -0.666 14.828 1.00 0.00 C ATOM 1347 CE LYS A 91 -10.091 -0.066 16.225 1.00 0.00 C ATOM 1348 NZ LYS A 91 -9.261 1.167 16.311 1.00 0.00 N ATOM 0 H LYS A 91 -8.701 -0.691 12.431 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.488 -2.318 14.284 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.049 -2.350 12.743 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.607 -3.832 13.566 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.980 -2.595 15.079 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.343 -2.491 15.696 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.217 -0.273 14.275 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.967 -0.364 14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.118 0.167 16.505 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.725 -0.801 16.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.301 1.546 17.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.275 0.940 16.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.626 1.878 15.646 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.228 -3.515 11.282 1.00 0.00 N ATOM 1363 CA PHE A 92 -6.598 -4.564 10.495 1.00 0.00 C ATOM 1364 C PHE A 92 -5.107 -4.287 10.315 1.00 0.00 C ATOM 1365 O PHE A 92 -4.323 -5.200 10.054 1.00 0.00 O ATOM 1366 CB PHE A 92 -7.279 -4.693 9.131 1.00 0.00 C ATOM 1367 CG PHE A 92 -6.701 -5.782 8.272 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -6.858 -7.114 8.619 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -6.000 -5.471 7.117 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -6.328 -8.116 7.831 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -5.468 -6.470 6.325 1.00 0.00 C ATOM 1372 CZ PHE A 92 -5.631 -7.795 6.682 1.00 0.00 C ATOM 0 H PHE A 92 -7.580 -2.727 10.738 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.711 -5.505 11.034 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.341 -4.885 9.281 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.198 -3.743 8.602 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.401 -7.371 9.516 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.869 -4.437 6.834 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.458 -9.150 8.113 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.925 -6.216 5.427 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.215 -8.577 6.065 1.00 0.00 H new ATOM 1382 N ALA A 93 -4.722 -3.023 10.459 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.326 -2.626 10.319 1.00 0.00 C ATOM 1384 C ALA A 93 -2.612 -2.670 11.664 1.00 0.00 C ATOM 1385 O ALA A 93 -1.409 -2.917 11.737 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.233 -1.237 9.713 1.00 0.00 C ATOM 0 H ALA A 93 -5.358 -2.255 10.673 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.834 -3.333 9.651 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.185 -0.953 9.614 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.704 -1.237 8.730 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.743 -0.523 10.360 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.366 -2.434 12.729 1.00 0.00 N ATOM 1393 CA LEU A 94 -2.822 -2.453 14.074 1.00 0.00 C ATOM 1394 C LEU A 94 -2.827 -3.868 14.611 1.00 0.00 C ATOM 1395 O LEU A 94 -1.836 -4.358 15.154 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.660 -1.555 14.977 1.00 0.00 C ATOM 1397 CG LEU A 94 -5.174 -1.802 14.957 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -5.569 -2.861 15.959 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -5.925 -0.509 15.232 1.00 0.00 C ATOM 0 H LEU A 94 -4.363 -2.226 12.683 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.796 -2.085 14.052 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.307 -1.673 16.001 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.478 -0.518 14.694 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.442 -2.162 13.964 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.648 -3.014 15.921 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.062 -3.796 15.720 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.283 -2.539 16.960 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.998 -0.701 15.214 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.641 -0.125 16.212 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.675 0.227 14.467 1.00 0.00 H new ATOM 1411 N SER A 95 -3.964 -4.505 14.442 1.00 0.00 N ATOM 1412 CA SER A 95 -4.162 -5.877 14.890 1.00 0.00 C ATOM 1413 C SER A 95 -4.218 -6.826 13.697 1.00 0.00 C ATOM 1414 O SER A 95 -5.178 -7.579 13.531 1.00 0.00 O ATOM 1415 CB SER A 95 -5.449 -5.986 15.711 1.00 0.00 C ATOM 1416 OG SER A 95 -5.627 -7.300 16.210 1.00 0.00 O ATOM 0 H SER A 95 -4.781 -4.092 13.991 1.00 0.00 H new ATOM 0 HA SER A 95 -3.318 -6.160 15.519 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.415 -5.280 16.541 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.303 -5.710 15.092 1.00 0.00 H new ATOM 0 HG SER A 95 -5.688 -7.929 15.461 1.00 0.00 H new ATOM 1422 N LEU A 96 -3.180 -6.782 12.869 1.00 0.00 N ATOM 1423 CA LEU A 96 -3.110 -7.638 11.688 1.00 0.00 C ATOM 1424 C LEU A 96 -2.606 -9.032 12.054 1.00 0.00 C ATOM 1425 O LEU A 96 -3.391 -9.970 12.200 1.00 0.00 O ATOM 1426 CB LEU A 96 -2.209 -7.029 10.598 1.00 0.00 C ATOM 1427 CG LEU A 96 -1.502 -5.721 10.959 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.282 -5.990 11.828 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -1.100 -4.981 9.696 1.00 0.00 C ATOM 0 H LEU A 96 -2.377 -6.165 12.992 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.122 -7.718 11.291 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.451 -7.765 10.329 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.816 -6.857 9.709 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.193 -5.099 11.527 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.206 -5.046 12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.592 -6.487 12.747 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.416 -6.629 11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.598 -4.051 9.963 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.424 -5.603 9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.989 -4.756 9.107 1.00 0.00 H new ATOM 1441 N SER A 97 -1.292 -9.157 12.199 1.00 0.00 N ATOM 1442 CA SER A 97 -0.673 -10.431 12.546 1.00 0.00 C ATOM 1443 C SER A 97 0.461 -10.230 13.549 1.00 0.00 C ATOM 1444 O SER A 97 0.817 -9.097 13.876 1.00 0.00 O ATOM 1445 CB SER A 97 -0.143 -11.120 11.285 1.00 0.00 C ATOM 1446 OG SER A 97 -0.711 -12.410 11.131 1.00 0.00 O ATOM 0 H SER A 97 -0.632 -8.388 12.081 1.00 0.00 H new ATOM 0 HA SER A 97 -1.431 -11.064 13.007 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.373 -10.511 10.410 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.943 -11.201 11.340 1.00 0.00 H new ATOM 0 HG SER A 97 -0.358 -12.828 10.318 1.00 0.00 H new ATOM 1452 N PRO A 98 1.044 -11.330 14.056 1.00 0.00 N ATOM 1453 CA PRO A 98 2.136 -11.272 15.029 1.00 0.00 C ATOM 1454 C PRO A 98 3.492 -11.020 14.374 1.00 0.00 C ATOM 1455 O PRO A 98 4.307 -11.932 14.245 1.00 0.00 O ATOM 1456 CB PRO A 98 2.098 -12.662 15.658 1.00 0.00 C ATOM 1457 CG PRO A 98 1.625 -13.549 14.557 1.00 0.00 C ATOM 1458 CD PRO A 98 0.676 -12.722 13.726 1.00 0.00 C ATOM 0 HA PRO A 98 2.014 -10.454 15.739 