USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 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 57 TYR OH : rot -76:sc= 1.01 USER MOD Set 1.2: A 59 SER OG : rot -50:sc= 0.0408 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 GLN : amide:sc= -0.299 K(o=-0.3,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 118:sc= 1.55 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 156:sc= -0.236 (180deg=-1.01) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00238 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= 0.159 (180deg=0.00566) USER MOD Single : A 43 SER OG : rot 71:sc= 1.19 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.0514 USER MOD Single : A 56 SER OG : rot 160:sc= 1.27 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.076) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.891 K(o=-0.89,f=-6!) USER MOD Single : A 77 GLN :FLIP amide:sc= -1.59 F(o=-2.3!,f=-1.6) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.702 USER MOD Single : A 80 SER OG : rot -55:sc= 0.0161 USER MOD Single : A 83 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.61!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.415 5.236 -13.516 1.00 0.00 N ATOM 67 CA GLN A 8 1.006 3.931 -13.787 1.00 0.00 C ATOM 68 C GLN A 8 0.933 3.034 -12.555 1.00 0.00 C ATOM 69 O GLN A 8 0.919 3.518 -11.422 1.00 0.00 O ATOM 70 CB GLN A 8 2.461 4.089 -14.232 1.00 0.00 C ATOM 71 CG GLN A 8 3.362 4.691 -13.166 1.00 0.00 C ATOM 72 CD GLN A 8 3.373 6.207 -13.200 1.00 0.00 C ATOM 73 OE1 GLN A 8 2.742 6.825 -14.059 1.00 0.00 O ATOM 74 NE2 GLN A 8 4.093 6.815 -12.265 1.00 0.00 N ATOM 0 HA GLN A 8 0.437 3.462 -14.590 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.853 3.113 -14.518 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.494 4.718 -15.121 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.030 4.356 -12.183 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.378 4.321 -13.303 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.600 6.264 -11.573 1.00 0.00 H new ATOM 0 HE22 GLN A 8 4.139 7.834 -12.239 1.00 0.00 H new ATOM 83 N LEU A 9 0.887 1.727 -12.784 1.00 0.00 N ATOM 84 CA LEU A 9 0.815 0.761 -11.692 1.00 0.00 C ATOM 85 C LEU A 9 2.199 0.496 -11.108 1.00 0.00 C ATOM 86 O LEU A 9 3.164 0.282 -11.842 1.00 0.00 O ATOM 87 CB LEU A 9 0.197 -0.549 -12.184 1.00 0.00 C ATOM 88 CG LEU A 9 -1.326 -0.649 -12.093 1.00 0.00 C ATOM 89 CD1 LEU A 9 -1.970 -0.191 -13.393 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.748 -2.072 -11.758 1.00 0.00 C ATOM 0 H LEU A 9 0.898 1.311 -13.715 1.00 0.00 H new ATOM 0 HA LEU A 9 0.185 1.181 -10.908 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.489 -0.697 -13.224 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.630 -1.369 -11.611 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.667 0.007 -11.292 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.054 -0.269 -13.309 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.695 0.845 -13.590 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.623 -0.820 -14.212 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.835 -2.124 -11.697 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.395 -2.749 -12.536 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.317 -2.364 -10.800 1.00 0.00 H new ATOM 102 N LEU A 10 2.288 0.511 -9.782 1.00 0.00 N ATOM 103 CA LEU A 10 3.553 0.270 -9.098 1.00 0.00 C ATOM 104 C LEU A 10 3.607 -1.147 -8.536 1.00 0.00 C ATOM 105 O LEU A 10 2.579 -1.731 -8.193 1.00 0.00 O ATOM 106 CB LEU A 10 3.747 1.285 -7.970 1.00 0.00 C ATOM 107 CG LEU A 10 3.104 2.656 -8.183 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.511 3.614 -7.075 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.486 3.218 -9.545 1.00 0.00 C ATOM 0 H LEU A 10 1.499 0.688 -9.160 1.00 0.00 H new ATOM 0 HA LEU A 10 4.358 0.384 -9.824 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.347 0.857 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.817 1.427 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 10 2.021 2.537 -8.152 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.044 4.584 -7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.186 3.217 -6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.595 3.729 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.020 4.194 -9.680 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.569 3.322 -9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.143 2.541 -10.327 1.00 0.00 H new ATOM 121 N THR A 11 4.815 -1.696 -8.443 1.00 0.00 N ATOM 122 CA THR A 11 5.004 -3.044 -7.922 1.00 0.00 C ATOM 123 C THR A 11 5.606 -3.013 -6.522 1.00 0.00 C ATOM 124 O THR A 11 6.796 -2.744 -6.352 1.00 0.00 O ATOM 125 CB THR A 11 5.914 -3.879 -8.841 1.00 0.00 C ATOM 126 OG1 THR A 11 5.435 -3.820 -10.190 1.00 0.00 O ATOM 127 CG2 THR A 11 5.967 -5.328 -8.380 1.00 0.00 C ATOM 0 H THR A 11 5.677 -1.227 -8.722 1.00 0.00 H new ATOM 0 HA THR A 11 4.018 -3.508 -7.881 1.00 0.00 H new ATOM 0 HB THR A 11 6.920 -3.462 -8.794 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.020 -4.352 -10.768 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.616 -5.898 -9.045 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.359 -5.372 -7.364 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.964 -5.753 -8.400 1.00 0.00 H new ATOM 135 N LEU A 12 4.778 -3.290 -5.520 1.00 0.00 N ATOM 136 CA LEU A 12 5.230 -3.295 -4.133 1.00 0.00 C ATOM 137 C LEU A 12 4.815 -4.583 -3.430 1.00 0.00 C ATOM 138 O LEU A 12 4.024 -5.365 -3.958 1.00 0.00 O ATOM 139 CB LEU A 12 4.661 -2.087 -3.387 1.00 0.00 C ATOM 140 CG LEU A 12 4.713 -0.752 -4.132 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.642 0.192 -3.611 1.00 0.00 C ATOM 142 CD2 LEU A 12 6.092 -0.122 -4.001 1.00 0.00 C ATOM 0 H LEU A 12 3.790 -3.514 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 12 6.318 -3.236 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.622 -2.298 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.203 -1.977 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 12 4.520 -0.939 -5.188 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.694 1.136 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.659 -0.256 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.803 0.374 -2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.111 0.827 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.314 0.051 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.840 -0.793 -4.424 1.00 0.00 H new ATOM 154 N LYS A 13 5.351 -4.797 -2.233 1.00 0.00 N ATOM 155 CA LYS A 13 5.034 -5.988 -1.454 1.00 0.00 C ATOM 156 C LYS A 13 4.311 -5.617 -0.163 1.00 0.00 C ATOM 157 O LYS A 13 4.756 -4.741 0.579 1.00 0.00 O ATOM 158 CB LYS A 13 6.312 -6.765 -1.130 1.00 0.00 C ATOM 159 CG LYS A 13 6.783 -7.660 -2.262 1.00 0.00 C ATOM 160 CD LYS A 13 8.276 -7.929 -2.176 1.00 0.00 C ATOM 161 CE LYS A 13 8.634 -9.284 -2.767 1.00 0.00 C ATOM 162 NZ LYS A 13 10.012 -9.706 -2.394 1.00 0.00 N ATOM 0 H LYS A 13 6.007 -4.160 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 13 4.374 -6.618 -2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.104 -6.058 -0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.141 -7.375 -0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.240 -8.604 -2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.551 -7.191 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.819 -7.146 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.594 -7.890 -1.134 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.920 -10.031 -2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.549 -9.240 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.217 -10.634 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.696 -9.007 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.086 -9.773 -1.359 1.00 0.00 H new ATOM 176 N ILE A 14 3.195 -6.290 0.099 1.00 0.00 N ATOM 177 CA ILE A 14 2.413 -6.033 1.302 1.00 0.00 C ATOM 178 C ILE A 14 2.913 -6.871 2.473 1.00 0.00 C ATOM 179 O ILE A 14 3.033 -8.092 2.371 1.00 0.00 O ATOM 180 CB ILE A 14 0.919 -6.328 1.075 