USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 26 ASN : amide:sc= -2.59 K(o=-2.7,f=-14!) USER MOD Set 1.2: A 35 ASN : amide:sc= -0.143 X(o=-2.7,f=-2.7) USER MOD Single : A 12 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 155:sc= 0 (180deg=-0.701) USER MOD Single : A 16 LYS NZ :NH3+ 137:sc= -1.12 (180deg=-3.22!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 37 CYS SG : rot 62:sc= -2.1 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -76:sc= 0.742 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.413 X(o=-0.41,f=-0.019) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.21! C(o=-3.2!,f=-5.6!) USER MOD Single : A 57 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.8!) USER MOD Single : A 61 MET CE :methyl -158:sc= -0.246 (180deg=-1.05) USER MOD Single : A 63 SER OG : rot -142:sc= 0.38 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.3!) USER MOD Single : A 79 SER OG : rot -49:sc= 0.17 USER MOD Single : A 80 LYS NZ :NH3+ 162:sc= -0.0243 (180deg=-0.266) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.0916 K(o=-0.092,f=-2.6!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.717 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.72 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -6.723 -0.565 5.157 1.00 0.00 N ATOM 67 CA LEU A 8 -6.480 -1.559 4.126 1.00 0.00 C ATOM 68 C LEU A 8 -7.596 -1.486 3.081 1.00 0.00 C ATOM 69 O LEU A 8 -7.331 -1.262 1.901 1.00 0.00 O ATOM 70 CB LEU A 8 -6.310 -2.946 4.748 1.00 0.00 C ATOM 71 CG LEU A 8 -5.221 -3.073 5.816 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.249 -4.459 6.464 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.845 -2.738 5.238 1.00 0.00 C ATOM 0 HA LEU A 8 -5.543 -1.351 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.261 -3.243 5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.093 -3.656 3.950 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.426 -2.346 6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.466 -4.523 7.219 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.219 -4.622 6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.082 -5.220 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.089 -2.836 6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.616 -3.424 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.848 -1.715 4.862 1.00 0.00 H new ATOM 85 N GLY A 9 -8.819 -1.679 3.553 1.00 0.00 N ATOM 86 CA GLY A 9 -9.975 -1.639 2.674 1.00 0.00 C ATOM 87 C GLY A 9 -9.824 -0.540 1.619 1.00 0.00 C ATOM 88 O GLY A 9 -9.623 -0.830 0.441 1.00 0.00 O ATOM 0 H GLY A 9 -9.034 -1.863 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.097 -2.605 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.877 -1.463 3.261 1.00 0.00 H new ATOM 92 N ALA A 10 -9.926 0.697 2.081 1.00 0.00 N ATOM 93 CA ALA A 10 -9.803 1.840 1.193 1.00 0.00 C ATOM 94 C ALA A 10 -8.616 1.624 0.252 1.00 0.00 C ATOM 95 O ALA A 10 -8.723 1.854 -0.952 1.00 0.00 O ATOM 96 CB ALA A 10 -9.664 3.119 2.022 1.00 0.00 C ATOM 0 H ALA A 10 -10.093 0.933 3.059 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.697 1.946 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.572 3.976 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.545 3.242 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.776 3.051 2.650 1.00 0.00 H new ATOM 102 N LEU A 11 -7.511 1.184 0.836 1.00 0.00 N ATOM 103 CA LEU A 11 -6.305 0.934 0.064 1.00 0.00 C ATOM 104 C LEU A 11 -6.602 -0.110 -1.014 1.00 0.00 C ATOM 105 O LEU A 11 -6.389 0.138 -2.199 1.00 0.00 O ATOM 106 CB LEU A 11 -5.148 0.551 0.989 1.00 0.00 C ATOM 107 CG LEU A 11 -4.332 -0.673 0.570 1.00 0.00 C ATOM 108 CD1 LEU A 11 -3.585 -0.413 -0.739 1.00 0.00 C ATOM 109 CD2 LEU A 11 -3.387 -1.112 1.691 1.00 0.00 C ATOM 0 H LEU A 11 -7.425 0.994 1.835 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.986 1.841 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.473 1.404 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.550 0.371 1.986 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.022 -1.497 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.013 -1.299 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.302 -0.185 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.907 0.431 -0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.819 -1.984 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.701 -0.299 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.968 -1.366 2.578 1.00 0.00 H new ATOM 121 N TYR A 12 -7.090 -1.257 -0.563 1.00 0.00 N ATOM 122 CA TYR A 12 -7.418 -2.340 -1.475 1.00 0.00 C ATOM 123 C TYR A 12 -8.307 -1.845 -2.617 1.00 0.00 C ATOM 124 O TYR A 12 -8.090 -2.199 -3.775 1.00 0.00 O ATOM 125 CB TYR A 12 -8.196 -3.366 -0.648 1.00 0.00 C ATOM 126 CG TYR A 12 -8.783 -4.513 -1.472 1.00 0.00 C ATOM 127 CD1 TYR A 12 -7.978 -5.223 -2.340 1.00 0.00 C ATOM 128 CD2 TYR A 12 -10.119 -4.838 -1.349 1.00 0.00 C ATOM 129 CE1 TYR A 12 -8.531 -6.303 -3.115 1.00 0.00 C ATOM 130 CE2 TYR A 12 -10.672 -5.918 -2.125 1.00 0.00 C ATOM 131 CZ TYR A 12 -9.850 -6.597 -2.970 1.00 0.00 C ATOM 132 OH TYR A 12 -10.373 -7.616 -3.703 1.00 0.00 O ATOM 0 H TYR A 12 -7.266 -1.460 0.421 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.513 -2.757 -1.916 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.535 -3.780 0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.005 -2.857 -0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.933 -4.968 -2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.750 -4.282 -0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.911 -6.867 -3.796 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.715 -6.183 -2.038 1.00 0.00 H new ATOM 0 HH TYR A 12 -11.326 -7.713 -3.495 1.00 0.00 H new ATOM 142 N LEU A 13 -9.289 -1.034 -2.252 1.00 0.00 N ATOM 143 CA LEU A 13 -10.211 -0.486 -3.232 1.00 0.00 C ATOM 144 C LEU A 13 -9.418 0.226 -4.330 1.00 0.00 C ATOM 145 O LEU A 13 -9.753 0.123 -5.509 1.00 0.00 O ATOM 146 CB LEU A 13 -11.252 0.403 -2.549 1.00 0.00 C ATOM 147 CG LEU A 13 -12.427 -0.323 -1.892 1.00 0.00 C ATOM 148 CD1 LEU A 13 -13.303 0.653 -1.103 1.00 0.00 C ATOM 149 CD2 LEU A 13 -13.234 -1.110 -2.927 1.00 0.00 C ATOM 0 H LEU A 13 -9.466 -0.743 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.775 -1.285 -3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.748 1.000 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.648 1.098 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.027 -1.045 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -14.131 0.111 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.707 1.129 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.696 1.415 -1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -14.063 -1.617 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.624 -0.426 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.591 -1.849 -3.405 1.00 0.00 H new ATOM 161 N SER A 14 -8.382 0.934 -3.903 1.00 0.00 N ATOM 162 CA SER A 14 -7.539 1.663 -4.835 1.00 0.00 C ATOM 163 C SER A 14 -6.811 0.684 -5.758 1.00 0.00 C ATOM 164 O SER A 14 -6.842 0.835 -6.978 1.00 0.00 O ATOM 165 CB SER A 14 -6.532 2.543 -4.094 1.00 0.00 C ATOM 166 OG SER A 14 -6.802 3.931 -4.273 1.00 0.00 O ATOM 0 H SER A 14 -8.108 1.018 -2.924 1.00 0.00 H new ATOM 0 HA SER A 14 -8.175 2.313 -5.435 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.555 2.303 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.526 2.321 -4.449 1.00 0.00 H new ATOM 0 HG SER A 14 -6.138 4.459 -3.783 1.00 0.00 H new ATOM 172 N MET A 15 -6.172 -0.298 -5.140 1.00 0.00 N ATOM 173 CA MET A 15 -5.436 -1.302 -5.890 1.00 0.00 C ATOM 174 C MET A 15 -6.255 -1.805 -7.081 1.00 0.00 C ATOM 175 O MET A 15 -5.695 -2.278 -8.068 1.00 0.00 O ATOM 176 CB MET A 15 -5.094 -2.477 -4.972 1.00 0.00 C ATOM 177 CG MET A 15 -3.997 -2.094 -3.977 1.00 0.00 C ATOM 178 SD MET A 15 -3.732 -3.426 -2.818 1.00 0.00 S ATOM 179 CE MET A 15 -1.949 -3.418 -2.740 1.00 0.00 C ATOM 0 H MET A 15 -6.149 -0.420 -4.128 1.00 0.00 H new ATOM 0 HA MET A 15 -4.520 -0.848 -6.268 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.986 -2.792 -4.431 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.767 -3.327 -5.570 1.00 0.00 H new ATOM 0 HG2 MET A 15 -3.072 -1.875 -4.510 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.280 -1.187 -3.443 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.625 -3.839 -1.789 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.546 -4.016 -3.558 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.586 -2.394 -2.826 1.00 0.00 H new ATOM 189 N LYS A 16 -7.568 -1.686 -6.948 1.00 0.00 N ATOM 190 CA LYS A 16 -8.469 -2.123 -8.000 1.00 0.00 C ATOM 191 C LYS A 16 -8.301 -1.215 -9.220 1.00 0.00 C ATOM 192 O LYS A 16 -8.222 -1.695 -10.350 1.00 0.00 O ATOM 193 CB LYS A 16 -9.906 -2.194 -7.480 1.00 0.00 C ATOM 194 CG LYS A 16 -10.005 -3.117 -6.264 1.00 0.00 C ATOM 195 CD LYS A 16 -10.036 -4.586 -6.691 1.00 0.00 C ATOM 196 CE LYS A 16 -11.440 -4.997 -7.139 1.00 0.00 C ATOM 197 NZ LYS A 16 -11.656 -4.640 -8.559 1.00 0.00 N ATOM 0 H LYS A 16 -8.029 -1.293 -6.127 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.219 -3.135 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.249 -1.195 -7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.565 -2.555 -8.270 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.156 -2.945 -5.602 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.905 -2.881 -5.696 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.329 -4.747 -7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.716 -5.216 -5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.572 -6.071 -7.004 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.186 -4.503 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.136 -5.424 -9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.245 -3.785 -8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.739 -4.459 -9.015 1.00 0.00 H new ATOM 211 N ASP A 17 -8.251 0.081 -8.950 1.00 0.00 N ATOM 212 CA ASP A 17 -8.093 1.061 -10.012 1.00 0.00 C ATOM 213 C ASP A 17 -6.838 0.731 -10.822 1.00 0.00 C ATOM 214 O ASP A 17 -5.725 0.788 -10.300 1.00 0.00 O ATOM 215 CB ASP A 17 -7.930 2.471 -9.440 1.00 0.00 C ATOM 216 CG ASP A 17 -8.622 3.576 -10.240 1.00 0.00 C ATOM 217 OD1 ASP A 17 -8.123 3.873 -11.347 1.00 0.00 O ATOM 218 OD2 ASP A 17 -9.633 4.100 -9.726 1.00 0.00 O ATOM 0 H ASP A 17 -8.317 0.476 -8.012 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.984 1.027 -10.638 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.320 2.481 -8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.866 2.701 -9.376 1.00 0.00 H new ATOM 223 N PRO A 18 -7.064 0.384 -12.117 1.00 0.00 N ATOM 224 CA PRO A 18 -5.964 0.045 -13.004 1.00 