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.082 -12.963 16.017 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.423 -12.694 16.513 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.462 -13.902 13.955 1.00 0.00 H new ATOM 0 HG3 PRO A 98 1.125 -14.431 14.956 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.794 -12.926 12.662 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.364 -12.932 13.978 1.00 0.00 H new ATOM 1466 N GLY A 99 3.728 -9.777 13.968 1.00 0.00 N ATOM 1467 CA GLY A 99 4.990 -9.432 13.338 1.00 0.00 C ATOM 1468 C GLY A 99 4.807 -8.808 11.968 1.00 0.00 C ATOM 1469 O GLY A 99 5.563 -9.099 11.041 1.00 0.00 O ATOM 0 H GLY A 99 3.070 -9.004 14.063 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.534 -8.739 13.979 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.603 -10.329 13.246 1.00 0.00 H new ATOM 1473 N ALA A 100 3.802 -7.949 11.841 1.00 0.00 N ATOM 1474 CA ALA A 100 3.523 -7.283 10.575 1.00 0.00 C ATOM 1475 C ALA A 100 2.884 -5.915 10.800 1.00 0.00 C ATOM 1476 O ALA A 100 1.870 -5.585 10.187 1.00 0.00 O ATOM 1477 CB ALA A 100 2.620 -8.154 9.710 1.00 0.00 C ATOM 0 H ALA A 100 3.167 -7.698 12.599 1.00 0.00 H new ATOM 0 HA ALA A 100 4.470 -7.130 10.057 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.419 -7.646 8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.114 -9.105 9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.681 -8.335 10.232 1.00 0.00 H new ATOM 1483 N HIS A 101 3.483 -5.119 11.680 1.00 0.00 N ATOM 1484 CA HIS A 101 2.966 -3.785 11.972 1.00 0.00 C ATOM 1485 C HIS A 101 3.545 -2.765 10.999 1.00 0.00 C ATOM 1486 O HIS A 101 2.853 -1.850 10.553 1.00 0.00 O ATOM 1487 CB HIS A 101 3.300 -3.384 13.410 1.00 0.00 C ATOM 1488 CG HIS A 101 2.458 -2.257 13.925 1.00 0.00 C ATOM 1489 ND1 HIS A 101 2.781 -1.528 15.049 1.00 0.00 N ATOM 1490 CD2 HIS A 101 1.298 -1.734 13.459 1.00 0.00 C ATOM 1491 CE1 HIS A 101 1.855 -0.606 15.254 1.00 0.00 C ATOM 1492 NE2 HIS A 101 0.946 -0.710 14.303 1.00 0.00 N ATOM 0 H HIS A 101 4.322 -5.372 12.201 1.00 0.00 H new ATOM 0 HA HIS A 101 1.882 -3.805 11.856 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.172 -4.250 14.060 1.00 0.00 H new ATOM 0 HB3 HIS A 101 4.350 -3.097 13.465 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.752 -2.062 12.587 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.845 0.110 16.062 1.00 0.00 H new ATOM 0 HE2 HIS A 101 0.116 -0.124 14.210 1.00 0.00 H new ATOM 1501 N GLN A 102 4.819 -2.940 10.671 1.00 0.00 N ATOM 1502 CA GLN A 102 5.506 -2.051 9.742 1.00 0.00 C ATOM 1503 C GLN A 102 6.546 -2.825 8.941 1.00 0.00 C ATOM 1504 O GLN A 102 7.567 -2.274 8.530 1.00 0.00 O ATOM 1505 CB GLN A 102 6.177 -0.904 10.504 1.00 0.00 C ATOM 1506 CG GLN A 102 7.138 -1.374 11.583 1.00 0.00 C ATOM 1507 CD GLN A 102 7.706 -0.228 12.396 1.00 0.00 C ATOM 1508 OE1 GLN A 102 7.643 -0.233 13.625 1.00 0.00 O ATOM 1509 NE2 GLN A 102 8.266 0.763 11.711 1.00 0.00 N ATOM 0 H GLN A 102 5.400 -3.694 11.037 1.00 0.00 H new ATOM 0 HA GLN A 102 4.772 -1.634 9.053 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.717 -0.275 9.796 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.407 -0.282 10.960 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.621 -2.066 12.248 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.956 -1.927 11.121 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.296 0.725 10.692 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.666 1.561 12.204 1.00 0.00 H new ATOM 1518 N LYS A 103 6.278 -4.111 8.731 1.00 0.00 N ATOM 1519 CA LYS A 103 7.186 -4.973 7.988 1.00 0.00 C ATOM 1520 C LYS A 103 6.707 -5.167 6.555 1.00 0.00 C ATOM 1521 O LYS A 103 7.494 -5.086 5.611 1.00 0.00 O ATOM 1522 CB LYS A 103 7.299 -6.332 8.683 1.00 0.00 C ATOM 1523 CG LYS A 103 8.377 -6.382 9.752 1.00 0.00 C ATOM 1524 CD LYS A 103 7.986 -5.577 10.980 1.00 0.00 C ATOM 1525 CE LYS A 103 7.119 -6.391 11.927 1.00 0.00 C ATOM 1526 NZ LYS A 103 6.619 -5.571 13.064 1.00 0.00 N ATOM 0 H LYS A 103 5.436 -4.578 9.067 1.00 0.00 H new ATOM 0 HA LYS A 103 8.165 -4.494 7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.339 -6.580 9.136 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.506 -7.097 7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.558 -7.418 10.038 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.311 -5.995 9.345 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.885 -5.247 11.501 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.448 -4.680 10.672 1.00 0.00 H new ATOM 0 HE2 LYS A 103 6.273 -6.806 11.379 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.694 -7.233 12.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.939 -6.127 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.418 -5.294 13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.151 -4.718 12.697 1.00 0.00 H new ATOM 1540 N ARG A 104 5.415 -5.429 6.397 1.00 0.00 N ATOM 1541 CA ARG A 104 4.833 -5.642 5.077 1.00 0.00 C ATOM 1542 C ARG A 104 4.008 -4.436 4.631 1.00 0.00 C ATOM 1543 O ARG A 104 3.911 -4.149 3.439 1.00 0.00 O ATOM 1544 CB ARG A 104 3.968 -6.905 5.068 1.00 0.00 C ATOM 1545 CG ARG A 104 3.154 -7.104 6.337 1.00 0.00 C ATOM 1546 CD ARG A 104 1.788 -7.698 6.034 1.00 0.00 C ATOM 1547 NE ARG A 104 1.373 -8.662 7.051 1.00 0.00 N ATOM 1548 CZ ARG A 104 1.825 -9.913 7.115 1.00 0.00 C ATOM 1549 NH1 ARG A 104 2.710 -10.352 6.229 1.00 0.00 N ATOM 1550 NH2 ARG A 104 1.393 -10.725 8.069 1.00 0.00 N ATOM 0 H ARG A 104 4.750 -5.499 7.167 1.00 0.00 H new ATOM 0 HA ARG A 104 5.654 -5.770 4.371 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.290 -6.863 4.216 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.611 -7.773 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.695 -7.761 7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.032 -6.148 6.846 1.00 0.00 H new ATOM 0 HD2 ARG A 104 1.051 -6.898 5.970 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.813 -8.187 5.060 1.00 0.00 H new ATOM 0 HE ARG A 104 0.698 -8.359 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.047 -9.730 5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.053 -11.311 6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.715 -10.392 8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.739 -11.683 8.118 1.00 0.00 H new ATOM 1564 N LEU A 105 3.421 -3.729 5.593 1.00 0.00 N ATOM 1565 CA LEU A 105 2.614 -2.551 5.286 1.00 0.00 C ATOM 1566 C LEU A 105 3.417 -1.277 5.491 1.00 0.00 C ATOM 1567 O LEU A 105 4.158 -1.148 6.467 1.00 0.00 O ATOM 1568 CB LEU A 105 1.353 -2.502 6.154 1.00 0.00 C ATOM 1569 CG LEU A 105 1.461 -3.200 7.506 1.00 0.00 C ATOM 1570 CD1 LEU A 105 0.521 -2.558 8.516 1.00 0.00 C ATOM 1571 CD2 LEU A 105 1.160 -4.682 7.351 1.00 0.00 C ATOM 0 H LEU A 105 3.488 -3.949 6.587 1.00 0.00 H new ATOM 0 HA LEU A 105 2.318 -2.624 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.090 -1.458 6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.531 -2.952 5.597 1.00 0.00 H new ATOM 0 HG LEU A 105 2.479 -3.090 7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.612 -3.069 9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.782 -1.507 8.639 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.506 -2.637 8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.239 -5.173 8.321 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.150 -4.809 6.961 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.875 -5.128 6.659 1.00 0.00 H new ATOM 1583 N ILE A 106 3.266 -0.331 4.572 1.00 0.00 N ATOM 1584 CA ILE A 106 3.981 0.933 4.667 1.00 0.00 C ATOM 1585 C ILE A 106 3.068 2.118 4.351 1.00 0.00 C ATOM 1586 O ILE A 106 2.459 2.171 3.282 1.00 0.00 O ATOM 1587 CB ILE A 106 5.197 0.973 3.722 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.812 0.458 2.329 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.353 0.170 4.304 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.870 -1.051 2.189 1.00 0.00 C ATOM 0 H ILE A 106 2.658 -0.415 3.757 1.00 0.00 H new ATOM 0 HA ILE A 106 4.329 1.012 5.697 1.00 0.00 H new ATOM 0 HB ILE A 106 5.524 2.008 3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.802 0.795 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.477 0.906 1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.203 0.210 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.640 0.591 5.267 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.044 -0.867 4.439 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.584 -1.334 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.884 -1.396 2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.184 -1.509 2.901 1.00 0.00 H new ATOM 1602 N PRO A 107 2.957 3.087 5.281 1.00 0.00 N ATOM 1603 CA PRO A 107 2.116 4.276 5.094 1.00 0.00 C ATOM 1604 C PRO A 107 2.717 5.256 4.091 1.00 0.00 C ATOM 1605 O PRO A 107 3.937 5.402 4.005 1.00 0.00 O ATOM 1606 CB PRO A 107 2.083 4.902 6.488 1.00 0.00 C ATOM 1607 CG PRO A 107 3.370 4.485 7.108 1.00 0.00 C ATOM 1608 CD PRO A 107 3.637 3.099 6.592 1.00 0.00 C ATOM 0 HA PRO A 107 1.133 4.024 4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 107 2.000 5.988 6.435 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.230 4.545 7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.176 5.167 6.835 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.301 4.492 8.196 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.705 2.906 6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.236 2.337 7.260 1.00 0.00 H new ATOM 1616 N ILE A 108 1.854 5.922 3.331 1.00 0.00 N ATOM 1617 CA ILE A 108 2.299 6.884 2.327 1.00 0.00 C ATOM 1618 C ILE A 108 1.260 7.993 2.132 1.00 0.00 C ATOM 1619 O ILE A 108 0.094 7.835 2.492 1.00 0.00 O ATOM 1620 CB ILE A 108 2.568 6.178 0.977 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.796 5.274 1.091 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.760 7.185 -0.152 1.00 0.00 C ATOM 1623 CD1 ILE A 108 3.458 3.833 1.395 1.00 0.00 C ATOM 0 H ILE A 108 0.842 5.814 3.391 1.00 0.00 H new ATOM 0 HA ILE A 108 3.226 7.332 2.685 1.00 0.00 H new ATOM 0 HB ILE A 108 1.695 5.571 0.738 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.358 5.318 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.449 5.659 1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.947 6.654 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.861 7.793 -0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.610 7.829 0.075 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.377 3.250 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.923 3.777 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.830 3.431 0.600 1.00 0.00 H new ATOM 1635 N LYS A 109 1.692 9.111 1.555 1.00 0.00 N ATOM 1636 CA LYS A 109 0.799 10.236 1.304 1.00 0.00 C ATOM 1637 C LYS A 109 1.514 11.337 0.526 1.00 0.00 C ATOM 1638 O LYS A 109 2.692 11.612 0.756 1.00 0.00 O ATOM 1639 CB LYS A 109 0.238 10.789 2.618 1.00 0.00 C ATOM 1640 CG LYS A 109 1.276 11.473 3.495 1.00 0.00 C ATOM 1641 CD LYS A 109 1.732 10.566 4.626 1.00 0.00 C ATOM 1642 CE LYS A 109 2.885 11.179 5.404 1.00 0.00 C ATOM 1643 NZ LYS A 109 2.580 11.282 6.858 1.00 0.00 N ATOM 0 H LYS A 109 2.655 9.261 1.253 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.033 9.874 0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.556 11.500 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.216 9.972 3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.135 11.760 2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.857 12.390 3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.897 10.377 5.301 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.038 9.602 4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.781 10.574 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.104 12.170 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.397 11.689 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.750 11.894 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.379 10.335 7.239 1.00 0.00 H new ATOM 1657 N TYR A 110 0.795 11.960 -0.404 1.00 0.00 N ATOM 1658 CA TYR A 110 1.360 13.025 -1.223 1.00 0.00 C ATOM 1659 C TYR A 110 1.011 14.396 -0.649 1.00 0.00 C ATOM 1660 O TYR A 110 0.658 15.318 -1.385 1.00 0.00 O ATOM 1661 CB TYR A 110 0.848 12.915 -2.660 1.00 0.00 C ATOM 1662 CG TYR A 110 1.854 13.355 -3.700 1.00 0.00 C ATOM 1663 CD1 TYR A 110 2.026 14.700 -4.002 1.00 0.00 C ATOM 1664 CD2 TYR A 110 2.629 12.425 -4.380 1.00 0.00 C ATOM 1665 CE1 TYR A 110 2.943 15.106 -4.952 1.00 0.00 C ATOM 1666 CE2 TYR A 110 3.549 12.823 -5.331 1.00 0.00 C ATOM 1667 CZ TYR A 110 3.702 14.164 -5.614 1.00 0.00 C ATOM 1668 OH TYR A 110 4.617 14.563 -6.561 1.00 0.00 O ATOM 0 H TYR A 110 -0.181 11.744 -0.608 1.00 0.00 H new ATOM 0 HA TYR A 110 2.445 12.916 -1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.564 11.881 -2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.054 13.518 -2.762 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.433 15.440 -3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.511 11.374 -4.162 1.00 0.00 H new ATOM 0 HE1 TYR A 110 3.065 16.156 -5.175 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.145 12.087 -5.850 1.00 0.00 H new ATOM 0 HH TYR A 110 5.069 13.776 -6.931 1.00 0.00 H new ATOM 1678 N LYS A 111 1.109 14.521 0.671 1.00 0.00 N ATOM 1679 CA LYS A 111 0.801 15.778 1.346 1.00 0.00 C ATOM 1680 C LYS A 111 0.847 15.603 2.860 1.00 0.00 C ATOM 1681 O LYS A 111 1.167 14.525 3.361 1.00 0.00 O ATOM 1682 CB LYS A 111 -0.578 16.292 0.923 1.00 0.00 C ATOM 1683 CG LYS A 111 -1.604 15.190 0.722 1.00 0.00 C ATOM 1684 CD LYS A 111 -3.016 15.690 0.977 1.00 0.00 C ATOM 1685 CE LYS A 111 -3.396 16.802 0.012 1.00 0.00 C ATOM 1686 NZ LYS A 111 -4.273 16.309 -1.087 1.00 0.00 N ATOM 0 H LYS A 111 1.399 13.768 1.295 1.00 0.00 H new ATOM 0 HA LYS A 111 1.555 16.510 1.055 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.946 16.985 1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.477 16.856 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.531 14.805 -0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -1.384 14.360 1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.719 14.863 0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.095 16.053 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.908 17.596 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.492 17.238 -0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.509 17.097 -1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.776 15.569 -1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.147 15.916 -0.684 1.00 0.00 H new ATOM 1700 N ALA A 112 0.521 16.669 3.582 1.00 0.00 N ATOM 1701 