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.359 -5.424 -0.026 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.140 -6.141 2.368 1.00 0.00 C ATOM 183 CD1 ILE A 14 0.679 -5.905 -1.424 1.00 0.00 C ATOM 0 H ILE A 14 2.812 -7.017 -0.506 1.00 0.00 H new ATOM 0 HA ILE A 14 2.535 -4.976 1.538 1.00 0.00 H new ATOM 0 HB ILE A 14 0.813 -7.365 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.723 -5.355 0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.758 -4.418 0.103 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.914 -6.353 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.525 -6.822 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.250 -5.113 2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.251 -5.216 -2.153 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.760 -5.947 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.257 -6.899 -1.572 1.00 0.00 H new ATOM 195 N LYS A 15 3.202 -6.208 3.587 1.00 0.00 N ATOM 196 CA LYS A 15 3.687 -6.891 4.781 1.00 0.00 C ATOM 197 C LYS A 15 3.218 -6.176 6.045 1.00 0.00 C ATOM 198 O LYS A 15 3.524 -5.002 6.255 1.00 0.00 O ATOM 199 CB LYS A 15 5.215 -6.969 4.764 1.00 0.00 C ATOM 200 CG LYS A 15 5.809 -7.529 6.045 1.00 0.00 C ATOM 201 CD LYS A 15 7.317 -7.345 6.087 1.00 0.00 C ATOM 202 CE LYS A 15 7.695 -5.956 6.579 1.00 0.00 C ATOM 203 NZ LYS A 15 7.771 -5.895 8.065 1.00 0.00 N ATOM 0 H LYS A 15 3.109 -5.197 3.688 1.00 0.00 H new ATOM 0 HA LYS A 15 3.278 -7.901 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.530 -7.590 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.620 -5.972 4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.357 -7.033 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.568 -8.589 6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.758 -8.097 6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.732 -7.505 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.657 -5.670 6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.961 -5.233 6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.031 -4.932 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.846 -6.143 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.489 -6.567 8.404 1.00 0.00 H new ATOM 217 N CYS A 16 2.475 -6.892 6.882 1.00 0.00 N ATOM 218 CA CYS A 16 1.965 -6.326 8.126 1.00 0.00 C ATOM 219 C CYS A 16 3.099 -6.073 9.114 1.00 0.00 C ATOM 220 O CYS A 16 3.955 -6.932 9.324 1.00 0.00 O ATOM 221 CB CYS A 16 0.928 -7.262 8.749 1.00 0.00 C ATOM 222 SG CYS A 16 0.216 -6.651 10.294 1.00 0.00 S ATOM 0 H CYS A 16 2.213 -7.865 6.722 1.00 0.00 H new ATOM 0 HA CYS A 16 1.490 -5.372 7.895 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.124 -7.426 8.031 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.393 -8.230 8.934 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.063 -6.476 10.143 1.00 0.00 H new ATOM 340 N ILE A 24 4.304 -12.666 3.095 1.00 0.00 N ATOM 341 CA ILE A 24 4.388 -11.474 2.259 1.00 0.00 C ATOM 342 C ILE A 24 3.789 -11.727 0.880 1.00 0.00 C ATOM 343 O ILE A 24 3.908 -12.823 0.330 1.00 0.00 O ATOM 344 CB ILE A 24 5.845 -11.002 2.096 1.00 0.00 C ATOM 345 CG1 ILE A 24 6.418 -10.569 3.447 1.00 0.00 C ATOM 346 CG2 ILE A 24 5.923 -9.862 1.092 1.00 0.00 C ATOM 347 CD1 ILE A 24 7.923 -10.421 3.445 1.00 0.00 C ATOM 0 HA ILE A 24 3.817 -10.694 2.763 1.00 0.00 H new ATOM 0 HB ILE A 24 6.441 -11.833 1.719 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.968 -9.619 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.134 -11.300 4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.959 -9.539 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.550 -10.202 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.316 -9.027 1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.260 -10.112 4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.382 -11.375 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.214 -9.669 2.712 1.00 0.00 H new ATOM 359 N LEU A 25 3.147 -10.705 0.323 1.00 0.00 N ATOM 360 CA LEU A 25 2.531 -10.815 -0.994 1.00 0.00 C ATOM 361 C LEU A 25 2.943 -9.649 -1.887 1.00 0.00 C ATOM 362 O LEU A 25 3.612 -8.719 -1.439 1.00 0.00 O ATOM 363 CB LEU A 25 1.008 -10.860 -0.865 1.00 0.00 C ATOM 364 CG LEU A 25 0.406 -12.212 -0.480 1.00 0.00 C ATOM 365 CD1 LEU A 25 -0.980 -12.029 0.118 1.00 0.00 C ATOM 366 CD2 LEU A 25 0.349 -13.134 -1.690 1.00 0.00 C ATOM 0 H LEU A 25 3.040 -9.791 0.763 1.00 0.00 H new ATOM 0 HA LEU A 25 2.878 -11.741 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.705 -10.125 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.574 -10.549 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 25 1.046 -12.672 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.392 -13.002 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.912 -11.406 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.631 -11.548 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.082 -14.092 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.268 -12.680 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.356 -13.292 -2.075 1.00 0.00 H new ATOM 378 N GLU A 26 2.537 -9.706 -3.151 1.00 0.00 N ATOM 379 CA GLU A 26 2.863 -8.653 -4.106 1.00 0.00 C ATOM 380 C GLU A 26 1.638 -8.266 -4.929 1.00 0.00 C ATOM 381 O GLU A 26 0.998 -9.116 -5.549 1.00 0.00 O ATOM 382 CB GLU A 26 3.992 -9.107 -5.034 1.00 0.00 C ATOM 383 CG GLU A 26 4.798 -7.959 -5.619 1.00 0.00 C ATOM 384 CD GLU A 26 5.696 -8.398 -6.759 1.00 0.00 C ATOM 385 OE1 GLU A 26 5.176 -8.621 -7.872 1.00 0.00 O ATOM 386 OE2 GLU A 26 6.919 -8.519 -6.537 1.00 0.00 O ATOM 0 H GLU A 26 1.982 -10.470 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 26 3.193 -7.779 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.662 -9.766 -4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.568 -9.694 -5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.117 -7.186 -5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.407 -7.510 -4.834 1.00 0.00 H new ATOM 393 N LYS A 27 1.316 -6.977 -4.930 1.00 0.00 N ATOM 394 CA LYS A 27 0.168 -6.475 -5.677 1.00 0.00 C ATOM 395 C LYS A 27 0.533 -5.211 -6.450 1.00 0.00 C ATOM 396 O LYS A 27 1.344 -4.407 -5.993 1.00 0.00 O ATOM 397 CB LYS A 27 -0.997 -6.187 -4.728 1.00 0.00 C ATOM 398 CG LYS A 27 -2.284 -5.812 -5.442 1.00 0.00 C ATOM 399 CD LYS A 27 -3.129 -7.038 -5.748 1.00 0.00 C ATOM 400 CE LYS A 27 -4.153 -6.752 -6.836 1.00 0.00 C ATOM 401 NZ LYS A 27 -3.611 -7.033 -8.194 1.00 0.00 N ATOM 0 H LYS A 27 1.834 -6.260 -4.422 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.134 -7.242 -6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.177 -7.067 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.715 -5.377 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.856 -5.120 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.048 -5.291 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.483 -7.858 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.640 -7.364 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.042 -7.359 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.464 -5.709 -6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.338 -6.826 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.777 -6.435 -8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.338 -8.034 -8.258 1.00 0.00 H new ATOM 415 N GLN A 28 -0.074 -5.043 -7.620 1.00 0.00 N ATOM 416 CA GLN A 28 0.187 -3.876 -8.455 1.00 0.00 C ATOM 417 C GLN A 28 -1.016 -2.939 -8.472 1.00 0.00 C ATOM 418 O GLN A 28 -2.114 -3.329 -8.873 1.00 0.00 O ATOM 419 CB GLN A 28 0.532 -4.310 -9.881 1.00 0.00 C ATOM 420 CG GLN A 28 1.903 -4.954 -10.007 1.00 0.00 C ATOM 421 CD GLN A 28 2.262 -5.286 -11.442 1.00 0.00 C ATOM 422 OE1 GLN A 28 1.849 -6.317 -11.974 1.00 0.00 O ATOM 423 NE2 GLN A 28 3.035 -4.413 -12.076 1.00 0.00 N ATOM 0 H GLN A 28 -0.750 -5.699 -8.011 1.00 0.00 H new ATOM 0 HA GLN A 28 1.036 -3.339 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.224 -5.013 -10.231 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.487 -3.441 -10.537 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.655 -4.282 -9.594 