USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 943 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 105 ASN : amide:sc= -1.92! C(o=-7.5!,f=-7.9!) USER MOD Set 1.2: A 106 ASN : amide:sc= -5.62! C(o=-7.5!,f=-7.1!) USER MOD Set 2.1: A 15 GLN : amide:sc= 0 X(o=-0.33,f=-0.33) USER MOD Set 2.2: A 17 THR OG1 : rot 150:sc= -0.326 USER MOD Set 3.1: A 8 LYS NZ :NH3+ -161:sc= 0 (180deg=0) USER MOD Set 3.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 50 ASN : amide:sc= -4.69! C(o=-4.7!,f=-7.1!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.778 K(o=-0.78,f=-2!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.179 K(o=-0.18,f=-1) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 44 MET CE :methyl 172:sc= -1.98! (180deg=-2.31!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 177:sc= -3.31 (180deg=-3.45) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -12.8! C(o=-13!,f=-15!) USER MOD Single : A 53 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-1.1) USER MOD Single : A 57 SER OG : rot 180:sc= -0.809! USER MOD Single : A 60 ASN : amide:sc= 1.12 K(o=1.1,f=-0.56) USER MOD Single : A 61 MET CE :methyl 176:sc= 0 (180deg=-0.00494) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.092) USER MOD Single : A 76 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.27) USER MOD Single : A 79 THR OG1 : rot 150:sc= -1.74! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 83:sc= -0.801! USER MOD Single : A 90 GLN : amide:sc= -0.222 K(o=-0.22,f=-1.3!) USER MOD Single : A 97 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.0075) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.026 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 175:sc= 0 (180deg=-0.00413) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ILE A 7 -3.126 -9.445 -10.474 1.00 0.00 N ATOM 96 CA ILE A 7 -3.125 -8.072 -9.998 1.00 0.00 C ATOM 97 C ILE A 7 -4.210 -7.905 -8.932 1.00 0.00 C ATOM 98 O ILE A 7 -5.362 -8.277 -9.150 1.00 0.00 O ATOM 99 CB ILE A 7 -3.261 -7.098 -11.171 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.568 -7.646 -12.420 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.744 -5.709 -10.792 1.00 0.00 C ATOM 102 CD1 ILE A 7 -3.582 -8.282 -13.374 1.00 0.00 C ATOM 0 HA ILE A 7 -2.173 -7.834 -9.524 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.320 -6.994 -11.409 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.039 -6.841 -12.930 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.821 -8.386 -12.131 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.852 -5.036 -11.643 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.319 -5.324 -9.950 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.692 -5.776 -10.513 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.064 -8.664 -14.254 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.092 -9.102 -12.869 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.313 -7.534 -13.680 1.00 0.00 H new ATOM 114 N LYS A 8 -3.804 -7.346 -7.802 1.00 0.00 N ATOM 115 CA LYS A 8 -4.726 -7.125 -6.701 1.00 0.00 C ATOM 116 C LYS A 8 -4.241 -5.940 -5.864 1.00 0.00 C ATOM 117 O LYS A 8 -3.051 -5.825 -5.576 1.00 0.00 O ATOM 118 CB LYS A 8 -4.915 -8.412 -5.895 1.00 0.00 C ATOM 119 CG LYS A 8 -6.378 -8.863 -5.918 1.00 0.00 C ATOM 120 CD LYS A 8 -7.265 -7.888 -5.141 1.00 0.00 C ATOM 121 CE LYS A 8 -7.623 -8.451 -3.763 1.00 0.00 C ATOM 122 NZ LYS A 8 -9.030 -8.907 -3.741 1.00 0.00 N ATOM 0 H LYS A 8 -2.848 -7.039 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.715 -6.864 -7.078 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.282 -9.199 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.596 -8.251 -4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.725 -8.933 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.462 -9.860 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.749 -6.935 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.176 -7.691 -5.705 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.961 -9.282 -3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.470 -7.688 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.356 -8.981 -2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.624 -8.224 -4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.100 -9.838 -4.200 1.00 0.00 H new ATOM 136 N VAL A 9 -5.187 -5.089 -5.497 1.00 0.00 N ATOM 137 CA VAL A 9 -4.872 -3.917 -4.698 1.00 0.00 C ATOM 138 C VAL A 9 -5.768 -3.893 -3.458 1.00 0.00 C ATOM 139 O VAL A 9 -6.958 -4.188 -3.543 1.00 0.00 O ATOM 140 CB VAL A 9 -4.999 -2.653 -5.552 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.620 -2.104 -5.926 1.00 0.00 C ATOM 142 CG2 VAL A 9 -5.842 -2.917 -6.800 1.00 0.00 C ATOM 0 H VAL A 9 -6.173 -5.188 -5.738 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.839 -3.958 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.511 -1.896 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.738 -1.206 -6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.068 -1.859 -5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.071 -2.855 -6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.916 -2.003 -7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.371 -3.697 -7.399 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.840 -3.240 -6.503 1.00 0.00 H new ATOM 152 N LEU A 10 -5.160 -3.540 -2.336 1.00 0.00 N ATOM 153 CA LEU A 10 -5.887 -3.475 -1.079 1.00 0.00 C ATOM 154 C LEU A 10 -5.874 -2.034 -0.562 1.00 0.00 C ATOM 155 O LEU A 10 -4.810 -1.472 -0.310 1.00 0.00 O ATOM 156 CB LEU A 10 -5.328 -4.491 -0.083 1.00 0.00 C ATOM 157 CG LEU A 10 -5.252 -4.030 1.375 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.023 -3.151 1.609 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.546 -3.330 1.796 1.00 0.00 C ATOM 0 H LEU A 10 -4.172 -3.296 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.931 -3.752 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.943 -5.390 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.326 -4.774 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.142 -4.911 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.993 -2.837 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.121 -3.716 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.077 -2.272 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.466 -3.012 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.711 -2.459 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.384 -4.020 1.691 1.00 0.00 H new ATOM 171 N ILE A 11 -7.069 -1.480 -0.419 1.00 0.00 N ATOM 172 CA ILE A 11 -7.209 -0.116 0.064 1.00 0.00 C ATOM 173 C ILE A 11 -7.930 -0.129 1.414 1.00 0.00 C ATOM 174 O ILE A 11 -9.156 -0.061 1.466 1.00 0.00 O ATOM 175 CB ILE A 11 -7.891 0.758 -0.990 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.206 0.130 -1.455 1.00 0.00 C ATOM 177 CG2 ILE A 11 -6.947 1.044 -2.159 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.960 -0.903 -2.558 1.00 0.00 C ATOM 0 H ILE A 11 -7.949 -1.951 -0.629 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.229 0.332 0.230 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.136 1.717 -0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.705 -0.346 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.875 0.908 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.456 1.667 -2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.062 1.565 -1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.649 0.104 -2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.911 -1.335 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.483 -0.419 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.311 -1.692 -2.179 1.00 0.00 H new ATOM 190 N VAL A 12 -7.136 -0.217 2.471 1.00 0.00 N ATOM 191 CA VAL A 12 -7.684 -0.239 3.817 1.00 0.00 C ATOM 192 C VAL A 12 -7.033 0.871 4.646 1.00 0.00 C ATOM 193 O VAL A 12 -5.819 1.063 4.589 1.00 0.00 O ATOM 194 CB VAL A 12 -7.504 -1.628 4.432 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.064 -1.835 4.907 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.496 -1.855 5.574 1.00 0.00 C ATOM 0 H VAL A 12 -6.119 -0.274 2.423 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.756 -0.044 3.797 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.711 -2.366 3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.963 -2.830 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.384 -1.737 4.061 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.818 -1.085 5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.346 -2.850 5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.335 -1.106 6.350 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.514 -1.771 5.194 1.00 0.00 H new ATOM 206 N ASP A 13 -7.870 1.572 5.396 1.00 0.00 N ATOM 207 CA ASP A 13 -7.392 2.658 6.235 1.00 0.00 C ATOM 208 C ASP A 13 -8.260 2.746 7.492 1.00 0.00 C ATOM 209 O ASP A 13 -9.283 2.069 7.593 1.00 0.00 O ATOM 210 CB ASP A 13 -7.480 3.999 5.505 1.00 0.00 C ATOM 211 CG ASP A 13 -6.874 4.012 4.101 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.190 3.074 3.337 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.107 4.959 3.822 1.00 0.00 O ATOM 0 H ASP A 13 -8.876 1.409 5.440 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.352 2.454 6.489 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.528 4.289 5.435 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.979 4.757 6.107 1.00 0.00 H new ATOM 218 N ASP A 14 -7.822 3.584 8.419 1.00 0.00 N ATOM 219 CA ASP A 14 -8.546 3.770 9.665 1.00 0.00 C ATOM 220 C ASP A 14 -9.740 4.696 9.422 1.00 0.00 C ATOM 221 O ASP A 14 -10.606 4.837 10.284 1.00 0.00 O ATOM 222 CB ASP A 14 -7.656 4.416 10.728 1.00 0.00 C ATOM 223 CG ASP A 14 -7.919 3.948 12.162 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.604 2.912 12.304 1.00 0.00 O ATOM 225 OD2 ASP A 14 -7.431 4.639 13.083 1.00 0.00 O ATOM 0 H ASP A 14 -6.973 4.143 8.332 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.873 2.791 10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.614 4.213 10.481 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.789 5.497 10.684 1.00 0.00 H new ATOM 230 N GLN A 15 -9.748 5.302 8.244 1.00 0.00 N ATOM 231 CA GLN A 15 -10.822 6.211 7.877 1.00 0.00 C ATOM 232 C GLN A 15 -11.072 6.154 6.369 1.00 0.00 C ATOM 233 O GLN A 15 -10.130 6.192 5.579 1.00 0.00 O ATOM 234 CB GLN A 15 -10.511 7.639 8.329 1.00 0.00 C ATOM 235 CG GLN A 15 -11.780 8.357 8.790 1.00 0.00 C ATOM 236 CD GLN A 15 -11.460 9.409 9.853 1.00 0.00 C ATOM 237 OE1 GLN A 15 -11.574 9.177 11.046 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.054 10.575 9.358 1.00 0.00 N ATOM 0 H GLN A 15 -9.028 5.182 7.531 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.731 5.894 8.388 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.786 7.617 9.142 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.053 8.192 7.509 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.263 8.833 7.937 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.487 7.631 9.193 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.981 10.703 8.349 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.816 11.341 9.988 1.00 0.00 H new ATOM 247 N VAL A 16 -12.345 6.068 6.015 1.00 0.00 N ATOM 248 CA VAL A 16 -12.731 6.006 4.616 1.00 0.00 C ATOM 249 C VAL A 16 -12.066 7.157 3.858 1.00 0.00 C ATOM 250 O VAL A 16 -11.424 6.939 2.831 1.00 0.00 O ATOM 251 CB VAL A 16 -14.256 6.012 4.493 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.811 4.587 4.494 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.893 6.850 5.603 1.00 0.00 C ATOM 0 H VAL A 16 -13.123 6.040 6.674 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.386 5.076 4.165 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.513 6.471 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.897 4.619 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.395 4.034 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.538 4.091 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.977 6.837 5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.623 6.434 6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.533 7.877 5.536 1.00 0.00 H new ATOM 263 N THR A 17 -12.241 8.356 4.392 1.00 0.00 N ATOM 264 CA THR A 17 -11.666 9.541 3.779 1.00 0.00 C ATOM 265 C THR A 17 -10.254 9.245 3.268 1.00 0.00 C ATOM 266 O THR A 17 -9.947 9.490 2.103 1.00 0.00 O ATOM 267 CB THR A 17 -11.718 10.677 4.803 1.00 0.00 C ATOM 268 OG1 THR A 17 -10.898 10.215 5.874 1.00 0.00 O ATOM 269 CG2 THR A 17 -13.102 10.833 5.434 1.00 0.00 C ATOM 0 H THR A 17 -12.774 8.533 5.244 1.00 0.00 H new ATOM 0 HA THR A 17 -12.236 9.850 2.903 1.00 0.00 H new ATOM 0 HB THR A 17 -11.431 11.613 4.323 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.483 10.981 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.084 11.652 6.153 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.834 11.049 4.656 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.376 9.909 5.944 1.00 0.00 H new ATOM 277 N SER A 18 -9.433 8.724 4.168 1.00 0.00 N ATOM 278 CA SER A 18 -8.060 8.392 3.824 1.00 0.00 C ATOM 279 C SER A 18 -8.039 7.281 2.772 1.00 0.00 C ATOM 280 O SER A 18 -7.393 7.417 1.733 1.00 0.00 O ATOM 281 CB SER A 18 -7.270 7.965 5.063 1.00 0.00 C ATOM 282 OG SER A 18 -7.018 9.061 5.938 1.00 0.00 O ATOM 0 H SER A 18 -9.691 8.524 5.134 1.00 0.00 H new ATOM 0 HA SER A 18 -7.585 9.283 3.413 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.824 7.193 5.598 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.323 7.522 4.755 1.00 0.00 H new ATOM 0 HG SER A 18 -6.513 8.748 6.718 1.00 0.00 H new ATOM 288 N ARG A 19 -8.752 6.207 3.076 1.00 0.00 N ATOM 289 CA ARG A 19 -8.823 5.074 2.170 1.00 0.00 C ATOM 290 C ARG A 19 -9.497 5.483 0.859 1.00 0.00 C ATOM 291 O ARG A 19 -8.839 5.582 -0.176 1.00 0.00 O ATOM 292 CB ARG A 19 -9.602 3.916 2.796 1.00 0.00 C ATOM 293 CG ARG A 19 -9.505 2.658 1.930 1.00 0.00 C ATOM 294 CD ARG A 19 -10.698 2.553 0.978 1.00 0.00 C ATOM 295 NE ARG A 19 -11.964 2.616 1.745 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.389 1.653 2.572 1.00 0.00 C ATOM 297 NH1 ARG A 19 -11.655 0.545 2.747 