CA ALA A 112 0.521 16.632 5.039 1.00 0.00 C ATOM 1702 C ALA A 112 -0.901 16.578 5.586 1.00 0.00 C ATOM 1703 O ALA A 112 -1.807 17.218 5.051 1.00 0.00 O ATOM 1704 CB ALA A 112 1.259 17.840 5.597 1.00 0.00 C ATOM 0 H ALA A 112 0.254 17.569 3.182 1.00 0.00 H new ATOM 0 HA ALA A 112 1.038 15.726 5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.251 17.800 6.686 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.289 17.833 5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.766 18.753 5.264 1.00 0.00 H new ATOM 1710 N MET A 113 -1.088 15.812 6.655 1.00 0.00 N ATOM 1711 CA MET A 113 -2.398 15.673 7.276 1.00 0.00 C ATOM 1712 C MET A 113 -2.656 16.812 8.260 1.00 0.00 C ATOM 1713 O MET A 113 -1.997 16.917 9.293 1.00 0.00 O ATOM 1714 CB MET A 113 -2.498 14.327 7.995 1.00 0.00 C ATOM 1715 CG MET A 113 -2.443 13.134 7.054 1.00 0.00 C ATOM 1716 SD MET A 113 -1.429 11.790 7.695 1.00 0.00 S ATOM 1717 CE MET A 113 -2.045 11.680 9.373 1.00 0.00 C ATOM 0 H MET A 113 -0.347 15.278 7.109 1.00 0.00 H new ATOM 0 HA MET A 113 -3.155 15.717 6.493 1.00 0.00 H new ATOM 0 HB2 MET A 113 -1.686 14.248 8.717 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.430 14.293 8.559 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.455 12.768 6.878 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.047 13.454 6.090 1.00 0.00 H new ATOM 0 HE1 MET A 113 -2.174 10.632 9.645 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.333 12.147 10.053 1.00 0.00 H new ATOM 0 HE3 MET A 113 -3.004 12.194 9.443 1.00 0.00 H new ATOM 1727 N LYS A 114 -3.614 17.669 7.919 1.00 0.00 N ATOM 1728 CA LYS A 114 -3.960 18.813 8.756 1.00 0.00 C ATOM 1729 C LYS A 114 -4.466 18.377 10.130 1.00 0.00 C ATOM 1730 O LYS A 114 -4.501 19.178 11.065 1.00 0.00 O ATOM 1731 CB LYS A 114 -5.020 19.672 8.064 1.00 0.00 C ATOM 1732 CG LYS A 114 -4.438 20.766 7.185 1.00 0.00 C ATOM 1733 CD LYS A 114 -5.314 21.031 5.973 1.00 0.00 C ATOM 1734 CE LYS A 114 -4.954 20.113 4.816 1.00 0.00 C ATOM 1735 NZ LYS A 114 -5.285 20.724 3.499 1.00 0.00 N ATOM 0 H LYS A 114 -4.166 17.592 7.065 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.052 19.399 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.656 19.029 7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.658 20.127 8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.331 21.682 7.765 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.439 20.478 6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.361 20.888 6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.204 22.070 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.889 19.884 4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.487 19.168 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.024 20.067 2.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.305 20.920 3.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.757 21.613 3.386 1.00 0.00 H new ATOM 1749 N LYS A 115 -4.855 17.110 10.259 1.00 0.00 N ATOM 1750 CA LYS A 115 -5.350 16.600 11.535 1.00 0.00 C ATOM 1751 C LYS A 115 -4.348 15.628 12.159 1.00 0.00 C ATOM 1752 O LYS A 115 -3.162 15.662 11.832 1.00 0.00 O ATOM 1753 CB LYS A 115 -6.742 15.971 11.385 1.00 0.00 C ATOM 1754 CG LYS A 115 -6.996 15.325 10.043 1.00 0.00 C ATOM 1755 CD LYS A 115 -6.549 13.881 10.051 1.00 0.00 C ATOM 1756 CE LYS A 115 -7.516 13.015 10.847 1.00 0.00 C ATOM 1757 NZ LYS A 115 -6.803 12.031 11.706 1.00 0.00 N ATOM 0 H LYS A 115 -4.837 16.424 9.504 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.456 17.443 12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.874 15.222 12.166 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.495 16.741 11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.058 15.381 9.802 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.464 15.871 9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.482 13.512 9.028 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.551 13.808 10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.145 13.651 11.470 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.178 12.486 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.427 11.730 12.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.535 11.203 11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.947 12.471 12.101 1.00 0.00 H new ATOM 1771 N GLU A 116 -4.812 14.786 13.078 1.00 0.00 N ATOM 1772 CA GLU A 116 -3.933 13.847 13.758 1.00 0.00 C ATOM 1773 C GLU A 116 -3.662 12.608 12.918 1.00 0.00 C ATOM 1774 O GLU A 116 -4.279 12.393 11.875 1.00 0.00 O ATOM 1775 CB GLU A 116 -4.538 13.443 15.102 1.00 0.00 C ATOM 1776 CG GLU A 116 -5.992 13.005 15.022 1.00 0.00 C ATOM 1777 CD GLU A 116 -6.504 12.442 16.334 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -6.876 13.243 17.218 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -6.532 11.202 16.478 1.00 0.00 O ATOM 0 H GLU A 116 -5.789 14.737 13.367 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.980 14.350 13.921 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -3.948 12.630 15.524 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.461 14.284 15.791 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.608 13.855 14.731 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.098 12.252 14.241 1.00 0.00 H new ATOM 1786 N PHE A 117 -2.728 11.795 13.393 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.352 10.562 12.717 1.00 0.00 C ATOM 1788 C PHE A 117 -2.834 9.356 13.508 1.00 0.00 C ATOM 1789 O PHE A 117 -2.936 9.404 14.735 1.00 0.00 O ATOM 1790 CB PHE A 117 -0.833 10.485 12.529 1.00 0.00 C ATOM 1791 CG PHE A 117 -0.049 11.275 13.542 1.00 0.00 C ATOM 1792 CD1 PHE A 117 0.289 10.715 14.764 1.00 0.00 C ATOM 1793 CD2 PHE A 117 0.343 12.576 13.272 1.00 0.00 C ATOM 1794 CE1 PHE A 117 1.006 11.439 15.698 1.00 0.00 C ATOM 1795 CE2 PHE A 117 1.060 13.305 14.203 1.00 0.00 C ATOM 1796 CZ PHE A 117 1.392 12.734 15.417 1.00 0.00 C ATOM 0 H PHE A 117 -2.212 11.971 14.255 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.826 10.558 11.735 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.524 9.441 12.579 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.582 10.844 11.531 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.011 9.702 14.989 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.086 13.026 12.324 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.264 10.992 16.647 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.360 14.319 13.982 1.00 0.00 H new ATOM 0 HZ PHE A 117 1.953 13.301 16.145 1.00 0.00 H new ATOM 1806 N PRO A 118 -3.134 8.253 12.815 1.00 0.00 N ATOM 1807 CA PRO A 118 -3.603 7.028 13.446 1.00 0.00 C ATOM 1808 C PRO A 118 -2.464 6.192 13.995 1.00 0.00 C ATOM 1809 O PRO A 118 -1.371 6.190 13.433 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.304 6.303 12.305 1.00 0.00 C ATOM 1811 CG PRO A 118 -3.587 6.742 11.074 1.00 0.00 C ATOM 1812 CD PRO A 118 -3.032 8.116 11.352 1.00 0.00 C ATOM 0 HA PRO A 118 -4.245 7.223 14.305 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.248 5.222 12.430 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.361 6.565 12.261 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.786 6.046 10.826 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.265 6.766 10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.000 