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.928 -5.866 -9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.354 -3.572 -11.596 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.310 -4.584 -13.043 1.00 0.00 H new ATOM 432 N LEU A 29 -0.803 -1.703 -8.035 1.00 0.00 N ATOM 433 CA LEU A 29 -1.870 -0.710 -7.999 1.00 0.00 C ATOM 434 C LEU A 29 -1.390 0.625 -8.560 1.00 0.00 C ATOM 435 O LEU A 29 -0.229 1.007 -8.413 1.00 0.00 O ATOM 436 CB LEU A 29 -2.373 -0.523 -6.567 1.00 0.00 C ATOM 437 CG LEU A 29 -2.663 -1.804 -5.785 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.647 -2.682 -6.544 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.374 -2.563 -5.507 1.00 0.00 C ATOM 0 H LEU A 29 0.099 -1.365 -7.701 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.690 -1.071 -8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.632 0.056 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.284 0.074 -6.598 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.113 -1.530 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.841 -3.589 -5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.581 -2.139 -6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.225 -2.948 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.600 -3.472 -4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.896 -2.826 -6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.702 -1.936 -4.921 1.00 0.00 H new ATOM 451 N PRO A 30 -2.305 1.354 -9.217 1.00 0.00 N ATOM 452 CA PRO A 30 -1.999 2.660 -9.810 1.00 0.00 C ATOM 453 C PRO A 30 -1.757 3.734 -8.756 1.00 0.00 C ATOM 454 O PRO A 30 -2.585 3.945 -7.869 1.00 0.00 O ATOM 455 CB PRO A 30 -3.255 2.982 -10.624 1.00 0.00 C ATOM 456 CG PRO A 30 -4.345 2.218 -9.956 1.00 0.00 C ATOM 457 CD PRO A 30 -3.708 0.962 -9.430 1.00 0.00 C ATOM 0 HA PRO A 30 -1.085 2.634 -10.403 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.464 4.052 -10.624 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.140 2.680 -11.665 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.789 2.798 -9.147 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.145 1.985 -10.658 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.178 0.631 -8.504 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.792 0.141 -10.141 1.00 0.00 H new ATOM 465 N ASP A 31 -0.618 4.410 -8.857 1.00 0.00 N ATOM 466 CA ASP A 31 -0.267 5.464 -7.912 1.00 0.00 C ATOM 467 C ASP A 31 -1.415 6.457 -7.755 1.00 0.00 C ATOM 468 O ASP A 31 -1.486 7.188 -6.768 1.00 0.00 O ATOM 469 CB ASP A 31 0.995 6.194 -8.375 1.00 0.00 C ATOM 470 CG ASP A 31 0.894 6.673 -9.809 1.00 0.00 C ATOM 471 OD1 ASP A 31 0.266 7.728 -10.039 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.442 5.994 -10.702 1.00 0.00 O ATOM 0 H ASP A 31 0.078 4.247 -9.584 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.075 5.001 -6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.178 7.047 -7.722 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.853 5.528 -8.277 1.00 0.00 H new ATOM 477 N SER A 32 -2.311 6.477 -8.737 1.00 0.00 N ATOM 478 CA SER A 32 -3.453 7.384 -8.710 1.00 0.00 C ATOM 479 C SER A 32 -4.431 6.994 -7.606 1.00 0.00 C ATOM 480 O SER A 32 -5.039 7.853 -6.969 1.00 0.00 O ATOM 481 CB SER A 32 -4.166 7.379 -10.064 1.00 0.00 C ATOM 482 OG SER A 32 -4.921 8.565 -10.247 1.00 0.00 O ATOM 0 H SER A 32 -2.268 5.876 -9.560 1.00 0.00 H new ATOM 0 HA SER A 32 -3.083 8.389 -8.505 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.432 7.284 -10.865 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.823 6.512 -10.129 1.00 0.00 H new ATOM 0 HG SER A 32 -5.366 8.538 -11.120 1.00 0.00 H new ATOM 488 N MET A 33 -4.576 5.691 -7.387 1.00 0.00 N ATOM 489 CA MET A 33 -5.479 5.186 -6.359 1.00 0.00 C ATOM 490 C MET A 33 -5.204 5.855 -5.016 1.00 0.00 C ATOM 491 O MET A 33 -4.068 5.871 -4.540 1.00 0.00 O ATOM 492 CB MET A 33 -5.336 3.669 -6.225 1.00 0.00 C ATOM 493 CG MET A 33 -6.605 2.977 -5.753 1.00 0.00 C ATOM 494 SD MET A 33 -6.757 1.296 -6.387 1.00 0.00 S ATOM 495 CE MET A 33 -6.067 0.357 -5.027 1.00 0.00 C ATOM 0 H MET A 33 -4.081 4.967 -7.907 1.00 0.00 H new ATOM 0 HA MET A 33 -6.500 5.423 -6.660 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.043 3.254 -7.189 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.530 3.449 -5.525 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.617 2.953 -4.663 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.471 3.560 -6.068 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.457 -0.661 -5.053 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.981 0.332 -5.116 1.00 0.00 H new ATOM 0 HE3 MET A 33 -6.343 0.828 -4.083 1.00 0.00 H new ATOM 505 N THR A 34 -6.250 6.408 -4.410 1.00 0.00 N ATOM 506 CA THR A 34 -6.120 7.080 -3.123 1.00 0.00 C ATOM 507 C THR A 34 -5.832 6.082 -2.008 1.00 0.00 C ATOM 508 O THR A 34 -6.459 5.025 -1.929 1.00 0.00 O ATOM 509 CB THR A 34 -7.394 7.872 -2.772 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.554 7.073 -3.030 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.470 9.160 -3.576 1.00 0.00 C ATOM 0 H THR A 34 -7.197 6.404 -4.790 1.00 0.00 H new ATOM 0 HA THR A 34 -5.283 7.773 -3.211 1.00 0.00 H new ATOM 0 HB THR A 34 -7.357 8.126 -1.713 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.360 7.583 -2.803 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.378 9.702 -3.311 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.601 9.779 -3.355 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.486 8.924 -4.640 1.00 0.00 H new ATOM 519 N VAL A 35 -4.879 6.423 -1.146 1.00 0.00 N ATOM 520 CA VAL A 35 -4.509 5.557 -0.033 1.00 0.00 C ATOM 521 C VAL A 35 -5.736 4.880 0.568 1.00 0.00 C ATOM 522 O VAL A 35 -5.682 3.715 0.961 1.00 0.00 O ATOM 523 CB VAL A 35 -3.778 6.343 1.071 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.665 5.507 2.337 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.405 6.786 0.590 1.00 0.00 C ATOM 0 H VAL A 35 -4.349 7.293 -1.197 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.838 4.797 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.361 7.234 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.146 6.079 3.106 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.662 5.246 2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.106 4.596 2.123 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.903 7.340 1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.812 5.910 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.515 7.426 -0.286 1.00 0.00 H new ATOM 535 N GLN A 36 -6.839 5.617 0.634 1.00 0.00 N ATOM 536 CA GLN A 36 -8.080 5.087 1.187 1.00 0.00 C ATOM 537 C GLN A 36 -8.511 3.826 0.446 1.00 0.00 C ATOM 538 O GLN A 36 -8.828 2.808 1.062 1.00 0.00 O ATOM 539 CB GLN A 36 -9.187 6.140 1.114 1.00 0.00 C ATOM 540 CG GLN A 36 -10.221 6.014 2.221 1.00 0.00 C ATOM 541 CD GLN A 36 -11.572 6.574 1.824 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.500 5.826 1.513 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.691 7.896 1.831 1.00 0.00 N ATOM 0 H GLN A 36 -6.899 6.583 0.312 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.902 4.830 2.231 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.737 7.132 1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.688 6.062 0.149 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.332 4.964 2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.863 6.535 3.109 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.896 8.478 2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.577 8.330 1.572 1.00 0.00 H new ATOM 552 N LYS A 37 -8.522 3.900 -0.881 1.00 0.00 N ATOM 553 CA LYS A 37 -8.914 2.765 -1.708 1.00 0.00 C ATOM 554 C LYS A 37 -8.086 1.531 -1.366 1.00 0.00 C ATOM 555 O LYS A 37 -8.626 0.440 -1.183 1.00 0.00 O ATOM 556 CB LYS A 37 -8.750 3.108 -3.191 1.00 0.00 C ATOM 557 CG LYS A 37 -9.993 3.718 -3.815 1.00 0.00 C ATOM 558 CD LYS A 37 -10.067 3.430 -5.305 1.00 0.00 C ATOM 559 CE LYS A 37 -11.507 3.353 -5.787 1.00 0.00 C ATOM 560 NZ LYS A 37 -11.593 3.296 -7.273 1.00 0.00 N ATOM 0 H LYS A 37 -8.264 4.735 -1.407 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.962 