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.550 1.796 3.226 1.00 0.00 N ATOM 0 H ARG A 19 -9.286 6.097 3.938 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.803 4.745 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.212 3.707 3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.648 4.199 2.916 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.578 2.678 1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.466 1.775 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.664 3.362 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.647 1.618 0.420 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.548 3.445 1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.771 0.435 2.250 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.980 -0.188 3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.110 2.638 3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.874 1.062 3.856 1.00 0.00 H new ATOM 312 N LEU A 20 -10.799 5.712 0.946 1.00 0.00 N ATOM 313 CA LEU A 20 -11.568 6.108 -0.221 1.00 0.00 C ATOM 314 C LEU A 20 -10.758 7.113 -1.044 1.00 0.00 C ATOM 315 O LEU A 20 -10.889 7.168 -2.265 1.00 0.00 O ATOM 316 CB LEU A 20 -12.947 6.625 0.197 1.00 0.00 C ATOM 317 CG LEU A 20 -13.248 8.085 -0.146 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.663 8.470 0.289 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.192 9.017 0.451 1.00 0.00 C ATOM 0 H LEU A 20 -11.341 5.631 1.807 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.756 5.248 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.706 5.998 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.050 6.497 1.275 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.202 8.198 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.851 9.513 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.386 7.835 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.761 8.337 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.429 10.049 0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.182 8.908 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.211 8.759 0.051 1.00 0.00 H new ATOM 331 N LEU A 21 -9.941 7.882 -0.340 1.00 0.00 N ATOM 332 CA LEU A 21 -9.110 8.882 -0.990 1.00 0.00 C ATOM 333 C LEU A 21 -8.064 8.182 -1.860 1.00 0.00 C ATOM 334 O LEU A 21 -7.914 8.506 -3.038 1.00 0.00 O ATOM 335 CB LEU A 21 -8.510 9.835 0.046 1.00 0.00 C ATOM 336 CG LEU A 21 -9.338 11.080 0.371 1.00 0.00 C ATOM 337 CD1 LEU A 21 -8.916 11.684 1.711 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.264 12.099 -0.767 1.00 0.00 C ATOM 0 H LEU A 21 -9.836 7.833 0.673 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.711 9.505 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.347 9.280 0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.531 10.157 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.382 10.781 0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.520 12.567 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.063 10.950 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.864 11.966 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.861 12.974 -0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.227 12.399 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.651 11.651 -1.682 1.00 0.00 H new ATOM 350 N LEU A 22 -7.369 7.235 -1.247 1.00 0.00 N ATOM 351 CA LEU A 22 -6.342 6.486 -1.952 1.00 0.00 C ATOM 352 C LEU A 22 -7.002 5.567 -2.980 1.00 0.00 C ATOM 353 O LEU A 22 -6.541 5.468 -4.117 1.00 0.00 O ATOM 354 CB LEU A 22 -5.438 5.752 -0.960 1.00 0.00 C ATOM 355 CG LEU A 22 -6.147 4.850 0.052 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.747 3.621 -0.634 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.208 4.465 1.197 1.00 0.00 C ATOM 0 H LEU A 22 -7.497 6.969 -0.271 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.688 7.162 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.730 5.145 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.856 6.493 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.973 5.411 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.245 2.997 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.471 3.940 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.954 3.049 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.737 3.824 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.346 3.931 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.870 5.366 1.709 1.00 0.00 H new ATOM 369 N GLY A 23 -8.069 4.915 -2.544 1.00 0.00 N ATOM 370 CA GLY A 23 -8.798 4.006 -3.413 1.00 0.00 C ATOM 371 C GLY A 23 -9.288 4.725 -4.672 1.00 0.00 C ATOM 372 O GLY A 23 -9.389 4.119 -5.737 1.00 0.00 O ATOM 0 H GLY A 23 -8.447 4.998 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.155 3.172 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.648 3.587 -2.875 1.00 0.00 H new ATOM 376 N ASP A 24 -9.580 6.007 -4.507 1.00 0.00 N ATOM 377 CA ASP A 24 -10.056 6.815 -5.617 1.00 0.00 C ATOM 378 C ASP A 24 -8.882 7.156 -6.535 1.00 0.00 C ATOM 379 O ASP A 24 -8.979 7.008 -7.753 1.00 0.00 O ATOM 380 CB ASP A 24 -10.665 8.128 -5.120 1.00 0.00 C ATOM 381 CG ASP A 24 -12.188 8.123 -4.980 1.00 0.00 C ATOM 382 OD1 ASP A 24 -12.695 7.179 -4.335 1.00 0.00 O ATOM 383 OD2 ASP A 24 -12.812 9.061 -5.521 1.00 0.00 O ATOM 0 H ASP A 24 -9.496 6.506 -3.621 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.816 6.243 -6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.227 8.370 -4.152 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.381 8.925 -5.807 1.00 0.00 H new ATOM 388 N ALA A 25 -7.800 7.605 -5.917 1.00 0.00 N ATOM 389 CA ALA A 25 -6.608 7.968 -6.666 1.00 0.00 C ATOM 390 C ALA A 25 -6.003 6.712 -7.293 1.00 0.00 C ATOM 391 O ALA A 25 -5.682 6.699 -8.481 1.00 0.00 O ATOM 392 CB ALA A 25 -5.624 8.689 -5.740 1.00 0.00 C ATOM 0 H ALA A 25 -7.723 7.726 -4.907 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.857 8.653 -7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.730 8.962 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.092 9.590 -5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.349 8.029 -4.917 1.00 0.00 H new ATOM 398 N LEU A 26 -5.865 5.683 -6.469 1.00 0.00 N ATOM 399 CA LEU A 26 -5.304 4.425 -6.929 1.00 0.00 C ATOM 400 C LEU A 26 -6.102 3.926 -8.134 1.00 0.00 C ATOM 401 O LEU A 26 -5.532 3.633 -9.184 1.00 0.00 O ATOM 402 CB LEU A 26 -5.232 3.418 -5.779 1.00 0.00 C ATOM 403 CG LEU A 26 -3.999 3.515 -4.879 1.00 0.00 C ATOM 404 CD1 LEU A 26 -2.727 3.702 -5.709 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.169 4.618 -3.833 1.00 0.00 C ATOM 0 H LEU A 26 -6.133 5.696 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.276 4.566 -7.263 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.120 3.540 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.272 2.413 -6.199 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.895 2.574 -4.340 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.865 3.768 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.603 2.853 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.805 4.619 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.278 4.666 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.312 5.576 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.038 4.400 -3.212 1.00 0.00 H new ATOM 417 N GLN A 27 -7.412 3.844 -7.944 1.00 0.00 N ATOM 418 CA GLN A 27 -8.295 3.386 -9.002 1.00 0.00 C ATOM 419 C GLN A 27 -8.145 4.272 -10.240 1.00 0.00 C ATOM 420 O GLN A 27 -8.301 3.803 -11.366 1.00 0.00 O ATOM 421 CB GLN A 27 -9.748 3.349 -8.526 1.00 0.00 C ATOM 422 CG GLN A 27 -10.326 4.762 -8.420 1.00 0.00 C ATOM 423 CD GLN A 27 -11.855 4.733 -8.453 1.00 0.00 C ATOM 424 OE1 GLN A 27 -12.475 3.756 -8.839 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.427 5.856 -8.028 1.00 0.00 N ATOM 0 H GLN A 27 -7.882 4.087 -7.072 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.010 2.369 -9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.347 2.758 -9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.804 2.855 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.988 5.229 -7.495 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.953 5.374 -9.241 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -11.849 6.637 -7.718 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.444 5.936 -8.012 1.00 0.00 H new ATOM 434 N GLN A 28 -7.844 5.538 -9.989 1.00 0.00 N ATOM 435 CA GLN A 28 -7.671 6.494 -11.069 1.00 0.00 C ATOM 436 C GLN A 28 -6.306 6.305 -11.733 1.00 0.00 C ATOM 437 O GLN A 28 -6.046 6.862 -12.798 1.00 0.00 O ATOM 438 CB GLN A 28 -7.841 7.928 -10.564 1.00 0.00 C ATOM 439 CG GLN A 28 -8.370 8.841 -11.672 1.00 0.00 C ATOM 440 CD GLN A 28 -9.373 9.852 -11.115 1.00 0.00 C ATOM 441 OE1 GLN A 28 -10.576 9.732 -11.287 1.00 0.00 O ATOM 442 NE2 GLN A 28 -8.815 10.854 -10.441 1.00 0.00 N ATOM 0 H GLN A 28 -7.716 5.923 -9.053 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.444 6.312 -11.816 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.529 7.940 -9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.885 8.306 -10.202 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.539 9.368 -12.142 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.846 8.240 -12.447 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.801 10.895 -10.334 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -9.401 11.582 -10.031 1.00 0.00 H new ATOM 451 N LEU A 29 -5.468 5.516 -11.076 1.00 0.00 N ATOM 452 CA LEU A 29 -4.135 5.246 -11.589 1.00 0.00 C ATOM 453 C LEU A 29 -4.206 4.103 -12.603 1.00 0.00 C ATOM 454 O LEU A 29 -3.682 4.216 -13.710 1.00 0.00 O ATOM 455 CB LEU A 29 -3.161 4.987 -10.438 1.00 0.00 C ATOM 456 CG LEU A 29 -2.821 3.521 -10.164 1.00 0.00 C ATOM 457 CD1 LEU A 29 -1.869 2.970 -11.228 1.00 0.00 C ATOM 458 CD2 LEU A 29 -2.265 3.342 -8.750 1.00 0.00 C ATOM 0 H LEU A 29 -5.686 5.055 -10.193 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.746 6.117 -12.116 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.234 5.522 -10.646 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.581 5.418 -9.529 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.742 2.940 -10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.644 1.926 -11.009 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.339 3.042 -12.209 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.945 3.549 -11.225 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.032 2.291 -8.581 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.359 3.938 -8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.008 3.670 -8.023 1.00 0.00 H new ATOM 470 N GLY A 30 -4.860 3.026 -12.191 1.00 0.00 N ATOM 471 CA GLY A 30 -5.006 1.863 -13.049 1.00 0.00 C ATOM 472 C GLY A 30 -5.069 0.577 -12.224 1.00 0.00 C ATOM 473 O GLY A 30 -4.352 -0.382 -12.507 1.00 0.00 O ATOM 0 H GLY A 30 -5.295 2.935 -11.273 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.912 1.960 -13.648 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.168 1.812 -13.744 1.00 0.00 H new ATOM 477 N PHE A 31 -5.934 0.596 -11.221 1.00 0.00 N ATOM 478 CA PHE A 31 -6.099 -0.557 -10.353 1.00 0.00 C ATOM 479 C PHE A 31 -6.799 -1.701 -11.089 1.00 0.00 C ATOM 480 O PHE A 31 -7.760 -1.476 -11.822 1.00 0.00 O ATOM 481 CB PHE A 31 -6.973 -0.111 -9.178 1.00 0.00 C ATOM 482 CG PHE A 31 -8.474 -0.141 -9.474 1.00 0.00 C ATOM 483 CD1 PHE A 31 -9.009 0.737 -10.364 1.00 0.00 C ATOM 484 CD2 PHE A 31 -9.272 -1.045 -8.845 1.00 0.00 C ATOM 485 CE1 PHE A 31 -10.403 0.710 -10.638 1.00 0.00 C ATOM 486 CE2 PHE A 31 -10.666 -1.072 -9.119 1.00 0.00 C ATOM 487 CZ PHE A 31 -11.201 -0.195 -10.010 1.00 0.00 C ATOM 0 H PHE A 31 -6.528 1.392 -10.990 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.125 -0.916 -10.022 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.769 -0.754 -8.322 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.690 0.902 -8.891 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.374 1.455 -10.863 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.847 -1.742 -8.138 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.829 1.407 -11.344 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.301 -1.789 -8.620 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.260 -0.217 -10.219 1.00 0.00 H new ATOM 497 N LYS A 32 -6.289 -2.904 -10.867 1.00 0.00 N ATOM 498 CA LYS A 32 -6.854 -4.084 -11.499 1.00 0.00 C ATOM 499 C LYS A 32 -8.031 -4.592 -10.664 1.00 0.00 C ATOM 500 O LYS A 32 -9.112 -4.840 -11.196 1.00 0.00 O ATOM 501 CB LYS A 32 -5.768 -5.136 -11.736 1.00 0.00 C ATOM 502 CG LYS A 32 -5.095 -4.932 -13.095 1.00 0.00 C ATOM 503 CD LYS A 32 -4.315 -3.616 -13.129 1.00 0.00 C ATOM 504 CE LYS A 32 -3.098 -3.722 -14.050 1.00 0.00 C ATOM 505 NZ LYS A 32 -2.146 -2.622 -13.780 1.00 0.00 N ATOM 0 H LYS A 32 -5.491 -3.087 -10.258 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.247 -3.837 -12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.021 -5.078 -10.944 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.206 -6.133 -11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.421 -5.764 -13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.849 -4.932 -13.882 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.966 -2.812 -13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.991 -3.355 -12.121 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.605 -4.682 -13.901 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.418 -3.686 -15.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.326 -2.709 -14.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.615 -1.709 -13.