USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 918 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 116 TYR OH : rot 180:sc= 0.0666 USER MOD Set 1.2: A 117 GLN : amide:sc= -0.684 K(o=-0.62,f=-1.8) USER MOD Set 2.1: A 110 GLN : amide:sc= -2.3! C(o=-2.8!,f=-3.8!) USER MOD Set 2.2: A 113 GLN : amide:sc= -0.513 K(o=-2.8,f=-4.7!) USER MOD Set 3.1: A 8 CYS SG : rot 135:sc= -0.608 USER MOD Set 3.2: A 34 CYS SG : rot 114:sc= -0.971 USER MOD Single : A 4 GLN : amide:sc= 0.0751 X(o=0.075,f=0) USER MOD Single : A 13 SER OG : rot 150:sc= -0.0352 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00843 USER MOD Single : A 18 GLN : amide:sc= -1.05 K(o=-1.1,f=-1.8) USER MOD Single : A 20 CYS SG : rot 82:sc= -0.521 USER MOD Single : A 21 GLN : amide:sc= -5.25! C(o=-5.3!,f=-3.6!) USER MOD Single : A 25 SER OG : rot -111:sc= 0.458 USER MOD Single : A 29 TYR OH : rot 165:sc= -1.03 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 32 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.29) USER MOD Single : A 36 SER OG : rot 180:sc= 0.13 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 152:sc= -0.59 USER MOD Single : A 45 GLN : amide:sc= -2.69! C(o=-2.7!,f=-2.6!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -4.26! C(o=-4.3!,f=-2.4!) USER MOD Single : A 50 GLN : amide:sc= -0.0737 K(o=-0.074,f=-0.96) USER MOD Single : A 53 CYS SG : rot 33:sc= -1.11! USER MOD Single : A 60 ASN : amide:sc= 0.112 K(o=0.11,f=-2.8!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.876 K(o=-0.88,f=-2.8!) USER MOD Single : A 71 CYS SG : rot 41:sc= -3.09 USER MOD Single : A 99 TYR OH : rot -15:sc= 0.104 USER MOD Single : A 100 HIS : no HD1:sc= -14.7! C(o=-15!,f=-27!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-6.1!) USER MOD Single : A 109 HIS : no HD1:sc= -2.96 K(o=-3,f=-1.2) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.0901 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 3.684 5.328 15.250 1.00 0.00 N ATOM 51 CA GLN A 4 4.364 4.483 14.224 1.00 0.00 C ATOM 52 C GLN A 4 3.416 4.197 13.048 1.00 0.00 C ATOM 53 O GLN A 4 2.211 4.268 13.174 1.00 0.00 O ATOM 54 CB GLN A 4 4.763 3.193 14.949 1.00 0.00 C ATOM 55 CG GLN A 4 5.777 3.522 16.052 1.00 0.00 C ATOM 56 CD GLN A 4 6.514 2.248 16.477 1.00 0.00 C ATOM 57 OE1 GLN A 4 5.918 1.339 17.018 1.00 0.00 O ATOM 58 NE2 GLN A 4 7.797 2.143 16.256 1.00 0.00 N ATOM 0 HA GLN A 4 5.236 4.979 13.799 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.882 2.717 15.380 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.195 2.484 14.242 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.491 4.263 15.693 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.266 3.961 16.909 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.300 2.905 15.802 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.296 1.299 16.538 1.00 0.00 H new ATOM 67 N ILE A 5 3.965 3.884 11.902 1.00 0.00 N ATOM 68 CA ILE A 5 3.121 3.601 10.697 1.00 0.00 C ATOM 69 C ILE A 5 3.203 2.114 10.328 1.00 0.00 C ATOM 70 O ILE A 5 4.270 1.537 10.304 1.00 0.00 O ATOM 71 CB ILE A 5 3.744 4.458 9.585 1.00 0.00 C ATOM 72 CG1 ILE A 5 3.467 5.941 9.848 1.00 0.00 C ATOM 73 CG2 ILE A 5 3.158 4.075 8.224 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.210 6.784 8.806 1.00 0.00 C ATOM 0 H ILE A 5 4.970 3.811 11.746 1.00 0.00 H new ATOM 0 HA ILE A 5 2.068 3.830 10.862 1.00 0.00 H new ATOM 0 HB ILE A 5 4.819 4.280 9.578 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.396 6.138 9.797 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.793 6.212 10.852 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.610 4.691 7.447 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.366 3.025 8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.080 4.236 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.017 7.841 8.988 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.281 6.593 8.880 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.862 6.518 7.808 1.00 0.00 H new ATOM 86 N ALA A 6 2.096 1.488 10.017 1.00 0.00 N ATOM 87 CA ALA A 6 2.156 0.053 9.631 1.00 0.00 C ATOM 88 C ALA A 6 2.249 -0.047 8.117 1.00 0.00 C ATOM 89 O ALA A 6 1.318 0.267 7.401 1.00 0.00 O ATOM 90 CB ALA A 6 0.859 -0.569 10.136 1.00 0.00 C ATOM 0 H ALA A 6 1.165 1.906 10.014 1.00 0.00 H new ATOM 0 HA ALA A 6 3.021 -0.459 10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.841 -1.629 9.883 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.797 -0.454 11.218 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.010 -0.070 9.669 1.00 0.00 H new ATOM 96 N ILE A 7 3.372 -0.468 7.621 1.00 0.00 N ATOM 97 CA ILE A 7 3.531 -0.570 6.149 1.00 0.00 C ATOM 98 C ILE A 7 3.711 -2.024 5.725 1.00 0.00 C ATOM 99 O ILE A 7 4.651 -2.689 6.114 1.00 0.00 O ATOM 100 CB ILE A 7 4.780 0.255 5.826 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.548 1.707 6.259 1.00 0.00 C ATOM 102 CG2 ILE A 7 5.060 0.208 4.321 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.700 2.584 5.764 1.00 0.00 C ATOM 0 H ILE A 7 4.186 -0.746 8.169 1.00 0.00 H new ATOM 0 HA ILE A 7 2.654 -0.203 5.615 1.00 0.00 H new ATOM 0 HB ILE A 7 5.636 -0.157 6.360 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.603 2.070 5.856 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.475 1.765 7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.950 0.797 4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.222 -0.825 4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.208 0.619 3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.531 3.615 6.074 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.638 2.226 6.189 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.753 2.536 4.676 1.00 0.00 H new ATOM 115 N CYS A 8 2.820 -2.515 4.913 1.00 0.00 N ATOM 116 CA CYS A 8 2.935 -3.918 4.440 1.00 0.00 C ATOM 117 C CYS A 8 3.478 -3.914 3.013 1.00 0.00 C ATOM 118 O CYS A 8 2.816 -3.488 2.086 1.00 0.00 O ATOM 119 CB CYS A 8 1.507 -4.461 4.485 1.00 0.00 C ATOM 120 SG CYS A 8 1.527 -6.256 4.254 1.00 0.00 S ATOM 0 H CYS A 8 2.014 -2.002 4.556 1.00 0.00 H new ATOM 0 HA CYS A 8 3.609 -4.526 5.043 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.044 -4.213 5.440 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.905 -3.992 3.707 1.00 0.00 H new ATOM 0 HG CYS A 8 0.734 -6.814 5.120 1.00 0.00 H new ATOM 126 N ILE A 9 4.684 -4.364 2.827 1.00 0.00 N ATOM 127 CA ILE A 9 5.264 -4.358 1.459 1.00 0.00 C ATOM 128 C ILE A 9 5.258 -5.751 0.857 1.00 0.00 C ATOM 129 O ILE A 9 5.593 -6.726 1.501 1.00 0.00 O ATOM 130 CB ILE A 9 6.704 -3.890 1.628 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.411 -3.926 0.274 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.430 -4.833 2.578 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.785 -3.272 0.398 1.00 0.00 C ATOM 0 H ILE A 9 5.291 -4.734 3.559 1.00 0.00 H new ATOM 0 HA ILE A 9 4.687 -3.715 0.794 1.00 0.00 H new ATOM 0 HB ILE A 9 6.710 -2.876 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.516 -4.956 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.814 -3.404 -0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.461 -4.502 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.929 -4.831 3.546 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.420 -5.842 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.289 -3.298 -0.568 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.668 -2.237 0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.381 -3.814 1.133 1.00 0.00 H new ATOM 145 N TRP A 10 4.928 -5.842 -0.392 1.00 0.00 N ATOM 146 CA TRP A 10 4.955 -7.174 -1.052 1.00 0.00 C ATOM 147 C TRP A 10 6.106 -7.200 -2.050 1.00 0.00 C ATOM 148 O TRP A 10 6.109 -6.488 -3.034 1.00 0.00 O ATOM 149 CB TRP A 10 3.616 -7.370 -1.771 1.00 0.00 C ATOM 150 CG TRP A 10 3.716 -8.625 -2.586 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.612 -9.614 -2.349 1.00 0.00 C ATOM 152 CD2 TRP A 10 2.939 -9.054 -3.749 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.443 -10.612 -3.286 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.426 -10.319 -4.168 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.875 -8.486 -4.476 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.881 -10.991 -5.262 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.326 -9.165 -5.579 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.830 -10.413 -5.970 1.00 0.00 C ATOM 0 H TRP A 10 4.642 -5.062 -0.984 1.00 0.00 H new ATOM 0 HA TRP A 10 5.101 -7.975 -0.327 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.802 -7.446 -1.050 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.396 -6.515 -2.411 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.342 -9.620 -1.553 1.00 0.00 H new ATOM 0 HE1 TRP A 10 5.003 -11.464 -3.322 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.479 -7.524 -4.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.271 -11.953 -5.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.509 -8.721 -6.129 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.404 -10.926 -6.819 1.00 0.00 H new ATOM 169 N VAL A 11 7.096 -8.001 -1.795 1.00 0.00 N ATOM 170 CA VAL A 11 8.254 -8.050 -2.719 1.00 0.00 C ATOM 171 C VAL A 11 9.083 -9.304 -2.450 1.00 0.00 C ATOM 172 O VAL A 11 9.592 -9.512 -1.367 1.00 0.00 O ATOM 173 CB VAL A 11 9.046 -6.792 -2.390 1.00 0.00 C ATOM 174 CG1 VAL A 11 9.273 -6.727 -0.882 1.00 0.00 C ATOM 175 CG2 VAL A 11 10.388 -6.832 -3.128 1.00 0.00 C ATOM 0 H VAL A 11 7.153 -8.623 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 11 7.963 -8.089 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 11 8.495 -5.907 -2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.840 -5.829 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.311 -6.700 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.830 -7.606 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.958 -5.933 -2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.951 -7.711 -2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.211 -6.881 -4.202 1.00 0.00 H new ATOM 185 N GLU A 12 9.220 -10.137 -3.432 1.00 0.00 N ATOM 186 CA GLU A 12 10.016 -11.386 -3.255 1.00 0.00 C ATOM 187 C GLU A 12 11.507 -11.072 -3.324 1.00 0.00 C ATOM 188 O GLU A 12 12.321 -11.721 -2.697 1.00 0.00 O ATOM 189 CB GLU A 12 9.588 -12.285 -4.410 1.00 0.00 C ATOM 190 CG GLU A 12 8.172 -12.795 -4.149 1.00 0.00 C ATOM 191 CD GLU A 12 7.711 -13.641 -5.334 1.00 0.00 C ATOM 192 OE1 GLU A 12 8.565 -14.138 -6.049 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.512 -13.775 -5.510 1.00 0.00 O ATOM 0 H GLU A 12 8.814 -10.011 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 12 9.845 -11.862 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.621 -11.732 -5.349 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.277 -13.124 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.150 -13.388 -3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.493 -11.955 -4.001 1.00 0.00 H new ATOM 200 N SER A 13 11.868 -10.071 -4.072 1.00 0.00 N ATOM 201 CA SER A 13 13.303 -9.700 -4.171 1.00 0.00 C ATOM 202 C SER A 13 13.725 -8.987 -2.887 1.00 0.00 C ATOM 203 O SER A 13 13.327 -7.867 -2.630 1.00 0.00 O ATOM 204 CB SER A 13 13.377 -8.755 -5.368 1.00 0.00 C ATOM 205 OG SER A 13 14.726 -8.361 -5.578 1.00 0.00 O ATOM 0 H SER A 13 11.231 -9.493 -4.620 1.00 0.00 H new ATOM 0 HA SER A 13 13.962 -10.559 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.988 -9.248 -6.259 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.754 -7.878 -5.192 1.00 0.00 H new ATOM 0 HG SER A 13 14.871 -8.186 -6.531 1.00 0.00 H new ATOM 211 N THR A 14 14.515 -9.626 -2.069 1.00 0.00 N ATOM 212 CA THR A 14 14.939 -8.972 -0.803 1.00 0.00 C ATOM 213 C THR A 14 15.573 -7.613 -1.109 1.00 0.00 C ATOM 214 O THR A 14 15.289 -6.625 -0.463 1.00 0.00 O ATOM 215 CB THR A 14 15.970 -9.921 -0.188 1.00 0.00 C ATOM 216 OG1 THR A 14 15.422 -11.229 -0.109 1.00 0.00 O ATOM 217 CG2 THR A 14 16.344 -9.433 1.212 1.00 0.00 C ATOM 0 H THR A 14 14.882 -10.565 -2.222 1.00 0.00 H new ATOM 0 HA THR A 14 14.103 -8.793 -0.127 1.00 0.00 H new ATOM 0 HB THR A 14 16.863 -9.941 -0.812 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.083 -11.837 0.283 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.078 -10.110 1.649 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.768 -8.431 1.147 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.453 -9.410 1.839 1.00 0.00 H new ATOM 225 N ALA A 15 16.423 -7.555 -2.099 1.00 0.00 N ATOM 226 CA ALA A 15 17.074 -6.258 -2.450 1.00 0.00 C ATOM 227 C ALA A 15 16.018 -5.168 -2.638 1.00 0.00 C ATOM 228 O ALA A 15 16.104 -4.102 -2.062 1.00 0.00 O ATOM 229 CB ALA A 15 17.812 -6.530 -3.760 1.00 0.00 C ATOM 0 H ALA A 15 16.695 -8.348 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 15 17.749 -5.908 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.319 -5.622 -4.087 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.546 -7.321 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.098 -6.841 -4.522 1.00 0.00 H new ATOM 235 N ILE A 16 15.004 -5.434 -3.414 1.00 0.00 N ATOM 236 CA ILE A 16 13.929 -4.423 -3.599 1.00 0.00 C ATOM 237 C ILE A 16 13.242 -4.231 -2.256 1.00 0.00 C ATOM 238 O ILE A 16 12.904 -3.135 -1.852 1.00 0.00 O ATOM 239 CB ILE A 16 12.987 -5.057 -4.629 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.537 -4.815 -6.036 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.580 -4.459 -4.524 1.00 0.00 C ATOM 242 CD1 ILE A 16 12.895 -5.810 -7.002 1.00 0.00 C ATOM 0 H ILE A 16 14.875 -6.306 -3.927 1.00 0.00 H new ATOM 0 HA ILE A 16 14.276 -3.447 -3.938 1.00 0.00 H new ATOM 0 HB ILE A 16 12.925 -6.127 -4.430 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.325 -3.794 -6.352 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.621 -4.932 -6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.930 -4.925 -5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.181 -4.641 -3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.626 -3.385 -4.706 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.283 -5.643 -8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 16 13.130 -6.827 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.814 -5.671 -7.002 1.00 0.00 H new ATOM 254 N LEU A 17 13.059 -5.314 -1.559 1.00 0.00 N ATOM 255 CA LEU A 17 12.418 -5.264 -0.222 1.00 0.00 C ATOM 256 C LEU A 17 13.273 -4.428 0.737 1.00 