USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 920 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 124 MET CE :methyl 135:sc= -0.691 (180deg=-2.64!) USER MOD Set 1.2: A 144 MET CE :methyl -119:sc= -0.0994 (180deg=-0.142) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 107 HIS :FLIP no HD1:sc= -1.75 F(o=-3.9!,f=-1.8) USER MOD Set 3.1: A 60 ASN : amide:sc= -2.37 K(o=-2.4,f=-13!) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 36 MET CE :methyl -138:sc= -2.72 (180deg=-0.743) USER MOD Set 4.2: A 51 MET CE :methyl -133:sc= -0.318 (180deg=-0.272) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 88:sc= 0.17 USER MOD Single : A 41 GLN : amide:sc= -0.0972 X(o=-0.097,f=-0.57) USER MOD Single : A 42 ASN : amide:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0109 F(o=-1.3,f=-0.011) USER MOD Single : A 53 ASN : amide:sc= 0.619 K(o=0.62,f=-0.044) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 179:sc= -3.4 (180deg=-3.41) USER MOD Single : A 72 MET CE :methyl 162:sc= -0.0153 (180deg=-0.2) USER MOD Single : A 97 ASN : amide:sc= -2.86! C(o=-2.9!,f=-11!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0658 USER MOD Single : A 109 MET CE :methyl -168:sc= -0.819 (180deg=-0.92) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0438 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 137 ASN : amide:sc= -2.53! C(o=-2.5!,f=-3.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.7!) USER MOD Single : A 145 MET CE :methyl 146:sc= -0.416 (180deg=-1.61!) USER MOD Single : A 146 THR OG1 : rot -27:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 120 N ILE A 9 -1.086 1.803 5.469 1.00 0.00 N ATOM 121 CA ILE A 9 -0.187 0.700 5.785 1.00 0.00 C ATOM 122 C ILE A 9 -0.126 -0.305 4.640 1.00 0.00 C ATOM 123 O ILE A 9 0.946 -0.799 4.291 1.00 0.00 O ATOM 124 CB ILE A 9 -0.622 -0.029 7.070 1.00 0.00 C ATOM 125 CG1 ILE A 9 -0.594 0.931 8.262 1.00 0.00 C ATOM 126 CG2 ILE A 9 0.277 -1.229 7.328 1.00 0.00 C ATOM 127 CD1 ILE A 9 -1.911 1.635 8.502 1.00 0.00 C ATOM 0 HA ILE A 9 0.802 1.132 5.938 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.644 -0.386 6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.319 0.376 9.159 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.183 1.678 8.099 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.043 -1.734 8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.211 -1.920 6.488 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.308 -0.894 7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.817 2.299 9.361 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.178 2.218 7.621 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.688 0.896 8.697 1.00 0.00 H new ATOM 139 N ALA A 10 -1.283 -0.601 4.057 1.00 0.00 N ATOM 140 CA ALA A 10 -1.361 -1.543 2.948 1.00 0.00 C ATOM 141 C ALA A 10 -0.534 -1.063 1.760 1.00 0.00 C ATOM 142 O ALA A 10 0.121 -1.858 1.087 1.00 0.00 O ATOM 143 CB ALA A 10 -2.810 -1.754 2.534 1.00 0.00 C ATOM 0 H ALA A 10 -2.180 -0.202 4.335 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.949 -2.495 3.284 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.852 -2.460 1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.375 -2.151 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.242 -0.803 2.223 1.00 0.00 H new ATOM 149 N GLU A 11 -0.569 0.242 1.509 1.00 0.00 N ATOM 150 CA GLU A 11 0.177 0.826 0.401 1.00 0.00 C ATOM 151 C GLU A 11 1.680 0.707 0.634 1.00 0.00 C ATOM 152 O GLU A 11 2.412 0.190 -0.211 1.00 0.00 O ATOM 153 CB GLU A 11 -0.207 2.296 0.218 1.00 0.00 C ATOM 154 CG GLU A 11 -1.437 2.501 -0.649 1.00 0.00 C ATOM 155 CD GLU A 11 -1.108 2.541 -2.129 1.00 0.00 C ATOM 156 OE1 GLU A 11 -0.143 1.864 -2.540 1.00 0.00 O ATOM 157 OE2 GLU A 11 -1.814 3.251 -2.875 1.00 0.00 O ATOM 0 H GLU A 11 -1.106 0.914 2.058 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.077 0.276 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.385 2.741 1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.633 2.829 -0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.148 1.697 -0.460 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.926 3.432 -0.364 1.00 0.00 H new ATOM 164 N PHE A 12 2.135 1.189 1.786 1.00 0.00 N ATOM 165 CA PHE A 12 3.551 1.138 2.131 1.00 0.00 C ATOM 166 C PHE A 12 4.044 -0.304 2.192 1.00 0.00 C ATOM 167 O PHE A 12 5.211 -0.586 1.917 1.00 0.00 O ATOM 168 CB PHE A 12 3.796 1.831 3.473 1.00 0.00 C ATOM 169 CG PHE A 12 3.746 3.330 3.393 1.00 0.00 C ATOM 170 CD1 PHE A 12 4.802 4.043 2.849 1.00 0.00 C ATOM 171 CD2 PHE A 12 2.643 4.025 3.860 1.00 0.00 C ATOM 172 CE1 PHE A 12 4.758 5.422 2.774 1.00 0.00 C ATOM 173 CE2 PHE A 12 2.594 5.405 3.788 1.00 0.00 C ATOM 174 CZ PHE A 12 3.653 6.104 3.243 1.00 0.00 C ATOM 0 H PHE A 12 1.543 1.619 2.497 1.00 0.00 H new ATOM 0 HA PHE A 12 4.108 1.661 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.051 1.489 4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.770 1.528 3.856 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.669 3.515 2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.811 3.483 4.285 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.588 5.966 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.729 5.935 4.157 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.617 7.182 3.184 1.00 0.00 H new ATOM 184 N LYS A 13 3.148 -1.215 2.556 1.00 0.00 N ATOM 185 CA LYS A 13 3.489 -2.629 2.654 1.00 0.00 C ATOM 186 C LYS A 13 3.970 -3.167 1.310 1.00 0.00 C ATOM 187 O LYS A 13 5.097 -3.646 1.191 1.00 0.00 O ATOM 188 CB LYS A 13 2.280 -3.435 3.134 1.00 0.00 C ATOM 189 CG LYS A 13 2.642 -4.800 3.693 1.00 0.00 C ATOM 190 CD LYS A 13 1.627 -5.269 4.721 1.00 0.00 C ATOM 191 CE LYS A 13 0.359 -5.786 4.058 1.00 0.00 C ATOM 192 NZ LYS A 13 -0.771 -5.886 5.023 1.00 0.00 N ATOM 0 H LYS A 13 2.179 -0.999 2.788 1.00 0.00 H new ATOM 0 HA LYS A 13 4.297 -2.732 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.755 -2.865 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.587 -3.564 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.699 -5.524 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.631 -4.756 4.150 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.066 -6.057 5.334 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.379 -4.445 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.080 -5.122 3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.551 -6.766 3.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.616 -6.242 4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.515 -6.540 5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.972 -4.946 5.421 1.00 0.00 H new ATOM 206 N GLU A 14 3.109 -3.082 0.301 1.00 0.00 N ATOM 207 CA GLU A 14 3.448 -3.560 -1.035 1.00 0.00 C ATOM 208 C GLU A 14 4.870 -3.155 -1.413 1.00 0.00 C ATOM 209 O GLU A 14 5.678 -3.991 -1.815 1.00 0.00 O ATOM 210 CB GLU A 14 2.459 -3.009 -2.064 1.00 0.00 C ATOM 211 CG GLU A 14 1.048 -2.843 -1.524 1.00 0.00 C ATOM 212 CD GLU A 14 -0.011 -3.016 -2.596 1.00 0.00 C ATOM 213 OE1 GLU A 14 0.279 -2.706 -3.771 1.00 0.00 O ATOM 214 OE2 GLU A 14 -1.128 -3.460 -2.260 1.00 0.00 O ATOM 0 H GLU A 14 2.172 -2.687 0.383 1.00 0.00 H new ATOM 0 HA GLU A 14 3.388 -4.648 -1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.819 -2.044 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.433 -3.677 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.879 -3.571 -0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.948 -1.854 -1.076 1.00 0.00 H new ATOM 221 N ALA A 15 5.167 -1.866 -1.281 1.00 0.00 N ATOM 222 CA ALA A 15 6.491 -1.350 -1.606 1.00 0.00 C ATOM 223 C ALA A 15 7.569 -2.043 -0.780 1.00 0.00 C ATOM 224 O ALA A 15 8.673 -2.291 -1.265 1.00 0.00 O ATOM 225 CB ALA A 15 6.539 0.155 -1.386 1.00 0.00 C ATOM 0 H ALA A 15 4.508 -1.160 -0.951 1.00 0.00 H new ATOM 0 HA ALA A 15 6.687 -1.559 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.533 0.527 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.801 0.640 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.317 0.377 -0.342 1.00 0.00 H new ATOM 231 N PHE A 16 7.242 -2.351 0.471 1.00 0.00 N ATOM 232 CA PHE A 16 8.184 -3.014 1.366 1.00 0.00 C ATOM 233 C PHE A 16 8.164 -4.525 1.154 1.00 0.00 C ATOM 234 O PHE A 16 9.002 -5.249 1.690 1.00 0.00 O ATOM 235 CB PHE A 16 7.851 -2.688 2.823 1.00 0.00 C ATOM 236 CG PHE A 16 8.859 -3.220 3.802 1.00 0.00 C ATOM 237 CD1 PHE A 16 10.011 -2.505 4.088 1.00 0.00 C ATOM 238 CD2 PHE A 16 8.653 -4.435 4.435 1.00 0.00 C ATOM 239 CE1 PHE A 16 10.939 -2.994 4.987 1.00 0.00 C ATOM 240 CE2 PHE A 16 9.579 -4.928 5.336 1.00 0.00 C ATOM 241 CZ PHE A 16 10.723 -4.206 5.613 1.00 0.00 C ATOM 0 H PHE A 16 6.333 -2.152 0.888 1.00 0.00 H new ATOM 0 HA PHE A 16 9.184 -2.646 1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.781 -1.606 2.938 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.871 -3.099 3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.185 -1.556 3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.760 -5.003 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.834 -2.428 5.200 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.408 -5.877 5.823 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.447 -4.588 6.317 1.00 0.00 H new ATOM 251 N SER A 17 7.199 -4.994 0.368 1.00 0.00 N ATOM 252 CA SER A 17 7.066 -6.419 0.088 1.00 0.00 C ATOM 253 C SER A 17 7.946 -6.825 -1.090 1.00 0.00 C ATOM 254 O SER A 17 8.532 -7.909 -1.098 1.00 0.00 O ATOM 255 CB SER A 17 5.606 -6.768 -0.206 1.00 0.00 C ATOM 256 OG SER A 17 4.917 -7.121 0.981 1.00 0.00 O ATOM 0 H SER A 17 6.498 -4.408 -0.086 1.00 0.00 H new ATOM 0 HA SER A 17 7.393 -6.970 0.970 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.113 -5.917 -0.677 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.562 -7.595 -0.915 1.00 0.00 H new ATOM 0 HG SER A 17 3.986 -7.338 0.766 1.00 0.00 H new ATOM 262 N LEU A 18 8.034 -5.949 -2.084 1.00 0.00 N ATOM 263 CA LEU A 18 8.842 -6.215 -3.270 1.00 0.00 C ATOM 264 C LEU A 18 10.329 -6.205 -2.929 1.00 0.00 C ATOM 265 O LEU A 18 11.091 -7.047 -3.403 1.00 0.00 O ATOM 266 CB LEU A 18 8.549 -5.177 -4.354 1.00 0.00 C ATOM 267 CG LEU A 18 9.056 -3.761 -4.083 1.00 0.00 C ATOM 268 CD1 LEU A 18 10.468 -3.588 -4.621 1.00 0.00 C ATOM 269 CD2 LEU A 18 8.120 -2.731 -4.699 1.00 0.00 C ATOM 0 H LEU A 18 7.556 -5.048 -2.093 1.00 0.00 H new ATOM 0 HA LEU A 18 8.580 -7.205 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 18 8.987 -5.525 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.470 -5.132 -4.504 1.00 0.00 H new ATOM 0 HG LEU A 18 9.077 -3.604 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.813 -2.574 -4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.133 -4.301 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.472 -3.765 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.497 -1.729 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.066 -2.887 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.125 -2.839 -4.267 1.00 0.00 H new ATOM 281 N PHE A 19 10.734 -5.247 -2.101 1.00 0.00 N ATOM 282 CA PHE A 19 12.129 -5.127 -1.695 1.00 0.00 C ATOM 283 C PHE A 19 12.564 -6.341 -0.879 1.00 0.00 C ATOM 284 O PHE A 19 13.662 -6.867 -1.064 1.00 0.00 O ATOM 285 CB PHE A 19 12.338 -3.849 -0.881 1.00 0.00 C ATOM 286 CG PHE A 19 12.703 -2.657 -1.719 1.00 0.00 C ATOM 287 CD1 PHE A 19 13.948 -2.573 -2.322 1.00 0.00 C ATOM 288 CD2 PHE A 19 11.803 -1.620 -1.902 1.00 0.00 C ATOM 289 CE1 PHE A 19 14.287 -1.478 -3.094 1.00 0.00 C ATOM 290 CE2 PHE A 19 12.137 -0.523 -2.673 1.00 0.00 C ATOM 291 CZ PHE A 19 13.381 -0.451 -3.269 1.00 0.00 C ATOM 0 H PHE A 19 10.116 -4.543 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 19 12.741 -5.079 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 19 11.426 -3.628 -0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.124 -4.021 -0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.661 -3.372 -2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.830 -1.669 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 19 15.260 -1.426 -3.560 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.426 0.278 -2.810 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.644 0.407 -3.870 1.00 0.00 H new ATOM 301 N ASP A 20 11.696 -6.779 0.026 1.00 0.00 N ATOM 302 CA ASP A 20 11.988 -7.931 0.871 1.00 0.00 C ATOM 303 C ASP A 20 11.843 -9.231 0.087 1.00 0.00 C ATOM 304 O ASP A 20 10.737 -9.737 -0.099 1.00 0.00 O ATOM 305 CB ASP A 20 11.059 -7.947 2.087 1.00 0.00 C ATOM 306 CG ASP A 20 11.378 -9.079 3.044 1.00 0.00 C ATOM 307 OD1 ASP A 20 12.550 -9.191 3.460 1.00 0.00 O ATOM 308 OD2 ASP A 20 10.456 -9.853 3.376 1.00 0.00 O ATOM 0 H ASP A 20 10.784 -6.354 0.193 1.00 0.00 H new ATOM 0 HA ASP A 20 13.020 -7.848 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.139 -6.996 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.026 -8.040 1.751 1.00 0.00 H new ATOM 313 N LYS A 21 12.969 -9.768 -0.371 1.00 0.00 N ATOM 314 CA LYS A 21 12.969 -11.010 -1.136 1.00 0.00 C ATOM 315 C LYS A 21 13.029 -12.219 -0.208 1.00 0.00 C ATOM 316 O LYS A 21 12.323 -13.206 -0.414 1.00 0.00 O ATOM 317 CB LYS A 21 14.155 -11.037 -2.103 1.00 0.00 C ATOM 318 CG LYS A 21 14.165 -9.877 -3.085 1.00 0.00 C ATOM 319 CD LYS A 21 13.066 -10.017 -4.125 1.00 0.00 C ATOM 320 CE LYS A 21 13.399 -9.247 -5.394 1.00 0.00 C ATOM 321 NZ LYS A 21 12.171 -8.810 -6.115 1.00 0.00 N ATOM 0 H LYS A 21 13.894 -9.363 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 21 12.042 -11.057 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 21 15.082 -11.024 -1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 21 14.138 -11.974 -2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.037 -8.940 -2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.134 -9.829 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.922 -11.071 -4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.125 -9.652 -3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.002 -8.375 -5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.003 -9.873 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.440 -8.289 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.608 -9.644 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.607 -8.192 -5.497 1.00 0.00 H new ATOM 335 N ASP A 22 13.876 -12.135 