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.827 -2.674 -12.792 1.00 0.00 H new ATOM 519 N GLN A 33 -7.780 -4.731 -9.371 1.00 0.00 N ATOM 520 CA GLN A 33 -8.806 -5.205 -8.457 1.00 0.00 C ATOM 521 C GLN A 33 -8.660 -4.523 -7.095 1.00 0.00 C ATOM 522 O GLN A 33 -7.861 -4.953 -6.264 1.00 0.00 O ATOM 523 CB GLN A 33 -8.754 -6.728 -8.316 1.00 0.00 C ATOM 524 CG GLN A 33 -10.102 -7.282 -7.851 1.00 0.00 C ATOM 525 CD GLN A 33 -11.166 -7.120 -8.939 1.00 0.00 C ATOM 526 OE1 GLN A 33 -10.884 -7.135 -10.126 1.00 0.00 O ATOM 527 NE2 GLN A 33 -12.400 -6.963 -8.468 1.00 0.00 N ATOM 0 H GLN A 33 -6.882 -4.524 -8.934 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.781 -4.944 -8.869 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.483 -7.176 -9.272 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.978 -7.004 -7.603 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.997 -8.336 -7.594 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.420 -6.764 -6.946 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.565 -6.960 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.181 -6.845 -9.113 1.00 0.00 H new ATOM 536 N ILE A 34 -9.444 -3.472 -6.909 1.00 0.00 N ATOM 537 CA ILE A 34 -9.412 -2.727 -5.662 1.00 0.00 C ATOM 538 C ILE A 34 -10.208 -3.486 -4.598 1.00 0.00 C ATOM 539 O ILE A 34 -11.322 -3.938 -4.856 1.00 0.00 O ATOM 540 CB ILE A 34 -9.895 -1.291 -5.883 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.716 -0.319 -5.947 1.00 0.00 C ATOM 542 CG2 ILE A 34 -10.915 -0.886 -4.817 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.197 1.132 -5.894 1.00 0.00 C ATOM 0 H ILE A 34 -10.105 -3.118 -7.601 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.389 -2.643 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.401 -1.246 -6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.037 -0.511 -5.117 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.152 -0.486 -6.865 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.242 0.138 -4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.774 -1.555 -4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.456 -0.952 -3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.338 1.802 -5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.857 1.328 -6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.739 1.302 -4.964 1.00 0.00 H new ATOM 555 N THR A 35 -9.603 -3.603 -3.425 1.00 0.00 N ATOM 556 CA THR A 35 -10.241 -4.300 -2.321 1.00 0.00 C ATOM 557 C THR A 35 -10.051 -3.521 -1.018 1.00 0.00 C ATOM 558 O THR A 35 -8.932 -3.391 -0.526 1.00 0.00 O ATOM 559 CB THR A 35 -9.675 -5.720 -2.268 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.810 -6.537 -1.999 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.763 -5.942 -1.060 1.00 0.00 C ATOM 0 H THR A 35 -8.678 -3.227 -3.215 1.00 0.00 H new ATOM 0 HA THR A 35 -11.319 -4.370 -2.467 1.00 0.00 H new ATOM 0 HB THR A 35 -9.121 -5.923 -3.184 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.533 -7.476 -1.950 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.388 -6.966 -1.070 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.924 -5.248 -1.105 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.326 -5.771 -0.143 1.00 0.00 H new ATOM 569 N ALA A 36 -11.163 -3.023 -0.496 1.00 0.00 N ATOM 570 CA ALA A 36 -11.133 -2.262 0.741 1.00 0.00 C ATOM 571 C ALA A 36 -11.466 -3.186 1.913 1.00 0.00 C ATOM 572 O ALA A 36 -12.231 -4.138 1.760 1.00 0.00 O ATOM 573 CB ALA A 36 -12.100 -1.081 0.637 1.00 0.00 C ATOM 0 H ALA A 36 -12.090 -3.132 -0.907 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.137 -1.855 0.916 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.078 -0.510 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.802 -0.439 -0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.110 -1.452 0.463 1.00 0.00 H new ATOM 579 N ALA A 37 -10.877 -2.874 3.059 1.00 0.00 N ATOM 580 CA ALA A 37 -11.102 -3.665 4.256 1.00 0.00 C ATOM 581 C ALA A 37 -11.368 -2.730 5.438 1.00 0.00 C ATOM 582 O ALA A 37 -11.403 -1.511 5.273 1.00 0.00 O ATOM 583 CB ALA A 37 -9.901 -4.582 4.496 1.00 0.00 C ATOM 0 H ALA A 37 -10.244 -2.084 3.183 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.979 -4.302 4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.070 -5.175 5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.774 -5.246 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.002 -3.979 4.624 1.00 0.00 H new ATOM 589 N GLY A 38 -11.546 -3.336 6.602 1.00 0.00 N ATOM 590 CA GLY A 38 -11.807 -2.572 7.810 1.00 0.00 C ATOM 591 C GLY A 38 -10.654 -1.614 8.113 1.00 0.00 C ATOM 592 O GLY A 38 -10.857 -0.405 8.220 1.00 0.00 O ATOM 0 H GLY A 38 -11.515 -4.347 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.732 -2.008 7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.950 -3.251 8.650 1.00 0.00 H new ATOM 596 N ASP A 39 -9.467 -2.190 8.244 1.00 0.00 N ATOM 597 CA ASP A 39 -8.281 -1.403 8.533 1.00 0.00 C ATOM 598 C ASP A 39 -7.081 -2.337 8.701 1.00 0.00 C ATOM 599 O ASP A 39 -7.247 -3.552 8.803 1.00 0.00 O ATOM 600 CB ASP A 39 -8.449 -0.609 9.830 1.00 0.00 C ATOM 601 CG ASP A 39 -9.482 -1.175 10.805 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.075 -2.007 11.644 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.657 -0.763 10.689 1.00 0.00 O ATOM 0 H ASP A 39 -9.302 -3.193 8.155 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.126 -0.711 7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.484 -0.559 10.335 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.731 0.413 9.579 1.00 0.00 H new ATOM 608 N GLY A 40 -5.902 -1.736 8.726 1.00 0.00 N ATOM 609 CA GLY A 40 -4.675 -2.499 8.881 1.00 0.00 C ATOM 610 C GLY A 40 -4.898 -3.972 8.528 1.00 0.00 C ATOM 611 O GLY A 40 -5.133 -4.307 7.368 1.00 0.00 O ATOM 0 H GLY A 40 -5.769 -0.728 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.899 -2.081 8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.319 -2.417 9.908 1.00 0.00 H new ATOM 615 N GLU A 41 -4.816 -4.811 9.549 1.00 0.00 N ATOM 616 CA GLU A 41 -5.005 -6.239 9.360 1.00 0.00 C ATOM 617 C GLU A 41 -6.318 -6.508 8.624 1.00 0.00 C ATOM 618 O GLU A 41 -6.335 -7.208 7.612 1.00 0.00 O ATOM 619 CB GLU A 41 -4.967 -6.979 10.700 1.00 0.00 C ATOM 620 CG GLU A 41 -6.292 -6.826 11.449 1.00 0.00 C ATOM 621 CD GLU A 41 -6.260 -7.581 12.779 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.165 -8.072 13.127 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.331 -7.649 13.419 1.00 0.00 O ATOM 0 H GLU A 41 -4.621 -4.530 10.510 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.185 -6.616 8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.761 -8.036 10.530 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.153 -6.590 11.311 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.491 -5.770 11.631 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.108 -7.203 10.832 1.00 0.00 H new ATOM 630 N GLN A 42 -7.388 -5.937 9.159 1.00 0.00 N ATOM 631 CA GLN A 42 -8.703 -6.107 8.565 1.00 0.00 C ATOM 632 C GLN A 42 -8.599 -6.109 7.038 1.00 0.00 C ATOM 633 O GLN A 42 -9.411 -6.734 6.358 1.00 0.00 O ATOM 634 CB GLN A 42 -9.667 -5.022 9.047 1.00 0.00 C ATOM 635 CG GLN A 42 -10.707 -5.599 10.009 1.00 0.00 C ATOM 636 CD GLN A 42 -11.956 -6.059 9.254 1.00 0.00 C ATOM 637 OE1 GLN A 42 -11.894 -6.535 8.132 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.089 -5.893 9.930 1.00 0.00 N ATOM 0 H GLN A 42 -7.371 -5.356 9.997 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.103 -7.070 8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.108 -4.229 9.543 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.169 -4.571 8.191 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.277 -6.439 10.554 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.981 -4.846 10.748 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.070 -5.488 10.866 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -13.977 -6.171 9.513 1.00 0.00 H new ATOM 647 N GLY A 43 -7.593 -5.402 6.544 1.00 0.00 N ATOM 648 CA GLY A 43 -7.372 -5.315 5.111 1.00 0.00 C ATOM 649 C GLY A 43 -6.139 -6.119 4.696 1.00 0.00 C ATOM 650 O GLY A 43 -6.176 -6.857 3.712 1.00 0.00 O ATOM 0 H GLY A 43 -6.922 -4.884 7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.249 -5.688 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.244 -4.272 4.822 1.00 0.00 H new ATOM 654 N MET A 44 -5.075 -5.949 5.467 1.00 0.00 N ATOM 655 CA MET A 44 -3.832 -6.650 5.192 1.00 0.00 C ATOM 656 C MET A 44 -4.057 -8.162 5.127 1.00 0.00 C ATOM 657 O MET A 44 -3.638 -8.816 4.174 1.00 0.00 O ATOM 658 CB MET A 44 -2.813 -6.332 6.288 1.00 0.00 C ATOM 659 CG MET A 44 -1.959 -7.559 6.615 1.00 0.00 C ATOM 660 SD MET A 44 -1.117 -8.126 5.146 1.00 0.00 S ATOM 661 CE MET A 44 -0.693 -9.784 5.654 1.00 0.00 C ATOM 0 H MET A 44 -5.048 -5.336 6.282 1.00 0.00 H new ATOM 0 HA MET A 44 -3.455 -6.316 4.225 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.170 -5.513 5.966 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.332 -5.996 7.186 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.232 -7.311 7.388 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.588 -8.355 7.013 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.286 -10.332 4.804 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.052 -9.742 6.449 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.585 -10.292 6.019 1.00 0.00 H new ATOM 671 N LYS A 45 -4.719 -8.674 6.155 1.00 0.00 N ATOM 672 CA LYS A 45 -5.005 -10.096 6.228 1.00 0.00 C ATOM 673 C LYS A 45 -5.774 -10.522 4.975 1.00 0.00 C ATOM 674 O LYS A 45 -5.577 -11.624 4.466 1.00 0.00 O ATOM 675 CB LYS A 45 -5.726 -10.432 7.534 1.00 0.00 C ATOM 676 CG LYS A 45 -4.789 -10.274 8.734 1.00 0.00 C ATOM 677 CD LYS A 45 -4.512 -11.626 9.394 1.00 0.00 C ATOM 678 CE LYS A 45 -4.275 -12.712 8.342 1.00 0.00 C ATOM 679 NZ LYS A 45 -3.388 -13.769 8.879 1.00 0.00 N ATOM 0 H LYS A 45 -5.065 -8.128 6.944 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.078 -10.670 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.591 -9.779 7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.102 -11.454 7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.850 -9.824 8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.234 -9.595 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.639 -11.546 10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.355 -11.905 10.027 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.227 -13.147 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.828 -12.272 7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.237 -14.498 8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.473 -13.352 9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.829 -14.200 9.716 1.00 0.00 H new ATOM 693 N ILE A 46 -6.633 -9.625 4.512 1.00 0.00 N ATOM 694 CA ILE A 46 -7.431 -9.894 3.329 1.00 0.00 C ATOM 695 C ILE A 46 -6.503 -10.154 2.142 1.00 0.00 C ATOM 696 O ILE A 46 -6.726 -11.083 1.366 1.00 0.00 O ATOM 697 CB ILE A 46 -8.433 -8.763 3.090 1.00 0.00 C ATOM 698 CG1 ILE A 46 -9.771 -9.063 3.768 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.598 -8.483 1.596 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.559 -9.693 5.146 1.00 0.00 C ATOM 0 H ILE A 46 -6.793 -8.711 4.936 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.029 -10.794 3.470 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.038 -7.855 3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.346 -8.142 3.870 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.357 -9.737 3.142 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.316 -7.675 1.454 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.637 -8.193 1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.959 -9.381 1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.526 -9.896 5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.005 -10.626 5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.994 -9.007 5.777 1.00 0.00 H new ATOM 712 N MET A 47 -5.482 -9.316 2.035 1.00 0.00 N ATOM 713 CA MET A 47 -4.518 -9.444 0.954 1.00 0.00 C ATOM 714 C MET A 47 -3.709 -10.736 1.091 1.00 0.00 C ATOM 715 O MET A 47 -3.326 -11.341 0.092 1.00 0.00 O ATOM 716 CB MET A 47 -3.571 -8.243 0.970 1.00 0.00 C ATOM 717 CG MET A 47 -4.192 -7.046 0.247 1.00 0.00 C ATOM 718 SD MET A 47 -3.330 -6.747 -1.287 1.00 0.00 S ATOM 719 CE MET A 47 -4.644 -7.076 -2.450 1.00 0.00 C ATOM 0 H MET A 47 -5.301 -8.546 2.679 1.00 0.00 H new ATOM 0 HA MET A 47 -5.061 -9.477 0.009 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.340 -7.971 2.000 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.629 -8.512 0.493 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.247 -7.237 0.050 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.141 -6.161 0.881 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.290 -6.883 -3.463 1.00 0.00 H new ATOM 0 HE2 MET A 47 -4.952 -8.118 -2.365 1.00 0.00 H new ATOM 0 HE3 MET A 47 -5.493 -6.428 -2.233 1.00 0.00 H new ATOM 729 N ALA A 48 -3.473 -11.118 2.337 1.00 0.00 N ATOM 730 CA ALA A 48 -2.715 -12.326 2.618 1.00 0.00 C ATOM 731 C ALA A 48 -3.477 -13.538 2.077 1.00 0.00 C ATOM 732 O ALA A 48 -2.901 -14.385 1.396 1.00 0.00 O ATOM 733 CB ALA A 48 -2.453 -12.426 4.122 1.00 0.00 C ATOM 0 H ALA A 48 -3.793 -10.613 3.163 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.746 -12.296 2.120 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.885 -13.332 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.885 -11.556 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.403 -12.461 4.655 1.00 0.00 H new ATOM 739 N GLN A 49 -4.761 -13.581 2.399 1.00 0.00 N ATOM 740 CA GLN A 49 -5.608 -14.675 1.953 1.00 0.00 C ATOM 741 C GLN A 49 -5.729 -14.665 0.428 1.00 0.00 C ATOM 742 O GLN A 49 -5.302 -15.605 -0.239 1.00 0.00 O ATOM 743 CB GLN A 49 -6.986 -14.605 2.614 1.00 0.00 C ATOM 744 CG GLN A 49 -6.861 -14.336 4.115 1.00 0.00 C ATOM 745 CD GLN A 49 -7.303 -15.554 4.929 1.00 0.00 C ATOM 746 OE1 GLN A 49 -8.452 -15.965 4.906 1.00 0.00 O ATOM 747 NE2 GLN A 49 -6.330 -16.104 5.650 1.00 0.00 N ATOM 0 H GLN A 49 -5.236 -12.876 2.963 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.144 -15.614 2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.577 -13.817 2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.519 -15.542 2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.828 -14.087 4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.470 -13.473 4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.390 -15.709 5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.524 -16.921 6.230 1.00 0.00 H new ATOM 756 N ASN A 50 -6.316 -13.590 -0.079 1.00 0.00 N ATOM 757 CA ASN A 50 -6.498 -13.445 -1.513 1.00 