0.00 C ATOM 257 O LEU A 17 12.790 -3.508 1.367 1.00 0.00 O ATOM 258 CB LEU A 17 12.374 -6.734 0.205 1.00 0.00 C ATOM 259 CG LEU A 17 12.151 -6.876 1.716 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.498 -6.793 2.435 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.220 -5.772 2.231 1.00 0.00 C ATOM 0 H LEU A 17 13.332 -6.248 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 17 11.430 -4.803 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.575 -7.246 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.308 -7.223 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 17 11.685 -7.841 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.344 -6.893 3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.147 -7.595 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.964 -5.831 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.074 -5.890 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.665 -4.798 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.257 -5.842 1.724 1.00 0.00 H new ATOM 273 N GLN A 18 14.541 -4.727 0.841 1.00 0.00 N ATOM 274 CA GLN A 18 15.409 -3.934 1.753 1.00 0.00 C ATOM 275 C GLN A 18 15.394 -2.464 1.333 1.00 0.00 C ATOM 276 O GLN A 18 15.420 -1.574 2.157 1.00 0.00 O ATOM 277 CB GLN A 18 16.817 -4.518 1.602 1.00 0.00 C ATOM 278 CG GLN A 18 16.821 -5.987 2.029 1.00 0.00 C ATOM 279 CD GLN A 18 18.242 -6.546 1.923 1.00 0.00 C ATOM 280 OE1 GLN A 18 18.861 -6.476 0.880 1.00 0.00 O ATOM 281 NE2 GLN A 18 18.790 -7.101 2.971 1.00 0.00 N ATOM 0 H GLN A 18 15.008 -5.481 0.337 1.00 0.00 H new ATOM 0 HA GLN A 18 15.067 -3.984 2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.147 -4.430 0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.522 -3.952 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.458 -6.080 3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.144 -6.562 1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.271 -7.160 3.847 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.737 -7.475 2.913 1.00 0.00 H new ATOM 290 N ASP A 19 15.348 -2.199 0.056 1.00 0.00 N ATOM 291 CA ASP A 19 15.327 -0.783 -0.405 1.00 0.00 C ATOM 292 C ASP A 19 14.123 -0.050 0.191 1.00 0.00 C ATOM 293 O ASP A 19 14.247 1.023 0.746 1.00 0.00 O ATOM 294 CB ASP A 19 15.203 -0.875 -1.924 1.00 0.00 C ATOM 295 CG ASP A 19 16.576 -1.159 -2.533 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.561 -0.778 -1.923 1.00 0.00 O ATOM 297 OD2 ASP A 19 16.619 -1.753 -3.598 1.00 0.00 O ATOM 0 H ASP A 19 15.324 -2.899 -0.685 1.00 0.00 H new ATOM 0 HA ASP A 19 16.214 -0.230 -0.097 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.503 -1.665 -2.195 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.802 0.057 -2.324 1.00 0.00 H new ATOM 302 N CYS A 20 12.960 -0.626 0.085 1.00 0.00 N ATOM 303 CA CYS A 20 11.748 0.030 0.649 1.00 0.00 C ATOM 304 C CYS A 20 11.902 0.204 2.160 1.00 0.00 C ATOM 305 O CYS A 20 11.537 1.219 2.720 1.00 0.00 O ATOM 306 CB CYS A 20 10.610 -0.925 0.316 1.00 0.00 C ATOM 307 SG CYS A 20 10.407 -0.977 -1.484 1.00 0.00 S ATOM 0 H CYS A 20 12.795 -1.525 -0.369 1.00 0.00 H new ATOM 0 HA CYS A 20 11.574 1.026 0.241 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.827 -1.921 0.701 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.687 -0.594 0.791 1.00 0.00 H new ATOM 0 HG CYS A 20 11.274 -1.799 -1.995 1.00 0.00 H new ATOM 313 N GLN A 21 12.459 -0.774 2.820 1.00 0.00 N ATOM 314 CA GLN A 21 12.655 -0.661 4.288 1.00 0.00 C ATOM 315 C GLN A 21 13.740 0.372 4.568 1.00 0.00 C ATOM 316 O GLN A 21 13.662 1.141 5.502 1.00 0.00 O ATOM 317 CB GLN A 21 13.116 -2.036 4.728 1.00 0.00 C ATOM 318 CG GLN A 21 12.051 -3.052 4.357 1.00 0.00 C ATOM 319 CD GLN A 21 12.430 -4.402 4.938 1.00 0.00 C ATOM 320 OE1 GLN A 21 13.593 -4.709 5.099 1.00 0.00 O ATOM 321 NE2 GLN A 21 11.485 -5.226 5.264 1.00 0.00 N ATOM 0 H GLN A 21 12.786 -1.646 2.404 1.00 0.00 H new ATOM 0 HA GLN A 21 11.752 -0.349 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 21 14.062 -2.288 4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.291 -2.049 5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.081 -2.737 4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.959 -3.121 3.273 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.509 -4.963 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.717 -6.138 5.658 1.00 0.00 H new ATOM 330 N ARG A 22 14.753 0.388 3.744 1.00 0.00 N ATOM 331 CA ARG A 22 15.853 1.368 3.930 1.00 0.00 C ATOM 332 C ARG A 22 15.273 2.781 3.900 1.00 0.00 C ATOM 333 O ARG A 22 15.467 3.564 4.807 1.00 0.00 O ATOM 334 CB ARG A 22 16.780 1.129 2.741 1.00 0.00 C ATOM 335 CG ARG A 22 17.685 -0.079 3.016 1.00 0.00 C ATOM 336 CD ARG A 22 18.538 -0.358 1.775 1.00 0.00 C ATOM 337 NE ARG A 22 19.392 -1.531 2.124 1.00 0.00 N ATOM 338 CZ ARG A 22 20.102 -2.124 1.195 1.00 0.00 C ATOM 339 NH1 ARG A 22 20.058 -1.691 -0.036 1.00 0.00 N ATOM 340 NH2 ARG A 22 20.858 -3.147 1.498 1.00 0.00 N ATOM 0 H ARG A 22 14.863 -0.240 2.948 1.00 0.00 H new ATOM 0 HA ARG A 22 16.380 1.257 4.878 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.192 0.956 1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.388 2.015 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.325 0.119 3.876 1.00 0.00 H new ATOM 0 HG3 ARG A 22 17.082 -0.953 3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.911 -0.574 0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 22 19.149 0.507 1.518 1.00 0.00 H new ATOM 0 HE ARG A 22 19.423 -1.871 3.085 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.471 -0.891 -0.275 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.610 -2.152 -0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 22 20.896 -3.486 2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.409 -3.606 0.773 1.00 0.00 H new ATOM 354 N ALA A 23 14.531 3.098 2.875 1.00 0.00 N ATOM 355 CA ALA A 23 13.903 4.443 2.807 1.00 0.00 C ATOM 356 C ALA A 23 12.839 4.528 3.909 1.00 0.00 C ATOM 357 O ALA A 23 12.831 5.444 4.708 1.00 0.00 O ATOM 358 CB ALA A 23 13.280 4.508 1.412 1.00 0.00 C ATOM 0 H ALA A 23 14.334 2.484 2.085 1.00 0.00 H new ATOM 0 HA ALA A 23 14.597 5.269 2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.792 5.473 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.059 4.386 0.660 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.544 3.711 1.305 1.00 0.00 H new ATOM 364 N LEU A 24 11.960 3.554 3.978 1.00 0.00 N ATOM 365 CA LEU A 24 10.924 3.546 5.050 1.00 0.00 C ATOM 366 C LEU A 24 11.504 2.905 6.311 1.00 0.00 C ATOM 367 O LEU A 24 11.008 1.909 6.801 1.00 0.00 O ATOM 368 CB LEU A 24 9.796 2.686 4.494 1.00 0.00 C ATOM 369 CG LEU A 24 9.286 3.320 3.211 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.173 2.466 2.613 1.00 0.00 C ATOM 371 CD2 LEU A 24 8.742 4.711 3.527 1.00 0.00 C ATOM 0 H LEU A 24 11.920 2.764 3.334 1.00 0.00 H new ATOM 0 HA LEU A 24 10.583 4.547 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.153 1.675 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.989 2.605 5.222 1.00 0.00 H new ATOM 0 HG LEU A 24 10.103 3.392 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.814 2.928 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.557 1.470 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.351 2.388 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.373 5.174 2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.927 4.628 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.537 5.325 3.950 1.00 0.00 H new ATOM 383 N SER A 25 12.559 3.463 6.829 1.00 0.00 N ATOM 384 CA SER A 25 13.193 2.888 8.052 1.00 0.00 C ATOM 385 C SER A 25 12.960 3.806 9.249 1.00 0.00 C ATOM 386 O SER A 25 13.337 3.497 10.361 1.00 0.00 O ATOM 387 CB SER A 25 14.682 2.810 7.721 1.00 0.00 C ATOM 388 OG SER A 25 15.210 4.127 7.621 1.00 0.00 O ATOM 0 H SER A 25 13.014 4.297 6.458 1.00 0.00 H new ATOM 0 HA SER A 25 12.779 1.914 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.210 2.252 8.494 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.831 2.274 6.784 1.00 0.00 H new ATOM 0 HG SER A 25 15.443 4.316 6.688 1.00 0.00 H new ATOM 394 N ALA A 26 12.335 4.931 9.018 1.00 0.00 N ATOM 395 CA ALA A 26 12.046 5.896 10.117 1.00 0.00 C ATOM 396 C ALA A 26 11.780 5.145 11.428 1.00 0.00 C ATOM 397 O ALA A 26 11.248 4.054 11.426 1.00 0.00 O ATOM 398 CB ALA A 26 10.789 6.628 9.640 1.00 0.00 C ATOM 0 H ALA A 26 12.008 5.225 8.098 1.00 0.00 H new ATOM 0 HA ALA A 26 12.873 6.577 10.318 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.493 7.366 10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.997 7.130 8.695 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.981 5.910 9.499 1.00 0.00 H new ATOM 404 N ASP A 27 12.158 5.707 12.544 1.00 0.00 N ATOM 405 CA ASP A 27 11.934 5.003 13.842 1.00 0.00 C ATOM 406 C ASP A 27 10.440 4.769 14.082 1.00 0.00 C ATOM 407 O ASP A 27 10.056 4.043 14.975 1.00 0.00 O ATOM 408 CB ASP A 27 12.508 5.933 14.912 1.00 0.00 C ATOM 409 CG ASP A 27 14.034 5.920 14.826 1.00 0.00 C ATOM 410 OD1 ASP A 27 14.591 4.843 14.699 1.00 0.00 O ATOM 411 OD2 ASP A 27 14.621 6.988 14.893 1.00 0.00 O ATOM 0 H ASP A 27 12.610 6.619 12.615 1.00 0.00 H new ATOM 0 HA ASP A 27 12.411 4.023 13.855 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.133 6.946 14.769 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.185 5.610 15.902 1.00 0.00 H new ATOM 416 N ARG A 28 9.594 5.379 13.301 1.00 0.00 N ATOM 417 CA ARG A 28 8.129 5.186 13.506 1.00 0.00 C ATOM 418 C ARG A 28 7.532 4.287 12.417 1.00 0.00 C ATOM 419 O ARG A 28 6.344 4.325 12.164 1.00 0.00 O ATOM 420 CB ARG A 28 7.533 6.592 13.420 1.00 0.00 C ATOM 421 CG ARG A 28 7.672 7.110 11.988 1.00 0.00 C ATOM 422 CD ARG A 28 7.160 8.551 11.907 1.00 0.00 C ATOM 423 NE ARG A 28 7.151 8.865 10.451 1.00 0.00 N ATOM 424 CZ ARG A 28 8.249 9.233 9.843 1.00 0.00 C ATOM 425 NH1 ARG A 28 9.365 9.364 10.514 1.00 0.00 N ATOM 426 NH2 ARG A 28 8.233 9.468 8.562 1.00 0.00 N ATOM 0 H ARG A 28 9.850 6.000 12.533 1.00 0.00 H new ATOM 0 HA ARG A 28 7.915 4.699 14.458 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.483 6.573 13.712 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.045 7.260 14.112 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.715 7.067 11.675 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.108 6.475 11.305 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.163 8.642 12.338 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.809 9.234 12.456 1.00 0.00 H new ATOM 0 HE ARG A 28 6.281 8.792 9.924 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.382 9.179 11.517 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.218 9.651 10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.366 9.365 8.035 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.088 9.755 8.085 1.00 0.00 H new ATOM 440 N TYR A 29 8.331 3.486 11.760 1.00 0.00 N ATOM 441 CA TYR A 29 7.764 2.615 10.686 1.00 0.00 C ATOM 442 C TYR A 29 7.637 1.158 11.130 1.00 0.00 C ATOM 443 O TYR A 29 8.576 0.553 11.607 1.00 0.00 O ATOM 444 CB TYR A 29 8.741 2.714 9.517 1.00 0.00 C ATOM 445 CG TYR A 29 8.310 3.835 8.612 1.00 0.00 C ATOM 446 CD1 TYR A 29 6.962 3.978 8.275 1.00 0.00 C ATOM 447 CD2 TYR A 29 9.253 4.739 8.123 1.00 0.00 C ATOM 448 CE1 TYR A 29 6.555 5.025 7.451 1.00 0.00 C ATOM 449 CE2 TYR A 29 8.852 5.788 7.295 1.00 0.00 C ATOM 450 CZ TYR A 29 7.498 5.935 6.958 1.00 0.00 C ATOM 451 OH TYR A 29 7.095 6.971 6.141 1.00 0.00 O ATOM 0 H TYR A 29 9.335 3.397 11.916 1.00 0.00 H new ATOM 0 HA TYR A 29 6.758 2.943 10.424 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.751 2.894 9.885 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.765 1.774 8.966 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.234 3.276 8.654 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.295 4.627 8.386 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.512 5.135 7.193 1.00 0.00 H new ATOM 0 HE2 TYR A 29 9.583 6.486 6.914 1.00 0.00 H new ATOM 0 HH TYR A 29 7.811 7.637 6.081 1.00 0.00 H new ATOM 461 N GLN A 30 6.485 0.587 10.924 1.00 0.00 N ATOM 462 CA GLN A 30 6.277 -0.848 11.273 1.00 0.00 C ATOM 463 C GLN A 30 6.119 -1.630 9.970 1.00 0.00 C ATOM 464 O GLN A 30 5.030 -1.803 9.464 1.00 0.00 O ATOM 465 CB GLN A 30 4.988 -0.895 12.094 1.00 0.00 C ATOM 466 CG GLN A 30 4.688 -2.344 12.483 1.00 0.00 C ATOM 467 CD GLN A 30 3.240 -2.459 12.963 1.00 0.00 C ATOM 468 OE1 GLN A 30 2.665 -1.497 13.433 1.00 0.00 O ATOM 469 NE2 GLN A 30 2.620 -3.604 12.861 1.00 0.00 N ATOM 0 H GLN A 30 5.671 1.055 10.526 1.00 0.00 H new ATOM 0 HA GLN A 30 7.105 -1.278 11.837 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.090 -0.280 12.988 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.160 -0.483 11.517 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.852 -3.001 11.629 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.369 -2.668 13.270 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.102 -4.412 12.467 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.654 -3.690 13.176 1.00 0.00 H new ATOM 478 N LEU A 31 7.208 -2.060 9.401 1.00 0.00 N ATOM 479 CA LEU A 31 7.143 -2.780 8.099 1.00 0.00 C ATOM 480 C LEU A 31 6.768 -4.256 8.263 1.00 0.00 C ATOM 481 O LEU A 31 7.101 -4.901 9.238 1.00 0.00 O ATOM 482 CB LEU A 31 8.560 -2.669 7.541 1.00 0.00 C ATOM 483 CG LEU A 31 9.038 -1.221 7.630 1.00 0.00 C ATOM 484 CD1 LEU A 31 10.301 -1.054 6.786 1.00 0.00 C ATOM 485 CD2 LEU A 31 7.945 -0.284 7.106 1.00 0.00 C ATOM 0 H LEU A 31 8.146 -1.943 9.783 1.00 0.00 H new ATOM 0 HA LEU A 31 6.378 -2.351 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.233 -3.319 8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.580 -3.005 6.504 1.00 0.00 H new ATOM 0 HG LEU A 31 9.256 -0.973 8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.645 -0.022 6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.079 -1.719 7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.080 -1.302 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.289 0.748 7.171 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.724 -0.528 6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.044 -0.404 7.707 1.00 0.00 H new ATOM 497 N GLN A 32 6.109 -4.791 7.272 1.00 0.00 N ATOM 498 CA GLN A 32 5.725 -6.230 7.280 1.00 0.00 C ATOM 499 C GLN A 32 6.007 -6.785 5.884 1.00 0.00 C ATOM 500 O GLN A 32 5.421 -6.357 4.911 1.00 0.00 O ATOM 501 CB GLN A 32 