USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 891 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 13 HIS :FLIP no HE2:sc= -1.16 F(o=-7.6,f=-6.4) USER MOD Set 1.2: A 86 ASN : amide:sc= -5.25! C(o=-6.4!,f=-9.1!) USER MOD Set 2.1: A 37 TYR OH : rot 150:sc= -0.176 USER MOD Set 2.2: A 41 LYS NZ :NH3+ -129:sc= 0.112 (180deg=-0.0822) USER MOD Set 3.1: A 26 SER OG : rot 180:sc= 0.00106 USER MOD Set 3.2: A 36 LYS NZ :NH3+ -128:sc=0.000509 (180deg=-0.000377) USER MOD Set 4.1: A 22 ASN : amide:sc= -0.0766 K(o=-0.81,f=-1.6) USER MOD Set 4.2: A 117 THR OG1 : rot 180:sc= -0.736 USER MOD Set 5.1: A 19 THR OG1 : rot 86:sc= 1.09 USER MOD Set 5.2: A 122 SER OG : rot -18:sc= 0.125 USER MOD Set 6.1: A 15 ASN : amide:sc= 0 X(o=-0.083,f=-0.57) USER MOD Set 6.2: A 17 ASN : amide:sc= -0.083 K(o=-0.083,f=-2.7!) USER MOD Single : A 11 SER OG : rot -21:sc= 0.604 USER MOD Single : A 12 GLN : amide:sc= -2.49 X(o=-2.5,f=-2.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0237 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 31 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -97:sc= 1.41 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 39 GLN : amide:sc= -0.0412 X(o=-0.041,f=0) USER MOD Single : A 40 THR OG1 : rot 89:sc= 0.55 USER MOD Single : A 43 SER OG : rot 150:sc= -0.0112 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.899 X(o=-0.9,f=-0.41) USER MOD Single : A 54 ASN : amide:sc= 0.011 X(o=0.011,f=-0.14) USER MOD Single : A 55 SER OG : rot 11:sc= -0.0156 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -119:sc= -0.16 (180deg=-0.48) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 80:sc= -2.99! USER MOD Single : A 65 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.023) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc=-0.00678 X(o=-0.0068,f=0) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -6.3! C(o=-7.8!,f=-6.3!) USER MOD Single : A 79 THR OG1 : rot -36:sc= -0.438 USER MOD Single : A 83 SER OG : rot -125:sc= -4.04! USER MOD Single : A 85 CYS SG : rot -70:sc= -11.5! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 137:sc= -4.38! (180deg=-7.47!) USER MOD Single : A 107 THR OG1 : rot -78:sc= -1.05 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 109 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.3!) USER MOD Single : A 111 THR OG1 : rot -61:sc= 1.25 USER MOD Single : A 112 GLN : amide:sc= -0.257 K(o=-0.26,f=-1.3!) USER MOD Single : A 115 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.6!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0.0416 USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 11 0.823 18.716 -5.809 1.00 0.00 N ATOM 102 CA SER A 11 1.162 17.413 -5.250 1.00 0.00 C ATOM 103 C SER A 11 1.324 16.372 -6.352 1.00 0.00 C ATOM 104 O SER A 11 1.224 16.688 -7.537 1.00 0.00 O ATOM 105 CB SER A 11 0.084 16.963 -4.262 1.00 0.00 C ATOM 106 OG SER A 11 -1.176 17.519 -4.593 1.00 0.00 O ATOM 0 HA SER A 11 2.112 17.508 -4.724 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.016 15.875 -4.263 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.364 17.264 -3.252 1.00 0.00 H new ATOM 0 HG SER A 11 -1.046 18.317 -5.147 1.00 0.00 H new ATOM 111 N GLN A 12 1.577 15.130 -5.954 1.00 0.00 N ATOM 112 CA GLN A 12 1.755 14.042 -6.908 1.00 0.00 C ATOM 113 C GLN A 12 0.959 12.810 -6.486 1.00 0.00 C ATOM 114 O GLN A 12 0.801 12.539 -5.295 1.00 0.00 O ATOM 115 CB GLN A 12 3.237 13.685 -7.039 1.00 0.00 C ATOM 116 CG GLN A 12 3.966 13.599 -5.707 1.00 0.00 C ATOM 117 CD GLN A 12 5.463 13.790 -5.850 1.00 0.00 C ATOM 118 OE1 GLN A 12 6.104 13.157 -6.691 1.00 0.00 O ATOM 119 NE2 GLN A 12 6.031 14.663 -5.026 1.00 0.00 N ATOM 0 H GLN A 12 1.663 14.852 -4.977 1.00 0.00 H new ATOM 0 HA GLN A 12 1.383 14.379 -7.876 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.327 12.729 -7.555 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.727 14.431 -7.664 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.570 14.356 -5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.769 12.629 -5.251 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.462 15.166 -4.345 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.036 14.831 -5.075 1.00 0.00 H new ATOM 128 N HIS A 13 0.460 12.070 -7.470 1.00 0.00 N ATOM 129 CA HIS A 13 -0.321 10.868 -7.203 1.00 0.00 C ATOM 130 C HIS A 13 0.228 9.676 -7.981 1.00 0.00 C ATOM 131 O HIS A 13 0.099 9.608 -9.204 1.00 0.00 O ATOM 132 CB HIS A 13 -1.788 11.095 -7.569 1.00 0.00 C ATOM 133 CG HIS A 13 -2.421 12.229 -6.824 1.00 0.00 C ATOM 134 ND1 HIS A 13 -2.157 12.743 -5.600 1.00 0.00 N flip ATOM 135 CD2 HIS A 13 -3.462 12.977 -7.333 1.00 0.00 C flip ATOM 136 CE1 HIS A 13 -3.033 13.779 -5.395 1.00 0.00 C flip ATOM 137 NE2 HIS A 13 -3.810 13.901 -6.455 1.00 0.00 N flip ATOM 0 H HIS A 13 0.583 12.282 -8.460 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.248 10.649 -6.138 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.862 11.288 -8.639 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.349 10.182 -7.370 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -1.440 12.420 -4.950 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.921 12.830 -8.299 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.079 14.395 -4.509 1.00 0.00 H new ATOM 146 N PHE A 14 0.838 8.737 -7.265 1.00 0.00 N ATOM 147 CA PHE A 14 1.402 7.546 -7.889 1.00 0.00 C ATOM 148 C PHE A 14 0.418 6.382 -7.819 1.00 0.00 C ATOM 149 O PHE A 14 0.044 5.936 -6.734 1.00 0.00 O ATOM 150 CB PHE A 14 2.718 7.162 -7.209 1.00 0.00 C ATOM 151 CG PHE A 14 3.780 8.220 -7.317 1.00 0.00 C ATOM 152 CD1 PHE A 14 4.604 8.281 -8.428 1.00 0.00 C ATOM 153 CD2 PHE A 14 3.951 9.153 -6.307 1.00 0.00 C ATOM 154 CE1 PHE A 14 5.582 9.253 -8.530 1.00 0.00 C ATOM 155 CE2 PHE A 14 4.927 10.127 -6.403 1.00 0.00 C ATOM 156 CZ PHE A 14 5.743 10.177 -7.516 1.00 0.00 C ATOM 0 H PHE A 14 0.954 8.778 -6.252 1.00 0.00 H new ATOM 0 HA PHE A 14 1.598 7.771 -8.937 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.527 6.956 -6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.090 6.238 -7.652 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.481 7.561 -9.224 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.315 9.119 -5.435 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.219 9.290 -9.401 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.051 10.848 -5.609 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.506 10.937 -7.593 1.00 0.00 H new ATOM 166 N ASN A 15 0.000 5.897 -8.983 1.00 0.00 N ATOM 167 CA ASN A 15 -0.945 4.788 -9.056 1.00 0.00 C ATOM 168 C ASN A 15 -0.385 3.542 -8.376 1.00 0.00 C ATOM 169 O ASN A 15 0.649 3.013 -8.783 1.00 0.00 O ATOM 170 CB ASN A 15 -1.285 4.480 -10.517 1.00 0.00 C ATOM 171 CG ASN A 15 -2.740 4.755 -10.842 1.00 0.00 C ATOM 172 OD1 ASN A 15 -3.584 3.862 -10.773 1.00 0.00 O ATOM 173 ND2 ASN A 15 -3.040 5.998 -11.200 1.00 0.00 N ATOM 0 H ASN A 15 0.301 6.255 -9.890 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.853 5.083 -8.531 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.650 5.080 -11.169 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.060 3.434 -10.727 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.003 6.244 -11.431 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.308 6.707 -11.244 1.00 0.00 H new ATOM 180 N LEU A 16 -1.078 3.077 -7.342 1.00 0.00 N ATOM 181 CA LEU A 16 -0.655 1.889 -6.609 1.00 0.00 C ATOM 182 C LEU A 16 -1.424 0.662 -7.088 1.00 0.00 C ATOM 183 O LEU A 16 -2.653 0.674 -7.148 1.00 0.00 O ATOM 184 CB LEU A 16 -0.869 2.086 -5.107 1.00 0.00 C ATOM 185 CG LEU A 16 -0.212 1.031 -4.216 1.00 0.00 C ATOM 186 CD1 LEU A 16 1.304 1.142 -4.283 1.00 0.00 C ATOM 187 CD2 LEU A 16 -0.698 1.170 -2.780 1.00 0.00 C ATOM 0 H LEU A 16 -1.935 3.505 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 16 0.407 1.731 -6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.485 3.067 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.940 2.093 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.498 0.045 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.753 0.383 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.635 0.991 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.612 2.131 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.221 0.412 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.442 2.161 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.779 1.037 -2.747 1.00 0.00 H new ATOM 199 N ASN A 17 -0.696 -0.395 -7.433 1.00 0.00 N ATOM 200 CA ASN A 17 -1.319 -1.622 -7.912 1.00 0.00 C ATOM 201 C ASN A 17 -0.530 -2.854 -7.478 1.00 0.00 C ATOM 202 O ASN A 17 0.696 -2.889 -7.581 1.00 0.00 O ATOM 203 CB ASN A 17 -1.443 -1.595 -9.435 1.00 0.00 C ATOM 204 CG ASN A 17 -2.630 -0.776 -9.905 1.00 0.00 C ATOM 205 OD1 ASN A 17 -3.737 -1.292 -10.047 1.00 0.00 O ATOM 206 ND2 ASN A 17 -2.402 0.509 -10.151 1.00 0.00 N ATOM 0 H ASN A 17 0.323 -0.426 -7.390 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.314 -1.682 -7.470 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.529 -1.184 -9.864 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.539 -2.615 -9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.162 1.110 -10.471 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.467 0.895 -10.020 1.00 0.00 H new ATOM 213 N PHE A 18 -1.248 -3.866 -7.002 1.00 0.00 N ATOM 214 CA PHE A 18 -0.628 -5.110 -6.558 1.00 0.00 C ATOM 215 C PHE A 18 -1.693 -6.162 -6.268 1.00 0.00 C ATOM 216 O PHE A 18 -2.516 -5.997 -5.367 1.00 0.00 O ATOM 217 CB PHE A 18 0.233 -4.872 -5.316 1.00 0.00 C ATOM 218 CG PHE A 18 -0.543 -4.388 -4.124 1.00 0.00 C ATOM 219 CD1 PHE A 18 -1.015 -3.087 -4.071 1.00 0.00 C ATOM 220 CD2 PHE A 18 -0.796 -5.234 -3.056 1.00 0.00 C ATOM 221 CE1 PHE A 18 -1.726 -2.637 -2.975 1.00 0.00 C ATOM 222 CE2 PHE A 18 -1.506 -4.791 -1.957 1.00 0.00 C ATOM 223 CZ PHE A 18 -1.973 -3.490 -1.916 1.00 0.00 C ATOM 0 H PHE A 18 -2.264 -3.849 -6.914 1.00 0.00 H new ATOM 0 HA PHE A 18 0.015 -5.475 -7.359 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.741 -5.800 -5.054 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.006 -4.142 -5.556 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.825 -2.416 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.434 -6.251 -3.083 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.088 -1.620 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.696 -5.460 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.529 -3.141 -1.059 1.00 0.00 H new ATOM 233 N THR A 19 -1.678 -7.241 -7.045 1.00 0.00 N ATOM 234 CA THR A 19 -2.649 -8.317 -6.882 1.00 0.00 C ATOM 235 C THR A 19 -2.296 -9.207 -5.696 1.00 0.00 C ATOM 236 O THR A 19 -1.151 -9.631 -5.541 1.00 0.00 O ATOM 237 CB THR A 19 -2.722 -9.158 -8.158 1.00 0.00 C ATOM 238 OG1 THR A 19 -2.918 -8.333 -9.292 1.00 0.00 O ATOM 239 CG2 THR A 19 -3.839 -10.181 -8.137 1.00 0.00 C ATOM 0 H THR A 19 -1.003 -7.393 -7.794 1.00 0.00 H new ATOM 0 HA THR A 19 -3.622 -7.864 -6.690 1.00 0.00 H new ATOM 0 HB THR A 19 -1.769 -9.684 -8.212 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.051 -8.007 -9.613 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.835 -10.743 -9.071 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.691 -10.865 -7.301 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.796 -9.672 -8.024 1.00 0.00 H new ATOM 247 N ILE A 20 -3.293 -9.491 -4.865 1.00 0.00 N ATOM 248 CA ILE A 20 -3.098 -10.339 -3.695 1.00 0.00 C ATOM 249 C ILE A 20 -3.513 -11.777 -3.992 1.00 0.00 C ATOM 250 O ILE A 20 -4.594 -12.023 -4.527 1.00 0.00 O ATOM 251 CB ILE A 20 -3.901 -9.822 -2.485 1.00 0.00 C ATOM 252 CG1 ILE A 20 -3.613 -8.339 -2.246 1.00 0.00 C ATOM 253 CG2 ILE A 20 -3.574 -10.637 -1.242 1.00 0.00 C ATOM 254 CD1 ILE A 20 -4.713 -7.625 -1.488 1.00 0.00 C ATOM 0 H ILE A 20 -4.246 -9.146 -4.980 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.036 -10.310 -3.452 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.963 -9.935 -2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.679 -8.243 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.466 -7.846 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.149 -10.259 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.828 -11.683 -1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.510 -10.554 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.442 -6.578 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.644 -7.690 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.846 -8.093 -0.512 1.00 0.00 H new ATOM 266 N THR A 21 -2.647 -12.723 -3.643 1.00 0.00 N ATOM 267 CA THR A 21 -2.925 -14.136 -3.874 1.00 0.00 C ATOM 268 C THR A 21 -3.483 -14.796 -2.616 1.00 0.00 C ATOM 269 O THR A 21 -3.253 -15.980 -2.369 1.00 0.00 O ATOM 270 CB THR A 21 -1.657 -14.862 -4.325 1.00 0.00 C ATOM 271 OG1 THR A 21 -0.538 -14.440 -3.563 1.00 0.00 O ATOM 272 CG2 THR A 21 -1.328 -14.639 -5.786 1.00 0.00 C ATOM 0 H THR A 21 -1.748 -12.537 -3.200 1.00 0.00 H new ATOM 0 HA THR A 21 -3.675 -14.207 -4.662 1.00 0.00 H new ATOM 0 HB THR A 21 -1.861 -15.922 -4.172 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.263 -14.917 -3.866 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.418 -15.181 -6.041 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.150 -15.000 -6.403 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.179 -13.575 -5.967 1.00 0.00 H new ATOM 280 N ASN A 22 -4.220 -14.022 -1.826 1.00 0.00 N ATOM 281 CA ASN A 22 -4.816 -14.528 -0.596 1.00 0.00 C ATOM 282 C ASN A 22 -6.158 -13.856 -0.328 1.00 0.00 C ATOM 283 O ASN A 22 -6.563 -13.690 0.822 1.00 0.00 O ATOM 284 CB ASN A 22 -3.871 -14.297 0.586 1.00 0.00 C ATOM 285 CG ASN A 22 -4.133 -15.254 1.732 1.00 0.00 C ATOM 286 OD1 ASN A 22 -4.423 -16.431 1.519 1.00 0.00 O ATOM 287 ND2 ASN A 22 -4.032 -14.751 2.957 1.00 0.00 N ATOM 0 H ASN A 22 -4.419 -13.040 