8.205 11.014 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.604 8.889 10.838 1.00 0.00 H new ATOM 1820 N SER A 119 -2.730 5.462 15.079 1.00 0.00 N ATOM 1821 CA SER A 119 -1.719 4.589 15.671 1.00 0.00 C ATOM 1822 C SER A 119 -1.387 3.524 14.645 1.00 0.00 C ATOM 1823 O SER A 119 -1.792 2.368 14.763 1.00 0.00 O ATOM 1824 CB SER A 119 -2.234 3.951 16.963 1.00 0.00 C ATOM 1825 OG SER A 119 -3.297 3.051 16.700 1.00 0.00 O ATOM 0 H SER A 119 -3.629 5.458 15.561 1.00 0.00 H new ATOM 0 HA SER A 119 -0.830 5.163 15.932 1.00 0.00 H new ATOM 0 HB2 SER A 119 -1.421 3.422 17.460 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.573 4.729 17.646 1.00 0.00 H new ATOM 0 HG SER A 119 -2.982 2.336 16.108 1.00 0.00 H new ATOM 1831 N ILE A 120 -0.711 3.962 13.597 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.383 3.111 12.478 1.00 0.00 C ATOM 1833 C ILE A 120 0.899 3.587 11.798 1.00 0.00 C ATOM 1834 O ILE A 120 1.779 2.789 11.476 1.00 0.00 O ATOM 1835 CB ILE A 120 -1.568 3.152 11.491 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -2.769 2.433 12.095 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.211 2.564 10.144 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -3.952 2.349 11.162 1.00 0.00 C ATOM 0 H ILE A 120 -0.376 4.921 13.503 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.211 2.090 12.819 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.823 4.198 11.320 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.472 1.425 12.383 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.071 2.949 13.006 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.077 2.615 9.484 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.387 3.129 9.707 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.911 1.524 10.269 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.770 1.825 11.657 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.275 3.355 10.893 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -3.667 1.806 10.261 1.00 0.00 H new ATOM 1850 N LEU A 121 0.998 4.897 11.599 1.00 0.00 N ATOM 1851 CA LEU A 121 2.174 5.493 10.976 1.00 0.00 C ATOM 1852 C LEU A 121 2.831 6.495 11.923 1.00 0.00 C ATOM 1853 O LEU A 121 3.431 7.478 11.489 1.00 0.00 O ATOM 1854 CB LEU A 121 1.810 6.175 9.646 1.00 0.00 C ATOM 1855 CG LEU A 121 0.553 7.061 9.650 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -0.708 6.216 9.549 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.509 7.951 10.883 1.00 0.00 C ATOM 0 H LEU A 121 0.276 5.568 11.861 1.00 0.00 H new ATOM 0 HA LEU A 121 2.884 4.693 10.764 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.657 6.786 9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.679 5.401 8.890 1.00 0.00 H new ATOM 0 HG LEU A 121 0.601 7.707 8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.583 6.866 9.554 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.688 5.642 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.758 5.534 10.398 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.391 8.565 10.857 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.499 7.331 11.779 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.388 8.596 10.898 1.00 0.00 H new ATOM 1869 N ARG A 122 2.701 6.235 13.223 1.00 0.00 N ATOM 1870 CA ARG A 122 3.264 7.106 14.253 1.00 0.00 C ATOM 1871 C ARG A 122 4.685 7.552 13.920 1.00 0.00 C ATOM 1872 O ARG A 122 5.018 8.729 14.050 1.00 0.00 O ATOM 1873 CB ARG A 122 3.244 6.398 15.610 1.00 0.00 C ATOM 1874 CG ARG A 122 3.776 4.974 15.563 1.00 0.00 C ATOM 1875 CD ARG A 122 3.220 4.136 16.703 1.00 0.00 C ATOM 1876 NE ARG A 122 4.139 3.074 17.103 1.00 0.00 N ATOM 1877 CZ ARG A 122 5.190 3.261 17.898 1.00 0.00 C ATOM 1878 NH1 ARG A 122 5.463 4.469 18.375 1.00 0.00 N ATOM 1879 NH2 ARG A 122 5.972 2.239 18.217 1.00 0.00 N ATOM 0 H ARG A 122 2.207 5.422 13.590 1.00 0.00 H new ATOM 0 HA ARG A 122 2.642 8.000 14.295 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.837 6.975 16.320 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.221 6.382 15.987 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.511 4.516 14.610 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.865 4.989 15.618 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.015 4.779 17.559 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.269 3.697 16.400 1.00 0.00 H new ATOM 0 HE ARG A 122 3.965 2.132 16.752 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.866 5.260 18.133 1.00 0.00 H new ATOM 0 HH12 ARG A 122 6.270 4.607 18.984 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.769 1.308 17.853 1.00 0.00 H new ATOM 0 HH22 ARG A 122 6.777 2.384 18.826 1.00 0.00 H new ATOM 1893 N PHE A 123 5.519 6.612 13.496 1.00 0.00 N ATOM 1894 CA PHE A 123 6.903 6.926 13.154 1.00 0.00 C ATOM 1895 C PHE A 123 7.539 5.808 12.338 1.00 0.00 C ATOM 1896 O PHE A 123 8.754 5.620 12.366 1.00 0.00 O ATOM 1897 CB PHE A 123 7.717 7.171 14.426 1.00 0.00 C ATOM 1898 CG PHE A 123 9.121 7.640 14.163 1.00 0.00 C ATOM 1899 CD1 PHE A 123 9.356 8.894 13.621 1.00 0.00 C ATOM 1900 CD2 PHE A 123 10.203 6.828 14.457 1.00 0.00 C ATOM 1901 CE1 PHE A 123 10.646 9.327 13.379 1.00 0.00 C ATOM 1902 CE2 PHE A 123 11.495 7.256 14.217 1.00 0.00 C ATOM 1903 CZ PHE A 123 11.717 8.506 13.675 1.00 0.00 C ATOM 0 H PHE A 123 5.265 5.631 13.381 1.00 0.00 H new ATOM 0 HA PHE A 123 6.901 7.831 12.546 1.00 0.00 H new ATOM 0 HB2 PHE A 123 7.204 7.913 15.038 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.754 6.249 15.007 1.00 0.00 H new ATOM 0 HD1 PHE A 123 8.523 9.539 13.385 1.00 0.00 H new ATOM 0 HD2 PHE A 123 10.035 5.848 14.879 1.00 0.00 H new ATOM 0 HE1 PHE A 123 10.817 10.307 12.959 1.00 0.00 H new ATOM 0 HE2 PHE A 123 12.330 6.613 14.453 1.00 0.00 H new ATOM 0 HZ PHE A 123 12.725 8.841 13.483 1.00 0.00 H new ATOM 1913 N ILE A 124 6.712 5.064 11.613 1.00 0.00 N ATOM 1914 CA ILE A 124 7.191 3.970 10.795 1.00 0.00 C ATOM 1915 C ILE A 124 7.611 4.464 9.412 1.00 0.00 C ATOM 1916 O ILE A 124 7.535 5.658 9.123 1.00 0.00 O ATOM 1917 CB ILE A 124 6.105 2.888 10.661 1.00 0.00 C ATOM 1918 CG1 ILE A 124 4.973 3.367 9.745 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.566 2.507 12.034 1.00 0.00 C ATOM 1920 CD1 ILE A 124 3.814 2.395 9.652 1.00 0.00 C ATOM 0 H ILE A 124 5.702 5.204 11.579 1.00 0.00 H new ATOM 0 HA ILE A 124 8.064 3.539 11.285 1.00 0.00 H new ATOM 0 HB ILE A 124 6.552 2.003 10.209 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.604 4.326 10.109 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.374 3.538 8.746 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.799 1.741 11.924 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.379 2.121 12.650 1.00 0.00 H new ATOM 0 HG23 ILE A 124 5.135 3.386 12.512 1.00 0.00 H new ATOM 0 HD11 ILE A 124 3.051 2.801 8.987 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.169 1.442 9.259 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.387 2.242 10.643 1.00 0.00 H new ATOM 1932 N THR A 125 8.051 3.544 8.560 1.00 0.00 N ATOM 1933 CA THR A 125 8.482 3.900 7.212 1.00 0.00 C ATOM 1934 C THR A 125 7.361 4.600 6.449 1.00 0.00 C ATOM 1935 O THR A 125 6.466 3.952 5.909 1.00 0.00 O ATOM 1936 CB THR A 125 8.926 2.647 6.452 1.00 0.00 C ATOM 1937 OG1 THR A 125 10.036 2.041 7.090 1.00 0.00 O ATOM 1938 CG2 THR A 125 9.317 2.921 