4.227 -6.263 7.587 1.00 0.00 C ATOM 502 CG GLN A 32 3.768 -7.719 7.710 1.00 0.00 C ATOM 503 CD GLN A 32 4.447 -8.363 8.921 1.00 0.00 C ATOM 504 OE1 GLN A 32 4.169 -8.007 10.048 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.331 -9.304 8.733 1.00 0.00 N ATOM 0 H GLN A 32 5.815 -4.280 6.440 1.00 0.00 H new ATOM 0 HA GLN A 32 6.273 -6.823 8.012 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.022 -5.725 8.513 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.671 -5.760 6.796 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.684 -7.763 7.820 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.018 -8.269 6.803 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.564 -9.603 7.786 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.789 -9.741 9.533 1.00 0.00 H new ATOM 514 N VAL A 33 6.922 -7.702 5.761 1.00 0.00 N ATOM 515 CA VAL A 33 7.248 -8.220 4.403 1.00 0.00 C ATOM 516 C VAL A 33 6.432 -9.464 4.064 1.00 0.00 C ATOM 517 O VAL A 33 6.330 -10.392 4.841 1.00 0.00 O ATOM 518 CB VAL A 33 8.738 -8.551 4.452 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.196 -9.049 3.077 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.518 -7.286 4.821 1.00 0.00 C ATOM 0 H VAL A 33 7.453 -8.112 6.529 1.00 0.00 H new ATOM 0 HA VAL A 33 7.010 -7.488 3.631 1.00 0.00 H new ATOM 0 HB VAL A 33 8.919 -9.327 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.260 -9.285 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.634 -9.943 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.021 -8.273 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.583 -7.513 4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.337 -6.516 4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.189 -6.927 5.796 1.00 0.00 H new ATOM 530 N CYS A 34 5.868 -9.487 2.891 1.00 0.00 N ATOM 531 CA CYS A 34 5.070 -10.666 2.460 1.00 0.00 C ATOM 532 C CYS A 34 5.842 -11.433 1.386 1.00 0.00 C ATOM 533 O CYS A 34 6.142 -10.910 0.331 1.00 0.00 O ATOM 534 CB CYS A 34 3.779 -10.086 1.883 1.00 0.00 C ATOM 535 SG CYS A 34 2.832 -9.287 3.202 1.00 0.00 S ATOM 0 H CYS A 34 5.926 -8.733 2.206 1.00 0.00 H new ATOM 0 HA CYS A 34 4.867 -11.359 3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.011 -9.365 1.099 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.186 -10.877 1.423 1.00 0.00 H new ATOM 0 HG CYS A 34 2.771 -8.008 2.979 1.00 0.00 H new ATOM 541 N GLU A 35 6.169 -12.666 1.644 1.00 0.00 N ATOM 542 CA GLU A 35 6.930 -13.459 0.639 1.00 0.00 C ATOM 543 C GLU A 35 6.104 -13.644 -0.633 1.00 0.00 C ATOM 544 O GLU A 35 6.638 -13.770 -1.716 1.00 0.00 O ATOM 545 CB GLU A 35 7.199 -14.798 1.316 1.00 0.00 C ATOM 546 CG GLU A 35 8.051 -14.563 2.566 1.00 0.00 C ATOM 547 CD GLU A 35 8.319 -15.895 3.267 1.00 0.00 C ATOM 548 OE1 GLU A 35 8.353 -16.907 2.586 1.00 0.00 O ATOM 549 OE2 GLU A 35 8.488 -15.880 4.475 1.00 0.00 O ATOM 0 H GLU A 35 5.943 -13.160 2.507 1.00 0.00 H new ATOM 0 HA GLU A 35 7.854 -12.966 0.337 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.259 -15.279 1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.715 -15.470 0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.994 -14.090 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.538 -13.881 3.244 1.00 0.00 H new ATOM 556 N SER A 36 4.805 -13.663 -0.519 1.00 0.00 N ATOM 557 CA SER A 36 3.967 -13.842 -1.738 1.00 0.00 C ATOM 558 C SER A 36 2.967 -12.695 -1.869 1.00 0.00 C ATOM 559 O SER A 36 3.058 -11.696 -1.182 1.00 0.00 O ATOM 560 CB SER A 36 3.249 -15.174 -1.544 1.00 0.00 C ATOM 561 OG SER A 36 2.695 -15.589 -2.786 1.00 0.00 O ATOM 0 H SER A 36 4.291 -13.563 0.356 1.00 0.00 H new ATOM 0 HA SER A 36 4.564 -13.840 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.945 -15.926 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.462 -15.072 -0.797 1.00 0.00 H new ATOM 0 HG SER A 36 2.234 -16.446 -2.668 1.00 0.00 H new ATOM 567 N GLY A 37 2.002 -12.836 -2.733 1.00 0.00 N ATOM 568 CA GLY A 37 0.990 -11.764 -2.897 1.00 0.00 C ATOM 569 C GLY A 37 -0.236 -12.178 -2.108 1.00 0.00 C ATOM 570 O GLY A 37 -1.020 -11.363 -1.667 1.00 0.00 O ATOM 0 H GLY A 37 1.873 -13.651 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.377 -10.812 -2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.742 -11.627 -3.950 1.00 0.00 H new ATOM 574 N GLU A 38 -0.385 -13.452 -1.906 1.00 0.00 N ATOM 575 CA GLU A 38 -1.529 -13.952 -1.124 1.00 0.00 C ATOM 576 C GLU A 38 -1.266 -13.674 0.353 1.00 0.00 C ATOM 577 O GLU A 38 -2.173 -13.439 1.128 1.00 0.00 O ATOM 578 CB GLU A 38 -1.567 -15.444 -1.433 1.00 0.00 C ATOM 579 CG GLU A 38 -2.469 -15.686 -2.648 1.00 0.00 C ATOM 580 CD GLU A 38 -3.911 -15.915 -2.187 1.00 0.00 C ATOM 581 OE1 GLU A 38 -4.234 -15.501 -1.088 1.00 0.00 O ATOM 582 OE2 GLU A 38 -4.670 -16.492 -2.947 1.00 0.00 O ATOM 0 H GLU A 38 0.247 -14.172 -2.255 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.482 -13.481 -1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.561 -15.811 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.942 -15.996 -0.571 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.425 -14.830 -3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.115 -16.551 -3.208 1.00 0.00 H new ATOM 589 N MET A 39 -0.019 -13.670 0.736 1.00 0.00 N ATOM 590 CA MET A 39 0.323 -13.374 2.151 1.00 0.00 C ATOM 591 C MET A 39 -0.075 -11.935 2.474 1.00 0.00 C ATOM 592 O MET A 39 -0.578 -11.638 3.539 1.00 0.00 O ATOM 593 CB MET A 39 1.840 -13.542 2.230 1.00 0.00 C ATOM 594 CG MET A 39 2.193 -15.011 2.028 1.00 0.00 C ATOM 595 SD MET A 39 3.918 -15.281 2.486 1.00 0.00 S ATOM 596 CE MET A 39 3.971 -17.044 2.090 1.00 0.00 C ATOM 0 H MET A 39 0.777 -13.860 0.127 1.00 0.00 H new ATOM 0 HA MET A 39 -0.192 -14.024 2.859 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.326 -12.931 1.469 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.206 -13.197 3.197 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.541 -15.640 2.635 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.032 -15.295 0.988 1.00 0.00 H new ATOM 0 HE1 MET A 39 4.967 -17.434 2.300 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.238 -17.575 2.697 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.740 -17.187 1.034 1.00 0.00 H new ATOM 606 N LEU A 40 0.142 -11.044 1.548 1.00 0.00 N ATOM 607 CA LEU A 40 -0.229 -9.623 1.778 1.00 0.00 C ATOM 608 C LEU A 40 -1.732 -9.518 2.034 1.00 0.00 C ATOM 609 O LEU A 40 -2.182 -8.755 2.864 1.00 0.00 O ATOM 610 CB LEU A 40 0.167 -8.900 0.484 1.00 0.00 C ATOM 611 CG LEU A 40 -0.670 -7.628 0.313 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.623 -6.796 1.598 1.00 0.00 C ATOM 613 CD2 LEU A 40 -0.109 -6.802 -0.846 1.00 0.00 C ATOM 0 H LEU A 40 0.562 -11.241 0.639 1.00 0.00 H new ATOM 0 HA LEU A 40 0.268 -9.189 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.227 -8.646 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.018 -9.560 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.703 -7.905 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.220 -5.893 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.024 -7.381 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.409 -6.520 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.704 -5.897 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.925 -6.531 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.148 -7.389 -1.764 1.00 0.00 H new ATOM 625 N LEU A 41 -2.512 -10.285 1.325 1.00 0.00 N ATOM 626 CA LEU A 41 -3.983 -10.234 1.532 1.00 0.00 C ATOM 627 C LEU A 41 -4.330 -10.694 2.955 1.00 0.00 C ATOM 628 O LEU A 41 -5.159 -10.108 3.623 1.00 0.00 O ATOM 629 CB LEU A 41 -4.552 -11.208 0.499 1.00 0.00 C ATOM 630 CG LEU A 41 -4.119 -10.782 -0.906 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.622 -11.806 -1.924 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.709 -9.410 -1.230 1.00 0.00 C ATOM 0 H LEU A 41 -2.194 -10.943 0.613 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.388 -9.229 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.202 -12.219 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.640 -11.228 0.564 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.031 -10.727 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.315 -11.505 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.201 -12.785 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.710 -11.860 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.400 -9.108 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.797 -9.462 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.352 -8.680 -0.504 1.00 0.00 H new ATOM 644 N GLU A 42 -3.698 -11.745 3.416 1.00 0.00 N ATOM 645 CA GLU A 42 -3.983 -12.259 4.793 1.00 0.00 C ATOM 646 C GLU A 42 -3.656 -11.189 5.838 1.00 0.00 C ATOM 647 O GLU A 42 -4.349 -11.040 6.826 1.00 0.00 O ATOM 648 CB GLU A 42 -3.064 -13.480 4.966 1.00 0.00 C ATOM 649 CG GLU A 42 -3.606 -14.388 6.078 1.00 0.00 C ATOM 650 CD GLU A 42 -2.765 -15.668 6.168 1.00 0.00 C ATOM 651 OE1 GLU A 42 -2.279 -16.111 5.139 1.00 0.00 O ATOM 652 OE2 GLU A 42 -2.626 -16.185 7.265 1.00 0.00 O ATOM 0 H GLU A 42 -2.995 -12.271 2.897 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.033 -12.519 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.001 -14.035 4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.053 -13.154 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.584 -13.861 7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.647 -14.641 5.877 1.00 0.00 H new ATOM 659 N TYR A 43 -2.600 -10.451 5.634 1.00 0.00 N ATOM 660 CA TYR A 43 -2.223 -9.398 6.618 1.00 0.00 C ATOM 661 C TYR A 43 -3.181 -8.203 6.535 1.00 0.00 C ATOM 662 O TYR A 43 -3.480 -7.565 7.524 1.00 0.00 O ATOM 663 CB TYR A 43 -0.808 -8.981 6.217 1.00 0.00 C ATOM 664 CG TYR A 43 -0.457 -7.690 6.910 1.00 0.00 C ATOM 665 CD1 TYR A 43 0.107 -7.710 8.190 1.00 0.00 C ATOM 666 CD2 TYR A 43 -0.705 -6.468 6.274 1.00 0.00 C ATOM 667 CE1 TYR A 43 0.429 -6.510 8.832 1.00 0.00 C ATOM 668 CE2 TYR A 43 -0.382 -5.269 6.915 1.00 0.00 C ATOM 669 CZ TYR A 43 0.182 -5.287 8.197 1.00 0.00 C ATOM 670 OH TYR A 43 0.501 -4.104 8.829 1.00 0.00 O ATOM 0 H TYR A 43 -1.981 -10.532 4.827 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.273 -9.761 7.645 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.096 -9.759 6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.745 -8.856 5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.294 -8.653 8.683 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.146 -6.452 5.288 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.869 -6.527 9.818 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.568 -4.327 6.421 1.00 0.00 H new ATOM 0 HH TYR A 43 0.698 -3.417 8.158 1.00 0.00 H new ATOM 680 N ALA A 44 -3.653 -7.888 5.361 1.00 0.00 N ATOM 681 CA ALA A 44 -4.580 -6.728 5.218 1.00 0.00 C ATOM 682 C ALA A 44 -6.033 -7.188 5.363 1.00 0.00 C ATOM 683 O ALA A 44 -6.911 -6.414 5.688 1.00 0.00 O ATOM 684 CB ALA A 44 -4.323 -6.193 3.810 1.00 0.00 C ATOM 0 H ALA A 44 -3.438 -8.382 4.495 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.413 -5.968 5.981 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.968 -5.334 3.624 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.280 -5.889 3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.537 -6.973 3.080 1.00 0.00 H new ATOM 690 N GLN A 45 -6.288 -8.443 5.125 1.00 0.00 N ATOM 691 CA GLN A 45 -7.678 -8.958 5.252 1.00 0.00 C ATOM 692 C GLN A 45 -8.138 -8.886 6.702 1.00 0.00 C ATOM 693 O GLN A 45 -9.294 -9.104 7.008 1.00 0.00 O ATOM 694 CB GLN A 45 -7.596 -10.413 4.805 1.00 0.00 C ATOM 695 CG GLN A 45 -7.834 -10.494 3.305 1.00 0.00 C ATOM 696 CD GLN A 45 -7.498 -11.902 2.814 1.00 0.00 C ATOM 697 OE1 GLN A 45 -7.353 -12.812 3.603 1.00 0.00 O ATOM 698 NE2 GLN A 45 -7.363 -12.120 1.535 1.00 0.00 N ATOM 0 H GLN A 45 -5.592 -9.136 4.847 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.386 -8.379 4.660 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.618 -10.826 5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.338 -11.010 5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.873 -10.255 3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.217 -9.759 2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.485 -11.355 0.872 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.136 -13.056 1.198 1.00 0.00 H new ATOM 707 N THR A 46 -7.242 -8.607 7.601 1.00 0.00 N ATOM 708 CA THR A 46 -7.636 -8.557 9.033 1.00 0.00 C ATOM 709 C THR A 46 -7.098 -7.282 9.693 1.00 0.00 C ATOM 710 O THR A 46 -7.014 -7.190 10.901 1.00 0.00 O ATOM 711 CB THR A 46 -6.998 -9.809 9.656 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.654 -9.525 10.021 1.00 0.00 O ATOM 713 CG2 THR A 46 -7.021 -10.969 8.644 1.00 0.00 C ATOM 0 H THR A 46 -6.259 -8.412 7.409 1.00 0.00 H new ATOM 0 HA THR A 46 -8.718 -8.540 9.167 1.00 0.00 H new ATOM 0 HB THR A 46 -7.565 -10.096 10.542 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.248 -10.323 10.420 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.567 -11.853 9.093 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.052 -11.191 8.368 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.460 -10.686 7.753 1.00 0.00 H new ATOM 721 N HIS A 47 -6.732 -6.296 8.913 1.00 0.00 N ATOM 722 CA HIS A 47 -6.197 -5.036 9.516 1.00 0.00 C ATOM 723 C HIS A 47 -6.289 -3.868 8.523 1.00 0.00 C ATOM 724 O HIS A 47 -5.504 -2.945 8.574 1.00 0.00 O ATOM 725 CB HIS A 47 -4.732 -5.350 9.824 1.00 0.00 C ATOM 726 CG HIS A 47 -4.626 -5.993 11.178 1.00 0.00 C ATOM 727 ND1 HIS A 47 -3.743 -7.028 11.437 1.00 0.00 N ATOM 728 CD2 HIS A 47 -5.291 -5.763 12.357 1.00 0.00 C ATOM 729 CE1 HIS A 47 -3.897 -7.380 12.726 1.00 0.00 C ATOM 730 NE2 HIS A 47 -4.828 -6.638 13.334 1.00 0.00 N ATOM 0 H HIS A 47 -6.779 -6.307 7.894 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.760 -4.737 10.400 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.325 -6.015 9.062 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.141 -4.435 9.798 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.057 -5.016 12.504 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.337 -8.166 13.211 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.133 -6.700 14.305 1.00 0.00 H new ATOM 738 N ARG A 48 -7.226 -3.905 7.617 1.00 0.00 N ATOM 739 CA ARG A 48 -7.329 -2.792 6.608 1.00 0.00 C ATOM 740 C ARG A 48 -7.187 -1.438 