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.982 -15.599 -0.715 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.840 -14.410 0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.981 -13.272 0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.197 -15.347 3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.789 -13.769 3.087 1.00 0.00 H new ATOM 294 N LEU A 23 -6.844 -13.470 -1.400 1.00 0.00 N ATOM 295 CA LEU A 23 -8.141 -12.815 -1.284 1.00 0.00 C ATOM 296 C LEU A 23 -9.070 -13.247 -2.419 1.00 0.00 C ATOM 297 O LEU A 23 -8.906 -12.816 -3.559 1.00 0.00 O ATOM 298 CB LEU A 23 -7.968 -11.295 -1.304 1.00 0.00 C ATOM 299 CG LEU A 23 -9.024 -10.513 -0.520 1.00 0.00 C ATOM 300 CD1 LEU A 23 -10.382 -10.628 -1.196 1.00 0.00 C ATOM 301 CD2 LEU A 23 -9.096 -11.010 0.915 1.00 0.00 C ATOM 0 H LEU A 23 -6.522 -13.600 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.590 -13.112 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.985 -11.051 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.982 -10.957 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.736 -9.462 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.121 -10.066 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.321 -10.225 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.678 -11.676 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.852 -10.443 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.361 -12.067 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.127 -10.876 1.395 1.00 0.00 H new ATOM 313 N PRO A 24 -10.061 -14.109 -2.123 1.00 0.00 N ATOM 314 CA PRO A 24 -11.010 -14.591 -3.132 1.00 0.00 C ATOM 315 C PRO A 24 -11.926 -13.484 -3.643 1.00 0.00 C ATOM 316 O PRO A 24 -12.340 -12.607 -2.885 1.00 0.00 O ATOM 317 CB PRO A 24 -11.821 -15.654 -2.385 1.00 0.00 C ATOM 318 CG PRO A 24 -11.700 -15.286 -0.948 1.00 0.00 C ATOM 319 CD PRO A 24 -10.335 -14.679 -0.790 1.00 0.00 C ATOM 0 HA PRO A 24 -10.501 -14.971 -4.018 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.863 -15.655 -2.707 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.429 -16.654 -2.571 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.477 -14.579 -0.660 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.814 -16.162 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.323 -13.913 -0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.592 -15.426 -0.512 1.00 0.00 H new ATOM 327 N TYR A 25 -12.237 -13.531 -4.934 1.00 0.00 N ATOM 328 CA TYR A 25 -13.104 -12.532 -5.548 1.00 0.00 C ATOM 329 C TYR A 25 -14.508 -13.088 -5.761 1.00 0.00 C ATOM 330 O TYR A 25 -14.689 -14.102 -6.435 1.00 0.00 O ATOM 331 CB TYR A 25 -12.517 -12.071 -6.884 1.00 0.00 C ATOM 332 CG TYR A 25 -13.094 -10.765 -7.381 1.00 0.00 C ATOM 333 CD1 TYR A 25 -14.436 -10.661 -7.726 1.00 0.00 C ATOM 334 CD2 TYR A 25 -12.296 -9.634 -7.505 1.00 0.00 C ATOM 335 CE1 TYR A 25 -14.966 -9.469 -8.180 1.00 0.00 C ATOM 336 CE2 TYR A 25 -12.819 -8.438 -7.959 1.00 0.00 C ATOM 337 CZ TYR A 25 -14.154 -8.361 -8.295 1.00 0.00 C ATOM 338 OH TYR A 25 -14.678 -7.172 -8.747 1.00 0.00 O ATOM 0 H TYR A 25 -11.902 -14.250 -5.575 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.170 -11.678 -4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -11.437 -11.965 -6.779 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.690 -12.843 -7.633 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -15.075 -11.527 -7.638 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.250 -9.691 -7.242 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -16.011 -9.405 -8.444 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.185 -7.568 -8.050 1.00 0.00 H new ATOM 0 HH TYR A 25 -13.974 -6.491 -8.768 1.00 0.00 H new ATOM 348 N SER A 26 -15.498 -12.417 -5.182 1.00 0.00 N ATOM 349 CA SER A 26 -16.887 -12.845 -5.309 1.00 0.00 C ATOM 350 C SER A 26 -17.770 -11.691 -5.771 1.00 0.00 C ATOM 351 O SER A 26 -17.303 -10.565 -5.938 1.00 0.00 O ATOM 352 CB SER A 26 -17.398 -13.390 -3.974 1.00 0.00 C ATOM 353 OG SER A 26 -17.773 -12.337 -3.103 1.00 0.00 O ATOM 0 H SER A 26 -15.365 -11.576 -4.621 1.00 0.00 H new ATOM 0 HA SER A 26 -16.931 -13.636 -6.058 1.00 0.00 H new ATOM 0 HB2 SER A 26 -18.252 -14.044 -4.148 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.623 -13.996 -3.504 1.00 0.00 H new ATOM 0 HG SER A 26 -18.098 -12.712 -2.258 1.00 0.00 H new ATOM 359 N GLN A 27 -19.051 -11.979 -5.979 1.00 0.00 N ATOM 360 CA GLN A 27 -20.001 -10.966 -6.424 1.00 0.00 C ATOM 361 C GLN A 27 -20.112 -9.839 -5.402 1.00 0.00 C ATOM 362 O GLN A 27 -20.364 -8.687 -5.759 1.00 0.00 O ATOM 363 CB GLN A 27 -21.377 -11.593 -6.658 1.00 0.00 C ATOM 364 CG GLN A 27 -21.954 -12.272 -5.426 1.00 0.00 C ATOM 365 CD GLN A 27 -23.339 -12.839 -5.668 1.00 0.00 C ATOM 366 OE1 GLN A 27 -24.148 -12.248 -6.382 1.00 0.00 O ATOM 367 NE2 GLN A 27 -23.618 -13.992 -5.071 1.00 0.00 N ATOM 0 H GLN A 27 -19.455 -12.906 -5.846 1.00 0.00 H new ATOM 0 HA GLN A 27 -19.635 -10.549 -7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -22.068 -10.819 -6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.302 -12.323 -7.464 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -21.287 -13.075 -5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -21.997 -11.554 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -22.916 -14.447 -4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -24.534 -14.422 -5.196 1.00 0.00 H new ATOM 376 N ASP A 28 -19.924 -10.177 -4.131 1.00 0.00 N ATOM 377 CA ASP A 28 -20.004 -9.193 -3.058 1.00 0.00 C ATOM 378 C ASP A 28 -18.964 -8.094 -3.250 1.00 0.00 C ATOM 379 O ASP A 28 -19.281 -6.906 -3.174 1.00 0.00 O ATOM 380 CB ASP A 28 -19.803 -9.869 -1.701 1.00 0.00 C ATOM 381 CG ASP A 28 -20.997 -10.711 -1.294 1.00 0.00 C ATOM 382 OD1 ASP A 28 -21.373 -11.619 -2.062 1.00 0.00 O ATOM 383 OD2 ASP A 28 -21.556 -10.460 -0.205 1.00 0.00 O ATOM 0 H ASP A 28 -19.715 -11.125 -3.819 1.00 0.00 H new ATOM 0 HA ASP A 28 -20.995 -8.741 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.914 -10.498 -1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -19.622 -9.108 -0.942 1.00 0.00 H new ATOM 388 N ILE A 29 -17.723 -8.496 -3.500 1.00 0.00 N ATOM 389 CA ILE A 29 -16.637 -7.544 -3.703 1.00 0.00 C ATOM 390 C ILE A 29 -16.927 -6.625 -4.886 1.00 0.00 C ATOM 391 O ILE A 29 -16.465 -5.485 -4.927 1.00 0.00 O ATOM 392 CB ILE A 29 -15.294 -8.263 -3.939 1.00 0.00 C ATOM 393 CG1 ILE A 29 -15.034 -9.287 -2.831 1.00 0.00 C ATOM 394 CG2 ILE A 29 -14.157 -7.255 -4.011 1.00 0.00 C ATOM 395 CD1 ILE A 29 -15.053 -8.691 -1.440 1.00 0.00 C ATOM 0 H ILE A 29 -17.444 -9.475 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 29 -16.564 -6.948 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 29 -15.347 -8.791 -4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -15.786 -10.074 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.066 -9.758 -3.003 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.216 -7.779 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -14.337 -6.562 -4.833 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.102 -6.701 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.862 -9.474 -0.706 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -14.282 -7.924 -1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -16.029 -8.245 -1.249 1.00 0.00 H new ATOM 407 N ALA A 30 -17.695 -7.127 -5.847 1.00 0.00 N ATOM 408 CA ALA A 30 -18.046 -6.349 -7.030 1.00 0.00 C ATOM 409 C ALA A 30 -18.965 -5.183 -6.675 1.00 0.00 C ATOM 410 O ALA A 30 -19.092 -4.228 -7.441 1.00 0.00 O ATOM 411 CB ALA A 30 -18.704 -7.243 -8.070 1.00 0.00 C ATOM 0 H ALA A 30 -18.086 -8.069 -5.830 1.00 0.00 H new ATOM 0 HA ALA A 30 -17.127 -5.936 -7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -18.961 -6.651 -8.948 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -18.014 -8.036 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -19.609 -7.683 -7.651 1.00 0.00 H new ATOM 417 N GLN A 31 -19.606 -5.264 -5.511 1.00 0.00 N ATOM 418 CA GLN A 31 -20.513 -4.213 -5.063 1.00 0.00 C ATOM 419 C GLN A 31 -20.135 -3.728 -3.663 1.00 0.00 C ATOM 420 O GLN A 31 -20.245 -4.477 -2.692 1.00 0.00 O ATOM 421 CB GLN A 31 -21.955 -4.723 -5.066 1.00 0.00 C ATOM 422 CG GLN A 31 -22.567 -4.808 -6.455 1.00 0.00 C ATOM 423 CD GLN A 31 -23.509 -3.656 -6.749 1.00 0.00 C ATOM 424 OE1 GLN A 31 -24.650 -3.863 -7.162 1.00 0.00 O ATOM 425 NE2 GLN A 31 -23.033 -2.434 -6.538 1.00 0.00 N ATOM 0 H GLN A 31 -19.513 -6.046 -4.863 1.00 0.00 H new ATOM 0 HA GLN A 31 -20.429 -3.374 -5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -21.984 -5.710 -4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -22.566 -4.065 -4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -21.770 -4.820 -7.199 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -23.108 -5.749 -6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -22.080 -2.310 -6.195 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -23.620 -1.620 -6.719 1.00 0.00 H new ATOM 434 N PRO A 32 -19.683 -2.467 -3.537 1.00 0.00 N ATOM 435 CA PRO A 32 -19.292 -1.895 -2.244 1.00 0.00 C ATOM 436 C PRO A 32 -20.387 -2.035 -1.190 1.00 0.00 C ATOM 437 O PRO A 32 -20.112 -2.018 0.009 1.00 0.00 O ATOM 438 CB PRO A 32 -19.046 -0.419 -2.564 1.00 0.00 C ATOM 439 CG PRO A 32 -18.714 -0.396 -4.015 1.00 0.00 C ATOM 440 CD PRO A 32 -19.518 -1.501 -4.640 1.00 0.00 C ATOM 0 HA PRO A 32 -18.425 -2.404 -1.823 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -19.928 0.185 -2.350 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.230 -0.015 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.965 0.568 -4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -17.647 -0.552 -4.174 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.479 -1.141 -5.007 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.999 -1.945 -5.489 1.00 0.00 H new ATOM 448 N SER A 33 -21.630 -2.169 -1.644 1.00 0.00 N ATOM 449 CA SER A 33 -22.766 -2.309 -0.738 1.00 0.00 C ATOM 450 C SER A 33 -22.563 -3.479 0.220 1.00 0.00 C ATOM 451 O SER A 33 -23.061 -3.465 1.347 1.00 0.00 O ATOM 452 CB SER A 33 -24.057 -2.505 -1.533 1.00 0.00 C ATOM 453 OG SER A 33 -25.196 -2.306 -0.713 1.00 0.00 O ATOM 0 H SER A 33 -21.876 -2.184 -2.634 1.00 0.00 H new ATOM 0 HA SER A 33 -22.842 -1.394 -0.151 1.00 0.00 H new ATOM 0 HB2 SER A 33 -24.082 -1.808 -2.370 1.00 0.00 H new ATOM 0 HB3 SER A 33 -24.079 -3.510 -1.954 1.00 0.00 H new ATOM 0 HG SER A 33 -26.009 -2.435 -1.245 1.00 0.00 H new ATOM 459 N THR A 34 -21.831 -4.492 -0.233 1.00 0.00 N ATOM 460 CA THR A 34 -21.565 -5.669 0.586 1.00 0.00 C ATOM 461 C THR A 34 -20.533 -5.358 1.666 1.00 0.00 C ATOM 462 O THR A 34 -19.816 -4.361 1.586 1.00 0.00 O ATOM 463 CB THR A 34 -21.075 -6.825 -0.287 1.00 0.00 C ATOM 464 OG1 THR A 34 -19.762 -6.574 -0.759 1.00 0.00 O ATOM 465 CG2 THR A 34 -21.955 -7.081 -1.490 1.00 0.00 C ATOM 0 H THR A 34 -21.412 -4.521 -1.162 1.00 0.00 H new ATOM 0 HA THR A 34 -22.496 -5.961 1.072 1.00 0.00 H new ATOM 0 HB THR A 34 -21.103 -7.705 0.355 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.806 -6.201 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.551 -7.913 -2.066 1.00 0.00 H new ATOM 0 HG22 THR A 34 -22.964 -7.326 -1.157 1.00 0.00 H new ATOM 0 HG23 THR A 34 -21.986 -6.188 -2.115 1.00 0.00 H new ATOM 473 N THR A 35 -20.466 -6.220 2.677 1.00 0.00 N ATOM 474 CA THR A 35 -19.522 -6.039 3.774 1.00 0.00 C ATOM 475 C THR A 35 -18.143 -6.577 3.406 1.00 0.00 C ATOM 476 O THR A 35 -17.124 -6.083 3.888 1.00 0.00 O ATOM 477 CB THR A 35 -20.035 -6.737 5.034 1.00 0.00 C ATOM 478 OG1 THR A 35 -21.402 -6.439 5.253 1.00 0.00 O ATOM 479 CG2 THR A 35 -19.274 -6.349 6.285 1.00 0.00 C ATOM 0 H THR A 35 -21.054 -7.050 2.759 1.00 0.00 H new ATOM 0 HA THR A 35 -19.432 -4.970 3.968 1.00 0.00 H new ATOM 0 HB THR A 35 -19.888 -7.802 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.711 -6.897 6.063 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.688 -6.880 7.142 1.00 0.00 H new ATOM 0 HG22 THR A 35 -18.223 -6.613 6.168 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.362 -5.275 6.446 1.00 0.00 H new ATOM 487 N LYS A 36 -18.119 -7.594 2.549 1.00 0.00 N ATOM 488 CA LYS A 36 -16.864 -8.199 2.116 1.00 0.00 C ATOM 489 C LYS A 36 -15.960 -7.167 1.449 1.00 0.00 C ATOM 490 O LYS A 36 -14.735 -7.276 1.500 1.00 0.00 O ATOM 491 CB LYS A 36 -17.139 -9.355 1.151 1.00 0.00 C ATOM 492 CG LYS A 36 -16.187 -10.528 1.322 1.00 0.00 C ATOM 493 CD LYS A 36 -16.496 -11.643 0.335 1.00 0.00 C ATOM 494 CE LYS A 36 -15.405 -12.701 0.331 1.00 0.00 C ATOM 495 NZ LYS A 36 -15.317 -13.403 -0.980 1.00 0.00 N ATOM 0 H LYS A 36 -18.953 -8.016 2.141 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.352 -8.584 2.998 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.162 -9.703 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.070 -8.987 0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.161 -10.189 1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.259 -10.911 2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.450 -12.104 0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.603 -11.225 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.446 -12.235 0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.601 -13.428 1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.353 -14.431 -0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.114 -13.115 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.422 -13.154 -1.448 1.00 0.00 H new ATOM 509 N TYR A 37 -16.572 -6.168 0.821 1.00 0.00 N ATOM 510 CA TYR A 37 -15.821 -5.118 0.143 1.00 0.00 C ATOM 511 C TYR A 37 -15.327 -4.073 1.136 1.00 0.00 C ATOM 512 O TYR A 37 -14.136 -3.763 1.186 1.00 0.00 O ATOM 513 CB TYR A 37 -16.687 -4.452 -0.926 1.00 0.00 C ATOM 514 CG TYR A 37 -15.960 -3.386 -1.716 1.00 0.00 C ATOM 515 CD1 TYR A 37 -15.267 -3.707 -2.877 1.00 0.00 