0.00 C ATOM 758 C ASN A 50 -5.184 -12.986 -2.148 1.00 0.00 C ATOM 759 O ASN A 50 -4.165 -12.886 -1.468 1.00 0.00 O ATOM 760 CB ASN A 50 -7.568 -12.396 -1.828 1.00 0.00 C ATOM 761 CG ASN A 50 -8.469 -12.150 -0.617 1.00 0.00 C ATOM 762 OD1 ASN A 50 -8.661 -13.008 0.230 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.009 -10.935 -0.581 1.00 0.00 N ATOM 0 H ASN A 50 -6.671 -12.812 0.477 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.809 -14.410 -1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.090 -11.463 -2.126 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.171 -12.729 -2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.626 -10.674 0.188 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.806 -10.265 -1.323 1.00 0.00 H new ATOM 770 N PRO A 51 -5.252 -12.712 -3.478 1.00 0.00 N ATOM 771 CA PRO A 51 -4.081 -12.265 -4.211 1.00 0.00 C ATOM 772 C PRO A 51 -3.756 -10.805 -3.891 1.00 0.00 C ATOM 773 O PRO A 51 -4.659 -9.980 -3.759 1.00 0.00 O ATOM 774 CB PRO A 51 -4.423 -12.491 -5.675 1.00 0.00 C ATOM 775 CG PRO A 51 -5.937 -12.617 -5.734 1.00 0.00 C ATOM 776 CD PRO A 51 -6.444 -12.818 -4.315 1.00 0.00 C ATOM 0 HA PRO A 51 -3.180 -12.813 -3.937 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.076 -11.661 -6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.941 -13.392 -6.054 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.378 -11.722 -6.174 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.226 -13.457 -6.365 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.184 -12.063 -4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.924 -13.790 -4.200 1.00 0.00 H new ATOM 784 N HIS A 52 -2.466 -10.531 -3.777 1.00 0.00 N ATOM 785 CA HIS A 52 -2.011 -9.184 -3.475 1.00 0.00 C ATOM 786 C HIS A 52 -0.894 -8.790 -4.443 1.00 0.00 C ATOM 787 O HIS A 52 -0.009 -9.592 -4.735 1.00 0.00 O ATOM 788 CB HIS A 52 -1.591 -9.069 -2.008 1.00 0.00 C ATOM 789 CG HIS A 52 -0.670 -10.172 -1.543 1.00 0.00 C ATOM 790 ND1 HIS A 52 -0.413 -10.421 -0.206 1.00 0.00 N ATOM 791 CD2 HIS A 52 0.049 -11.089 -2.252 1.00 0.00 C ATOM 792 CE1 HIS A 52 0.426 -11.443 -0.125 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.711 -11.855 -1.394 1.00 0.00 N ATOM 0 H HIS A 52 -1.721 -11.218 -3.888 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.831 -8.480 -3.615 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.097 -8.109 -1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.485 -9.069 -1.384 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -0.803 -9.905 0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.075 -11.177 -3.328 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.816 -11.874 0.785 1.00 0.00 H new ATOM 802 N HIS A 53 -0.973 -7.554 -4.916 1.00 0.00 N ATOM 803 CA HIS A 53 0.020 -7.044 -5.847 1.00 0.00 C ATOM 804 C HIS A 53 0.482 -5.657 -5.394 1.00 0.00 C ATOM 805 O HIS A 53 1.664 -5.330 -5.492 1.00 0.00 O ATOM 806 CB HIS A 53 -0.523 -7.050 -7.277 1.00 0.00 C ATOM 807 CG HIS A 53 0.550 -7.060 -8.340 1.00 0.00 C ATOM 808 ND1 HIS A 53 0.580 -6.150 -9.382 1.00 0.00 N ATOM 809 CD2 HIS A 53 1.630 -7.875 -8.510 1.00 0.00 C ATOM 810 CE1 HIS A 53 1.633 -6.416 -10.139 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.282 -7.487 -9.598 1.00 0.00 N ATOM 0 H HIS A 53 -1.709 -6.891 -4.672 1.00 0.00 H new ATOM 0 HA HIS A 53 0.892 -7.697 -5.849 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.160 -7.925 -7.410 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.153 -6.172 -7.419 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.908 -8.697 -7.867 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.927 -5.879 -11.029 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.129 -7.918 -9.969 1.00 0.00 H new ATOM 820 N LEU A 54 -0.474 -4.879 -4.908 1.00 0.00 N ATOM 821 CA LEU A 54 -0.180 -3.535 -4.441 1.00 0.00 C ATOM 822 C LEU A 54 -1.094 -3.200 -3.259 1.00 0.00 C ATOM 823 O LEU A 54 -2.306 -3.072 -3.425 1.00 0.00 O ATOM 824 CB LEU A 54 -0.273 -2.535 -5.594 1.00 0.00 C ATOM 825 CG LEU A 54 -0.427 -1.065 -5.196 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.897 -0.492 -4.690 1.00 0.00 C ATOM 827 CD2 LEU A 54 -1.005 -0.242 -6.350 1.00 0.00 C ATOM 0 H LEU A 54 -1.453 -5.154 -4.828 1.00 0.00 H new ATOM 0 HA LEU A 54 0.846 -3.473 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.623 -2.633 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.120 -2.812 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.138 -1.007 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.759 0.553 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.228 -1.057 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.649 -0.564 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.104 0.799 -6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.338 -0.303 -7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.985 -0.635 -6.622 1.00 0.00 H new ATOM 839 N VAL A 55 -0.476 -3.066 -2.095 1.00 0.00 N ATOM 840 CA VAL A 55 -1.219 -2.748 -0.887 1.00 0.00 C ATOM 841 C VAL A 55 -1.175 -1.237 -0.650 1.00 0.00 C ATOM 842 O VAL A 55 -0.119 -0.617 -0.769 1.00 0.00 O ATOM 843 CB VAL A 55 -0.670 -3.554 0.292 1.00 0.00 C ATOM 844 CG1 VAL A 55 -0.973 -2.858 1.621 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.220 -4.982 0.283 1.00 0.00 C ATOM 0 H VAL A 55 0.530 -3.172 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.266 -3.030 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 55 0.413 -3.611 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.572 -3.452 2.442 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.512 -1.871 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.052 -2.755 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.814 -5.534 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.307 -4.954 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.931 -5.477 -0.644 1.00 0.00 H new ATOM 855 N ILE A 56 -2.335 -0.688 -0.320 1.00 0.00 N ATOM 856 CA ILE A 56 -2.442 0.738 -0.065 1.00 0.00 C ATOM 857 C ILE A 56 -3.320 0.968 1.167 1.00 0.00 C ATOM 858 O ILE A 56 -4.489 0.586 1.181 1.00 0.00 O ATOM 859 CB ILE A 56 -2.934 1.470 -1.315 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.032 0.672 -2.021 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.770 1.798 -2.253 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.453 -0.563 -2.713 1.00 0.00 C ATOM 0 H ILE A 56 -3.209 -1.205 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.462 1.159 0.159 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.374 2.418 -1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.788 0.367 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.531 1.304 -2.755 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.148 2.318 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.053 2.435 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.279 0.875 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.254 -1.112 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.715 -0.253 -3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.976 -1.205 -1.972 1.00 0.00 H new ATOM 874 N SER A 57 -2.722 1.590 2.173 1.00 0.00 N ATOM 875 CA SER A 57 -3.435 1.875 3.406 1.00 0.00 C ATOM 876 C SER A 57 -3.030 3.252 3.938 1.00 0.00 C ATOM 877 O SER A 57 -2.279 3.976 3.288 1.00 0.00 O ATOM 878 CB SER A 57 -3.165 0.799 4.459 1.00 0.00 C ATOM 879 OG SER A 57 -3.345 1.291 5.784 1.00 0.00 O ATOM 0 H SER A 57 -1.752 1.904 2.159 1.00 0.00 H new ATOM 0 HA SER A 57 -4.504 1.875 3.191 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.832 -0.047 4.293 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.146 0.428 4.345 1.00 0.00 H new ATOM 0 HG SER A 57 -3.165 0.574 6.427 1.00 0.00 H new ATOM 885 N ASP A 58 -3.548 3.570 5.116 1.00 0.00 N ATOM 886 CA ASP A 58 -3.251 4.847 5.742 1.00 0.00 C ATOM 887 C ASP A 58 -1.962 4.721 6.558 1.00 0.00 C ATOM 888 O ASP A 58 -1.506 3.614 6.838 1.00 0.00 O ATOM 889 CB ASP A 58 -4.373 5.269 6.693 1.00 0.00 C ATOM 890 CG ASP A 58 -4.832 4.187 7.673 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.467 3.015 7.435 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.535 4.556 8.637 1.00 0.00 O ATOM 0 H ASP A 58 -4.171 2.966 5.652 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.147 5.593 4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.039 6.136 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.230 5.588 6.100 1.00 0.00 H new ATOM 897 N PHE A 59 -1.413 5.873 6.918 1.00 0.00 N ATOM 898 CA PHE A 59 -0.186 5.905 7.695 1.00 0.00 C ATOM 899 C PHE A 59 -0.475 5.694 9.183 1.00 0.00 C ATOM 900 O PHE A 59 0.437 5.426 9.965 1.00 0.00 O ATOM 901 CB PHE A 59 0.431 7.291 7.500 1.00 0.00 C ATOM 902 CG PHE A 59 1.814 7.270 6.843 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.678 6.256 7.113 1.00 0.00 C ATOM 904 CD2 PHE A 59 2.177 8.265 5.990 1.00 0.00 C ATOM 905 CE1 PHE A 59 3.961 6.235 6.504 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.459 8.245 5.381 1.00 0.00 C ATOM 907 CZ PHE A 59 4.324 7.231 5.651 1.00 0.00 C ATOM 0 H PHE A 59 -1.795 6.790 6.686 1.00 0.00 H new ATOM 0 HA PHE A 59 0.484 5.111 7.365 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.241 7.894 6.889 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.508 7.783 8.470 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.389 5.466 7.791 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.490 9.070 5.776 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.648 5.429 6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.747 9.035 4.703 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.300 7.216 5.188 1.00 0.00 H new ATOM 917 N ASN A 60 -1.747 5.823 9.531 1.00 0.00 N ATOM 918 CA ASN A 60 -2.167 5.651 10.911 1.00 0.00 C ATOM 919 C ASN A 60 -1.509 4.396 11.486 1.00 0.00 C ATOM 920 O ASN A 60 -0.809 3.676 10.775 1.00 0.00 O ATOM 921 CB ASN A 60 -3.684 5.475 11.007 1.00 0.00 C ATOM 922 CG ASN A 60 -4.399 6.823 10.896 1.00 0.00 C ATOM 923 OD1 ASN A 60 -4.037 7.801 11.527 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.434 6.818 10.061 1.00 0.00 N ATOM 0 H ASN A 60 -2.501 6.045 8.881 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.871 6.540 11.467 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.028 4.810 10.214 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.940 5.000 11.954 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.978 7.669 9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.684 5.963 9.563 1.00 0.00 H new ATOM 931 N MET A 61 -1.755 4.171 12.769 1.00 0.00 N ATOM 932 CA MET A 61 -1.195 3.015 13.448 1.00 0.00 C ATOM 933 C MET A 61 -2.278 1.975 13.742 1.00 0.00 C ATOM 934 O MET A 61 -2.621 1.743 14.900 1.00 0.00 O ATOM 935 CB MET A 61 -0.544 3.460 14.759 1.00 0.00 C ATOM 936 CG MET A 61 -1.601 3.881 15.782 1.00 0.00 C ATOM 937 SD MET A 61 -1.030 5.300 16.702 1.00 0.00 S ATOM 938 CE MET A 61 -1.375 6.593 15.521 1.00 0.00 C ATOM 0 H MET A 61 -2.335 4.770 13.356 1.00 0.00 H new ATOM 0 HA MET A 61 -0.448 2.560 12.797 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.056 2.646 15.165 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.134 4.292 14.568 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.536 4.119 15.274 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.809 3.056 16.463 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.143 7.562 15.964 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.764 6.445 14.631 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.429 6.563 15.246 1.00 0.00 H new ATOM 948 N PRO A 62 -2.797 1.360 12.646 1.00 0.00 N ATOM 949 CA PRO A 62 -3.833 0.350 12.775 1.00 0.00 C ATOM 950 C PRO A 62 -3.251 -0.971 13.283 1.00 0.00 C ATOM 951 O PRO A 62 -2.171 -0.992 13.872 1.00 0.00 O ATOM 952 CB PRO A 62 -4.446 0.236 11.389 1.00 0.00 C ATOM 953 CG PRO A 62 -3.431 0.840 10.433 1.00 0.00 C ATOM 954 CD PRO A 62 -2.414 1.610 11.260 1.00 0.00 C ATOM 0 HA PRO A 62 -4.592 0.617 13.510 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.649 -0.805 11.136 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.396 0.768 11.337 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.939 0.058 9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.924 1.502 9.721 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.399 1.265 11.061 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.440 2.675 11.028 1.00 0.00 H new ATOM 962 N LYS A 63 -3.992 -2.041 13.037 1.00 0.00 N ATOM 963 CA LYS A 63 -3.563 -3.362 13.461 1.00 0.00 C ATOM 964 C LYS A 63 -2.231 -3.702 12.788 1.00 0.00 C ATOM 965 O LYS A 63 -1.417 -4.433 13.349 1.00 0.00 O ATOM 966 CB LYS A 63 -4.664 -4.393 13.200 1.00 0.00 C ATOM 967 CG LYS A 63 -5.647 -4.452 14.371 1.00 0.00 C ATOM 968 CD LYS A 63 -5.401 -5.693 15.232 1.00 0.00 C ATOM 969 CE LYS A 63 -3.923 -6.090 15.212 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.519 -6.651 16.520 1.00 0.00 N ATOM 0 H LYS A 63 -4.887 -2.020 12.549 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.391 -3.379 14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.198 -4.137 12.285 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.218 -5.375 13.045 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.545 -3.555 14.982 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.669 -4.465 13.992 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.715 -5.497 16.257 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.009 -6.521 14.866 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.748 -6.824 14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.310 -5.220 14.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.514 -6.915 16.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.667 -5.939 17.