7.306 1.00 0.00 C ATOM 741 O ARG A 48 -6.351 -0.623 6.961 1.00 0.00 O ATOM 742 CB ARG A 48 -8.731 -2.867 5.971 1.00 0.00 C ATOM 743 CG ARG A 48 -9.282 -4.294 5.972 1.00 0.00 C ATOM 744 CD ARG A 48 -10.522 -4.356 5.075 1.00 0.00 C ATOM 745 NE ARG A 48 -11.010 -5.762 5.153 1.00 0.00 N ATOM 746 CZ ARG A 48 -12.245 -6.037 4.825 1.00 0.00 C ATOM 747 NH1 ARG A 48 -13.013 -5.101 4.334 1.00 0.00 N ATOM 748 NH2 ARG A 48 -12.711 -7.248 4.964 1.00 0.00 N ATOM 0 H ARG A 48 -7.922 -4.645 7.524 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.543 -2.894 5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.413 -2.214 6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.685 -2.496 4.947 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.524 -4.990 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.537 -4.597 6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.286 -3.657 5.416 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.276 -4.084 4.049 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.384 -6.506 5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.649 -4.157 4.207 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.977 -5.314 4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.111 -7.987 5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -13.676 -7.456 4.706 1.00 0.00 H new ATOM 762 N ASP A 49 -8.012 -1.199 8.279 1.00 0.00 N ATOM 763 CA ASP A 49 -7.963 0.102 9.014 1.00 0.00 C ATOM 764 C ASP A 49 -6.702 0.191 9.885 1.00 0.00 C ATOM 765 O ASP A 49 -6.452 1.196 10.522 1.00 0.00 O ATOM 766 CB ASP A 49 -9.224 0.106 9.877 1.00 0.00 C ATOM 767 CG ASP A 49 -10.451 0.113 8.965 1.00 0.00 C ATOM 768 OD1 ASP A 49 -10.273 0.275 7.769 1.00 0.00 O ATOM 769 OD2 ASP A 49 -11.547 -0.046 9.476 1.00 0.00 O ATOM 0 H ASP A 49 -8.726 -1.850 8.604 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.924 0.956 8.338 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.240 -0.771 10.524 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.233 0.981 10.527 1.00 0.00 H new ATOM 774 N GLN A 50 -5.904 -0.844 9.917 1.00 0.00 N ATOM 775 CA GLN A 50 -4.662 -0.802 10.747 1.00 0.00 C ATOM 776 C GLN A 50 -3.423 -0.676 9.851 1.00 0.00 C ATOM 777 O GLN A 50 -2.316 -0.537 10.331 1.00 0.00 O ATOM 778 CB GLN A 50 -4.634 -2.128 11.505 1.00 0.00 C ATOM 779 CG GLN A 50 -5.893 -2.270 12.365 1.00 0.00 C ATOM 780 CD GLN A 50 -5.962 -1.139 13.391 1.00 0.00 C ATOM 781 OE1 GLN A 50 -4.948 -0.677 13.878 1.00 0.00 O ATOM 782 NE2 GLN A 50 -7.128 -0.674 13.747 1.00 0.00 N ATOM 0 H GLN A 50 -6.057 -1.714 9.407 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.657 0.053 11.423 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.570 -2.957 10.800 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.746 -2.177 12.136 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.779 -2.250 11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.887 -3.233 12.875 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.978 -1.062 13.338 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.189 0.077 14.434 1.00 0.00 H new ATOM 791 N ILE A 51 -3.594 -0.712 8.556 1.00 0.00 N ATOM 792 CA ILE A 51 -2.411 -0.576 7.655 1.00 0.00 C ATOM 793 C ILE A 51 -2.229 0.895 7.300 1.00 0.00 C ATOM 794 O ILE A 51 -3.124 1.525 6.772 1.00 0.00 O ATOM 795 CB ILE A 51 -2.743 -1.381 6.394 1.00 0.00 C ATOM 796 CG1 ILE A 51 -3.182 -2.805 6.766 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.505 -1.445 5.498 1.00 0.00 C ATOM 798 CD1 ILE A 51 -2.444 -3.281 8.022 1.00 0.00 C ATOM 0 H ILE A 51 -4.492 -0.828 8.086 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.494 -0.936 8.121 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.560 -0.891 5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.258 -2.827 6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.978 -3.483 5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.736 -2.017 4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.205 -0.435 5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.690 -1.929 6.037 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.766 -4.292 8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.370 -3.278 7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.670 -2.612 8.852 1.00 0.00 H new ATOM 810 N ASP A 52 -1.095 1.461 7.589 1.00 0.00 N ATOM 811 CA ASP A 52 -0.911 2.895 7.260 1.00 0.00 C ATOM 812 C ASP A 52 -0.532 3.061 5.789 1.00 0.00 C ATOM 813 O ASP A 52 -1.038 3.928 5.115 1.00 0.00 O ATOM 814 CB ASP A 52 0.215 3.377 8.171 1.00 0.00 C ATOM 815 CG ASP A 52 -0.358 3.765 9.536 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.119 4.719 9.589 1.00 0.00 O ATOM 817 OD2 ASP A 52 -0.028 3.103 10.507 1.00 0.00 O ATOM 0 H ASP A 52 -0.300 1.001 8.032 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.824 3.470 7.413 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.962 2.592 8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.719 4.232 7.721 1.00 0.00 H new ATOM 822 N CYS A 53 0.359 2.245 5.288 1.00 0.00 N ATOM 823 CA CYS A 53 0.771 2.376 3.860 1.00 0.00 C ATOM 824 C CYS A 53 1.142 1.011 3.276 1.00 0.00 C ATOM 825 O CYS A 53 1.734 0.191 3.940 1.00 0.00 O ATOM 826 CB CYS A 53 2.008 3.272 3.913 1.00 0.00 C ATOM 827 SG CYS A 53 2.443 3.815 2.241 1.00 0.00 S ATOM 0 H CYS A 53 0.818 1.495 5.805 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.025 2.780 3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.815 4.137 4.548 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.842 2.730 4.358 1.00 0.00 H new ATOM 0 HG CYS A 53 1.361 3.953 1.534 1.00 0.00 H new ATOM 833 N LEU A 54 0.817 0.749 2.040 1.00 0.00 N ATOM 834 CA LEU A 54 1.197 -0.578 1.468 1.00 0.00 C ATOM 835 C LEU A 54 2.238 -0.396 0.361 1.00 0.00 C ATOM 836 O LEU A 54 2.141 0.506 -0.447 1.00 0.00 O ATOM 837 CB LEU A 54 -0.089 -1.167 0.893 1.00 0.00 C ATOM 838 CG LEU A 54 0.209 -2.546 0.297 1.00 0.00 C ATOM 839 CD1 LEU A 54 -0.167 -3.638 1.303 1.00 0.00 C ATOM 840 CD2 LEU A 54 -0.600 -2.734 -0.986 1.00 0.00 C ATOM 0 H LEU A 54 0.317 1.378 1.412 1.00 0.00 H new ATOM 0 HA LEU A 54 1.635 -1.232 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.845 -1.251 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.494 -0.507 0.126 1.00 0.00 H new ATOM 0 HG LEU A 54 1.273 -2.617 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.047 -4.617 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.414 -3.507 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.230 -3.568 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.387 -3.716 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.664 -2.659 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.327 -1.962 -1.705 1.00 0.00 H new ATOM 852 N ILE A 55 3.220 -1.257 0.291 1.00 0.00 N ATOM 853 CA ILE A 55 4.225 -1.119 -0.801 1.00 0.00 C ATOM 854 C ILE A 55 3.995 -2.224 -1.813 1.00 0.00 C ATOM 855 O ILE A 55 3.749 -3.362 -1.459 1.00 0.00 O ATOM 856 CB ILE A 55 5.606 -1.285 -0.177 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.845 -0.217 0.879 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.671 -1.147 -1.269 1.00 0.00 C ATOM 859 CD1 ILE A 55 7.074 -0.626 1.684 1.00 0.00 C ATOM 0 H ILE A 55 3.368 -2.037 0.932 1.00 0.00 H new ATOM 0 HA ILE A 55 4.142 -0.151 -1.295 1.00 0.00 H new ATOM 0 HB ILE A 55 5.664 -2.268 0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.001 0.755 0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.976 -0.122 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.661 -1.265 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.517 -1.915 -2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.594 -0.162 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.272 0.122 2.452 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.895 -1.592 2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.935 -0.701 1.020 1.00 0.00 H new ATOM 871 N LEU A 56 4.064 -1.912 -3.065 1.00 0.00 N ATOM 872 CA LEU A 56 3.838 -2.968 -4.074 1.00 0.00 C ATOM 873 C LEU A 56 4.858 -2.878 -5.190 1.00 0.00 C ATOM 874 O LEU A 56 5.429 -1.840 -5.459 1.00 0.00 O ATOM 875 CB LEU A 56 2.442 -2.704 -4.627 1.00 0.00 C ATOM 876 CG LEU A 56 1.401 -3.023 -3.557 1.00 0.00 C ATOM 877 CD1 LEU A 56 0.014 -2.662 -4.084 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.451 -4.518 -3.231 1.00 0.00 C ATOM 0 H LEU A 56 4.265 -0.982 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 56 3.932 -3.962 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.353 -1.663 -4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.268 -3.316 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 56 1.611 -2.448 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.734 -2.888 -3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.020 -1.599 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.196 -3.242 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.709 -4.749 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.237 -5.094 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.444 -4.777 -2.862 1.00 0.00 H new ATOM 890 N VAL A 57 5.065 -3.964 -5.853 1.00 0.00 N ATOM 891 CA VAL A 57 6.017 -3.980 -6.980 1.00 0.00 C ATOM 892 C VAL A 57 5.252 -4.383 -8.243 1.00 0.00 C ATOM 893 O VAL A 57 4.497 -5.336 -8.239 1.00 0.00 O ATOM 894 CB VAL A 57 7.058 -5.027 -6.594 1.00 0.00 C ATOM 895 CG1 VAL A 57 8.138 -5.090 -7.673 1.00 0.00 C ATOM 896 CG2 VAL A 57 7.696 -4.639 -5.257 1.00 0.00 C ATOM 0 H VAL A 57 4.609 -4.856 -5.661 1.00 0.00 H new ATOM 0 HA VAL A 57 6.491 -3.018 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 57 6.579 -6.002 -6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.883 -5.837 -7.399 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.685 -5.362 -8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.618 -4.116 -7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.440 -5.385 -4.979 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.177 -3.665 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.926 -4.590 -4.487 1.00 0.00 H new ATOM 906 N ALA A 58 5.409 -3.659 -9.312 1.00 0.00 N ATOM 907 CA ALA A 58 4.660 -4.006 -10.552 1.00 0.00 C ATOM 908 C ALA A 58 5.487 -4.937 -11.436 1.00 0.00 C ATOM 909 O ALA A 58 5.124 -5.235 -12.556 1.00 0.00 O ATOM 910 CB ALA A 58 4.420 -2.671 -11.241 1.00 0.00 C ATOM 0 H ALA A 58 6.020 -2.845 -9.383 1.00 0.00 H new ATOM 0 HA ALA A 58 3.729 -4.532 -10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.871 -2.834 -12.168 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.840 -2.022 -10.585 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.377 -2.199 -11.464 1.00 0.00 H new ATOM 916 N ALA A 59 6.591 -5.399 -10.932 1.00 0.00 N ATOM 917 CA ALA A 59 7.454 -6.316 -11.720 1.00 0.00 C ATOM 918 C ALA A 59 6.923 -7.748 -11.626 1.00 0.00 C ATOM 919 O ALA A 59 7.243 -8.597 -12.436 1.00 0.00 O ATOM 920 CB ALA A 59 8.818 -6.204 -11.050 1.00 0.00 C ATOM 0 H ALA A 59 6.937 -5.179 -9.998 1.00 0.00 H new ATOM 0 HA ALA A 59 7.488 -6.064 -12.780 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.530 -6.850 -11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.164 -5.171 -11.099 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.737 -6.511 -10.007 1.00 0.00 H new ATOM 926 N ASN A 60 6.109 -8.023 -10.641 1.00 0.00 N ATOM 927 CA ASN A 60 5.552 -9.399 -10.493 1.00 0.00 C ATOM 928 C ASN A 60 4.504 -9.676 -11.573 1.00 0.00 C ATOM 929 O ASN A 60 3.978 -8.766 -12.180 1.00 0.00 O ATOM 930 CB ASN A 60 4.931 -9.421 -9.096 1.00 0.00 C ATOM 931 CG ASN A 60 5.965 -9.945 -8.096 1.00 0.00 C ATOM 932 OD1 ASN A 60 7.090 -10.230 -8.463 1.00 0.00 O ATOM 933 ND2 ASN A 60 5.633 -10.089 -6.842 1.00 0.00 N ATOM 0 H ASN A 60 5.806 -7.354 -9.933 1.00 0.00 H new ATOM 0 HA ASN A 60 6.313 -10.170 -10.608 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.608 -8.419 -8.812 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.045 -10.056 -9.088 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.316 -10.440 -6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.691 -9.850 -6.533 1.00 0.00 H new ATOM 940 N PRO A 61 4.248 -10.941 -11.782 1.00 0.00 N ATOM 941 CA PRO A 61 3.262 -11.368 -12.811 1.00 0.00 C ATOM 942 C PRO A 61 1.833 -11.029 -12.386 1.00 0.00 C ATOM 943 O PRO A 61 1.299 -10.000 -12.743 1.00 0.00 O ATOM 944 CB PRO A 61 3.459 -12.879 -12.889 1.00 0.00 C ATOM 945 CG PRO A 61 4.036 -13.263 -11.563 1.00 0.00 C ATOM 946 CD PRO A 61 4.843 -12.084 -11.081 1.00 0.00 C ATOM 0 HA PRO A 61 3.411 -10.867 -13.767 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.514 -13.391 -13.072 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.130 -13.148 -13.704 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.245 -13.506 -10.853 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.664 -14.149 -11.657 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.776 -11.969 -9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.900 -12.196 -11.324 1.00 0.00 H new ATOM 954 N SER A 62 1.203 -11.887 -11.631 1.00 0.00 N ATOM 955 CA SER A 62 -0.199 -11.608 -11.197 1.00 0.00 C ATOM 956 C SER A 62 -0.225 -10.654 -9.997 1.00 0.00 C ATOM 957 O SER A 62 -1.057 -10.773 -9.121 1.00 0.00 O ATOM 958 CB SER A 62 -0.781 -12.966 -10.806 1.00 0.00 C ATOM 959 OG SER A 62 -0.019 -13.520 -9.744 1.00 0.00 O ATOM 0 H SER A 62 1.595 -12.767 -11.296 1.00 0.00 H new ATOM 0 HA SER A 62 -0.772 -11.128 -11.990 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.821 -12.853 -10.501 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.771 -13.638 -11.664 1.00 0.00 H new ATOM 0 HG SER A 62 -0.393 -14.390 -9.492 1.00 0.00 H new ATOM 965 N PHE A 63 0.665 -9.700 -9.953 1.00 0.00 N ATOM 966 CA PHE A 63 0.668 -8.738 -8.815 1.00 0.00 C ATOM 967 C PHE A 63 -0.608 -7.889 -8.851 1.00 0.00 C ATOM 968 O PHE A 63 -1.268 -7.697 -7.847 1.00 0.00 O ATOM 969 CB PHE A 63 1.926 -7.882 -9.032 1.00 0.00 C ATOM 970 CG PHE A 63 1.705 -6.471 -8.530 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.388 -6.228 -7.189 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.812 -5.401 -9.424 1.00 0.00 C ATOM 973 CE1 PHE A 63 1.180 -4.918 -6.748 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.604 -4.093 -8.986 1.00 0.00 C ATOM 975 CZ PHE A 63 1.287 -3.850 -7.646 1.00 0.00 C ATOM 0 H PHE A 63 1.389 -9.546 -10.655 1.00 0.00 H new ATOM 0 HA PHE A 63 0.685 -9.226 -7.841 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.772 -8.331 -8.511 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.179 -7.861 -10.092 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.304 -7.052 -6.495 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.057 -5.588 -10.459 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.936 -4.730 -5.713 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.688 -3.270 -9.680 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.125 -2.838 -7.304 1.00 0.00 H new ATOM 985 N ARG A 64 -0.962 -7.384 -10.000 1.00 0.00 N ATOM 986 CA ARG A 64 -2.196 -6.554 -10.099 1.00 0.00 C ATOM 987 C ARG A 64 -3.364 -7.299 -9.471 1.00 0.00 C ATOM 988 O ARG A 64 -4.161 -6.743 -8.740 1.00 0.00 O ATOM 989 CB ARG A 64 -2.429 -6.379 -11.595 1.00 0.00 C ATOM 990 CG ARG A 64 -1.662 -5.156 -12.082 1.00 0.00 C ATOM 991 CD ARG A 64 -0.167 -5.460 -12.045 1.00 0.00 C ATOM 992 NE ARG A 64 0.017 -6.591 -12.995 1.00 0.00 N ATOM 993 CZ ARG A 64 1.215 -6.984 -13.325 1.00 0.00 C ATOM 994 NH1 ARG A 64 2.261 -6.347 -12.876 1.00 0.00 N ATOM 995 NH2 ARG A 64 1.365 -8.005 -14.119 1.00 0.00 N ATOM 0 H ARG A 64 -0.451 -7.510 -10.874 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.101 -5.598 -9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.099 -7.268 -12.133 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.493 -6.260 -11.798 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.969 -4.898 -13.096 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.887 -4.295 -11.452 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.420 -4.592 -12.345 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.156 -5.731 -11.040 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.798 -7.061 -13.389 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.143 -5.539 -12.265 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.197 -6.657 -13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.546 -8.494 -14.481 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.301 -8.315 -14.379 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.461 -8.563 -9.752 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.562 -9.376 -9.178 1.00 0.00 C ATOM 1011 C ALA A 65 -4.526 -9.274 -7.652 1.00 0.00 C ATOM 1012 O ALA A 65 -5.542 -9.139 -7.001 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.262 -10.801 -9.639 1.00 0.00 C ATOM 0 H ALA A 65 -2.820 -9.073 -10.360 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.552 -9.048 -9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.029 -11.475 -9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.254 -10.837 -10.728 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.288 -11.109 -9.259 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.354 -9.319 -7.083 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.235 -9.208 -5.605 1.00 0.00 C ATOM 1021 C VAL A 66 -3.762 -7.853 -5.147 1.00 0.00 C ATOM 1022 O VAL A 66 -4.561 -7.760 -4.236 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.742 -9.314 -5.335 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.481 -9.244 -3.828 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.227 -10.642 -5.896 1.00 0.00 C ATOM 0 H VAL A 66 -2.471 -9.428 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.805 -9.972 -5.076 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.221 -8.488 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.410 -9.320 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.851 -8.296 -3.438 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.996 -10.066 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.157 -10.726 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.747 -11.468 -5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.409 -10.678 -6.970 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.325 -6.797 -5.774 1.00 0.00 N ATOM 1036 CA VAL A 67 -3.815 -5.458 -5.367 1.00 0.00 C ATOM 1037 C VAL A 67 -5.332 -5.397 -5.559 1.00 0.00 C ATOM 1038 O VAL A 67 -6.050 -4.870 -4.730 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.111 -4.453 -6.279 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -3.260 -3.055 -5.678 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.624 -4.806 -6.394 1.00 0.00 C ATOM 0 H VAL A 67 -2.656 -6.805 -6.544 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.604 -5.242 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.559 -4.482 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.762 -2.328 -6.320 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.318 -2.804 -5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.807 -3.035 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.128 -4.086 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.166 -4.777 -5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.519 -5.807 -6.813 1.00 0.00 H new ATOM 1051 N GLN A 68 -5.832 -5.948 -6.637 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.305 -5.929 -6.857 1.00 0.00 C ATOM 1053 C GLN A 68 -7.998 -6.709 -5.741 1.00 0.00 C ATOM 1054 O GLN A 68 -9.081 -6.367 -5.313 1.00 0.00 O ATOM 1055 CB GLN A 68 -7.531 -6.594 -8.214 1.00 0.00 C ATOM 1056 CG GLN A 68 -7.012 -5.675 -9.321 1.00 0.00 C ATOM 1057 CD GLN A 68 -7.470 -6.208 -10.677 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -6.657 -6.538 -11.521 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -8.746 -6.307 -10.924 1.00 0.00 N ATOM 0 H GLN A 68 -5.286 -6.406 -7.367 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.713 -4.918 -6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.016 -7.554 -8.251 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.592 -6.796 -8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.384 -4.661 -9.172 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.924 -5.624 -9.286 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.426 -6.030 -10.216 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.065 -6.661 -11.826 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.371 -7.744 -5.248 1.00 0.00 N ATOM 1069 CA GLN A 69 -7.993 -8.517 -4.140 1.00 0.00 C ATOM 1070 C GLN A 69 -8.172 -7.587 -2.940 1.00 0.00 C ATOM 1071 O GLN A 69 -9.197 -7.586 -2.286 1.00 0.00 O ATOM 1072 CB GLN A 69 -7.006 -9.642 -3.829 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.585 -10.551 -2.743 1.00 0.00 C ATOM 1074 CD GLN A 69 -7.841 -11.939 -3.332 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -7.203 -12.331 -4.288 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -8.753 -12.706 -2.800 1.00 0.00 N ATOM 0 H GLN A 69 -6.462 -8.084 -5.563 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.973 -8.923 -4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.803 -10.220 -4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.056 -9.224 -3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.893 -10.621 -1.904 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.513 -10.130 -2.357 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.290 -12.378 -1.997 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.929 -13.633 -3.187 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.186 -6.765 -2.664 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.320 -5.809 -1.527 1.00 0.00 C ATOM 1087 C LEU A 70 -8.513 -4.896 -1.801 1.00 0.00 C ATOM 1088 O LEU A 70 -9.352 -4.676 -0.952 1.00 0.00 O ATOM 1089 CB LEU A 70 -6.018 -5.003 -1.506 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.965 -5.732 -0.664 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.646 -5.797 -1.433 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.738 -4.965 0.641 1.00 0.00 C ATOM 0 H LEU A 70 -6.304 -6.717 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.484 -6.307 -0.571 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.650 -4.864 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.201 -4.010 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.315 -6.741 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.899 -6.316 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.796 -6.336 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.300 -4.786 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.989 -5.482 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.389 -3.957 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.674 -4.909 1.197 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.604 -4.381 -2.999 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.756 -3.505 -3.347 1.00 0.00 C ATOM 1106 C CYS A 71 -11.051 -4.316 -3.243 1.00 0.00 C ATOM 1107 O CYS A 71 -12.064 -3.838 -2.770 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.505 -3.080 -4.797 1.00 0.00 C ATOM 1109 SG CYS A 71 -7.980 -2.111 -4.885 1.00 0.00 S ATOM 0 H CYS A 71 -7.930 -4.530 -3.750 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.851 -2.643 -2.686 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.428 -3.959 -5.437 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.345 -2.491 -5.165 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.076 -2.654 -4.124 1.00 0.00 H new ATOM 1115 N PHE A 72 -11.015 -5.547 -3.682 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.229 -6.410 -3.615 1.00 0.00 C ATOM 1117 C PHE A 72 -12.679 -6.591 -2.167 1.00 0.00 C ATOM 1118 O PHE A 72 -13.840 -6.447 -1.837 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.797 -7.756 -4.188 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.960 -8.710 -4.095 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -14.011 -8.604 -5.010 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -12.997 -9.689 -3.093 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -15.103 -9.470 -4.926 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -14.093 -10.560 -3.010 1.00 0.00 C ATOM 1125 CZ PHE A 72 -15.144 -10.451 -3.929 1.00 0.00 C ATOM 0 H PHE A 72 -10.192 -5.993 -4.086 1.00 0.00 H new ATOM 0 HA PHE A 72 -13.063 -5.971 -4.163 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.482 -7.643 -5.225 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.942 -8.146 -3.636 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.978 -7.851 -5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.184 -9.772 -2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.917 -9.383 -5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -14.126 -11.314 -2.238 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.986 -11.124 -3.868 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.759 -6.916 -1.305 1.00 0.00 N ATOM 1136 CA GLU A 73 -12.107 -7.117 0.127 1.00 0.00 C ATOM 1137 C GLU A 73 -12.545 -5.793 0.740 1.00 0.00 C ATOM 1138 O GLU A 73 -13.243 -5.752 1.735 1.00 0.00 O ATOM 1139 CB GLU A 73 -10.811 -7.606 0.770 1.00 0.00 C ATOM 1140 CG GLU A 73 -10.425 -8.952 0.161 1.00 0.00 C ATOM 1141 CD GLU A 73 -11.434 -10.013 0.604 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -11.208 -10.623 1.636 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -12.416 -10.198 -0.097 1.00 0.00 O ATOM 0 H GLU A 73 -10.774 -7.052 -1.533 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.926 -7.822 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.015 -6.879 0.610 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.940 -7.705 1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.408 -8.881 -0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.421 -9.233 0.478 1.00 0.00 H new ATOM 1150 N GLY A 74 -12.130 -4.710 0.152 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.499 -3.379 0.692 1.00 0.00 C ATOM 1152 C GLY A 74 -11.276 -2.764 1.369 1.00 0.00 C ATOM 1153 O GLY A 74 -11.376 -1.796 2.096 1.00 0.00 O ATOM 0 H GLY A 74 -11.547 -4.691 -0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.851 -2.731 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.317 -3.475 1.406 1.00 0.00 H new ATOM 1157 N VAL A 75 -10.114 -3.320 1.141 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.892 -2.760 1.782 1.00 0.00 C ATOM 1159 C VAL A 75 -8.257 -1.688 0.895 1.00 0.00 C ATOM 1160 O VAL A 75 -7.651 -1.984 -0.118 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.926 -3.933 1.936 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.731 -3.482 2.776 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.628 -5.096 2.636 1.00 0.00 C ATOM 0 H VAL A 75 -9.961 -4.132 0.543 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.131 -2.294 2.738 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.590 -4.261 0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.034 -4.312 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.228 -2.653 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.078 -3.159 3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.933 -5.929 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.966 -4.777 3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.486 -5.413 2.043 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.368 -0.449 1.281 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.747 0.635 0.474 1.00 0.00 C ATOM 1175 C VAL A 76 -6.774 1.427 1.347 1.00 0.00 C ATOM 1176 O VAL A 76 -7.133 1.944 2.386 1.00 0.00 O ATOM 1177 CB VAL A 76 -8.900 1.525 0.016 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.439 2.362 -1.178 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -10.093 0.660 -0.404 1.00 0.00 C ATOM 0 H VAL A 76 -8.861 -0.141 2.119 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.187 0.246 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.202 2.177 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.257 3.001 -1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.592 2.981 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.139 1.701 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.911 1.302 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.797 0.006 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.420 0.056 0.442 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.542 1.519 0.934 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.532 2.269 1.738 1.00 0.00 C ATOM 1191 C VAL A 77 -3.634 3.077 0.820 1.00 0.00 C ATOM 1192 O VAL A 77 -3.594 2.832 -0.356 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.681 1.189 2.391 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.471 0.490 3.488 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.271 0.180 1.314 1.00 0.00 C ATOM 0 H VAL A 77 -5.187 1.106 0.071 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.005 2.946 