5.015 1.00 0.00 C ATOM 0 H THR A 125 8.119 2.550 8.777 1.00 0.00 H new ATOM 0 HA THR A 125 9.324 4.587 7.295 1.00 0.00 H new ATOM 0 HB THR A 125 8.058 1.987 6.455 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.304 1.241 6.591 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.621 1.990 4.537 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.466 3.343 4.480 1.00 0.00 H new ATOM 0 HG23 THR A 125 10.146 3.628 4.992 1.00 0.00 H new ATOM 1946 N VAL A 126 7.416 5.927 6.406 1.00 0.00 N ATOM 1947 CA VAL A 126 6.407 6.712 5.711 1.00 0.00 C ATOM 1948 C VAL A 126 7.011 7.476 4.536 1.00 0.00 C ATOM 1949 O VAL A 126 8.086 8.063 4.652 1.00 0.00 O ATOM 1950 CB VAL A 126 5.722 7.706 6.667 1.00 0.00 C ATOM 1951 CG1 VAL A 126 6.691 8.793 7.110 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.489 8.312 6.013 1.00 0.00 C ATOM 0 H VAL A 126 8.151 6.481 6.846 1.00 0.00 H new ATOM 0 HA VAL A 126 5.663 6.012 5.332 1.00 0.00 H new ATOM 0 HB VAL A 126 5.405 7.160 7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.182 9.482 7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.537 8.338 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 126 7.049 9.339 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.018 9.012 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.781 8.839 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.784 7.520 5.762 1.00 0.00 H new ATOM 1962 N CYS A 127 6.311 7.465 3.405 1.00 0.00 N ATOM 1963 CA CYS A 127 6.779 8.161 2.214 1.00 0.00 C ATOM 1964 C CYS A 127 5.913 9.377 1.914 1.00 0.00 C ATOM 1965 O CYS A 127 4.847 9.263 1.306 1.00 0.00 O ATOM 1966 CB CYS A 127 6.788 7.213 1.012 1.00 0.00 C ATOM 1967 SG CYS A 127 8.396 6.459 0.677 1.00 0.00 S ATOM 0 H CYS A 127 5.420 6.982 3.290 1.00 0.00 H new ATOM 0 HA CYS A 127 7.796 8.504 2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 127 6.057 6.423 1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 127 6.465 7.762 0.128 1.00 0.00 H new ATOM 0 HG CYS A 127 9.243 7.381 0.326 1.00 0.00 H new ATOM 1973 N ASP A 128 6.381 10.544 2.341 1.00 0.00 N ATOM 1974 CA ASP A 128 5.659 11.790 2.120 1.00 0.00 C ATOM 1975 C ASP A 128 6.478 12.731 1.248 1.00 0.00 C ATOM 1976 O ASP A 128 7.696 12.824 1.394 1.00 0.00 O ATOM 1977 CB ASP A 128 5.334 12.462 3.455 1.00 0.00 C ATOM 1978 CG ASP A 128 4.291 13.554 3.318 1.00 0.00 C ATOM 1979 OD1 ASP A 128 3.852 13.819 2.179 1.00 0.00 O ATOM 1980 OD2 ASP A 128 3.911 14.145 4.350 1.00 0.00 O ATOM 0 H ASP A 128 7.261 10.653 2.844 1.00 0.00 H new ATOM 0 HA ASP A 128 4.725 11.560 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 128 4.977 11.710 4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 128 6.246 12.886 3.876 1.00 0.00 H new ATOM 1985 N TYR A 129 5.807 13.431 0.340 1.00 0.00 N ATOM 1986 CA TYR A 129 6.490 14.361 -0.547 1.00 0.00 C ATOM 1987 C TYR A 129 6.613 15.732 0.105 1.00 0.00 C ATOM 1988 O TYR A 129 5.820 16.635 -0.161 1.00 0.00 O ATOM 1989 CB TYR A 129 5.760 14.475 -1.887 1.00 0.00 C ATOM 1990 CG TYR A 129 5.636 13.160 -2.627 1.00 0.00 C ATOM 1991 CD1 TYR A 129 4.831 12.136 -2.140 1.00 0.00 C ATOM 1992 CD2 TYR A 129 6.326 12.943 -3.814 1.00 0.00 C ATOM 1993 CE1 TYR A 129 4.718 10.935 -2.816 1.00 0.00 C ATOM 1994 CE2 TYR A 129 6.217 11.745 -4.493 1.00 0.00 C ATOM 1995 CZ TYR A 129 5.413 10.745 -3.991 1.00 0.00 C ATOM 1996 OH TYR A 129 5.303 9.550 -4.666 1.00 0.00 O ATOM 0 H TYR A 129 4.798 13.372 0.200 1.00 0.00 H new ATOM 0 HA TYR A 129 7.491 13.973 -0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.763 14.880 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.288 15.189 -2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 129 4.285 12.281 -1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 129 6.957 13.724 -4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 129 4.088 10.150 -2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 129 6.760 11.593 -5.414 1.00 0.00 H new ATOM 0 HH TYR A 129 5.855 9.579 -5.475 1.00 0.00 H new ATOM 2006 N THR A 130 7.625 15.879 0.951 1.00 0.00 N ATOM 2007 CA THR A 130 7.874 17.141 1.639 1.00 0.00 C ATOM 2008 C THR A 130 8.842 17.981 0.821 1.00 0.00 C ATOM 2009 O THR A 130 8.704 19.198 0.715 1.00 0.00 O ATOM 2010 CB THR A 130 8.442 16.887 3.040 1.00 0.00 C ATOM 2011 OG1 THR A 130 9.844 16.693 2.986 1.00 0.00 O ATOM 2012 CG2 THR A 130 7.839 15.677 3.724 1.00 0.00 C ATOM 0 H THR A 130 8.289 15.138 1.178 1.00 0.00 H new ATOM 0 HA THR A 130 6.932 17.679 1.747 1.00 0.00 H new ATOM 0 HB THR A 130 8.187 17.775 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.187 16.534 3.890 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.286 15.556 4.711 1.00 0.00 H new ATOM 0 HG22 THR A 130 6.763 15.816 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.033 14.787 3.126 1.00 0.00 H new ATOM 2020 N ASN A 131 9.811 17.299 0.225 1.00 0.00 N ATOM 2021 CA ASN A 131 10.808 17.935 -0.616 1.00 0.00 C ATOM 2022 C ASN A 131 11.015 17.096 -1.874 1.00 0.00 C ATOM 2023 O ASN A 131 12.133 16.681 -2.182 1.00 0.00 O ATOM 2024 CB ASN A 131 12.129 18.094 0.142 1.00 0.00 C ATOM 2025 CG ASN A 131 12.251 19.449 0.809 1.00 0.00 C ATOM 2026 OD1 ASN A 131 13.087 20.270 0.430 1.00 0.00 O ATOM 2027 ND2 ASN A 131 11.416 19.693 1.814 1.00 0.00 N ATOM 0 H ASN A 131 9.925 16.289 0.313 1.00 0.00 H new ATOM 0 HA ASN A 131 10.458 18.928 -0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 131 12.208 17.312 0.897 1.00 0.00 H new ATOM 0 HB3 ASN A 131 12.961 17.956 -0.549 1.00 0.00 H new ATOM 0 HD21 ASN A 131 11.453 20.588 2.302 1.00 0.00 H new ATOM 0 HD22 ASN A 131 10.738 18.985 2.097 1.00 0.00 H new ATOM 2034 N PRO A 132 9.922 16.823 -2.610 1.00 0.00 N ATOM 2035 CA PRO A 132 9.959 16.016 -3.831 1.00 0.00 C ATOM 2036 C PRO A 132 11.078 16.437 -4.774 1.00 0.00 C ATOM 2037 O PRO A 132 11.567 15.635 -5.569 1.00 0.00 O ATOM 2038 CB PRO A 132 8.586 16.260 -4.483 1.00 0.00 C ATOM 2039 CG PRO A 132 7.933 17.334 -3.671 1.00 0.00 C ATOM 2040 CD PRO A 132 8.558 17.268 -2.310 1.00 0.00 C ATOM 0 HA PRO A 132 10.153 14.967 -3.609 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.696 16.569 -5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.986 15.350 -4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 132 8.089 18.313 -4.124 1.00 0.00 H new ATOM 0 HG3 PRO A 132 6.856 17.177 -3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 132 8.548 18.237 -1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 132 8.037 16.568 -1.657 1.00 0.00 H new ATOM 2048 N CYS A 133 11.476 17.700 -4.678 1.00 0.00 N ATOM 2049 CA CYS A 133 12.541 18.242 -5.520 1.00 0.00 C ATOM 2050 C CYS A 133 13.719 17.273 -5.611 1.00 0.00 C ATOM 2051 O CYS A 133 14.335 17.126 -6.667 1.00 0.00 O ATOM 2052 CB CYS A 133 13.015 19.590 -4.970 1.00 0.00 C ATOM 2053 SG CYS A 133 12.467 21.014 -5.938 1.00 0.00 S ATOM 0 H CYS A 133 11.077 18.372 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 133 12.138 18.385 -6.523 1.00 0.00 H new ATOM 0 HB2 CYS A 133 12.656 19.700 -3.947 1.00 0.00 H new ATOM 0 HB3 CYS A 133 14.104 19.590 -4.927 1.00 0.00 H new ATOM 0 HG CYS A 133 12.915 22.107 -5.394 1.00 0.00 H new ATOM 2059 N THR A 134 14.020 16.613 -4.499 1.00 0.00 N ATOM 2060 CA THR A 134 15.118 15.652 -4.451 1.00 0.00 C ATOM 2061 C THR A 134 14.620 14.269 -4.045 1.00 0.00 C ATOM 2062 O THR A 134 15.182 13.252 -4.452 1.00 0.00 O ATOM 2063 CB THR A 134 16.197 16.126 -3.474 1.00 0.00 C ATOM 2064 OG1 THR A 134 17.246 15.179 -3.387 1.00 0.00 O ATOM 2065 CG2 THR A 134 15.675 16.364 -2.074 1.00 0.00 C ATOM 0 H THR A 134 13.519 16.725 -3.617 1.00 0.00 H new ATOM 0 HA THR A 134 15.547 15.582 -5.451 1.00 0.00 H new ATOM 0 HB THR A 134 16.554 17.074 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 134 17.926 15.501 -2.759 1.00 0.00 H new ATOM 0 HG21 THR A 134 16.491 16.698 -1.433 1.00 0.00 H new ATOM 0 HG22 THR A 134 14.898 17.128 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 134 15.259 15.437 -1.678 1.00 0.00 H new ATOM 2073 N LYS A 135 13.558 14.238 -3.249 1.00 0.00 N ATOM 2074 CA LYS A 135 12.974 12.983 -2.792 1.00 0.00 C ATOM 2075 C LYS A 135 12.178 12.304 -3.907 1.00 0.00 C ATOM 2076 O LYS A 135 11.677 11.195 -3.731 1.00 0.00 O ATOM 2077 CB LYS A 135 12.071 13.230 -1.583 1.00 0.00 C ATOM 2078 CG LYS A 135 12.831 13.641 -0.331 1.00 0.00 C ATOM 2079 CD LYS A 135 11.922 14.338 0.672 1.00 0.00 C ATOM 2080 CE LYS A 135 11.893 13.607 2.006 1.00 0.00 C ATOM 2081 NZ LYS A 135 10.507 13.459 2.532 1.00 0.00 N ATOM 0 H LYS A 135 13.082 15.072 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 135 13.789 12.320 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 135 11.349 14.008 -1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.503 12.324 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 135 13.276 12.760 0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 135 13.651 14.306 -0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.265 15.361 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 135 10.912 14.398 0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 135 12.343 12.621 1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 135 12.499 14.151 2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 10.451 12.609 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 10.259 14.296 3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 9.842 13.369 1.738 1.00 0.00 H new ATOM 2095 N SER A 136 12.056 12.979 -5.052 1.00 0.00 N ATOM 2096 CA SER A 136 11.313 12.444 -6.194 1.00 0.00 C ATOM 2097 C SER A 136 11.643 10.973 -6.453 1.00 0.00 C ATOM 2098 O SER A 136 10.822 10.231 -6.992 1.00 0.00 O ATOM 2099 CB SER A 136 11.608 13.269 -7.447 1.00 0.00 C ATOM 2100 OG SER A 136 13.002 13.338 -7.697 1.00 0.00 O ATOM 0 H SER A 136 12.464 13.900 -5.213 1.00 0.00 H new ATOM 0 HA SER A 136 10.252 12.509 -5.952 1.00 0.00 H new ATOM 0 HB2 SER A 136 11.103 12.826 -8.305 1.00 0.00 H new ATOM 0 HB3 SER A 136 11.207 14.275 -7.326 1.00 0.00 H new ATOM 0 HG SER A 136 13.164 13.869 -8.504 1.00 0.00 H new ATOM 2106 N TRP A 137 12.846 10.556 -6.068 1.00 0.00 N ATOM 2107 CA TRP A 137 13.274 9.172 -6.266 1.00 0.00 C ATOM 2108 C TRP A 137 12.445 8.199 -5.427 1.00 0.00 C ATOM 2109 O TRP A 137 12.546 6.984 -5.597 1.00 0.00 O ATOM 2110 CB TRP A 137 14.756 9.018 -5.920 1.00 0.00 C ATOM 2111 CG TRP A 137 15.630 10.046 -6.571 1.00 0.00 C ATOM 2112 CD1 TRP A 137 16.262 11.091 -5.960 1.00 0.00 C ATOM 2113 CD2 TRP A 137 15.970 10.129 -7.959 1.00 0.00 C ATOM 2114 NE1 TRP A 137 16.974 11.817 -6.884 1.00 0.00 N ATOM 2115 CE2 TRP A 137 16.810 11.246 -8.118 1.00 0.00 C ATOM 2116 CE3 TRP A 137 15.644 9.365 -9.085 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 17.328 11.618 -9.357 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 16.160 9.735 -10.314 1.00 0.00 C ATOM 2119 CH2 TRP A 137 16.994 10.852 -10.440 1.00 0.00 C ATOM 0 H TRP A 137 13.540 11.153 -5.619 1.00 0.00 H new ATOM 0 HA TRP A 137 13.119 8.930 -7.317 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.877 9.081 -4.839 1.00 0.00 H new ATOM 0 HB3 TRP A 137 15.090 8.025 -6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 137 16.210 11.314 -4.905 1.00 0.00 H new ATOM 0 HE1 TRP A 137 17.533 12.646 -6.684 1.00 0.00 H new ATOM 0 HE3 TRP A 137 15.001 8.502 -8.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 17.970 12.480 -9.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 15.915 9.153 -11.190 1.00 0.00 H new ATOM 0 HH2 TRP A 137 17.382 11.115 -11.413 1.00 0.00 H new ATOM 2130 N PHE A 138 11.630 8.733 -4.514 1.00 0.00 N ATOM 2131 CA PHE A 138 10.790 7.905 -3.650 1.00 0.00 C ATOM 2132 C PHE A 138 10.102 6.791 -4.437 1.00 0.00 C ATOM 2133 O PHE A 138 9.826 5.719 -3.899 1.00 0.00 O ATOM 2134 CB PHE A 138 9.740 8.769 -2.946 1.00 0.00 C ATOM 2135 CG PHE A 138 10.118 9.161 -1.546 1.00 0.00 C ATOM 2136 CD1 PHE A 138 10.668 8.233 -0.675 1.00 0.00 C ATOM 2137 CD2 PHE A 138 9.921 10.458 -1.101 1.00 0.00 C ATOM 2138 CE1 PHE A 138 11.016 8.594 0.613 1.00 0.00 C ATOM 2139 CE2 PHE A 138 10.266 10.822 0.187 1.00 0.00 C ATOM 2140 CZ PHE A 138 10.814 9.889 1.045 1.00 0.00 C ATOM 0 H PHE A 138 11.535 9.736 -4.355 1.00 0.00 H new ATOM 0 HA PHE A 138 11.437 7.442 -2.905 1.00 0.00 H new ATOM 0 HB2 PHE A 138 9.572 9.672 -3.534 1.00 0.00 H new ATOM 0 HB3 PHE A 138 8.795 8.226 -2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 138 10.826 7.217 -1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 138 9.493 11.192 -1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 138 11.446 7.863 1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 138 10.107 11.836 0.522 1.00 0.00 H new ATOM 0 HZ PHE A 138 11.084 10.172 2.052 1.00 0.00 H new ATOM 2150 N TRP A 139 9.831 7.050 -5.713 1.00 0.00 N ATOM 2151 CA TRP A 139 9.178 6.066 -6.571 1.00 0.00 C ATOM 2152 C TRP A 139 9.925 4.734 -6.530 1.00 0.00 C ATOM 2153 O TRP A 139 9.325 3.682 -6.315 1.00 0.00 O ATOM 2154 CB TRP A 139 9.105 6.577 -8.012 1.00 0.00 C ATOM 2155 CG TRP A 139 7.820 7.280 -8.335 1.00 0.00 C ATOM 2156 CD1 TRP A 139 6.614 7.117 -7.716 1.00 0.00 C ATOM 2157 CD2 TRP A 139 7.615 8.256 -9.363 1.00 0.00 C ATOM 2158 NE1 TRP A 139 5.673 7.933 -8.295 1.00 0.00 N ATOM 2159 CE2 TRP A 139 6.263 8.643 -9.308 1.00 0.00 C ATOM 2160 CE3 TRP A 139 8.445 8.843 -10.324 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 5.722 9.587 -10.176 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 7.906 9.780 -11.185 1.00 0.00 C ATOM 2163 CH2 TRP A 139 6.556 10.144 -11.106 1.00 0.00 C ATOM 0 H TRP A 139 10.053 7.932 -6.175 1.00 0.00 H new ATOM 0 HA TRP A 139 8.165 5.911 -6.199 1.00 0.00 H new ATOM 0 HB2 TRP A 139 9.937 7.258 -8.190 1.00 0.00 H new ATOM 0 HB3 TRP A 139 9.231 5.736 -8.694 1.00 0.00 H new ATOM 0 HD1 TRP A 139 6.427 6.445 -6.892 1.00 0.00 H new ATOM 0 HE1 TRP A 139 4.694 8.000 -8.016 1.00 0.00 H new ATOM 0 HE3 TRP A 139 9.487 8.569 -10.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 4.681 9.869 -10.