2.545 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.918 3.803 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.486 2.203 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.881 3.321 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.992 4.796 -3.651 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.540 4.210 -5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.559 2.490 -5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.986 2.471 -5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.058 4.221 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.591 3.244 -7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.159 4.150 -7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.089 2.454 -7.618 1.00 0.00 H new ATOM 574 N VAL A 38 -6.772 1.711 -1.278 1.00 0.00 N ATOM 575 CA VAL A 38 -5.870 0.613 -0.955 1.00 0.00 C ATOM 576 C VAL A 38 -6.193 0.020 0.412 1.00 0.00 C ATOM 577 O VAL A 38 -6.104 -1.191 0.613 1.00 0.00 O ATOM 578 CB VAL A 38 -4.399 1.071 -0.969 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.467 -0.120 -0.813 1.00 0.00 C ATOM 580 CG2 VAL A 38 -4.092 1.836 -2.247 1.00 0.00 C ATOM 0 H VAL A 38 -6.309 2.608 -1.426 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.013 -0.149 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.237 1.741 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.433 0.223 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.672 -0.621 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.627 -0.818 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.049 2.152 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.271 1.192 -3.108 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.736 2.713 -2.310 1.00 0.00 H new ATOM 590 N LYS A 39 -6.570 0.882 1.351 1.00 0.00 N ATOM 591 CA LYS A 39 -6.909 0.446 2.700 1.00 0.00 C ATOM 592 C LYS A 39 -8.219 -0.334 2.706 1.00 0.00 C ATOM 593 O LYS A 39 -8.380 -1.292 3.462 1.00 0.00 O ATOM 594 CB LYS A 39 -7.016 1.651 3.636 1.00 0.00 C ATOM 595 CG LYS A 39 -5.695 2.367 3.860 1.00 0.00 C ATOM 596 CD LYS A 39 -5.841 3.509 4.852 1.00 0.00 C ATOM 597 CE LYS A 39 -4.514 3.844 5.515 1.00 0.00 C ATOM 598 NZ LYS A 39 -4.649 4.956 6.496 1.00 0.00 N ATOM 0 H LYS A 39 -6.648 1.888 1.202 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.114 -0.211 3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.737 2.357 3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.408 1.320 4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.953 1.658 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.324 2.754 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.226 4.391 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.572 3.239 5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.127 2.959 6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.786 4.119 4.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.767 5.507 6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.437 5.574 6.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.837 4.564 7.441 1.00 0.00 H new ATOM 612 N GLY A 40 -9.155 0.081 1.857 1.00 0.00 N ATOM 613 CA GLY A 40 -10.439 -0.591 1.780 1.00 0.00 C ATOM 614 C GLY A 40 -10.342 -1.952 1.122 1.00 0.00 C ATOM 615 O GLY A 40 -11.196 -2.814 1.332 1.00 0.00 O ATOM 0 H GLY A 40 -9.046 0.871 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.847 -0.705 2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.138 0.031 1.221 1.00 0.00 H new ATOM 619 N LEU A 41 -9.300 -2.148 0.321 1.00 0.00 N ATOM 620 CA LEU A 41 -9.095 -3.415 -0.372 1.00 0.00 C ATOM 621 C LEU A 41 -8.756 -4.527 0.615 1.00 0.00 C ATOM 622 O LEU A 41 -9.204 -5.664 0.463 1.00 0.00 O ATOM 623 CB LEU A 41 -7.976 -3.277 -1.407 1.00 0.00 C ATOM 624 CG LEU A 41 -7.410 -4.585 -1.961 1.00 0.00 C ATOM 625 CD1 LEU A 41 -8.235 -5.065 -3.145 1.00 0.00 C ATOM 626 CD2 LEU A 41 -5.953 -4.408 -2.361 1.00 0.00 C ATOM 0 H LEU A 41 -8.584 -1.446 0.136 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.023 -3.677 -0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.351 -2.684 -2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.159 -2.713 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.462 -5.341 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.817 -5.997 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.264 -5.232 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.216 -4.311 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.566 -5.349 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.877 -3.637 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.370 -4.111 -1.489 1.00 0.00 H new ATOM 638 N LEU A 42 -7.963 -4.192 1.627 1.00 0.00 N ATOM 639 CA LEU A 42 -7.566 -5.162 2.641 1.00 0.00 C ATOM 640 C LEU A 42 -8.617 -5.261 3.742 1.00 0.00 C ATOM 641 O LEU A 42 -8.886 -6.344 4.261 1.00 0.00 O ATOM 642 CB LEU A 42 -6.215 -4.774 3.244 1.00 0.00 C ATOM 643 CG LEU A 42 -5.048 -4.661 2.262 1.00 0.00 C ATOM 644 CD1 LEU A 42 -4.019 -3.662 2.768 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.407 -6.023 2.036 1.00 0.00 C ATOM 0 H LEU A 42 -7.582 -3.256 1.767 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.477 -6.136 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.329 -3.817 3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.954 -5.511 4.004 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.434 -4.301 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.196 -3.595 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.485 -2.683 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.637 -3.991 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.579 -5.923 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.035 -6.412 2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.148 -6.710 1.627 1.00 0.00 H new ATOM 657 N SER A 43 -9.210 -4.124 4.091 1.00 0.00 N ATOM 658 CA SER A 43 -10.231 -4.082 5.131 1.00 0.00 C ATOM 659 C SER A 43 -11.120 -5.321 5.069 1.00 0.00 C ATOM 660 O SER A 43 -11.518 -5.864 6.100 1.00 0.00 O ATOM 661 CB SER A 43 -11.084 -2.820 4.987 1.00 0.00 C ATOM 662 OG SER A 43 -12.304 -2.946 5.698 1.00 0.00 O ATOM 0 H SER A 43 -9.001 -3.219 3.669 1.00 0.00 H new ATOM 0 HA SER A 43 -9.729 -4.064 6.099 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.530 -1.958 5.359 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.291 -2.635 3.933 1.00 0.00 H new ATOM 0 HG SER A 43 -12.125 -2.923 6.661 1.00 0.00 H new ATOM 668 N ARG A 44 -11.427 -5.761 3.854 1.00 0.00 N ATOM 669 CA ARG A 44 -12.269 -6.934 3.656 1.00 0.00 C ATOM 670 C ARG A 44 -11.517 -8.211 4.018 1.00 0.00 C ATOM 671 O ARG A 44 -12.068 -9.111 4.654 1.00 0.00 O ATOM 672 CB ARG A 44 -12.749 -7.006 2.205 1.00 0.00 C ATOM 673 CG ARG A 44 -13.735 -5.910 1.835 1.00 0.00 C ATOM 674 CD ARG A 44 -15.132 -6.219 2.350 1.00 0.00 C ATOM 675 NE ARG A 44 -16.078 -5.150 2.040 1.00 0.00 N ATOM 676 CZ ARG A 44 -16.216 -4.055 2.779 1.00 0.00 C ATOM 677 NH1 ARG A 44 -15.472 -3.884 3.863 1.00 0.00 N ATOM 678 NH2 ARG A 44 -17.099 -3.127 2.432 1.00 0.00 N ATOM 0 H ARG A 44 -11.105 -5.323 2.991 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.134 -6.843 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.886 -6.945 1.542 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.216 -7.976 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.396 -4.960 2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.763 -5.795 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.483 -7.152 1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.096 -6.369 3.429 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.664 -5.250 1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.791 -4.594 4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.580 -3.042 4.428 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.672 -3.255 1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.205 -2.286 3.000 1.00 0.00 H new ATOM 692 N LEU A 45 -10.255 -8.284 3.608 1.00 0.00 N ATOM 693 CA LEU A 45 -9.426 -9.451 3.888 1.00 0.00 C ATOM 694 C LEU A 45 -9.145 -9.574 5.382 1.00 0.00 C ATOM 695 O LEU A 45 -9.339 -10.635 5.977 