0.00 C ATOM 225 C PRO A 18 -5.203 1.299 -13.437 1.00 0.00 C ATOM 226 O PRO A 18 -4.209 1.209 -14.157 1.00 0.00 O ATOM 227 CB PRO A 18 -6.610 -0.689 -14.168 1.00 0.00 C ATOM 228 CG PRO A 18 -8.086 -0.329 -14.121 1.00 0.00 C ATOM 229 CD PRO A 18 -8.368 0.305 -12.769 1.00 0.00 C ATOM 0 HA PRO A 18 -5.213 -0.581 -12.523 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.164 -0.387 -15.116 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.468 -1.766 -14.078 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.336 0.362 -14.926 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.701 -1.218 -14.261 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.815 1.293 -12.880 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.066 -0.297 -12.187 1.00 0.00 H new ATOM 237 N GLU A 19 -5.697 2.441 -12.980 1.00 0.00 N ATOM 238 CA GLU A 19 -5.076 3.711 -13.311 1.00 0.00 C ATOM 239 C GLU A 19 -4.595 4.414 -12.040 1.00 0.00 C ATOM 240 O GLU A 19 -3.425 4.781 -11.934 1.00 0.00 O ATOM 241 CB GLU A 19 -6.037 4.603 -14.100 1.00 0.00 C ATOM 242 CG GLU A 19 -5.884 4.376 -15.606 1.00 0.00 C ATOM 243 CD GLU A 19 -6.209 5.651 -16.388 1.00 0.00 C ATOM 244 OE1 GLU A 19 -7.372 6.098 -16.286 1.00 0.00 O ATOM 245 OE2 GLU A 19 -5.288 6.149 -17.069 1.00 0.00 O ATOM 0 H GLU A 19 -6.521 2.512 -12.383 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.211 3.515 -13.945 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.063 4.393 -13.799 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.844 5.650 -13.865 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.865 4.059 -15.828 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.545 3.571 -15.925 1.00 0.00 H new ATOM 252 N LYS A 20 -5.521 4.580 -11.107 1.00 0.00 N ATOM 253 CA LYS A 20 -5.206 5.232 -9.848 1.00 0.00 C ATOM 254 C LYS A 20 -4.833 4.173 -8.809 1.00 0.00 C ATOM 255 O LYS A 20 -4.771 4.463 -7.615 1.00 0.00 O ATOM 256 CB LYS A 20 -6.357 6.142 -9.413 1.00 0.00 C ATOM 257 CG LYS A 20 -6.455 7.372 -10.318 1.00 0.00 C ATOM 258 CD LYS A 20 -6.099 8.647 -9.551 1.00 0.00 C ATOM 259 CE LYS A 20 -7.266 9.635 -9.557 1.00 0.00 C ATOM 260 NZ LYS A 20 -7.481 10.193 -8.203 1.00 0.00 N ATOM 0 H LYS A 20 -6.490 4.274 -11.198 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.340 5.884 -9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.295 5.588 -9.444 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.206 6.457 -8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.784 7.256 -11.169 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.466 7.454 -10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.836 8.396 -8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.222 9.113 -10.000 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.063 10.442 -10.261 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.172 9.134 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.277 10.862 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.696 9.421 -7.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.621 10.688 -7.891 1.00 0.00 H new ATOM 274 N GLY A 21 -4.595 2.966 -9.301 1.00 0.00 N ATOM 275 CA GLY A 21 -4.230 1.861 -8.430 1.00 0.00 C ATOM 276 C GLY A 21 -3.117 1.016 -9.054 1.00 0.00 C ATOM 277 O GLY A 21 -2.332 1.514 -9.858 1.00 0.00 O ATOM 0 H GLY A 21 -4.648 2.729 -10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.901 2.247 -7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.104 1.237 -8.243 1.00 0.00 H new ATOM 281 N ILE A 22 -3.086 -0.248 -8.658 1.00 0.00 N ATOM 282 CA ILE A 22 -2.083 -1.167 -9.168 1.00 0.00 C ATOM 283 C ILE A 22 -2.454 -1.581 -10.593 1.00 0.00 C ATOM 284 O ILE A 22 -3.629 -1.586 -10.956 1.00 0.00 O ATOM 285 CB ILE A 22 -1.903 -2.348 -8.212 1.00 0.00 C ATOM 286 CG1 ILE A 22 -0.503 -2.345 -7.594 1.00 0.00 C ATOM 287 CG2 ILE A 22 -2.218 -3.672 -8.910 1.00 0.00 C ATOM 288 CD1 ILE A 22 -0.399 -3.376 -6.468 1.00 0.00 C ATOM 0 H ILE A 22 -3.739 -0.657 -7.990 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.110 -0.678 -9.221 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.616 -2.237 -7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.238 -2.564 -8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.275 -1.352 -7.205 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.082 -4.495 -8.208 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.250 -3.662 -9.261 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.547 -3.805 -9.759 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.606 -3.354 -6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.125 -3.140 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.604 -4.370 -6.865 1.00 0.00 H new ATOM 300 N LYS A 23 -1.429 -1.918 -11.363 1.00 0.00 N ATOM 301 CA LYS A 23 -1.633 -2.333 -12.740 1.00 0.00 C ATOM 302 C LYS A 23 -2.016 -3.814 -12.772 1.00 0.00 C ATOM 303 O LYS A 23 -2.037 -4.475 -11.735 1.00 0.00 O ATOM 304 CB LYS A 23 -0.404 -1.997 -13.588 1.00 0.00 C ATOM 305 CG LYS A 23 -0.588 -0.665 -14.317 1.00 0.00 C ATOM 306 CD LYS A 23 -0.674 -0.875 -15.830 1.00 0.00 C ATOM 307 CE LYS A 23 -0.276 0.396 -16.584 1.00 0.00 C ATOM 308 NZ LYS A 23 -1.198 0.636 -17.717 1.00 0.00 N ATOM 0 H LYS A 23 -0.455 -1.912 -11.059 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.460 -1.781 -13.185 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.479 -1.948 -12.951 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.230 -2.792 -14.314 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.494 -0.174 -13.962 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.245 -0.001 -14.085 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.021 -1.696 -16.124 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.689 -1.162 -16.104 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.294 1.249 -15.906 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.746 0.303 -16.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.914 1.502 -18.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.161 -0.171 -18.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.168 0.746 -17.358 1.00 0.00 H new ATOM 322 N GLU A 24 -2.308 -4.291 -13.973 1.00 0.00 N ATOM 323 CA GLU A 24 -2.689 -5.682 -14.153 1.00 0.00 C ATOM 324 C GLU A 24 -2.093 -6.231 -15.451 1.00 0.00 C ATOM 325 O GLU A 24 -2.627 -5.991 -16.533 1.00 0.00 O ATOM 326 CB GLU A 24 -4.211 -5.840 -14.138 1.00 0.00 C ATOM 327 CG GLU A 24 -4.800 -5.348 -12.814 1.00 0.00 C ATOM 328 CD GLU A 24 -6.266 -5.765 -12.678 1.00 0.00 C ATOM 329 OE1 GLU A 24 -6.490 -6.921 -12.259 1.00 0.00 O ATOM 330 OE2 GLU A 24 -7.128 -4.919 -12.995 1.00 0.00 O ATOM 0 H GLU A 24 -2.289 -3.739 -14.831 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.289 -6.259 -13.319 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.647 -5.279 -14.965 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.473 -6.887 -14.290 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.224 -5.754 -11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.720 -4.262 -12.757 1.00 0.00 H new ATOM 337 N LEU A 25 -0.996 -6.958 -15.299 1.00 0.00 N ATOM 338 CA LEU A 25 -0.323 -7.544 -16.446 1.00 0.00 C ATOM 339 C LEU A 25 -0.268 -9.064 -16.279 1.00 0.00 C ATOM 340 O LEU A 25 -0.213 -9.567 -15.157 1.00 0.00 O ATOM 341 CB LEU A 25 1.049 -6.898 -16.649 1.00 0.00 C ATOM 342 CG LEU A 25 1.067 -5.370 -16.723 1.00 0.00 C ATOM 343 CD1 LEU A 25 0.240 -4.869 -17.909 1.00 0.00 C ATOM 344 CD2 LEU A 25 0.607 -4.751 -15.402 1.00 0.00 C ATOM 0 H LEU A 25 -0.557 -7.155 -14.400 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.883 -7.344 -17.359 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.700 -7.210 -15.832 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.481 -7.292 -17.569 1.00 0.00 H new ATOM 0 HG LEU A 25 2.095 -5.048 -16.888 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.269 -3.780 -17.939 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.653 -5.269 -18.835 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.792 -5.201 -17.799 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.629 -3.664 -15.482 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.409 -5.078 -15.181 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.273 -5.069 -14.600 1.00 0.00 H new ATOM 356 N ASN A 26 -0.285 -9.753 -17.410 1.00 0.00 N ATOM 357 CA ASN A 26 -0.239 -11.205 -17.403 1.00 0.00 C ATOM 358 C ASN A 26 1.198 -11.663 -17.146 1.00 0.00 C ATOM 359 O ASN A 26 2.148 -11.022 -17.595 1.00 0.00 O ATOM 360 CB ASN A 26 -0.684 -11.777 -18.750 1.00 0.00 C ATOM 361 CG ASN A 26 -0.888 -13.291 -18.662 1.00 0.00 C ATOM 362 OD1 ASN A 26 -1.975 -13.783 -18.406 1.00 0.00 O ATOM 363 ND2 ASN A 26 0.214 -14.000 -18.889 1.00 0.00 N ATOM 0 H ASN A 26 -0.330 -9.332 -18.338 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.911 -11.560 -16.622 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.612 -11.299 -19.063 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.064 -11.551 -19.510 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.181 -15.019 -18.854 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.092 -13.525 -19.098 1.00 0.00 H new ATOM 370 N LEU A 27 1.313 -12.769 -16.426 1.00 0.00 N ATOM 371 CA LEU A 27 2.618 -13.321 -16.104 1.00 0.00 C ATOM 372 C LEU A 27 2.588 -14.839 -16.298 1.00 0.00 C ATOM 373 O LEU A 27 1.840 -15.540 -15.618 1.00 0.00 O ATOM 374 CB LEU A 27 3.052 -12.889 -14.702 1.00 0.00 C ATOM 375 CG LEU A 27 3.041 -11.383 -14.431 1.00 0.00 C ATOM 376 CD1 LEU A 27 2.653 -11.090 -12.981 1.00 0.00 C ATOM 377 CD2 LEU A 27 4.383 -10.749 -14.804 1.00 0.00 C ATOM 0 H LEU A 27 0.523 -13.298 -16.056 1.00 0.00 H new ATOM 0 HA LEU A 27 3.375 -12.928 -16.782 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.399 -13.374 -13.976 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.060 -13.263 -14.524 1.00 0.00 H new ATOM 0 HG LEU A 27 2.282 -10.927 -15.066 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.653 -10.013 -12.815 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.658 -11.488 -12.783 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.372 -11.560 -12.310 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.348 -9.678 -14.602 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.177 -11.205 -14.213 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.580 -10.912 -15.864 1.00 0.00 H new ATOM 482 N VAL A 33 -1.234 -19.237 -17.968 1.00 0.00 N ATOM 483 CA VAL A 33 -1.322 -17.852 -18.399 1.00 0.00 C ATOM 484 C VAL A 33 -2.101 -17.046 -17.358 1.00 0.00 C ATOM 485 O VAL A 33 -3.290 -16.783 -17.533 1.00 0.00 O ATOM 486 CB VAL A 33 -1.939 -17.777 -19.797 1.00 0.00 C ATOM 487 CG1 VAL A 33 -2.104 -16.324 -20.247 1.00 0.00 C ATOM 488 CG2 VAL A 33 -1.109 -18.573 -20.806 1.00 0.00 C ATOM 0 HA VAL A 33 -0.328 -17.412 -18.473 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.931 -18.227 -19.750 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.545 -16.300 -21.244 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.756 -15.799 -19.549 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.129 -15.837 -20.269 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.569 -18.503 -21.792 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.099 -18.166 -20.848 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.067 -19.618 -20.499 1.00 0.00 H new ATOM 498 N PHE A 34 -1.400 -16.677 -16.296 1.00 0.00 N ATOM 499 CA PHE A 34 -2.011 -15.907 -15.226 1.00 0.00 C ATOM 500 C PHE A 34 -2.305 -14.476 -15.680 1.00 0.00 C ATOM 501 O PHE A 34 -1.397 -13.652 -15.776 1.00 0.00 O ATOM 502 CB PHE A 34 -1.006 -15.867 -14.073 1.00 0.00 C ATOM 503 CG PHE A 34 -0.725 -17.234 -13.445 1.00 0.00 C ATOM 504 CD1 PHE A 34 -1.709 -17.887 -12.770 1.00 0.00 C ATOM 505 CD2 PHE A 34 0.508 -17.795 -13.562 1.00 0.00 C ATOM 506 CE1 PHE A 34 -1.448 -19.156 -12.187 1.00 0.00 C ATOM 507 CE2 PHE A 34 0.769 -19.064 -12.979 1.00 0.00 C ATOM 508 CZ PHE A 34 -0.215 -19.717 -12.304 1.00 0.00 C ATOM 0 H PHE A 34 -0.414 -16.897 -16.154 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.953 -16.367 -14.928 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.069 -15.446 -14.436 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.380 -15.194 -13.301 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.688 -17.441 -12.677 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.289 -17.276 -14.098 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.229 -19.675 -11.651 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.748 -19.510 -13.072 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.017 -20.682 -11.861 1.00 0.00 H new ATOM 518 N ASN A 35 -3.578 -14.224 -15.947 1.00 0.00 N ATOM 519 CA ASN A 35 -4.003 -12.906 -16.389 1.00 0.00 C ATOM 520 C ASN A 35 -4.350 -12.052 -15.168 1.00 0.00 C ATOM 521 O ASN A 35 -4.621 -12.581 -14.092 1.00 0.00 O ATOM 522 CB ASN A 35 -5.250 -12.997 -17.272 1.00 0.00 C ATOM 523 CG ASN A 35 -4.868 -13.130 -18.747 1.00 0.00 C ATOM 524 OD1 ASN A 35 -4.393 -12.200 -19.379 1.00 0.00 O ATOM 525 ND2 ASN A 35 -5.100 -14.335 -19.260 1.00 0.00 N ATOM 0 H ASN A 35 -4.329 -14.910 -15.866 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.188 -12.462 -16.961 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.852 -13.854 -16.970 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.866 -12.109 -17.131 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.878 -14.524 -20.237 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.500 -15.070 -18.676 1.00 0.00 H new ATOM 532 N HIS A 36 -4.331 -10.743 -15.377 1.00 0.00 N ATOM 533 CA HIS A 36 -4.640 -9.810 -14.307 1.00 0.00 C ATOM 534 C HIS A 36 -3.966 -10.271 -13.014 1.00 0.00 C ATOM 535 O HIS A 36 -4.637 -10.718 -12.085 1.00 0.00 O ATOM 536 CB HIS A 36 -6.153 -9.636 -14.159 1.00 0.00 C ATOM 537 CG HIS A 36 -6.854 -9.242 -15.436 1.00 0.00 C ATOM 538 ND1 HIS A 36 -6.645 -8.025 -16.062 1.00 0.00 N ATOM 539 CD2 HIS A 36 -7.762 -9.916 -16.199 1.00 0.00 C ATOM 540 CE1 HIS A 36 -7.399 -7.980 -17.151 1.00 0.00 C ATOM 541 NE2 HIS A 36 -8.091 -9.152 -17.233 1.00 0.00 N ATOM 0 H HIS A 36 -4.106 -10.307 -16.271 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.242 -8.825 -14.551 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.582 -10.570 -13.795 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.349 -8.878 -13.401 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.148 -10.904 -15.996 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.455 -7.159 -17.851 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.753 -9.401 -17.968 1.00 0.00 H new ATOM 549 N CYS A 37 -2.647 -10.146 -12.994 1.00 0.00 N ATOM 550 CA CYS A 37 -1.875 -10.545 -11.830 1.00 0.00 C ATOM 551 C CYS A 37 -0.930 -9.398 -11.464 1.00 0.00 C ATOM 552 O CYS A 37 -0.711 -8.491 -12.266 1.00 0.00 O ATOM 553 CB CYS A 37 -1.118 -11.852 -12.073 1.00 0.00 C ATOM 554 SG CYS A 37 -2.170 -13.278 -11.614 1.00 0.00 S ATOM 0 H CYS A 37 -2.093 -9.774 -13.766 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.548 -10.742 -10.995 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.829 -11.925 -13.121 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.199 -11.864 -11.487 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.230 -13.296 -12.367 1.00 0.00 H new ATOM 560 N LEU A 38 -0.396 -9.476 -10.255 1.00 0.00 N ATOM 561 CA LEU A 38 0.520 -8.456 -9.774 1.00 0.00 C ATOM 562 C LEU A 38 1.845 -9.112 -9.378 1.00 0.00 C ATOM 563 O LEU A 38 2.184 -10.184 -9.878 1.00 0.00 O ATOM 564 CB LEU A 38 -0.124 -7.645 -8.648 1.00 0.00 C ATOM 565 CG LEU A 38 -1.654 -7.646 -8.611 1.00 0.00 C ATOM 566 CD1 LEU A 38 -2.170 -7.215 -7.237 1.00 0.00 C ATOM 567 CD2 LEU A 38 -2.230 -6.783 -9.736 1.00 0.00 C ATOM 0 H LEU A 38 -0.580 -10.230 -9.593 1.00 0.00 H new ATOM 0 HA LEU A 38 0.742 -7.740 -10.565 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.243 -8.028 -7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.217 -6.613 -8.729 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.999 -8.666 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.260 -7.224 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.802 -7.905 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.816 -6.208 -7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.319 -6.801 -9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.878 -5.757 -9.624 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.904 -7.175 -10.699 1.00 0.00 H new ATOM 579 N THR A 39 2.557 -8.441 -8.485 1.00 0.00 N ATOM 580 CA THR A 39 3.837 -8.945 -8.017 1.00 0.00 C ATOM 581 C THR A 39 4.221 -8.279 -6.695 1.00 0.00 C ATOM 582 O THR A 39 4.066 -7.069 -6.537 1.00 0.00 O ATOM 583 CB THR A 39 4.866 -8.728 -9.128 1.00 0.00 C ATOM 584 OG1 THR A 39 4.511 -7.467 -9.689 1.00 0.00 O ATOM 585 CG2 THR A 39 4.693 -9.712 -10.287 1.00 0.00 C ATOM 0 H THR A 39 2.272 -7.553 -8.073 1.00 0.00 H new ATOM 0 HA THR A 39 3.787 -10.013 -7.805 1.00 0.00 H new ATOM 0 HB THR A 39 5.870 -8.825 -8.716 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.129 -7.247 -10.417 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.448 -9.514 -11.048 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.807 -10.732 -9.919 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.700 -9.592 -10.721 1.00 0.00 H new ATOM 593 N GLY A 40 4.716 -9.098 -5.778 1.00 0.00 N ATOM 594 CA GLY A 40 5.124 -8.603 -4.474 1.00 0.00 C ATOM 595 C GLY A 40 6.129 -7.458 -4.612 1.00 0.00 C ATOM 596 O GLY A 40 6.240 -6.614 -3.724 1.00 0.00 O ATOM 0 H GLY A 40 4.844 -10.101 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.249 -8.259 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.568 -9.414 -3.896 1.00 0.00 H new ATOM 600 N SER A 41 6.837 -7.466 -5.732 1.00 0.00 N ATOM 601 CA SER A 41 7.830 -6.439 -5.998 1.00 0.00 C ATOM 602 C SER A 41 7.159 -5.210 -6.615 1.00 0.00 C ATOM 603 O SER A 41 7.530 -4.078 -6.311 1.00 0.00 O ATOM 604 CB SER A 41 8.931 -6.963 -6.922 1.00 0.00 C ATOM 605 OG SER A 41 10.087 -6.130 -6.900 1.00 0.00 O ATOM 0 H SER A 41 6.743 -8.168 -6.466 1.00 0.00 H new ATOM 0 HA SER A 41 8.292 -6.157 -5.052 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.207 -7.974 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.549 -7.027 -7.941 1.00 0.00 H new ATOM 0 HG SER A 41 9.917 -5.320 -7.424 1.00 0.00 H new ATOM 611 N GLY A 42 6.183 -5.476 -7.471 1.00 0.00 N ATOM 612 CA GLY A 42 5.457 -4.406 -8.134 1.00 0.00 C ATOM 613 C GLY A 42 4.453 -3.753 -7.182 1.00 0.00 C ATOM 614 O GLY A 42 4.306 -2.532 -7.170 1.00 0.00 O ATOM 0 H GLY A 42 5.878 -6.417 -7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.159 -3.656 -8.498 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.934 -4.802 -9.005 1.00 0.00 H new ATOM 618 N VAL A 43 3.786 -4.597 -6.407 1.00 0.00 N ATOM 619 CA VAL A 43 2.799 -4.118 -5.454 1.00 0.00 C ATOM 620 C VAL A 43 3.450 -3.089 -4.527 1.00 0.00 C ATOM 621 O VAL A 43 2.969 -1.962 -4.410 1.00 0.00 O ATOM 622 CB VAL A 43 2.185 -5.298 -4.700 1.00 0.00 C ATOM 623 CG1 VAL A 43 1.602 -6.326 -5.671 1.00 0.00 C ATOM 624 CG2 VAL A 43 3.209 -5.945 -3.766 1.00 0.00 C ATOM 0 H VAL A 43 3.910 -5.609 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 43 1.980 -3.618 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 43 1.368 -4.915 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.172 -7.155 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.826 -5.856 -6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.392 -6.701 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.746 -6.781 -3.242 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.056 -6.306 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.555 -5.209 -3.040 1.00 0.00 H new ATOM 634 N ILE A 44 4.533 -3.512 -3.892 1.00 0.00 N ATOM 635 CA ILE A 44 5.253 -2.642 -2.979 1.00 0.00 C ATOM 636 C ILE A 44 5.632 -1.350 -3.706 1.00 0.00 C ATOM 637 O ILE A 44 5.525 -0.262 -3.141 1.00 0.00 O ATOM 638 CB ILE A 44 6.449 -3.377 -2.370 1.00 0.00 C ATOM 639 CG1 ILE A 44 5.997 -4.638 -1.629 1.00 0.00 C ATOM 640 CG2 ILE A 44 7.265 -2.446 -1.471 1.00 0.00 C ATOM 641 CD1 ILE A 44 7.200 -5.478 -1.195 1.00 0.00 C ATOM 0 H ILE A 44 4.929 -4.447 -3.992 1.00 0.00 H new ATOM 0 HA ILE A 44 4.618 -2.362 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 44 7.103 -3.696 -3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.409 -4.359 -0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.348 -5.231 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.109 -2.993 -1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.634 -1.605 -2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.634 -2.076 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.852 -6.368 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.772 -5.775 -2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.834 -4.890 -0.531 1.00 0.00 H new ATOM 653 N ASP A 45 6.066 -1.511 -4.947 1.00 0.00 N ATOM 654 CA ASP A 45 6.460 -0.371 -5.756 1.00 0.00 C ATOM 655 C ASP A 45 5.297 0.619 -5.837 1.00 0.00 C ATOM 656 O ASP A 45 5.507 1.831 -5.832 1.00 0.00 O ATOM 657 CB ASP A 45 6.813 -0.803 -7.181 1.00 0.00 C ATOM 658 CG ASP A 45 8.026 -0.095 -7.789 1.00 0.00 C ATOM 659 OD1 ASP A 45 8.441 0.926 -7.201 1.00 0.00 O ATOM 660 OD2 ASP A 45 8.510 -0.592 -8.829 1.00 0.00 O ATOM 0 H ASP A 45 6.153 -2.415 -5.412 1.00 0.00 H new ATOM 0 HA ASP A 45 7.333 0.087 -5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.999 -1.877 -7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.949 -0.627 -7.822 1.00 0.00 H new ATOM 665 N TRP A 46 4.095 0.066 -5.909 1.00 0.00 N ATOM 666 CA TRP A 46 2.898 0.885 -5.991 1.00 0.00 C ATOM 667 C TRP A 46 2.692 1.558 -4.632 1.00 0.00 C ATOM 668 O TRP A 46 2.228 2.695 -4.562 1.00 0.00 O ATOM 669 CB TRP A 46 1.693 0.053 -6.434 1.00 0.00 C ATOM 670 CG TRP A 46 0.373 0.827 -6.448 1.00 0.00 C ATOM 671 CD1 TRP A 46 -0.161 1.529 -7.456 1.00 0.00 C ATOM 672 CD2 TRP A 46 -0.564 0.948 -5.357 1.00 0.00 C ATOM 673 NE1 TRP A 46 -1.368 2.092 -7.097 1.00 0.00 N ATOM 674 CE2 TRP A 46 -1.621 1.728 -5.779 1.00 0.00 C ATOM 675 CE3 TRP A 46 -0.519 0.417 -4.056 1.00 0.00 C ATOM 676 CZ2 TRP A 46 -2.713 2.047 -4.963 1.00 0.00 C ATOM 677 CZ3 TRP A 46 -1.618 0.745 -3.252 1.00 0.00 C ATOM 678 CH2 TRP A 46 -2.690 1.529 -3.662 1.00 0.00 C ATOM 0 H TRP A 46 3.925 -0.940 -5.912 1.00 0.00 H new ATOM 0 HA TRP A 46 3.012 1.659 -6.750 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.883 -0.339 -7.433 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.592 -0.805 -5.769 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.296 1.640 -8.428 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.965 2.669 -7.689 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.298 -0.195 -3.