0.812 1.00 0.00 N ATOM 336 CA ASP A 22 14.025 -13.222 1.773 1.00 0.00 C ATOM 337 C ASP A 22 12.685 -13.571 2.413 1.00 0.00 C ATOM 338 O ASP A 22 12.318 -14.741 2.510 1.00 0.00 O ATOM 339 CB ASP A 22 15.036 -12.839 2.855 1.00 0.00 C ATOM 340 CG ASP A 22 16.256 -12.141 2.286 1.00 0.00 C ATOM 341 OD1 ASP A 22 16.809 -12.636 1.282 1.00 0.00 O ATOM 342 OD2 ASP A 22 16.658 -11.099 2.846 1.00 0.00 O ATOM 0 H ASP A 22 14.470 -11.326 0.995 1.00 0.00 H new ATOM 0 HA ASP A 22 14.390 -14.099 1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 22 14.555 -12.187 3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.350 -13.736 3.389 1.00 0.00 H new ATOM 347 N GLY A 23 11.958 -12.546 2.848 1.00 0.00 N ATOM 348 CA GLY A 23 10.667 -12.765 3.474 1.00 0.00 C ATOM 349 C GLY A 23 10.743 -12.727 4.987 1.00 0.00 C ATOM 350 O GLY A 23 10.089 -13.517 5.668 1.00 0.00 O ATOM 0 H GLY A 23 12.240 -11.568 2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.966 -12.005 3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.272 -13.730 3.157 1.00 0.00 H new ATOM 354 N ASP A 24 11.544 -11.809 5.515 1.00 0.00 N ATOM 355 CA ASP A 24 11.704 -11.672 6.958 1.00 0.00 C ATOM 356 C ASP A 24 11.063 -10.379 7.456 1.00 0.00 C ATOM 357 O ASP A 24 10.317 -10.381 8.434 1.00 0.00 O ATOM 358 CB ASP A 24 13.186 -11.698 7.334 1.00 0.00 C ATOM 359 CG ASP A 24 14.059 -11.023 6.293 1.00 0.00 C ATOM 360 OD1 ASP A 24 13.708 -9.907 5.859 1.00 0.00 O ATOM 361 OD2 ASP A 24 15.093 -11.612 5.914 1.00 0.00 O ATOM 0 H ASP A 24 12.093 -11.148 4.965 1.00 0.00 H new ATOM 0 HA ASP A 24 11.202 -12.513 7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.323 -11.203 8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.508 -12.732 7.459 1.00 0.00 H new ATOM 366 N GLY A 25 11.361 -9.277 6.775 1.00 0.00 N ATOM 367 CA GLY A 25 10.807 -7.993 7.163 1.00 0.00 C ATOM 368 C GLY A 25 11.866 -6.915 7.279 1.00 0.00 C ATOM 369 O GLY A 25 11.702 -5.949 8.024 1.00 0.00 O ATOM 0 H GLY A 25 11.976 -9.250 5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.060 -7.687 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.293 -8.097 8.118 1.00 0.00 H new ATOM 373 N THR A 26 12.960 -7.081 6.541 1.00 0.00 N ATOM 374 CA THR A 26 14.052 -6.116 6.566 1.00 0.00 C ATOM 375 C THR A 26 14.653 -5.930 5.178 1.00 0.00 C ATOM 376 O THR A 26 14.747 -6.879 4.400 1.00 0.00 O ATOM 377 CB THR A 26 15.163 -6.551 7.540 1.00 0.00 C ATOM 378 OG1 THR A 26 15.546 -7.905 7.273 1.00 0.00 O ATOM 379 CG2 THR A 26 14.698 -6.426 8.983 1.00 0.00 C ATOM 0 H THR A 26 13.113 -7.875 5.919 1.00 0.00 H new ATOM 0 HA THR A 26 13.630 -5.170 6.906 1.00 0.00 H new ATOM 0 HB THR A 26 16.021 -5.895 7.393 1.00 0.00 H new ATOM 0 HG1 THR A 26 16.254 -8.174 7.895 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.500 -6.739 9.652 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.435 -5.389 9.192 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.826 -7.060 9.140 1.00 0.00 H new ATOM 387 N ILE A 27 15.058 -4.701 4.874 1.00 0.00 N ATOM 388 CA ILE A 27 15.652 -4.392 3.579 1.00 0.00 C ATOM 389 C ILE A 27 17.137 -4.077 3.717 1.00 0.00 C ATOM 390 O ILE A 27 17.516 -3.015 4.213 1.00 0.00 O ATOM 391 CB ILE A 27 14.946 -3.199 2.907 1.00 0.00 C ATOM 392 CG1 ILE A 27 13.445 -3.471 2.783 1.00 0.00 C ATOM 393 CG2 ILE A 27 15.555 -2.926 1.540 1.00 0.00 C ATOM 394 CD1 ILE A 27 12.637 -2.243 2.425 1.00 0.00 C ATOM 0 H ILE A 27 14.986 -3.904 5.506 1.00 0.00 H new ATOM 0 HA ILE A 27 15.527 -5.277 2.955 1.00 0.00 H new ATOM 0 HB ILE A 27 15.086 -2.315 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 27 13.284 -4.236 2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.078 -3.876 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 27 15.046 -2.080 1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.614 -2.694 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 27 15.442 -3.807 0.909 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.582 -2.509 2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.768 -1.484 3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.977 -1.850 1.467 1.00 0.00 H new ATOM 406 N THR A 28 17.977 -5.006 3.271 1.00 0.00 N ATOM 407 CA THR A 28 19.422 -4.828 3.344 1.00 0.00 C ATOM 408 C THR A 28 20.012 -4.551 1.966 1.00 0.00 C ATOM 409 O THR A 28 19.344 -4.727 0.946 1.00 0.00 O ATOM 410 CB THR A 28 20.111 -6.068 3.945 1.00 0.00 C ATOM 411 OG1 THR A 28 21.492 -5.786 4.198 1.00 0.00 O ATOM 412 CG2 THR A 28 19.995 -7.260 3.007 1.00 0.00 C ATOM 0 H THR A 28 17.681 -5.889 2.855 1.00 0.00 H new ATOM 0 HA THR A 28 19.603 -3.971 3.993 1.00 0.00 H new ATOM 0 HB THR A 28 19.613 -6.315 4.883 1.00 0.00 H new ATOM 0 HG1 THR A 28 21.923 -6.578 4.582 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.489 -8.123 3.453 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.943 -7.490 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.470 -7.022 2.055 1.00 0.00 H new ATOM 420 N THR A 29 21.268 -4.118 1.941 1.00 0.00 N ATOM 421 CA THR A 29 21.948 -3.816 0.687 1.00 0.00 C ATOM 422 C THR A 29 21.689 -4.900 -0.353 1.00 0.00 C ATOM 423 O THR A 29 21.472 -4.607 -1.529 1.00 0.00 O ATOM 424 CB THR A 29 23.468 -3.670 0.893 1.00 0.00 C ATOM 425 OG1 THR A 29 24.038 -4.936 1.245 1.00 0.00 O ATOM 426 CG2 THR A 29 23.771 -2.652 1.982 1.00 0.00 C ATOM 0 H THR A 29 21.836 -3.968 2.775 1.00 0.00 H new ATOM 0 HA THR A 29 21.545 -2.869 0.329 1.00 0.00 H new ATOM 0 HB THR A 29 23.907 -3.321 -0.041 1.00 0.00 H new ATOM 0 HG1 THR A 29 25.004 -4.836 1.373 1.00 0.00 H new ATOM 0 HG21 THR A 29 24.850 -2.566 2.110 1.00 0.00 H new ATOM 0 HG22 THR A 29 23.361 -1.683 1.698 1.00 0.00 H new ATOM 0 HG23 THR A 29 23.320 -2.977 2.919 1.00 0.00 H new ATOM 434 N LYS A 30 21.713 -6.153 0.087 1.00 0.00 N ATOM 435 CA LYS A 30 21.479 -7.282 -0.806 1.00 0.00 C ATOM 436 C LYS A 30 20.118 -7.166 -1.485 1.00 0.00 C ATOM 437 O LYS A 30 19.990 -7.413 -2.684 1.00 0.00 O ATOM 438 CB LYS A 30 21.562 -8.599 -0.030 1.00 0.00 C ATOM 439 CG LYS A 30 21.321 -9.828 -0.889 1.00 0.00 C ATOM 440 CD LYS A 30 22.595 -10.281 -1.583 1.00 0.00 C ATOM 441 CE LYS A 30 23.432 -11.176 -0.682 1.00 0.00 C ATOM 442 NZ LYS A 30 24.827 -11.318 -1.183 1.00 0.00 N ATOM 0 H LYS A 30 21.892 -6.413 1.057 1.00 0.00 H new ATOM 0 HA LYS A 30 22.252 -7.270 -1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 30 22.546 -8.677 0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.830 -8.582 0.778 1.00 0.00 H new ATOM 0 HG2 LYS A 30 20.936 -10.637 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.558 -9.608 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.342 -10.818 -2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.180 -9.410 -1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 30 23.449 -10.763 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.968 -12.160 -0.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 25.365 -11.935 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.813 -11.736 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 25.279 -10.382 -1.223 1.00 0.00 H new ATOM 456 N GLU A 31 19.106 -6.786 -0.711 1.00 0.00 N ATOM 457 CA GLU A 31 17.755 -6.637 -1.240 1.00 0.00 C ATOM 458 C GLU A 31 17.581 -5.277 -1.911 1.00 0.00 C ATOM 459 O GLU A 31 17.282 -5.194 -3.103 1.00 0.00 O ATOM 460 CB GLU A 31 16.724 -6.802 -0.121 1.00 0.00 C ATOM 461 CG GLU A 31 16.614 -8.225 0.400 1.00 0.00 C ATOM 462 CD GLU A 31 16.165 -8.283 1.847 1.00 0.00 C ATOM 463 OE1 GLU A 31 17.024 -8.127 2.740 1.00 0.00 O ATOM 464 OE2 GLU A 31 14.956 -8.485 2.086 1.00 0.00 O ATOM 0 H GLU A 31 19.196 -6.576 0.283 1.00 0.00 H new ATOM 0 HA GLU A 31 17.597 -7.415 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 31 16.988 -6.141 0.705 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.749 -6.482 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.909 -8.781 -0.218 1.00 0.00 H new ATOM 0 HG3 GLU A 31 17.581 -8.719 0.303 1.00 0.00 H new ATOM 471 N LEU A 32 17.769 -4.214 -1.137 1.00 0.00 N ATOM 472 CA LEU A 32 17.633 -2.857 -1.655 1.00 0.00 C ATOM 473 C LEU A 32 18.450 -2.676 -2.930 1.00 0.00 C ATOM 474 O LEU A 32 18.005 -2.032 -3.879 1.00 0.00 O ATOM 475 CB LEU A 32 18.078 -1.841 -0.602 1.00 0.00 C ATOM 476 CG LEU A 32 18.022 -0.372 -1.021 1.00 0.00 C ATOM 477 CD1 LEU A 32 16.580 0.095 -1.142 1.00 0.00 C ATOM 478 CD2 LEU A 32 18.784 0.495 -0.029 1.00 0.00 C ATOM 0 H LEU A 32 18.016 -4.265 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 32 16.582 -2.689 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.456 -1.969 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.101 -2.076 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 32 18.496 -0.275 -1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.561 1.143 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.065 -0.506 -1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.079 -0.017 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.734 1.538 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.339 0.392 0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.826 0.177 0.007 1.00 0.00 H new ATOM 490 N GLY A 33 19.649 -3.251 -2.945 1.00 0.00 N ATOM 491 CA GLY A 33 20.509 -3.143 -4.109 1.00 0.00 C ATOM 492 C GLY A 33 20.021 -3.987 -5.270 1.00 0.00 C ATOM 493 O GLY A 33 20.366 -3.728 -6.424 1.00 0.00 O ATOM 0 H GLY A 33 20.040 -3.790 -2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 33 20.565 -2.100 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 33 21.520 -3.450 -3.840 1.00 0.00 H new ATOM 497 N THR A 34 19.217 -5.001 -4.966 1.00 0.00 N ATOM 498 CA THR A 34 18.684 -5.887 -5.993 1.00 0.00 C ATOM 499 C THR A 34 17.547 -5.220 -6.759 1.00 0.00 C ATOM 500 O THR A 34 17.289 -5.548 -7.917 1.00 0.00 O ATOM 501 CB THR A 34 18.172 -7.207 -5.385 1.00 0.00 C ATOM 502 OG1 THR A 34 18.419 -8.290 -6.288 1.00 0.00 O ATOM 503 CG2 THR A 34 16.684 -7.122 -5.081 1.00 0.00 C ATOM 0 H THR A 34 18.921 -5.229 -4.017 1.00 0.00 H new ATOM 0 HA THR A 34 19.503 -6.104 -6.679 1.00 0.00 H new ATOM 0 HB THR A 34 18.707 -7.383 -4.452 1.00 0.00 H new ATOM 0 HG1 THR A 34 18.092 -9.126 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 34 16.346 -8.065 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.503 -6.315 -4.370 1.00 0.00 H new ATOM 0 HG23 THR A 34 16.135 -6.924 -6.002 1.00 0.00 H new ATOM 511 N VAL A 35 16.871 -4.280 -6.106 1.00 0.00 N ATOM 512 CA VAL A 35 15.762 -3.565 -6.726 1.00 0.00 C ATOM 513 C VAL A 35 16.214 -2.214 -7.267 1.00 0.00 C ATOM 514 O VAL A 35 15.651 -1.700 -8.234 1.00 0.00 O ATOM 515 CB VAL A 35 14.607 -3.347 -5.731 1.00 0.00 C ATOM 516 CG1 VAL A 35 13.801 -2.114 -6.110 1.00 0.00 C ATOM 517 CG2 VAL A 35 13.716 -4.579 -5.671 1.00 0.00 C ATOM 0 H VAL A 35 17.072 -3.996 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 35 15.408 -4.184 -7.551 1.00 0.00 H new ATOM 0 HB VAL A 35 15.030 -3.184 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.989 -1.976 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 35 14.449 -1.238 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.386 -2.244 -7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.905 -4.407 -4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.300 -4.775 -6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.304 -5.438 -5.348 1.00 0.00 H new ATOM 527 N MET A 36 17.236 -1.642 -6.638 1.00 0.00 N ATOM 528 CA MET A 36 17.765 -0.350 -7.057 1.00 0.00 C ATOM 529 C MET A 36 18.384 -0.442 -8.448 1.00 0.00 C ATOM 530 O MET A 36 18.214 0.455 -9.274 1.00 0.00 O ATOM 531 CB MET A 36 18.808 0.148 -6.054 1.00 0.00 C ATOM 532 CG MET A 36 18.202 0.749 -4.796 1.00 0.00 C ATOM 533 SD MET A 36 17.789 2.493 -4.989 1.00 0.00 S ATOM 534 CE MET A 36 19.422 3.217 -5.114 1.00 0.00 C ATOM 0 H MET A 36 17.714 -2.053 -5.836 1.00 0.00 H new ATOM 0 HA MET A 36 16.938 0.359 -7.092 1.00 0.00 H new ATOM 0 HB2 MET A 36 19.457 -0.682 -5.774 1.00 0.00 H new ATOM 0 HB3 MET A 36 19.437 0.895 -6.537 1.00 0.00 H new ATOM 0 HG2 MET A 36 17.302 0.194 -4.530 1.00 0.00 H new ATOM 0 HG3 MET A 36 18.903 0.635 -3.969 1.00 0.00 H new ATOM 0 HE1 MET A 36 19.458 4.136 -4.530 1.00 0.00 H new ATOM 0 HE2 MET A 36 20.162 2.514 -4.731 1.00 0.00 H new ATOM 0 HE3 MET A 36 19.641 3.442 -6.158 1.00 0.00 H new ATOM 544 N ARG A 37 19.103 -1.531 -8.700 1.00 0.00 N ATOM 545 CA ARG A 37 19.749 -1.738 -9.991 1.00 0.00 C ATOM 546 C ARG A 37 18.720 -2.082 -11.064 1.00 0.00 C ATOM 547 O ARG A 37 18.974 -1.919 -12.258 1.00 0.00 O ATOM 548 CB ARG A 37 20.790 -2.854 -9.891 1.00 0.00 C ATOM 549 CG ARG A 37 20.227 -4.168 -9.375 1.00 0.00 C ATOM 550 CD ARG A 37 19.466 -4.913 -10.461 1.00 0.00 C ATOM 551 NE ARG A 37 19.550 -6.362 -10.292 1.00 0.00 N ATOM 552 CZ ARG A 37 20.550 -7.100 -10.761 1.00 0.00 C ATOM 553 NH1 ARG A 37 21.546 -6.528 -11.424 1.00 0.00 N ATOM 554 NH2 ARG A 37 20.556 -8.412 -10.567 1.00 0.00 N ATOM 0 H ARG A 37 19.253 -2.283 -8.028 1.00 0.00 H new ATOM 0 HA ARG A 37 20.247 -0.810 -10.273 1.00 0.00 H new ATOM 0 HB2 ARG A 37 21.230 -3.018 -10.875 1.00 0.00 H new ATOM 0 HB3 ARG A 37 21.595 -2.530 -9.232 1.00 0.00 H new ATOM 0 HG2 ARG A 37 21.040 -4.793 -9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 37 19.564 -3.975 -8.532 1.00 0.00 H new ATOM 0 HD2 ARG A 37 18.420 -4.606 -10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.865 -4.638 -11.437 1.00 0.00 H new ATOM 0 HE ARG A 37 18.800 -6.833 -9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 37 21.545 -5.519 -11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 37 22.313 -7.097 -11.783 1.00 0.00 H new ATOM 0 HH21 ARG A 37 19.792 -8.856 -10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 37 21.325 -8.977 -10.928 1.00 0.00 H new ATOM 568 N SER A 38 17.558 -2.560 -10.631 1.00 0.00 N ATOM 569 CA SER A 38 16.492 -2.932 -11.555 1.00 0.00 C ATOM 570 C SER A 38 15.956 -1.705 -12.287 1.00 0.00 C ATOM 571 O SER A 38 15.486 -1.801 -13.421 1.00 0.00 O ATOM 572 CB SER A 38 15.356 -3.628 -10.802 1.00 0.00 C ATOM 573 OG SER A 38 15.668 -4.988 -10.553 1.00 0.00 O ATOM 0 H SER A 38 17.330 -2.699 -9.646 1.00 0.00 H new ATOM 0 HA SER A 38 16.906 -3.621 -12.291 1.00 0.00 H new ATOM 0 HB2 SER A 38 15.173 -3.115 -9.858 1.00 0.00 H new ATOM 0 HB3 SER A 38 14.436 -3.563 -11.384 1.00 0.00 H new ATOM 0 HG SER A 38 16.158 -5.062 -9.708 1.00 0.00 H new ATOM 579 N LEU A 39 16.028 -0.553 -11.629 