C ATOM 516 CD2 TYR A 37 -15.967 -2.060 -1.301 1.00 0.00 C ATOM 517 CE1 TYR A 37 -14.602 -2.736 -3.600 1.00 0.00 C ATOM 518 CE2 TYR A 37 -15.304 -1.084 -2.019 1.00 0.00 C ATOM 519 CZ TYR A 37 -14.623 -1.427 -3.168 1.00 0.00 C ATOM 520 OH TYR A 37 -13.960 -0.458 -3.886 1.00 0.00 O ATOM 0 H TYR A 37 -17.585 -6.064 0.768 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.955 -5.577 -0.334 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.053 -5.215 -1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.560 -4.007 -0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.248 -4.731 -3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.500 -1.788 -0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.068 -3.001 -4.500 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.319 -0.058 -1.682 1.00 0.00 H new ATOM 0 HH TYR A 37 -14.419 0.401 -3.777 1.00 0.00 H new ATOM 530 N GLN A 38 -16.248 -3.532 1.927 1.00 0.00 N ATOM 531 CA GLN A 38 -15.906 -2.520 2.920 1.00 0.00 C ATOM 532 C GLN A 38 -14.897 -3.065 3.925 1.00 0.00 C ATOM 533 O GLN A 38 -14.070 -2.322 4.453 1.00 0.00 O ATOM 534 CB GLN A 38 -17.166 -2.046 3.648 1.00 0.00 C ATOM 535 CG GLN A 38 -18.244 -1.519 2.717 1.00 0.00 C ATOM 536 CD GLN A 38 -19.413 -0.909 3.466 1.00 0.00 C ATOM 537 OE1 GLN A 38 -19.544 -1.077 4.678 1.00 0.00 O ATOM 538 NE2 GLN A 38 -20.269 -0.194 2.745 1.00 0.00 N ATOM 0 H GLN A 38 -17.238 -3.778 1.900 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.454 -1.674 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -17.573 -2.873 4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -16.894 -1.263 4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -17.812 -0.770 2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -18.605 -2.332 2.088 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -20.121 -0.081 1.742 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -21.074 0.242 3.194 1.00 0.00 H new ATOM 547 N GLN A 39 -14.971 -4.366 4.186 1.00 0.00 N ATOM 548 CA GLN A 39 -14.064 -5.010 5.128 1.00 0.00 C ATOM 549 C GLN A 39 -12.635 -5.011 4.594 1.00 0.00 C ATOM 550 O GLN A 39 -11.747 -4.379 5.168 1.00 0.00 O ATOM 551 CB GLN A 39 -14.519 -6.444 5.404 1.00 0.00 C ATOM 552 CG GLN A 39 -15.552 -6.552 6.513 1.00 0.00 C ATOM 553 CD GLN A 39 -14.965 -7.074 7.810 1.00 0.00 C ATOM 554 OE1 GLN A 39 -14.920 -6.365 8.815 1.00 0.00 O ATOM 555 NE2 GLN A 39 -14.511 -8.322 7.793 1.00 0.00 N ATOM 0 H GLN A 39 -15.650 -4.995 3.758 1.00 0.00 H new ATOM 0 HA GLN A 39 -14.083 -4.444 6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -14.935 -6.867 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.650 -7.047 5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.995 -5.572 6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -16.357 -7.213 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.568 -8.874 6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.105 -8.729 8.636 1.00 0.00 H new ATOM 564 N THR A 40 -12.420 -5.725 3.495 1.00 0.00 N ATOM 565 CA THR A 40 -11.098 -5.808 2.884 1.00 0.00 C ATOM 566 C THR A 40 -10.612 -4.432 2.444 1.00 0.00 C ATOM 567 O THR A 40 -9.413 -4.155 2.447 1.00 0.00 O ATOM 568 CB THR A 40 -11.126 -6.759 1.686 1.00 0.00 C ATOM 569 OG1 THR A 40 -11.877 -7.922 1.986 1.00 0.00 O ATOM 570 CG2 THR A 40 -9.749 -7.204 1.243 1.00 0.00 C ATOM 0 H THR A 40 -13.144 -6.255 3.009 1.00 0.00 H new ATOM 0 HA THR A 40 -10.405 -6.195 3.631 1.00 0.00 H new ATOM 0 HB THR A 40 -11.585 -6.190 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.819 -7.770 1.762 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.841 -7.876 0.390 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.160 -6.333 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.253 -7.724 2.063 1.00 0.00 H new ATOM 578 N LYS A 41 -11.551 -3.571 2.065 1.00 0.00 N ATOM 579 CA LYS A 41 -11.218 -2.221 1.622 1.00 0.00 C ATOM 580 C LYS A 41 -10.655 -1.393 2.773 1.00 0.00 C ATOM 581 O LYS A 41 -9.825 -0.508 2.566 1.00 0.00 O ATOM 582 CB LYS A 41 -12.453 -1.533 1.039 1.00 0.00 C ATOM 583 CG LYS A 41 -12.163 -0.166 0.441 1.00 0.00 C ATOM 584 CD LYS A 41 -13.400 0.715 0.439 1.00 0.00 C ATOM 585 CE LYS A 41 -13.158 2.015 -0.312 1.00 0.00 C ATOM 586 NZ LYS A 41 -13.453 1.881 -1.765 1.00 0.00 N ATOM 0 H LYS A 41 -12.549 -3.784 2.056 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.455 -2.298 0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.886 -2.173 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.203 -1.426 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.370 0.320 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.798 -0.284 -0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.230 0.178 -0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.692 0.936 1.466 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.781 2.801 0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.121 2.323 -0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.645 2.233 -2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.620 0.880 -1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.301 2.436 -2.000 1.00 0.00 H new ATOM 600 N ARG A 42 -11.113 -1.686 3.987 1.00 0.00 N ATOM 601 CA ARG A 42 -10.654 -0.968 5.170 1.00 0.00 C ATOM 602 C ARG A 42 -9.343 -1.549 5.687 1.00 0.00 C ATOM 603 O ARG A 42 -8.446 -0.814 6.099 1.00 0.00 O ATOM 604 CB ARG A 42 -11.718 -1.020 6.269 1.00 0.00 C ATOM 605 CG ARG A 42 -11.411 -0.122 7.455 1.00 0.00 C ATOM 606 CD ARG A 42 -12.489 -0.219 8.523 1.00 0.00 C ATOM 607 NE ARG A 42 -12.096 -1.101 9.620 1.00 0.00 N ATOM 608 CZ ARG A 42 -12.670 -1.091 10.820 1.00 0.00 C ATOM 609 NH1 ARG A 42 -13.662 -0.249 11.083 1.00 0.00 N ATOM 610 NH2 ARG A 42 -12.252 -1.927 11.761 1.00 0.00 N ATOM 0 H ARG A 42 -11.801 -2.415 4.176 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.482 0.071 4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.680 -0.732 5.845 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.818 -2.048 6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.448 -0.400 7.883 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.324 0.911 7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.701 0.776 8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.412 -0.588 8.074 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.337 -1.763 9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.988 0.395 10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.098 -0.246 12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.491 -2.577 11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.692 -1.920 12.681 1.00 0.00 H new ATOM 624 N SER A 43 -9.239 -2.874 5.664 1.00 0.00 N ATOM 625 CA SER A 43 -8.036 -3.555 6.133 1.00 0.00 C ATOM 626 C SER A 43 -6.814 -3.112 5.334 1.00 0.00 C ATOM 627 O SER A 43 -5.748 -2.865 5.898 1.00 0.00 O ATOM 628 CB SER A 43 -8.208 -5.071 6.025 1.00 0.00 C ATOM 629 OG SER A 43 -7.213 -5.752 6.770 1.00 0.00 O ATOM 0 H SER A 43 -9.972 -3.497 5.326 1.00 0.00 H new ATOM 0 HA SER A 43 -7.881 -3.288 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.196 -5.355 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.154 -5.373 4.979 1.00 0.00 H new ATOM 0 HG SER A 43 -7.572 -6.605 7.091 1.00 0.00 H new ATOM 635 N ILE A 44 -6.976 -3.013 4.019 1.00 0.00 N ATOM 636 CA ILE A 44 -5.886 -2.598 3.144 1.00 0.00 C ATOM 637 C ILE A 44 -5.553 -1.123 3.344 1.00 0.00 C ATOM 638 O ILE A 44 -4.385 -0.750 3.452 1.00 0.00 O ATOM 639 CB ILE A 44 -6.229 -2.843 1.661 1.00 0.00 C ATOM 640 CG1 ILE A 44 -6.706 -4.283 1.455 1.00 0.00 C ATOM 641 CG2 ILE A 44 -5.025 -2.548 0.781 1.00 0.00 C ATOM 642 CD1 ILE A 44 -7.651 -4.445 0.285 1.00 0.00 C ATOM 0 H ILE A 44 -7.851 -3.214 3.536 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.019 -3.202 3.410 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.036 -2.168 1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.839 -4.926 1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.202 -4.626 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.285 -2.726 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.728 -1.507 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.198 -3.199 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.948 -5.490 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.536 -3.828 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.151 -4.133 -0.632 1.00 0.00 H new ATOM 654 N GLU A 45 -6.586 -0.289 3.390 1.00 0.00 N ATOM 655 CA GLU A 45 -6.402 1.146 3.578 1.00 0.00 C ATOM 656 C GLU A 45 -5.698 1.436 4.900 1.00 0.00 C ATOM 657 O GLU A 45 -4.840 2.313 4.979 1.00 0.00 O ATOM 658 CB GLU A 45 -7.752 1.864 3.535 1.00 0.00 C ATOM 659 CG GLU A 45 -7.718 3.179 2.771 1.00 0.00 C ATOM 660 CD GLU A 45 -7.640 4.384 3.688 1.00 0.00 C ATOM 661 OE1 GLU A 45 -6.947 4.298 4.723 1.00 0.00 O ATOM 662 OE2 GLU A 45 -8.272 5.413 3.370 1.00 0.00 O ATOM 0 H GLU A 45 -7.559 -0.581 3.300 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.776 1.517 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.490 1.206 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.085 2.055 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.860 3.182 2.099 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.610 3.257 2.150 1.00 0.00 H new ATOM 669 N ASN A 46 -6.069 0.691 5.937 1.00 0.00 N ATOM 670 CA ASN A 46 -5.473 0.867 7.257 1.00 0.00 C ATOM 671 C ASN A 46 -4.043 0.338 7.281 1.00 0.00 C ATOM 672 O ASN A 46 -3.165 0.919 7.919 1.00 0.00 O ATOM 673 CB ASN A 46 -6.313 0.151 8.317 1.00 0.00 C ATOM 674 CG ASN A 46 -5.772 0.354 9.719 1.00 0.00 C ATOM 675 OD1 ASN A 46 -5.358 1.453 10.085 1.00 0.00 O ATOM 676 ND2 ASN A 46 -5.772 -0.712 10.512 1.00 0.00 N ATOM 0 H ASN A 46 -6.779 -0.040 5.889 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.451 1.934 7.481 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.339 0.516 8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.343 -0.915 8.093 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.419 -0.638 11.466 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.125 -1.604 10.167 1.00 0.00 H new ATOM 683 N ALA A 47 -3.816 -0.770 6.582 1.00 0.00 N ATOM 684 CA ALA A 47 -2.494 -1.379 6.521 1.00 0.00 C ATOM 685 C ALA A 47 -1.523 -0.504 5.737 1.00 0.00 C ATOM 686 O ALA A 47 -0.336 -0.432 6.057 1.00 0.00 O ATOM 687 CB ALA A 47 -2.582 -2.763 5.897 1.00 0.00 C ATOM 0 H ALA A 47 -4.532 -1.264 6.050 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.116 -1.474 7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.588 -3.208 5.857 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.237 -3.393 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.984 -2.682 4.887 1.00 0.00 H new ATOM 693 N LEU A 48 -2.034 0.162 4.706 1.00 0.00 N ATOM 694 CA LEU A 48 -1.212 1.033 3.873 1.00 0.00 C ATOM 695 C LEU A 48 -0.844 2.310 4.620 1.00 0.00 C ATOM 696 O LEU A 48 0.218 2.891 4.392 1.00 0.00 O ATOM 697 CB LEU A 48 -1.950 1.380 2.579 1.00 0.00 C ATOM 698 CG LEU A 48 -2.089 0.226 1.583 1.00 0.00 C ATOM 699 CD1 LEU A 48 -3.101 0.573 0.502 1.00 0.00 C ATOM 700 CD2 LEU A 48 -0.739 -0.108 0.965 1.00 0.00 C ATOM 0 H LEU A 48 -3.014 0.115 4.427 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.294 0.499 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.946 1.743 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.427 2.201 2.089 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.449 -0.652 2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.187 -0.259 -0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.072 0.763 0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.771 1.464 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.855 -0.930 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.352 0.767 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.042 -0.400 1.750 1.00 0.00 H new ATOM 712 N ASN A 49 -1.728 2.745 5.512 1.00 0.00 N ATOM 713 CA ASN A 49 -1.496 3.957 6.292 1.00 0.00 C ATOM 714 C ASN A 49 -0.252 3.816 7.164 1.00 0.00 C ATOM 715 O ASN A 49 0.697 4.589 7.037 1.00 0.00 O ATOM 716 CB ASN A 49 -2.714 4.265 7.164 1.00 0.00 C ATOM 717 CG ASN A 49 -3.019 5.749 7.227 1.00 0.00 C ATOM 718 OD1 ASN A 49 -2.643 6.432 8.179 1.00 0.00 O ATOM 719 ND2 ASN A 49 -3.705 6.254 6.209 1.00 0.00 N ATOM 0 H ASN A 49 -2.612 2.277 5.713 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.336 4.782 5.597 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.582 3.735 6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.540 3.889 8.172 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.941 7.246 6.195 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.996 5.650 5.441 1.00 0.00 H new ATOM 726 N GLN A 50 -0.265 2.825 8.049 1.00 0.00 N ATOM 727 CA GLN A 50 0.861 2.583 8.944 1.00 0.00 C ATOM 728 C GLN A 50 2.138 2.311 8.156 1.00 0.00 C ATOM 729 O GLN A 50 3.239 2.619 8.612 1.00 0.00 O ATOM 730 CB GLN A 50 0.558 1.403 9.869 1.00 0.00 C ATOM 731 CG GLN A 50 0.231 0.117 9.128 1.00 0.00 C ATOM 732 CD GLN A 50 -0.389 -0.932 10.030 1.00 0.00 C ATOM 733 OE1 GLN A 50 0.307 -1.597 10.798 1.00 0.00 O ATOM 734 NE2 GLN A 50 -1.705 -1.088 9.941 1.00 0.00 N ATOM 0 H GLN A 50 -1.043 2.176 8.166 1.00 0.00 H new ATOM 0 HA GLN A 50 1.013 3.479 9.545 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.417 1.230 10.517 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.281 1.664 10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.454 0.338 8.309 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.142 -0.284 8.683 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.244 -0.516 9.291 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.177 -1.780 10.523 1.00 0.00 H new ATOM 743 N LEU A 51 1.986 1.731 6.969 1.00 0.00 N ATOM 744 CA LEU A 51 3.128 1.417 6.119 1.00 0.00 C ATOM 745 C LEU A 51 3.891 2.682 5.740 1.00 0.00 C ATOM 746 O LEU A 51 5.118 2.671 5.642 1.00 0.00 O ATOM 747 CB LEU A 51 2.664 