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.529 2.659 -5.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.634 0.362 -2.242 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.501 1.738 -2.981 1.00 0.00 H new ATOM 689 N LEU A 47 3.047 0.827 -3.586 1.00 0.00 N ATOM 690 CA LEU A 47 2.907 1.339 -2.233 1.00 0.00 C ATOM 691 C LEU A 47 3.771 2.592 -2.075 1.00 0.00 C ATOM 692 O LEU A 47 3.287 3.631 -1.627 1.00 0.00 O ATOM 693 CB LEU A 47 3.218 0.244 -1.211 1.00 0.00 C ATOM 694 CG LEU A 47 2.333 -1.003 -1.272 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.890 -2.115 -0.382 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.882 -0.663 -0.924 1.00 0.00 C ATOM 0 H LEU A 47 3.431 -0.116 -3.648 1.00 0.00 H new ATOM 0 HA LEU A 47 1.876 1.636 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.255 -0.064 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.138 0.674 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 47 2.340 -1.377 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.242 -2.989 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.892 -2.382 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.933 -1.768 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.274 -1.566 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.837 -0.251 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.500 0.071 -1.633 1.00 0.00 H new ATOM 708 N VAL A 48 5.033 2.452 -2.450 1.00 0.00 N ATOM 709 CA VAL A 48 5.969 3.560 -2.356 1.00 0.00 C ATOM 710 C VAL A 48 5.592 4.629 -3.383 1.00 0.00 C ATOM 711 O VAL A 48 5.554 5.816 -3.063 1.00 0.00 O ATOM 712 CB VAL A 48 7.402 3.050 -2.521 1.00 0.00 C ATOM 713 CG1 VAL A 48 8.373 4.210 -2.751 1.00 0.00 C ATOM 714 CG2 VAL A 48 7.827 2.208 -1.317 1.00 0.00 C ATOM 0 H VAL A 48 5.430 1.588 -2.820 1.00 0.00 H new ATOM 0 HA VAL A 48 5.915 4.023 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 48 7.431 2.410 -3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.385 3.821 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.088 4.750 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.339 4.887 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.849 1.858 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.774 2.814 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.161 1.351 -1.219 1.00 0.00 H new ATOM 724 N SER A 49 5.324 4.170 -4.596 1.00 0.00 N ATOM 725 CA SER A 49 4.952 5.073 -5.673 1.00 0.00 C ATOM 726 C SER A 49 3.926 6.091 -5.171 1.00 0.00 C ATOM 727 O SER A 49 4.112 7.296 -5.333 1.00 0.00 O ATOM 728 CB SER A 49 4.392 4.301 -6.869 1.00 0.00 C ATOM 729 OG SER A 49 5.355 4.157 -7.910 1.00 0.00 O ATOM 0 H SER A 49 5.357 3.185 -4.858 1.00 0.00 H new ATOM 0 HA SER A 49 5.847 5.601 -6.002 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.062 3.315 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.514 4.819 -7.256 1.00 0.00 H new ATOM 0 HG SER A 49 4.960 3.657 -8.655 1.00 0.00 H new ATOM 735 N ASN A 50 2.866 5.569 -4.571 1.00 0.00 N ATOM 736 CA ASN A 50 1.811 6.418 -4.044 1.00 0.00 C ATOM 737 C ASN A 50 2.274 7.040 -2.725 1.00 0.00 C ATOM 738 O ASN A 50 1.752 8.071 -2.305 1.00 0.00 O ATOM 739 CB ASN A 50 0.542 5.610 -3.767 1.00 0.00 C ATOM 740 CG ASN A 50 -0.366 5.575 -4.998 1.00 0.00 C ATOM 741 OD1 ASN A 50 -1.160 6.469 -5.242 1.00 0.00 O ATOM 742 ND2 ASN A 50 -0.206 4.495 -5.757 1.00 0.00 N ATOM 0 H ASN A 50 2.715 4.569 -4.438 1.00 0.00 H new ATOM 0 HA ASN A 50 1.594 7.187 -4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.810 4.593 -3.479 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.004 6.048 -2.926 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.766 4.377 -6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.477 3.784 -5.495 1.00 0.00 H new ATOM 749 N LYS A 51 3.248 6.387 -2.109 1.00 0.00 N ATOM 750 CA LYS A 51 3.787 6.863 -0.847 1.00 0.00 C ATOM 751 C LYS A 51 2.897 6.375 0.299 1.00 0.00 C ATOM 752 O LYS A 51 2.443 7.171 1.119 1.00 0.00 O ATOM 753 CB LYS A 51 3.968 8.382 -0.880 1.00 0.00 C ATOM 754 CG LYS A 51 4.627 8.826 -2.187 1.00 0.00 C ATOM 755 CD LYS A 51 6.145 8.929 -2.028 1.00 0.00 C ATOM 756 CE LYS A 51 6.859 8.550 -3.327 1.00 0.00 C ATOM 757 NZ LYS A 51 7.935 9.520 -3.629 1.00 0.00 N ATOM 0 H LYS A 51 3.678 5.532 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 51 4.782 6.450 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.999 8.870 -0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.579 8.698 -0.035 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.388 8.116 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.223 9.791 -2.492 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.416 9.945 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.475 8.273 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.279 7.548 -3.239 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.143 8.525 -4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.409 9.248 -4.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.526 10.471 -3.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.627 9.524 -2.852 1.00 0.00 H new ATOM 771 N LEU A 52 2.676 5.069 0.318 1.00 0.00 N ATOM 772 CA LEU A 52 1.849 4.465 1.349 1.00 0.00 C ATOM 773 C LEU A 52 2.700 4.208 2.594 1.00 0.00 C ATOM 774 O LEU A 52 2.190 4.221 3.713 1.00 0.00 O ATOM 775 CB LEU A 52 1.151 3.214 0.812 1.00 0.00 C ATOM 776 CG LEU A 52 -0.231 3.431 0.191 1.00 0.00 C ATOM 777 CD1 LEU A 52 -0.827 2.109 -0.295 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.162 4.157 1.164 1.00 0.00 C ATOM 0 H LEU A 52 3.055 4.412 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 52 1.050 5.146 1.643 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.796 2.756 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.052 2.498 1.628 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.116 4.073 -0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.809 2.291 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.172 1.669 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.926 1.423 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.137 4.298 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.276 3.563 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.737 5.128 1.418 1.00 0.00 H new ATOM 790 N VAL A 53 3.984 3.980 2.357 1.00 0.00 N ATOM 791 CA VAL A 53 4.911 3.720 3.445 1.00 0.00 C ATOM 792 C VAL A 53 6.103 4.672 3.332 1.00 0.00 C ATOM 793 O VAL A 53 6.123 5.548 2.468 1.00 0.00 O ATOM 794 CB VAL A 53 5.322 2.246 3.442 1.00 0.00 C ATOM 795 CG1 VAL A 53 4.245 1.375 4.092 1.00 0.00 C ATOM 796 CG2 VAL A 53 5.631 1.766 2.022 1.00 0.00 C ATOM 0 H VAL A 53 4.404 3.970 1.427 1.00 0.00 H new ATOM 0 HA VAL A 53 4.433 3.909 4.406 1.00 0.00 H new ATOM 0 HB VAL A 53 6.232 2.151 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.562 0.332 4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.093 1.693 5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.311 1.478 3.539 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.920 0.715 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.745 1.883 1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.448 2.357 1.608 1.00 0.00 H new ATOM 806 N ARG A 54 7.068 4.470 4.218 1.00 0.00 N ATOM 807 CA ARG A 54 8.260 5.300 4.228 1.00 0.00 C ATOM 808 C ARG A 54 9.395 4.609 3.469 1.00 0.00 C ATOM 809 O ARG A 54 10.269 5.272 2.914 1.00 0.00 O ATOM 810 CB ARG A 54 8.716 5.590 5.660 1.00 0.00 C ATOM 811 CG ARG A 54 7.852 6.678 6.301 1.00 0.00 C ATOM 812 CD ARG A 54 8.526 8.047 6.194 1.00 0.00 C ATOM 813 NE ARG A 54 7.578 9.111 6.596 1.00 0.00 N ATOM 814 CZ ARG A 54 7.219 9.358 7.863 1.00 0.00 C ATOM 815 NH1 ARG A 54 7.727 8.619 8.859 1.00 0.00 N ATOM 816 NH2 ARG A 54 6.353 10.343 8.133 1.00 0.00 N ATOM 0 H ARG A 54 7.048 3.744 4.934 1.00 0.00 H new ATOM 0 HA ARG A 54 8.012 6.242 3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.660 4.678 6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.760 5.904 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.878 6.709 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.675 6.437 7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.410 8.077 6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.863 8.216 5.171 1.00 0.00 H new ATOM 0 HE ARG A 54 7.173 9.692 5.862 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.387 7.869 8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.454 8.807 9.824 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.967 10.905 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.079 10.531 9.097 1.00 0.00 H new ATOM 830 N ASN A 55 9.343 3.285 3.468 1.00 0.00 N ATOM 831 CA ASN A 55 10.356 2.497 2.786 1.00 0.00 C ATOM 832 C ASN A 55 9.719 1.216 2.245 1.00 0.00 C ATOM 833 O ASN A 55 8.579 0.896 2.577 1.00 0.00 O ATOM 834 CB ASN A 55 11.481 2.098 3.743 1.00 0.00 C ATOM 835 CG ASN A 55 10.916 1.593 5.073 1.00 0.00 C ATOM 836 OD1 ASN A 55 11.040 0.432 5.428 1.00 0.00 O ATOM 837 ND2 ASN A 55 10.291 2.526 5.785 1.00 0.00 N ATOM 0 H ASN A 55 8.615 2.738 3.928 1.00 0.00 H new ATOM 0 HA ASN A 55 10.768 3.103 1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.094 1.321 3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.132 2.954 3.922 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.879 2.288 6.687 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.223 3.479 5.429 1.00 0.00 H new ATOM 844 N ARG A 56 10.484 0.516 1.419 1.00 0.00 N ATOM 845 CA ARG A 56 10.009 -0.723 0.828 1.00 0.00 C ATOM 846 C ARG A 56 9.678 -1.740 1.922 1.00 0.00 C ATOM 847 O ARG A 56 8.648 -2.410 1.861 1.00 0.00 O ATOM 