1.00 0.00 N ATOM 580 CA LEU A 39 15.550 0.694 -12.216 1.00 0.00 C ATOM 581 C LEU A 39 16.644 1.360 -13.046 1.00 0.00 C ATOM 582 O LEU A 39 16.381 1.900 -14.119 1.00 0.00 O ATOM 583 CB LEU A 39 15.075 1.648 -11.119 1.00 0.00 C ATOM 584 CG LEU A 39 13.776 1.261 -10.410 1.00 0.00 C ATOM 585 CD1 LEU A 39 13.499 2.206 -9.251 1.00 0.00 C ATOM 586 CD2 LEU A 39 12.613 1.262 -11.392 1.00 0.00 C ATOM 0 H LEU A 39 16.413 -0.457 -10.689 1.00 0.00 H new ATOM 0 HA LEU A 39 14.712 0.460 -12.873 1.00 0.00 H new ATOM 0 HB2 LEU A 39 15.863 1.731 -10.371 1.00 0.00 H new ATOM 0 HB3 LEU A 39 14.946 2.638 -11.557 1.00 0.00 H new ATOM 0 HG LEU A 39 13.888 0.253 -10.011 1.00 0.00 H new ATOM 0 HD11 LEU A 39 12.571 1.915 -8.758 1.00 0.00 H new ATOM 0 HD12 LEU A 39 14.320 2.156 -8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.407 3.225 -9.627 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.697 0.984 -10.871 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.499 2.258 -11.820 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.809 0.544 -12.189 1.00 0.00 H new ATOM 598 N GLY A 40 17.873 1.315 -12.540 1.00 0.00 N ATOM 599 CA GLY A 40 18.988 1.915 -13.249 1.00 0.00 C ATOM 600 C GLY A 40 19.888 2.723 -12.334 1.00 0.00 C ATOM 601 O GLY A 40 20.355 3.799 -12.706 1.00 0.00 O ATOM 0 H GLY A 40 18.116 0.874 -11.653 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.573 1.131 -13.730 1.00 0.00 H new ATOM 0 HA3 GLY A 40 18.607 2.560 -14.041 1.00 0.00 H new ATOM 605 N GLN A 41 20.130 2.203 -11.135 1.00 0.00 N ATOM 606 CA GLN A 41 20.979 2.885 -10.165 1.00 0.00 C ATOM 607 C GLN A 41 22.344 2.213 -10.067 1.00 0.00 C ATOM 608 O GLN A 41 23.377 2.852 -10.260 1.00 0.00 O ATOM 609 CB GLN A 41 20.306 2.902 -8.791 1.00 0.00 C ATOM 610 CG GLN A 41 18.930 3.549 -8.795 1.00 0.00 C ATOM 611 CD GLN A 41 18.946 4.952 -9.368 1.00 0.00 C ATOM 612 OE1 GLN A 41 19.910 5.698 -9.187 1.00 0.00 O ATOM 613 NE2 GLN A 41 17.877 5.320 -10.064 1.00 0.00 N ATOM 0 H GLN A 41 19.751 1.313 -10.812 1.00 0.00 H new ATOM 0 HA GLN A 41 21.124 3.911 -10.505 1.00 0.00 H new ATOM 0 HB2 GLN A 41 20.216 1.878 -8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 41 20.947 3.435 -8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 41 18.244 2.932 -9.375 1.00 0.00 H new ATOM 0 HG3 GLN A 41 18.545 3.581 -7.776 1.00 0.00 H new ATOM 0 HE21 GLN A 41 17.101 4.670 -10.189 1.00 0.00 H new ATOM 0 HE22 GLN A 41 17.832 6.253 -10.474 1.00 0.00 H new ATOM 622 N ASN A 42 22.340 0.918 -9.766 1.00 0.00 N ATOM 623 CA ASN A 42 23.579 0.159 -9.642 1.00 0.00 C ATOM 624 C ASN A 42 24.562 0.870 -8.717 1.00 0.00 C ATOM 625 O ASN A 42 25.710 1.133 -9.076 1.00 0.00 O ATOM 626 CB ASN A 42 24.214 -0.049 -11.018 1.00 0.00 C ATOM 627 CG ASN A 42 23.338 -0.872 -11.941 1.00 0.00 C ATOM 628 OD1 ASN A 42 23.574 -2.064 -12.140 1.00 0.00 O ATOM 629 ND2 ASN A 42 22.319 -0.239 -12.511 1.00 0.00 N ATOM 0 H ASN A 42 21.493 0.373 -9.604 1.00 0.00 H new ATOM 0 HA ASN A 42 23.339 -0.813 -9.210 1.00 0.00 H new ATOM 0 HB2 ASN A 42 24.408 0.921 -11.476 1.00 0.00 H new ATOM 0 HB3 ASN A 42 25.178 -0.544 -10.899 1.00 0.00 H new ATOM 0 HD21 ASN A 42 21.695 -0.742 -13.142 1.00 0.00 H new ATOM 0 HD22 ASN A 42 22.160 0.750 -12.318 1.00 0.00 H new ATOM 636 N PRO A 43 24.104 1.187 -7.498 1.00 0.00 N ATOM 637 CA PRO A 43 24.927 1.871 -6.496 1.00 0.00 C ATOM 638 C PRO A 43 26.039 0.979 -5.952 1.00 0.00 C ATOM 639 O PRO A 43 26.060 -0.226 -6.202 1.00 0.00 O ATOM 640 CB PRO A 43 23.927 2.213 -5.388 1.00 0.00 C ATOM 641 CG PRO A 43 22.842 1.202 -5.532 1.00 0.00 C ATOM 642 CD PRO A 43 22.746 0.903 -7.002 1.00 0.00 C ATOM 0 HA PRO A 43 25.437 2.740 -6.912 1.00 0.00 H new ATOM 0 HB2 PRO A 43 24.392 2.157 -4.404 1.00 0.00 H new ATOM 0 HB3 PRO A 43 23.542 3.226 -5.501 1.00 0.00 H new ATOM 0 HG2 PRO A 43 23.071 0.300 -4.965 1.00 0.00 H new ATOM 0 HG3 PRO A 43 21.897 1.587 -5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 43 22.461 -0.133 -7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.000 1.529 -7.492 1.00 0.00 H new ATOM 650 N THR A 44 26.962 1.579 -5.208 1.00 0.00 N ATOM 651 CA THR A 44 28.077 0.840 -4.630 1.00 0.00 C ATOM 652 C THR A 44 27.868 0.607 -3.138 1.00 0.00 C ATOM 653 O THR A 44 27.158 1.363 -2.476 1.00 0.00 O ATOM 654 CB THR A 44 29.411 1.581 -4.840 1.00 0.00 C ATOM 655 OG1 THR A 44 29.303 2.929 -4.370 1.00 0.00 O ATOM 656 CG2 THR A 44 29.804 1.581 -6.310 1.00 0.00 C ATOM 0 H THR A 44 26.959 2.576 -4.991 1.00 0.00 H new ATOM 0 HA THR A 44 28.119 -0.121 -5.143 1.00 0.00 H new ATOM 0 HB THR A 44 30.183 1.061 -4.273 1.00 0.00 H new ATOM 0 HG1 THR A 44 30.156 3.392 -4.506 1.00 0.00 H new ATOM 0 HG21 THR A 44 30.749 2.110 -6.434 1.00 0.00 H new ATOM 0 HG22 THR A 44 29.915 0.554 -6.657 1.00 0.00 H new ATOM 0 HG23 THR A 44 29.030 2.080 -6.894 1.00 0.00 H new ATOM 664 N GLU A 45 28.491 -0.445 -2.615 1.00 0.00 N ATOM 665 CA GLU A 45 28.372 -0.777 -1.200 1.00 0.00 C ATOM 666 C GLU A 45 28.323 0.488 -0.347 1.00 0.00 C ATOM 667 O GLU A 45 27.426 0.657 0.479 1.00 0.00 O ATOM 668 CB GLU A 45 29.543 -1.657 -0.760 1.00 0.00 C ATOM 669 CG GLU A 45 29.285 -3.145 -0.932 1.00 0.00 C ATOM 670 CD GLU A 45 30.234 -4.000 -0.115 1.00 0.00 C ATOM 671 OE1 GLU A 45 31.449 -3.713 -0.123 1.00 0.00 O ATOM 672 OE2 GLU A 45 29.760 -4.956 0.534 1.00 0.00 O ATOM 0 H GLU A 45 29.083 -1.081 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 45 27.441 -1.326 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 45 30.429 -1.382 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 45 29.765 -1.454 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 45 28.259 -3.368 -0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 45 29.381 -3.407 -1.986 1.00 0.00 H new ATOM 679 N ALA A 46 29.293 1.372 -0.554 1.00 0.00 N ATOM 680 CA ALA A 46 29.361 2.621 0.195 1.00 0.00 C ATOM 681 C ALA A 46 28.052 3.397 0.086 1.00 0.00 C ATOM 682 O ALA A 46 27.582 3.978 1.064 1.00 0.00 O ATOM 683 CB ALA A 46 30.522 3.470 -0.299 1.00 0.00 C ATOM 0 H ALA A 46 30.043 1.247 -1.234 1.00 0.00 H new ATOM 0 HA ALA A 46 29.524 2.378 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 46 30.561 4.399 0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 46 31.455 2.923 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 46 30.383 3.696 -1.356 1.00 0.00 H new ATOM 689 N GLU A 47 27.470 3.402 -1.109 1.00 0.00 N ATOM 690 CA GLU A 47 26.216 4.109 -1.343 1.00 0.00 C ATOM 691 C GLU A 47 25.047 3.372 -0.697 1.00 0.00 C ATOM 692 O GLU A 47 24.231 3.972 0.005 1.00 0.00 O ATOM 693 CB GLU A 47 25.967 4.265 -2.845 1.00 0.00 C ATOM 694 CG GLU A 47 26.995 5.137 -3.545 1.00 0.00 C ATOM 695 CD GLU A 47 26.804 6.613 -3.255 1.00 0.00 C ATOM 696 OE1 GLU A 47 25.684 7.120 -3.476 1.00 0.00 O ATOM 697 OE2 GLU A 47 27.773 7.261 -2.807 1.00 0.00 O ATOM 0 H GLU A 47 27.846 2.925 -1.929 1.00 0.00 H new ATOM 0 HA GLU A 47 26.295 5.097 -0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.964 3.278 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.976 4.692 -2.998 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.995 4.836 -3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 47 26.934 4.971 -4.621 1.00 0.00 H new ATOM 704 N LEU A 48 24.971 2.068 -0.937 1.00 0.00 N ATOM 705 CA LEU A 48 23.902 1.247 -0.379 1.00 0.00 C ATOM 706 C LEU A 48 23.849 1.381 1.139 1.00 0.00 C ATOM 707 O LEU A 48 22.781 1.583 1.716 1.00 0.00 O ATOM 708 CB LEU A 48 24.102 -0.219 -0.766 1.00 0.00 C ATOM 709 CG LEU A 48 23.815 -0.573 -2.226 1.00 0.00 C ATOM 710 CD1 LEU A 48 24.517 -1.866 -2.610 1.00 0.00 C ATOM 711 CD2 LEU A 48 22.316 -0.688 -2.462 1.00 0.00 C ATOM 0 H LEU A 48 25.637 1.556 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 48 22.956 1.599 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 48 25.132 -0.496 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 48 23.462 -0.832 -0.132 1.00 0.00 H new ATOM 0 HG LEU A 48 24.202 0.228 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.301 -2.102 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.593 -1.748 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 48 24.161 -2.676 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 48 22.130 -0.940 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 48 21.906 -1.469 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 48 21.837 0.263 -2.228 1.00 0.00 H new ATOM 723 N GLN A 49 25.008 1.270 1.779 1.00 0.00 N ATOM 724 CA GLN A 49 25.093 1.381 3.230 1.00 0.00 C ATOM 725 C GLN A 49 24.712 2.783 3.693 1.00 0.00 C ATOM 726 O GLN A 49 23.996 2.949 4.680 1.00 0.00 O ATOM 727 CB GLN A 49 26.506 1.040 3.707 1.00 0.00 C ATOM 728 CG GLN A 49 26.826 -0.445 3.650 1.00 0.00 C ATOM 729 CD GLN A 49 26.232 -1.215 4.813 1.00 0.00 C ATOM 730 OE1 GLN A 49 24.958 -1.572 4.699 1.00 0.00 O flip ATOM 731 NE2 GLN A 49 26.910 -1.486 5.804 1.00 0.00 N flip ATOM 0 H GLN A 49 25.901 1.103 1.316 1.00 0.00 H new ATOM 0 HA GLN A 49 24.389 0.671 3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.227 1.582 3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 49 26.629 1.391 4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.449 -0.858 2.715 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.908 -0.580 3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.886 -1.192 5.850 1.00 0.00 H new ATOM 0 HE22 GLN A 49 26.496 -2.004 6.579 1.00 0.00 H new ATOM 740 N ASP A 50 25.196 3.790 2.973 1.00 0.00 N ATOM 741 CA ASP A 50 24.906 5.179 3.309 1.00 0.00 C ATOM 742 C ASP A 50 23.410 5.460 3.215 1.00 0.00 C ATOM 743 O ASP A 50 22.835 6.112 4.085 1.00 0.00 O ATOM 744 CB ASP A 50 25.674 6.121 2.381 1.00 0.00 C ATOM 745 CG ASP A 50 27.051 6.464 2.914 1.00 0.00 C ATOM 746 OD1 ASP A 50 27.224 6.467 4.150 1.00 0.00 O ATOM 747 OD2 ASP A 50 27.955 6.731 2.094 1.00 0.00 O ATOM 0 H ASP A 50 25.791 3.670 2.153 1.00 0.00 H new ATOM 0 HA ASP A 50 25.226 5.353 4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 50 25.773 5.658 1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 50 25.102 7.038 2.245 1.00 0.00 H new ATOM 752 N MET A 51 22.785 4.963 2.152 1.00 0.00 N ATOM 753 CA MET A 51 21.355 5.160 1.945 1.00 0.00 C ATOM 754 C MET A 51 20.548 4.482 3.047 1.00 0.00 C ATOM 755 O MET A 51 19.613 5.068 3.594 1.00 0.00 O ATOM 756 CB MET A 51 20.936 4.613 0.579 1.00 0.00 C ATOM 757 CG MET A 51 21.423 5.456 -0.589 1.00 0.00 C ATOM 758 SD MET A 51 20.651 4.991 -2.150 1.00 0.00 S ATOM 759 CE MET A 51 21.552 3.492 -2.540 1.00 0.00 C ATOM 0 H MET A 51 23.246 4.421 1.421 1.00 0.00 H new ATOM 0 HA MET A 51 21.152 6.230 1.977 1.00 0.00 H new ATOM 0 HB2 MET A 51 21.320 3.599 0.470 1.00 0.00 H new ATOM 0 HB3 MET A 51 19.849 4.548 0.541 1.00 0.00 H new ATOM 0 HG2 MET A 51 21.217 6.507 -0.385 1.00 0.00 H new ATOM 0 HG3 MET A 51 22.505 5.355 -0.679 1.00 0.00 H new ATOM 0 HE1 MET A 51 21.873 3.521 -3.581 1.00 0.00 H new ATOM 0 HE2 MET A 51 22.426 3.414 -1.893 1.00 0.00 H new ATOM 0 HE3 MET A 51 20.906 2.628 -2.383 1.00 0.00 H new ATOM 769 N ILE A 52 20.913 3.246 3.367 1.00 0.00 N ATOM 770 CA ILE A 52 20.223 2.490 4.405 1.00 0.00 C ATOM 771 C ILE A 52 20.474 3.091 5.783 1.00 0.00 C ATOM 772 O ILE A 52 19.543 3.517 6.465 1.00 0.00 O ATOM 773 CB ILE A 52 20.662 1.014 4.413 1.00 0.00 C ATOM 774 CG1 ILE A 52 20.332 0.353 3.073 1.00 0.00 C ATOM 775 CG2 ILE A 52 19.992 0.268 5.557 1.00 0.00 C ATOM 776 CD1 ILE A 52 21.135 -0.901 2.803 1.00 0.00 C ATOM 0 H ILE A 52 21.683 2.746 2.922 1.00 0.00 H new ATOM 0 HA ILE A 52 19.158 2.543 4.177 1.00 0.00 H new ATOM 0 HB ILE A 52 21.741 0.973 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 52 19.270 0.107 3.050 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.510 1.069 2.270 1.00 0.00 H new ATOM 0 HG21 ILE A 52 20.312 -0.774 5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 52 20.273 0.727 6.505 1.00 0.00 H new ATOM 0 HG23 ILE A 52 18.910 0.316 5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 52 20.849 -1.315 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 52 22.197 -0.658 2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 52 20.938 -1.634 3.585 1.00 0.00 H new ATOM 788 N ASN A 53 21.740 3.124 6.186 1.00 0.00 N ATOM 789 CA ASN A 53 22.115 3.675 7.483 1.00 0.00 C ATOM 790 C ASN A 53 21.351 4.965 7.768 1.00 0.00 C ATOM 791 O ASN A 53 20.849 5.168 8.873 1.00 0.00 O ATOM 792 CB ASN A 53 23.621 3.941 7.532 1.00 0.00 C ATOM 793 CG ASN A 53 24.410 2.719 7.963 1.00 0.00 C ATOM 794 OD1 ASN A 53 24.370 2.320 9.127 1.00 0.00 O ATOM 795 ND2 ASN A 53 25.132 2.120 7.024 1.00 0.00 N ATOM 0 H ASN A 53 22.523 2.776 5.633 1.00 0.00 H new ATOM 0 HA ASN A 53 21.857 2.943 8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 53 23.963 4.262 6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 53 23.820 4.761 8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 53 25.684 1.294 7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 53 25.135 2.486 6.072 1.00 0.00 H new ATOM 802 N GLU A 54 21.266 5.831 6.763 1.00 0.00 N ATOM 803 CA GLU A 54 20.563 7.100 6.907 1.00 0.00 C ATOM 804 C GLU A 54 19.199 6.896 7.560 1.00 0.00 C ATOM 805 O GLU A 54 18.822 7.626 8.477 1.00 0.00 O ATOM 806 CB GLU A 54 20.392 7.771 5.542 1.00 0.00 C ATOM 807 CG GLU A 54 21.591 8.601 5.117 1.00 0.00 C ATOM 808 CD GLU A 54 21.787 9.829 5.984 1.00 0.00 C ATOM 809 OE1 GLU A 54 21.010 10.794 5.829 1.00 0.00 O ATOM 810 OE2 GLU A 54 22.717 9.825 6.817 1.00 0.00 O ATOM 0 H GLU A 54 21.675 5.677 5.841 1.00 0.00 H new ATOM 0 HA GLU A 54 21.161 7.746 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.207 7.004 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.510 8.410 5.569 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.489 7.984 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.465 8.910 4.079 1.00 0.00 H new ATOM 817 N VAL A 55 18.464 5.898 7.081 1.00 0.00 N ATOM 818 CA VAL A 55 17.142 5.596 7.617 1.00 0.00 C ATOM 819 C VAL A 55 17.242 4.733 8.870 1.00 0.00 C ATOM 820 O VAL A 55 16.510 4.939 9.839 1.00 0.00 O ATOM 821 CB VAL A 55 16.265 4.874 6.577 1.00 0.00 C ATOM 822 CG1 VAL A 55 14.969 4.393 7.213 1.00 0.00 C ATOM 823 CG2 VAL A 55 15.982 5.786 5.394 1.00 0.00 C ATOM 0 H VAL A 55 18.762 5.284 6.322 1.00 0.00 H new ATOM 0 HA VAL A 55 16.678 6.549 7.872 1.00 0.00 H new ATOM 0 HB VAL A 55 16.808 4.002 6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.362 