1.00 0.00 O ATOM 696 CB LEU A 45 -8.109 -9.363 3.115 1.00 0.00 C ATOM 697 CG LEU A 45 -6.995 -10.303 3.577 1.00 0.00 C ATOM 698 CD1 LEU A 45 -7.517 -11.726 3.707 1.00 0.00 C ATOM 699 CD2 LEU A 45 -5.819 -10.251 2.613 1.00 0.00 C ATOM 0 H LEU A 45 -9.784 -7.549 3.081 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.971 -10.338 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.314 -9.564 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.742 -8.339 3.178 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.651 -9.973 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.710 -12.381 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.326 -11.751 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.889 -12.067 2.741 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.036 -10.926 2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.149 -10.555 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.428 -9.234 2.570 1.00 0.00 H new ATOM 711 N LEU A 46 -8.689 -8.481 5.985 1.00 0.00 N ATOM 712 CA LEU A 46 -8.383 -8.465 7.411 1.00 0.00 C ATOM 713 C LEU A 46 -9.580 -7.972 8.219 1.00 0.00 C ATOM 714 O LEU A 46 -9.452 -7.635 9.396 1.00 0.00 O ATOM 715 CB LEU A 46 -7.169 -7.575 7.682 1.00 0.00 C ATOM 716 CG LEU A 46 -5.875 -7.970 6.970 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.965 -6.763 6.807 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.163 -9.078 7.734 1.00 0.00 C ATOM 0 H LEU A 46 -8.523 -7.595 5.508 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.154 -9.485 7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.421 -6.554 7.395 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.982 -7.567 8.756 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.128 -8.344 5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.049 -7.064 6.298 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.474 -6.001 6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.719 -6.358 7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.244 -9.347 7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.922 -8.731 8.739 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.812 -9.951 7.798 1.00 0.00 H new ATOM 730 N LYS A 47 -10.744 -7.933 7.579 1.00 0.00 N ATOM 731 CA LYS A 47 -11.965 -7.485 8.237 1.00 0.00 C ATOM 732 C LYS A 47 -11.682 -6.308 9.165 1.00 0.00 C ATOM 733 O LYS A 47 -12.297 -6.177 10.223 1.00 0.00 O ATOM 734 CB LYS A 47 -12.592 -8.634 9.030 1.00 0.00 C ATOM 735 CG LYS A 47 -12.775 -9.905 8.219 1.00 0.00 C ATOM 736 CD LYS A 47 -11.545 -10.794 8.290 1.00 0.00 C ATOM 737 CE LYS A 47 -11.612 -11.921 7.270 1.00 0.00 C ATOM 738 NZ LYS A 47 -10.706 -13.047 7.627 1.00 0.00 N ATOM 0 H LYS A 47 -10.867 -8.207 6.604 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.664 -7.158 7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.965 -8.852 9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.562 -8.314 9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.642 -10.452 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.980 -9.648 7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.651 -10.195 8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.455 -11.214 9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.636 -12.287 7.200 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.343 -11.537 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.781 -13.794 6.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.725 -12.704 7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.978 -13.431 8.554 1.00 0.00 H new ATOM 752 N VAL A 48 -10.749 -5.452 8.760 1.00 0.00 N ATOM 753 CA VAL A 48 -10.387 -4.284 9.554 1.00 0.00 C ATOM 754 C VAL A 48 -10.898 -3.001 8.908 1.00 0.00 C ATOM 755 O VAL A 48 -10.833 -2.820 7.692 1.00 0.00 O ATOM 756 CB VAL A 48 -8.861 -4.181 9.738 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.500 -2.919 10.507 1.00 0.00 C ATOM 758 CG2 VAL A 48 -8.326 -5.417 10.443 1.00 0.00 C ATOM 0 H VAL A 48 -10.230 -5.546 7.887 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.855 -4.407 10.530 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.396 -4.123 8.754 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.418 -2.863 10.627 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.849 -2.045 9.957 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.973 -2.943 11.489 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.247 -5.328 10.565 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.795 -5.509 11.422 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.552 -6.302 9.848 1.00 0.00 H new ATOM 768 N PRO A 49 -11.418 -2.086 9.740 1.00 0.00 N ATOM 769 CA PRO A 49 -11.950 -0.802 9.272 1.00 0.00 C ATOM 770 C PRO A 49 -10.853 0.132 8.774 1.00 0.00 C ATOM 771 O PRO A 49 -9.894 0.418 9.490 1.00 0.00 O ATOM 772 CB PRO A 49 -12.621 -0.221 10.519 1.00 0.00 C ATOM 773 CG PRO A 49 -11.909 -0.856 11.664 1.00 0.00 C ATOM 774 CD PRO A 49 -11.527 -2.235 11.201 1.00 0.00 C ATOM 0 HA PRO A 49 -12.626 -0.924 8.425 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.529 0.865 10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.686 -0.451 10.539 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.027 -0.280 11.943 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.550 -0.904 12.544 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.585 -2.561 11.643 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.280 -2.974 11.475 1.00 0.00 H new ATOM 782 N VAL A 50 -11.001 0.606 7.540 1.00 0.00 N ATOM 783 CA VAL A 50 -10.023 1.510 6.946 1.00 0.00 C ATOM 784 C VAL A 50 -9.622 2.607 7.926 1.00 0.00 C ATOM 785 O VAL A 50 -8.541 3.184 7.819 1.00 0.00 O ATOM 786 CB VAL A 50 -10.568 2.159 5.660 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.664 3.298 5.213 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.714 1.119 4.560 1.00 0.00 C ATOM 0 H VAL A 50 -11.789 0.379 6.933 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.147 0.911 6.699 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.555 2.572 5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.065 3.745 4.303 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.616 4.053 5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.663 2.913 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.100 1.595 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.741 0.675 4.348 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.405 0.341 4.884 1.00 0.00 H new ATOM 798 N SER A 51 -10.501 2.889 8.882 1.00 0.00 N ATOM 799 CA SER A 51 -10.241 3.919 9.881 1.00 0.00 C ATOM 800 C SER A 51 -9.120 3.492 10.823 1.00 0.00 C ATOM 801 O SER A 51 -8.262 4.295 11.187 1.00 0.00 O ATOM 802 CB SER A 51 -11.511 4.216 10.681 1.00 0.00 C ATOM 803 OG SER A 51 -11.810 3.156 11.573 1.00 0.00 O ATOM 0 H SER A 51 -11.400 2.418 8.986 1.00 0.00 H new ATOM 0 HA SER A 51 -9.929 4.824 9.361 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.384 5.142 11.241 1.00 0.00 H new ATOM 0 HB3 SER A 51 -12.347 4.369 9.999 1.00 0.00 H new ATOM 0 HG SER A 51 -12.625 3.370 12.074 1.00 0.00 H new ATOM 809 N GLU A 52 -9.136 2.221 11.213 1.00 0.00 N ATOM 810 CA GLU A 52 -8.121 1.687 12.114 1.00 0.00 C ATOM 811 C GLU A 52 -6.879 1.256 11.340 1.00 0.00 C ATOM 812 O GLU A 52 -5.824 1.007 11.925 1.00 0.00 O ATOM 813 CB GLU A 52 -8.681 0.501 12.903 1.00 0.00 C ATOM 814 CG GLU A 52 -9.843 0.868 13.811 1.00 0.00 C ATOM 815 CD GLU A 52 -9.387 1.361 15.171 1.00 0.00 C ATOM 816 OE1 GLU A 52 -8.204 1.737 15.300 1.00 0.00 O ATOM 817 OE2 GLU A 52 -10.215 1.370 16.106 1.00 0.00 O ATOM 0 H GLU A 52 -9.839 1.543 10.920 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.838 2.476 12.810 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.007 -0.269 12.203 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.883 0.067 13.506 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.444 1.640 13.331 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.487 -0.002 13.941 1.00 0.00 H new ATOM 824 N LEU A 53 -7.012 1.169 10.021 1.00 0.00 N ATOM 825 CA LEU A 53 -5.901 0.767 9.165 1.00 0.00 C ATOM 826 C LEU A 53 -4.910 1.912 8.986 