848 CB ARG A 56 11.056 -1.321 -0.115 1.00 0.00 C ATOM 849 CG ARG A 56 10.395 -1.920 -1.358 1.00 0.00 C ATOM 850 CD ARG A 56 11.296 -1.767 -2.585 1.00 0.00 C ATOM 851 NE ARG A 56 10.569 -2.191 -3.802 1.00 0.00 N ATOM 852 CZ ARG A 56 10.508 -3.456 -4.239 1.00 0.00 C ATOM 853 NH1 ARG A 56 11.130 -4.430 -3.560 1.00 0.00 N ATOM 854 NH2 ARG A 56 9.825 -3.748 -5.354 1.00 0.00 N ATOM 0 H ARG A 56 11.429 0.784 1.146 1.00 0.00 H new ATOM 0 HA ARG A 56 9.110 -0.494 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.766 -0.549 -0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.623 -2.092 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.182 -2.975 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.440 -1.427 -1.540 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.615 -0.730 -2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.197 -2.368 -2.462 1.00 0.00 H new ATOM 0 HE ARG A 56 10.084 -1.475 -4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.650 -4.208 -2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.084 -5.393 -3.892 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.351 -3.007 -5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.779 -4.711 -5.686 1.00 0.00 H new ATOM 868 N GLN A 57 10.572 -1.824 2.897 1.00 0.00 N ATOM 869 CA GLN A 57 10.387 -2.748 4.003 1.00 0.00 C ATOM 870 C GLN A 57 8.958 -2.655 4.541 1.00 0.00 C ATOM 871 O GLN A 57 8.211 -3.631 4.503 1.00 0.00 O ATOM 872 CB GLN A 57 11.409 -2.487 5.112 1.00 0.00 C ATOM 873 CG GLN A 57 11.800 -3.788 5.815 1.00 0.00 C ATOM 874 CD GLN A 57 10.683 -4.267 6.744 1.00 0.00 C ATOM 875 OE1 GLN A 57 9.904 -5.147 6.419 1.00 0.00 O ATOM 876 NE2 GLN A 57 10.649 -3.640 7.917 1.00 0.00 N ATOM 0 H GLN A 57 11.426 -1.268 2.944 1.00 0.00 H new ATOM 0 HA GLN A 57 10.549 -3.761 3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.297 -2.017 4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.993 -1.788 5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 57 12.015 -4.556 5.072 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.714 -3.635 6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.332 -2.911 8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.940 -3.888 8.607 1.00 0.00 H new ATOM 885 N GLU A 58 8.621 -1.471 5.031 1.00 0.00 N ATOM 886 CA GLU A 58 7.294 -1.237 5.576 1.00 0.00 C ATOM 887 C GLU A 58 6.229 -1.838 4.656 1.00 0.00 C ATOM 888 O GLU A 58 5.298 -2.492 5.124 1.00 0.00 O ATOM 889 CB GLU A 58 7.048 0.257 5.797 1.00 0.00 C ATOM 890 CG GLU A 58 6.813 0.561 7.278 1.00 0.00 C ATOM 891 CD GLU A 58 6.248 1.970 7.466 1.00 0.00 C ATOM 892 OE1 GLU A 58 5.005 2.092 7.431 1.00 0.00 O ATOM 893 OE2 GLU A 58 7.073 2.893 7.640 1.00 0.00 O ATOM 0 H GLU A 58 9.244 -0.664 5.062 1.00 0.00 H new ATOM 0 HA GLU A 58 7.228 -1.730 6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.904 0.827 5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.184 0.577 5.215 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.122 -0.170 7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.751 0.465 7.826 1.00 0.00 H new ATOM 900 N GLY A 59 6.401 -1.594 3.365 1.00 0.00 N ATOM 901 CA GLY A 59 5.466 -2.103 2.377 1.00 0.00 C ATOM 902 C GLY A 59 5.360 -3.627 2.456 1.00 0.00 C ATOM 903 O GLY A 59 4.262 -4.180 2.406 1.00 0.00 O ATOM 0 H GLY A 59 7.174 -1.051 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.484 -1.658 2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.790 -1.809 1.379 1.00 0.00 H new ATOM 907 N LEU A 60 6.515 -4.263 2.579 1.00 0.00 N ATOM 908 CA LEU A 60 6.566 -5.713 2.666 1.00 0.00 C ATOM 909 C LEU A 60 5.647 -6.184 3.795 1.00 0.00 C ATOM 910 O LEU A 60 4.664 -6.881 3.550 1.00 0.00 O ATOM 911 CB LEU A 60 8.012 -6.191 2.810 1.00 0.00 C ATOM 912 CG LEU A 60 8.199 -7.607 3.359 1.00 0.00 C ATOM 913 CD1 LEU A 60 7.304 -8.604 2.620 1.00 0.00 C ATOM 914 CD2 LEU A 60 9.672 -8.020 3.321 1.00 0.00 C ATOM 0 H LEU A 60 7.423 -3.801 2.621 1.00 0.00 H new ATOM 0 HA LEU A 60 6.197 -6.163 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.491 -6.135 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.540 -5.497 3.464 1.00 0.00 H new ATOM 0 HG LEU A 60 7.891 -7.612 4.405 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.456 -9.603 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.260 -8.317 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.557 -8.604 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.777 -9.030 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.031 -7.994 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.259 -7.330 3.927 1.00 0.00 H new ATOM 926 N MET A 61 6.000 -5.784 5.008 1.00 0.00 N ATOM 927 CA MET A 61 5.220 -6.157 6.176 1.00 0.00 C ATOM 928 C MET A 61 3.730 -5.894 5.946 1.00 0.00 C ATOM 929 O MET A 61 2.905 -6.791 6.111 1.00 0.00 O ATOM 930 CB MET A 61 5.699 -5.355 7.387 1.00 0.00 C ATOM 931 CG MET A 61 7.203 -5.537 7.606 1.00 0.00 C ATOM 932 SD MET A 61 7.649 -5.010 9.251 1.00 0.00 S ATOM 933 CE MET A 61 6.809 -3.436 9.311 1.00 0.00 C ATOM 0 H MET A 61 6.816 -5.205 5.207 1.00 0.00 H new ATOM 0 HA MET A 61 5.358 -7.223 6.357 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.475 -4.299 7.240 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.157 -5.675 8.277 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.475 -6.583 7.464 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.759 -4.960 6.867 1.00 0.00 H new ATOM 0 HE1 MET A 61 7.273 -2.805 10.069 1.00 0.00 H new ATOM 0 HE2 MET A 61 6.881 -2.948 8.339 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.760 -3.593 9.562 1.00 0.00 H new ATOM 943 N ILE A 62 3.431 -4.659 5.570 1.00 0.00 N ATOM 944 CA ILE A 62 2.055 -4.267 5.316 1.00 0.00 C ATOM 945 C ILE A 62 1.426 -5.245 4.322 1.00 0.00 C ATOM 946 O ILE A 62 0.407 -5.867 4.619 1.00 0.00 O ATOM 947 CB ILE A 62 1.989 -2.806 4.867 1.00 0.00 C ATOM 948 CG1 ILE A 62 2.589 -1.879 5.926 1.00 0.00 C ATOM 949 CG2 ILE A 62 0.557 -2.409 4.503 1.00 0.00 C ATOM 950 CD1 ILE A 62 1.586 -1.608 7.049 1.00 0.00 C ATOM 0 H ILE A 62 4.118 -3.917 5.435 1.00 0.00 H new ATOM 0 HA ILE A 62 1.468 -4.322 6.232 1.00 0.00 H new ATOM 0 HB ILE A 62 2.592 -2.698 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.491 -2.330 6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.886 -0.938 5.464 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.538 -1.366 4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.200 -3.041 3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.088 -2.537 5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.038 -0.947 7.788 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.695 -1.135 6.635 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.309 -2.549 7.525 1.00 0.00 H new ATOM 962 N SER A 63 2.058 -5.350 3.163 1.00 0.00 N ATOM 963 CA SER A 63 1.573 -6.242 2.124 1.00 0.00 C ATOM 964 C SER A 63 1.027 -7.527 2.750 1.00 0.00 C ATOM 965 O SER A 63 -0.073 -7.965 2.417 1.00 0.00 O ATOM 966 CB SER A 63 2.679 -6.570 1.118 1.00 0.00 C ATOM 967 OG SER A 63 2.787 -5.578 0.101 1.00 0.00 O ATOM 0 H SER A 63 2.902 -4.832 2.920 1.00 0.00 H new ATOM 0 HA SER A 63 0.770 -5.737 1.588 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.631 -6.657 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.477 -7.538 0.660 1.00 0.00 H new ATOM 0 HG SER A 63 2.979 -6.009 -0.758 1.00 0.00 H new ATOM 973 N ALA A 64 1.821 -8.095 3.645 1.00 0.00 N ATOM 974 CA ALA A 64 1.431 -9.321 4.321 1.00 0.00 C ATOM 975 C ALA A 64 0.006 -9.170 4.859 1.00 0.00 C ATOM 976 O ALA A 64 -0.843 -10.029 4.626 1.00 0.00 O ATOM 977 CB ALA A 64 2.440 -9.639 5.426 1.00 0.00 C ATOM 0 H ALA A 64 2.733 -7.729 3.918 1.00 0.00 H new ATOM 0 HA ALA A 64 1.434 -10.160 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.147 -10.559 5.933 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.431 -9.765 4.989 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.462 -8.820 6.145 1.00 0.00 H new ATOM 983 N SER A 65 -0.212 -8.073 5.568 1.00 0.00 N ATOM 984 CA SER A 65 -1.519 -7.799 6.140 1.00 0.00 C ATOM 985 C SER A 65 -2.587 -7.829 5.045 1.00 0.00 C ATOM 986 O SER A 65 -3.685 -8.341 5.258 1.00 0.00 O ATOM 987 CB SER A 65 -1.533 -6.448 6.859 1.00 0.00 C ATOM 988 OG SER A 65 -1.924 -6.573 8.223 1.00 0.00 O ATOM 0 H SER A 65 0.495 -7.363 5.760 1.00 0.00 H new ATOM 0 HA SER A 65 -1.740 -8.573 6.874 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.541 -5.999 6.806 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.217 -5.772 6.346 1.00 0.00 H new ATOM 0 HG SER A 65 -1.919 -5.690 8.647 1.00 0.00 H new ATOM 994 N LEU A 66 -2.227 -7.273 3.897 1.00 0.00 N ATOM 995 CA LEU A 66 -3.141 -7.230 2.768 1.00 0.00 C ATOM 996 C LEU A 66 -3.422 -8.656 2.290 1.00 0.00 C ATOM 997 O LEU A 66 -4.576 -9.078 2.228 1.00 0.00 O ATOM 998 CB LEU A 66 -2.597 -6.311 1.673 1.00 0.00 C ATOM 999 CG LEU A 66 -2.661 -4.810 1.965 1.00 0.00 C ATOM 1000 CD1 LEU A 66 -4.067 -4.262 1.716 1.00 0.00 C ATOM 1001 CD2 LEU A 66 -2.169 -4.505 3.381 1.00 0.00 C ATOM 0 H LEU A 66 -1.316 -6.849 3.725 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.096 -6.800 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.558 -6.580 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.150 -6.506 0.754 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.990 -4.299 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.084 -3.194 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.343 -4.427 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.777 -4.774 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.225 -3.432 3.562 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.795 -5.028 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.136 -4.837 3.487 1.00 0.00 H new ATOM 1013 N LEU A 67 -2.347 -9.360 1.965 1.00 0.00 N ATOM 1014 CA LEU A 67 -2.464 -10.729 1.494 1.00 0.00 C ATOM 1015 C LEU A 67 -3.264 -11.547 2.510 1.00 0.00 C ATOM 1016 O LEU A 67 -4.296 -12.123 2.173 1.00 0.00 O ATOM 1017 CB LEU A 67 -1.081 -11.310 1.189 1.00 0.00 C ATOM 1018 CG LEU A 67 -1.024 -12.822 0.963 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -0.757 -13.147 -0.508 1.00 0.00 C ATOM 1020 CD2 LEU A 67 0.001 -13.477 1.890 1.00 0.00 C ATOM 0 H LEU A 67 -1.391 -9.008 2.019 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.014 -10.763 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.689 -10.815 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.414 -11.061 2.014 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.998 -13.241 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.721 -14.228 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.555 -12.732 -1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.196 -12.713 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.021 -14.552 