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 8.537 10.239 -11.932 1.00 0.00 H new ATOM 0 HH2 TRP A 139 6.165 10.880 -11.794 1.00 0.00 H new ATOM 2174 N THR A 140 11.236 4.794 -6.736 1.00 0.00 N ATOM 2175 CA THR A 140 12.068 3.596 -6.718 1.00 0.00 C ATOM 2176 C THR A 140 12.106 2.986 -5.321 1.00 0.00 C ATOM 2177 O THR A 140 12.202 1.768 -5.168 1.00 0.00 O ATOM 2178 CB THR A 140 13.487 3.933 -7.183 1.00 0.00 C ATOM 2179 OG1 THR A 140 13.471 4.469 -8.493 1.00 0.00 O ATOM 2180 CG2 THR A 140 14.418 2.740 -7.187 1.00 0.00 C ATOM 0 H THR A 140 11.745 5.659 -6.917 1.00 0.00 H new ATOM 0 HA THR A 140 11.634 2.866 -7.401 1.00 0.00 H new ATOM 0 HB THR A 140 13.860 4.660 -6.462 1.00 0.00 H new ATOM 0 HG1 THR A 140 14.387 4.680 -8.772 1.00 0.00 H new ATOM 0 HG21 THR A 140 15.406 3.051 -7.527 1.00 0.00 H new ATOM 0 HG22 THR A 140 14.493 2.333 -6.178 1.00 0.00 H new ATOM 0 HG23 THR A 140 14.027 1.976 -7.858 1.00 0.00 H new ATOM 2188 N ARG A 141 12.028 3.840 -4.306 1.00 0.00 N ATOM 2189 CA ARG A 141 12.050 3.383 -2.924 1.00 0.00 C ATOM 2190 C ARG A 141 10.877 2.449 -2.643 1.00 0.00 C ATOM 2191 O ARG A 141 11.049 1.375 -2.072 1.00 0.00 O ATOM 2192 CB ARG A 141 12.007 4.577 -1.967 1.00 0.00 C ATOM 2193 CG ARG A 141 13.384 5.066 -1.542 1.00 0.00 C ATOM 2194 CD ARG A 141 13.462 5.278 -0.037 1.00 0.00 C ATOM 2195 NE ARG A 141 13.440 4.014 0.693 1.00 0.00 N ATOM 2196 CZ ARG A 141 13.146 3.913 1.988 1.00 0.00 C ATOM 2197 NH1 ARG A 141 12.851 4.996 2.696 1.00 0.00 N ATOM 2198 NH2 ARG A 141 13.149 2.725 2.577 1.00 0.00 N ATOM 0 H ARG A 141 11.949 4.851 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 141 12.977 2.833 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 141 11.471 5.397 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 141 11.439 4.300 -1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 141 14.139 4.341 -1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 141 13.613 6.000 -2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 141 14.375 5.822 0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 141 12.626 5.898 0.286 1.00 0.00 H new ATOM 0 HE ARG A 141 13.662 3.160 0.182 1.00 0.00 H new ATOM 0 HH11 ARG A 141 12.849 5.913 2.249 1.00 0.00 H new ATOM 0 HH12 ARG A 141 12.627 4.912 3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 141 13.376 1.889 2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 141 12.924 2.647 3.569 1.00 0.00 H new ATOM 2212 N LEU A 142 9.683 2.869 -3.053 1.00 0.00 N ATOM 2213 CA LEU A 142 8.481 2.071 -2.849 1.00 0.00 C ATOM 2214 C LEU A 142 8.383 0.960 -3.889 1.00 0.00 C ATOM 2215 O LEU A 142 7.956 -0.153 -3.586 1.00 0.00 O ATOM 2216 CB LEU A 142 7.236 2.958 -2.912 1.00 0.00 C ATOM 2217 CG LEU A 142 6.126 2.586 -1.927 1.00 0.00 C ATOM 2218 CD1 LEU A 142 5.718 1.133 -2.108 1.00 0.00 C ATOM 2219 CD2 LEU A 142 6.576 2.841 -0.498 1.00 0.00 C ATOM 0 H LEU A 142 9.524 3.757 -3.528 1.00 0.00 H new ATOM 0 HA LEU A 142 8.542 1.614 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 142 7.534 3.990 -2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.832 2.919 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 142 5.259 3.214 -2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.928 0.886 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.355 0.981 -3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 142 6.579 0.489 -1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.774 2.571 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 142 7.458 2.239 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 142 6.819 3.897 -0.376 1.00 0.00 H new ATOM 2231 N ALA A 143 8.782 1.273 -5.118 1.00 0.00 N ATOM 2232 CA ALA A 143 8.740 0.302 -6.204 1.00 0.00 C ATOM 2233 C ALA A 143 9.654 -0.882 -5.913 1.00 0.00 C ATOM 2234 O ALA A 143 9.346 -2.020 -6.268 1.00 0.00 O ATOM 2235 CB ALA A 143 9.131 0.963 -7.518 1.00 0.00 C ATOM 0 H ALA A 143 9.138 2.191 -5.386 1.00 0.00 H new ATOM 0 HA ALA A 143 7.719 -0.071 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 143 9.095 0.226 -8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.436 1.774 -7.738 1.00 0.00 H new ATOM 0 HB3 ALA A 143 10.142 1.363 -7.437 1.00 0.00 H new ATOM 2241 N LYS A 144 10.780 -0.605 -5.265 1.00 0.00 N ATOM 2242 CA LYS A 144 11.744 -1.646 -4.924 1.00 0.00 C ATOM 2243 C LYS A 144 11.502 -2.182 -3.513 1.00 0.00 C ATOM 2244 O LYS A 144 11.996 -3.251 -3.156 1.00 0.00 O ATOM 2245 CB LYS A 144 13.169 -1.102 -5.043 1.00 0.00 C ATOM 2246 CG LYS A 144 14.242 -2.112 -4.666 1.00 0.00 C ATOM 2247 CD LYS A 144 14.955 -1.720 -3.382 1.00 0.00 C ATOM 2248 CE LYS A 144 15.078 -2.899 -2.429 1.00 0.00 C ATOM 2249 NZ LYS A 144 16.208 -3.796 -2.796 1.00 0.00 N ATOM 0 H LYS A 144 11.048 0.332 -4.965 1.00 0.00 H new ATOM 0 HA LYS A 144 11.615 -2.470 -5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 144 13.338 -0.771 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.268 -0.224 -4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 144 13.789 -3.096 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 144 14.967 -2.192 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 144 15.948 -1.337 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 144 14.410 -0.912 -2.894 1.00 0.00 H new ATOM 0 HE2 LYS A 144 15.222 -2.531 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 144 14.148 -3.467 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 16.257 -4.586 -2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 16.058 -4.168 -3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 17.099 -3.261 -2.767 1.00 0.00 H new ATOM 2263 N ALA A 145 10.742 -1.436 -2.715 1.00 0.00 N ATOM 2264 CA ALA A 145 10.440 -1.844 -1.349 1.00 0.00 C ATOM 2265 C ALA A 145 9.294 -2.850 -1.312 1.00 0.00 C ATOM 2266 O ALA A 145 9.125 -3.575 -0.331 1.00 0.00 O ATOM 2267 CB ALA A 145 10.104 -0.630 -0.496 1.00 0.00 C ATOM 0 H ALA A 145 10.325 -0.547 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 145 11.327 -2.329 -0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 145 9.881 -0.951 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 145 10.954 0.052 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.236 -0.120 -0.914 1.00 0.00 H new ATOM 2273 N LEU A 146 8.509 -2.887 -2.383 1.00 0.00 N ATOM 2274 CA LEU A 146 7.381 -3.802 -2.471 1.00 0.00 C ATOM 2275 C LEU A 146 7.823 -5.159 -3.010 1.00 0.00 C ATOM 2276 O LEU A 146 7.210 -6.185 -2.716 1.00 0.00 O ATOM 2277 CB LEU A 146 6.294 -3.214 -3.370 1.00 0.00 C ATOM 2278 CG LEU A 146 5.391 -2.176 -2.703 1.00 0.00 C ATOM 2279 CD1 LEU A 146 4.501 -1.501 -3.735 1.00 0.00 C ATOM 2280 CD2 LEU A 146 4.549 -2.824 -1.613 1.00 0.00 C ATOM 0 H LEU A 146 8.635 -2.293 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 146 6.978 -3.943 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 146 6.770 -2.755 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 146 5.672 -4.028 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 146 6.022 -1.415 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.865 -0.766 -3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 146 5.121 -1.003 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 146 3.878 -2.250 -4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 146 3.912 -2.071 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 146 3.927 -3.606 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 146 5.204 -3.260 -0.859 1.00 0.00 H new ATOM 2292 N SER A 147 8.891 -5.156 -3.802 1.00 0.00 N ATOM 2293 CA SER A 147 9.414 -6.384 -4.381 1.00 0.00 C ATOM 2294 C SER A 147 10.921 -6.492 -4.166 1.00 0.00 C ATOM 2295 O SER A 147 11.672 -6.788 -5.095 1.00 0.00 O ATOM 2296 CB SER A 147 9.093 -6.444 -5.877 1.00 0.00 C ATOM 2297 OG SER A 147 9.832 -5.474 -6.596 1.00 0.00 O ATOM 0 H SER A 147 9.410 -4.315 -4.056 1.00 0.00 H new ATOM 0 HA SER A 147 8.935 -7.225 -3.879 1.00 0.00 H new ATOM 0 HB2 SER A 147 9.321 -7.438 -6.261 1.00 0.00 H new ATOM 0 HB3 SER A 147 8.026 -6.280 -6.030 1.00 0.00 H new ATOM 0 HG SER A 147 10.791 -5.633 -6.470 1.00 0.00 H new