1.00 0.00 C ATOM 827 O LEU A 53 -5.293 3.083 8.972 1.00 0.00 O ATOM 828 CB LEU A 53 -6.422 0.310 7.801 1.00 0.00 C ATOM 829 CG LEU A 53 -6.896 -1.142 7.716 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.725 -1.360 6.460 1.00 0.00 C ATOM 831 CD2 LEU A 53 -5.709 -2.093 7.747 1.00 0.00 C ATOM 0 H LEU A 53 -7.878 1.371 9.521 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.385 -0.063 9.647 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.250 0.959 7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.632 0.457 7.065 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.525 -1.350 8.582 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.053 -2.398 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.596 -0.705 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.121 -1.133 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.065 -3.121 7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.054 -1.885 6.901 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.157 -1.955 8.676 1.00 0.00 H new ATOM 843 N LEU A 54 -3.635 1.568 8.845 1.00 0.00 N ATOM 844 CA LEU A 54 -2.588 2.567 8.664 1.00 0.00 C ATOM 845 C LEU A 54 -1.538 2.082 7.669 1.00 0.00 C ATOM 846 O LEU A 54 -0.760 1.175 7.965 1.00 0.00 O ATOM 847 CB LEU A 54 -1.925 2.890 10.005 1.00 0.00 C ATOM 848 CG LEU A 54 -2.690 3.850 10.917 1.00 0.00 C ATOM 849 CD1 LEU A 54 -2.132 3.800 12.331 1.00 0.00 C ATOM 850 CD2 LEU A 54 -2.631 5.268 10.368 1.00 0.00 C ATOM 0 H LEU A 54 -3.301 0.604 8.853 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.049 3.471 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.768 1.956 10.544 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.940 3.314 9.808 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.734 3.538 10.949 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.688 4.489 12.966 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.227 2.788 12.724 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.081 4.087 12.318 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.181 5.937 11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.592 5.591 10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.078 5.292 9.374 1.00 0.00 H new ATOM 862 N LEU A 55 -1.521 2.693 6.490 1.00 0.00 N ATOM 863 CA LEU A 55 -0.566 2.326 5.451 1.00 0.00 C ATOM 864 C LEU A 55 0.718 3.140 5.579 1.00 0.00 C ATOM 865 O LEU A 55 0.682 4.370 5.623 1.00 0.00 O ATOM 866 CB LEU A 55 -1.181 2.536 4.067 1.00 0.00 C ATOM 867 CG LEU A 55 -1.830 1.308 3.427 1.00 0.00 C ATOM 868 CD1 LEU A 55 -0.768 0.313 2.984 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.804 0.654 4.396 1.00 0.00 C ATOM 0 H LEU A 55 -2.158 3.446 6.230 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.320 1.272 5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.932 3.322 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.402 2.901 3.397 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.386 1.632 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.248 -0.554 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.109 0.785 2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.185 -0.005 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.256 -0.218 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.270 0.344 5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.584 1.367 4.665 1.00 0.00 H new ATOM 881 N SER A 56 1.850 2.447 5.635 1.00 0.00 N ATOM 882 CA SER A 56 3.145 3.105 5.758 1.00 0.00 C ATOM 883 C SER A 56 4.172 2.464 4.830 1.00 0.00 C ATOM 884 O SER A 56 4.441 1.266 4.916 1.00 0.00 O ATOM 885 CB SER A 56 3.638 3.040 7.205 1.00 0.00 C ATOM 886 OG SER A 56 3.156 1.877 7.856 1.00 0.00 O ATOM 0 H SER A 56 1.897 1.429 5.597 1.00 0.00 H new ATOM 0 HA SER A 56 3.023 4.149 5.469 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.728 3.045 7.222 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.307 3.927 7.746 1.00 0.00 H new ATOM 0 HG SER A 56 3.716 1.684 8.637 1.00 0.00 H new ATOM 892 N TYR A 57 4.742 3.271 3.942 1.00 0.00 N ATOM 893 CA TYR A 57 5.737 2.784 2.994 1.00 0.00 C ATOM 894 C TYR A 57 7.149 3.107 3.474 1.00 0.00 C ATOM 895 O TYR A 57 7.384 4.145 4.091 1.00 0.00 O ATOM 896 CB TYR A 57 5.502 3.399 1.614 1.00 0.00 C ATOM 897 CG TYR A 57 6.230 4.707 1.402 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.821 5.866 2.051 1.00 0.00 C ATOM 899 CD2 TYR A 57 7.326 4.786 0.552 1.00 0.00 C ATOM 900 CE1 TYR A 57 6.482 7.063 1.861 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.995 5.979 0.356 1.00 0.00 C ATOM 902 CZ TYR A 57 7.569 7.115 1.013 1.00 0.00 C ATOM 903 OH TYR A 57 8.231 8.305 0.819 1.00 0.00 O ATOM 0 H TYR A 57 4.532 4.266 3.859 1.00 0.00 H new ATOM 0 HA TYR A 57 5.635 1.701 2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.819 2.689 0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.433 3.561 1.475 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.971 5.830 2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.661 3.899 0.035 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.150 7.954 2.373 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.846 6.022 -0.307 1.00 0.00 H new ATOM 0 HH TYR A 57 7.702 8.881 0.228 1.00 0.00 H new ATOM 913 N GLU A 58 8.085 2.208 3.184 1.00 0.00 N ATOM 914 CA GLU A 58 9.474 2.397 3.585 1.00 0.00 C ATOM 915 C GLU A 58 10.343 2.760 2.384 1.00 0.00 C ATOM 916 O GLU A 58 10.473 1.981 1.440 1.00 0.00 O ATOM 917 CB GLU A 58 10.012 1.129 4.252 1.00 0.00 C ATOM 918 CG GLU A 58 11.315 1.343 5.004 1.00 0.00 C ATOM 919 CD GLU A 58 12.002 0.040 5.364 1.00 0.00 C ATOM 920 OE1 GLU A 58 12.636 -0.561 4.471 1.00 0.00 O ATOM 921 OE2 GLU A 58 11.905 -0.379 6.536 1.00 0.00 O ATOM 0 H GLU A 58 7.907 1.343 2.674 1.00 0.00 H new ATOM 0 HA GLU A 58 9.510 3.219 4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.262 0.746 4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.163 0.364 3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.987 1.947 4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.116 1.908 5.915 1.00 0.00 H new ATOM 928 N SER A 59 10.935 3.949 2.427 1.00 0.00 N ATOM 929 CA SER A 59 11.788 4.419 1.342 1.00 0.00 C ATOM 930 C SER A 59 13.049 3.566 1.234 1.00 0.00 C ATOM 931 O SER A 59 13.823 3.461 2.185 1.00 0.00 O ATOM 932 CB SER A 59 12.167 5.885 1.560 1.00 0.00 C ATOM 933 OG SER A 59 11.110 6.598 2.177 1.00 0.00 O ATOM 0 H SER A 59 10.839 4.605 3.202 1.00 0.00 H new ATOM 0 HA SER A 59 11.230 4.331 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.061 5.944 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.412 6.347 0.603 1.00 0.00 H new ATOM 0 HG SER A 59 10.276 6.434 1.689 1.00 0.00 H new ATOM 939 N SER A 60 13.248 2.959 0.068 1.00 0.00 N ATOM 940 CA SER A 60 14.412 2.113 -0.164 1.00 0.00 C ATOM 941 C SER A 60 15.700 2.855 0.179 1.00 0.00 C ATOM 942 O SER A 60 16.671 2.257 0.644 1.00 0.00 O ATOM 943 CB SER A 60 14.450 1.650 -1.621 1.00 0.00 C ATOM 944 OG SER A 60 14.620 2.747 -2.501 1.00 0.00 O ATOM 0 H SER A 60 12.618 3.038 -0.730 1.00 0.00 H new ATOM 0 HA SER A 60 14.331 1.241 0.485 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.265 0.940 -1.759 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.526 1.125 -1.863 1.00 0.00 H new ATOM 0 HG SER A 60 14.643 2.424 -3.426 1.00 0.00 H new ATOM 950 N LYS A 61 15.702 4.163 -0.054 1.00 0.00 N ATOM 951 CA LYS A 61 16.869 4.990 0.231 1.00 0.00 C ATOM 952 C LYS A 61 17.048 5.180 1.733 1.00 0.00 C ATOM 953 O LYS A 61 18.165 5.363 2.217 1.00 0.00 O ATOM 954 CB LYS A 61 16.734 6.352 -0.454 1.00 0.00 C ATOM 955 CG LYS A 61 15.509 7.135 -0.014 1.00 0.00 C ATOM 956 CD LYS A 61 15.546 8.563 -0.530 1.00 0.00 C ATOM 957 CE LYS A 61 14.812 9.513 0.405 1.00 0.00 C ATOM 958 NZ LYS A 61 15.599 9.796 1.637 1.00 0.00 N ATOM 0 H LYS A 61 14.908 4.674 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 61 17.749 4.479 -0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.626 6.943 -0.248 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.692 6.204 -1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.609 6.639 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.452 