2.450 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.794 1.636 2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.852 -0.280 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.766 1.218 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.362 0.031 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.660 -0.603 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.163 -0.264 0.873 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.698 0.688 0.539 1.00 0.00 H new ATOM 1205 N PRO A 78 -2.890 3.971 1.396 1.00 0.00 N ATOM 1206 CA PRO A 78 -1.933 4.766 0.600 1.00 0.00 C ATOM 1207 C PRO A 78 -0.841 3.816 0.116 1.00 0.00 C ATOM 1208 O PRO A 78 0.129 3.563 0.802 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.395 5.784 1.599 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.603 5.149 2.932 1.00 0.00 C ATOM 1211 CD PRO A 78 -2.851 4.316 2.819 1.00 0.00 C ATOM 0 HA PRO A 78 -2.353 5.259 -0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.341 5.995 1.421 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.927 6.732 1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.748 4.531 3.205 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.711 5.905 3.709 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.801 3.427 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.737 4.873 3.124 1.00 0.00 H new ATOM 1219 N ALA A 79 -1.029 3.237 -1.034 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.048 2.244 -1.541 1.00 0.00 C ATOM 1221 C ALA A 79 0.913 2.847 -2.568 1.00 0.00 C ATOM 1222 O ALA A 79 0.513 3.494 -3.512 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.928 1.180 -2.192 1.00 0.00 C ATOM 0 H ALA A 79 -1.825 3.410 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 79 0.592 1.860 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.300 0.390 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.600 0.757 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.514 1.632 -2.992 1.00 0.00 H new ATOM 1229 N ILE A 80 2.185 2.611 -2.390 1.00 0.00 N ATOM 1230 CA ILE A 80 3.195 3.133 -3.347 1.00 0.00 C ATOM 1231 C ILE A 80 3.546 2.024 -4.350 1.00 0.00 C ATOM 1232 O ILE A 80 3.806 0.898 -3.973 1.00 0.00 O ATOM 1233 CB ILE A 80 4.383 3.492 -2.456 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.913 4.483 -1.389 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.487 4.132 -3.290 1.00 0.00 C ATOM 1236 CD1 ILE A 80 5.011 4.687 -0.345 1.00 0.00 C ATOM 0 H ILE A 80 2.569 2.073 -1.613 1.00 0.00 H new ATOM 0 HA ILE A 80 2.862 3.989 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 80 4.774 2.589 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.659 5.436 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.008 4.111 -0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.329 4.384 -2.646 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.815 3.432 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.107 5.038 -3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.668 5.394 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.244 3.734 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.905 5.079 -0.829 1.00 0.00 H new ATOM 1248 N VAL A 81 3.521 2.316 -5.625 1.00 0.00 N ATOM 1249 CA VAL A 81 3.814 1.254 -6.637 1.00 0.00 C ATOM 1250 C VAL A 81 5.197 1.452 -7.269 1.00 0.00 C ATOM 1251 O VAL A 81 5.609 2.557 -7.565 1.00 0.00 O ATOM 1252 CB VAL A 81 2.714 1.401 -7.687 1.00 0.00 C ATOM 1253 CG1 VAL A 81 2.842 0.280 -8.720 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.339 1.314 -7.008 1.00 0.00 C ATOM 0 H VAL A 81 3.312 3.238 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 81 3.829 0.261 -6.188 1.00 0.00 H new ATOM 0 HB VAL A 81 2.814 2.367 -8.182 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.057 0.384 -9.469 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.817 0.341 -9.204 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.743 -0.685 -8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.555 1.419 -7.758 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.239 0.349 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.246 2.112 -6.272 1.00 0.00 H new ATOM 1264 N VAL A 82 5.913 0.377 -7.470 1.00 0.00 N ATOM 1265 CA VAL A 82 7.276 0.472 -8.071 1.00 0.00 C ATOM 1266 C VAL A 82 7.306 -0.214 -9.439 1.00 0.00 C ATOM 1267 O VAL A 82 6.549 -1.127 -9.701 1.00 0.00 O ATOM 1268 CB VAL A 82 8.191 -0.287 -7.106 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.649 0.053 -7.412 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.873 0.099 -5.660 1.00 0.00 C ATOM 0 H VAL A 82 5.610 -0.570 -7.242 1.00 0.00 H new ATOM 0 HA VAL A 82 7.581 1.509 -8.214 1.00 0.00 H new ATOM 0 HB VAL A 82 8.027 -1.357 -7.232 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.300 -0.487 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.883 -0.236 -8.437 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.805 1.125 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.531 -0.448 -4.984 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.026 1.170 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.836 -0.150 -5.437 1.00 0.00 H new ATOM 1280 N GLY A 83 8.189 0.200 -10.304 1.00 0.00 N ATOM 1281 CA GLY A 83 8.278 -0.451 -11.642 1.00 0.00 C ATOM 1282 C GLY A 83 7.317 0.214 -12.624 1.00 0.00 C ATOM 1283 O GLY A 83 6.369 -0.392 -13.086 1.00 0.00 O ATOM 0 H GLY A 83 8.852 0.959 -10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.298 -0.382 -12.019 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.041 -1.511 -11.554 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.504 -0.669 -11.134 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.756 -1.504 -10.173 1.00 0.00 C ATOM 1494 C LEU A 98 -3.441 -1.426 -8.829 1.00 0.00 C ATOM 1495 O LEU A 98 -3.492 -2.381 -8.085 1.00 0.00 O ATOM 1496 CB LEU A 98 -1.378 -0.857 -10.107 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.725 -0.968 -11.477 1.00 0.00 C ATOM 1498 CD1 LEU A 98 0.473 -0.020 -11.565 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.262 -2.408 -11.674 1.00 0.00 C ATOM 0 HA LEU A 98 -2.700 -2.555 -10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.465 0.189 -9.813 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.764 -1.350 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.440 -0.694 -12.253 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.934 -0.106 -12.549 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.138 1.006 -11.410 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.202 -0.283 -10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.209 -2.508 -12.652 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.456 -2.669 -10.897 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.120 -3.077 -11.615 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.970 -0.282 -8.521 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.655 -0.114 -7.222 1.00 0.00 C ATOM 1513 C TYR A 99 -5.658 1.042 -7.299 1.00 0.00 C ATOM 1514 O TYR A 99 -6.238 1.314 -8.333 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.527 0.229 -6.249 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.841 -0.291 -4.864 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.137 -0.709 -4.539 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.824 -0.357 -3.901 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.419 -1.192 -3.258 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.107 -0.840 -2.617 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.405 -1.258 -2.297 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.685 -1.736 -1.036 1.00 0.00 O ATOM 0 H TYR A 99 -3.957 0.546 -9.116 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.215 -1.000 -6.922 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.591 -0.204 -6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.386 1.309 -6.214 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.921 -0.658 -5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.823 -0.036 -4.149 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.420 -1.514 -3.010 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.325 -0.890 -1.874 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.656 -1.756 -0.902 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.852 1.723 -6.204 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.801 2.880 -6.184 1.00 0.00 C ATOM 1534 C HIS A 100 -6.154 4.114 -6.825 1.00 0.00 C ATOM 1535 O HIS A 100 -5.037 4.067 -7.301 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.094 3.137 -4.705 1.00 0.00 C ATOM 1537 CG HIS A 100 -5.799 3.259 -3.958 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -4.560 3.202 -4.604 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.517 3.371 -2.620 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -3.606 3.265 -3.659 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.148 3.369 -2.468 1.00 0.00 N ATOM 0 H HIS A 100 -5.392 1.529 -5.314 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.710 2.670 -6.747 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.680 4.049 -4.591 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.689 2.322 -4.293 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -6.243 3.447 -1.824 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -2.544 3.234 -3.852 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.643 3.437 -1.584 1.00 0.00 H new ATOM 1549 N SER A 101 -6.861 5.214 -6.848 1.00 0.00 N ATOM 1550 CA SER A 101 -6.314 6.458 -7.469 1.00 0.00 C ATOM 1551 C SER A 101 -5.400 7.218 -6.502 1.00 0.00 C ATOM 1552 O SER A 101 -4.831 8.235 -6.847 1.00 0.00 O ATOM 1553 CB SER A 101 -7.548 7.289 -7.794 1.00 0.00 C ATOM 1554 OG SER A 101 -8.547 6.449 -8.352 1.00 0.00 O ATOM 0 H SER A 101 -7.800 5.305 -6.461 1.00 0.00 H new ATOM 0 HA SER A 101 -5.704 6.238 -8.345 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.924 7.770 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.291 8.083 -8.495 1.00 0.00 H new ATOM 0 HG SER A 101 -9.343 6.981 -8.560 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.252 6.741 -5.302 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.371 7.445 -4.325 1.00 0.00 C ATOM 1562 C ALA A 102 -2.960 6.850 -4.384 1.00 0.00 C ATOM 1563 O ALA A 102 -1.986 7.482 -4.029 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.016 7.177 -2.967 1.00 0.00 C ATOM 0 H ALA A 102 -5.701 5.895 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.276 8.512 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.431 7.660 -2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.030 7.576 -2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.048 6.103 -2.785 1.00 0.00 H new ATOM 1570 N GLU A 103 -2.862 5.629 -4.827 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.539 4.946 -4.919 1.00 0.00 C ATOM 1572 C GLU A 103 -0.447 5.884 -5.431 1.00 0.00 C ATOM 1573 O GLU A 103 -0.604 6.551 -6.433 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.763 3.807 -5.927 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.589 4.332 -7.360 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.032 3.265 -8.360 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -3.225 3.022 -8.449 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -1.172 2.712 -9.023 1.00 0.00 O ATOM 0 H GLU A 103 -3.654 5.065 -5.135 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.205 4.598 -3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.056 2.999 -5.738 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.763 3.391 -5.802 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.177 5.239 -7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.547 4.598 -7.536 1.00 0.00 H new ATOM 1585 N LEU A 104 0.678 5.895 -4.781 1.00 0.00 N ATOM 1586 CA LEU A 104 1.794 6.743 -5.265 1.00 0.00 C ATOM 1587 C LEU A 104 2.718 5.888 -6.122 1.00 0.00 C ATOM 1588 O LEU A 104 2.780 4.684 -5.971 1.00 0.00 O ATOM 1589 CB LEU A 104 2.527 7.228 -4.021 1.00 0.00 C ATOM 1590 CG LEU A 104 2.309 8.728 -3.873 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.829 8.996 -3.597 1.00 0.00 C ATOM 1592 CD2 LEU A 104 3.155 9.250 -2.710 1.00 0.00 C ATOM 0 H LEU A 104 0.872 5.355 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 104 1.448 7.585 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.159 6.705 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.592 7.008 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 104 2.604 9.237 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.667 10.069 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.230 8.620 -4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.533 8.491 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.001 10.324 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.859 8.746 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.208 9.053 -2.909 1.00 0.00 H new ATOM 1604 N HIS A 105 3.435 6.489 -7.017 1.00 0.00 N ATOM 1605 CA HIS A 105 4.347 5.689 -7.872 1.00 0.00 C ATOM 1606 C HIS A 105 5.796 6.051 -7.572 1.00 0.00 C ATOM 1607 O HIS A 105 6.130 7.194 -7.329 1.00 0.00 O ATOM 1608 CB HIS A 105 3.986 6.054 -9.304 1.00 0.00 C ATOM 1609 CG HIS A 105 2.783 5.259 -9.738 1.00 0.00 C ATOM 1610 ND1 HIS A 105 2.480 5.046 -11.073 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.803 4.610 -9.022 1.00 0.00 C ATOM 1612 CE1 HIS A 105 1.360 4.299 -11.120 1.00 0.00 C ATOM 1613 NE2 HIS A 105 0.908 4.005 -9.898 1.00 0.00 N ATOM 0 H HIS A 105 3.432 7.493 -7.196 1.00 0.00 H new ATOM 0 HA HIS A 105 4.242 4.619 -7.695 1.00 0.00 H new ATOM 0 HB2 HIS A 105 3.775 7.121 -9.376 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.828 5.850 -9.966 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.739 4.576 -7.944 1.00 0.00 H new ATOM 0 HE1 HIS A 105 0.885 3.977 -12.035 1.00 0.00 H new ATOM 0 HE2 HIS A 105 0.083 3.455 -9.659 1.00 0.00 H new ATOM 1621 N LEU A 106 6.657 5.078 -7.585 1.00 0.00 N ATOM 1622 CA LEU A 106 8.092 5.352 -7.297 1.00 0.00 C ATOM 1623 C LEU A 106 8.985 4.662 -8.326 1.00 0.00 C ATOM 1624 O LEU A 106 8.877 3.476 -8.558 1.00 0.00 O ATOM 1625 CB LEU A 106 8.342 4.773 -5.903 1.00 0.00 C ATOM 1626 CG LEU A 106 9.783 5.068 -5.489 1.00 0.00 C ATOM 1627 CD1 LEU A 106 10.055 6.566 -5.633 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.995 4.652 -4.031 1.00 0.00 C ATOM 0 H LEU A 106 6.432 4.103 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 106 8.318 6.417 -7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.648 5.209 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.164 3.698 -5.905 1.00 0.00 H new ATOM 0 HG LEU A 106 10.465 4.508 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.082 6.779 -5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.906 6.865 -6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.371 7.123 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.023 4.863 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.313 5.211 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.800 3.585 -3.925 1.00 0.00 H new ATOM 1640 N GLY A 107 9.874 5.392 -8.938 1.00 0.00 N ATOM 1641 CA GLY A 107 10.778 4.770 -9.944 1.00 0.00 C ATOM 1642 C GLY A 107 11.538 3.619 -9.285 1.00 0.00 C ATOM 1643 O GLY A 107 11.824 3.646 -8.104 1.00 0.00 O ATOM 0 H GLY A 107 10.014 6.391 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.201 4.403 -10.793 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.478 5.511 -10.331 1.00 0.00 H new ATOM 1647 N ILE A 108 11.864 2.605 -10.034 1.00 0.00 N ATOM 1648 CA ILE A 108 12.597 1.458 -9.454 1.00 0.00 C ATOM 1649 C ILE A 108 13.938 1.911 -8.874 1.00 0.00 C ATOM 1650 O ILE A 108 14.334 1.495 -7.803 1.00 0.00 O ATOM 1651 CB ILE A 108 12.807 0.539 -10.643 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.466 -0.032 -11.091 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.732 -0.594 -10.249 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.695 -0.944 -12.293 1.00 0.00 C ATOM 0 H ILE A 108 11.651 2.525 -11.028 1.00 0.00 H new ATOM 0 HA ILE A 108 12.062 0.979 -8.634 1.00 0.00 H new ATOM 0 HB ILE A 108 13.252 1.104 -11.462 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.003 -0.590 -10.277 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.782 0.775 -11.354 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.883 -1.254 -11.103 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.692 -0.186 -9.931 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.288 -1.158 -9.429 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.742 -1.358 -12.622 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.141 -0.370 -13.105 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.366 -1.756 -12.011 1.00 0.00 H new ATOM 1666 N HIS A 109 14.636 2.773 -9.564 1.00 0.00 N ATOM 1667 CA HIS A 109 15.939 3.262 -9.034 1.00 0.00 C ATOM 1668 C HIS A 109 15.688 4.436 -8.095 1.00 0.00 C ATOM 1669 O HIS A 109 16.601 5.115 -7.666 1.00 0.00 O ATOM 1670 CB HIS A 109 16.736 3.720 -10.255 1.00 0.00 C ATOM 1671 CG HIS A 109 15.992 4.822 -10.959 1.00 0.00 C ATOM 1672 ND1 HIS A 109 15.438 4.649 -12.217 1.00 0.00 N ATOM 1673 CD2 HIS A 109 15.717 6.121 -10.605 1.00 0.00 C ATOM 1674 CE1 HIS A 109 14.863 5.812 -12.572 1.00 0.00 C ATOM 1675 NE2 HIS A 109 15.004 6.744 -11.624 1.00 0.00 N ATOM 0 H HIS A 109 14.361 3.158 -10.468 1.00 0.00 H new ATOM 0 HA HIS A 109 16.475 2.494 -8.476 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.721 4.071 -9.948 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.894 2.882 -10.934 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.010 6.588 -9.676 1.00 0.00 H new ATOM 0 HE1 HIS A 109 14.350 5.973 -13.509 1.00 0.00 H new ATOM 0 HE2 HIS A 109 14.662 7.705 -11.644 1.00 0.00 H new ATOM 1683 N GLN A 110 14.448 4.682 -7.779 1.00 0.00 N ATOM 1684 CA GLN A 110 14.113 5.809 -6.874 1.00 0.00 C ATOM 1685 C GLN A 110 13.786 5.277 -5.486 1.00 0.00 C ATOM 1686 O GLN A 110 13.021 5.867 -4.748 1.00 0.00 O ATOM 1687 CB GLN A 110 12.872 6.450 -7.485 1.00 0.00 C ATOM 1688 CG GLN A 110 13.150 6.863 -8.929 1.00 0.00 C ATOM 1689 CD GLN A 110 12.060 7.842 -9.366 1.00 0.00 C ATOM 1690 OE1 GLN A 110 11.639 8.680 -8.591 1.00 0.00 O ATOM 1691 NE2 GLN A 110 11.579 7.778 -10.576 1.00 0.00 N ATOM 0 H GLN A 110 13.648 4.145 -8.113 1.00 0.00 H new ATOM 0 HA GLN A 110 14.937 6.515 -6.773 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.038 5.749 -7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.578 7.321 -6.900 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.132 7.328 -9.009 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.158 5.988 -9.579 1.00 0.00 H new ATOM 0 HE21 GLN A 110 11.930 7.076 -11.228 1.00 0.00 H new ATOM 0 HE22 GLN A 110 10.852 8.429 -10.871 1.00 0.00 H new ATOM 1700 N LEU A 111 14.343 4.161 -5.126 1.00 0.00 N ATOM 1701 CA LEU A 111 14.046 3.594 -3.789 1.00 0.00 C ATOM 1702 C LEU A 111 14.755 4.408 -2.714 1.00 0.00 C ATOM 1703 O LEU A 111 15.928 4.246 -2.451 1.00 0.00 O ATOM 1704 CB LEU A 111 14.566 2.158 -3.846 1.00 0.00 C ATOM 1705 CG LEU A 111 13.637 1.240 -4.678 1.00 0.00 C ATOM 1706 CD1 LEU A 111 12.975 0.227 -3.751 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.540 2.039 -5.402 1.00 0.00 C ATOM 0 H LEU A 111 14.990 3.618 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 111 12.985 3.618 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.566 2.151 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.654 1.763 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 111 14.248 0.741 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.319 -0.423 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.742 -0.374 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.390 0.753 -2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.911 1.357 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.930 2.567 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.001 2.760 -6.077 1.00 0.00 H new ATOM 1719 N GLU A 112 14.023 5.293 -2.108 1.00 0.00 N ATOM 1720 CA GLU A 112 14.585 6.173 -1.049 1.00 0.00 C ATOM 1721 C GLU A 112 13.558 7.254 -0.724 1.00 0.00 C ATOM 1722 O GLU A 112 13.495 7.767 0.375 1.00 0.00 O ATOM 1723 CB GLU A 112 15.833 6.799 -1.668 1.00 0.00 C ATOM 1724 CG GLU A 112 15.508 7.269 -3.088 1.00 0.00 C ATOM 1725 CD GLU A 112 16.627 8.175 -3.599 1.00 0.00 C ATOM 1726 OE1 GLU A 112 17.093 8.998 -2.829 1.00 0.00 O ATOM 1727 OE2 GLU A 112 16.998 8.031 -4.752 1.00 0.00 O ATOM 0 H GLU A 112 13.035 5.448 -2.306 1.00 0.00 H new ATOM 0 HA GLU A 112 14.823 5.638 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.172 7.640 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.646 6.073 -1.689 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.393 6.410 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.560 7.806 -3.096 1.00 0.00 H new ATOM 1734 N GLN A 113 12.746 7.594 -1.689 1.00 0.00 N ATOM 1735 CA GLN A 113 11.699 8.638 -1.472 1.00 0.00 C ATOM 1736 C GLN A 113 10.471 8.017 -0.808 1.00 0.00 C ATOM 1737 O GLN A 113 9.492 8.684 -0.536 1.00 0.00 O ATOM 1738 CB GLN A 113 11.352 9.129 -2.875 1.00 0.00 C ATOM 1739 CG GLN A 113 12.482 10.021 -3.386 1.00 0.00 C ATOM 1740 CD GLN A 113 12.233 10.381 -4.850 1.00 0.00 C ATOM 1741 OE1 GLN A 113 11.325 11.128 -5.159 1.00 0.00 O ATOM 1742 NE2 GLN A 113 13.007 9.879 -5.772 1.00 0.00 N ATOM 0 H GLN A 113 12.762 7.191 -2.626 1.00 0.00 H new ATOM 0 HA GLN A 113 12.039 9.445 -0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 113 11.209 8.281 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.414 9.683 -2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.543 10.928 -2.784 1.00 0.00 H new ATOM 0 HG3 GLN A 113 13.438 9.507 -3.286 1.00 0.00 H new ATOM 0 HE21 GLN A 113 13.769 9.252 -5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 113 12.850 10.113 -6.752 1.00 0.00 H new ATOM 1751 N LEU A 114 10.514 6.739 -0.567 1.00 0.00 N ATOM 1752 CA LEU A 114 9.359 6.043 0.060 1.00 0.00 C ATOM 1753 C LEU A 114 8.881 6.725 1.348 1.00 0.00 C ATOM 1754 O LEU A 114 7.695 6.878 1.535 1.00 0.00 O ATOM 1755 CB LEU A 114 9.868 4.643 0.350 1.00 0.00 C ATOM 1756 CG LEU A 114 9.817 3.821 -0.933 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.224 3.367 -1.312 1.00 0.00 C ATOM 1758 CD2 LEU A 114 8.925 2.600 -0.711 1.00 0.00 C ATOM 0 H LEU A 114 11.311 6.139 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 114 8.492 6.054 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.889 4.685 0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.259 4.173 1.123 1.00 0.00 H new ATOM 0 HG LEU A 114 9.411 4.430 -1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.182 2.780 -2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 114 11.858 4.240 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.638 2.757 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 114 8.884 2.008 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 114 9.334 1.993 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 114 7.920 2.927 -0.446 1.00 0.00 H new ATOM 1770 N PRO A 115 9.788 7.113 2.210 1.00 0.00 N ATOM 1771 CA PRO A 115 9.360 7.771 3.468 1.00 0.00 C ATOM 1772 C PRO A 115 8.673 9.089 3.133 1.00 0.00 C ATOM 1773 O PRO A 115 7.536 9.318 3.498 1.00 0.00 O ATOM 1774 CB PRO A 115 10.662 7.966 4.243 1.00 0.00 C ATOM 1775 CG PRO A 115 11.728 7.946 3.199 1.00 0.00 C ATOM 1776 CD PRO A 115 11.248 7.007 2.117 1.00 0.00 C ATOM 0 HA PRO A 115 8.640 7.198 4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.660 8.909 4.790 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.810 7.173 4.976 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.898 8.945 2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.675 7.605 3.617 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.612 7.305 1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.590 5.986 2.288 1.00 0.00 H new ATOM 1784 N TYR A 116 9.326 9.944 2.403 1.00 0.00 N ATOM 1785 CA TYR A 116 8.663 11.208 2.016 1.00 0.00 C ATOM 1786 C TYR A 116 7.432 10.845 1.172 1.00 0.00 C ATOM 1787 O TYR A 116 6.376 11.429 1.307 1.00 0.00 O ATOM 1788 CB TYR A 116 9.746 11.992 1.245 1.00 0.00 C ATOM 1789 CG TYR A 116 9.333 12.258 -0.180 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.269 13.121 -0.448 1.00 0.00 C ATOM 1791 CD2 TYR A 116 10.027 11.647 -1.231 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.893 13.375 -1.772 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.652 11.902 -2.556 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.584 12.767 -2.827 1.00 0.00 C ATOM 1795 OH TYR A 116 8.212 13.018 -4.132 1.00 0.00 O ATOM 0 H TYR A 116 10.280 9.822 2.062 1.00 0.00 H new ATOM 0 HA TYR A 116 8.298 11.819 2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.940 12.938 1.750 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.679 11.429 1.254 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.737 13.592 0.365 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.850 10.980 -1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 116 7.069 14.041 -1.980 1.00 0.00 H new ATOM 0 HE2 TYR A 116 10.186 11.432 -3.369 1.00 0.00 H new ATOM 0 HH TYR A 116 8.795 12.518 -4.740 1.00 0.00 H new ATOM 1805 N GLN A 117 7.559 9.848 0.334 1.00 0.00 N ATOM 1806 CA GLN A 117 6.401 9.398 -0.495 1.00 0.00 C ATOM 1807 C GLN A 117 5.293 8.833 0.400 1.00 0.00 C ATOM 1808 O GLN A 117 4.123 9.070 0.182 1.00 0.00 O ATOM 1809 CB GLN A 117 6.965 8.304 -1.402 1.00 0.00 C ATOM 1810 CG GLN A 117 7.677 8.959 -2.586 1.00 0.00 C ATOM 1811 CD GLN A 117 6.674 9.152 -3.724 1.00 0.00 C ATOM 1812 OE1 GLN A 117 6.032 8.210 -4.148 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.503 10.340 -4.236 1.00 0.00 N ATOM 0 H GLN A 117 8.421 9.323 0.188 1.00 0.00 H new ATOM 0 HA GLN A 117 5.961 10.216 -1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.660 7.675 -0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 117 6.162 7.657 -1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.098 9.919 -2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.508 8.336 -2.918 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.041 11.131 -3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.831 10.478 -4.991 1.00 0.00 H new ATOM 1822 N VAL A 118 5.658 8.090 1.407 1.00 0.00 N ATOM 1823 CA VAL A 118 4.634 7.512 2.323 1.00 0.00 C ATOM 1824 C VAL A 118 3.866 8.641 3.009 1.00 0.00 C ATOM 1825 O VAL A 118 2.652 8.636 3.065 1.00 0.00 O ATOM 1826 CB VAL A 118 5.431 6.686 3.345 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.642 6.553 4.654 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.686 5.286 2.778 1.00 0.00 C ATOM 0 H VAL A 118 6.624 7.857 1.636 1.00 0.00 H new ATOM 0 HA VAL A 118 3.900 6.897 1.802 1.00 0.00 H new ATOM 0 HB VAL A 118 6.376 7.191 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.219 5.966 5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.453 7.544 5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.693 6.055 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.251 4.698 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.733 4.796 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.255 5.367 1.852 1.00 0.00 H new ATOM 1838 N ASP A 119 4.566 9.618 3.514 1.00 0.00 N ATOM 1839 CA ASP A 119 3.871 10.751 4.177 1.00 0.00 C ATOM 1840 C ASP A 119 2.959 11.426 3.156 1.00 0.00 C ATOM 1841 O ASP A 119 1.838 11.800 3.447 1.00 0.00 O ATOM 1842 CB ASP A 119 4.991 11.694 4.618 1.00 0.00 C ATOM 1843 CG ASP A 119 5.772 11.045 5.764 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.138 10.518 6.663 1.00 0.00 O ATOM 1845 OD2 ASP A 119 6.991 11.085 5.720 1.00 0.00 O ATOM 0 H ASP A 119 5.584 9.679 3.496 1.00 0.00 H new ATOM 0 HA ASP A 119 3.254 10.448 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.657 11.904 3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.574 12.648 4.940 1.00 0.00 H new ATOM 1850 N ALA A 120 3.437 11.553 1.949 1.00 0.00 N ATOM 1851 CA ALA A 120 2.617 12.170 0.875 1.00 0.00 C ATOM 1852 C ALA A 120 1.506 11.200 0.484 1.00 0.00 C ATOM 1853 O ALA A 120 0.372 11.587 0.276 1.00 0.00 O ATOM 1854 CB ALA A 120 3.589 12.381 -0.282 1.00 0.00 C ATOM 0 H ALA A 120 4.368 11.253 1.661 1.00 0.00 H new ATOM 0 HA ALA A 120 2.144 13.106 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.062 12.835 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.398 13.038 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.002 11.420 -0.590 1.00 0.00 H new ATOM 1860 N ALA A 121 1.820 9.933 0.405 1.00 0.00 N ATOM 1861 CA ALA A 121 0.773 8.940 0.057 1.00 0.00 C ATOM 1862 C ALA A 121 -0.271 8.921 1.177 1.00 0.00 C ATOM 1863 O ALA A 121 -1.453 8.769 0.939 1.00 0.00 O ATOM 1864 CB ALA A 121 1.504 7.592 -0.041 1.00 0.00 C ATOM 0 H ALA A 121 2.751 9.549 0.566 1.00 0.00 H new ATOM 0 HA ALA A 121 0.257 9.168 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.790 