3.885 6.463 1.00 0.00 H new ATOM 0 HG12 VAL A 55 15.197 3.702 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 55 14.419 5.247 7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.361 5.260 4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 55 15.460 6.678 5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.922 6.075 4.924 1.00 0.00 H new ATOM 833 N ASP A 56 18.151 3.765 8.844 1.00 0.00 N ATOM 834 CA ASP A 56 18.348 2.870 9.978 1.00 0.00 C ATOM 835 C ASP A 56 18.214 3.626 11.296 1.00 0.00 C ATOM 836 O ASP A 56 19.142 4.308 11.730 1.00 0.00 O ATOM 837 CB ASP A 56 19.722 2.203 9.896 1.00 0.00 C ATOM 838 CG ASP A 56 19.807 0.945 10.738 1.00 0.00 C ATOM 839 OD1 ASP A 56 18.820 0.180 10.761 1.00 0.00 O ATOM 840 OD2 ASP A 56 20.858 0.727 11.375 1.00 0.00 O ATOM 0 H ASP A 56 18.763 3.580 8.050 1.00 0.00 H new ATOM 0 HA ASP A 56 17.577 2.101 9.941 1.00 0.00 H new ATOM 0 HB2 ASP A 56 19.941 1.957 8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.485 2.909 10.224 1.00 0.00 H new ATOM 845 N ALA A 57 17.052 3.500 11.929 1.00 0.00 N ATOM 846 CA ALA A 57 16.796 4.170 13.198 1.00 0.00 C ATOM 847 C ALA A 57 17.293 3.332 14.371 1.00 0.00 C ATOM 848 O ALA A 57 18.252 3.703 15.049 1.00 0.00 O ATOM 849 CB ALA A 57 15.311 4.464 13.349 1.00 0.00 C ATOM 0 H ALA A 57 16.273 2.940 11.583 1.00 0.00 H new ATOM 0 HA ALA A 57 17.344 5.112 13.200 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.134 4.964 14.301 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.983 5.109 12.534 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.750 3.530 13.321 1.00 0.00 H new ATOM 855 N ASP A 58 16.636 2.202 14.606 1.00 0.00 N ATOM 856 CA ASP A 58 17.012 1.311 15.697 1.00 0.00 C ATOM 857 C ASP A 58 18.525 1.299 15.893 1.00 0.00 C ATOM 858 O ASP A 58 19.016 1.341 17.020 1.00 0.00 O ATOM 859 CB ASP A 58 16.509 -0.107 15.423 1.00 0.00 C ATOM 860 CG ASP A 58 16.656 -0.501 13.966 1.00 0.00 C ATOM 861 OD1 ASP A 58 17.473 0.127 13.261 1.00 0.00 O ATOM 862 OD2 ASP A 58 15.954 -1.438 13.531 1.00 0.00 O ATOM 0 H ASP A 58 15.840 1.881 14.055 1.00 0.00 H new ATOM 0 HA ASP A 58 16.549 1.682 16.611 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.061 -0.812 16.045 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.461 -0.180 15.712 1.00 0.00 H new ATOM 867 N GLY A 59 19.259 1.242 14.786 1.00 0.00 N ATOM 868 CA GLY A 59 20.708 1.224 14.857 1.00 0.00 C ATOM 869 C GLY A 59 21.279 -0.172 14.707 1.00 0.00 C ATOM 870 O GLY A 59 22.268 -0.518 15.353 1.00 0.00 O ATOM 0 H GLY A 59 18.876 1.208 13.841 1.00 0.00 H new ATOM 0 HA2 GLY A 59 21.115 1.865 14.075 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.027 1.643 15.811 1.00 0.00 H new ATOM 874 N ASN A 60 20.654 -0.977 13.854 1.00 0.00 N ATOM 875 CA ASN A 60 21.105 -2.345 13.624 1.00 0.00 C ATOM 876 C ASN A 60 21.897 -2.445 12.324 1.00 0.00 C ATOM 877 O ASN A 60 22.960 -3.062 12.278 1.00 0.00 O ATOM 878 CB ASN A 60 19.908 -3.298 13.580 1.00 0.00 C ATOM 879 CG ASN A 60 18.872 -2.878 12.556 1.00 0.00 C ATOM 880 OD1 ASN A 60 18.718 -1.692 12.262 1.00 0.00 O ATOM 881 ND2 ASN A 60 18.155 -3.851 12.006 1.00 0.00 N ATOM 0 H ASN A 60 19.834 -0.706 13.311 1.00 0.00 H new ATOM 0 HA ASN A 60 21.758 -2.630 14.449 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.257 -4.304 13.348 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.444 -3.340 14.566 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.443 -3.629 11.310 1.00 0.00 H new ATOM 0 HD22 ASN A 60 18.316 -4.820 12.279 1.00 0.00 H new ATOM 888 N GLY A 61 21.370 -1.833 11.268 1.00 0.00 N ATOM 889 CA GLY A 61 22.041 -1.864 9.981 1.00 0.00 C ATOM 890 C GLY A 61 21.082 -2.112 8.833 1.00 0.00 C ATOM 891 O GLY A 61 21.280 -1.606 7.728 1.00 0.00 O ATOM 0 H GLY A 61 20.491 -1.316 11.280 1.00 0.00 H new ATOM 0 HA2 GLY A 61 22.557 -0.917 9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 61 22.802 -2.645 9.990 1.00 0.00 H new ATOM 895 N THR A 62 20.039 -2.895 9.093 1.00 0.00 N ATOM 896 CA THR A 62 19.048 -3.211 8.073 1.00 0.00 C ATOM 897 C THR A 62 17.752 -2.444 8.309 1.00 0.00 C ATOM 898 O THR A 62 17.316 -2.279 9.449 1.00 0.00 O ATOM 899 CB THR A 62 18.739 -4.720 8.039 1.00 0.00 C ATOM 900 OG1 THR A 62 18.194 -5.137 9.295 1.00 0.00 O ATOM 901 CG2 THR A 62 19.995 -5.523 7.734 1.00 0.00 C ATOM 0 H THR A 62 19.859 -3.322 10.002 1.00 0.00 H new ATOM 0 HA THR A 62 19.474 -2.913 7.115 1.00 0.00 H new ATOM 0 HB THR A 62 18.010 -4.901 7.249 1.00 0.00 H new ATOM 0 HG1 THR A 62 17.999 -6.097 9.264 1.00 0.00 H new ATOM 0 HG21 THR A 62 19.752 -6.585 7.715 1.00 0.00 H new ATOM 0 HG22 THR A 62 20.391 -5.224 6.764 1.00 0.00 H new ATOM 0 HG23 THR A 62 20.743 -5.335 8.505 1.00 0.00 H new ATOM 909 N ILE A 63 17.140 -1.978 7.225 1.00 0.00 N ATOM 910 CA ILE A 63 15.893 -1.230 7.315 1.00 0.00 C ATOM 911 C ILE A 63 14.739 -2.134 7.735 1.00 0.00 C ATOM 912 O ILE A 63 14.757 -3.339 7.483 1.00 0.00 O ATOM 913 CB ILE A 63 15.541 -0.558 5.975 1.00 0.00 C ATOM 914 CG1 ILE A 63 16.681 0.360 5.526 1.00 0.00 C ATOM 915 CG2 ILE A 63 14.242 0.224 6.099 1.00 0.00 C ATOM 916 CD1 ILE A 63 16.736 0.565 4.028 1.00 0.00 C ATOM 0 H ILE A 63 17.488 -2.106 6.275 1.00 0.00 H new ATOM 0 HA ILE A 63 16.042 -0.459 8.071 1.00 0.00 H new ATOM 0 HB ILE A 63 15.404 -1.333 5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.570 1.329 6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 63 17.629 -0.060 5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 63 14.007 0.693 5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 63 13.435 -0.453 6.379 1.00 0.00 H new ATOM 0 HG23 ILE A 63 14.352 0.993 6.863 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.567 1.226 3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 63 16.878 -0.396 3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 63 15.803 1.014 3.688 1.00 0.00 H new ATOM 928 N ASP A 64 13.736 -1.545 8.376 1.00 0.00 N ATOM 929 CA ASP A 64 12.571 -2.296 8.829 1.00 0.00 C ATOM 930 C ASP A 64 11.291 -1.733 8.220 1.00 0.00 C ATOM 931 O ASP A 64 11.331 -0.810 7.407 1.00 0.00 O ATOM 932 CB ASP A 64 12.480 -2.266 10.356 1.00 0.00 C ATOM 933 CG ASP A 64 13.820 -2.510 11.021 1.00 0.00 C ATOM 934 OD1 ASP A 64 14.610 -3.315 10.484 1.00 0.00 O ATOM 935 OD2 ASP A 64 14.079 -1.897 12.078 1.00 0.00 O ATOM 0 H ASP A 64 13.706 -0.549 8.594 1.00 0.00 H new ATOM 0 HA ASP A 64 12.685 -3.329 8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.090 -1.299 10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.769 -3.022 10.690 1.00 0.00 H new ATOM 940 N PHE A 65 10.155 -2.297 8.618 1.00 0.00 N ATOM 941 CA PHE A 65 8.862 -1.852 8.109 1.00 0.00 C ATOM 942 C PHE A 65 8.625 -0.381 8.437 1.00 0.00 C ATOM 943 O PHE A 65 8.262 0.422 7.577 1.00 0.00 O ATOM 944 CB PHE A 65 7.737 -2.706 8.699 1.00 0.00 C ATOM 945 CG PHE A 65 6.550 -2.844 7.791 1.00 0.00 C ATOM 946 CD1 PHE A 65 5.952 -1.725 7.234 1.00 0.00 C ATOM 947 CD2 PHE A 65 6.031 -4.094 7.492 1.00 0.00 C ATOM 948 CE1 PHE A 65 4.859 -1.850 6.398 1.00 0.00 C ATOM 949 CE2 PHE A 65 4.938 -4.225 6.656 1.00 0.00 C ATOM 950 CZ PHE A 65 4.352 -3.101 6.108 1.00 0.00 C ATOM 0 H PHE A 65 10.103 -3.062 9.291 1.00 0.00 H new ATOM 0 HA PHE A 65 8.867 -1.968 7.025 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.127 -3.698 8.928 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.414 -2.265 9.642 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.345 -0.744 7.456 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.486 -4.976 7.917 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.401 -0.970 5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.543 -5.205 6.432 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.499 -3.200 5.454 1.00 0.00 H new ATOM 960 N PRO A 66 8.834 -0.018 9.711 1.00 0.00 N ATOM 961 CA PRO A 66 8.650 1.358 10.183 1.00 0.00 C ATOM 962 C PRO A 66 9.711 2.305 9.635 1.00 0.00 C ATOM 963 O PRO A 66 9.391 3.359 9.086 1.00 0.00 O ATOM 964 CB PRO A 66 8.778 1.231 11.703 1.00 0.00 C ATOM 965 CG PRO A 66 9.613 0.015 11.913 1.00 0.00 C ATOM 966 CD PRO A 66 9.268 -0.922 10.789 1.00 0.00 C ATOM 0 HA PRO A 66 7.699 1.778 9.856 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.249 2.114 12.136 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.801 1.127 12.175 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.674 0.264 11.902 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.402 -0.441 12.880 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.127 -1.522 10.488 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.478 -1.617 11.073 1.00 0.00 H new ATOM 974 N GLU A 67 10.975 1.923 9.789 1.00 0.00 N ATOM 975 CA GLU A 67 12.084 2.741 9.309 1.00 0.00 C ATOM 976 C GLU A 67 11.971 2.983 7.807 1.00 0.00 C ATOM 977 O GLU A 67 12.112 4.112 7.337 1.00 0.00 O ATOM 978 CB GLU A 67 13.420 2.067 9.629 1.00 0.00 C ATOM 979 CG GLU A 67 13.517 1.555 11.056 1.00 0.00 C ATOM 980 CD GLU A 67 14.872 0.950 11.368 1.00 0.00 C ATOM 981 OE1 GLU A 67 15.390 0.190 10.523 1.00 0.00 O ATOM 982 OE2 GLU A 67 15.413 1.235 12.457 1.00 0.00 O ATOM 0 H GLU A 67 11.257 1.053 10.242 1.00 0.00 H new ATOM 0 HA GLU A 67 12.039 3.703 9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.571 1.234 8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.227 2.777 9.451 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.322 2.376 11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.742 0.807 11.223 1.00 0.00 H new ATOM 989 N PHE A 68 11.716 1.915 7.059 1.00 0.00 N ATOM 990 CA PHE A 68 11.585 2.010 5.609 1.00 0.00 C ATOM 991 C PHE A 68 10.695 3.187 5.220 1.00 0.00 C ATOM 992 O PHE A 68 11.016 3.946 4.304 1.00 0.00 O ATOM 993 CB PHE A 68 11.010 0.711 5.042 1.00 0.00 C ATOM 994 CG PHE A 68 10.417 0.867 3.670 1.00 0.00 C ATOM 995 CD1 PHE A 68 11.224 0.842 2.545 1.00 0.00 C ATOM 996 CD2 PHE A 68 9.052 1.040 3.507 1.00 0.00 C ATOM 997 CE1 PHE A 68 10.682 0.984 1.282 1.00 0.00 C ATOM 998 CE2 PHE A 68 8.504 1.183 2.246 1.00 0.00 C ATOM 999 CZ PHE A 68 9.320 1.157 1.132 1.00 0.00 C ATOM 0 H PHE A 68 11.596 0.973 7.432 1.00 0.00 H new ATOM 0 HA PHE A 68 12.577 2.173 5.189 1.00 0.00 H new ATOM 0 HB2 PHE A 68 11.799 -0.041 5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.243 0.336 5.720 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.290 0.710 2.656 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.409 1.063 4.375 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.323 0.960 0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.438 1.315 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.894 1.272 0.146 1.00 0.00 H new ATOM 1009 N LEU A 69 9.576 3.332 5.920 1.00 0.00 N ATOM 1010 CA LEU A 69 8.638 4.416 5.648 1.00 0.00 C ATOM 1011 C LEU A 69 9.362 5.756 5.576 1.00 0.00 C ATOM 1012 O LEU A 69 8.974 6.644 4.814 1.00 0.00 O ATOM 1013 CB LEU A 69 7.557 4.464 6.729 1.00 0.00 C ATOM 1014 CG LEU A 69 6.758 3.177 6.938 1.00 0.00 C ATOM 1015 CD1 LEU A 69 6.087 3.181 8.303 1.00 0.00 C ATOM 1016 CD2 LEU A 69 5.726 3.005 5.834 1.00 0.00 C ATOM 0 H LEU A 69 9.296 2.713 6.680 1.00 0.00 H new ATOM 0 HA LEU A 69 8.169 4.225 4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.029 4.733 7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.860 5.265 6.482 1.00 0.00 H new ATOM 0 HG LEU A 69 7.447 2.333 6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.523 2.257 8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.846 3.256 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.410 4.032 8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.167 2.084 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.040 3.852 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.230 2.955 4.869 1.00 0.00 H new ATOM 1028 N THR A 70 10.417 5.898 6.372 1.00 0.00 N ATOM 1029 CA THR A 70 11.196 7.129 6.398 1.00 0.00 C ATOM 1030 C THR A 70 11.852 7.393 5.047 1.00 0.00 C ATOM 1031 O THR A 70 11.751 8.491 4.502 1.00 0.00 O ATOM 1032 CB THR A 70 12.286 7.082 7.485 1.00 0.00 C ATOM 1033 OG1 THR A 70 11.683 6.940 8.776 1.00 0.00 O ATOM 1034 CG2 THR A 70 13.137 8.343 7.453 1.00 0.00 C ATOM 0 H THR A 70 10.752 5.174 7.008 1.00 0.00 H new ATOM 0 HA THR A 70 10.501 7.938 6.626 1.00 0.00 H new ATOM 0 HB THR A 70 12.929 6.224 7.288 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.382 6.909 9.462 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.900 8.287 8.230 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.617 8.433 6.479 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.505 9.213 7.628 1.00 0.00 H new ATOM 1042 N MET A 71 12.524 6.379 4.513 1.00 0.00 N ATOM 1043 CA MET A 71 13.196 6.502 3.224 1.00 0.00 C ATOM 1044 C MET A 71 12.211 6.917 2.136 1.00 0.00 C ATOM 1045 O MET A 71 12.473 7.844 1.371 1.00 0.00 O ATOM 1046 CB MET A 71 13.865 5.179 2.846 1.00 0.00 C ATOM 1047 CG MET A 71 14.444 5.171 1.440 1.00 0.00 C ATOM 1048 SD MET A 71 14.755 3.505 0.827 1.00 0.00 S ATOM 1049 CE MET A 71 13.084 2.873 0.699 1.00 0.00 C ATOM 0 H MET A 71 12.618 5.463 4.952 1.00 0.00 H new ATOM 0 HA MET A 71 13.960 7.275 3.312 1.00 0.00 H new ATOM 0 HB2 MET A 71 14.661 4.967 3.559 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.135 4.374 2.934 1.00 0.00 H new ATOM 0 HG2 MET A 71 13.756 5.680 0.765 1.00 0.00 H new ATOM 0 HG3 MET A 71 15.376 5.737 1.432 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.109 1.853 0.314 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.617 2.878 1.684 1.00 0.00 H new ATOM 0 HE3 MET A 71 12.508 3.502 0.021 1.00 0.00 H new ATOM 1059 N MET A 72 11.079 6.224 2.073 1.00 0.00 N ATOM 1060 CA MET A 72 10.055 6.523 1.078 1.00 0.00 C ATOM 1061 C MET A 72 9.722 8.011 1.070 1.00 0.00 C ATOM 1062 O MET A 72 9.549 8.613 0.011 1.00 0.00 O ATOM 1063 CB MET A 72 8.791 5.707 1.354 1.00 0.00 C ATOM 1064 CG MET A 72 8.877 4.270 0.867 1.00 0.00 C ATOM 1065 SD MET A 72 7.270 3.596 0.402 1.00 0.00 S ATOM 1066 CE MET A 72 6.977 4.454 -1.142 1.00 0.00 C ATOM 0 H MET A 72 10.847 5.452 2.698 1.00 0.00 H new ATOM 0 HA MET A 72 10.447 6.252 0.098 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.595 5.707 2.426 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.942 6.194 0.875 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.549 4.221 0.010 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.313 3.651 1.651 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.206 