7.142 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.582 8.885 -0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.094 8.605 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.605 10.448 -0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.850 9.081 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.952 9.919 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.242 9.001 1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.154 10.665 1.503 1.00 0.00 H new ATOM 972 N MET A 62 15.941 5.134 2.467 1.00 0.00 N ATOM 973 CA MET A 62 15.977 5.299 3.916 1.00 0.00 C ATOM 974 C MET A 62 15.265 4.143 4.612 1.00 0.00 C ATOM 975 O MET A 62 14.105 4.247 5.010 1.00 0.00 O ATOM 976 CB MET A 62 15.330 6.627 4.315 1.00 0.00 C ATOM 977 CG MET A 62 15.701 7.085 5.717 1.00 0.00 C ATOM 978 SD MET A 62 17.460 7.441 5.889 1.00 0.00 S ATOM 979 CE MET A 62 17.428 9.220 6.090 1.00 0.00 C ATOM 0 H MET A 62 15.008 4.984 2.083 1.00 0.00 H new ATOM 0 HA MET A 62 17.020 5.302 4.231 1.00 0.00 H new ATOM 0 HB2 MET A 62 15.625 7.395 3.600 1.00 0.00 H new ATOM 0 HB3 MET A 62 14.246 6.529 4.248 1.00 0.00 H new ATOM 0 HG2 MET A 62 15.128 7.978 5.967 1.00 0.00 H new ATOM 0 HG3 MET A 62 15.419 6.314 6.434 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.446 9.591 6.208 1.00 0.00 H new ATOM 0 HE2 MET A 62 16.975 9.677 5.210 1.00 0.00 H new ATOM 0 HE3 MET A 62 16.843 9.476 6.974 1.00 0.00 H new ATOM 989 N PRO A 63 15.974 3.015 4.763 1.00 0.00 N ATOM 990 CA PRO A 63 15.430 1.819 5.412 1.00 0.00 C ATOM 991 C PRO A 63 15.233 2.012 6.912 1.00 0.00 C ATOM 992 O PRO A 63 16.082 2.588 7.590 1.00 0.00 O ATOM 993 CB PRO A 63 16.497 0.754 5.145 1.00 0.00 C ATOM 994 CG PRO A 63 17.760 1.522 4.958 1.00 0.00 C ATOM 995 CD PRO A 63 17.363 2.821 4.312 1.00 0.00 C ATOM 0 HA PRO A 63 14.444 1.559 5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.578 0.056 5.979 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.256 0.166 4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.256 1.697 5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 63 18.462 0.972 4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.007 3.641 4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.429 2.766 3.225 1.00 0.00 H new ATOM 1003 N GLY A 64 14.106 1.525 7.423 1.00 0.00 N ATOM 1004 CA GLY A 64 13.818 1.654 8.840 1.00 0.00 C ATOM 1005 C GLY A 64 12.939 2.850 9.146 1.00 0.00 C ATOM 1006 O GLY A 64 12.287 2.898 10.190 1.00 0.00 O ATOM 0 H GLY A 64 13.388 1.044 6.882 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.327 0.747 9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.754 1.744 9.391 1.00 0.00 H new ATOM 1010 N ARG A 65 12.921 3.818 8.236 1.00 0.00 N ATOM 1011 CA ARG A 65 12.118 5.021 8.416 1.00 0.00 C ATOM 1012 C ARG A 65 10.900 5.004 7.497 1.00 0.00 C ATOM 1013 O ARG A 65 10.934 5.554 6.397 1.00 0.00 O ATOM 1014 CB ARG A 65 12.960 6.269 8.142 1.00 0.00 C ATOM 1015 CG ARG A 65 12.347 7.549 8.685 1.00 0.00 C ATOM 1016 CD ARG A 65 13.177 8.767 8.310 1.00 0.00 C ATOM 1017 NE ARG A 65 14.211 9.050 9.302 1.00 0.00 N ATOM 1018 CZ ARG A 65 13.951 9.448 10.542 1.00 0.00 C ATOM 1019 NH1 ARG A 65 12.697 9.608 10.941 1.00 0.00 N ATOM 1020 NH2 ARG A 65 14.947 9.686 11.386 1.00 0.00 N ATOM 0 H ARG A 65 13.454 3.793 7.366 1.00 0.00 H new ATOM 0 HA ARG A 65 11.772 5.045 9.449 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.948 6.134 8.582 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.102 6.372 7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.335 7.663 8.296 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.265 7.483 9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.642 8.604 7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.524 9.634 8.209 1.00 0.00 H new ATOM 0 HE ARG A 65 15.187 8.936 9.027 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.929 9.425 10.295 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.500 9.914 11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.913 9.563 11.082 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.747 9.992 12.338 1.00 0.00 H new ATOM 1034 N GLU A 66 9.827 4.369 7.957 1.00 0.00 N ATOM 1035 CA GLU A 66 8.599 4.279 7.174 1.00 0.00 C ATOM 1036 C GLU A 66 7.709 5.494 7.418 1.00 0.00 C ATOM 1037 O GLU A 66 7.567 5.955 8.551 1.00 0.00 O ATOM 1038 CB GLU A 66 7.839 2.998 7.522 1.00 0.00 C ATOM 1039 CG GLU A 66 7.434 2.909 8.984 1.00 0.00 C ATOM 1040 CD GLU A 66 6.562 1.702 9.275 1.00 0.00 C ATOM 1041 OE1 GLU A 66 7.115 0.593 9.427 1.00 0.00 O ATOM 1042 OE2 GLU A 66 5.327 1.868 9.351 1.00 0.00 O ATOM 0 H GLU A 66 9.782 3.910 8.867 1.00 0.00 H new ATOM 0 HA GLU A 66 8.871 4.256 6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.945 2.936 6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.460 2.138 7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.330 2.863 9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.898 3.816 9.265 1.00 0.00 H new ATOM 1049 N ILE A 67 7.114 6.008 6.347 1.00 0.00 N ATOM 1050 CA ILE A 67 6.237 7.169 6.444 1.00 0.00 C ATOM 1051 C ILE A 67 4.783 6.747 6.620 1.00 0.00 C ATOM 1052 O ILE A 67 4.278 5.904 5.879 1.00 0.00 O ATOM 1053 CB ILE A 67 6.353 8.067 5.198 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.756 8.671 5.106 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.299 9.164 5.237 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.760 7.765 4.428 1.00 0.00 C ATOM 0 H ILE A 67 7.223 5.639 5.402 1.00 0.00 H new ATOM 0 HA ILE A 67 6.556 7.734 7.320 1.00 0.00 H new ATOM 0 HB ILE A 67 6.182 7.457 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.702 9.613 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.109 8.904 6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.393 9.791 4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.306 8.714 5.260 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.441 9.774 6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.732 8.257 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.843 6.832 4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.430 7.552 3.411 1.00 0.00 H new ATOM 1068 N GLU A 68 4.115 7.340 7.604 1.00 0.00 N ATOM 1069 CA GLU A 68 2.717 7.025 7.876 1.00 0.00 C ATOM 1070 C GLU A 68 1.796 7.756 6.904 1.00 0.00 C ATOM 1071 O GLU A 68 1.780 8.987 6.852 1.00 0.00 O ATOM 1072 CB GLU A 68 2.357 7.398 9.315 1.00 0.00 C ATOM 1073 CG GLU A 68 3.222 6.708 10.357 1.00 0.00 C ATOM 1074 CD GLU A 68 4.696 7.023 10.192 1.00 0.00 C ATOM 1075 OE1 GLU A 68 5.047 8.221 10.165 1.00 0.00 O ATOM 1076 OE2 GLU A 68 5.499 6.071 10.091 1.00 0.00 O ATOM 0 H GLU A 68 4.519 8.041 8.226 1.00 0.00 H new ATOM 0 HA GLU A 68 2.581 5.952 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.449 8.477 9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.312 7.145 9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.898 7.013 11.352 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.075 5.630 10.290 1.00 0.00 H new ATOM 1083 N LEU A 69 1.029 6.991 6.134 1.00 0.00 N ATOM 1084 CA LEU A 69 0.105 7.565 5.163 1.00 0.00 C ATOM 1085 C LEU A 69 -1.228 7.911 5.818 1.00 0.00 C ATOM 1086 O LEU A 69 -2.224 7.213 5.627 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.120 6.590 4.006 1.00 0.00 C ATOM 1088 CG LEU A 69 1.140 6.017 3.357 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.797 4.805 2.504 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.840 7.078 2.521 1.00 0.00 C ATOM 0 H LEU A 69 1.029 5.971 6.164 1.00 0.00 H new ATOM 0 HA LEU A 69 0.547 8.483 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.727 5.761 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.702 7.098 3.237 1.00 0.00 H new ATOM 0 HG LEU A 69 1.820 5.699 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.706 4.411 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.341 4.037 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.098 5.098 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.735 6.652 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.167 7.427 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.121 7.917 3.158 