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.092 -7.494 16.728 1.00 0.00 H new ATOM 984 N MET A 64 -2.052 -3.155 11.595 1.00 0.00 N ATOM 985 CA MET A 64 -0.833 -3.392 10.839 1.00 0.00 C ATOM 986 C MET A 64 -0.529 -2.216 9.908 1.00 0.00 C ATOM 987 O MET A 64 -1.348 -1.864 9.060 1.00 0.00 O ATOM 988 CB MET A 64 -0.982 -4.672 10.015 1.00 0.00 C ATOM 989 CG MET A 64 -1.746 -5.742 10.798 1.00 0.00 C ATOM 990 SD MET A 64 -1.887 -7.228 9.820 1.00 0.00 S ATOM 991 CE MET A 64 -1.814 -8.458 11.113 1.00 0.00 C ATOM 0 H MET A 64 -2.730 -2.549 11.133 1.00 0.00 H new ATOM 0 HA MET A 64 -0.007 -3.498 11.542 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.507 -4.452 9.086 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.003 -5.050 9.742 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.229 -5.959 11.733 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.738 -5.374 11.061 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.889 -9.453 10.674 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.869 -8.368 11.648 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.640 -8.305 11.808 1.00 0.00 H new ATOM 1001 N ASP A 65 0.650 -1.643 10.096 1.00 0.00 N ATOM 1002 CA ASP A 65 1.072 -0.514 9.284 1.00 0.00 C ATOM 1003 C ASP A 65 2.410 -0.844 8.619 1.00 0.00 C ATOM 1004 O ASP A 65 3.028 -1.862 8.928 1.00 0.00 O ATOM 1005 CB ASP A 65 1.266 0.739 10.139 1.00 0.00 C ATOM 1006 CG ASP A 65 1.263 2.058 9.364 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.246 2.316 8.686 1.00 0.00 O ATOM 1008 OD2 ASP A 65 2.280 2.777 9.466 1.00 0.00 O ATOM 0 H ASP A 65 1.327 -1.939 10.799 1.00 0.00 H new ATOM 0 HA ASP A 65 0.298 -0.325 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.476 0.774 10.889 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.211 0.652 10.675 1.00 0.00 H new ATOM 1013 N GLY A 66 2.819 0.037 7.717 1.00 0.00 N ATOM 1014 CA GLY A 66 4.072 -0.147 7.005 1.00 0.00 C ATOM 1015 C GLY A 66 5.056 -0.976 7.833 1.00 0.00 C ATOM 1016 O GLY A 66 5.793 -1.796 7.289 1.00 0.00 O ATOM 0 H GLY A 66 2.304 0.880 7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.884 -0.643 6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.511 0.824 6.777 1.00 0.00 H new ATOM 1020 N LEU A 67 5.036 -0.733 9.135 1.00 0.00 N ATOM 1021 CA LEU A 67 5.917 -1.446 10.043 1.00 0.00 C ATOM 1022 C LEU A 67 5.432 -2.890 10.189 1.00 0.00 C ATOM 1023 O LEU A 67 6.128 -3.825 9.798 1.00 0.00 O ATOM 1024 CB LEU A 67 6.034 -0.699 11.374 1.00 0.00 C ATOM 1025 CG LEU A 67 6.566 0.732 11.294 1.00 0.00 C ATOM 1026 CD1 LEU A 67 7.992 0.757 10.738 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.620 1.625 10.488 1.00 0.00 C ATOM 0 H LEU A 67 4.423 -0.052 9.583 1.00 0.00 H new ATOM 0 HA LEU A 67 6.928 -1.488 9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.050 -0.674 11.842 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.686 -1.272 12.033 1.00 0.00 H new ATOM 0 HG LEU A 67 6.608 1.138 12.305 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.346 1.787 10.692 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.646 0.177 11.389 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.000 0.325 9.737 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.022 2.637 10.447 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.522 1.232 9.476 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.641 1.643 10.966 1.00 0.00 H new ATOM 1039 N GLY A 68 4.240 -3.027 10.752 1.00 0.00 N ATOM 1040 CA GLY A 68 3.654 -4.340 10.954 1.00 0.00 C ATOM 1041 C GLY A 68 3.454 -5.063 9.620 1.00 0.00 C ATOM 1042 O GLY A 68 3.685 -6.267 9.521 1.00 0.00 O ATOM 0 H GLY A 68 3.664 -2.249 11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.299 -4.935 11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.696 -4.240 11.465 1.00 0.00 H new ATOM 1046 N LEU A 69 3.028 -4.297 8.627 1.00 0.00 N ATOM 1047 CA LEU A 69 2.794 -4.848 7.303 1.00 0.00 C ATOM 1048 C LEU A 69 4.072 -5.527 6.806 1.00 0.00 C ATOM 1049 O LEU A 69 4.031 -6.660 6.327 1.00 0.00 O ATOM 1050 CB LEU A 69 2.264 -3.768 6.358 1.00 0.00 C ATOM 1051 CG LEU A 69 0.823 -3.947 5.877 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.151 -3.957 7.056 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.456 -2.884 4.838 1.00 0.00 C ATOM 0 H LEU A 69 2.839 -3.298 8.713 1.00 0.00 H new ATOM 0 HA LEU A 69 2.019 -5.613 7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.341 -2.804 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.915 -3.726 5.485 1.00 0.00 H new ATOM 0 HG LEU A 69 0.744 -4.917 5.387 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.168 -4.086 6.686 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.098 -4.779 7.727 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.078 -3.013 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.573 -3.034 4.512 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.556 -1.893 5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.124 -2.968 3.980 1.00 0.00 H new ATOM 1065 N LEU A 70 5.177 -4.808 6.938 1.00 0.00 N ATOM 1066 CA LEU A 70 6.464 -5.327 6.508 1.00 0.00 C ATOM 1067 C LEU A 70 6.746 -6.645 7.233 1.00 0.00 C ATOM 1068 O LEU A 70 6.743 -7.709 6.616 1.00 0.00 O ATOM 1069 CB LEU A 70 7.556 -4.274 6.700 1.00 0.00 C ATOM 1070 CG LEU A 70 8.947 -4.648 6.182 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.985 -3.600 6.588 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.342 -6.053 6.640 1.00 0.00 C ATOM 0 H LEU A 70 5.207 -3.870 7.337 1.00 0.00 H new ATOM 0 HA LEU A 70 6.449 -5.547 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.240 -3.357 6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.634 -4.050 7.764 1.00 0.00 H new ATOM 0 HG LEU A 70 8.913 -4.661 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.964 -3.891 6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.707 -2.632 6.172 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.025 -3.530 7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.334 -6.294 6.259 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.353 -6.091 7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.621 -6.776 6.259 1.00 0.00 H new ATOM 1084 N GLN A 71 6.981 -6.529 8.532 1.00 0.00 N ATOM 1085 CA GLN A 71 7.263 -7.698 9.347 1.00 0.00 C ATOM 1086 C GLN A 71 6.318 -8.844 8.979 1.00 0.00 C ATOM 1087 O GLN A 71 6.695 -10.013 9.054 1.00 0.00 O ATOM 1088 CB GLN A 71 7.166 -7.365 10.838 1.00 0.00 C ATOM 1089 CG GLN A 71 8.042 -6.161 11.188 1.00 0.00 C ATOM 1090 CD GLN A 71 8.608 -6.289 12.604 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.267 -7.256 12.952 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.316 -5.262 13.398 1.00 0.00 N ATOM 0 H GLN A 71 6.982 -5.644 9.040 1.00 0.00 H new ATOM 0 HA GLN A 71 8.285 -8.017 9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.129 -7.154 11.101 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.475 -8.228 11.428 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.859 -6.081 10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.457 -5.245 11.108 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.760 -4.485 13.042 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.649 -5.252 14.362 1.00 0.00 H new ATOM 1101 N ALA A 72 5.110 -8.469 8.588 1.00 0.00 N ATOM 1102 CA ALA A 72 4.107 -9.450 8.208 1.00 0.00 C ATOM 1103 C ALA A 72 4.574 -10.188 6.951 1.00 0.00 C ATOM 1104 O ALA A 72 4.569 -11.417 6.912 1.00 0.00 O ATOM 1105 CB ALA A 72 2.760 -8.753 8.008 1.00 0.00 C ATOM 0 H ALA A 72 4.802 -7.499 8.526 1.00 0.00 H new ATOM 0 HA ALA A 72 3.976 -10.191 8.997 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.008 -9.489 7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.460 -8.268 8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.851 -8.004 7.221 1.00 0.00 H new ATOM 1111 N VAL A 73 4.965 -9.406 5.956 1.00 0.00 N ATOM 1112 CA VAL A 73 5.434 -9.970 4.701 1.00 0.00 C ATOM 1113 C VAL A 73 6.636 -10.876 4.972 1.00 0.00 C ATOM 1114 O VAL A 73 6.663 -12.025 4.535 1.00 0.00 O ATOM 1115 CB VAL A 73 5.742 -8.849 3.706 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.837 -7.639 3.945 1.00 0.00 C ATOM 1117 CG2 VAL A 73 7.218 -8.450 3.771 1.00 0.00 C ATOM 0 H VAL A 73 4.967 -8.387 5.993 1.00 0.00 H new ATOM 0 HA VAL A 73 4.659 -10.586 4.246 1.00 0.00 H new ATOM 0 HB VAL A 73 5.539 -9.226 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.077 -6.857 3.224 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.795 -7.935 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.994 -7.261 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.411 -7.652 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.457 -8.101 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.839 -9.313 3.529 1.00 0.00 H new ATOM 1127 N ARG A 74 7.602 -10.326 5.693 1.00 0.00 N ATOM 1128 CA ARG A 74 8.803 -11.070 6.027 1.00 0.00 C ATOM 1129 C ARG A 74 8.458 -12.531 6.323 1.00 0.00 C ATOM 1130 O ARG A 74 9.269 -13.425 6.086 1.00 0.00 O ATOM 1131 CB ARG A 74 9.507 -10.464 7.243 1.00 0.00 C ATOM 1132 CG ARG A 74 9.876 -9.000 6.990 1.00 0.00 C ATOM 1133 CD ARG A 74 10.211 -8.768 5.515 1.00 0.00 C ATOM 1134 NE ARG A 74 11.339 -9.635 5.109 1.00 0.00 N ATOM 1135 CZ ARG A 74 11.737 -9.806 3.841 1.00 0.00 C ATOM 1136 NH1 ARG A 74 11.102 -9.169 2.848 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.770 -10.614 3.566 1.00 0.00 N ATOM 0 H ARG A 74 7.577 -9.373 6.055 1.00 0.00 H new ATOM 0 HA ARG A 74 9.474 -11.018 5.169 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.858 -10.534 8.116 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.407 -11.036 7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.047 -8.356 7.284 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.730 -8.724 7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.338 -8.980 4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.469 -7.722 5.353 1.00 0.00 H new ATOM 0 HE ARG A 74 11.846 -10.134 5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.316 -8.554 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.405 -9.299 1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.253 -11.099 4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.073 -10.744 2.601 1.00 0.00 H new ATOM 1151 N ALA A 75 7.252 -12.729 6.837 1.00 0.00 N ATOM 1152 CA ALA A 75 6.790 -14.065 7.168 1.00 0.00 C ATOM 1153 C ALA A 75 6.253 -14.742 5.905 1.00 0.00 C ATOM 1154 O ALA A 75 6.642 -15.863 5.583 1.00 0.00 O ATOM 1155 CB ALA A 75 5.739 -13.982 8.276 1.00 0.00 C ATOM 0 H ALA A 75 6.582 -11.985 7.032 1.00 0.00 H new ATOM 0 HA ALA A 75 7.613 -14.673 7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.392 -14.985 8.524 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.178 -13.521 9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.896 -13.381 7.934 1.00 0.00 H new ATOM 1161 N ASN A 76 5.367 -14.031 5.223 1.00 0.00 N ATOM 1162 CA ASN A 76 4.772 -14.548 4.002 1.00 0.00 C ATOM 1163 C ASN A 76 5.486 -13.938 2.794 1.00 0.00 C ATOM 1164 O ASN A 76 5.564 -12.718 2.666 1.00 0.00 O ATOM 1165 CB ASN A 76 3.290 -14.179 3.911 1.00 0.00 C ATOM 1166 CG ASN A 76 2.417 -15.432 3.828 1.00 0.00 C ATOM 1167 OD1 ASN A 76 2.601 -16.398 4.551 1.00 0.00 O ATOM 1168 ND2 ASN A 76 1.458 -15.364 2.909 1.00 0.00 N ATOM 0 H ASN A 76 5.047 -13.101 5.493 1.00 0.00 H new ATOM 0 HA ASN A 76 4.873 -15.633 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.004 -13.589 4.782 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.120 -13.554 3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.822 -16.150 2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.359 -14.526 2.337 1.00 0.00 H new ATOM 1175 N PRO A 77 6.002 -14.839 1.915 1.00 0.00 N ATOM 1176 CA PRO A 77 6.707 -14.403 0.723 1.00 0.00 C ATOM 1177 C PRO A 77 5.728 -13.883 -0.332 1.00 0.00 C ATOM 1178 O PRO A 77 6.135 -13.231 -1.294 1.00 0.00 O ATOM 1179 CB PRO A 77 7.489 -15.621 0.259 1.00 0.00 C ATOM 1180 CG PRO A 77 6.835 -16.816 0.933 1.00 0.00 C ATOM 1181 CD PRO A 77 5.929 -16.293 2.035 1.00 0.00 C ATOM 0 HA PRO A 77 7.378 -13.566 0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.455 -15.717 -0.826 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.539 -15.541 0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.261 -17.395 0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.592 -17.483 1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.907 -16.650 1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.266 -16.627 3.016 1.00 0.00 H new ATOM 1189 N ALA A 78 4.458 -14.191 -0.118 1.00 0.00 N ATOM 1190 CA ALA A 78 3.418 -13.763 -1.039 1.00 0.00 C ATOM 1191 C ALA A 78 3.342 -12.235 -1.042 1.00 0.00 C ATOM 1192 O ALA A 78 3.304 -11.613 -2.102 1.00 0.00 O ATOM 1193 CB ALA A 78 2.090 -14.412 -0.646 1.00 0.00 C ATOM 0 H ALA A 78 4.125 -14.732 0.680 1.00 0.00 H new ATOM 0 HA ALA A 78 3.650 -14.083 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.310 -14.091 -1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.189 -15.497 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.824 -14.111 0.367 1.00 0.00 H new ATOM 1199 N THR A 79 3.323 -11.673 0.158 1.00 0.00 N ATOM 1200 CA THR A 79 3.253 -10.229 0.307 1.00 0.00 C ATOM 1201 C THR A 79 4.658 -9.625 0.316 1.00 0.00 C ATOM 1202 O THR A 79 4.832 -8.446 0.012 1.00 0.00 O ATOM 1203 CB THR A 79 2.452 -9.925 1.575 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.954 -8.662 2.007 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.791 -10.874 2.726 1.00 0.00 C ATOM 0 H THR A 79 3.355 -12.191 1.036 1.00 0.00 H new ATOM 0 HA THR A 79 2.741 -9.767 -0.538 1.00 0.00 H new ATOM 0 HB THR A 79 1.386 -9.990 1.355 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.246 -8.171 2.473 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.194 -10.613 3.600 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.571 -11.899 2.429 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.850 -10.786 2.970 1.00 0.00 H new ATOM 1213 N LYS A 80 5.625 -10.460 0.669 1.00 0.00 N ATOM 1214 CA LYS A 80 7.010 -10.022 0.722 1.00 0.00 C ATOM 1215 C LYS A 80 7.434 -9.521 -0.660 1.00 0.00 C ATOM 1216 O LYS A 80 8.416 -8.791 -0.785 1.00 0.00 O ATOM 1217 CB LYS A 80 7.902 -11.136 1.273 1.00 0.00 C ATOM 1218 CG LYS A 80 8.659 -11.840 0.146 1.00 0.00 C ATOM 1219 CD LYS A 80 9.809 -10.971 -0.370 1.00 0.00 C ATOM 1220 CE LYS A 80 11.123 -11.754 -0.387 1.00 0.00 C ATOM 1221 NZ LYS A 80 11.519 -12.073 -1.777 1.00 0.00 N ATOM 0 H LYS A 80 5.477 -11.437 0.921 1.00 0.00 H new ATOM 0 HA LYS A 80 7.120 -9.186 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.612 -10.719 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.293 -11.860 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.051 -12.792 0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.974 -12.066 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.579 -10.617 -1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.915 -10.089 0.262 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.907 -11.171 0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.012 -12.675 0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.413 -12.605 -1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.778 -12.648 -2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.645 -11.191 -2.313 1.00 0.00 H new ATOM 1235 N LYS A 81 6.673 -9.933 -1.664 1.00 0.00 N ATOM 1236 CA LYS A 81 6.958 -9.534 -3.032 1.00 0.00 C ATOM 1237 C LYS A 81 5.971 -8.446 -3.457 1.00 0.00 C ATOM 1238 O LYS A 81 6.064 -7.917 -4.565 1.00 0.00 O ATOM 1239 CB LYS A 81 6.963 -10.755 -3.955 1.00 0.00 C ATOM 1240 CG LYS A 81 5.593 -10.955 -4.606 1.00 0.00 C ATOM 1241 CD LYS A 81 5.270 -12.443 -4.756 1.00 0.00 C ATOM 1242 CE LYS A 81 3.771 -12.660 -4.974 1.00 0.00 C ATOM 1243 NZ LYS A 81 3.487 -12.921 -6.402 1.00 0.00 N ATOM 0 H LYS A 81 5.860 -10.539 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 81 7.957 -9.104 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.722 -10.629 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.233 -11.645 -3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.825 -10.472 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.578 -10.475 -5.585 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.827 -12.857 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.593 -12.980 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.428 -13.500 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.218 -11.781 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.465 -13.066 -6.