0.686 4.858 1.00 0.00 C ATOM 748 CG LEU A 51 3.768 -0.040 4.086 1.00 0.00 C ATOM 749 CD1 LEU A 51 3.206 -1.258 3.372 1.00 0.00 C ATOM 750 CD2 LEU A 51 4.430 0.903 3.093 1.00 0.00 C ATOM 0 H LEU A 51 1.083 1.469 6.575 1.00 0.00 H new ATOM 0 HA LEU A 51 3.800 0.767 6.680 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.900 -0.039 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.190 1.407 4.192 1.00 0.00 H new ATOM 0 HG LEU A 51 4.522 -0.377 4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.005 -1.762 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.777 -1.943 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.432 -0.944 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.213 0.371 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.685 1.269 2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.867 1.746 3.628 1.00 0.00 H new ATOM 762 N PHE A 52 3.159 3.770 5.527 1.00 0.00 N ATOM 763 CA PHE A 52 3.769 5.042 5.157 1.00 0.00 C ATOM 764 C PHE A 52 4.402 5.717 6.369 1.00 0.00 C ATOM 765 O PHE A 52 5.494 6.276 6.282 1.00 0.00 O ATOM 766 CB PHE A 52 2.725 5.968 4.531 1.00 0.00 C ATOM 767 CG PHE A 52 1.840 5.288 3.526 1.00 0.00 C ATOM 768 CD1 PHE A 52 2.374 4.424 2.583 1.00 0.00 C ATOM 769 CD2 PHE A 52 0.473 5.514 3.523 1.00 0.00 C ATOM 770 CE1 PHE A 52 1.562 3.797 1.657 1.00 0.00 C ATOM 771 CE2 PHE A 52 -0.345 4.891 2.600 1.00 0.00 C ATOM 772 CZ PHE A 52 0.200 4.031 1.665 1.00 0.00 C ATOM 0 H PHE A 52 2.142 3.797 5.604 1.00 0.00 H new ATOM 0 HA PHE A 52 4.553 4.841 4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.105 6.389 5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.235 6.802 4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.438 4.238 2.572 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.042 6.185 4.251 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.991 3.125 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.409 5.076 2.609 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.437 3.543 0.942 1.00 0.00 H new ATOM 782 N ARG A 53 3.705 5.663 7.500 1.00 0.00 N ATOM 783 CA ARG A 53 4.195 6.271 8.732 1.00 0.00 C ATOM 784 C ARG A 53 5.451 5.565 9.235 1.00 0.00 C ATOM 785 O ARG A 53 6.274 6.162 9.928 1.00 0.00 O ATOM 786 CB ARG A 53 3.110 6.232 9.810 1.00 0.00 C ATOM 787 CG ARG A 53 1.893 7.081 9.477 1.00 0.00 C ATOM 788 CD ARG A 53 1.831 8.335 10.338 1.00 0.00 C ATOM 789 NE ARG A 53 0.809 8.235 11.378 1.00 0.00 N ATOM 790 CZ ARG A 53 -0.498 8.321 11.141 1.00 0.00 C ATOM 791 NH1 ARG A 53 -0.946 8.510 9.906 1.00 0.00 N ATOM 792 NH2 ARG A 53 -1.360 8.219 12.144 1.00 0.00 N ATOM 0 H ARG A 53 2.798 5.204 7.589 1.00 0.00 H new ATOM 0 HA ARG A 53 4.450 7.308 8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.793 5.200 9.958 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.534 6.574 10.754 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.922 7.363 8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.987 6.493 9.624 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.803 8.506 10.800 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.622 9.198 9.706 1.00 0.00 H new ATOM 0 HE ARG A 53 1.115 8.091 12.340 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.287 8.590 9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.949 8.575 9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.021 8.075 13.095 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.362 8.285 11.964 1.00 0.00 H new ATOM 806 N ASN A 54 5.591 4.289 8.884 1.00 0.00 N ATOM 807 CA ASN A 54 6.746 3.505 9.306 1.00 0.00 C ATOM 808 C ASN A 54 7.894 3.635 8.309 1.00 0.00 C ATOM 809 O ASN A 54 9.064 3.536 8.679 1.00 0.00 O ATOM 810 CB ASN A 54 6.357 2.033 9.464 1.00 0.00 C ATOM 811 CG ASN A 54 5.709 1.747 10.804 1.00 0.00 C ATOM 812 OD1 ASN A 54 6.258 2.076 11.855 1.00 0.00 O ATOM 813 ND2 ASN A 54 4.535 1.128 10.772 1.00 0.00 N ATOM 0 H ASN A 54 4.920 3.778 8.310 1.00 0.00 H new ATOM 0 HA ASN A 54 7.083 3.893 10.267 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.671 1.754 8.665 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.245 1.411 9.353 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.051 0.907 11.642 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.117 0.874 9.877 1.00 0.00 H new ATOM 820 N SER A 55 7.553 3.854 7.044 1.00 0.00 N ATOM 821 CA SER A 55 8.557 3.994 5.994 1.00 0.00 C ATOM 822 C SER A 55 9.388 5.258 6.197 1.00 0.00 C ATOM 823 O SER A 55 8.984 6.171 6.917 1.00 0.00 O ATOM 824 CB SER A 55 7.888 4.026 4.620 1.00 0.00 C ATOM 825 OG SER A 55 6.770 4.897 4.617 1.00 0.00 O ATOM 0 H SER A 55 6.589 3.939 6.720 1.00 0.00 H new ATOM 0 HA SER A 55 9.222 3.132 6.047 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.608 4.351 3.869 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.570 3.021 4.343 1.00 0.00 H new ATOM 0 HG SER A 55 6.762 5.421 5.445 1.00 0.00 H new ATOM 831 N SER A 56 10.551 5.301 5.555 1.00 0.00 N ATOM 832 CA SER A 56 11.443 6.451 5.661 1.00 0.00 C ATOM 833 C SER A 56 10.756 7.721 5.168 1.00 0.00 C ATOM 834 O SER A 56 11.097 8.826 5.590 1.00 0.00 O ATOM 835 CB SER A 56 12.722 6.205 4.860 1.00 0.00 C ATOM 836 OG SER A 56 13.811 6.933 5.401 1.00 0.00 O ATOM 0 H SER A 56 10.898 4.552 4.955 1.00 0.00 H new ATOM 0 HA SER A 56 11.700 6.584 6.712 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.956 5.140 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.566 6.496 3.821 1.00 0.00 H new ATOM 0 HG SER A 56 14.617 6.757 4.872 1.00 0.00 H new ATOM 842 N ILE A 57 9.787 7.557 4.273 1.00 0.00 N ATOM 843 CA ILE A 57 9.055 8.691 3.723 1.00 0.00 C ATOM 844 C ILE A 57 7.783 8.962 4.523 1.00 0.00 C ATOM 845 O ILE A 57 6.711 9.173 3.954 1.00 0.00 O ATOM 846 CB ILE A 57 8.683 8.458 2.246 1.00 0.00 C ATOM 847 CG1 ILE A 57 7.889 7.159 2.094 1.00 0.00 C ATOM 848 CG2 ILE A 57 9.936 8.423 1.383 1.00 0.00 C ATOM 849 CD1 ILE A 57 7.316 6.960 0.707 1.00 0.00 C ATOM 0 H ILE A 57 9.491 6.650 3.914 1.00 0.00 H new ATOM 0 HA ILE A 57 9.714 9.557 3.789 1.00 0.00 H new ATOM 0 HB ILE A 57 8.057 9.285 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.537 6.316 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.075 7.153 2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.657 8.258 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 57 10.465 9.372 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 57 10.586 7.614 1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.766 6.020 0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.642 7.783 0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.127 6.934 -0.021 1.00 0.00 H new ATOM 861 N LYS A 58 7.910 8.957 5.846 1.00 0.00 N ATOM 862 CA LYS A 58 6.773 9.204 6.724 1.00 0.00 C ATOM 863 C LYS A 58 6.657 10.688 7.060 1.00 0.00 C ATOM 864 O LYS A 58 6.540 11.067 8.225 1.00 0.00 O ATOM 865 CB LYS A 58 6.907 8.384 8.010 1.00 0.00 C ATOM 866 CG LYS A 58 8.111 8.768 8.856 1.00 0.00 C ATOM 867 CD LYS A 58 8.592 7.599 9.702 1.00 0.00 C ATOM 868 CE LYS A 58 10.040 7.778 10.126 1.00 0.00 C ATOM 869 NZ LYS A 58 10.979 7.608 8.982 1.00 0.00 N ATOM 0 H LYS A 58 8.789 8.785 6.333 1.00 0.00 H new ATOM 0 HA LYS A 58 5.867 8.898 6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.002 8.507 8.605 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.978 7.328 7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.919 9.107 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.850 9.605 9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.962 7.505 10.586 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.489 6.673 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.171 8.770 10.559 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.282 7.055 10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.620 6.812 9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.438 7.416 8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.535 8.478 8.857 1.00 0.00 H new ATOM 883 N SER A 59 6.690 11.525 6.028 1.00 0.00 N ATOM 884 CA SER A 59 6.588 12.969 6.210 1.00 0.00 C ATOM 885 C SER A 59 5.752 13.600 5.101 1.00 0.00 C ATOM 886 O SER A 59 4.862 14.409 5.365 1.00 0.00 O ATOM 887 CB SER A 59 7.982 13.600 6.236 1.00 0.00 C ATOM 888 OG SER A 59 8.476 13.691 7.561 1.00 0.00 O ATOM 0 H SER A 59 6.787 11.228 5.057 1.00 0.00 H new ATOM 0 HA SER A 59 6.094 13.156 7.163 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.665 13.005 5.630 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.943 14.594 5.790 1.00 0.00 H new ATOM 0 HG SER A 59 9.368 14.096 7.550 1.00 0.00 H new ATOM 894 N TYR A 60 6.045 13.227 3.860 1.00 0.00 N ATOM 895 CA TYR A 60 5.321 13.758 2.711 1.00 0.00 C ATOM 896 C TYR A 60 4.111 12.890 2.380 1.00 0.00 C ATOM 897 O TYR A 60 3.061 13.396 1.986 1.00 0.00 O ATOM 898 CB TYR A 60 6.247 13.848 1.496 1.00 0.00 C ATOM 899 CG TYR A 60 7.389 14.822 1.676 1.00 0.00 C ATOM 900 CD1 TYR A 60 7.157 16.124 2.103 1.00 0.00 C ATOM 901 CD2 TYR A 60 8.700 14.440 1.421 1.00 0.00 C ATOM 902 CE1 TYR A 60 8.198 17.017 2.269 1.00 0.00 C ATOM 903 CE2 TYR A 60 9.747 15.327 1.585 1.00 0.00 C ATOM 904 CZ TYR A 60 9.490 16.614 2.009 1.00 0.00 C ATOM 905 OH TYR A 60 10.530 17.501 2.173 1.00 0.00 O ATOM 0 H TYR A 60 6.779 12.559 3.624 1.00 0.00 H new ATOM 0 HA TYR A 60 4.968 14.757 2.966 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.654 12.859 1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.662 14.144 0.625 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.146 16.443 2.309 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.904 13.433 1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 60 8.000 18.026 2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.761 15.014 1.382 1.00 0.00 H new ATOM 0 HH TYR A 60 11.375 17.059 1.949 1.00 0.00 H new ATOM 915 N PHE A 61 4.266 11.580 2.544 1.00 0.00 N ATOM 916 CA PHE A 61 3.183 10.642 2.263 1.00 0.00 C ATOM 917 C PHE A 61 1.965 10.943 3.130 1.00 0.00 C ATOM 918 O PHE A 61 2.017 10.825 4.354 1.00 0.00 O ATOM 919 CB PHE A 61 3.651 9.206 2.500 1.00 0.00 C ATOM 920 CG PHE A 61 2.945 8.195 1.641 1.00 0.00 C ATOM 921 CD1 PHE A 61 1.562 8.117 1.635 1.00 0.00 C ATOM 922 CD2 PHE A 61 3.665 7.322 0.841 1.00 0.00 C ATOM 923 CE1 PHE A 61 0.909 7.189 0.845 1.00 0.00 C ATOM 924 CE2 PHE A 61 3.018 6.392 0.050 1.00 0.00 C ATOM 925 CZ PHE A 61 1.638 6.325 0.052 1.00 0.00 C ATOM 0 H PHE A 61 5.129 11.144 2.869 1.00 0.00 H new ATOM 0 HA PHE A 61 2.898 10.756 1.217 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.723 9.146 2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.497 8.951 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.987 8.789 2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.744 7.369 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.170 7.140 0.848 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.591 5.718 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.131 5.598 -0.565 1.00 0.00 H new ATOM 935 N SER A 62 0.869 11.333 2.487 1.00 0.00 N ATOM 936 CA SER A 62 -0.363 11.652 3.199 1.00 0.00 C ATOM 937 C SER A 62 -1.151 10.385 3.519 1.00 0.00 C ATOM 938 O SER A 62 -1.393 10.071 4.684 1.00 0.00 O ATOM 939 CB SER A 62 -1.224 12.607 2.370 1.00 0.00 C ATOM 940 OG SER A 62 -1.761 13.641 3.175 1.00 0.00 O ATOM 0 H SER A 62 0.809 11.436 1.474 1.00 0.00 H new ATOM 0 HA SER A 62 -0.095 12.138 4.137 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.624 13.040 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.034 12.053 1.897 1.00 0.00 H new ATOM 0 HG SER A 62 -2.305 14.238 2.620 1.00 0.00 H new ATOM 946 N ASP A 63 -1.549 9.663 2.477 1.00 0.00 N ATOM 947 CA ASP A 63 -2.310 8.431 2.647 1.00 0.00 C ATOM 948 C ASP A 63 -2.540 7.743 1.306 1.00 0.00 C ATOM 949 O ASP A 63 -2.054 8.200 0.271 1.00 0.00 O ATOM 950 CB ASP A 63 -3.653 8.726 3.318 1.00 0.00 C ATOM 951 CG ASP A 63 -4.468 9.750 2.553 1.00 0.00 C ATOM 952 OD1 ASP A 63 -4.150 10.954 2.649 1.00 0.00 O ATOM 953 OD2 ASP A 63 -5.424 9.348 1.857 1.00 0.00 O ATOM 0 H ASP A 63 -1.357 9.910 1.506 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.732 7.761 3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.224 7.802 3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.478 9.088 4.331 1.00 0.00 H new ATOM 958 N CYS A 64 -3.283 6.642 1.332 1.00 0.00 N ATOM 959 CA CYS A 64 -3.577 5.891 0.116 1.00 0.00 C ATOM 960 C CYS A 64 -5.062 5.969 -0.224 1.00 0.00 C ATOM 961 O CYS A 64 -5.906 6.094 0.662 1.00 0.00 O ATOM 962 CB CYS A 64 -3.157 4.429 0.280 1.00 0.00 C ATOM 963 SG CYS A 64 -2.544 3.664 -1.239 1.00 0.00 S ATOM 0 H CYS A 64 -3.692 6.250 2.180 1.00 0.00 H new ATOM 0 HA CYS A 64 -3.010 6.335 -0.702 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.382 4.368 1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -4.009 3.856 0.645 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.308 4.017 -1.435 1.00 0.00 H new ATOM 969 N GLN A 65 -5.372 5.895 -1.515 1.00 0.00 N ATOM 970 CA GLN A 65 -6.755 5.957 -1.973 1.00 0.00 C ATOM 971 C GLN A 65 -7.129 4.696 -2.745 1.00 0.00 C ATOM 972 O GLN A 65 -6.904 4.607 -3.951 1.00 0.00 O ATOM 973 CB GLN A 65 -6.968 7.190 -2.853 1.00 0.00 C ATOM 974 CG GLN A 65 -8.379 7.748 -2.787 1.00 0.00 C ATOM 975 CD GLN A 65 -8.732 8.588 -3.998 1.00 0.00 C ATOM 976 OE1 GLN A 65 -9.119 9.749 -3.873 1.00 0.00 O ATOM 977 NE2 GLN A 65 -8.600 8.001 -5.183 1.00 0.00 N ATOM 0 H GLN A 65 -4.684 5.792 -2.261 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.399 6.029 -1.097 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.265 7.967 -2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.736 6.933 -3.887 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.088 6.924 -2.702 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.484 8.353 -1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.276 7.036 -5.241 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.823 8.516 -6.035 1.00 0.00 H new ATOM 986 N