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.988 -13.057 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.275 -13.289 2.928 1.00 0.00 H new ATOM 1032 N SER A 68 -2.756 -11.571 3.734 1.00 0.00 N ATOM 1033 CA SER A 68 -3.410 -12.308 4.801 1.00 0.00 C ATOM 1034 C SER A 68 -4.922 -12.079 4.745 1.00 0.00 C ATOM 1035 O SER A 68 -5.686 -13.012 4.504 1.00 0.00 O ATOM 1036 CB SER A 68 -2.862 -11.899 6.170 1.00 0.00 C ATOM 1037 OG SER A 68 -2.269 -12.997 6.858 1.00 0.00 O ATOM 0 H SER A 68 -1.899 -11.092 4.010 1.00 0.00 H new ATOM 0 HA SER A 68 -3.204 -13.369 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.122 -11.109 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.669 -11.486 6.775 1.00 0.00 H new ATOM 0 HG SER A 68 -1.930 -12.694 7.726 1.00 0.00 H new ATOM 1043 N GLU A 69 -5.308 -10.832 4.972 1.00 0.00 N ATOM 1044 CA GLU A 69 -6.715 -10.469 4.950 1.00 0.00 C ATOM 1045 C GLU A 69 -7.440 -11.221 3.832 1.00 0.00 C ATOM 1046 O GLU A 69 -8.591 -11.622 3.995 1.00 0.00 O ATOM 1047 CB GLU A 69 -6.888 -8.956 4.796 1.00 0.00 C ATOM 1048 CG GLU A 69 -6.600 -8.234 6.114 1.00 0.00 C ATOM 1049 CD GLU A 69 -7.774 -8.377 7.085 1.00 0.00 C ATOM 1050 OE1 GLU A 69 -8.903 -8.571 6.586 1.00 0.00 O ATOM 1051 OE2 GLU A 69 -7.515 -8.290 8.305 1.00 0.00 O ATOM 0 H GLU A 69 -4.671 -10.061 5.172 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.160 -10.757 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.217 -8.587 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.904 -8.734 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.697 -8.643 6.567 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.410 -7.178 5.921 1.00 0.00 H new ATOM 1058 N GLY A 70 -6.736 -11.389 2.722 1.00 0.00 N ATOM 1059 CA GLY A 70 -7.299 -12.085 1.578 1.00 0.00 C ATOM 1060 C GLY A 70 -7.518 -11.126 0.406 1.00 0.00 C ATOM 1061 O GLY A 70 -8.257 -11.439 -0.526 1.00 0.00 O ATOM 0 H GLY A 70 -5.781 -11.055 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.631 -12.891 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.247 -12.545 1.858 1.00 0.00 H new ATOM 1065 N TYR A 71 -6.863 -9.978 0.492 1.00 0.00 N ATOM 1066 CA TYR A 71 -6.977 -8.972 -0.550 1.00 0.00 C ATOM 1067 C TYR A 71 -6.164 -9.366 -1.785 1.00 0.00 C ATOM 1068 O TYR A 71 -6.462 -8.927 -2.894 1.00 0.00 O ATOM 1069 CB TYR A 71 -6.394 -7.686 0.040 1.00 0.00 C ATOM 1070 CG TYR A 71 -7.328 -6.973 1.021 1.00 0.00 C ATOM 1071 CD1 TYR A 71 -8.561 -6.523 0.596 1.00 0.00 C ATOM 1072 CD2 TYR A 71 -6.936 -6.779 2.330 1.00 0.00 C ATOM 1073 CE1 TYR A 71 -9.440 -5.852 1.518 1.00 0.00 C ATOM 1074 CE2 TYR A 71 -7.815 -6.107 3.252 1.00 0.00 C ATOM 1075 CZ TYR A 71 -9.023 -5.677 2.801 1.00 0.00 C ATOM 1076 OH TYR A 71 -9.853 -5.043 3.672 1.00 0.00 O ATOM 0 H TYR A 71 -6.251 -9.722 1.267 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.016 -8.857 -0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.460 -7.923 0.550 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.149 -7.004 -0.774 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.867 -6.674 -0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.971 -7.131 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.408 -5.496 1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.521 -5.948 4.279 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.425 -4.990 4.552 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.153 -10.189 -1.550 1.00 0.00 N ATOM 1087 CA LEU A 72 -4.294 -10.647 -2.629 1.00 0.00 C ATOM 1088 C LEU A 72 -4.149 -12.168 -2.549 1.00 0.00 C ATOM 1089 O LEU A 72 -3.585 -12.691 -1.589 1.00 0.00 O ATOM 1090 CB LEU A 72 -2.960 -9.900 -2.606 1.00 0.00 C ATOM 1091 CG LEU A 72 -3.046 -8.372 -2.607 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -1.713 -7.747 -2.191 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.525 -7.851 -3.964 1.00 0.00 C ATOM 0 H LEU A 72 -4.909 -10.551 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.743 -10.420 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.407 -10.212 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.377 -10.212 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.787 -8.071 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.802 -6.661 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.452 -8.081 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.934 -8.053 -2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.577 -6.763 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.826 -8.162 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.513 -8.257 -4.181 1.00 0.00 H new ATOM 1105 N GLN A 73 -4.668 -12.835 -3.569 1.00 0.00 N ATOM 1106 CA GLN A 73 -4.603 -14.285 -3.626 1.00 0.00 C ATOM 1107 C GLN A 73 -3.344 -14.731 -4.373 1.00 0.00 C ATOM 1108 O GLN A 73 -2.990 -14.155 -5.400 1.00 0.00 O ATOM 1109 CB GLN A 73 -5.860 -14.866 -4.276 1.00 0.00 C ATOM 1110 CG GLN A 73 -7.089 -14.635 -3.394 1.00 0.00 C ATOM 1111 CD GLN A 73 -7.108 -15.610 -2.214 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -6.583 -16.709 -2.276 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -7.740 -15.146 -1.140 1.00 0.00 N ATOM 0 H GLN A 73 -5.136 -12.398 -4.363 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.552 -14.667 -2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.016 -14.405 -5.251 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.725 -15.934 -4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.088 -13.610 -3.023 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.995 -14.758 -3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.158 -14.216 -1.156 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.807 -15.721 -0.300 1.00 0.00 H new ATOM 1122 N PRO A 74 -2.685 -15.782 -3.813 1.00 0.00 N ATOM 1123 CA PRO A 74 -1.474 -16.312 -4.415 1.00 0.00 C ATOM 1124 C PRO A 74 -1.796 -17.135 -5.664 1.00 0.00 C ATOM 1125 O PRO A 74 -2.853 -17.759 -5.744 1.00 0.00 O ATOM 1126 CB PRO A 74 -0.815 -17.131 -3.317 1.00 0.00 C ATOM 1127 CG PRO A 74 -1.905 -17.411 -2.296 1.00 0.00 C ATOM 1128 CD PRO A 74 -3.075 -16.489 -2.598 1.00 0.00 C ATOM 0 HA PRO A 74 -0.802 -15.529 -4.767 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.405 -18.059 -3.715 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.013 -16.584 -2.865 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.218 -18.454 -2.348 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.535 -17.239 -1.285 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.996 -17.053 -2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.255 -15.795 -1.777 1.00 0.00 H new ATOM 1136 N ALA A 75 -0.866 -17.109 -6.607 1.00 0.00 N ATOM 1137 CA ALA A 75 -1.039 -17.846 -7.848 1.00 0.00 C ATOM 1138 C ALA A 75 0.332 -18.270 -8.379 1.00 0.00 C ATOM 1139 O ALA A 75 1.080 -17.446 -8.905 1.00 0.00 O ATOM 1140 CB ALA A 75 -1.811 -16.985 -8.849 1.00 0.00 C ATOM 0 H ALA A 75 0.009 -16.590 -6.537 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.622 -18.752 -7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.941 -17.537 -9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.788 -16.735 -8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.255 -16.068 -9.046 1.00 0.00 H new ATOM 1146 N GLY A 76 0.621 -19.553 -8.223 1.00 0.00 N ATOM 1147 CA GLY A 76 1.888 -20.096 -8.680 1.00 0.00 C ATOM 1148 C GLY A 76 2.615 -20.823 -7.546 1.00 0.00 C ATOM 1149 O GLY A 76 2.070 -21.751 -6.950 1.00 0.00 O ATOM 0 H GLY A 76 -0.001 -20.233 -7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.715 -20.785 -9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.516 -19.291 -9.062 1.00 0.00 H new ATOM 1153 N ASP A 77 3.832 -20.373 -7.282 1.00 0.00 N ATOM 1154 CA ASP A 77 4.639 -20.969 -6.230 1.00 0.00 C ATOM 1155 C ASP A 77 5.217 -19.861 -5.347 1.00 0.00 C ATOM 1156 O ASP A 77 4.868 -18.692 -5.504 1.00 0.00 O ATOM 1157 CB ASP A 77 5.807 -21.765 -6.816 1.00 0.00 C ATOM 1158 CG ASP A 77 5.645 -23.285 -6.760 1.00 0.00 C ATOM 1159 OD1 ASP A 77 6.007 -23.857 -5.709 1.00 0.00 O ATOM 1160 OD2 ASP A 77 5.164 -23.842 -7.771 1.00 0.00 O ATOM 0 H ASP A 77 4.280 -19.602 -7.778 1.00 0.00 H new ATOM 0 HA ASP A 77 4.001 -21.638 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.945 -21.467 -7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.717 -21.492 -6.283 1.00 0.00 H new ATOM 1165 N LEU A 78 6.091 -20.268 -4.439 1.00 0.00 N ATOM 1166 CA LEU A 78 6.721 -19.325 -3.531 1.00 0.00 C ATOM 1167 C LEU A 78 5.655 -18.705 -2.625 1.00 0.00 C ATOM 1168 O LEU A 78 5.519 -19.092 -1.466 1.00 0.00 O ATOM 1169 CB LEU A 78 7.539 -18.294 -4.312 1.00 0.00 C ATOM 1170 CG LEU A 78 8.866 -18.789 -4.889 1.00 0.00 C ATOM 1171 CD1 LEU A 78 8.638 -19.902 -5.913 1.00 0.00 C ATOM 1172 CD2 LEU A 78 9.676 -17.630 -5.473 1.00 0.00 C ATOM 0 H LEU A 78 6.378 -21.239 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 78 7.432 -19.838 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.926 -17.919 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.744 -17.449 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 78 9.454 -19.215 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.598 -20.236 -6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.132 -20.740 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.022 -19.525 -6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.615 -18.009 -5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.105 -17.152 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.886 -16.902 -4.690 1.00 0.00 H new ATOM 1184 N SER A 79 4.925 -17.754 -3.189 1.00 0.00 N ATOM 1185 CA SER A 79 3.875 -17.077 -2.447 1.00 0.00 C ATOM 1186 C SER A 79 3.042 -18.098 -1.670 1.00 0.00 C ATOM 1187 O SER A 79 3.069 -18.120 -0.441 1.00 0.00 O ATOM 1188 CB SER A 79 2.979 -16.261 -3.381 1.00 0.00 C ATOM 1189 OG SER A 79 2.568 -17.014 -4.519 1.00 0.00 O ATOM 0 H SER A 79 5.040 -17.436 -4.151 1.00 0.00 H new ATOM 0 HA SER A 79 4.343 -16.388 -1.743 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.099 -15.921 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.514 -15.370 -3.710 1.00 0.00 H new ATOM 0 HG SER A 79 3.349 -17.446 -4.925 1.00 0.00 H new ATOM 1195 N LYS A 80 2.321 -18.920 -2.420 1.00 0.00 N ATOM 1196 CA LYS A 80 1.482 -19.941 -1.817 1.00 0.00 C ATOM 1197 C LYS A 80 2.276 -20.673 -0.733 1.00 0.00 C ATOM 1198 O LYS A 80 1.947 -20.585 0.449 1.00 0.00 O ATOM 1199 CB LYS A 80 0.909 -20.867 -2.891 1.00 0.00 C ATOM 1200 CG LYS A 80 -0.585 -21.111 -2.665 1.00 0.00 C ATOM 1201 CD LYS A 80 -1.112 -22.194 -3.609 1.00 0.00 C ATOM 1202 CE LYS A 80 -0.661 -23.584 -3.156 1.00 0.00 C ATOM 1203 NZ LYS A 80 -1.372 -23.982 -1.920 1.00 0.00 N ATOM 0 H LYS A 80 2.301 -18.899 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 80 0.620 -19.486 -1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.064 -20.427 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.442 -21.818 -2.879 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.756 -21.410 -1.631 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.137 -20.185 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.201 -22.154 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.755 -22.004 -4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.855 -24.311 -3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.415 -23.585 -2.