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.797 -12.108 -6.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.999 -13.773 -6.708 1.00 0.00 H new ATOM 1257 N ALA A 82 5.049 -8.141 -2.556 1.00 0.00 N ATOM 1258 CA ALA A 82 4.047 -7.124 -2.824 1.00 0.00 C ATOM 1259 C ALA A 82 4.493 -5.799 -2.205 1.00 0.00 C ATOM 1260 O ALA A 82 5.272 -5.785 -1.252 1.00 0.00 O ATOM 1261 CB ALA A 82 2.691 -7.591 -2.289 1.00 0.00 C ATOM 0 H ALA A 82 4.975 -8.581 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 82 3.938 -6.966 -3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.938 -6.828 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.406 -8.521 -2.782 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.762 -7.757 -1.214 1.00 0.00 H new ATOM 1267 N ALA A 83 3.981 -4.716 -2.771 1.00 0.00 N ATOM 1268 CA ALA A 83 4.318 -3.388 -2.287 1.00 0.00 C ATOM 1269 C ALA A 83 3.217 -2.901 -1.341 1.00 0.00 C ATOM 1270 O ALA A 83 2.172 -3.537 -1.219 1.00 0.00 O ATOM 1271 CB ALA A 83 4.522 -2.448 -3.477 1.00 0.00 C ATOM 0 H ALA A 83 3.335 -4.731 -3.560 1.00 0.00 H new ATOM 0 HA ALA A 83 5.251 -3.409 -1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.775 -1.452 -3.114 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.332 -2.823 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.604 -2.399 -4.063 1.00 0.00 H new ATOM 1277 N PHE A 84 3.491 -1.775 -0.697 1.00 0.00 N ATOM 1278 CA PHE A 84 2.537 -1.195 0.233 1.00 0.00 C ATOM 1279 C PHE A 84 2.688 0.326 0.297 1.00 0.00 C ATOM 1280 O PHE A 84 3.803 0.840 0.377 1.00 0.00 O ATOM 1281 CB PHE A 84 2.843 -1.784 1.613 1.00 0.00 C ATOM 1282 CG PHE A 84 3.763 -3.007 1.576 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.274 -4.214 1.187 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.069 -2.886 1.935 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.127 -5.349 1.153 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.923 -4.021 1.903 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.433 -5.228 1.512 1.00 0.00 C ATOM 0 H PHE A 84 4.359 -1.250 -0.801 1.00 0.00 H new ATOM 0 HA PHE A 84 1.520 -1.419 -0.090 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.304 -1.014 2.232 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.905 -2.061 2.095 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.236 -4.310 0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.457 -1.927 2.245 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.739 -6.308 0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.960 -3.925 2.189 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.082 -6.091 1.487 1.00 0.00 H new ATOM 1297 N ILE A 85 1.551 1.004 0.258 1.00 0.00 N ATOM 1298 CA ILE A 85 1.542 2.456 0.309 1.00 0.00 C ATOM 1299 C ILE A 85 0.981 2.910 1.658 1.00 0.00 C ATOM 1300 O ILE A 85 -0.081 2.452 2.079 1.00 0.00 O ATOM 1301 CB ILE A 85 0.794 3.030 -0.895 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.268 2.382 -2.197 1.00 0.00 C ATOM 1303 CG2 ILE A 85 0.911 4.555 -0.938 1.00 0.00 C ATOM 1304 CD1 ILE A 85 0.564 3.001 -3.406 1.00 0.00 C ATOM 0 H ILE A 85 0.628 0.574 0.192 1.00 0.00 H new ATOM 0 HA ILE A 85 2.557 2.847 0.238 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.264 2.791 -0.784 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.346 2.505 -2.297 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.071 1.310 -2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.370 4.937 -1.804 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.485 4.978 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.961 4.837 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.919 2.522 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.512 2.854 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.783 4.068 -3.447 1.00 0.00 H new ATOM 1316 N ILE A 86 1.718 3.807 2.297 1.00 0.00 N ATOM 1317 CA ILE A 86 1.307 4.328 3.590 1.00 0.00 C ATOM 1318 C ILE A 86 1.324 5.858 3.546 1.00 0.00 C ATOM 1319 O ILE A 86 2.390 6.470 3.514 1.00 0.00 O ATOM 1320 CB ILE A 86 2.169 3.736 4.705 1.00 0.00 C ATOM 1321 CG1 ILE A 86 2.905 2.484 4.224 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.333 3.463 5.958 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.926 1.337 3.968 1.00 0.00 C ATOM 0 H ILE A 86 2.597 4.186 1.944 1.00 0.00 H new ATOM 0 HA ILE A 86 0.284 4.025 3.815 1.00 0.00 H new ATOM 0 HB ILE A 86 2.927 4.471 4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.454 2.709 3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.639 2.180 4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.970 3.042 6.736 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.894 4.396 6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.538 2.757 5.718 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.475 0.459 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.396 1.098 4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.208 1.635 3.204 1.00 0.00 H new ATOM 1335 N LEU A 87 0.129 6.432 3.545 1.00 0.00 N ATOM 1336 CA LEU A 87 -0.007 7.877 3.506 1.00 0.00 C ATOM 1337 C LEU A 87 -0.931 8.330 4.638 1.00 0.00 C ATOM 1338 O LEU A 87 -1.625 7.513 5.242 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.465 8.335 2.120 1.00 0.00 C ATOM 1340 CG LEU A 87 -1.977 8.436 1.912 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.661 7.098 2.198 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.570 9.573 2.748 1.00 0.00 C ATOM 0 H LEU A 87 -0.754 5.921 3.571 1.00 0.00 H new ATOM 0 HA LEU A 87 0.959 8.354 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.025 9.311 1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.062 7.644 1.379 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.163 8.675 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.735 7.198 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.266 6.336 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.470 6.805 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.646 9.624 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.374 9.389 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.113 10.518 2.454 1.00 0.00 H new ATOM 1354 N THR A 88 -0.909 9.630 4.893 1.00 0.00 N ATOM 1355 CA THR A 88 -1.737 10.200 5.943 1.00 0.00 C ATOM 1356 C THR A 88 -2.328 11.537 5.488 1.00 0.00 C ATOM 1357 O THR A 88 -1.999 12.031 4.411 1.00 0.00 O ATOM 1358 CB THR A 88 -0.885 10.311 7.208 1.00 0.00 C ATOM 1359 OG1 THR A 88 -1.584 11.253 8.016 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.469 10.978 6.947 1.00 0.00 C ATOM 0 H THR A 88 -0.331 10.305 4.391 1.00 0.00 H new ATOM 0 HA THR A 88 -2.592 9.561 6.165 1.00 0.00 H new ATOM 0 HB THR A 88 -0.726 9.317 7.626 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.302 10.797 8.502 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.034 11.032 7.878 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.028 10.393 6.217 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.310 11.985 6.561 1.00 0.00 H new ATOM 1368 N ALA A 89 -3.190 12.083 6.334 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.830 13.353 6.033 1.00 0.00 C ATOM 1370 C ALA A 89 -2.759 14.436 5.885 1.00 0.00 C ATOM 1371 O ALA A 89 -3.038 15.524 5.383 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.846 13.684 7.127 1.00 0.00 C ATOM 0 H ALA A 89 -3.460 11.670 7.227 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.373 13.295 5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.326 14.636 6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.601 12.899 7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.336 13.753 8.088 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.557 14.100 6.329 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.443 15.031 6.251 1.00 0.00 C ATOM 1380 C GLN A 90 0.639 14.487 5.317 1.00 0.00 C ATOM 1381 O GLN A 90 0.643 14.788 4.125 1.00 0.00 O ATOM 1382 CB GLN A 90 0.127 15.320 7.642 1.00 0.00 C ATOM 1383 CG GLN A 90 -0.796 16.252 8.430 1.00 0.00 C ATOM 1384 CD GLN A 90 -0.027 17.464 8.960 1.00 0.00 C ATOM 1385 OE1 GLN A 90 1.179 17.436 9.143 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -0.790 18.527 9.194 1.00 0.00 N ATOM 0 H GLN A 90 -1.330 13.196 6.744 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.809 15.972 5.841 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.257 14.385 8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.114 15.774 7.548 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.613 16.586 7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.244 15.708 9.262 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.794 18.483 9.019 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.372 19.387 9.549 1.00 0.00 H new ATOM 1395 N GLY A 91 1.531 13.696 5.894 1.00 0.00 N ATOM 1396 CA GLY A 91 2.616 13.107 5.128 1.00 0.00 C ATOM 1397 C GLY A 91 3.797 12.752 6.033 1.00 0.00 C ATOM 1398 O GLY A 91 4.206 13.555 6.870 1.00 0.00 O ATOM 0 H GLY A 91 1.525 13.449 6.884 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.262 12.211 4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.942 13.805 4.356 1.00 0.00 H new ATOM 1402 N ASP A 92 4.313 11.547 5.834 1.00 0.00 N ATOM 1403 CA ASP A 92 5.439 11.076 6.622 1.00 0.00 C ATOM 1404 C ASP A 92 6.391 10.285 5.722 1.00 0.00 C ATOM 1405 O ASP A 92 6.382 9.055 5.733 1.00 0.00 O ATOM 1406 CB ASP A 92 4.974 10.150 7.748 1.00 0.00 C ATOM 1407 CG ASP A 92 4.083 10.810 8.802 1.00 0.00 C ATOM 1408 OD1 ASP A 92 4.631 11.614 9.586 1.00 0.00 O ATOM 1409 OD2 ASP A 92 2.874 10.495 8.799 1.00 0.00 O ATOM 0 H ASP A 92 3.972 10.883 5.139 1.00 0.00 H new ATOM 0 HA ASP A 92 5.937 11.945 7.052 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.432 9.313 7.309 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.852 9.736 8.244 1.00 0.00 H new ATOM 1414 N ARG A 93 7.188 11.024 4.964 1.00 0.00 N ATOM 1415 CA ARG A 93 8.143 10.408 4.059 1.00 0.00 C ATOM 1416 C ARG A 93 9.090 9.488 4.834 1.00 0.00 C ATOM 1417 O ARG A 93 9.462 8.421 4.346 1.00 0.00 O ATOM 1418 CB ARG A 93 8.963 11.467 3.319 1.00 0.00 C ATOM 1419 CG ARG A 93 8.203 12.000 2.105 1.00 0.00 C ATOM 1420 CD ARG A 93 8.923 13.202 1.490 1.00 0.00 C ATOM 1421 NE ARG A 93 8.515 14.445 2.181 1.00 0.00 N ATOM 1422 CZ ARG A 93 8.916 15.672 1.821 1.00 0.00 C ATOM 1423 NH1 ARG A 93 9.737 15.826 0.774 1.00 0.00 N ATOM 1424 NH2 ARG A 93 8.495 16.743 2.506 1.00 0.00 N ATOM 0 H ARG A 93 7.192 12.044 4.958 1.00 0.00 H new ATOM 0 HA ARG A 93 7.581 9.825 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.197 12.289 3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.912 11.038 2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.103 11.211 1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.194 12.288 2.401 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.002 13.070 1.569 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.688 13.273 0.428 1.00 0.00 H new ATOM 0 HE ARG A 93 7.889 14.363 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.056 15.010 0.252 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.043 16.759 0.499 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.869 16.625 3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.801 17.677 2.231 1.00 0.00 H new ATOM 1438 N ALA A 94 9.452 9.934 6.028 1.00 0.00 N ATOM 1439 CA ALA A 94 10.349 9.164 6.874 1.00 0.00 C ATOM 1440 C ALA A 94 9.672 7.848 7.261 1.00 0.00 C ATOM 1441 O ALA A 94 10.321 6.805 7.314 1.00 0.00 O ATOM 1442 CB ALA A 94 10.740 9.998 8.094 1.00 0.00 C ATOM 0 H ALA A 94 9.141 10.818 6.430 1.00 0.00 H new ATOM 0 HA ALA A 94 11.266 8.919 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.413 9.421 8.729 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.242 10.909 7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.845 10.260 8.658 1.00 0.00 H new ATOM 1448 N LEU A 95 8.376 7.940 7.519 1.00 0.00 N ATOM 1449 CA LEU A 95 7.604 6.769 7.900 1.00 0.00 C ATOM 1450 C LEU A 95 7.672 5.731 6.778 1.00 0.00 C ATOM 1451 O LEU A 95 7.933 4.555 7.028 1.00 0.00 O ATOM 1452 CB LEU A 95 6.177 7.168 8.282 1.00 0.00 C ATOM 1453 CG LEU A 95 6.002 7.783 9.672 1.00 0.00 C ATOM 1454 CD1 LEU A 95 5.639 6.715 10.704 1.00 0.00 C ATOM 1455 CD2 LEU A 95 7.246 8.575 10.081 1.00 0.00 C ATOM 0 H LEU A 95 7.841 8.807 7.472 1.00 0.00 H new ATOM 0 HA LEU A 95 8.030 6.306 8.790 