VAL A 66 -7.702 3.725 -2.041 1.00 0.00 N ATOM 987 CA VAL A 66 -8.107 2.470 -2.662 1.00 0.00 C ATOM 988 C VAL A 66 -9.280 2.684 -3.615 1.00 0.00 C ATOM 989 O VAL A 66 -10.408 2.925 -3.186 1.00 0.00 O ATOM 990 CB VAL A 66 -8.497 1.419 -1.602 1.00 0.00 C ATOM 991 CG1 VAL A 66 -9.672 1.905 -0.768 1.00 0.00 C ATOM 992 CG2 VAL A 66 -8.814 0.083 -2.260 1.00 0.00 C ATOM 0 H VAL A 66 -7.896 3.783 -1.041 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.250 2.101 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.647 1.275 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -9.930 1.148 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.400 2.831 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.529 2.085 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.087 -0.644 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.645 0.208 -2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -7.938 -0.272 -2.802 1.00 0.00 H new ATOM 1002 N LEU A 67 -9.003 2.598 -4.912 1.00 0.00 N ATOM 1003 CA LEU A 67 -10.034 2.784 -5.927 1.00 0.00 C ATOM 1004 C LEU A 67 -11.041 1.639 -5.894 1.00 0.00 C ATOM 1005 O LEU A 67 -12.222 1.847 -5.619 1.00 0.00 O ATOM 1006 CB LEU A 67 -9.399 2.880 -7.317 1.00 0.00 C ATOM 1007 CG LEU A 67 -8.228 3.858 -7.426 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.680 3.877 -8.844 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -8.658 5.252 -6.999 1.00 0.00 C ATOM 0 H LEU A 67 -8.074 2.401 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.560 3.714 -5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.054 1.889 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.167 3.175 -8.031 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.435 3.524 -6.757 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.848 4.578 -8.903 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.334 2.879 -9.114 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.465 4.187 -9.533 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.813 5.935 -7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.468 5.596 -7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.002 5.226 -5.965 1.00 0.00 H new ATOM 1021 N ALA A 68 -10.566 0.432 -6.177 1.00 0.00 N ATOM 1022 CA ALA A 68 -11.425 -0.745 -6.180 1.00 0.00 C ATOM 1023 C ALA A 68 -10.603 -2.026 -6.289 1.00 0.00 C ATOM 1024 O ALA A 68 -9.376 -1.997 -6.198 1.00 0.00 O ATOM 1025 CB ALA A 68 -12.430 -0.663 -7.319 1.00 0.00 C ATOM 0 H ALA A 68 -9.590 0.243 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 68 -11.966 -0.771 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.065 -1.549 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -13.047 0.227 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.899 -0.608 -8.269 1.00 0.00 H new ATOM 1031 N PHE A 69 -11.289 -3.147 -6.485 1.00 0.00 N ATOM 1032 CA PHE A 69 -10.623 -4.439 -6.607 1.00 0.00 C ATOM 1033 C PHE A 69 -10.796 -5.009 -8.011 1.00 0.00 C ATOM 1034 O PHE A 69 -11.916 -5.256 -8.458 1.00 0.00 O ATOM 1035 CB PHE A 69 -11.176 -5.420 -5.572 1.00 0.00 C ATOM 1036 CG PHE A 69 -10.844 -5.048 -4.156 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -9.526 -4.897 -3.756 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -11.850 -4.846 -3.224 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -9.217 -4.553 -2.454 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -11.547 -4.502 -1.921 1.00 0.00 C ATOM 1041 CZ PHE A 69 -10.230 -4.355 -1.535 1.00 0.00 C ATOM 0 H PHE A 69 -12.305 -3.187 -6.563 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.559 -4.291 -6.424 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.259 -5.477 -5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.782 -6.415 -5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.731 -5.050 -4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.882 -4.959 -3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.186 -4.439 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.340 -4.348 -1.205 1.00 0.00 H new ATOM 0 HZ PHE A 69 -9.992 -4.086 -0.517 1.00 0.00 H new ATOM 1051 N ARG A 70 -9.679 -5.217 -8.700 1.00 0.00 N ATOM 1052 CA ARG A 70 -9.707 -5.758 -10.054 1.00 0.00 C ATOM 1053 C ARG A 70 -9.928 -7.268 -10.032 1.00 0.00 C ATOM 1054 O ARG A 70 -9.285 -7.989 -9.270 1.00 0.00 O ATOM 1055 CB ARG A 70 -8.401 -5.434 -10.782 1.00 0.00 C ATOM 1056 CG ARG A 70 -7.970 -3.982 -10.640 1.00 0.00 C ATOM 1057 CD ARG A 70 -8.716 -3.082 -11.611 1.00 0.00 C ATOM 1058 NE ARG A 70 -8.529 -3.498 -12.998 1.00 0.00 N ATOM 1059 CZ ARG A 70 -9.325 -3.127 -13.999 1.00 0.00 C ATOM 1060 NH1 ARG A 70 -10.364 -2.331 -13.771 1.00 0.00 N ATOM 1061 NH2 ARG A 70 -9.082 -3.551 -15.232 1.00 0.00 N ATOM 0 H ARG A 70 -8.744 -5.019 -8.344 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.537 -5.294 -10.587 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.611 -6.078 -10.397 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.517 -5.668 -11.840 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.151 -3.646 -9.619 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.898 -3.901 -10.817 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.779 -3.091 -11.370 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.371 -2.055 -11.491 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.741 -4.109 -13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.555 -2.001 -12.825 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.970 -2.050 -14.542 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.285 -4.161 -15.414 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.692 -3.267 -15.999 1.00 0.00 H new ATOM 1075 N SER A 71 -10.841 -7.739 -10.876 1.00 0.00 N ATOM 1076 CA SER A 71 -11.147 -9.163 -10.954 1.00 0.00 C ATOM 1077 C SER A 71 -10.050 -9.914 -11.703 1.00 0.00 C ATOM 1078 O SER A 71 -9.250 -9.312 -12.417 1.00 0.00 O ATOM 1079 CB SER A 71 -12.494 -9.380 -11.647 1.00 0.00 C ATOM 1080 OG SER A 71 -12.801 -10.760 -11.745 1.00 0.00 O ATOM 0 H SER A 71 -11.381 -7.156 -11.515 1.00 0.00 H new ATOM 0 HA SER A 71 -11.202 -9.554 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.279 -8.868 -11.091 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.469 -8.938 -12.643 1.00 0.00 H new ATOM 0 HG SER A 71 -13.667 -10.872 -12.190 1.00 0.00 H new ATOM 1154 N ASN A 77 -8.607 -16.902 -7.247 1.00 0.00 N ATOM 1155 CA ASN A 77 -8.484 -16.646 -5.817 1.00 0.00 C ATOM 1156 C ASN A 77 -7.576 -15.448 -5.554 1.00 0.00 C ATOM 1157 O ASN A 77 -6.962 -15.344 -4.494 1.00 0.00 O ATOM 1158 CB ASN A 77 -7.937 -17.882 -5.101 1.00 0.00 C ATOM 1159 CG ASN A 77 -8.568 -18.088 -3.738 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -7.926 -17.888 -2.707 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -9.834 -18.492 -3.727 1.00 0.00 N ATOM 0 HA ASN A 77 -9.477 -16.419 -5.428 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.114 -18.763 -5.717 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.857 -17.784 -4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.312 -18.649 -2.839 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.328 -18.645 -4.606 1.00 0.00 H new ATOM 1168 N HIS A 78 -7.497 -14.545 -6.528 1.00 0.00 N ATOM 1169 CA HIS A 78 -6.665 -13.353 -6.402 1.00 0.00 C ATOM 1170 C HIS A 78 -7.518 -12.089 -6.441 1.00 0.00 C ATOM 1171 O HIS A 78 -8.741 -12.158 -6.562 1.00 0.00 O ATOM 1172 CB HIS A 78 -5.623 -13.313 -7.521 1.00 0.00 C ATOM 1173 CG HIS A 78 -4.686 -14.482 -7.511 1.00 0.00 C ATOM 1174 ND1 HIS A 78 -4.531 -15.487 -6.617 1.00 0.00 N flip ATOM 1175 CD2 HIS A 78 -3.765 -14.716 -8.510 1.00 0.00 C flip ATOM 1176 CE1 HIS A 78 -3.529 -16.299 -7.088 1.00 0.00 C flip ATOM 1177 NE2 HIS A 78 -3.084 -15.812 -8.231 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.999 -14.617 -7.413 1.00 0.00 H new ATOM 0 HA HIS A 78 -6.154 -13.396 -5.440 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -6.136 -13.277 -8.482 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -5.044 -12.393 -7.434 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.623 -14.099 -9.385 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -3.164 -17.192 -6.602 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.340 -16.214 -8.802 1.00 0.00 H new ATOM 1186 N THR A 79 -6.865 -10.936 -6.336 1.00 0.00 N ATOM 1187 CA THR A 79 -7.565 -9.658 -6.358 1.00 0.00 C ATOM 1188 C THR A 79 -6.596 -8.509 -6.620 1.00 0.00 C ATOM 1189 O THR A 79 -5.650 -8.297 -5.862 1.00 0.00 O ATOM 1190 CB THR A 79 -8.295 -9.430 -5.034 1.00 0.00 C ATOM 1191 OG1 THR A 79 -9.027 -10.584 -4.659 1.00 0.00 O ATOM 1192 CG2 THR A 79 -9.262 -8.267 -5.075 1.00 0.00 C ATOM 0 H THR A 79 -5.853 -10.861 -6.235 1.00 0.00 H new ATOM 0 HA THR A 79 -8.294 -9.687 -7.168 1.00 0.00 H new ATOM 0 HB THR A 79 -7.513 -9.205 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.398 -11.010 -5.460 1.00 0.00 H new ATOM 0 HG21 THR A 79 -9.745 -8.161 -4.104 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.720 -7.351 -5.312 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.018 -8.449 -5.839 1.00 0.00 H new ATOM 1200 N GLY A 80 -6.842 -7.769 -7.697 1.00 0.00 N ATOM 1201 CA GLY A 80 -5.984 -6.649 -8.038 1.00 0.00 C ATOM 1202 C GLY A 80 -6.273 -5.421 -7.197 1.00 0.00 C ATOM 1203 O GLY A 80 -7.308 -4.776 -7.364 1.00 0.00 O ATOM 0 H GLY A 80 -7.619 -7.925 -8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.942 -6.940 -7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.114 -6.403 -9.092 1.00 0.00 H new ATOM 1207 N VAL A 81 -5.360 -5.100 -6.287 1.00 0.00 N ATOM 1208 CA VAL A 81 -5.523 -3.944 -5.414 1.00 0.00 C ATOM 1209 C VAL A 81 -5.193 -2.648 -6.147 1.00 0.00 C ATOM 1210 O VAL A 81 -4.037 -2.226 -6.193 1.00 0.00 O ATOM 1211 CB VAL A 81 -4.631 -4.053 -4.164 1.00 0.00 C ATOM 1212 CG1 VAL A 81 -4.914 -2.911 -3.199 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -4.832 -5.398 -3.482 1.00 0.00 C ATOM 0 H VAL A 81 -4.499 -5.625 -6.135 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.568 -3.928 -5.106 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.590 -3.980 -4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.273 -3.008 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.714 -1.960 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.959 -2.946 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.194 -5.458 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.875 -5.502 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.571 -6.199 -4.174 1.00 0.00 H new ATOM 1223 N ASP A 82 -6.215 -2.018 -6.716 1.00 0.00 N ATOM 1224 CA ASP A 82 -6.033 -0.766 -7.440 1.00 0.00 C ATOM 1225 C ASP A 82 -6.132 0.424 -6.491 1.00 0.00 C ATOM 1226 O ASP A 82 -7.205 1.001 -6.311 1.00 0.00 O ATOM 1227 CB ASP A 82 -7.076 -0.637 -8.552 1.00 0.00 C ATOM 1228 CG ASP A 82 -6.492 -0.069 -9.830 1.00 0.00 C ATOM 1229 OD1 ASP A 82 -5.999 1.079 -9.798 1.00 0.00 O ATOM 1230 OD2 ASP A 82 -6.525 -0.770 -10.862 1.00 0.00 O ATOM 0 H ASP A 82 -7.178 -2.354 -6.690 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.039 -0.772 -7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.507 -1.617 -8.757 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.889 0.004 -8.211 1.00 0.00 H new ATOM 1235 N SER A 83 -5.006 0.782 -5.881 1.00 0.00 N ATOM 1236 CA SER A 83 -4.966 1.900 -4.944 1.00 0.00 C ATOM 1237 C SER A 83 -4.217 3.088 -5.539 1.00 0.00 C ATOM 1238 O SER A 83 -3.779 3.046 -6.689 1.00 0.00 O ATOM 1239 CB SER A 83 -4.307 1.466 -3.634 1.00 0.00 C ATOM 1240 OG SER A 83 -3.260 0.541 -3.872 1.00 0.00 O ATOM 0 H SER A 83 -4.110 0.315 -6.019 1.00 0.00 H new ATOM 0 HA SER A 83 -5.991 2.211 -4.743 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.914 2.340 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.053 1.015 -2.980 1.00 0.00 H new ATOM 0 HG SER A 83 -3.417 -0.273 -3.349 1.00 0.00 H new ATOM 1246 N LEU A 84 -4.077 4.147 -4.749 1.00 0.00 N ATOM 1247 CA LEU A 84 -3.385 5.350 -5.196 1.00 0.00 C ATOM 1248 C LEU A 84 -2.447 5.876 -4.114 1.00 0.00 C ATOM 1249 O LEU A 84 -2.885 6.234 -3.021 1.00 0.00 O ATOM 1250 CB LEU A 84 -4.400 6.431 -5.578 1.00 0.00 C ATOM 1251 CG LEU A 84 -3.830 7.614 -6.365 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -2.958 8.483 -5.471 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -3.041 7.122 -7.570 1.00 0.00 C ATOM 0 H LEU A 84 -4.434 4.197 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.788 5.092 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.192 5.970 -6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.862 6.811 -4.667 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.662 8.221 -6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.563 9.318 -6.049 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.554 8.865 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.132 7.889 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.643 7.976 -8.118 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.218 6.492 -7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.696 6.545 -8.223 1.00 0.00 H new ATOM 1265 N CYS A 85 -1.155 5.923 -4.426 1.00 0.00 N ATOM 1266 CA CYS A 85 -0.157 6.411 -3.480 1.00 0.00 C ATOM 1267 C CYS A 85 -0.160 7.937 -3.434 1.00 0.00 C ATOM 1268 O CYS A 85 0.665 8.588 -4.074 1.00 0.00 O ATOM 1269 CB CYS A 85 1.233 5.899 -3.861 1.00 0.00 C ATOM 1270 SG CYS A 85 1.523 4.170 -3.423 1.00 0.00 S ATOM 0 H CYS A 85 -0.775 5.629 -5.326 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.411 6.034 -2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.372 6.019 -4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.984 6.518 -3.371 1.00 0.00 H new ATOM 0 HG CYS A 85 1.611 4.059 -2.131 1.00 0.00 H new ATOM 1276 N ASN A 86 -1.099 8.500 -2.680 1.00 0.00 N ATOM 1277 CA ASN A 86 -1.219 9.949 -2.556 1.00 0.00 C ATOM 1278 C ASN A 86 -0.057 10.535 -1.757 1.00 0.00 C ATOM 1279 O ASN A 86 0.405 9.941 -0.783 1.00 0.00 O ATOM 