3.932 -1.708 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.648 5.473 -0.936 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.898 4.481 -1.724 1.00 0.00 H new ATOM 1284 N ARG A 86 5.218 15.331 -16.928 1.00 0.00 N ATOM 1285 CA ARG A 86 3.861 15.283 -17.460 1.00 0.00 C ATOM 1286 C ARG A 86 3.446 16.644 -18.013 1.00 0.00 C ATOM 1287 O ARG A 86 3.131 16.773 -19.195 1.00 0.00 O ATOM 1288 CB ARG A 86 2.879 14.841 -16.373 1.00 0.00 C ATOM 1289 CG ARG A 86 3.123 13.428 -15.870 1.00 0.00 C ATOM 1290 CD ARG A 86 2.512 12.392 -16.800 1.00 0.00 C ATOM 1291 NE ARG A 86 1.057 12.502 -16.861 1.00 0.00 N ATOM 1292 CZ ARG A 86 0.256 11.494 -17.189 1.00 0.00 C ATOM 1293 NH1 ARG A 86 0.767 10.307 -17.484 1.00 0.00 N ATOM 1294 NH2 ARG A 86 -1.058 11.672 -17.221 1.00 0.00 N ATOM 0 HA ARG A 86 3.842 14.558 -18.273 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.944 15.533 -15.533 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.864 14.908 -16.763 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.195 13.252 -15.782 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.699 13.318 -14.872 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.927 12.513 -17.801 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.786 11.393 -16.460 1.00 0.00 H new ATOM 0 HE ARG A 86 0.632 13.403 -16.640 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.777 10.166 -17.459 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.150 9.534 -17.736 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.455 12.584 -16.994 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.672 10.897 -17.473 1.00 0.00 H new ATOM 1308 N GLU A 87 3.448 17.653 -17.148 1.00 0.00 N ATOM 1309 CA GLU A 87 3.070 19.003 -17.551 1.00 0.00 C ATOM 1310 C GLU A 87 3.617 19.331 -18.937 1.00 0.00 C ATOM 1311 O GLU A 87 2.918 19.902 -19.773 1.00 0.00 O ATOM 1312 CB GLU A 87 3.582 20.025 -16.534 1.00 0.00 C ATOM 1313 CG GLU A 87 2.995 19.846 -15.143 1.00 0.00 C ATOM 1314 CD GLU A 87 1.562 20.332 -15.048 1.00 0.00 C ATOM 1315 OE1 GLU A 87 0.821 20.190 -16.043 1.00 0.00 O ATOM 1316 OE2 GLU A 87 1.182 20.853 -13.979 1.00 0.00 O ATOM 0 H GLU A 87 3.707 17.562 -16.166 1.00 0.00 H new ATOM 0 HA GLU A 87 1.982 19.052 -17.588 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.668 19.952 -16.473 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.350 21.028 -16.891 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.036 18.792 -14.868 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.607 20.388 -14.422 1.00 0.00 H new ATOM 1323 N ALA A 88 4.873 18.965 -19.172 1.00 0.00 N ATOM 1324 CA ALA A 88 5.515 19.218 -20.457 1.00 0.00 C ATOM 1325 C ALA A 88 4.953 18.304 -21.541 1.00 0.00 C ATOM 1326 O ALA A 88 4.728 18.733 -22.673 1.00 0.00 O ATOM 1327 CB ALA A 88 7.021 19.037 -20.339 1.00 0.00 C ATOM 0 H ALA A 88 5.466 18.493 -18.490 1.00 0.00 H new ATOM 0 HA ALA A 88 5.306 20.249 -20.743 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.487 19.229 -21.305 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.415 19.736 -19.601 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.241 18.016 -20.026 1.00 0.00 H new ATOM 1333 N PHE A 89 4.729 17.043 -21.187 1.00 0.00 N ATOM 1334 CA PHE A 89 4.195 16.068 -22.131 1.00 0.00 C ATOM 1335 C PHE A 89 2.796 16.466 -22.591 1.00 0.00 C ATOM 1336 O PHE A 89 2.430 16.261 -23.748 1.00 0.00 O ATOM 1337 CB PHE A 89 4.159 14.677 -21.494 1.00 0.00 C ATOM 1338 CG PHE A 89 3.302 13.697 -22.243 1.00 0.00 C ATOM 1339 CD1 PHE A 89 3.613 13.340 -23.546 1.00 0.00 C ATOM 1340 CD2 PHE A 89 2.187 13.132 -21.646 1.00 0.00 C ATOM 1341 CE1 PHE A 89 2.826 12.438 -24.238 1.00 0.00 C ATOM 1342 CE2 PHE A 89 1.397 12.230 -22.333 1.00 0.00 C ATOM 1343 CZ PHE A 89 1.718 11.882 -23.630 1.00 0.00 C ATOM 0 H PHE A 89 4.909 16.672 -20.254 1.00 0.00 H new ATOM 0 HA PHE A 89 4.851 16.045 -23.001 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.175 14.287 -21.434 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.790 14.764 -20.472 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.479 13.771 -24.026 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.932 13.400 -20.631 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.078 12.169 -25.253 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.530 11.798 -21.856 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.103 11.176 -24.168 1.00 0.00 H new ATOM 1353 N ARG A 90 2.018 17.036 -21.676 1.00 0.00 N ATOM 1354 CA ARG A 90 0.659 17.461 -21.986 1.00 0.00 C ATOM 1355 C ARG A 90 0.662 18.570 -23.035 1.00 0.00 C ATOM 1356 O ARG A 90 -0.134 18.553 -23.974 1.00 0.00 O ATOM 1357 CB ARG A 90 -0.049 17.945 -20.719 1.00 0.00 C ATOM 1358 CG ARG A 90 -0.330 16.836 -19.718 1.00 0.00 C ATOM 1359 CD ARG A 90 -0.822 17.395 -18.392 1.00 0.00 C ATOM 1360 NE ARG A 90 -1.431 16.364 -17.556 1.00 0.00 N ATOM 1361 CZ ARG A 90 -2.584 15.771 -17.844 1.00 0.00 C ATOM 1362 NH1 ARG A 90 -3.248 16.104 -18.942 1.00 0.00 N ATOM 1363 NH2 ARG A 90 -3.074 14.842 -17.034 1.00 0.00 N ATOM 0 H ARG A 90 2.306 17.214 -20.714 1.00 0.00 H new ATOM 0 HA ARG A 90 0.121 16.604 -22.390 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.563 18.709 -20.240 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.990 18.419 -20.997 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.077 16.156 -20.127 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.577 16.253 -19.555 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.013 17.849 -17.858 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.548 18.186 -18.579 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.944 16.084 -16.704 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.874 16.817 -19.568 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.133 15.647 -19.161 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.565 14.582 -16.189 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.960 14.387 -17.256 1.00 0.00 H new ATOM 1377 N VAL A 91 1.563 19.533 -22.867 1.00 0.00 N ATOM 1378 CA VAL A 91 1.670 20.649 -23.799 1.00 0.00 C ATOM 1379 C VAL A 91 1.836 20.156 -25.231 1.00 0.00 C ATOM 1380 O VAL A 91 1.026 20.466 -26.104 1.00 0.00 O ATOM 1381 CB VAL A 91 2.856 21.566 -23.442 1.00 0.00 C ATOM 1382 CG1 VAL A 91 2.980 22.696 -24.453 1.00 0.00 C ATOM 1383 CG2 VAL A 91 2.700 22.115 -22.032 1.00 0.00 C ATOM 0 H VAL A 91 2.229 19.563 -22.095 1.00 0.00 H new ATOM 0 HA VAL A 91 0.743 21.218 -23.720 1.00 0.00 H new ATOM 0 HB VAL A 91 3.772 20.977 -23.478 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.823 23.333 -24.185 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.142 22.279 -25.447 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.064 23.287 -24.453 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.546 22.760 -21.797 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.776 22.690 -21.965 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.665 21.289 -21.322 1.00 0.00 H new ATOM 1393 N PHE A 92 2.892 19.384 -25.467 1.00 0.00 N ATOM 1394 CA PHE A 92 3.166 18.847 -26.795 1.00 0.00 C ATOM 1395 C PHE A 92 1.968 18.060 -27.320 1.00 0.00 C ATOM 1396 O PHE A 92 1.552 18.235 -28.466 1.00 0.00 O ATOM 1397 CB PHE A 92 4.404 17.949 -26.760 1.00 0.00 C ATOM 1398 CG PHE A 92 5.670 18.687 -26.430 1.00 0.00 C ATOM 1399 CD1 PHE A 92 6.154 19.672 -27.275 1.00 0.00 C ATOM 1400 CD2 PHE A 92 6.377 18.394 -25.274 1.00 0.00 C ATOM 1401 CE1 PHE A 92 7.318 20.354 -26.974 1.00 0.00 C ATOM 1402 CE2 PHE A 92 7.542 19.072 -24.968 1.00 0.00 C ATOM 1403 CZ PHE A 92 8.014 20.052 -25.820 1.00 0.00 C ATOM 0 H PHE A 92 3.572 19.116 -24.756 1.00 0.00 H new ATOM 0 HA PHE A 92 3.352 19.684 -27.467 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.250 17.160 -26.024 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.518 17.463 -27.729 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.615 19.910 -28.180 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.014 17.628 -24.605 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.683 21.122 -27.640 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.083 18.836 -24.064 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.926 20.581 -25.584 1.00 0.00 H new ATOM 1413 N ASP A 93 1.420 17.195 -26.475 1.00 0.00 N ATOM 1414 CA ASP A 93 0.270 16.381 -26.853 1.00 0.00 C ATOM 1415 C ASP A 93 -0.941 17.258 -27.155 1.00 0.00 C ATOM 1416 O ASP A 93 -1.831 17.416 -26.319 1.00 0.00 O ATOM 1417 CB ASP A 93 -0.068 15.389 -25.739 1.00 0.00 C ATOM 1418 CG ASP A 93 -0.834 14.185 -26.249 1.00 0.00 C ATOM 1419 OD1 ASP A 93 -0.759 13.905 -27.464 1.00 0.00 O ATOM 1420 OD2 ASP A 93 -1.509 13.521 -25.434 1.00 0.00 O ATOM 0 H ASP A 93 1.753 17.039 -25.524 1.00 0.00 H new ATOM 0 HA ASP A 93 0.529 15.827 -27.755 1.00 0.00 H new ATOM 0 HB2 ASP A 93 0.853 15.055 -25.262 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.658 15.894 -24.974 1.00 0.00 H new ATOM 1425 N LYS A 94 -0.967 17.829 -28.354 1.00 0.00 N ATOM 1426 CA LYS A 94 -2.068 18.691 -28.768 1.00 0.00 C ATOM 1427 C LYS A 94 -3.399 17.950 -28.686 1.00 0.00 C ATOM 1428 O LYS A 94 -4.280 18.321 -27.910 1.00 0.00 O ATOM 1429 CB LYS A 94 -1.840 19.196 -30.195 1.00 0.00 C ATOM 1430 CG LYS A 94 -0.982 20.447 -30.267 1.00 0.00 C ATOM 1431 CD LYS A 94 -1.829 21.707 -30.209 1.00 0.00 C ATOM 1432 CE LYS A 94 -0.968 22.960 -30.262 1.00 0.00 C ATOM 1433 NZ LYS A 94 -1.593 24.094 -29.526 1.00 0.00 N ATOM 0 H LYS A 94 -0.238 17.710 -29.057 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.104 19.543 -28.090 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.367 18.407 -30.780 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.805 19.400 -30.658 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.269 20.448 -29.443 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.402 20.439 -31.190 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.533 21.712 -31.041 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.419 21.708 -29.293 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.012 22.746 -29.835 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.807 23.246 -31.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.976 24.929 -29.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.517 24.315 -29.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.724 23.831 -28.528 1.00 0.00 H new ATOM 1447 N ASP A 95 -3.538 16.903 -29.491 1.00 0.00 N ATOM 1448 CA ASP A 95 -4.761 16.109 -29.508 1.00 0.00 C ATOM 1449 C ASP A 95 -5.100 15.602 -28.110 1.00 0.00 C ATOM 1450 O ASP A 95 -6.259 15.617 -27.697 1.00 0.00 O ATOM 1451 CB ASP A 95 -4.615 14.928 -30.470 1.00 0.00 C ATOM 1452 CG ASP A 95 -3.503 13.982 -30.060 1.00 0.00 C ATOM 1453 OD1 ASP A 95 -2.539 14.445 -29.416 1.00 0.00 O ATOM 1454 OD2 ASP A 95 -3.597 12.780 -30.385 1.00 0.00 O ATOM 0 H ASP A 95 -2.819 16.584 -30.140 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.574 16.749 -29.850 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -5.556 14.380 -30.514 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.417 15.303 -31.474 1.00 0.00 H new ATOM 1459 N GLY A 96 -4.079 15.154 -27.385 1.00 0.00 N ATOM 1460 CA GLY A 96 -4.289 14.648 -26.041 1.00 0.00 C ATOM 1461 C GLY A 96 -4.738 13.200 -26.030 1.00 0.00 C ATOM 1462 O GLY A 96 -5.623 12.824 -25.263 1.00 0.00 O ATOM 0 H GLY A 96 -3.111 15.133 -27.705 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.364 14.743 -25.472 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.037 15.261 -25.538 1.00 0.00 H new ATOM 1466 N ASN A 97 -4.126 12.386 -26.884 1.00 0.00 N ATOM 1467 CA ASN A 97 -4.469 10.971 -26.971 1.00 0.00 C ATOM 1468 C ASN A 97 -3.422 10.113 -26.268 1.00 0.00 C ATOM 1469 O ASN A 97 -3.756 9.185 -25.534 1.00 0.00 O ATOM 1470 CB ASN A 97 -4.595 10.545 -28.435 1.00 0.00 C ATOM 1471 CG ASN A 97 -3.247 10.431 -29.122 1.00 0.00 C ATOM 1472 OD1 ASN A 97 -2.379 11.287 -28.954 1.00 0.00 O ATOM 1473 ND2 ASN A 97 -3.068 9.370 -29.900 1.00 0.00 N ATOM 0 H ASN A 97 -3.390 12.682 -27.525 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.427 10.824 -26.473 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.109 9.585 -28.488 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.212 11.268 -28.969 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.182 9.239 -30.388 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.816 8.686 -30.009 1.00 0.00 H new ATOM 1480 N GLY A 98 -2.152 10.432 -26.498 1.00 0.00 N ATOM 1481 CA GLY A 98 -1.075 9.682 -25.879 1.00 0.00 C ATOM 1482 C GLY A 98 0.242 9.844 -26.613 1.00 0.00 C ATOM 1483 O GLY A 98 1.297 9.967 -25.990 1.00 0.00 O ATOM 0 H GLY A 98 -1.850 11.196 -27.102 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.955 10.010 -24.847 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.343 8.626 -25.849 1.00 0.00 H new ATOM 1487 N TYR A 99 0.181 9.844 -27.940 1.00 0.00 N ATOM 1488 CA TYR A 99 1.379 9.989 -28.759 1.00 0.00 C ATOM 1489 C TYR A 99 1.511 11.416 -29.283 1.00 0.00 C ATOM 1490 O TYR A 99 0.523 12.142 -29.394 1.00 0.00 O ATOM 1491 CB TYR A 99 1.342 9.006 -29.930 1.00 0.00 C ATOM 1492 CG TYR A 99 1.362 7.555 -29.504 1.00 0.00 C ATOM 1493 CD1 TYR A 99 0.206 6.924 -29.063 1.00 0.00 C ATOM 1494 CD2 TYR A 99 2.538 6.816 -29.543 1.00 0.00 C ATOM 1495 CE1 TYR A 99 0.220 5.599 -28.672 1.00 0.00 C ATOM 1496 CE2 TYR A 99 2.561 5.490 -29.155 1.00 0.00 C ATOM 1497 CZ TYR A 99 1.400 4.886 -28.720 1.00 0.00 C ATOM 1498 OH TYR A 99 1.417 3.566 -28.332 1.00 0.00 O ATOM 0 H TYR A 99 -0.684 9.745 -28.471 1.00 0.00 H new ATOM 0 HA TYR A 99 2.245 9.769 -28.135 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.444 9.190 -30.520 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.196 9.197 -30.581 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.720 7.479 -29.025 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.449 7.286 -29.882 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -0.688 5.124 -28.331 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.483 4.929 -29.192 1.00 0.00 H new ATOM 0 HH TYR A 99 2.325 3.209 -28.427 1.00 0.00 H new ATOM 1508 N ILE A 100 2.739 11.810 -29.603 1.00 0.00 N ATOM 1509 CA ILE A 100 3.002 13.148 -30.116 1.00 0.00 C ATOM 1510 C ILE A 100 3.580 13.093 -31.526 1.00 0.00 C ATOM 1511 O ILE A 100 4.771 12.842 -31.711 1.00 0.00 O ATOM 1512 CB ILE A 100 