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.298 -25.012 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.944 -23.501 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.374 -23.714 -1.994 1.00 0.00 H new ATOM 1217 N ASN A 81 3.306 -21.380 -1.175 1.00 0.00 N ATOM 1218 CA ASN A 81 4.150 -22.127 -0.258 1.00 0.00 C ATOM 1219 C ASN A 81 4.382 -21.297 1.005 1.00 0.00 C ATOM 1220 O ASN A 81 4.548 -21.848 2.093 1.00 0.00 O ATOM 1221 CB ASN A 81 5.513 -22.428 -0.884 1.00 0.00 C ATOM 1222 CG ASN A 81 5.725 -23.935 -1.038 1.00 0.00 C ATOM 1223 OD1 ASN A 81 6.258 -24.605 -0.169 1.00 0.00 O ATOM 1224 ND2 ASN A 81 5.280 -24.429 -2.190 1.00 0.00 N ATOM 0 H ASN A 81 3.575 -21.451 -2.156 1.00 0.00 H new ATOM 0 HA ASN A 81 3.646 -23.065 -0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.584 -21.946 -1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.303 -22.008 -0.262 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.376 -25.425 -2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.843 -23.812 -2.875 1.00 0.00 H new ATOM 1231 N ALA A 82 4.387 -19.985 0.820 1.00 0.00 N ATOM 1232 CA ALA A 82 4.597 -19.073 1.932 1.00 0.00 C ATOM 1233 C ALA A 82 3.394 -19.140 2.875 1.00 0.00 C ATOM 1234 O ALA A 82 3.527 -19.546 4.029 1.00 0.00 O ATOM 1235 CB ALA A 82 4.839 -17.661 1.396 1.00 0.00 C ATOM 0 H ALA A 82 4.249 -19.532 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 82 5.480 -19.361 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.996 -16.977 2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.721 -17.661 0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.972 -17.337 0.820 1.00 0.00 H new ATOM 1241 N ALA A 83 2.247 -18.737 2.349 1.00 0.00 N ATOM 1242 CA ALA A 83 1.022 -18.746 3.130 1.00 0.00 C ATOM 1243 C ALA A 83 0.916 -20.070 3.890 1.00 0.00 C ATOM 1244 O ALA A 83 0.283 -20.137 4.943 1.00 0.00 O ATOM 1245 CB ALA A 83 -0.174 -18.507 2.206 1.00 0.00 C ATOM 0 H ALA A 83 2.140 -18.402 1.391 1.00 0.00 H new ATOM 0 HA ALA A 83 1.031 -17.943 3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.093 -18.514 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.065 -17.541 1.712 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.217 -19.296 1.455 1.00 0.00 H new ATOM 1251 N ASP A 84 1.546 -21.090 3.327 1.00 0.00 N ATOM 1252 CA ASP A 84 1.531 -22.409 3.938 1.00 0.00 C ATOM 1253 C ASP A 84 2.118 -22.319 5.348 1.00 0.00 C ATOM 1254 O ASP A 84 1.434 -22.606 6.329 1.00 0.00 O ATOM 1255 CB ASP A 84 2.378 -23.398 3.135 1.00 0.00 C ATOM 1256 CG ASP A 84 1.743 -24.775 2.929 1.00 0.00 C ATOM 1257 OD1 ASP A 84 0.512 -24.867 3.125 1.00 0.00 O ATOM 1258 OD2 ASP A 84 2.503 -25.704 2.582 1.00 0.00 O ATOM 0 H ASP A 84 2.070 -21.030 2.454 1.00 0.00 H new ATOM 0 HA ASP A 84 0.498 -22.757 3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.590 -22.963 2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.335 -23.528 3.641 1.00 0.00 H new ATOM 1263 N GLY A 85 3.380 -21.919 5.404 1.00 0.00 N ATOM 1264 CA GLY A 85 4.068 -21.788 6.677 1.00 0.00 C ATOM 1265 C GLY A 85 5.581 -21.693 6.476 1.00 0.00 C ATOM 1266 O GLY A 85 6.335 -22.500 7.018 1.00 0.00 O ATOM 0 H GLY A 85 3.944 -21.681 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.710 -20.900 7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.835 -22.644 7.310 1.00 0.00 H new ATOM 1270 N ILE A 86 5.981 -20.699 5.696 1.00 0.00 N ATOM 1271 CA ILE A 86 7.391 -20.488 5.416 1.00 0.00 C ATOM 1272 C ILE A 86 8.062 -19.866 6.642 1.00 0.00 C ATOM 1273 O ILE A 86 8.729 -20.560 7.408 1.00 0.00 O ATOM 1274 CB ILE A 86 7.567 -19.668 4.136 1.00 0.00 C ATOM 1275 CG1 ILE A 86 7.537 -20.568 2.900 1.00 0.00 C ATOM 1276 CG2 ILE A 86 8.839 -18.821 4.198 1.00 0.00 C ATOM 1277 CD1 ILE A 86 8.807 -21.416 2.808 1.00 0.00 C ATOM 0 H ILE A 86 5.353 -20.031 5.249 1.00 0.00 H new ATOM 0 HA ILE A 86 7.888 -21.439 5.228 1.00 0.00 H new ATOM 0 HB ILE A 86 6.726 -18.980 4.053 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.663 -21.218 2.941 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.438 -19.957 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.940 -18.248 3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.780 -18.138 5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.705 -19.473 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.760 -22.047 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.677 -20.762 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.890 -22.044 3.695 1.00 0.00 H new ATOM 1289 N ALA A 87 7.862 -18.565 6.790 1.00 0.00 N ATOM 1290 CA ALA A 87 8.439 -17.841 7.910 1.00 0.00 C ATOM 1291 C ALA A 87 7.364 -16.963 8.553 1.00 0.00 C ATOM 1292 O ALA A 87 6.197 -17.346 8.610 1.00 0.00 O ATOM 1293 CB ALA A 87 9.643 -17.030 7.428 1.00 0.00 C ATOM 0 H ALA A 87 7.308 -17.993 6.153 1.00 0.00 H new ATOM 0 HA ALA A 87 8.797 -18.534 8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.076 -16.487 8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.390 -17.703 7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.322 -16.321 6.664 1.00 0.00 H new ATOM 1299 N GLU A 88 7.796 -15.801 9.021 1.00 0.00 N ATOM 1300 CA GLU A 88 6.885 -14.865 9.658 1.00 0.00 C ATOM 1301 C GLU A 88 6.386 -13.835 8.642 1.00 0.00 C ATOM 1302 O GLU A 88 5.718 -12.870 9.008 1.00 0.00 O ATOM 1303 CB GLU A 88 7.550 -14.179 10.852 1.00 0.00 C ATOM 1304 CG GLU A 88 6.676 -14.289 12.104 1.00 0.00 C ATOM 1305 CD GLU A 88 5.826 -13.031 12.291 1.00 0.00 C ATOM 1306 OE1 GLU A 88 4.848 -12.888 11.526 1.00 0.00 O ATOM 1307 OE2 GLU A 88 6.173 -12.241 13.195 1.00 0.00 O ATOM 0 H GLU A 88 8.765 -15.486 8.972 1.00 0.00 H new ATOM 0 HA GLU A 88 6.027 -15.422 10.033 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.522 -14.633 11.042 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.729 -13.129 10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.028 -15.162 12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.307 -14.440 12.980 1.00 0.00 H new ATOM 1314 N ASN A 89 6.730 -14.076 7.385 1.00 0.00 N ATOM 1315 CA ASN A 89 6.326 -13.182 6.314 1.00 0.00 C ATOM 1316 C ASN A 89 5.818 -14.007 5.130 1.00 0.00 C ATOM 1317 O ASN A 89 6.606 -14.623 4.414 1.00 0.00 O ATOM 1318 CB ASN A 89 7.505 -12.336 5.829 1.00 0.00 C ATOM 1319 CG ASN A 89 7.678 -11.087 6.696 1.00 0.00 C ATOM 1320 OD1 ASN A 89 7.485 -11.105 7.901 1.00 0.00 O ATOM 1321 ND2 ASN A 89 8.050 -10.005 6.019 1.00 0.00 N ATOM 0 H ASN A 89 7.284 -14.878 7.085 1.00 0.00 H new ATOM 0 HA ASN A 89 5.545 -12.526 6.699 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.418 -12.930 5.855 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.344 -12.043 4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.191 -9.121 6.508 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.195 -10.059 5.011 1.00 0.00 H new ATOM 1328 N PRO A 90 4.469 -13.994 4.957 1.00 0.00 N ATOM 1329 CA PRO A 90 3.846 -14.734 3.873 1.00 0.00 C ATOM 1330 C PRO A 90 4.060 -14.027 2.533 1.00 0.00 C ATOM 1331 O PRO A 90 4.027 -14.662 1.480 1.00 0.00 O ATOM 1332 CB PRO A 90 2.380 -14.841 4.261 1.00 0.00 C ATOM 1333 CG PRO A 90 2.147 -13.765 5.308 1.00 0.00 C ATOM 1334 CD PRO A 90 3.505 -13.277 5.786 1.00 0.00 C ATOM 0 HA PRO A 90 4.281 -15.724 3.735 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.735 -14.690 3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.153 -15.830 4.660 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.572 -12.941 4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.569 -14.163 6.142 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.603 -12.198 5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.654 -13.494 6.844 1.00 0.00 H new ATOM 1342 N PHE A 91 4.275 -12.722 2.616 1.00 0.00 N ATOM 1343 CA PHE A 91 4.494 -11.922 1.423 1.00 0.00 C ATOM 1344 C PHE A 91 5.971 -11.926 1.024 1.00 0.00 C ATOM 1345 O PHE A 91 6.843 -11.673 1.855 1.00 0.00 O ATOM 1346 CB PHE A 91 4.073 -10.491 1.761 1.00 0.00 C ATOM 1347 CG PHE A 91 3.364 -9.764 0.616 1.00 0.00 C ATOM 1348 CD1 PHE A 91 2.016 -9.873 0.472 1.00 0.00 C ATOM 1349 CD2 PHE A 91 4.082 -9.009 -0.257 1.00 0.00 C ATOM 1350 CE1 PHE A 91 1.359 -9.199 -0.590 1.00 0.00 C ATOM 1351 CE2 PHE A 91 3.425 -8.334 -1.320 1.00 0.00 C ATOM 1352 CZ PHE A 91 2.077 -8.444 -1.464 1.00 0.00 C ATOM 0 H PHE A 91 4.302 -12.199 3.491 1.00 0.00 H new ATOM 0 HA PHE A 91 3.920 -12.329 0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.413 -10.513 2.628 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.957 -9.921 2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.446 -10.473 1.166 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.152 -8.922 -0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.289 -9.286 -0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.995 -7.734 -2.013 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.577 -7.932 -2.273 1.00 0.00 H new ATOM 1362 N LEU A 92 6.207 -12.215 -0.247 1.00 0.00 N ATOM 1363 CA LEU A 92 7.564 -12.255 -0.766 1.00 0.00 C ATOM 1364 C LEU A 92 7.796 -11.042 -1.668 1.00 0.00 C ATOM 1365 O LEU A 92 7.270 -10.979 -2.778 1.00 0.00 O ATOM 1366 CB LEU A 92 7.834 -13.595 -1.455 1.00 0.00 C ATOM 1367 CG LEU A 92 7.673 -14.842 -0.583 1.00 0.00 C ATOM 1368 CD1 LEU A 92 6.300 -14.866 0.090 1.00 0.00 C ATOM 1369 CD2 LEU A 92 7.938 -16.113 -1.392 1.00 0.00 C ATOM 0 H LEU A 92 5.482 -12.424 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 92 8.286 -12.190 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.162 -13.684 -2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.850 -13.580 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 92 8.419 -14.804 0.211 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.211 -15.762 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.188 -13.983 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.521 -14.870 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.817 -16.985 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.231 -16.171 -2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.955 -16.089 -1.784 1.00 0.00 H new ATOM 1381 N ASP A 93 8.585 -10.107 -1.158 1.00 0.00 N ATOM 1382 CA ASP A 93 8.893 -8.899 -1.903 1.00 0.00 C ATOM 1383 C ASP A 93 9.748 -9.260 -3.120 