1280 CB ASN A 86 -2.548 10.314 -1.888 1.00 0.00 C ATOM 1281 CG ASN A 86 -3.595 10.760 -2.888 1.00 0.00 C ATOM 1282 OD1 ASN A 86 -3.544 11.879 -3.399 1.00 0.00 O ATOM 1283 ND2 ASN A 86 -4.554 9.886 -3.172 1.00 0.00 N ATOM 0 H ASN A 86 -1.789 7.974 -2.145 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.191 10.375 -3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.922 9.452 -1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.380 11.110 -1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.287 10.132 -3.837 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.557 8.969 -2.725 1.00 0.00 H new ATOM 1290 N PHE A 87 0.405 11.710 -2.176 1.00 0.00 N ATOM 1291 CA PHE A 87 1.507 12.387 -1.502 1.00 0.00 C ATOM 1292 C PHE A 87 1.163 13.849 -1.234 1.00 0.00 C ATOM 1293 O PHE A 87 0.055 14.299 -1.528 1.00 0.00 O ATOM 1294 CB PHE A 87 2.782 12.297 -2.342 1.00 0.00 C ATOM 1295 CG PHE A 87 3.620 11.089 -2.036 1.00 0.00 C ATOM 1296 CD1 PHE A 87 3.177 9.819 -2.373 1.00 0.00 C ATOM 1297 CD2 PHE A 87 4.849 11.223 -1.412 1.00 0.00 C ATOM 1298 CE1 PHE A 87 3.946 8.706 -2.092 1.00 0.00 C ATOM 1299 CE2 PHE A 87 5.623 10.113 -1.129 1.00 0.00 C ATOM 1300 CZ PHE A 87 5.170 8.853 -1.468 1.00 0.00 C ATOM 0 H PHE A 87 0.032 12.213 -2.981 1.00 0.00 H new ATOM 0 HA PHE A 87 1.676 11.890 -0.547 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.511 12.283 -3.398 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.379 13.194 -2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.221 9.699 -2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.207 12.206 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.591 7.722 -2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.581 10.231 -0.644 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.772 7.984 -1.246 1.00 0.00 H new ATOM 1310 N SER A 88 2.118 14.588 -0.676 1.00 0.00 N ATOM 1311 CA SER A 88 1.910 15.999 -0.370 1.00 0.00 C ATOM 1312 C SER A 88 2.724 16.888 -1.309 1.00 0.00 C ATOM 1313 O SER A 88 3.776 16.482 -1.803 1.00 0.00 O ATOM 1314 CB SER A 88 2.291 16.289 1.083 1.00 0.00 C ATOM 1315 OG SER A 88 1.155 16.237 1.929 1.00 0.00 O ATOM 0 H SER A 88 3.041 14.234 -0.427 1.00 0.00 H new ATOM 0 HA SER A 88 0.853 16.223 -0.513 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.032 15.564 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.754 17.273 1.151 1.00 0.00 H new ATOM 0 HG SER A 88 1.426 16.424 2.852 1.00 0.00 H new ATOM 1321 N PRO A 89 2.246 18.118 -1.568 1.00 0.00 N ATOM 1322 CA PRO A 89 2.935 19.064 -2.454 1.00 0.00 C ATOM 1323 C PRO A 89 4.300 19.481 -1.916 1.00 0.00 C ATOM 1324 O PRO A 89 5.156 19.948 -2.666 1.00 0.00 O ATOM 1325 CB PRO A 89 1.993 20.274 -2.508 1.00 0.00 C ATOM 1326 CG PRO A 89 0.682 19.782 -1.997 1.00 0.00 C ATOM 1327 CD PRO A 89 1.001 18.684 -1.026 1.00 0.00 C ATOM 0 HA PRO A 89 3.135 18.622 -3.430 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.371 21.093 -1.895 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.900 20.654 -3.525 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.127 20.584 -1.510 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.059 19.413 -2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.138 19.066 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.205 17.941 -0.981 1.00 0.00 H new ATOM 1335 N LEU A 90 4.497 19.315 -0.612 1.00 0.00 N ATOM 1336 CA LEU A 90 5.759 19.679 0.024 1.00 0.00 C ATOM 1337 C LEU A 90 6.907 18.820 -0.500 1.00 0.00 C ATOM 1338 O LEU A 90 8.063 19.245 -0.496 1.00 0.00 O ATOM 1339 CB LEU A 90 5.649 19.529 1.542 1.00 0.00 C ATOM 1340 CG LEU A 90 4.922 20.671 2.254 1.00 0.00 C ATOM 1341 CD1 LEU A 90 3.417 20.453 2.215 1.00 0.00 C ATOM 1342 CD2 LEU A 90 5.407 20.797 3.690 1.00 0.00 C ATOM 0 H LEU A 90 3.799 18.931 0.025 1.00 0.00 H new ATOM 0 HA LEU A 90 5.970 20.720 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.132 18.595 1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.653 19.443 1.957 1.00 0.00 H new ATOM 0 HG LEU A 90 5.147 21.601 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.917 21.275 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.082 20.413 1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.172 19.514 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.879 21.614 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.212 19.866 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.478 21.001 3.696 1.00 0.00 H new ATOM 1354 N ALA A 91 6.583 17.610 -0.947 1.00 0.00 N ATOM 1355 CA ALA A 91 7.590 16.694 -1.470 1.00 0.00 C ATOM 1356 C ALA A 91 8.320 17.297 -2.666 1.00 0.00 C ATOM 1357 O ALA A 91 9.435 17.803 -2.534 1.00 0.00 O ATOM 1358 CB ALA A 91 6.946 15.368 -1.851 1.00 0.00 C ATOM 0 H ALA A 91 5.632 17.242 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 91 8.327 16.517 -0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.708 14.692 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.481 14.923 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.187 15.538 -2.615 1.00 0.00 H new ATOM 1364 N ARG A 92 7.686 17.240 -3.833 1.00 0.00 N ATOM 1365 CA ARG A 92 8.275 17.781 -5.055 1.00 0.00 C ATOM 1366 C ARG A 92 9.570 17.052 -5.410 1.00 0.00 C ATOM 1367 O ARG A 92 10.427 17.601 -6.101 1.00 0.00 O ATOM 1368 CB ARG A 92 8.554 19.279 -4.898 1.00 0.00 C ATOM 1369 CG ARG A 92 7.480 20.027 -4.124 1.00 0.00 C ATOM 1370 CD ARG A 92 7.941 21.426 -3.747 1.00 0.00 C ATOM 1371 NE ARG A 92 7.139 21.993 -2.665 1.00 0.00 N ATOM 1372 CZ ARG A 92 5.953 22.570 -2.844 1.00 0.00 C ATOM 1373 NH1 ARG A 92 5.421 22.650 -4.057 1.00 0.00 N ATOM 1374 NH2 ARG A 92 5.295 23.065 -1.804 1.00 0.00 N ATOM 0 H ARG A 92 6.763 16.824 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 92 7.559 17.632 -5.863 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.510 19.410 -4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 92 8.653 19.726 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.573 20.091 -4.726 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.225 19.471 -3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.988 21.394 -3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.882 22.075 -4.621 1.00 0.00 H new ATOM 0 HE ARG A 92 7.510 21.944 -1.716 1.00 0.00 H new ATOM 0 HH11 ARG A 92 5.921 22.268 -4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 92 4.512 23.094 -4.187 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.698 23.003 -0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.386 23.508 -1.939 1.00 0.00 H new ATOM 1388 N ARG A 93 9.706 15.818 -4.936 1.00 0.00 N ATOM 1389 CA ARG A 93 10.900 15.024 -5.210 1.00 0.00 C ATOM 1390 C ARG A 93 10.635 13.538 -4.978 1.00 0.00 C ATOM 1391 O ARG A 93 11.539 12.787 -4.610 1.00 0.00 O ATOM 1392 CB ARG A 93 12.061 15.493 -4.330 1.00 0.00 C ATOM 1393 CG ARG A 93 13.072 16.360 -5.066 1.00 0.00 C ATOM 1394 CD ARG A 93 14.020 15.522 -5.909 1.00 0.00 C ATOM 1395 NE ARG A 93 15.420 15.823 -5.619 1.00 0.00 N ATOM 1396 CZ ARG A 93 16.427 15.532 -6.441 1.00 0.00 C ATOM 1397 NH1 ARG A 93 16.195 14.934 -7.602 1.00 0.00 N ATOM 1398 NH2 ARG A 93 17.670 15.842 -6.100 1.00 0.00 N ATOM 0 H ARG A 93 9.007 15.347 -4.362 1.00 0.00 H new ATOM 0 HA ARG A 93 11.167 15.165 -6.257 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.662 16.053 -3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.572 14.621 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.547 17.070 -5.705 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.645 16.944 -4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.831 14.464 -5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.822 15.702 -6.966 1.00 0.00 H new ATOM 0 HE ARG A 93 15.639 16.283 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.241 14.694 -7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.971 14.714 -8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 93 17.855 16.303 -5.209 1.00 0.00 H new ATOM 0 HH22 ARG A 93 18.442 15.620 -6.729 1.00 0.00 H new ATOM 1412 N VAL A 94 9.393 13.118 -5.194 1.00 0.00 N ATOM 1413 CA VAL A 94 9.017 11.722 -5.007 1.00 0.00 C ATOM 1414 C VAL A 94 8.947 10.990 -6.344 1.00 0.00 C ATOM 1415 O VAL A 94 8.643 11.587 -7.376 1.00 0.00 O ATOM 1416 CB VAL A 94 7.657 11.595 -4.293 1.00 0.00 C ATOM 1417 CG1 VAL A 94 7.357 10.139 -3.969 1.00 0.00 C ATOM 1418 CG2 VAL A 94 7.634 12.444 -3.031 1.00 0.00 C ATOM 0 H VAL A 94 8.631 13.724 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 94 9.788 11.267 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 94 6.880 11.962 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.393 10.070 -3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.327 9.560 -4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.136 9.743 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.666 12.341 -2.541 1.00 0.00 H new ATOM 0 HG22 VAL A 94 8.421 12.111 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.799 13.489 -3.293 1.00 0.00 H new ATOM 1428 N ASP A 95 9.231 9.691 -6.315 1.00 0.00 N ATOM 1429 CA ASP A 95 9.202 8.875 -7.523 1.00 0.00 C ATOM 1430 C ASP A 95 8.459 7.566 -7.276 1.00 0.00 C ATOM 1431 O ASP A 95 8.309 7.131 -6.134 1.00 0.00 O ATOM 1432 CB ASP A 95 10.627 8.587 -8.004 1.00 0.00 C ATOM 1433 CG ASP A 95 10.983 9.368 -9.254 1.00 0.00 C ATOM 1434 OD1 ASP A 95 10.143 9.428 -10.176 1.00 0.00 O ATOM 1435 OD2 ASP A 95 12.102 9.920 -9.309 1.00 0.00 O ATOM 0 H ASP A 95 9.484 9.182 -5.468 1.00 0.00 H new ATOM 0 HA ASP A 95 8.672 9.431 -8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.332 8.834 -7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.732 7.520 -8.203 1.00 0.00 H new ATOM 1440 N ARG A 96 7.995 6.941 -8.353 1.00 0.00 N ATOM 1441 CA ARG A 96 7.268 5.682 -8.253 1.00 0.00 C ATOM 1442 C ARG A 96 8.151 4.590 -7.654 1.00 0.00 C ATOM 1443 O ARG A 96 7.672 3.722 -6.925 1.00 0.00 O ATOM 1444 CB ARG A 96 6.764 5.248 -9.630 1.00 0.00 C ATOM 1445 CG ARG A 96 7.870 5.092 -10.662 1.00 0.00 C ATOM 1446 CD ARG A 96 7.333 5.215 -12.079 1.00 0.00 C ATOM 1447 NE ARG A 96 8.269 5.906 -12.962 1.00 0.00 N ATOM 1448 CZ ARG A 96 8.175 5.904 -14.289 1.00 0.00 C ATOM 1449 NH1 ARG A 96 7.190 5.248 -14.891 1.00 0.00 N ATOM 1450 NH2 ARG A 96 9.068 6.559 -15.018 1.00 0.00 N ATOM 0 H ARG A 96 8.110 7.287 -9.306 1.00 0.00 H new ATOM 0 HA ARG A 96 6.414 5.836 -7.594 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.234 4.301 -9.532 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.042 5.981 -9.991 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.635 5.851 -10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.351 4.122 -10.537 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.127 4.221 -12.476 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.386 5.754 -12.062 1.00 0.00 H new ATOM 0 HE ARG A 96 9.040 6.420 -12.536 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.500 4.742 -14.336 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.123 5.250 -15.909 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.827 7.064 -14.561 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.996 6.557 -16.035 1.00 0.00 H new ATOM 1464 N VAL A 97 9.441 4.641 -7.969 1.00 0.00 N ATOM 1465 CA VAL A 97 10.390 3.657 -7.463 1.00 0.00 C ATOM 1466 C VAL A 97 10.549 3.772 -5.950 1.00 0.00 C ATOM 1467 O VAL A 97 10.822 2.785 -5.267 1.00 0.00 O ATOM 1468 CB VAL A 97 11.770 3.815 -8.125 1.00 0.00 C ATOM 1469 CG1 VAL A 97 12.685 2.662 -7.740 1.00 0.00 C ATOM 1470 CG2 VAL A 97 11.629 3.909 -9.637 1.00 0.00 C ATOM 0 H VAL A 97 9.853 5.353 -8.572 1.00 0.00 H new ATOM 0 HA VAL A 97 9.987 2.675 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 97 12.220 4.740 -7.765 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.656 2.792 -8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.813 2.645 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.243 1.721 -8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.615 4.020 -10.088 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.157 3.002 -10.015 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.014 4.772 -9.892 1.00 0.00 H new ATOM 1480 N ALA A 98 10.378 4.984 -5.432 1.00 0.00 N ATOM 1481 CA ALA A 98 10.504 5.228 -4.000 1.00 0.00 C ATOM 1482 C ALA A 98 9.435 4.474 -3.218 1.00 0.00 C ATOM 1483 O ALA A 98 9.744 3.711 -2.302 1.00 0.00 O ATOM 1484 CB ALA A 98 10.421 6.719 -3.710 1.00 0.00 C ATOM 0 H ALA A 98 10.152 5.812 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 98 11.478 4.860 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.516 6.887 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.226 7.236 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.461 7.104 -4.053 1.00 0.00 H new ATOM 1490 N ILE A 99 8.175 4.693 -3.582 1.00 0.00 N ATOM 1491 CA ILE A 99 7.061 4.033 -2.912 1.00 0.00 C ATOM 1492 C ILE A 99 7.088 2.526 -3.156 1.00 0.00 C ATOM 1493 O ILE A 99 6.570 1.749 -2.354 1.00 0.00 O ATOM 1494 CB ILE A 99 5.704 4.595 -3.382 1.00 0.00 C ATOM 1495 CG1 ILE A 99 5.698 6.122 -3.291 1.00 0.00 C ATOM 1496 CG2 ILE A 99 4.571 4.007 -2.553 1.00 0.00 C ATOM 1497 CD1 ILE A 99 4.814 6.785 -4.324 1.00 0.00 C ATOM 0 H ILE A 99 7.901 5.322 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 99 7.174 4.229 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 99 5.553 4.311 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.365 6.417 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.718 6.489 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.620 4.413 -2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.564 2.923 -2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.717 4.263 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.858 7.867 -4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.160 6.519 -5.323 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.786 6.447 -4.194 1.00 0.00 H new ATOM 1509 N TYR A 100 7.696 2.121 -4.267 1.00 0.00 N ATOM 1510 CA TYR