3.975 13.920 -29.205 1.00 0.00 C ATOM 1513 CG1 ILE A 100 3.421 13.998 -27.781 1.00 0.00 C ATOM 1514 CG2 ILE A 100 4.227 15.314 -29.758 1.00 0.00 C ATOM 1515 CD1 ILE A 100 4.465 14.352 -26.745 1.00 0.00 C ATOM 0 H ILE A 100 3.567 11.221 -29.516 1.00 0.00 H new ATOM 0 HA ILE A 100 2.045 13.670 -30.138 1.00 0.00 H new ATOM 0 HB ILE A 100 4.924 13.385 -29.177 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.624 14.741 -27.750 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.973 13.039 -27.521 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.916 15.846 -29.103 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.661 15.237 -30.755 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.285 15.859 -29.813 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.001 14.390 -25.759 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.251 13.597 -26.748 1.00 0.00 H new ATOM 0 HD13 ILE A 100 4.896 15.325 -26.981 1.00 0.00 H new ATOM 1527 N SER A 101 2.728 13.330 -32.518 1.00 0.00 N ATOM 1528 CA SER A 101 3.153 13.306 -33.913 1.00 0.00 C ATOM 1529 C SER A 101 4.069 14.486 -34.223 1.00 0.00 C ATOM 1530 O SER A 101 4.296 15.349 -33.376 1.00 0.00 O ATOM 1531 CB SER A 101 1.936 13.332 -34.840 1.00 0.00 C ATOM 1532 OG SER A 101 1.218 14.546 -34.703 1.00 0.00 O ATOM 0 H SER A 101 1.739 13.541 -32.382 1.00 0.00 H new ATOM 0 HA SER A 101 3.709 12.384 -34.081 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.260 13.212 -35.874 1.00 0.00 H new ATOM 0 HB3 SER A 101 1.282 12.491 -34.611 1.00 0.00 H new ATOM 0 HG SER A 101 0.446 14.539 -35.307 1.00 0.00 H new ATOM 1538 N ALA A 102 4.592 14.516 -35.444 1.00 0.00 N ATOM 1539 CA ALA A 102 5.482 15.590 -35.868 1.00 0.00 C ATOM 1540 C ALA A 102 4.737 16.918 -35.952 1.00 0.00 C ATOM 1541 O ALA A 102 5.221 17.944 -35.474 1.00 0.00 O ATOM 1542 CB ALA A 102 6.115 15.253 -37.210 1.00 0.00 C ATOM 0 H ALA A 102 4.415 13.809 -36.157 1.00 0.00 H new ATOM 0 HA ALA A 102 6.270 15.691 -35.122 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.777 16.064 -37.514 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.689 14.331 -37.120 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.333 15.123 -37.959 1.00 0.00 H new ATOM 1548 N ALA A 103 3.557 16.892 -36.563 1.00 0.00 N ATOM 1549 CA ALA A 103 2.745 18.094 -36.708 1.00 0.00 C ATOM 1550 C ALA A 103 2.312 18.632 -35.349 1.00 0.00 C ATOM 1551 O ALA A 103 2.485 19.814 -35.056 1.00 0.00 O ATOM 1552 CB ALA A 103 1.529 17.807 -37.576 1.00 0.00 C ATOM 0 H ALA A 103 3.142 16.052 -36.966 1.00 0.00 H new ATOM 0 HA ALA A 103 3.353 18.857 -37.194 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.931 18.713 -37.676 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.856 17.477 -38.562 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.928 17.025 -37.113 1.00 0.00 H new ATOM 1558 N GLU A 104 1.748 17.755 -34.523 1.00 0.00 N ATOM 1559 CA GLU A 104 1.289 18.144 -33.195 1.00 0.00 C ATOM 1560 C GLU A 104 2.353 18.965 -32.470 1.00 0.00 C ATOM 1561 O GLU A 104 2.120 20.117 -32.102 1.00 0.00 O ATOM 1562 CB GLU A 104 0.936 16.905 -32.370 1.00 0.00 C ATOM 1563 CG GLU A 104 -0.471 16.388 -32.621 1.00 0.00 C ATOM 1564 CD GLU A 104 -0.780 15.132 -31.829 1.00 0.00 C ATOM 1565 OE1 GLU A 104 -0.572 15.141 -30.598 1.00 0.00 O ATOM 1566 OE2 GLU A 104 -1.229 14.140 -32.441 1.00 0.00 O ATOM 0 H GLU A 104 1.598 16.772 -34.750 1.00 0.00 H new ATOM 0 HA GLU A 104 0.397 18.760 -33.313 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.651 16.113 -32.595 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.044 17.141 -31.311 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.191 17.164 -32.361 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.594 16.182 -33.684 1.00 0.00 H new ATOM 1573 N LEU A 105 3.520 18.363 -32.269 1.00 0.00 N ATOM 1574 CA LEU A 105 4.620 19.037 -31.588 1.00 0.00 C ATOM 1575 C LEU A 105 5.098 20.244 -32.388 1.00 0.00 C ATOM 1576 O LEU A 105 5.232 21.344 -31.850 1.00 0.00 O ATOM 1577 CB LEU A 105 5.781 18.065 -31.368 1.00 0.00 C ATOM 1578 CG LEU A 105 7.065 18.670 -30.800 1.00 0.00 C ATOM 1579 CD1 LEU A 105 7.810 17.647 -29.957 1.00 0.00 C ATOM 1580 CD2 LEU A 105 7.952 19.189 -31.922 1.00 0.00 C ATOM 0 H LEU A 105 3.729 17.410 -32.568 1.00 0.00 H new ATOM 0 HA LEU A 105 4.257 19.386 -30.621 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.446 17.277 -30.694 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.017 17.591 -32.321 1.00 0.00 H new ATOM 0 HG LEU A 105 6.796 19.510 -30.160 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.721 18.096 -29.561 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.176 17.325 -29.131 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.068 16.786 -30.574 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.861 19.616 -31.499 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.213 18.367 -32.589 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.418 19.956 -32.483 1.00 0.00 H new ATOM 1592 N ARG A 106 5.351 20.033 -33.675 1.00 0.00 N ATOM 1593 CA ARG A 106 5.812 21.104 -34.550 1.00 0.00 C ATOM 1594 C ARG A 106 5.132 22.424 -34.198 1.00 0.00 C ATOM 1595 O ARG A 106 5.786 23.461 -34.084 1.00 0.00 O ATOM 1596 CB ARG A 106 5.539 20.751 -36.013 1.00 0.00 C ATOM 1597 CG ARG A 106 6.006 21.814 -36.993 1.00 0.00 C ATOM 1598 CD ARG A 106 5.421 21.589 -38.379 1.00 0.00 C ATOM 1599 NE ARG A 106 5.922 22.559 -39.349 1.00 0.00 N ATOM 1600 CZ ARG A 106 5.391 23.765 -39.524 1.00 0.00 C ATOM 1601 NH1 ARG A 106 4.349 24.145 -38.798 1.00 0.00 N ATOM 1602 NH2 ARG A 106 5.903 24.592 -40.426 1.00 0.00 N ATOM 0 H ARG A 106 5.244 19.129 -34.136 1.00 0.00 H new ATOM 0 HA ARG A 106 6.886 21.219 -34.406 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.034 19.809 -36.249 1.00 0.00 H new ATOM 0 HB3 ARG A 106 4.469 20.591 -36.146 1.00 0.00 H new ATOM 0 HG2 ARG A 106 5.714 22.799 -36.629 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.094 21.805 -37.050 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.664 20.581 -38.716 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.334 21.655 -38.329 1.00 0.00 H new ATOM 0 HE ARG A 106 6.723 22.297 -39.923 1.00 0.00 H new ATOM 0 HH11 ARG A 106 3.953 23.512 -38.103 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.943 25.071 -38.934 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.705 24.303 -40.986 1.00 0.00 H new ATOM 0 HH22 ARG A 106 5.495 25.517 -40.560 1.00 0.00 H new ATOM 1616 N HIS A 107 3.814 22.377 -34.028 1.00 0.00 N ATOM 1617 CA HIS A 107 3.044 23.569 -33.689 1.00 0.00 C ATOM 1618 C HIS A 107 3.549 24.191 -32.391 1.00 0.00 C ATOM 1619 O HIS A 107 3.841 25.386 -32.335 1.00 0.00 O ATOM 1620 CB HIS A 107 1.561 23.224 -33.560 1.00 0.00 C ATOM 1621 CG HIS A 107 0.715 24.375 -33.107 1.00 0.00 C ATOM 1622 ND1 HIS A 107 0.653 25.012 -31.915 1.00 0.00 N flip ATOM 1623 CD2 HIS A 107 -0.204 25.000 -33.923 1.00 0.00 C flip ATOM 1624 CE1 HIS A 107 -0.293 26.001 -32.031 1.00 0.00 C flip ATOM 1625 NE2 HIS A 107 -0.794 25.973 -33.253 1.00 0.00 N flip ATOM 0 H HIS A 107 3.257 21.527 -34.119 1.00 0.00 H new ATOM 0 HA HIS A 107 3.172 24.295 -34.492 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.193 22.871 -34.523 1.00 0.00 H new ATOM 0 HB3 HIS A 107 1.448 22.401 -32.854 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -0.409 24.735 -34.950 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.580 26.690 -31.250 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -1.514 26.597 -33.617 1.00 0.00 H new ATOM 1634 N VAL A 108 3.649 23.373 -31.348 1.00 0.00 N ATOM 1635 CA VAL A 108 4.118 23.842 -30.050 1.00 0.00 C ATOM 1636 C VAL A 108 5.404 24.650 -30.190 1.00 0.00 C ATOM 1637 O VAL A 108 5.483 25.792 -29.739 1.00 0.00 O ATOM 1638 CB VAL A 108 4.365 22.668 -29.084 1.00 0.00 C ATOM 1639 CG1 VAL A 108 4.920 23.173 -27.760 1.00 0.00 C ATOM 1640 CG2 VAL A 108 3.083 21.878 -28.868 1.00 0.00 C ATOM 0 H VAL A 108 3.411 22.382 -31.377 1.00 0.00 H new ATOM 0 HA VAL A 108 3.334 24.479 -29.642 1.00 0.00 H new ATOM 0 HB VAL A 108 5.104 22.002 -29.530 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.088 22.329 -27.090 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.863 23.691 -27.935 1.00 0.00 H new ATOM 0 HG13 VAL A 108 4.207 23.861 -27.305 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.275 21.052 -28.183 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.320 22.531 -28.444 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.733 21.484 -29.822 1.00 0.00 H new ATOM 1650 N MET A 109 6.409 24.048 -30.817 1.00 0.00 N ATOM 1651 CA MET A 109 7.691 24.712 -31.018 1.00 0.00 C ATOM 1652 C MET A 109 7.491 26.173 -31.410 1.00 0.00 C ATOM 1653 O MET A 109 8.067 27.075 -30.799 1.00 0.00 O ATOM 1654 CB MET A 109 8.501 23.990 -32.097 1.00 0.00 C ATOM 1655 CG MET A 109 9.078 22.661 -31.635 1.00 0.00 C ATOM 1656 SD MET A 109 10.312 22.855 -30.334 1.00 0.00 S ATOM 1657 CE MET A 109 9.390 22.290 -28.906 1.00 0.00 C ATOM 0 H MET A 109 6.360 23.102 -31.195 1.00 0.00 H new ATOM 0 HA MET A 109 8.240 24.678 -30.077 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.864 23.818 -32.965 1.00 0.00 H new ATOM 0 HB3 MET A 109 9.315 24.637 -32.423 1.00 0.00 H new ATOM 0 HG2 MET A 109 8.270 22.025 -31.273 1.00 0.00 H new ATOM 0 HG3 MET A 109 9.529 22.150 -32.485 1.00 0.00 H new ATOM 0 HE1 MET A 109 9.934 22.546 -27.997 1.00 0.00 H new ATOM 0 HE2 MET A 109 8.412 22.771 -28.891 1.00 0.00 H new ATOM 0 HE3 MET A 109 9.262 21.209 -28.960 1.00 0.00 H new ATOM 1667 N THR A 110 6.672 26.401 -32.432 1.00 0.00 N ATOM 1668 CA THR A 110 6.398 27.751 -32.906 1.00 0.00 C ATOM 1669 C THR A 110 6.186 28.710 -31.740 1.00 0.00 C ATOM 1670 O THR A 110 6.895 29.706 -31.605 1.00 0.00 O ATOM 1671 CB THR A 110 5.157 27.786 -33.817 1.00 0.00 C ATOM 1672 OG1 THR A 110 5.348 26.917 -34.939 1.00 0.00 O ATOM 1673 CG2 THR A 110 4.883 29.200 -34.305 1.00 0.00 C ATOM 0 H THR A 110 6.187 25.667 -32.948 1.00 0.00 H new ATOM 0 HA THR A 110 7.269 28.067 -33.480 1.00 0.00 H new ATOM 0 HB THR A 110 4.299 27.447 -33.237 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.554 26.944 -35.512 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.002 29.199 -34.947 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.708 29.853 -33.450 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.742 29.563 -34.869 1.00 0.00 H new ATOM 1681 N ASN A 111 5.204 28.403 -30.898 1.00 0.00 N ATOM 1682 CA ASN A 111 4.898 29.238 -29.743 1.00 0.00 C ATOM 1683 C ASN A 111 6.176 29.786 -29.114 1.00 0.00 C ATOM 1684 O ASN A 111 6.277 30.979 -28.827 1.00 0.00 O ATOM 1685 CB ASN A 111 4.107 28.439 -28.704 1.00 0.00 C ATOM 1686 CG ASN A 111 2.642 28.305 -29.071 1.00 0.00 C ATOM 1687 OD1 ASN A 111 2.244 27.109 -29.490 1.00 0.00 O flip ATOM 1688 ND2 ASN A 111 1.877 29.265 -28.979 1.00 0.00 N flip ATOM 0 H ASN A 111 4.607 27.582 -30.995 1.00 0.00 H new ATOM 0 HA ASN A 111 4.292 30.078 -30.084 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.546 27.446 -28.602 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.192 28.926 -27.733 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.226 30.166 -28.652 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.894 29.160 -29.230 1.00 0.00 H new ATOM 1695 N LEU A 112 7.149 28.906 -28.903 1.00 0.00 N ATOM 1696 CA LEU A 112 8.421 29.301 -28.309 1.00 0.00 C ATOM 1697 C LEU A 112 8.922 30.609 -28.913 1.00 0.00 C ATOM 1698 O LEU A 112 9.343 31.515 -28.195 1.00 0.00 O ATOM 1699 CB LEU A 112 9.464 28.200 -28.512 1.00 0.00 C ATOM 1700 CG LEU A 112 9.123 26.835 -27.915 1.00 0.00 C ATOM 1701 CD1 LEU A 112 10.151 25.796 -28.338 1.00 0.00 C ATOM 1702 CD2 LEU A 112 9.043 26.921 -26.397 1.00 0.00 C ATOM 0 H LEU A 112 7.081 27.915 -29.134 1.00 0.00 H new ATOM 0 HA LEU A 112 8.264 29.453 -27.241 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.628 28.075 -29.582 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.407 28.537 -28.082 1.00 0.00 H new ATOM 0 HG LEU A 112 8.148 26.528 -28.293 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.892 24.830 -27.904 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.160 25.714 -29.425 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.138 26.098 -27.989 1.00 0.00 H new ATOM 0 HD21 LEU A 112 8.799 25.940 -25.989 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.003 27.251 -26.000 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.269 27.634 -26.113 1.00 0.00 H new ATOM 1714 N GLY A 113 8.870 30.701 -30.238 1.00 0.00 N ATOM 1715 CA GLY A 113 9.319 31.903 -30.916 1.00 0.00 C ATOM 1716 C GLY A 113 10.251 31.602 -32.073 1.00 0.00 C ATOM 1717 O GLY A 113 11.249 32.295 -32.270 1.00 0.00 O ATOM 0 H GLY A 113 8.525 29.965 -30.854 1.00 0.00 H new ATOM 0 HA2 GLY A 113 8.453 32.453 -31.284 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.828 32.550 -30.202 1.00 0.00 H new ATOM 1721 N GLU A 114 9.926 30.565 -32.839 1.00 0.00 N ATOM 1722 CA GLU A 114 10.744 30.173 -33.981 1.00 0.00 C ATOM 1723 C GLU A 114 9.892 29.511 -35.059 1.00 0.00 C ATOM 1724 O GLU A 114 8.844 28.933 -34.771 1.00 0.00 O ATOM 1725 CB GLU A 114 11.855 29.220 -33.537 1.00 0.00 C ATOM 1726 CG GLU A 114 12.768 29.803 -32.470 1.00 0.00 C ATOM 1727 CD GLU A 114 13.689 30.877 -33.015 1.00 0.00 C ATOM 1728 OE1 GLU A 114 13.317 31.528 -34.013 1.00 0.00 O ATOM 1729 OE2 GLU A 114 14.782 31.067 -32.441 1.00 0.00 O ATOM 0 H GLU A 114 9.103 29.982 -32.690 1.00 0.00 H new ATOM 0 HA GLU A 114 11.193 31.074 -34.400 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.405 28.303 -33.156 1.00 0.00 H new ATOM 0 HB3 GLU A 114 12.454 28.945 -34.405 1.00 0.00 H new ATOM 0 HG2 GLU A 114 12.161 30.223 -31.667 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.366 29.004 -32.033 1.00 0.00 H new ATOM 1736 N LYS A 115 10.348 29.601 -36.304 1.00 0.00 N ATOM 1737 CA LYS A 115 9.630 29.011 -37.427 1.00 0.00 C ATOM 1738 C LYS A 115 10.371 27.793 -37.968 1.00 0.00 C ATOM 1739 O LYS A 115 11.317 27.923 -38.746 1.00 0.00 O ATOM 1740 CB LYS A 115 9.446 30.045 -38.541 1.00 0.00 C ATOM 1741 CG LYS A 115 8.581 31.226 -38.137 1.00 0.00 C ATOM 1742 CD LYS A 115 9.389 32.285 -37.405 1.00 0.00 C ATOM 1743 CE LYS A 115 10.042 33.257 -38.376 1.00 0.00 C ATOM 1744 NZ LYS A 115 10.655 34.417 -37.671 1.00 0.00 N ATOM 0 H LYS A 115 11.213 30.078 -36.560 1.00 0.00 H new ATOM 0 HA LYS A 115 8.651 28.690 -37.071 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.425 30.411 -38.851 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.999 29.558 -39.408 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.125 31.664 -39.025 1.00 0.00 H new ATOM 0 HG3 LYS A 115 7.768 30.881 -37.498 1.00 0.00 H new ATOM 0 HD2 LYS A 115 8.739 32.832 -36.722 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.156 31.804 -36.798 1.00 0.00 H new ATOM 0 HE2 LYS A 115 10.807 32.736 -38.952 1.00 0.00 H new ATOM 0 HE3 LYS A 115 9.297 33.616 -39.