1.00 0.00 C ATOM 1384 O ASP A 93 10.931 -8.927 -3.172 1.00 0.00 O ATOM 1385 CB ASP A 93 9.684 -7.909 -1.046 1.00 0.00 C ATOM 1386 CG ASP A 93 10.243 -6.702 -1.801 1.00 0.00 C ATOM 1387 OD1 ASP A 93 9.580 -6.287 -2.776 1.00 0.00 O ATOM 1388 OD2 ASP A 93 11.319 -6.221 -1.386 1.00 0.00 O ATOM 0 H ASP A 93 9.020 -10.162 -0.237 1.00 0.00 H new ATOM 0 HA ASP A 93 7.952 -8.441 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.039 -7.550 -0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.512 -8.440 -0.576 1.00 0.00 H new ATOM 1393 N SER A 94 9.116 -9.936 -4.068 1.00 0.00 N ATOM 1394 CA SER A 94 9.804 -10.345 -5.280 1.00 0.00 C ATOM 1395 C SER A 94 8.833 -10.333 -6.463 1.00 0.00 C ATOM 1396 O SER A 94 7.630 -10.510 -6.284 1.00 0.00 O ATOM 1397 CB SER A 94 10.426 -11.734 -5.119 1.00 0.00 C ATOM 1398 OG SER A 94 11.721 -11.811 -5.709 1.00 0.00 O ATOM 0 H SER A 94 8.135 -10.211 -4.021 1.00 0.00 H new ATOM 0 HA SER A 94 10.609 -9.636 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.495 -11.979 -4.059 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.774 -12.478 -5.577 1.00 0.00 H new ATOM 0 HG SER A 94 12.085 -12.712 -5.584 1.00 0.00 H new ATOM 1404 N PRO A 95 9.408 -10.115 -7.676 1.00 0.00 N ATOM 1405 CA PRO A 95 8.607 -10.077 -8.888 1.00 0.00 C ATOM 1406 C PRO A 95 8.177 -11.485 -9.305 1.00 0.00 C ATOM 1407 O PRO A 95 7.353 -11.646 -10.204 1.00 0.00 O ATOM 1408 CB PRO A 95 9.489 -9.395 -9.921 1.00 0.00 C ATOM 1409 CG PRO A 95 10.909 -9.495 -9.388 1.00 0.00 C ATOM 1410 CD PRO A 95 10.831 -9.901 -7.926 1.00 0.00 C ATOM 0 HA PRO A 95 7.673 -9.530 -8.758 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.401 -9.882 -10.892 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.196 -8.354 -10.059 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.480 -10.228 -9.958 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.424 -8.540 -9.492 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.407 -10.806 -7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.235 -9.124 -7.277 1.00 0.00 H new ATOM 1418 N ASP A 96 8.754 -12.470 -8.631 1.00 0.00 N ATOM 1419 CA ASP A 96 8.440 -13.859 -8.921 1.00 0.00 C ATOM 1420 C ASP A 96 7.068 -14.200 -8.336 1.00 0.00 C ATOM 1421 O ASP A 96 6.229 -14.788 -9.016 1.00 0.00 O ATOM 1422 CB ASP A 96 9.470 -14.799 -8.291 1.00 0.00 C ATOM 1423 CG ASP A 96 10.919 -14.545 -8.711 1.00 0.00 C ATOM 1424 OD1 ASP A 96 11.390 -13.413 -8.471 1.00 0.00 O ATOM 1425 OD2 ASP A 96 11.523 -15.491 -9.262 1.00 0.00 O ATOM 0 H ASP A 96 9.437 -12.334 -7.886 1.00 0.00 H new ATOM 0 HA ASP A 96 8.448 -13.988 -10.003 1.00 0.00 H new ATOM 0 HB2 ASP A 96 9.402 -14.714 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.208 -15.825 -8.548 1.00 0.00 H new ATOM 1430 N ALA A 97 6.883 -13.816 -7.082 1.00 0.00 N ATOM 1431 CA ALA A 97 5.628 -14.074 -6.398 1.00 0.00 C ATOM 1432 C ALA A 97 4.507 -13.290 -7.084 1.00 0.00 C ATOM 1433 O ALA A 97 4.516 -12.060 -7.084 1.00 0.00 O ATOM 1434 CB ALA A 97 5.769 -13.714 -4.917 1.00 0.00 C ATOM 0 H ALA A 97 7.582 -13.328 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 97 5.372 -15.132 -6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.827 -13.908 -4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.557 -14.319 -4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.023 -12.658 -4.822 1.00 0.00 H new ATOM 1440 N PHE A 98 3.570 -14.034 -7.653 1.00 0.00 N ATOM 1441 CA PHE A 98 2.446 -13.424 -8.342 1.00 0.00 C ATOM 1442 C PHE A 98 1.181 -13.479 -7.482 1.00 0.00 C ATOM 1443 O PHE A 98 0.926 -14.477 -6.810 1.00 0.00 O ATOM 1444 CB PHE A 98 2.214 -14.230 -9.621 1.00 0.00 C ATOM 1445 CG PHE A 98 3.497 -14.582 -10.376 1.00 0.00 C ATOM 1446 CD1 PHE A 98 4.242 -13.597 -10.946 1.00 0.00 C ATOM 1447 CD2 PHE A 98 3.893 -15.879 -10.478 1.00 0.00 C ATOM 1448 CE1 PHE A 98 5.434 -13.923 -11.647 1.00 0.00 C ATOM 1449 CE2 PHE A 98 5.084 -16.205 -11.179 1.00 0.00 C ATOM 1450 CZ PHE A 98 5.829 -15.221 -11.749 1.00 0.00 C ATOM 0 H PHE A 98 3.566 -15.054 -7.651 1.00 0.00 H new ATOM 0 HA PHE A 98 2.664 -12.377 -8.555 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.689 -15.151 -9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.560 -13.662 -10.282 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.927 -12.567 -10.866 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.301 -16.661 -10.026 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.026 -13.141 -12.099 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.398 -17.235 -11.259 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.734 -15.470 -12.283 1.00 0.00 H new ATOM 1460 N TYR A 99 0.423 -12.394 -7.532 1.00 0.00 N ATOM 1461 CA TYR A 99 -0.809 -12.306 -6.766 1.00 0.00 C ATOM 1462 C TYR A 99 -1.915 -11.632 -7.582 1.00 0.00 C ATOM 1463 O TYR A 99 -1.636 -10.795 -8.439 1.00 0.00 O ATOM 1464 CB TYR A 99 -0.488 -11.437 -5.549 1.00 0.00 C ATOM 1465 CG TYR A 99 0.425 -12.114 -4.524 1.00 0.00 C ATOM 1466 CD1 TYR A 99 -0.021 -13.218 -3.826 1.00 0.00 C ATOM 1467 CD2 TYR A 99 1.694 -11.621 -4.299 1.00 0.00 C ATOM 1468 CE1 TYR A 99 0.838 -13.855 -2.862 1.00 0.00 C ATOM 1469 CE2 TYR A 99 2.553 -12.258 -3.334 1.00 0.00 C ATOM 1470 CZ TYR A 99 2.082 -13.344 -2.664 1.00 0.00 C ATOM 1471 OH TYR A 99 2.894 -13.946 -1.753 1.00 0.00 O ATOM 0 H TYR A 99 0.638 -11.568 -8.091 1.00 0.00 H new ATOM 0 HA TYR A 99 -1.160 -13.300 -6.489 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.016 -10.515 -5.888 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.421 -11.156 -5.060 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.014 -13.604 -4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.043 -10.758 -4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.502 -14.719 -2.309 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.548 -11.882 -3.147 1.00 0.00 H new ATOM 0 HH TYR A 99 3.752 -13.474 -1.718 1.00 0.00 H new ATOM 1481 N TYR A 100 -3.146 -12.022 -7.285 1.00 0.00 N ATOM 1482 CA TYR A 100 -4.294 -11.466 -7.980 1.00 0.00 C ATOM 1483 C TYR A 100 -5.477 -11.284 -7.026 1.00 0.00 C ATOM 1484 O TYR A 100 -5.697 -12.108 -6.140 1.00 0.00 O ATOM 1485 CB TYR A 100 -4.673 -12.488 -9.054 1.00 0.00 C ATOM 1486 CG TYR A 100 -5.256 -13.788 -8.497 1.00 0.00 C ATOM 1487 CD1 TYR A 100 -4.417 -14.753 -7.977 1.00 0.00 C ATOM 1488 CD2 TYR A 100 -6.620 -13.997 -8.514 1.00 0.00 C ATOM 1489 CE1 TYR A 100 -4.965 -15.977 -7.453 1.00 0.00 C ATOM 1490 CE2 TYR A 100 -7.168 -15.221 -7.990 1.00 0.00 C ATOM 1491 CZ TYR A 100 -6.313 -16.151 -7.485 1.00 0.00 C ATOM 1492 OH TYR A 100 -6.831 -17.307 -6.990 1.00 0.00 O ATOM 0 H TYR A 100 -3.373 -12.716 -6.573 1.00 0.00 H new ATOM 0 HA TYR A 100 -4.053 -10.489 -8.399 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.399 -12.037 -9.730 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.788 -12.723 -9.646 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.349 -14.590 -7.963 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.277 -13.242 -8.921 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.320 -16.740 -7.044 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.234 -15.397 -7.998 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.807 -17.292 -7.078 1.00 0.00 H new ATOM 1502 N PHE A 101 -6.207 -10.199 -7.240 1.00 0.00 N ATOM 1503 CA PHE A 101 -7.361 -9.898 -6.410 1.00 0.00 C ATOM 1504 C PHE A 101 -8.450 -10.959 -6.581 1.00 0.00 C ATOM 1505 O PHE A 101 -8.602 -11.530 -7.660 1.00 0.00 O ATOM 1506 CB PHE A 101 -7.906 -8.546 -6.875 1.00 0.00 C ATOM 1507 CG PHE A 101 -6.858 -7.431 -6.908 1.00 0.00 C ATOM 1508 CD1 PHE A 101 -6.178 -7.103 -5.777 1.00 0.00 C ATOM 1509 CD2 PHE A 101 -6.606 -6.770 -8.070 1.00 0.00 C ATOM 1510 CE1 PHE A 101 -5.205 -6.068 -5.809 1.00 0.00 C ATOM 1511 CE2 PHE A 101 -5.634 -5.735 -8.101 1.00 0.00 C ATOM 1512 CZ PHE A 101 -4.954 -5.406 -6.970 1.00 0.00 C ATOM 0 H PHE A 101 -6.022 -9.518 -7.976 1.00 0.00 H new ATOM 0 HA PHE A 101 -7.070 -9.880 -5.360 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.331 -8.661 -7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.719 -8.247 -6.214 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -6.377 -7.629 -4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.145 -7.032 -8.968 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.665 -5.807 -4.911 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.435 -5.209 -9.023 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.215 -4.619 -6.994 1.00 0.00 H new ATOM 1522 N PRO A 102 -9.200 -11.196 -5.471 1.00 0.00 N ATOM 1523 CA PRO A 102 -10.271 -12.179 -5.488 1.00 0.00 C ATOM 1524 C PRO A 102 -11.491 -11.646 -6.241 1.00 0.00 C ATOM 1525 O PRO A 102 -12.481 -11.251 -5.626 1.00 0.00 O ATOM 1526 CB PRO A 102 -10.557 -12.473 -4.024 1.00 0.00 C ATOM 1527 CG PRO A 102 -9.966 -11.311 -3.242 1.00 0.00 C ATOM 1528 CD PRO A 102 -9.049 -10.539 -4.177 1.00 0.00 C ATOM 0 HA PRO A 102 -9.998 -13.092 -6.018 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.629 -12.559 -3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.106 -13.418 -3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.757 -10.664 -2.863 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.411 -11.675 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.333 -9.488 -4.231 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.015 -10.573 -3.834 1.00 0.00 H new ATOM 1536 N ASP A 103 -11.382 -11.653 -7.561 1.00 0.00 N ATOM 1537 CA ASP A 103 -12.464 -11.175 -8.405 1.00 0.00 C ATOM 1538 C ASP A 103 -11.986 -11.119 -9.857 1.00 0.00 C ATOM 1539 O ASP A 103 -12.763 -11.362 -10.779 1.00 0.00 O ATOM 1540 CB ASP A 103 -12.901 -9.767 -7.995 1.00 0.00 C ATOM 1541 CG ASP A 103 -14.414 -9.563 -7.897 1.00 0.00 C ATOM 1542 OD1 ASP A 103 -15.090 -10.522 -7.465 1.00 0.00 O ATOM 1543 OD2 ASP A 103 -14.861 -8.452 -8.256 1.00 0.00 O ATOM 0 H ASP A 103 -10.560 -11.982 -8.067 1.00 0.00 H new ATOM 0 HA ASP A 103 -13.305 -11.859 -8.295 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.454 -9.531 -7.029 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -12.499 -9.054 -8.715 1.00 0.00 H new ATOM 1548 N SER A 104 -10.711 -10.796 -10.015 1.00 0.00 N ATOM 1549 CA SER A 104 -10.121 -10.704 -11.339 1.00 0.00 C ATOM 1550 C SER A 104 -8.973 -11.707 -11.471 1.00 0.00 C ATOM 1551 O SER A 104 -8.409 -12.146 -10.470 1.00 0.00 O ATOM 1552 CB SER A 104 -9.621 -9.286 -11.623 1.00 0.00 C ATOM 1553 OG SER A 104 -10.610 -8.492 -12.273 1.00 0.00 O ATOM 0 H SER A 104 -10.070 -10.595 -9.248 1.00 0.00 H new ATOM 0 HA SER A 104 -10.891 -10.943 -12.073 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.331 -8.809 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.728 -9.334 -12.246 1.00 0.00 H new ATOM 0 HG SER A 104 -10.253 -7.594 -12.436 1.00 0.00 H new