A 100 7.791 0.708 -4.616 1.00 0.00 C ATOM 1511 C TYR A 100 8.845 0.004 -3.768 1.00 0.00 C ATOM 1512 O TYR A 100 8.621 -1.098 -3.270 1.00 0.00 O ATOM 1513 CB TYR A 100 8.133 0.554 -6.100 1.00 0.00 C ATOM 1514 CG TYR A 100 8.136 -0.881 -6.578 1.00 0.00 C ATOM 1515 CD1 TYR A 100 6.945 -1.550 -6.835 1.00 0.00 C ATOM 1516 CD2 TYR A 100 9.328 -1.565 -6.774 1.00 0.00 C ATOM 1517 CE1 TYR A 100 6.945 -2.860 -7.273 1.00 0.00 C ATOM 1518 CE2 TYR A 100 9.336 -2.875 -7.212 1.00 0.00 C ATOM 1519 CZ TYR A 100 8.142 -3.518 -7.460 1.00 0.00 C ATOM 1520 OH TYR A 100 8.144 -4.823 -7.897 1.00 0.00 O ATOM 0 H TYR A 100 8.130 2.752 -4.941 1.00 0.00 H new ATOM 0 HA TYR A 100 6.824 0.245 -4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.414 1.123 -6.690 1.00 0.00 H new ATOM 0 HB3 TYR A 100 9.114 0.991 -6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.005 -1.038 -6.690 1.00 0.00 H new ATOM 0 HD2 TYR A 100 10.265 -1.064 -6.581 1.00 0.00 H new ATOM 0 HE1 TYR A 100 6.011 -3.367 -7.468 1.00 0.00 H new ATOM 0 HE2 TYR A 100 10.272 -3.393 -7.359 1.00 0.00 H new ATOM 0 HH TYR A 100 9.068 -5.139 -7.978 1.00 0.00 H new ATOM 1530 N GLU A 101 9.996 0.650 -3.611 1.00 0.00 N ATOM 1531 CA GLU A 101 11.090 0.086 -2.826 1.00 0.00 C ATOM 1532 C GLU A 101 10.717 -0.010 -1.350 1.00 0.00 C ATOM 1533 O GLU A 101 10.801 -1.081 -0.748 1.00 0.00 O ATOM 1534 CB GLU A 101 12.350 0.937 -2.990 1.00 0.00 C ATOM 1535 CG GLU A 101 13.201 0.540 -4.186 1.00 0.00 C ATOM 1536 CD GLU A 101 14.677 0.808 -3.965 1.00 0.00 C ATOM 1537 OE1 GLU A 101 15.182 0.481 -2.871 1.00 0.00 O ATOM 1538 OE2 GLU A 101 15.328 1.346 -4.886 1.00 0.00 O ATOM 0 H GLU A 101 10.196 1.564 -4.017 1.00 0.00 H new ATOM 0 HA GLU A 101 11.285 -0.921 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.061 1.983 -3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.952 0.859 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.055 -0.520 -4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.864 1.088 -5.066 1.00 0.00 H new ATOM 1545 N GLU A 102 10.310 1.114 -0.769 1.00 0.00 N ATOM 1546 CA GLU A 102 9.931 1.156 0.639 1.00 0.00 C ATOM 1547 C GLU A 102 8.814 0.159 0.938 1.00 0.00 C ATOM 1548 O GLU A 102 8.773 -0.436 2.014 1.00 0.00 O ATOM 1549 CB GLU A 102 9.490 2.570 1.028 1.00 0.00 C ATOM 1550 CG GLU A 102 10.413 3.241 2.032 1.00 0.00 C ATOM 1551 CD GLU A 102 10.695 4.691 1.688 1.00 0.00 C ATOM 1552 OE1 GLU A 102 9.929 5.271 0.891 1.00 0.00 O ATOM 1553 OE2 GLU A 102 11.680 5.245 2.218 1.00 0.00 O ATOM 0 H GLU A 102 10.234 2.009 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 102 10.803 0.879 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.436 3.185 0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.484 2.526 1.445 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.965 3.188 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.354 2.693 2.078 1.00 0.00 H new ATOM 1560 N PHE A 103 7.911 -0.018 -0.019 1.00 0.00 N ATOM 1561 CA PHE A 103 6.795 -0.942 0.145 1.00 0.00 C ATOM 1562 C PHE A 103 7.288 -2.382 0.254 1.00 0.00 C ATOM 1563 O PHE A 103 6.842 -3.138 1.118 1.00 0.00 O ATOM 1564 CB PHE A 103 5.820 -0.813 -1.027 1.00 0.00 C ATOM 1565 CG PHE A 103 4.587 -1.659 -0.879 1.00 0.00 C ATOM 1566 CD1 PHE A 103 3.683 -1.416 0.142 1.00 0.00 C ATOM 1567 CD2 PHE A 103 4.331 -2.696 -1.762 1.00 0.00 C ATOM 1568 CE1 PHE A 103 2.546 -2.191 0.281 1.00 0.00 C ATOM 1569 CE2 PHE A 103 3.198 -3.475 -1.628 1.00 0.00 C ATOM 1570 CZ PHE A 103 2.304 -3.222 -0.605 1.00 0.00 C ATOM 0 H PHE A 103 7.930 0.466 -0.917 1.00 0.00 H new ATOM 0 HA PHE A 103 6.278 -0.684 1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.524 0.231 -1.129 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.333 -1.091 -1.948 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.868 -0.611 0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.025 -2.897 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.849 -1.990 1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 103 3.011 -4.281 -2.322 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.418 -3.830 -0.499 1.00 0.00 H new ATOM 1580 N LEU A 104 8.208 -2.755 -0.629 1.00 0.00 N ATOM 1581 CA LEU A 104 8.761 -4.106 -0.636 1.00 0.00 C ATOM 1582 C LEU A 104 9.518 -4.398 0.657 1.00 0.00 C ATOM 1583 O LEU A 104 9.478 -5.515 1.172 1.00 0.00 O ATOM 1584 CB LEU A 104 9.690 -4.292 -1.836 1.00 0.00 C ATOM 1585 CG LEU A 104 9.018 -4.154 -3.203 1.00 0.00 C ATOM 1586 CD1 LEU A 104 10.022 -3.686 -4.246 1.00 0.00 C ATOM 1587 CD2 LEU A 104 8.387 -5.473 -3.620 1.00 0.00 C ATOM 0 H LEU A 104 8.587 -2.141 -1.350 1.00 0.00 H new ATOM 0 HA LEU A 104 7.931 -4.808 -0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.496 -3.561 -1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.149 -5.279 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 104 8.230 -3.405 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.526 -3.593 -5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.428 -2.718 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 104 10.832 -4.411 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.913 -5.358 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.157 -6.242 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.638 -5.766 -2.885 1.00 0.00 H new ATOM 1599 N ARG A 105 10.213 -3.389 1.171 1.00 0.00 N ATOM 1600 CA ARG A 105 10.986 -3.540 2.399 1.00 0.00 C ATOM 1601 C ARG A 105 10.073 -3.789 3.598 1.00 0.00 C ATOM 1602 O ARG A 105 10.440 -4.503 4.531 1.00 0.00 O ATOM 1603 CB ARG A 105 11.841 -2.294 2.643 1.00 0.00 C ATOM 1604 CG ARG A 105 13.290 -2.608 2.979 1.00 0.00 C ATOM 1605 CD ARG A 105 14.196 -1.420 2.704 1.00 0.00 C ATOM 1606 NE ARG A 105 15.531 -1.834 2.278 1.00 0.00 N ATOM 1607 CZ ARG A 105 16.596 -1.036 2.294 1.00 0.00 C ATOM 1608 NH1 ARG A 105 16.487 0.219 2.712 1.00 0.00 N ATOM 1609 NH2 ARG A 105 17.773 -1.494 1.889 1.00 0.00 N ATOM 0 H ARG A 105 10.257 -2.458 0.757 1.00 0.00 H new ATOM 0 HA ARG A 105 11.638 -4.405 2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.811 -1.663 1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.404 -1.717 3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.368 -2.891 4.029 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.623 -3.464 2.393 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.748 -0.794 1.933 1.00 0.00 H new ATOM 0 HD3 ARG A 105 14.276 -0.810 3.604 1.00 0.00 H new ATOM 0 HE ARG A 105 15.654 -2.792 1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.584 0.576 3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 105 17.307 0.826 2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.862 -2.457 1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 105 18.590 -0.883 1.901 1.00 0.00 H new ATOM 1623 N MET A 106 8.885 -3.193 3.568 1.00 0.00 N ATOM 1624 CA MET A 106 7.925 -3.349 4.656 1.00 0.00 C ATOM 1625 C MET A 106 7.044 -4.577 4.447 1.00 0.00 C ATOM 1626 O MET A 106 6.503 -5.131 5.404 1.00 0.00 O ATOM 1627 CB MET A 106 7.053 -2.100 4.776 1.00 0.00 C ATOM 1628 CG MET A 106 6.391 -1.953 6.137 1.00 0.00 C ATOM 1629 SD MET A 106 7.128 -0.642 7.133 1.00 0.00 S ATOM 1630 CE MET A 106 7.032 0.739 5.998 1.00 0.00 C ATOM 0 H MET A 106 8.564 -2.599 2.804 1.00 0.00 H new ATOM 0 HA MET A 106 8.488 -3.486 5.579 1.00 0.00 H new ATOM 0 HB2 MET A 106 7.665 -1.219 4.581 1.00 0.00 H new ATOM 0 HB3 MET A 106 6.282 -2.129 4.006 1.00 0.00 H new ATOM 0 HG2 MET A 106 5.330 -1.746 6.000 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.464 -2.898 6.676 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.700 1.628 6.534 1.00 0.00 H new ATOM 0 HE2 MET A 106 8.015 0.923 5.564 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.322 0.508 5.204 1.00 0.00 H new ATOM 1640 N THR A 107 6.898 -4.998 3.195 1.00 0.00 N ATOM 1641 CA THR A 107 6.076 -6.159 2.872 1.00 0.00 C ATOM 1642 C THR A 107 6.924 -7.424 2.763 1.00 0.00 C ATOM 1643 O THR A 107 6.545 -8.378 2.084 1.00 0.00 O ATOM 1644 CB THR A 107 5.322 -5.924 1.562 1.00 0.00 C ATOM 1645 OG1 THR A 107 6.203 -5.464 0.552 1.00 0.00 O ATOM 1646 CG2 THR A 107 4.204 -4.913 1.690 1.00 0.00 C ATOM 0 H THR A 107 7.337 -4.554 2.389 1.00 0.00 H new ATOM 0 HA THR A 107 5.359 -6.298 3.681 1.00 0.00 H new ATOM 0 HB THR A 107 4.890 -6.890 1.299 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.385 -4.510 0.686 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.710 -4.793 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.481 -5.262 2.427 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.615 -3.955 2.009 1.00 0.00 H new ATOM 1654 N HIS A 108 8.070 -7.429 3.439 1.00 0.00 N ATOM 1655 CA HIS A 108 8.968 -8.582 3.419 1.00 0.00 C ATOM 1656 C HIS A 108 9.281 -9.013 1.988 1.00 0.00 C ATOM 1657 O HIS A 108 8.710 -9.978 1.481 1.00 0.00 O ATOM 1658 CB HIS A 108 8.348 -9.749 4.190 1.00 0.00 C ATOM 1659 CG HIS A 108 8.619 -9.705 5.661 1.00 0.00 C ATOM 1660 ND1 HIS A 108 9.340 -10.678 6.324 1.00 0.00 N ATOM 1661 CD2 HIS A 108 8.263 -8.798 6.602 1.00 0.00 C ATOM 1662 CE1 HIS A 108 9.414 -10.371 7.607 1.00 0.00 C ATOM 1663 NE2 HIS A 108 8.769 -9.235 7.801 1.00 0.00 N ATOM 0 H HIS A 108 8.399 -6.649 4.007 1.00 0.00 H new ATOM 0 HA HIS A 108 9.901 -8.289 3.900 1.00 0.00 H new ATOM 0 HB2 HIS A 108 7.270 -9.750 4.027 1.00 0.00 H new ATOM 0 HB3 HIS A 108 8.732 -10.686 3.786 1.00 0.00 H new ATOM 0 HD2 HIS A 108 7.688 -7.898 6.439 1.00 0.00 H new ATOM 0 HE1 HIS A 108 9.916 -10.950 8.368 1.00 0.00 H new ATOM 0 HE2 HIS A 108 8.664 -8.759 8.697 1.00 0.00 H new ATOM 1672 N ASN A 109 10.191 -8.289 1.342 1.00 0.00 N ATOM 1673 CA ASN A 109 10.579 -8.597 -0.031 1.00 0.00 C ATOM 1674 C ASN A 109 9.363 -8.617 -0.952 1.00 0.00 C ATOM 1675 O ASN A 109 9.341 -9.334 -1.953 1.00 0.00 O ATOM 1676 CB ASN A 109 11.298 -9.946 -0.089 1.00 0.00 C ATOM 1677 CG ASN A 109 12.799 -9.809 0.077 1.00 0.00 C ATOM 1678 OD1 ASN A 109 13.330 -8.701 0.141 1.00 0.00 O ATOM 1679 ND2 ASN A 109 13.492 -10.941 0.147 1.00 0.00 N ATOM 0 H ASN A 109 10.673 -7.486 1.747 1.00 0.00 H new ATOM 0 HA ASN A 109 11.257 -7.815 -0.373 1.00 0.00 H new ATOM 0 HB2 ASN A 109 10.907 -10.597 0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.083 -10.428 -1.043 1.00 0.00 H new ATOM 0 HD21 ASN A 109 14.506 -10.912 0.258 1.00 0.00 H new ATOM 0 HD22 ASN A 109 13.010 -11.838 0.090 1.00 0.00 H new ATOM 1686 N GLY A 110 8.351 -7.826 -0.605 1.00 0.00 N ATOM 1687 CA GLY A 110 7.146 -7.770 -1.412 1.00 0.00 C ATOM 1688 C GLY A 110 6.462 -9.119 -1.524 1.00 0.00 C ATOM 1689 O GLY A 110 6.397 -9.699 -2.606 1.00 0.00 O ATOM 0 H GLY A 110 8.344 -7.224 0.219 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.454 -7.050 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.396 -7.409 -2.409 1.00 0.00 H new ATOM 1693 N THR A 111 5.954 -9.618 -0.403 1.00 0.00 N ATOM 1694 CA THR A 111 5.275 -10.909 -0.383 1.00 0.00 C ATOM 1695 C THR A 111 4.138 -10.919 0.636 1.00 0.00 C ATOM 1696 O THR A 111 3.042 -11.400 0.350 1.00 0.00 O ATOM 1697 CB THR A 111 6.269 -12.026 -0.063 1.00 0.00 C ATOM 1698 OG1 THR A 111 6.902 -11.792 1.182 1.00 0.00 O ATOM 1699 CG2 THR A 111 7.353 -12.179 -1.109 1.00 0.00 C ATOM 0 H THR A 111 5.999 -9.150 0.502 1.00 0.00 H new ATOM 0 HA THR A 111 4.850 -11.079 -1.372 1.00 0.00 H new ATOM 0 HB THR A 111 5.678 -12.942 -0.039 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.395 -10.946 1.144 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.024 -12.988 -0.821 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.899 -12.410 -2.073 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.917 -11.250 -1.187 1.00 0.00 H new ATOM 1707 N GLN A 112 4.406 -10.390 1.826 1.00 0.00 N ATOM 1708 CA GLN A 112 3.401 -10.347 2.882 1.00 0.00 C ATOM 1709 C GLN A 112 3.155 -8.917 3.352 1.00 0.00 C ATOM 1710 O GLN A 112 3.918 -8.375 4.152 1.00 0.00 O ATOM 1711 CB GLN A 112 3.839 -11.215 4.064 1.00 0.00 C ATOM 1712 CG GLN A 112 2.799 -11.305 5.169 1.00 0.00 C ATOM 1713 CD GLN A 112 3.410 -11.210 6.554 1.00 0.00 C ATOM 1714 OE1 GLN A 112 4.425 -10.541 6.752 1.00 0.00 O ATOM 1715 NE2 GLN A 112 2.794 -11.879 7.520 1.00 0.00 N ATOM 0 H GLN A 112 5.307 -9.987 2.082 1.00 0.00 H new ATOM 0 HA GLN A 112 2.469 -10.737 2.474 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.063 -12.219 3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.763 -10.812 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.069 -10.505 5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 112 2.258 -12.247 5.078 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.955 -12.421 7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.159 -11.852 8.472 1.00 0.00 H new ATOM 1724 N LEU A 113 2.078 -8.312 2.857 1.00 0.00 N ATOM 1725 CA LEU A 113 1.728 -6.949 3.235 1.00 0.00 C ATOM 1726 C LEU A 113 1.252 -6.901 4.684 1.00 0.00 C ATOM 1727 O LEU A 113 0.067 -7.077 4.964 1.00 0.00 O ATOM 1728 CB LEU A 113 0.643 -6.399 2.301 1.00 0.00 C ATOM 1729 CG LEU A 113 0.164 -4.970 2.596 1.00 0.00 C ATOM 1730 CD1 LEU A 113 -0.968 -4.983 3.610 1.00 0.00 C ATOM 1731 CD2 LEU A 113 1.311 -4.096 3.087 1.00 0.00 C ATOM 0 H LEU A 113 1.435 -8.745 2.194 1.00 0.00 H new ATOM 0 HA LEU A 113 2.618 -6.326 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.021 -6.431 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.218 -7.066 2.344 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.210 -4.544 1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.293 -3.961 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.804 -5.560 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.620 -5.437 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.942 -3.090 3.288 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.726 -4.520 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.087 -4.052 2.323 1.00 0.00 H new ATOM 1743 N LEU A 114 2.189 -6.670 5.600 1.00 0.00 N ATOM 1744 CA LEU A 114 1.876 -6.605 7.024 1.00 0.00 C ATOM 1745 