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 11.089 35.056 -38.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.921 34.929 -37.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.383 34.077 -37.011 1.00 0.00 H new ATOM 1758 N LEU A 116 9.936 26.609 -37.551 1.00 0.00 N ATOM 1759 CA LEU A 116 10.558 25.366 -37.995 1.00 0.00 C ATOM 1760 C LEU A 116 9.757 24.731 -39.127 1.00 0.00 C ATOM 1761 O LEU A 116 8.617 25.116 -39.389 1.00 0.00 O ATOM 1762 CB LEU A 116 10.675 24.386 -36.826 1.00 0.00 C ATOM 1763 CG LEU A 116 11.448 24.886 -35.606 1.00 0.00 C ATOM 1764 CD1 LEU A 116 11.329 23.897 -34.456 1.00 0.00 C ATOM 1765 CD2 LEU A 116 12.909 25.123 -35.959 1.00 0.00 C ATOM 0 H LEU A 116 9.156 26.483 -36.906 1.00 0.00 H new ATOM 0 HA LEU A 116 11.556 25.600 -38.367 1.00 0.00 H new ATOM 0 HB2 LEU A 116 9.670 24.111 -36.507 1.00 0.00 H new ATOM 0 HB3 LEU A 116 11.155 23.476 -37.187 1.00 0.00 H new ATOM 0 HG LEU A 116 11.014 25.834 -35.289 1.00 0.00 H new ATOM 0 HD11 LEU A 116 11.886 24.270 -33.596 1.00 0.00 H new ATOM 0 HD12 LEU A 116 10.280 23.778 -34.185 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.736 22.933 -34.761 1.00 0.00 H new ATOM 0 HD21 LEU A 116 13.443 25.479 -35.078 1.00 0.00 H new ATOM 0 HD22 LEU A 116 13.356 24.190 -36.303 1.00 0.00 H new ATOM 0 HD23 LEU A 116 12.976 25.870 -36.750 1.00 0.00 H new ATOM 1777 N THR A 117 10.361 23.754 -39.797 1.00 0.00 N ATOM 1778 CA THR A 117 9.705 23.064 -40.900 1.00 0.00 C ATOM 1779 C THR A 117 9.759 21.552 -40.714 1.00 0.00 C ATOM 1780 O THR A 117 10.585 21.039 -39.958 1.00 0.00 O ATOM 1781 CB THR A 117 10.350 23.426 -42.252 1.00 0.00 C ATOM 1782 OG1 THR A 117 11.768 23.236 -42.185 1.00 0.00 O ATOM 1783 CG2 THR A 117 10.044 24.868 -42.628 1.00 0.00 C ATOM 0 H THR A 117 11.304 23.423 -39.594 1.00 0.00 H new ATOM 0 HA THR A 117 8.665 23.390 -40.902 1.00 0.00 H new ATOM 0 HB THR A 117 9.932 22.771 -43.016 1.00 0.00 H new ATOM 0 HG1 THR A 117 12.170 23.467 -43.048 1.00 0.00 H new ATOM 0 HG21 THR A 117 10.509 25.101 -43.586 1.00 0.00 H new ATOM 0 HG22 THR A 117 8.965 25.002 -42.707 1.00 0.00 H new ATOM 0 HG23 THR A 117 10.438 25.535 -41.861 1.00 0.00 H new ATOM 1791 N ASP A 118 8.875 20.844 -41.407 1.00 0.00 N ATOM 1792 CA ASP A 118 8.822 19.389 -41.318 1.00 0.00 C ATOM 1793 C ASP A 118 10.226 18.800 -41.210 1.00 0.00 C ATOM 1794 O ASP A 118 10.462 17.876 -40.432 1.00 0.00 O ATOM 1795 CB ASP A 118 8.105 18.808 -42.538 1.00 0.00 C ATOM 1796 CG ASP A 118 7.435 17.481 -42.238 1.00 0.00 C ATOM 1797 OD1 ASP A 118 6.949 17.306 -41.102 1.00 0.00 O ATOM 1798 OD2 ASP A 118 7.398 16.618 -43.140 1.00 0.00 O ATOM 0 H ASP A 118 8.185 21.253 -42.037 1.00 0.00 H new ATOM 0 HA ASP A 118 8.266 19.124 -40.419 1.00 0.00 H new ATOM 0 HB2 ASP A 118 7.357 19.519 -42.889 1.00 0.00 H new ATOM 0 HB3 ASP A 118 8.822 18.675 -43.348 1.00 0.00 H new ATOM 1803 N GLU A 119 11.151 19.342 -41.995 1.00 0.00 N ATOM 1804 CA GLU A 119 12.531 18.868 -41.987 1.00 0.00 C ATOM 1805 C GLU A 119 13.169 19.075 -40.617 1.00 0.00 C ATOM 1806 O GLU A 119 13.764 18.156 -40.054 1.00 0.00 O ATOM 1807 CB GLU A 119 13.348 19.594 -43.058 1.00 0.00 C ATOM 1808 CG GLU A 119 12.812 19.403 -44.467 1.00 0.00 C ATOM 1809 CD GLU A 119 13.263 18.096 -45.090 1.00 0.00 C ATOM 1810 OE1 GLU A 119 12.924 17.028 -44.538 1.00 0.00 O ATOM 1811 OE2 GLU A 119 13.955 18.140 -46.129 1.00 0.00 O ATOM 0 H GLU A 119 10.971 20.108 -42.644 1.00 0.00 H new ATOM 0 HA GLU A 119 12.524 17.800 -42.207 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.368 20.659 -42.827 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.378 19.240 -43.019 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.723 19.434 -44.445 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.142 20.232 -45.093 1.00 0.00 H new ATOM 1818 N GLU A 120 13.042 20.288 -40.088 1.00 0.00 N ATOM 1819 CA GLU A 120 13.608 20.615 -38.785 1.00 0.00 C ATOM 1820 C GLU A 120 13.150 19.616 -37.726 1.00 0.00 C ATOM 1821 O GLU A 120 13.968 19.008 -37.035 1.00 0.00 O ATOM 1822 CB GLU A 120 13.207 22.033 -38.371 1.00 0.00 C ATOM 1823 CG GLU A 120 13.678 23.105 -39.338 1.00 0.00 C ATOM 1824 CD GLU A 120 15.174 23.344 -39.260 1.00 0.00 C ATOM 1825 OE1 GLU A 120 15.619 24.011 -38.302 1.00 0.00 O ATOM 1826 OE2 GLU A 120 15.899 22.864 -40.156 1.00 0.00 O ATOM 0 H GLU A 120 12.553 21.060 -40.541 1.00 0.00 H new ATOM 0 HA GLU A 120 14.694 20.561 -38.866 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.122 22.084 -38.285 1.00 0.00 H new ATOM 0 HB3 GLU A 120 13.615 22.243 -37.382 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.413 22.814 -40.354 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.153 24.037 -39.126 1.00 0.00 H new ATOM 1833 N VAL A 121 11.837 19.451 -37.605 1.00 0.00 N ATOM 1834 CA VAL A 121 11.269 18.526 -36.632 1.00 0.00 C ATOM 1835 C VAL A 121 11.632 17.084 -36.968 1.00 0.00 C ATOM 1836 O VAL A 121 11.957 16.292 -36.083 1.00 0.00 O ATOM 1837 CB VAL A 121 9.736 18.655 -36.563 1.00 0.00 C ATOM 1838 CG1 VAL A 121 9.159 17.653 -35.574 1.00 0.00 C ATOM 1839 CG2 VAL A 121 9.337 20.075 -36.190 1.00 0.00 C ATOM 0 H VAL A 121 11.146 19.946 -38.169 1.00 0.00 H new ATOM 0 HA VAL A 121 11.692 18.788 -35.662 1.00 0.00 H new ATOM 0 HB VAL A 121 9.326 18.434 -37.548 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.075 17.759 -35.539 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.414 16.642 -35.890 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.574 17.839 -34.583 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.250 20.148 -36.146 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.757 20.327 -35.217 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.717 20.769 -36.940 1.00 0.00 H new ATOM 1849 N ASP A 122 11.575 16.749 -38.252 1.00 0.00 N ATOM 1850 CA ASP A 122 11.900 15.402 -38.707 1.00 0.00 C ATOM 1851 C ASP A 122 13.204 14.917 -38.082 1.00 0.00 C ATOM 1852 O ASP A 122 13.292 13.786 -37.606 1.00 0.00 O ATOM 1853 CB ASP A 122 12.006 15.367 -40.232 1.00 0.00 C ATOM 1854 CG ASP A 122 10.649 15.318 -40.906 1.00 0.00 C ATOM 1855 OD1 ASP A 122 9.672 14.912 -40.243 1.00 0.00 O ATOM 1856 OD2 ASP A 122 10.564 15.686 -42.097 1.00 0.00 O ATOM 0 H ASP A 122 11.307 17.392 -38.997 1.00 0.00 H new ATOM 0 HA ASP A 122 11.097 14.735 -38.392 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.548 16.248 -40.576 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.589 14.497 -40.533 1.00 0.00 H new ATOM 1861 N GLU A 123 14.215 15.781 -38.089 1.00 0.00 N ATOM 1862 CA GLU A 123 15.515 15.440 -37.524 1.00 0.00 C ATOM 1863 C GLU A 123 15.391 15.089 -36.044 1.00 0.00 C ATOM 1864 O GLU A 123 16.141 14.263 -35.526 1.00 0.00 O ATOM 1865 CB GLU A 123 16.495 16.601 -37.704 1.00 0.00 C ATOM 1866 CG GLU A 123 16.868 16.863 -39.154 1.00 0.00 C ATOM 1867 CD GLU A 123 17.997 17.866 -39.293 1.00 0.00 C ATOM 1868 OE1 GLU A 123 19.155 17.501 -39.006 1.00 0.00 O ATOM 1869 OE2 GLU A 123 17.720 19.018 -39.690 1.00 0.00 O ATOM 0 H GLU A 123 14.158 16.722 -38.480 1.00 0.00 H new ATOM 0 HA GLU A 123 15.895 14.568 -38.055 1.00 0.00 H new ATOM 0 HB2 GLU A 123 16.056 17.505 -37.281 1.00 0.00 H new ATOM 0 HB3 GLU A 123 17.402 16.392 -37.136 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.160 15.925 -39.625 1.00 0.00 H new ATOM 0 HG3 GLU A 123 15.993 17.230 -39.690 1.00 0.00 H new ATOM 1876 N MET A 124 14.438 15.725 -35.370 1.00 0.00 N ATOM 1877 CA MET A 124 14.215 15.480 -33.950 1.00 0.00 C ATOM 1878 C MET A 124 13.449 14.178 -33.736 1.00 0.00 C ATOM 1879 O MET A 124 13.848 13.338 -32.930 1.00 0.00 O ATOM 1880 CB MET A 124 13.446 16.646 -33.324 1.00 0.00 C ATOM 1881 CG MET A 124 12.998 16.382 -31.896 1.00 0.00 C ATOM 1882 SD MET A 124 12.914 17.886 -30.905 1.00 0.00 S ATOM 1883 CE MET A 124 11.707 17.411 -29.670 1.00 0.00 C ATOM 0 H MET A 124 13.809 16.413 -35.784 1.00 0.00 H new ATOM 0 HA MET A 124 15.187 15.393 -33.465 1.00 0.00 H new ATOM 0 HB2 MET A 124 14.075 17.536 -33.340 1.00 0.00 H new ATOM 0 HB3 MET A 124 12.571 16.864 -33.936 1.00 0.00 H new ATOM 0 HG2 MET A 124 12.018 15.905 -31.909 1.00 0.00 H new ATOM 0 HG3 MET A 124 13.688 15.680 -31.427 1.00 0.00 H new ATOM 0 HE1 MET A 124 12.055 17.719 -28.684 1.00 0.00 H new ATOM 0 HE2 MET A 124 10.755 17.896 -29.886 1.00 0.00 H new ATOM 0 HE3 MET A 124 11.575 16.329 -29.687 1.00 0.00 H new ATOM 1893 N ILE A 125 12.348 14.019 -34.462 1.00 0.00 N ATOM 1894 CA ILE A 125 11.527 12.819 -34.352 1.00 0.00 C ATOM 1895 C ILE A 125 12.367 11.560 -34.539 1.00 0.00 C ATOM 1896 O ILE A 125 12.093 10.523 -33.934 1.00 0.00 O ATOM 1897 CB ILE A 125 10.387 12.820 -35.387 1.00 0.00 C ATOM 1898 CG1 ILE A 125 9.435 13.990 -35.128 1.00 0.00 C ATOM 1899 CG2 ILE A 125 9.634 11.498 -35.346 1.00 0.00 C ATOM 1900 CD1 ILE A 125 8.521 13.774 -33.942 1.00 0.00 C ATOM 0 H ILE A 125 12.003 14.706 -35.133 1.00 0.00 H new ATOM 0 HA ILE A 125 11.097 12.821 -33.350 1.00 0.00 H new ATOM 0 HB ILE A 125 10.818 12.940 -36.381 1.00 0.00 H new ATOM 0 HG12 ILE A 125 10.020 14.895 -34.965 1.00 0.00 H new ATOM 0 HG13 ILE A 125 8.829 14.158 -36.018 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.831 11.514 -36.083 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.320 10.682 -35.573 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.211 11.351 -34.352 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.874 14.643 -33.818 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.909 12.888 -34.111 1.00 0.00 H new ATOM 0 HD13 ILE A 125 9.120 13.636 -33.042 1.00 0.00 H new ATOM 1912 N ARG A 126 13.392 11.658 -35.378 1.00 0.00 N ATOM 1913 CA ARG A 126 14.273 10.528 -35.644 1.00 0.00 C ATOM 1914 C ARG A 126 15.296 10.360 -34.524 1.00 0.00 C ATOM 1915 O ARG A 126 16.292 9.654 -34.681 1.00 0.00 O ATOM 1916 CB ARG A 126 14.992 10.717 -36.981 1.00 0.00 C ATOM 1917 CG ARG A 126 16.103 11.753 -36.934 1.00 0.00 C ATOM 1918 CD ARG A 126 17.107 11.545 -38.058 1.00 0.00 C ATOM 1919 NE ARG A 126 18.070 10.493 -37.744 1.00 0.00 N ATOM 1920 CZ ARG A 126 18.728 9.799 -38.667 1.00 0.00 C ATOM 1921 NH1 ARG A 126 18.527 10.046 -39.954 1.00 0.00 N ATOM 1922 NH2 ARG A 126 19.588 8.858 -38.302 1.00 0.00 N ATOM 0 H ARG A 126 13.633 12.509 -35.886 1.00 0.00 H new ATOM 0 HA ARG A 126 13.661 9.627 -35.692 1.00 0.00 H new ATOM 0 HB2 ARG A 126 15.411 9.762 -37.297 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.264 11.011 -37.737 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.674 12.752 -37.008 1.00 0.00 H new ATOM 0 HG3 ARG A 126 16.614 11.697 -35.973 1.00 0.00 H new ATOM 0 HD2 ARG A 126 16.576 11.289 -38.975 1.00 0.00 H new ATOM 0 HD3 ARG A 126 17.638 12.478 -38.247 1.00 0.00 H new ATOM 0 HE ARG A 126 18.247 10.279 -36.763 1.00 0.00 H new ATOM 0 HH11 ARG A 126 17.866 10.770 -40.237 1.00 0.00 H new ATOM 0 HH12 ARG A 126 19.033 9.512 -40.661 1.00 0.00 H new ATOM 0 HH21 ARG A 126 19.745 8.666 -37.312 1.00 0.00 H new ATOM 0 HH22 ARG A 126 20.093 8.326 -39.011 1.00 0.00 H new ATOM 1936 N GLU A 127 15.043 11.015 -33.395 1.00 0.00 N ATOM 1937 CA GLU A 127 15.942 10.939 -32.250 1.00 0.00 C ATOM 1938 C GLU A 127 15.244 10.305 -31.051 1.00 0.00 C ATOM 1939 O GLU A 127 15.850 9.544 -30.297 1.00 0.00 O ATOM 1940 CB GLU A 127 16.452 12.334 -31.880 1.00 0.00 C ATOM 1941 CG GLU A 127 17.785 12.321 -31.152 1.00 0.00 C ATOM 1942 CD GLU A 127 18.007 13.569 -30.319 1.00 0.00 C ATOM 1943 OE1 GLU A 127 17.052 14.011 -29.646 1.00 0.00 O ATOM 1944 OE2 GLU A 127 19.135 14.103 -30.341 1.00 0.00 O ATOM 0 H GLU A 127 14.223 11.604 -33.249 1.00 0.00 H new ATOM 0 HA GLU A 127 16.790 10.312 -32.527 1.00 0.00 H new ATOM 0 HB2 GLU A 127 16.549 12.929 -32.788 1.00 0.00 H new ATOM 0 HB3 GLU A 127 15.710 12.829 -31.253 1.00 0.00 H new ATOM 0 HG2 GLU A 127 17.834 11.444 -30.506 1.00 0.00 H new ATOM 0 HG3 GLU A 127 18.591 12.226 -31.879 1.00 0.00 H new ATOM 1951 N ALA A 128 13.966 10.626 -30.880 1.00 0.00 N ATOM 1952 CA ALA A 128 13.184 10.088 -29.774 1.00 0.00 C ATOM 1953 C ALA A 128 12.231 8.999 -30.254 1.00 0.00 C ATOM 1954 O ALA A 128 11.960 8.037 -29.535 1.00 0.00 O ATOM 1955 CB ALA A 128 12.411 11.202 -29.083 1.00 0.00 C ATOM 0 H ALA A 128 13.450 11.256 -31.494 1.00 0.00 H new ATOM 0 HA ALA A 128 13.873 9.641 -29.058 1.00 0.00 H new ATOM 0 HB1 ALA A 128 11.831 10.786 -28.259 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.110 11.944 -28.697 1.00 0.00 H new ATOM 0 HB3 ALA A 128 11.738 11.675 -29.798 1.00 0.00 H new ATOM 1961 N ASP A 129 11.725 9.157 -31.472 1.00 0.00 N ATOM 1962 CA ASP A 129 10.802 8.186 -32.048 1.00 0.00 C ATOM 1963 C ASP A 129 11.357 6.770 -31.927 1.00 0.00 C ATOM 1964 O ASP A 129 12.022 6.274 -32.838 1.00 0.00 O ATOM 1965 CB ASP A 129 10.531 8.517 -33.516 1.00 0.00 C ATOM 1966 CG ASP A 129 9.503 7.593 -34.138 1.00 0.00 C ATOM 1967 OD1 ASP A 129 8.692 7.015 -33.384 1.00 0.00 O ATOM 1968 OD2 ASP A 129 9.510 7.446 -35.379 1.00 0.00 O ATOM 0 H ASP A 129 11.938 9.948 -32.080 1.00 0.00 H new ATOM 0 HA ASP A 129 9.865 8.238 -31.493 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.184 9.547 -33.595 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.462 8.450 -34.078 1.00 0.00 H new ATOM 1973 N ILE A 130 11.081 6.126 -30.798 1.00 0.00 N ATOM 1974 CA ILE A 130 11.553 4.768 -30.559 1.00 0.00 C ATOM 1975 C ILE A 130 10.824 3.768 -31.450 1.00 0.00 C ATOM 1976 O ILE A 130 11.433 3.119 -32.300 1.00 0.00 O ATOM 1977 CB ILE A 130 11.367 4.358 -29.087 1.00 0.00 C ATOM 1978 CG1 ILE A 130 12.070 5.357 -28.164 1.00 0.00 C ATOM 1979 CG2 ILE A 130 11.899 2.952 -28.857 1.00 0.00 C ATOM 1980 CD1 ILE A 130 13.521 5.590 -28.520 1.00 0.00 C ATOM 0 H ILE A 130 10.533 6.523 -30.035 1.00 0.00 H new ATOM 0 HA ILE A 130 12.616 4.757 -30.799 1.00 0.00 H new ATOM 0 HB ILE A 130 