6.809 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.271 7.649 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.970 7.360 0.917 1.00 0.00 H new ATOM 1870 N LEU A 122 0.162 9.086 2.402 1.00 0.00 N ATOM 1871 CA LEU A 122 -0.803 9.084 3.543 1.00 0.00 C ATOM 1872 C LEU A 122 -1.855 10.178 3.345 1.00 0.00 C ATOM 1873 O LEU A 122 -3.035 9.903 3.244 1.00 0.00 O ATOM 1874 CB LEU A 122 0.045 9.371 4.793 1.00 0.00 C ATOM 1875 CG LEU A 122 0.781 8.101 5.240 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.946 8.476 6.163 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.184 7.189 6.001 1.00 0.00 C ATOM 0 H LEU A 122 1.139 9.222 2.660 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.338 8.138 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.765 10.161 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.594 9.732 5.599 1.00 0.00 H new ATOM 0 HG LEU A 122 1.162 7.582 4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.466 7.571 6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.639 9.126 5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.562 8.998 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.341 6.288 6.318 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.566 7.713 6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.015 6.916 5.351 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.443 11.417 3.279 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.434 12.510 3.079 1.00 0.00 C ATOM 1891 C ALA A 123 -3.185 12.289 1.763 1.00 0.00 C ATOM 1892 O ALA A 123 -4.375 12.511 1.673 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.605 13.793 3.032 1.00 0.00 C ATOM 0 H ALA A 123 -0.471 11.716 3.354 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.184 12.551 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -2.265 14.648 2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.062 13.910 3.970 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.896 13.738 2.206 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.505 11.834 0.747 1.00 0.00 N ATOM 1900 CA GLU A 124 -3.191 11.585 -0.552 1.00 0.00 C ATOM 1901 C GLU A 124 -4.302 10.543 -0.358 1.00 0.00 C ATOM 1902 O GLU A 124 -5.376 10.655 -0.916 1.00 0.00 O ATOM 1903 CB GLU A 124 -2.102 11.046 -1.481 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.612 11.058 -2.923 1.00 0.00 C ATOM 1905 CD GLU A 124 -2.723 12.504 -3.407 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -1.741 13.222 -3.299 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -3.786 12.871 -3.877 1.00 0.00 O ATOM 0 H GLU A 124 -1.507 11.624 0.760 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.657 12.483 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.202 11.656 -1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.828 10.032 -1.189 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.933 10.498 -3.566 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.583 10.567 -2.982 1.00 0.00 H new ATOM 1914 N PHE A 125 -4.047 9.530 0.434 1.00 0.00 N ATOM 1915 CA PHE A 125 -5.083 8.480 0.673 1.00 0.00 C ATOM 1916 C PHE A 125 -6.199 9.031 1.565 1.00 0.00 C ATOM 1917 O PHE A 125 -7.370 8.855 1.295 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.335 7.354 1.391 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.315 6.380 2.011 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -5.971 5.428 1.215 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -5.555 6.418 3.391 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -6.864 4.520 1.803 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -6.445 5.511 3.976 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.100 4.563 3.182 1.00 0.00 C ATOM 0 H PHE A 125 -3.165 9.386 0.925 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.552 8.141 -0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.689 6.831 0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.690 7.772 2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.788 5.395 0.151 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.051 7.150 4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -7.370 3.787 1.191 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -6.627 5.542 5.040 1.00 0.00 H new ATOM 0 HZ PHE A 125 -7.788 3.864 3.634 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.839 9.689 2.635 1.00 0.00 N ATOM 1935 CA LEU A 126 -6.872 10.246 3.554 1.00 0.00 C ATOM 1936 C LEU A 126 -7.731 11.285 2.827 1.00 0.00 C ATOM 1937 O LEU A 126 -8.938 11.312 2.967 1.00 0.00 O ATOM 1938 CB LEU A 126 -6.079 10.890 4.692 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.362 9.795 5.488 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -4.519 10.423 6.603 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.404 8.866 6.110 1.00 0.00 C ATOM 0 H LEU A 126 -4.873 9.864 2.912 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.557 9.481 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.354 11.599 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.747 11.452 5.344 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.710 9.233 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.013 9.637 7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.777 11.092 6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.166 10.988 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.901 8.084 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.051 9.438 6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.004 8.412 5.321 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.122 12.136 2.050 1.00 0.00 N ATOM 1954 CA ARG A 127 -7.910 13.166 1.314 1.00 0.00 C ATOM 1955 C ARG A 127 -8.825 12.491 0.294 1.00 0.00 C ATOM 1956 O ARG A 127 -9.953 12.894 0.093 1.00 0.00 O ATOM 1957 CB ARG A 127 -6.879 14.039 0.600 1.00 0.00 C ATOM 1958 CG ARG A 127 -7.567 15.303 0.076 1.00 0.00 C ATOM 1959 CD ARG A 127 -6.577 16.118 -0.757 1.00 0.00 C ATOM 1960 NE ARG A 127 -7.327 17.343 -1.152 1.00 0.00 N ATOM 1961 CZ ARG A 127 -6.686 18.402 -1.572 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -5.382 18.404 -1.615 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -7.352 19.461 -1.938 1.00 0.00 N ATOM 0 H ARG A 127 -6.115 12.164 1.892 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.540 13.752 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.074 14.306 1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.427 13.488 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -8.432 15.034 -0.530 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -7.935 15.901 0.910 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.687 16.368 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.243 15.560 -1.632 1.00 0.00 H new ATOM 0 HE ARG A 127 -8.345 17.355 -1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -4.861 17.578 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -4.884 19.231 -1.943 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -8.371 19.462 -1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -6.854 20.289 -2.266 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.343 11.468 -0.356 1.00 0.00 N ATOM 1978 CA LEU A 128 -9.179 10.766 -1.370 1.00 0.00 C ATOM 1979 C LEU A 128 -10.108 9.750 -0.693 1.00 0.00 C ATOM 1980 O LEU A 128 -10.926 9.128 -1.337 1.00 0.00 O ATOM 1981 CB LEU A 128 -8.175 10.044 -2.276 1.00 0.00 C ATOM 1982 CG LEU A 128 -7.943 10.868 -3.545 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -7.037 12.055 -3.221 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -7.277 9.996 -4.612 1.00 0.00 C ATOM 0 H LEU A 128 -7.405 11.087 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.816 11.456 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -7.233 9.898 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -8.551 9.055 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 128 -8.900 11.230 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -6.871 12.643 -4.124 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -7.512 12.679 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -6.081 11.691 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -7.113 10.586 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -6.320 9.631 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.922 9.149 -4.845 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.977 9.561 0.595 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.845 8.566 1.298 1.00 0.00 C ATOM 1998 C ALA A 129 -12.295 9.061 1.412 1.00 0.00 C ATOM 1999 O ALA A 129 -12.531 10.171 1.845 1.00 0.00 O ATOM 2000 CB ALA A 129 -10.240 8.425 2.691 1.00 0.00 C ATOM 0 H ALA A 129 -9.309 10.051 1.190 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.880 7.623 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.823 7.709 3.270 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -9.212 8.072 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -10.252 9.393 3.192 1.00 0.00 H new ATOM 2006 N PRO A 130 -13.230 8.211 1.046 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.901 6.856 0.518 1.00 0.00 C ATOM 2008 C PRO A 130 -12.287 6.964 -0.886 1.00 0.00 C ATOM 2009 O PRO A 130 -12.729 7.745 -1.708 1.00 0.00 O ATOM 2010 CB PRO A 130 -14.252 6.150 0.470 1.00 0.00 C ATOM 2011 CG PRO A 130 -15.253 7.252 0.375 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.676 8.435 1.103 1.00 0.00 C ATOM 0 HA PRO A 130 -12.172 6.323 1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -14.318 5.480 -0.387 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -14.414 5.544 1.361 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.454 7.501 -0.667 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -16.201 6.951 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.954 9.374 0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -15.033 8.484 2.132 1.00 0.00 H new ATOM 2020 N VAL A 131 -11.268 6.191 -1.161 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.618 6.255 -2.508 1.00 0.00 C ATOM 2022 C VAL A 131 -11.384 5.399 -3.513 1.00 0.00 C ATOM 2023 O VAL A 131 -12.088 4.478 -3.152 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.214 5.670 -2.320 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.298 6.162 -3.443 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -8.639 6.104 -0.970 1.00 0.00 C ATOM 0 H VAL A 131 -10.857 5.519 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.597 7.277 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 131 -9.278 4.582 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.300 5.745 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.698 5.842 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.243 7.250 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.641 5.683 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -8.581 7.192 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.285 5.747 -0.168 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.233 5.680 -4.777 1.00 0.00 N ATOM 2037 CA GLU A 132 -11.937 4.861 -5.797 1.00 0.00 C ATOM 2038 C GLU A 132 -11.027 3.714 -6.236 1.00 0.00 C ATOM 2039 O GLU A 132 -9.973 3.924 -6.806 1.00 0.00 O ATOM 2040 CB GLU A 132 -12.220 5.804 -6.966 1.00 0.00 C ATOM 2041 CG GLU A 132 -13.234 5.148 -7.907 1.00 0.00 C ATOM 2042 CD GLU A 132 -13.610 6.125 -9.024 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -13.051 7.209 -9.051 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -14.451 5.771 -9.833 1.00 0.00 O ATOM 0 H GLU A 132 -10.656 6.437 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 132 -12.860 4.425 -5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.609 6.753 -6.597 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -11.297 6.024 -7.503 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -12.813 4.238 -8.334 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -14.125 4.856 -7.351 1.00 0.00 H new ATOM 2051 N THR A 133 -11.427 2.503 -5.978 1.00 0.00 N ATOM 2052 CA THR A 133 -10.591 1.343 -6.383 1.00 0.00 C ATOM 2053 C THR A 133 -11.226 0.673 -7.602 1.00 0.00 C ATOM 2054 O THR A 133 -12.421 0.463 -7.653 1.00 0.00 O ATOM 2055 CB THR A 133 -10.583 0.408 -5.170 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.847 0.468 -4.521 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.479 0.838 -4.196 1.00 0.00 C ATOM 0 H THR A 133 -12.298 2.266 -5.503 1.00 0.00 H new ATOM 0 HA THR A 133 -9.575 1.623 -6.662 1.00 0.00 H new ATOM 0 HB THR A 133 -10.392 -0.614 -5.498 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.845 -0.131 -3.745 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.475 0.172 -3.334 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.512 0.789 -4.697 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.664 1.860 -3.864 1.00 0.00 H new ATOM 2065 N MET A 134 -10.441 0.355 -8.589 1.00 0.00 N ATOM 2066 CA MET A 134 -11.004 -0.284 -9.813 1.00 0.00 C ATOM 2067 C MET A 134 -11.695 -1.593 -9.438 1.00 0.00 C ATOM 2068 O MET A 134 -12.710 -1.956 -10.000 1.00 0.00 O ATOM 2069 CB MET A 134 -9.794 -0.539 -10.710 1.00 0.00 C ATOM 2070 CG MET A 134 -9.095 0.788 -11.007 1.00 0.00 C ATOM 2071 SD MET A 134 -10.084 1.757 -12.172 1.00 0.00 S ATOM 2072 CE MET A 134 -9.198 1.275 -13.674 1.00 0.00 C ATOM 0 H MET A 134 -9.433 0.509 -8.604 1.00 0.00 H new ATOM 0 HA MET A 134 -11.750 0.335 -10.311 1.00 0.00 H new ATOM 0 HB2 MET A 134 -9.103 -1.226 -10.221 1.00 0.00 H new ATOM 0 HB3 MET A 134 -10.110 -1.013 -11.640 1.00 0.00 H new ATOM 0 HG2 MET A 134 -8.952 1.349 -10.083 1.00 0.00 H new ATOM 0 HG3 MET A 134 -8.105 0.602 -11.423 1.00 0.00 H new ATOM 0 HE1 MET A 134 -9.649 1.767 -14.536 1.00 0.00 H new ATOM 0 HE2 MET A 134 -8.153 1.573 -13.591 1.00 0.00 H new ATOM 0 HE3 MET A 134 -9.258 0.194 -13.801 1.00 0.00 H new ATOM 2082 N ALA A 135 -11.161 -2.297 -8.483 1.00 0.00 N ATOM 2083 CA ALA A 135 -11.793 -3.577 -8.060 1.00 0.00 C ATOM 2084 C ALA A 135 -12.542 -3.377 -6.740 1.00 0.00 C ATOM 2085 O ALA A 135 -12.519 -2.266 -6.230 1.00 0.00 O ATOM 2086 CB ALA A 135 -10.631 -4.552 -7.879 1.00 0.00 C ATOM 2087 OXT ALA A 135 -13.127 -4.333 -6.262 1.00 0.00 O ATOM 0 H ALA A 135 -10.313 -2.042 -7.976 1.00 0.00 H new ATOM 0 HA ALA A 135 -12.518 -3.944 -8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -11.016 -5.523 -7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -10.097 -4.660 -8.823 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -9.950 -4.170 -7.119 1.00 0.00 H new