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.810 7.880 7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.543 6.284 8.215 1.00 0.00 H new ATOM 0 HG LEU A 95 5.170 8.486 9.631 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.521 7.180 11.683 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.705 6.233 10.416 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.433 5.969 10.750 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.096 9.002 11.073 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.110 7.911 10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.419 9.377 9.363 1.00 0.00 H new ATOM 1467 N VAL A 96 7.433 6.204 5.563 1.00 0.00 N ATOM 1468 CA VAL A 96 7.465 5.332 4.401 1.00 0.00 C ATOM 1469 C VAL A 96 8.889 4.810 4.199 1.00 0.00 C ATOM 1470 O VAL A 96 9.127 3.605 4.263 1.00 0.00 O ATOM 1471 CB VAL A 96 6.920 6.071 3.178 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.706 5.702 1.918 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.426 5.797 2.992 1.00 0.00 C ATOM 0 H VAL A 96 7.216 7.180 5.358 1.00 0.00 H new ATOM 0 HA VAL A 96 6.821 4.466 4.555 1.00 0.00 H new ATOM 0 HB VAL A 96 7.046 7.140 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.298 6.241 1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.754 5.972 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.627 4.629 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.064 6.334 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.267 4.728 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.882 6.134 3.874 1.00 0.00 H new ATOM 1483 N GLN A 97 9.798 5.743 3.958 1.00 0.00 N ATOM 1484 CA GLN A 97 11.192 5.393 3.746 1.00 0.00 C ATOM 1485 C GLN A 97 11.678 4.455 4.853 1.00 0.00 C ATOM 1486 O GLN A 97 12.579 3.645 4.635 1.00 0.00 O ATOM 1487 CB GLN A 97 12.067 6.645 3.665 1.00 0.00 C ATOM 1488 CG GLN A 97 11.770 7.440 2.392 1.00 0.00 C ATOM 1489 CD GLN A 97 13.051 7.696 1.595 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.410 8.822 1.292 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.718 6.591 1.274 1.00 0.00 N ATOM 0 H GLN A 97 9.596 6.741 3.905 1.00 0.00 H new ATOM 0 HA GLN A 97 11.274 4.872 2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.892 7.272 4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.119 6.360 3.683 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.057 6.893 1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.303 8.390 2.653 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.361 5.679 1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.586 6.656 0.742 1.00 0.00 H new ATOM 1500 N LYS A 98 11.060 4.595 6.017 1.00 0.00 N ATOM 1501 CA LYS A 98 11.418 3.770 7.158 1.00 0.00 C ATOM 1502 C LYS A 98 10.983 2.327 6.897 1.00 0.00 C ATOM 1503 O LYS A 98 11.766 1.396 7.075 1.00 0.00 O ATOM 1504 CB LYS A 98 10.844 4.362 8.447 1.00 0.00 C ATOM 1505 CG LYS A 98 11.804 5.387 9.054 1.00 0.00 C ATOM 1506 CD LYS A 98 11.066 6.331 10.007 1.00 0.00 C ATOM 1507 CE LYS A 98 11.939 6.685 11.213 1.00 0.00 C ATOM 1508 NZ LYS A 98 11.295 6.238 12.468 1.00 0.00 N ATOM 0 H LYS A 98 10.314 5.267 6.194 1.00 0.00 H new ATOM 0 HA LYS A 98 12.499 3.756 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.885 4.836 8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.656 3.564 9.166 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.600 4.872 9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.277 5.963 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.785 7.241 9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.143 5.862 10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.917 6.215 11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.105 7.762 11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.901 6.486 13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.372 6.706 12.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.159 5.207 12.441 1.00 0.00 H new ATOM 1522 N ALA A 99 9.735 2.187 6.477 1.00 0.00 N ATOM 1523 CA ALA A 99 9.185 0.872 6.188 1.00 0.00 C ATOM 1524 C ALA A 99 10.060 0.177 5.144 1.00 0.00 C ATOM 1525 O ALA A 99 10.513 -0.947 5.358 1.00 0.00 O ATOM 1526 CB ALA A 99 7.732 1.015 5.730 1.00 0.00 C ATOM 0 H ALA A 99 9.088 2.962 6.330 1.00 0.00 H new ATOM 0 HA ALA A 99 9.184 0.251 7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.320 0.029 5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.147 1.488 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.693 1.630 4.831 1.00 0.00 H new ATOM 1532 N ALA A 100 10.272 0.873 4.037 1.00 0.00 N ATOM 1533 CA ALA A 100 11.086 0.336 2.960 1.00 0.00 C ATOM 1534 C ALA A 100 12.445 -0.091 3.516 1.00 0.00 C ATOM 1535 O ALA A 100 12.910 -1.199 3.250 1.00 0.00 O ATOM 1536 CB ALA A 100 11.212 1.378 1.847 1.00 0.00 C ATOM 0 H ALA A 100 9.894 1.804 3.863 1.00 0.00 H new ATOM 0 HA ALA A 100 10.616 -0.547 2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.823 0.975 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.221 1.624 1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.682 2.278 2.243 1.00 0.00 H new ATOM 1542 N ALA A 101 13.046 0.810 4.280 1.00 0.00 N ATOM 1543 CA ALA A 101 14.342 0.540 4.877 1.00 0.00 C ATOM 1544 C ALA A 101 14.218 -0.636 5.847 1.00 0.00 C ATOM 1545 O ALA A 101 15.047 -1.544 5.837 1.00 0.00 O ATOM 1546 CB ALA A 101 14.864 1.806 5.559 1.00 0.00 C ATOM 0 H ALA A 101 12.659 1.728 4.499 1.00 0.00 H new ATOM 0 HA ALA A 101 15.066 0.260 4.111 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.837 1.603 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.963 2.602 4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.164 2.116 6.335 1.00 0.00 H new ATOM 1552 N LEU A 102 13.175 -0.581 6.663 1.00 0.00 N ATOM 1553 CA LEU A 102 12.932 -1.630 7.639 1.00 0.00 C ATOM 1554 C LEU A 102 13.226 -2.990 7.003 1.00 0.00 C ATOM 1555 O LEU A 102 14.002 -3.777 7.543 1.00 0.00 O ATOM 1556 CB LEU A 102 11.518 -1.512 8.211 1.00 0.00 C ATOM 1557 CG LEU A 102 11.254 -0.297 9.102 1.00 0.00 C ATOM 1558 CD1 LEU A 102 10.564 -0.711 10.403 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.544 0.485 9.360 1.00 0.00 C ATOM 0 H LEU A 102 12.489 0.174 6.668 1.00 0.00 H new ATOM 0 HA LEU A 102 13.605 -1.523 8.489 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.812 -1.489 7.381 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.304 -2.413 8.786 1.00 0.00 H new ATOM 0 HG LEU A 102 10.573 0.371 8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.388 0.171 11.018 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.612 -1.189 10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.200 -1.410 10.946 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.328 1.344 9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.268 -0.161 9.856 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.956 0.830 8.412 1.00 0.00 H new ATOM 1571 N GLY A 103 12.592 -3.224 5.863 1.00 0.00 N ATOM 1572 CA GLY A 103 12.777 -4.475 5.147 1.00 0.00 C ATOM 1573 C GLY A 103 11.541 -4.816 4.312 1.00 0.00 C ATOM 1574 O GLY A 103 11.144 -5.977 4.228 1.00 0.00 O ATOM 0 H GLY A 103 11.950 -2.569 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.650 -4.401 4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.974 -5.279 5.856 1.00 0.00 H new ATOM 1578 N ALA A 104 10.967 -3.782 3.713 1.00 0.00 N ATOM 1579 CA ALA A 104 9.785 -3.957 2.887 1.00 0.00 C ATOM 1580 C ALA A 104 10.208 -4.117 1.426 1.00 0.00 C ATOM 1581 O ALA A 104 11.298 -3.694 1.042 1.00 0.00 O ATOM 1582 CB ALA A 104 8.838 -2.774 3.094 1.00 0.00 C ATOM 0 H ALA A 104 11.299 -2.820 3.784 1.00 0.00 H new ATOM 0 HA ALA A 104 9.246 -4.860 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.951 -2.905 2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.544 -2.723 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.343 -1.850 2.813 1.00 0.00 H new ATOM 1588 N ASN A 105 9.326 -4.728 0.650 1.00 0.00 N ATOM 1589 CA ASN A 105 9.594 -4.949 -0.761 1.00 0.00 C ATOM 1590 C ASN A 105 9.544 -3.610 -1.501 1.00 0.00 C ATOM 1591 O ASN A 105 10.467 -3.270 -2.240 1.00 0.00 O ATOM 1592 CB ASN A 105 8.545 -5.872 -1.384 1.00 0.00 C ATOM 1593 CG ASN A 105 9.096 -6.563 -2.633 1.00 0.00 C ATOM 1594 OD1 ASN A 105 8.540 -6.480 -3.716 1.00 0.00 O ATOM 1595 ND2 ASN A 105 10.216 -7.250 -2.422 1.00 0.00 N ATOM 0 H ASN A 105 8.423 -5.078 0.972 1.00 0.00 H new ATOM 0 HA ASN A 105 10.578 -5.410 -0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.236 -6.622 -0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.657 -5.296 -1.644 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.661 -7.748 -3.192 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.629 -7.278 -1.490 1.00 0.00 H new ATOM 1602 N ASN A 106 8.458 -2.886 -1.275 1.00 0.00 N ATOM 1603 CA ASN A 106 8.276 -1.592 -1.911 1.00 0.00 C ATOM 1604 C ASN A 106 7.155 -0.832 -1.199 1.00 0.00 C ATOM 1605 O ASN A 106 6.001 -1.256 -1.221 1.00 0.00 O ATOM 1606 CB ASN A 106 7.879 -1.751 -3.380 1.00 0.00 C ATOM 1607 CG ASN A 106 8.761 -2.790 -4.077 1.00 0.00 C ATOM 1608 OD1 ASN A 106 9.827 -2.491 -4.591 1.00 0.00 O ATOM 1609 ND2 ASN A 106 8.260 -4.021 -4.065 1.00 0.00 N ATOM 0 H ASN A 106 7.695 -3.171 -0.661 1.00 0.00 H new ATOM 0 HA ASN A 106 9.220 -1.050 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.834 -2.052 -3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 106 7.968 -0.792 -3.890 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.774 -4.785 -4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.362 -4.202 -3.617 1.00 0.00 H new ATOM 1616 N VAL A 107 7.535 0.278 -0.584 1.00 0.00 N ATOM 1617 CA VAL A 107 6.576 1.101 0.134 1.00 0.00 C ATOM 1618 C VAL A 107 6.680 2.546 -0.360 1.00 0.00 C ATOM 1619 O VAL A 107 7.774 3.104 -0.434 1.00 0.00 O ATOM 1620 CB VAL A 107 6.798 0.969 1.642 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.217 1.395 2.028 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.754 1.769 2.422 1.00 0.00 C ATOM 0 H VAL A 107 8.493 0.627 -0.568 1.00 0.00 H new ATOM 0 HA VAL A 107 5.559 0.761 -0.063 1.00 0.00 H new ATOM 0 HB VAL A 107 6.681 -0.082 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.348 1.291 3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.940 0.763 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.375 2.435 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.935 1.658 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.824 2.822 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.758 1.398 2.182 1.00 0.00 H new ATOM 1632 N LEU A 108 5.526 3.110 -0.687 1.00 0.00 N ATOM 1633 CA LEU A 108 5.474 4.479 -1.172 1.00 0.00 C ATOM 1634 C LEU A 108 4.525 5.292 -0.290 1.00 0.00 C ATOM 1635 O LEU A 108 3.546 4.759 0.231 1.00 0.00 O ATOM 1636 CB LEU A 108 5.109 4.507 -2.658 1.00 0.00 C ATOM 1637 CG LEU A 108 6.244 4.190 -3.633 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.531 4.910 -3.229 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.449 2.680 -3.765 1.00 0.00 C ATOM 0 H LEU A 108 4.621 2.644 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 108 6.456 4.947 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.302 3.794 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.717 5.496 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 108 5.962 4.563 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.322 4.667 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.361 5.987 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.829 4.590 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.262 2.483 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.699 2.260 -2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.533 2.219 -4.135 1.00 0.00 H new ATOM 1651 N ALA A 109 4.847 6.569 -0.150 1.00 0.00 N ATOM 1652 CA ALA A 109 4.035 7.461 0.660 1.00 0.00 C ATOM 1653 C ALA A 109 3.196 8.354 -0.257 1.00 0.00 C ATOM 1654 O ALA A 109 3.383 8.351 -1.472 1.00 0.00 O ATOM 1655 CB ALA A 109 4.939 8.268 1.593 1.00 0.00 C ATOM 0 H ALA A 109 5.659 7.008 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 109 3.347 6.892 1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.330 8.937 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.490 7.589 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.642 8.854 1.001 1.00 0.00 H new ATOM 1661 N LYS A 110 2.291 9.098 0.362 1.00 0.00 N ATOM 1662 CA LYS A 110 1.424 9.994 -0.383 1.00 0.00 C ATOM 1663 C LYS A 110 1.328 11.333 0.352 1.00 0.00 C ATOM 1664 O LYS A 110 0.253 11.721 0.805 1.00 0.00 O ATOM 1665 CB LYS A 110 0.066 9.337 -0.641 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.434 9.645 -2.053 1.00 0.00 C ATOM 1667 CD LYS A 110 -1.830 10.271 -2.015 1.00 0.00 C ATOM 1668 CE LYS A 110 -1.800 11.710 -2.534 1.00 0.00 C ATOM 1669 NZ LYS A 110 -2.869 12.511 -1.898 1.00 0.00 N ATOM 0 H LYS A 110 2.140 9.098 1.371 1.00 0.00 H new ATOM 0 HA LYS A 110 1.845 10.198 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.149 8.258 -0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.659 9.693 0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.260 10.324 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.458 8.728 -2.642 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.515 9.677 -2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.211 10.257 -0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.828 12.158 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.928 11.716 -3.