10.302 4.365 -28.855 1.00 0.00 H new ATOM 0 HG12 ILE A 130 11.538 6.308 -28.199 1.00 0.00 H new ATOM 0 HG13 ILE A 130 12.010 4.996 -27.137 1.00 0.00 H new ATOM 0 HG21 ILE A 130 11.760 2.677 -27.811 1.00 0.00 H new ATOM 0 HG22 ILE A 130 11.358 2.250 -29.492 1.00 0.00 H new ATOM 0 HG23 ILE A 130 12.960 2.920 -29.103 1.00 0.00 H new ATOM 0 HD11 ILE A 130 13.955 6.308 -27.825 1.00 0.00 H new ATOM 0 HD12 ILE A 130 14.067 4.649 -28.457 1.00 0.00 H new ATOM 0 HD13 ILE A 130 13.588 5.981 -29.535 1.00 0.00 H new ATOM 1992 N ASP A 131 9.516 3.650 -31.249 1.00 0.00 N ATOM 1993 CA ASP A 131 8.701 2.731 -32.036 1.00 0.00 C ATOM 1994 C ASP A 131 8.991 2.887 -33.525 1.00 0.00 C ATOM 1995 O ASP A 131 9.153 1.901 -34.243 1.00 0.00 O ATOM 1996 CB ASP A 131 7.216 2.972 -31.764 1.00 0.00 C ATOM 1997 CG ASP A 131 6.943 3.335 -30.318 1.00 0.00 C ATOM 1998 OD1 ASP A 131 7.198 2.489 -29.435 1.00 0.00 O ATOM 1999 OD2 ASP A 131 6.475 4.466 -30.068 1.00 0.00 O ATOM 0 H ASP A 131 8.997 4.179 -30.548 1.00 0.00 H new ATOM 0 HA ASP A 131 8.955 1.713 -31.740 1.00 0.00 H new ATOM 0 HB2 ASP A 131 6.857 3.773 -32.410 1.00 0.00 H new ATOM 0 HB3 ASP A 131 6.652 2.076 -32.023 1.00 0.00 H new ATOM 2004 N GLY A 132 9.053 4.133 -33.984 1.00 0.00 N ATOM 2005 CA GLY A 132 9.322 4.396 -35.385 1.00 0.00 C ATOM 2006 C GLY A 132 8.056 4.639 -36.183 1.00 0.00 C ATOM 2007 O GLY A 132 7.940 4.197 -37.326 1.00 0.00 O ATOM 0 H GLY A 132 8.922 4.966 -33.410 1.00 0.00 H new ATOM 0 HA2 GLY A 132 9.974 5.266 -35.470 1.00 0.00 H new ATOM 0 HA3 GLY A 132 9.861 3.551 -35.813 1.00 0.00 H new ATOM 2011 N ASP A 133 7.104 5.342 -35.579 1.00 0.00 N ATOM 2012 CA ASP A 133 5.840 5.643 -36.239 1.00 0.00 C ATOM 2013 C ASP A 133 5.652 7.149 -36.394 1.00 0.00 C ATOM 2014 O ASP A 133 4.529 7.636 -36.522 1.00 0.00 O ATOM 2015 CB ASP A 133 4.673 5.050 -35.449 1.00 0.00 C ATOM 2016 CG ASP A 133 4.860 5.186 -33.951 1.00 0.00 C ATOM 2017 OD1 ASP A 133 5.564 6.125 -33.524 1.00 0.00 O ATOM 2018 OD2 ASP A 133 4.303 4.353 -33.205 1.00 0.00 O ATOM 0 H ASP A 133 7.184 5.714 -34.633 1.00 0.00 H new ATOM 0 HA ASP A 133 5.862 5.194 -37.232 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.749 5.547 -35.743 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.563 3.996 -35.704 1.00 0.00 H new ATOM 2023 N GLY A 134 6.761 7.883 -36.379 1.00 0.00 N ATOM 2024 CA GLY A 134 6.697 9.327 -36.517 1.00 0.00 C ATOM 2025 C GLY A 134 5.967 9.987 -35.364 1.00 0.00 C ATOM 2026 O GLY A 134 5.394 11.065 -35.521 1.00 0.00 O ATOM 0 H GLY A 134 7.702 7.504 -36.274 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.709 9.728 -36.580 1.00 0.00 H new ATOM 0 HA3 GLY A 134 6.196 9.578 -37.452 1.00 0.00 H new ATOM 2030 N GLN A 135 5.988 9.339 -34.204 1.00 0.00 N ATOM 2031 CA GLN A 135 5.321 9.870 -33.021 1.00 0.00 C ATOM 2032 C GLN A 135 6.221 9.765 -31.795 1.00 0.00 C ATOM 2033 O GLN A 135 7.137 8.944 -31.753 1.00 0.00 O ATOM 2034 CB GLN A 135 4.009 9.124 -32.771 1.00 0.00 C ATOM 2035 CG GLN A 135 3.168 8.936 -34.023 1.00 0.00 C ATOM 2036 CD GLN A 135 1.682 8.892 -33.726 1.00 0.00 C ATOM 2037 OE1 GLN A 135 1.043 9.928 -33.542 1.00 0.00 O ATOM 2038 NE2 GLN A 135 1.123 7.688 -33.678 1.00 0.00 N ATOM 0 H GLN A 135 6.459 8.446 -34.058 1.00 0.00 H new ATOM 0 HA GLN A 135 5.104 10.923 -33.200 1.00 0.00 H new ATOM 0 HB2 GLN A 135 4.232 8.147 -32.343 1.00 0.00 H new ATOM 0 HB3 GLN A 135 3.425 9.670 -32.030 1.00 0.00 H new ATOM 0 HG2 GLN A 135 3.372 9.750 -34.719 1.00 0.00 H new ATOM 0 HG3 GLN A 135 3.463 8.011 -34.519 1.00 0.00 H new ATOM 0 HE21 GLN A 135 1.691 6.856 -33.837 1.00 0.00 H new ATOM 0 HE22 GLN A 135 0.126 7.596 -33.482 1.00 0.00 H new ATOM 2047 N VAL A 136 5.956 10.604 -30.798 1.00 0.00 N ATOM 2048 CA VAL A 136 6.742 10.605 -29.570 1.00 0.00 C ATOM 2049 C VAL A 136 5.842 10.673 -28.342 1.00 0.00 C ATOM 2050 O VAL A 136 5.554 11.754 -27.830 1.00 0.00 O ATOM 2051 CB VAL A 136 7.729 11.787 -29.536 1.00 0.00 C ATOM 2052 CG1 VAL A 136 8.492 11.808 -28.221 1.00 0.00 C ATOM 2053 CG2 VAL A 136 8.686 11.715 -30.716 1.00 0.00 C ATOM 0 H VAL A 136 5.203 11.292 -30.817 1.00 0.00 H new ATOM 0 HA VAL A 136 7.304 9.671 -29.553 1.00 0.00 H new ATOM 0 HB VAL A 136 7.161 12.714 -29.614 1.00 0.00 H new ATOM 0 HG11 VAL A 136 9.184 12.650 -28.215 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.789 11.911 -27.394 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.050 10.878 -28.109 1.00 0.00 H new ATOM 0 HG21 VAL A 136 9.376 12.558 -30.677 1.00 0.00 H new ATOM 0 HG22 VAL A 136 9.249 10.782 -30.672 1.00 0.00 H new ATOM 0 HG23 VAL A 136 8.120 11.753 -31.647 1.00 0.00 H new ATOM 2063 N ASN A 137 5.401 9.510 -27.873 1.00 0.00 N ATOM 2064 CA ASN A 137 4.533 9.437 -26.703 1.00 0.00 C ATOM 2065 C ASN A 137 5.291 9.829 -25.438 1.00 0.00 C ATOM 2066 O ASN A 137 6.453 10.231 -25.497 1.00 0.00 O ATOM 2067 CB ASN A 137 3.962 8.026 -26.553 1.00 0.00 C ATOM 2068 CG ASN A 137 4.923 7.085 -25.853 1.00 0.00 C ATOM 2069 OD1 ASN A 137 4.680 6.657 -24.724 1.00 0.00 O ATOM 2070 ND2 ASN A 137 6.023 6.757 -26.522 1.00 0.00 N ATOM 0 H ASN A 137 5.630 8.606 -28.285 1.00 0.00 H new ATOM 0 HA ASN A 137 3.712 10.140 -26.846 1.00 0.00 H new ATOM 0 HB2 ASN A 137 3.029 8.072 -25.991 1.00 0.00 H new ATOM 0 HB3 ASN A 137 3.721 7.628 -27.539 1.00 0.00 H new ATOM 0 HD21 ASN A 137 6.706 6.127 -26.102 1.00 0.00 H new ATOM 0 HD22 ASN A 137 6.184 7.135 -27.456 1.00 0.00 H new ATOM 2077 N TYR A 138 4.625 9.707 -24.295 1.00 0.00 N ATOM 2078 CA TYR A 138 5.235 10.050 -23.015 1.00 0.00 C ATOM 2079 C TYR A 138 6.605 9.394 -22.872 1.00 0.00 C ATOM 2080 O TYR A 138 7.594 10.060 -22.569 1.00 0.00 O ATOM 2081 CB TYR A 138 4.327 9.618 -21.862 1.00 0.00 C ATOM 2082 CG TYR A 138 4.908 9.900 -20.495 1.00 0.00 C ATOM 2083 CD1 TYR A 138 5.772 8.998 -19.886 1.00 0.00 C ATOM 2084 CD2 TYR A 138 4.595 11.069 -19.813 1.00 0.00 C ATOM 2085 CE1 TYR A 138 6.305 9.251 -18.637 1.00 0.00 C ATOM 2086 CE2 TYR A 138 5.125 11.332 -18.565 1.00 0.00 C ATOM 2087 CZ TYR A 138 5.978 10.419 -17.981 1.00 0.00 C ATOM 2088 OH TYR A 138 6.508 10.676 -16.737 1.00 0.00 O ATOM 0 H TYR A 138 3.663 9.373 -24.228 1.00 0.00 H new ATOM 0 HA TYR A 138 5.365 11.132 -22.981 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.369 10.131 -21.953 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.127 8.550 -21.949 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.031 8.083 -20.398 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.925 11.785 -20.267 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.974 8.538 -18.177 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.873 12.247 -18.050 1.00 0.00 H new ATOM 0 HH TYR A 138 6.179 11.540 -16.413 1.00 0.00 H new ATOM 2098 N GLU A 139 6.653 8.084 -23.092 1.00 0.00 N ATOM 2099 CA GLU A 139 7.901 7.338 -22.987 1.00 0.00 C ATOM 2100 C GLU A 139 8.969 7.932 -23.900 1.00 0.00 C ATOM 2101 O GLU A 139 9.971 8.470 -23.431 1.00 0.00 O ATOM 2102 CB GLU A 139 7.673 5.867 -23.341 1.00 0.00 C ATOM 2103 CG GLU A 139 8.894 4.991 -23.120 1.00 0.00 C ATOM 2104 CD GLU A 139 8.747 3.616 -23.744 1.00 0.00 C ATOM 2105 OE1 GLU A 139 8.919 3.501 -24.975 1.00 0.00 O ATOM 2106 OE2 GLU A 139 8.461 2.655 -22.999 1.00 0.00 O ATOM 0 H GLU A 139 5.843 7.518 -23.344 1.00 0.00 H new ATOM 0 HA GLU A 139 8.249 7.407 -21.957 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.847 5.482 -22.743 1.00 0.00 H new ATOM 0 HB3 GLU A 139 7.370 5.796 -24.386 1.00 0.00 H new ATOM 0 HG2 GLU A 139 9.771 5.484 -23.539 1.00 0.00 H new ATOM 0 HG3 GLU A 139 9.070 4.883 -22.050 1.00 0.00 H new ATOM 2113 N GLU A 140 8.746 7.831 -25.207 1.00 0.00 N ATOM 2114 CA GLU A 140 9.690 8.357 -26.185 1.00 0.00 C ATOM 2115 C GLU A 140 10.108 9.780 -25.827 1.00 0.00 C ATOM 2116 O GLU A 140 11.254 10.176 -26.042 1.00 0.00 O ATOM 2117 CB GLU A 140 9.074 8.332 -27.586 1.00 0.00 C ATOM 2118 CG GLU A 140 8.673 6.942 -28.050 1.00 0.00 C ATOM 2119 CD GLU A 140 7.798 6.970 -29.288 1.00 0.00 C ATOM 2120 OE1 GLU A 140 8.349 7.105 -30.400 1.00 0.00 O ATOM 2121 OE2 GLU A 140 6.562 6.857 -29.145 1.00 0.00 O ATOM 0 H GLU A 140 7.920 7.390 -25.612 1.00 0.00 H new ATOM 0 HA GLU A 140 10.576 7.723 -26.174 1.00 0.00 H new ATOM 0 HB2 GLU A 140 8.196 8.978 -27.599 1.00 0.00 H new ATOM 0 HB3 GLU A 140 9.788 8.751 -28.295 1.00 0.00 H new ATOM 0 HG2 GLU A 140 9.571 6.359 -28.257 1.00 0.00 H new ATOM 0 HG3 GLU A 140 8.142 6.434 -27.245 1.00 0.00 H new ATOM 2128 N PHE A 141 9.170 10.546 -25.280 1.00 0.00 N ATOM 2129 CA PHE A 141 9.439 11.926 -24.892 1.00 0.00 C ATOM 2130 C PHE A 141 10.317 11.980 -23.645 1.00 0.00 C ATOM 2131 O PHE A 141 11.216 12.814 -23.540 1.00 0.00 O ATOM 2132 CB PHE A 141 8.128 12.672 -24.639 1.00 0.00 C ATOM 2133 CG PHE A 141 8.261 13.802 -23.658 1.00 0.00 C ATOM 2134 CD1 PHE A 141 9.163 14.830 -23.883 1.00 0.00 C ATOM 2135 CD2 PHE A 141 7.483 13.837 -22.512 1.00 0.00 C ATOM 2136 CE1 PHE A 141 9.287 15.870 -22.981 1.00 0.00 C ATOM 2137 CE2 PHE A 141 7.603 14.874 -21.607 1.00 0.00 C ATOM 2138 CZ PHE A 141 8.506 15.893 -21.843 1.00 0.00 C ATOM 0 H PHE A 141 8.216 10.234 -25.095 1.00 0.00 H new ATOM 0 HA PHE A 141 9.972 12.409 -25.711 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.754 13.065 -25.585 1.00 0.00 H new ATOM 0 HB3 PHE A 141 7.383 11.967 -24.270 1.00 0.00 H new ATOM 0 HD1 PHE A 141 9.775 14.818 -24.772 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.774 13.044 -22.324 1.00 0.00 H new ATOM 0 HE1 PHE A 141 9.995 16.664 -23.167 1.00 0.00 H new ATOM 0 HE2 PHE A 141 6.992 14.888 -20.717 1.00 0.00 H new ATOM 0 HZ PHE A 141 8.601 16.706 -21.138 1.00 0.00 H new ATOM 2148 N VAL A 142 10.049 11.083 -22.701 1.00 0.00 N ATOM 2149 CA VAL A 142 10.814 11.027 -21.461 1.00 0.00 C ATOM 2150 C VAL A 142 12.274 10.683 -21.731 1.00 0.00 C ATOM 2151 O VAL A 142 13.180 11.307 -21.180 1.00 0.00 O ATOM 2152 CB VAL A 142 10.225 9.990 -20.486 1.00 0.00 C ATOM 2153 CG1 VAL A 142 11.094 9.873 -19.243 1.00 0.00 C ATOM 2154 CG2 VAL A 142 8.797 10.358 -20.115 1.00 0.00 C ATOM 0 H VAL A 142 9.308 10.385 -22.771 1.00 0.00 H new ATOM 0 HA VAL A 142 10.755 12.016 -21.007 1.00 0.00 H new ATOM 0 HB VAL A 142 10.208 9.019 -20.982 1.00 0.00 H new ATOM 0 HG11 VAL A 142 10.663 9.136 -18.566 1.00 0.00 H new ATOM 0 HG12 VAL A 142 12.098 9.559 -19.529 1.00 0.00 H new ATOM 0 HG13 VAL A 142 11.145 10.840 -18.742 1.00 0.00 H new ATOM 0 HG21 VAL A 142 8.397 9.614 -19.426 1.00 0.00 H new ATOM 0 HG22 VAL A 142 8.786 11.338 -19.638 1.00 0.00 H new ATOM 0 HG23 VAL A 142 8.183 10.386 -21.015 1.00 0.00 H new ATOM 2164 N GLN A 143 12.494 9.687 -22.583 1.00 0.00 N ATOM 2165 CA GLN A 143 13.845 9.260 -22.926 1.00 0.00 C ATOM 2166 C GLN A 143 14.671 10.433 -23.445 1.00 0.00 C ATOM 2167 O GLN A 143 15.821 10.618 -23.048 1.00 0.00 O ATOM 2168 CB GLN A 143 13.801 8.148 -23.976 1.00 0.00 C ATOM 2169 CG GLN A 143 12.958 6.953 -23.561 1.00 0.00 C ATOM 2170 CD GLN A 143 13.568 6.181 -22.408 1.00 0.00 C ATOM 2171 OE1 GLN A 143 14.047 6.767 -21.437 1.00 0.00 O ATOM 2172 NE2 GLN A 143 13.554 4.857 -22.509 1.00 0.00 N ATOM 0 H GLN A 143 11.754 9.161 -23.048 1.00 0.00 H new ATOM 0 HA GLN A 143 14.318 8.877 -22.022 1.00 0.00 H new ATOM 0 HB2 GLN A 143 13.407 8.554 -24.907 1.00 0.00 H new ATOM 0 HB3 GLN A 143 14.818 7.812 -24.180 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.963 7.296 -23.278 1.00 0.00 H new ATOM 0 HG3 GLN A 143 12.834 6.286 -24.415 1.00 0.00 H new ATOM 0 HE21 GLN A 143 13.147 4.413 -23.332 1.00 0.00 H new ATOM 0 HE22 GLN A 143 13.951 4.284 -21.764 1.00 0.00 H new ATOM 2181 N MET A 144 14.077 11.221 -24.335 1.00 0.00 N ATOM 2182 CA MET A 144 14.759 12.376 -24.907 1.00 0.00 C ATOM 2183 C MET A 144 15.197 13.345 -23.814 1.00 0.00 C ATOM 2184 O MET A 144 16.294 13.901 -23.868 1.00 0.00 O ATOM 2185 CB MET A 144 13.845 13.092 -25.903 1.00 0.00 C ATOM 2186 CG MET A 144 14.317 14.491 -26.265 1.00 0.00 C ATOM 2187 SD MET A 144 13.350 15.229 -27.595 1.00 0.00 S ATOM 2188 CE MET A 144 11.782 15.491 -26.770 1.00 0.00 C ATOM 0 H MET A 144 13.126 11.081 -24.675 1.00 0.00 H new ATOM 0 HA MET A 144 15.647 12.021 -25.430 1.00 0.00 H new ATOM 0 HB2 MET A 144 13.774 12.495 -26.812 1.00 0.00 H new ATOM 0 HB3 MET A 144 12.841 13.154 -25.483 1.00 0.00 H new ATOM 0 HG2 MET A 144 14.260 15.129 -25.383 1.00 0.00 H new ATOM 0 HG3 MET A 144 15.365 14.451 -26.562 1.00 0.00 H new ATOM 0 HE1 MET A 144 11.004 14.920 -27.277 1.00 0.00 H new ATOM 0 HE2 MET A 144 11.857 15.161 -25.734 1.00 0.00 H new ATOM 0 HE3 MET A 144 11.530 16.551 -26.796 1.00 0.00 H new ATOM 2198 N MET A 145 14.333 13.544 -22.824 1.00 0.00 N ATOM 2199 CA MET A 145 14.633 14.446 -21.718 1.00 0.00 C ATOM 2200 C MET A 145 15.933 14.046 -21.028 1.00 0.00 C ATOM 2201 O MET A 145 16.726 14.901 -20.630 1.00 0.00 O ATOM 2202 CB MET A 145 13.485 14.446 -20.707 1.00 0.00 C ATOM 2203 CG MET A 145 12.118 14.651 -21.339 1.00 0.00 C ATOM 2204 SD MET A 145 10.969 15.510 -20.248 1.00 0.00 S ATOM 2205 CE MET A 145 11.854 17.041 -19.961 1.00 0.00 C ATOM 0 H MET A 145 13.420 13.093 -22.765 1.00 0.00 H new ATOM 0 HA MET A 145 14.751 15.451 -22.123 1.00 0.00 H new ATOM 0 HB2 MET A 145 13.488 13.499 -20.166 1.00 0.00 H new ATOM 0 HB3 MET A 145 13.658 15.233 -19.973 1.00 0.00 H new ATOM 0 HG2 MET A 145 12.231 15.220 -22.262 1.00 0.00 H new ATOM 0 HG3 MET A 145 11.699 13.682 -21.611 1.00 0.00 H new ATOM 0 HE1 MET A 145 11.142 17.860 -19.860 1.00 0.00 H new ATOM 0 HE2 MET A 145 12.441 16.956 -19.046 1.00 0.00 H new ATOM 0 HE3 MET A 145 12.519 17.240 -20.801 1.00 0.00 H new ATOM 2215 N THR A 146 16.148 12.741 -20.889 1.00 0.00 N ATOM 2216 CA THR A 146 17.351 12.229 -20.246 1.00 0.00 C ATOM 2217 C THR A 146 18.512 12.155 -21.231 1.00 0.00 C ATOM 2218 O THR A 146 19.675 12.258 -20.843 1.00 0.00 O ATOM 2219 CB THR A 146 17.114 10.832 -19.643 1.00 0.00 C ATOM 2220 OG1 THR A 146 16.909 9.875 -20.688 1.00 0.00 O ATOM 2221 CG2 THR A 146 15.910 10.840 -18.713 1.00 0.00 C ATOM 0 H THR A 146 15.504 12.020 -21.214 1.00 0.00 H new ATOM 0 HA THR A 146 17.602 12.924 -19.445 1.00 0.00 H new ATOM 0 HB THR A 146 17.997 10.556 -19.066 1.00 0.00 H new ATOM 0 HG1 THR A 146 16.536 10.325 -21.475 1.00 0.00 H new ATOM 0 HG21 THR A 146 15.763 9.842 -18.300 1.00 0.00 H new ATOM 0 HG22 THR A 146 16.082 11.547 -17.902 1.00 0.00 H new ATOM 0 HG23 THR A 146 15.022 11.136 -19.271 1.00 0.00 H new