C LEU A 114 1.324 -7.938 7.524 1.00 0.00 C ATOM 1746 O LEU A 114 2.046 -8.728 8.134 1.00 0.00 O ATOM 1747 CB LEU A 114 0.870 -5.484 7.300 1.00 0.00 C ATOM 1748 CG LEU A 114 1.443 -4.067 7.227 1.00 0.00 C ATOM 1749 CD1 LEU A 114 0.394 -3.043 7.628 1.00 0.00 C ATOM 1750 CD2 LEU A 114 2.677 -3.946 8.111 1.00 0.00 C ATOM 0 H LEU A 114 3.174 -6.524 5.380 1.00 0.00 H new ATOM 0 HA LEU A 114 2.800 -6.392 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 114 0.052 -5.566 6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.443 -5.636 8.291 1.00 0.00 H new ATOM 0 HG LEU A 114 1.737 -3.867 6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.822 -2.042 7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.459 -3.113 6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.066 -3.238 8.649 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.072 -2.932 8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.408 -4.166 9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.436 -4.653 7.775 1.00 0.00 H new ATOM 1762 N ASN A 115 0.044 -8.182 7.263 1.00 0.00 N ATOM 1763 CA ASN A 115 -0.601 -9.419 7.688 1.00 0.00 C ATOM 1764 C ASN A 115 -1.042 -10.247 6.483 1.00 0.00 C ATOM 1765 O ASN A 115 -0.995 -11.477 6.513 1.00 0.00 O ATOM 1766 CB ASN A 115 -1.805 -9.108 8.580 1.00 0.00 C ATOM 1767 CG ASN A 115 -1.540 -9.425 10.039 1.00 0.00 C ATOM 1768 OD1 ASN A 115 -0.755 -10.317 10.359 1.00 0.00 O ATOM 1769 ND2 ASN A 115 -2.198 -8.695 10.932 1.00 0.00 N ATOM 0 H ASN A 115 -0.567 -7.539 6.759 1.00 0.00 H new ATOM 0 HA ASN A 115 0.123 -10.002 8.257 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -2.064 -8.054 8.481 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.666 -9.682 8.237 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -2.062 -8.864 11.929 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -2.839 -7.965 10.621 1.00 0.00 H new ATOM 1776 N PHE A 116 -1.472 -9.565 5.427 1.00 0.00 N ATOM 1777 CA PHE A 116 -1.925 -10.239 4.214 1.00 0.00 C ATOM 1778 C PHE A 116 -0.742 -10.742 3.393 1.00 0.00 C ATOM 1779 O PHE A 116 0.381 -10.261 3.543 1.00 0.00 O ATOM 1780 CB PHE A 116 -2.777 -9.290 3.369 1.00 0.00 C ATOM 1781 CG PHE A 116 -4.222 -9.254 3.780 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -4.635 -8.457 4.835 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -5.165 -10.015 3.109 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -5.964 -8.420 5.214 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -6.495 -9.982 3.484 1.00 0.00 C ATOM 1786 CZ PHE A 116 -6.895 -9.184 4.538 1.00 0.00 C ATOM 0 H PHE A 116 -1.517 -8.547 5.386 1.00 0.00 H new ATOM 0 HA PHE A 116 -2.528 -11.097 4.510 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.363 -8.284 3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -2.712 -9.590 2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -3.911 -7.858 5.367 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.858 -10.641 2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.274 -7.794 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.221 -10.580 2.953 1.00 0.00 H new ATOM 0 HZ PHE A 116 -7.934 -9.158 4.833 1.00 0.00 H new ATOM 1796 N THR A 117 -1.005 -11.715 2.525 1.00 0.00 N ATOM 1797 CA THR A 117 0.035 -12.286 1.677 1.00 0.00 C ATOM 1798 C THR A 117 -0.272 -12.039 0.203 1.00 0.00 C ATOM 1799 O THR A 117 -1.251 -12.559 -0.331 1.00 0.00 O ATOM 1800 CB THR A 117 0.169 -13.787 1.937 1.00 0.00 C ATOM 1801 OG1 THR A 117 -1.055 -14.451 1.680 1.00 0.00 O ATOM 1802 CG2 THR A 117 0.579 -14.113 3.358 1.00 0.00 C ATOM 0 H THR A 117 -1.930 -12.124 2.391 1.00 0.00 H new ATOM 0 HA THR A 117 0.978 -11.798 1.922 1.00 0.00 H new ATOM 0 HB THR A 117 0.953 -14.129 1.262 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.949 -15.410 1.850 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.656 -15.194 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.545 -13.655 3.572 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.168 -13.725 4.050 1.00 0.00 H new ATOM 1810 N LEU A 118 0.568 -11.242 -0.449 1.00 0.00 N ATOM 1811 CA LEU A 118 0.379 -10.927 -1.861 1.00 0.00 C ATOM 1812 C LEU A 118 1.650 -11.201 -2.662 1.00 0.00 C ATOM 1813 O LEU A 118 2.738 -11.317 -2.099 1.00 0.00 O ATOM 1814 CB LEU A 118 -0.049 -9.468 -2.026 1.00 0.00 C ATOM 1815 CG LEU A 118 0.801 -8.446 -1.270 1.00 0.00 C ATOM 1816 CD1 LEU A 118 1.948 -7.959 -2.139 1.00 0.00 C ATOM 1817 CD2 LEU A 118 -0.058 -7.278 -0.809 1.00 0.00 C ATOM 0 H LEU A 118 1.385 -10.803 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.409 -11.573 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.028 -9.219 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.083 -9.371 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 118 1.223 -8.931 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.542 -7.232 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.577 -8.804 -2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.549 -7.490 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.562 -6.560 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.508 -6.793 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -0.844 -7.643 -0.148 1.00 0.00 H new ATOM 1829 N ASP A 119 1.499 -11.312 -3.978 1.00 0.00 N ATOM 1830 CA ASP A 119 2.630 -11.583 -4.859 1.00 0.00 C ATOM 1831 C ASP A 119 3.516 -10.350 -5.016 1.00 0.00 C ATOM 1832 O ASP A 119 3.171 -9.262 -4.555 1.00 0.00 O ATOM 1833 CB ASP A 119 2.134 -12.046 -6.229 1.00 0.00 C ATOM 1834 CG ASP A 119 2.965 -13.181 -6.793 1.00 0.00 C ATOM 1835 OD1 ASP A 119 3.983 -12.898 -7.457 1.00 0.00 O ATOM 1836 OD2 ASP A 119 2.596 -14.354 -6.571 1.00 0.00 O ATOM 0 H ASP A 119 0.604 -11.218 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 119 3.226 -12.375 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.095 -12.366 -6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 119 2.154 -11.205 -6.923 1.00 0.00 H new ATOM 1841 N ARG A 120 4.658 -10.531 -5.672 1.00 0.00 N ATOM 1842 CA ARG A 120 5.595 -9.436 -5.895 1.00 0.00 C ATOM 1843 C ARG A 120 5.552 -8.970 -7.346 1.00 0.00 C ATOM 1844 O ARG A 120 5.426 -7.777 -7.622 1.00 0.00 O ATOM 1845 CB ARG A 120 7.017 -9.868 -5.531 1.00 0.00 C ATOM 1846 CG ARG A 120 7.972 -8.703 -5.333 1.00 0.00 C ATOM 1847 CD ARG A 120 9.343 -9.172 -4.873 1.00 0.00 C ATOM 1848 NE ARG A 120 10.344 -9.061 -5.933 1.00 0.00 N ATOM 1849 CZ ARG A 120 11.652 -8.950 -5.712 1.00 0.00 C ATOM 1850 NH1 ARG A 120 12.127 -8.943 -4.471 1.00 0.00 N ATOM 1851 NH2 ARG A 120 12.490 -8.849 -6.734 1.00 0.00 N ATOM 0 H ARG A 120 4.957 -11.426 -6.059 1.00 0.00 H new ATOM 0 HA ARG A 120 5.300 -8.605 -5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.985 -10.461 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.404 -10.515 -6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.071 -8.151 -6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.557 -8.014 -4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.659 -8.581 -4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.279 -10.208 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 120 10.020 -9.069 -6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.488 -9.023 -3.680 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.131 -8.858 -4.309 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.133 -8.856 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 120 13.492 -8.764 -6.565 1.00 0.00 H new ATOM 1865 N LYS A 121 5.658 -9.920 -8.271 1.00 0.00 N ATOM 1866 CA LYS A 121 5.632 -9.608 -9.697 1.00 0.00 C ATOM 1867 C LYS A 121 4.408 -8.769 -10.053 1.00 0.00 C ATOM 1868 O LYS A 121 4.435 -7.985 -11.002 1.00 0.00 O ATOM 1869 CB LYS A 121 5.637 -10.897 -10.522 1.00 0.00 C ATOM 1870 CG LYS A 121 7.031 -11.387 -10.878 1.00 0.00 C ATOM 1871 CD LYS A 121 6.980 -12.656 -11.712 1.00 0.00 C ATOM 1872 CE LYS A 121 7.219 -13.892 -10.861 1.00 0.00 C ATOM 1873 NZ LYS A 121 6.544 -15.093 -11.424 1.00 0.00 N ATOM 0 H LYS A 121 5.763 -10.912 -8.059 1.00 0.00 H new ATOM 0 HA LYS A 121 6.525 -9.029 -9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.118 -11.677 -9.965 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.073 -10.733 -11.440 1.00 0.00 H new ATOM 0 HG2 LYS A 121 7.561 -10.610 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.596 -11.573 -9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.009 -12.732 -12.201 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.731 -12.605 -12.500 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.290 -14.079 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 121 6.855 -13.712 -9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 6.732 -15.914 -10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 5.519 -14.924 -11.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 6.909 -15.281 -12.380 1.00 0.00 H new ATOM 1887 N SER A 122 3.337 -8.936 -9.283 1.00 0.00 N ATOM 1888 CA SER A 122 2.106 -8.192 -9.514 1.00 0.00 C ATOM 1889 C SER A 122 2.229 -6.765 -8.988 1.00 0.00 C ATOM 1890 O SER A 122 1.592 -5.846 -9.504 1.00 0.00 O ATOM 1891 CB SER A 122 0.925 -8.895 -8.845 1.00 0.00 C ATOM 1892 OG SER A 122 -0.305 -8.298 -9.220 1.00 0.00 O ATOM 0 H SER A 122 3.298 -9.581 -8.494 1.00 0.00 H new ATOM 0 HA SER A 122 1.931 -8.152 -10.589 1.00 0.00 H new ATOM 0 HB2 SER A 122 0.921 -9.949 -9.123 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.038 -8.851 -7.762 1.00 0.00 H new ATOM 0 HG SER A 122 -0.137 -7.404 -9.585 1.00 0.00 H new ATOM 1898 N VAL A 123 3.052 -6.587 -7.960 1.00 0.00 N ATOM 1899 CA VAL A 123 3.260 -5.273 -7.365 1.00 0.00 C ATOM 1900 C VAL A 123 3.886 -4.312 -8.370 1.00 0.00 C ATOM 1901 O VAL A 123 4.821 -4.668 -9.086 1.00 0.00 O ATOM 1902 CB VAL A 123 4.164 -5.353 -6.119 1.00 0.00 C ATOM 1903 CG1 VAL A 123 4.225 -4.007 -5.415 1.00 0.00 C ATOM 1904 CG2 VAL A 123 3.673 -6.436 -5.171 1.00 0.00 C ATOM 0 H VAL A 123 3.586 -7.337 -7.522 1.00 0.00 H new ATOM 0 HA VAL A 123 2.279 -4.902 -7.068 1.00 0.00 H new ATOM 0 HB VAL A 123 5.172 -5.614 -6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 123 4.868 -4.084 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 123 4.629 -3.258 -6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 123 3.222 -3.713 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.324 -6.477 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.655 -6.208 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.688 -7.400 -5.680 1.00 0.00 H new ATOM 1914 N PHE A 124 3.364 -3.091 -8.418 1.00 0.00 N ATOM 1915 CA PHE A 124 3.874 -2.079 -9.335 1.00 0.00 C ATOM 1916 C PHE A 124 3.203 -0.733 -9.087 1.00 0.00 C ATOM 1917 O PHE A 124 2.040 -0.671 -8.691 1.00 0.00 O ATOM 1918 CB PHE A 124 3.651 -2.515 -10.784 1.00 0.00 C ATOM 1919 CG PHE A 124 4.322 -1.622 -11.789 1.00 0.00 C ATOM 1920 CD1 PHE A 124 3.798 -0.373 -12.085 1.00 0.00 C ATOM 1921 CD2 PHE A 124 5.476 -2.031 -12.437 1.00 0.00 C ATOM 1922 CE1 PHE A 124 4.414 0.450 -13.008 1.00 0.00 C ATOM 1923 CE2 PHE A 124 6.096 -1.213 -13.361 1.00 0.00 C ATOM 1924 CZ PHE A 124 5.564 0.031 -13.648 1.00 0.00 C ATOM 0 H PHE A 124 2.589 -2.779 -7.833 1.00 0.00 H new ATOM 0 HA PHE A 124 4.944 -1.969 -9.157 1.00 0.00 H new ATOM 0 HB2 PHE A 124 4.021 -3.533 -10.910 1.00 0.00 H new ATOM 0 HB3 PHE A 124 2.580 -2.538 -10.988 1.00 0.00 H new ATOM 0 HD1 PHE A 124 2.899 -0.040 -11.589 1.00 0.00 H new ATOM 0 HD2 PHE A 124 5.896 -3.001 -12.217 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.996 1.421 -13.229 1.00 0.00 H new ATOM 0 HE2 PHE A 124 6.995 -1.544 -13.859 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.046 0.673 -14.370 1.00 0.00 H new ATOM 1934 N VAL A 125 3.944 0.343 -9.326 1.00 0.00 N ATOM 1935 CA VAL A 125 3.421 1.689 -9.129 1.00 0.00 C ATOM 1936 C VAL A 125 3.986 2.653 -10.167 1.00 0.00 C ATOM 1937 O VAL A 125 5.172 2.606 -10.492 1.00 0.00 O ATOM 1938 CB VAL A 125 3.744 2.215 -7.715 1.00 0.00 C ATOM 1939 CG1 VAL A 125 5.249 2.337 -7.514 1.00 0.00 C ATOM 1940 CG2 VAL A 125 3.054 3.548 -7.470 1.00 0.00 C ATOM 0 H VAL A 125 4.908 0.309 -9.656 1.00 0.00 H new ATOM 0 HA VAL A 125 2.339 1.632 -9.245 1.00 0.00 H new ATOM 0 HB VAL A 125 3.365 1.497 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.453 2.710 -6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 125 5.713 1.359 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.659 3.030 -8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.294 3.903 -6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 125 3.398 4.276 -8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.975 3.422 -7.562 1.00 0.00 H new ATOM 1950 N ASP A 126 3.128 3.527 -10.685 1.00 0.00 N ATOM 1951 CA ASP A 126 3.541 4.501 -11.688 1.00 0.00 C ATOM 1952 C ASP A 126 3.223 5.921 -11.229 1.00 0.00 C ATOM 1953 O ASP A 126 2.813 6.139 -10.090 1.00 0.00 O ATOM 1954 CB ASP A 126 2.850 4.214 -13.023 1.00 0.00 C ATOM 1955 CG ASP A 126 3.804 4.310 -14.198 1.00 0.00 C ATOM 1956 OD1 ASP A 126 4.990 3.956 -14.031 1.00 0.00 O ATOM 1957 OD2 ASP A 126 3.363 4.739 -15.286 1.00 0.00 O ATOM 0 H ASP A 126 2.143 3.580 -10.426 1.00 0.00 H new ATOM 0 HA ASP A 126 4.619 4.415 -11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 126 2.411 3.217 -12.995 1.00 0.00 H new ATOM 0 HB3 ASP A 126 2.031 4.919 -13.164 1.00 0.00 H new ATOM 1962 N SER A 127 3.415 6.884 -12.125 1.00 0.00 N ATOM 1963 CA SER A 127 3.150 8.283 -11.812 1.00 0.00 C ATOM 1964 C SER A 127 1.799 8.719 -12.371 1.00 0.00 C ATOM 1965 O SER A 127 1.722 9.304 -13.451 1.00 0.00 O ATOM 1966 CB SER A 127 4.259 9.174 -12.374 1.00 0.00 C ATOM 1967 OG SER A 127 4.866 8.578 -13.508 1.00 0.00 O ATOM 0 H SER A 127 3.753 6.721 -13.073 1.00 0.00 H new ATOM 0 HA SER A 127 3.126 8.387 -10.727 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.846 10.145 -12.647 1.00 0.00 H new ATOM 0 HB3 SER A 127 5.012 9.352 -11.606 1.00 0.00 H new ATOM 0 HG SER A 127 5.570 9.168 -13.850 1.00 0.00 H new