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.835 13.485 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.795 12.091 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.729 12.520 -0.867 1.00 0.00 H new ATOM 1683 N PRO A 111 2.498 12.020 0.450 1.00 0.00 N ATOM 1684 CA PRO A 111 2.556 13.306 1.122 1.00 0.00 C ATOM 1685 C PRO A 111 1.944 14.407 0.254 1.00 0.00 C ATOM 1686 O PRO A 111 1.185 14.122 -0.672 1.00 0.00 O ATOM 1687 CB PRO A 111 4.032 13.531 1.412 1.00 0.00 C ATOM 1688 CG PRO A 111 4.787 12.592 0.487 1.00 0.00 C ATOM 1689 CD PRO A 111 3.791 11.590 -0.075 1.00 0.00 C ATOM 0 HA PRO A 111 1.974 13.326 2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.312 14.568 1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.262 13.319 2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.262 13.151 -0.319 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.581 12.078 1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.797 11.594 -1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.029 10.575 0.241 1.00 0.00 H new ATOM 1697 N PHE A 112 2.295 15.642 0.584 1.00 0.00 N ATOM 1698 CA PHE A 112 1.788 16.786 -0.155 1.00 0.00 C ATOM 1699 C PHE A 112 2.743 17.175 -1.284 1.00 0.00 C ATOM 1700 O PHE A 112 2.691 18.297 -1.787 1.00 0.00 O ATOM 1701 CB PHE A 112 1.688 17.948 0.836 1.00 0.00 C ATOM 1702 CG PHE A 112 0.293 18.136 1.435 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -0.663 18.802 0.734 1.00 0.00 C ATOM 1704 CD2 PHE A 112 0.010 17.638 2.668 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -1.958 18.977 1.291 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -1.285 17.813 3.225 1.00 0.00 C ATOM 1707 CZ PHE A 112 -2.242 18.479 2.524 1.00 0.00 C ATOM 0 H PHE A 112 2.924 15.875 1.353 1.00 0.00 H new ATOM 0 HA PHE A 112 0.822 16.545 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.401 17.785 1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.983 18.868 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.438 19.198 -0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.770 17.109 3.224 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.718 19.506 0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.510 17.418 4.205 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.227 18.612 2.947 1.00 0.00 H new ATOM 1717 N THR A 113 3.592 16.228 -1.652 1.00 0.00 N ATOM 1718 CA THR A 113 4.558 16.457 -2.713 1.00 0.00 C ATOM 1719 C THR A 113 4.365 15.440 -3.839 1.00 0.00 C ATOM 1720 O THR A 113 4.864 14.318 -3.760 1.00 0.00 O ATOM 1721 CB THR A 113 5.957 16.421 -2.096 1.00 0.00 C ATOM 1722 OG1 THR A 113 6.824 16.232 -3.212 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.185 15.180 -1.232 1.00 0.00 C ATOM 0 H THR A 113 3.631 15.299 -1.234 1.00 0.00 H new ATOM 0 HA THR A 113 4.415 17.435 -3.172 1.00 0.00 H new ATOM 0 HB THR A 113 6.110 17.316 -1.492 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.753 16.199 -2.902 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.193 15.205 -0.819 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.460 15.165 -0.419 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.065 14.285 -1.842 1.00 0.00 H new ATOM 1731 N ILE A 114 3.638 15.868 -4.861 1.00 0.00 N ATOM 1732 CA ILE A 114 3.372 15.007 -6.002 1.00 0.00 C ATOM 1733 C ILE A 114 4.692 14.430 -6.519 1.00 0.00 C ATOM 1734 O ILE A 114 4.711 13.354 -7.114 1.00 0.00 O ATOM 1735 CB ILE A 114 2.573 15.761 -7.067 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.406 16.887 -7.683 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.249 16.274 -6.498 1.00 0.00 C ATOM 1738 CD1 ILE A 114 3.740 16.584 -9.145 1.00 0.00 C ATOM 0 H ILE A 114 3.225 16.799 -4.923 1.00 0.00 H new ATOM 0 HA ILE A 114 2.749 14.163 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 114 2.331 15.064 -7.869 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.858 17.827 -7.619 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.327 17.016 -7.115 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.701 16.806 -7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.654 15.432 -6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.448 16.950 -5.667 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.332 17.400 -9.559 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.309 15.656 -9.203 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.817 16.480 -9.715 1.00 0.00 H new ATOM 1750 N GLU A 115 5.762 15.172 -6.272 1.00 0.00 N ATOM 1751 CA GLU A 115 7.083 14.746 -6.705 1.00 0.00 C ATOM 1752 C GLU A 115 7.487 13.457 -5.986 1.00 0.00 C ATOM 1753 O GLU A 115 8.074 12.562 -6.593 1.00 0.00 O ATOM 1754 CB GLU A 115 8.116 15.850 -6.474 1.00 0.00 C ATOM 1755 CG GLU A 115 9.500 15.416 -6.962 1.00 0.00 C ATOM 1756 CD GLU A 115 10.464 16.604 -7.003 1.00 0.00 C ATOM 1757 OE1 GLU A 115 10.448 17.312 -8.033 1.00 0.00 O ATOM 1758 OE2 GLU A 115 11.195 16.775 -6.004 1.00 0.00 O ATOM 0 H GLU A 115 5.742 16.064 -5.778 1.00 0.00 H new ATOM 0 HA GLU A 115 7.047 14.545 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.809 16.755 -6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.161 16.095 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.896 14.644 -6.303 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.418 14.975 -7.956 1.00 0.00 H new ATOM 1765 N LYS A 116 7.157 13.403 -4.705 1.00 0.00 N ATOM 1766 CA LYS A 116 7.478 12.238 -3.898 1.00 0.00 C ATOM 1767 C LYS A 116 6.519 11.100 -4.249 1.00 0.00 C ATOM 1768 O LYS A 116 6.951 10.020 -4.650 1.00 0.00 O ATOM 1769 CB LYS A 116 7.484 12.601 -2.411 1.00 0.00 C ATOM 1770 CG LYS A 116 8.536 11.791 -1.653 1.00 0.00 C ATOM 1771 CD LYS A 116 9.865 12.547 -1.580 1.00 0.00 C ATOM 1772 CE LYS A 116 10.889 11.951 -2.549 1.00 0.00 C ATOM 1773 NZ LYS A 116 12.180 11.727 -1.861 1.00 0.00 N ATOM 0 H LYS A 116 6.670 14.147 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 116 8.485 11.886 -4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.686 13.666 -2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.499 12.414 -1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.179 11.578 -0.645 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.686 10.831 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.703 13.598 -1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.255 12.507 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.515 11.009 -2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.032 12.623 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.865 11.322 -2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.543 12.632 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.041 11.069 -1.068 1.00 0.00 H new ATOM 1787 N MET A 117 5.233 11.379 -4.085 1.00 0.00 N ATOM 1788 CA MET A 117 4.209 10.391 -4.379 1.00 0.00 C ATOM 1789 C MET A 117 4.339 9.879 -5.815 1.00 0.00 C ATOM 1790 O MET A 117 4.406 8.672 -6.044 1.00 0.00 O ATOM 1791 CB MET A 117 2.826 11.015 -4.182 1.00 0.00 C ATOM 1792 CG MET A 117 1.721 10.039 -4.589 1.00 0.00 C ATOM 1793 SD MET A 117 0.249 10.938 -5.047 1.00 0.00 S ATOM 1794 CE MET A 117 -0.740 9.603 -5.699 1.00 0.00 C ATOM 0 H MET A 117 4.878 12.275 -3.752 1.00 0.00 H new ATOM 0 HA MET A 117 4.337 9.548 -3.699 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.697 11.301 -3.138 1.00 0.00 H new ATOM 0 HB3 MET A 117 2.747 11.927 -4.774 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.057 9.425 -5.425 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.501 9.361 -3.764 1.00 0.00 H new ATOM 0 HE1 MET A 117 -1.733 9.975 -5.951 1.00 0.00 H new ATOM 0 HE2 MET A 117 -0.265 9.202 -6.594 1.00 0.00 H new ATOM 0 HE3 MET A 117 -0.827 8.815 -4.950 1.00 0.00 H new ATOM 1804 N LYS A 118 4.369 10.821 -6.746 1.00 0.00 N ATOM 1805 CA LYS A 118 4.489 10.480 -8.153 1.00 0.00 C ATOM 1806 C LYS A 118 5.770 9.672 -8.371 1.00 0.00 C ATOM 1807 O LYS A 118 5.720 8.540 -8.846 1.00 0.00 O ATOM 1808 CB LYS A 118 4.401 11.738 -9.019 1.00 0.00 C ATOM 1809 CG LYS A 118 4.172 11.378 -10.488 1.00 0.00 C ATOM 1810 CD LYS A 118 4.633 12.511 -11.408 1.00 0.00 C ATOM 1811 CE LYS A 118 6.079 12.297 -11.859 1.00 0.00 C ATOM 1812 NZ LYS A 118 6.679 13.577 -12.298 1.00 0.00 N ATOM 0 H LYS A 118 4.312 11.821 -6.553 1.00 0.00 H new ATOM 0 HA LYS A 118 3.657 9.848 -8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.587 12.371 -8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.320 12.316 -8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 118 4.714 10.464 -10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.114 11.176 -10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 118 3.981 12.565 -12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.548 13.465 -10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.663 11.876 -11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.109 11.575 -12.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.661 13.414 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.131 13.963 -13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.668 14.254 -11.509 1.00 0.00 H new ATOM 1826 N ALA A 119 6.888 10.287 -8.011 1.00 0.00 N ATOM 1827 CA ALA A 119 8.179 9.640 -8.160 1.00 0.00 C ATOM 1828 C ALA A 119 8.164 8.304 -7.416 1.00 0.00 C ATOM 1829 O ALA A 119 8.773 7.333 -7.863 1.00 0.00 O ATOM 1830 CB ALA A 119 9.281 10.576 -7.657 1.00 0.00 C ATOM 0 H ALA A 119 6.925 11.227 -7.616 1.00 0.00 H new ATOM 0 HA ALA A 119 8.384 9.430 -9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.250 10.090 -7.769 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.268 11.498 -8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.110 10.807 -6.606 1.00 0.00 H new ATOM 1836 N ALA A 120 7.463 8.297 -6.291 1.00 0.00 N ATOM 1837 CA ALA A 120 7.361 7.096 -5.480 1.00 0.00 C ATOM 1838 C ALA A 120 6.823 5.949 -6.339 1.00 0.00 C ATOM 1839 O ALA A 120 7.448 4.895 -6.437 1.00 0.00 O ATOM 1840 CB ALA A 120 6.479 7.376 -4.262 1.00 0.00 C ATOM 0 H ALA A 120 6.960 9.104 -5.922 1.00 0.00 H new ATOM 0 HA ALA A 120 8.342 6.798 -5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.402 6.475 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.920 8.178 -3.670 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.485 7.675 -4.594 1.00 0.00 H new ATOM 1846 N ILE A 121 5.668 6.195 -6.940 1.00 0.00 N ATOM 1847 CA ILE A 121 5.038 5.198 -7.787 1.00 0.00 C ATOM 1848 C ILE A 121 6.007 4.793 -8.899 1.00 0.00 C ATOM 1849 O ILE A 121 6.132 3.613 -9.220 1.00 0.00 O ATOM 1850 CB ILE A 121 3.689 5.705 -8.301 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.798 6.179 -9.752 1.00 0.00 C ATOM 1852 CG2 ILE A 121 3.127 6.792 -7.383 1.00 0.00 C ATOM 1853 CD1 ILE A 121 2.426 6.563 -10.308 1.00 0.00 C ATOM 0 H ILE A 121 5.152 7.071 -6.857 1.00 0.00 H new ATOM 0 HA ILE A 121 4.816 4.298 -7.214 1.00 0.00 H new ATOM 0 HB ILE A 121 2.983 4.875 -8.286 1.00 0.00 H new ATOM 0 HG12 ILE A 121 4.470 7.035 -9.809 1.00 0.00 H new ATOM 0 HG13 ILE A 121 4.235 5.390 -10.364 1.00 0.00 H new ATOM 0 HG21 ILE A 121 2.168 7.135 -7.771 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.989 6.386 -6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.823 7.630 -7.343 1.00 0.00 H new ATOM 0 HD11 ILE A 121 2.532 6.896 -11.340 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.764 5.698 -10.272 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.003 7.369 -9.708 1.00 0.00 H new ATOM 1865 N GLU A 122 6.669 5.797 -9.457 1.00 0.00 N ATOM 1866 CA GLU A 122 7.623 5.561 -10.527 1.00 0.00 C ATOM 1867 C GLU A 122 8.692 4.564 -10.074 1.00 0.00 C ATOM 1868 O GLU A 122 9.358 3.943 -10.902 1.00 0.00 O ATOM 1869 CB GLU A 122 8.259 6.872 -10.994 1.00 0.00 C ATOM 1870 CG GLU A 122 7.210 7.804 -11.603 1.00 0.00 C ATOM 1871 CD GLU A 122 7.857 8.812 -12.554 1.00 0.00 C ATOM 1872 OE1 GLU A 122 8.692 9.601 -12.061 1.00 0.00 O ATOM 1873 OE2 GLU A 122 7.503 8.772 -13.752 1.00 0.00 O ATOM 0 H GLU A 122 6.563 6.775 -9.188 1.00 0.00 H new ATOM 0 HA GLU A 122 7.089 5.132 -11.375 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.744 7.365 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 122 9.035 6.662 -11.730 1.00 0.00 H new ATOM 0 HG2 GLU A 122 6.466 7.217 -12.141 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.684 8.334 -10.809 1.00 0.00 H new ATOM 1880 N ALA A 123 8.823 4.441 -8.762 1.00 0.00 N ATOM 1881 CA ALA A 123 9.799 3.530 -8.188 1.00 0.00 C ATOM 1882 C ALA A 123 9.162 2.150 -8.015 1.00 0.00 C ATOM 1883 O ALA A 123 9.766 1.136 -8.361 1.00 0.00 O ATOM 1884 CB ALA A 123 10.320 4.103 -6.869 1.00 0.00 C ATOM 0 H ALA A 123 8.269 4.958 -8.079 1.00 0.00 H new ATOM 0 HA ALA A 123 10.655 3.416 -8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 123 11.052 3.419 -6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.790 5.069 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.490 4.230 -6.174 1.00 0.00 H new ATOM 1890 N VAL A 124 7.951 2.156 -7.478 1.00 0.00 N ATOM 1891 CA VAL A 124 7.226 0.916 -7.253 1.00 0.00 C ATOM 1892 C VAL A 124 6.967 0.232 -8.597 1.00 0.00 C ATOM 1893 O VAL A 124 6.887 -0.993 -8.669 1.00 0.00 O ATOM 1894 CB VAL A 124 5.943 1.196 -6.466 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.724 1.207 -7.392 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.763 0.184 -5.334 1.00 0.00 C ATOM 0 H VAL A 124 7.453 2.999 -7.192 1.00 0.00 H new ATOM 0 HA VAL A 124 7.819 0.230 -6.648 1.00 0.00 H new ATOM 0 HB VAL A 124 6.033 2.186 -6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.826 1.408 -6.808 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.848 1.983 -8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.630 0.237 -7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.844 0.405 -4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.705 -0.822 -5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.611 0.246 -4.652 1.00 0.00 H new ATOM 1906 N PHE A 125 6.841 1.054 -9.629 1.00 0.00 N ATOM 1907 CA PHE A 125 6.592 0.543 -10.967 1.00 0.00 C ATOM 1908 C PHE A 125 7.905 0.299 -11.713 1.00 0.00 C ATOM 1909 O PHE A 125 7.897 -0.030 -12.898 1.00 0.00 O ATOM 1910 CB PHE A 125 5.787 1.610 -11.710 1.00 0.00 C ATOM 1911 CG PHE A 125 4.444 1.945 -11.055 1.00 0.00 C ATOM 1912 CD1 PHE A 125 3.927 1.122 -10.105 1.00 0.00 C ATOM 1913 CD2 PHE A 125 3.768 3.065 -11.426 1.00 0.00 C ATOM 1914 CE1 PHE A 125 2.682 1.432 -9.498 1.00 0.00 C ATOM 1915 CE2 PHE A 125 2.523 3.376 -10.819 1.00 0.00 C ATOM 1916 CZ PHE A 125 2.005 2.552 -9.868 1.00 0.00 C ATOM 0 H PHE A 125 6.907 2.070 -9.566 1.00 0.00 H new ATOM 0 HA PHE A 125 6.056 -0.404 -10.910 1.00 0.00 H new ATOM 0 HB2 PHE A 125 6.384 2.520 -11.777 1.00 0.00 H new ATOM 0 HB3 PHE A 125 5.607 1.270 -12.730 1.00 0.00 H new ATOM 0 HD1 PHE A 125 4.464 0.232 -9.812 1.00 0.00 H new ATOM 0 HD2 PHE A 125 4.178 3.718 -12.182 1.00 0.00 H new ATOM 0 HE1 PHE A 125 2.272 0.778 -8.742 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.987 4.267 -11.112 1.00 0.00 H new ATOM 0 HZ PHE A 125 1.057 2.787 -9.407 1.00 0.00 H new