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.240 8.993 6.590 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.452 9.431 7.272 1.00 0.00 C ATOM 1104 C GLU A 70 -3.479 9.956 6.273 1.00 0.00 C ATOM 1105 O GLU A 70 -4.645 9.564 6.301 1.00 0.00 O ATOM 1106 CB GLU A 70 -2.122 10.517 8.298 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.492 11.758 7.690 1.00 0.00 C ATOM 1108 CD GLU A 70 -1.032 12.753 8.739 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -1.898 13.316 9.441 1.00 0.00 O ATOM 1110 OE2 GLU A 70 0.192 12.969 8.857 1.00 0.00 O ATOM 0 H GLU A 70 -0.425 9.582 6.759 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.879 8.571 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.036 10.802 8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.444 10.105 9.045 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.641 11.465 7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.212 12.240 7.029 1.00 0.00 H new ATOM 1117 N ASN A 71 -3.036 10.846 5.390 1.00 0.00 N ATOM 1118 CA ASN A 71 -3.916 11.427 4.383 1.00 0.00 C ATOM 1119 C ASN A 71 -4.425 10.355 3.423 1.00 0.00 C ATOM 1120 O ASN A 71 -3.682 9.866 2.572 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.183 12.519 3.603 1.00 0.00 C ATOM 1122 CG ASN A 71 -3.273 13.873 4.280 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -2.453 14.207 5.136 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -4.273 14.659 3.900 1.00 0.00 N ATOM 0 H ASN A 71 -2.073 11.180 5.352 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.771 11.868 4.895 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.135 12.241 3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.603 12.589 2.600 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.385 15.581 4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.929 14.341 3.187 1.00 0.00 H new ATOM 1131 N ASP A 72 -5.696 9.996 3.565 1.00 0.00 N ATOM 1132 CA ASP A 72 -6.305 8.984 2.710 1.00 0.00 C ATOM 1133 C ASP A 72 -6.702 9.579 1.362 1.00 0.00 C ATOM 1134 O ASP A 72 -6.563 8.934 0.322 1.00 0.00 O ATOM 1135 CB ASP A 72 -7.531 8.378 3.395 1.00 0.00 C ATOM 1136 CG ASP A 72 -7.403 8.365 4.905 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -7.808 9.360 5.543 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -6.898 7.361 5.450 1.00 0.00 O ATOM 0 H ASP A 72 -6.325 10.391 4.264 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.569 8.198 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.418 8.945 3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.677 7.359 3.037 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.197 10.811 1.388 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.615 11.494 0.168 1.00 0.00 C ATOM 1145 C LEU A 73 -6.436 11.687 -0.779 1.00 0.00 C ATOM 1146 O LEU A 73 -6.619 11.931 -1.971 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.240 12.848 0.507 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.528 12.806 1.330 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -9.238 12.355 2.753 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.207 14.168 1.328 1.00 0.00 C ATOM 0 H LEU A 73 -7.319 11.358 2.240 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.359 10.873 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.504 13.439 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.445 13.374 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.205 12.084 0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.166 12.331 3.324 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.797 11.358 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.542 13.052 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.122 14.119 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.535 14.910 1.760 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.451 14.452 0.304 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.226 11.575 -0.240 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.017 11.737 -1.039 1.00 0.00 C ATOM 1164 C GLN A 74 -3.592 10.410 -1.658 1.00 0.00 C ATOM 1165 O GLN A 74 -3.631 9.358 -1.019 1.00 0.00 O ATOM 1166 CB GLN A 74 -2.883 12.298 -0.178 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.102 13.740 0.252 1.00 0.00 C ATOM 1168 CD GLN A 74 -2.733 14.734 -0.831 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -2.490 14.358 -1.979 1.00 0.00 O ATOM 1170 NE2 GLN A 74 -2.688 16.012 -0.472 1.00 0.00 N ATOM 0 H GLN A 74 -5.057 11.373 0.745 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.235 12.439 -1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.770 11.676 0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.948 12.231 -0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.148 13.879 0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.509 13.943 1.144 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.897 16.279 0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.445 16.726 -1.158 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.176 10.457 -2.932 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.735 9.266 -3.666 1.00 0.00 C ATOM 1181 C PRO A 75 -1.406 8.726 -3.149 1.00 0.00 C ATOM 1182 O PRO A 75 -0.816 9.283 -2.223 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.585 9.771 -5.103 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.331 11.232 -4.967 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.103 11.676 -3.755 1.00 0.00 C ATOM 0 HA PRO A 75 -3.437 8.439 -3.562 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.762 9.272 -5.614 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.485 9.578 -5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.267 11.433 -4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.659 11.769 -5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.596 12.486 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.095 12.041 -4.022 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.940 7.639 -3.753 1.00 0.00 N ATOM 1194 CA LEU A 76 0.321 7.023 -3.354 1.00 0.00 C ATOM 1195 C LEU A 76 1.508 7.812 -3.897 1.00 0.00 C ATOM 1196 O LEU A 76 2.577 7.840 -3.288 1.00 0.00 O ATOM 1197 CB LEU A 76 0.385 5.578 -3.851 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.490 4.571 -3.103 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -0.256 4.671 -1.604 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -1.959 4.794 -3.432 1.00 0.00 C ATOM 0 H LEU A 76 -1.416 7.166 -4.521 1.00 0.00 H new ATOM 0 HA LEU A 76 0.371 7.029 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.101 5.564 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.420 5.241 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.214 3.567 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.887 3.947 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.791 4.461 -1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.504 5.676 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.567 4.069 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.249 5.803 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.115 4.671 -4.504 1.00 0.00 H new ATOM 1212 N GLN A 77 1.311 8.454 -5.044 1.00 0.00 N ATOM 1213 CA GLN A 77 2.365 9.246 -5.667 1.00 0.00 C ATOM 1214 C GLN A 77 2.703 10.467 -4.818 1.00 0.00 C ATOM 1215 O GLN A 77 3.825 10.973 -4.858 1.00 0.00 O ATOM 1216 CB GLN A 77 1.940 9.686 -7.069 1.00 0.00 C ATOM 1217 CG GLN A 77 2.578 10.992 -7.516 1.00 0.00 C ATOM 1218 CD GLN A 77 4.075 10.871 -7.716 1.00 0.00 C ATOM 1219 OE1 GLN A 77 4.838 11.667 -6.976 1.00 0.00 O flip ATOM 1220 NE2 GLN A 77 4.542 10.072 -8.528 1.00 0.00 N flip ATOM 0 H GLN A 77 0.432 8.441 -5.561 1.00 0.00 H new ATOM 0 HA GLN A 77 3.256 8.623 -5.744 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.199 8.902 -7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.856 9.794 -7.094 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.116 11.317 -8.448 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.376 11.764 -6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.919 9.479 -9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.552 10.003 -8.653 1.00 0.00 H new ATOM 1229 N PHE A 78 1.725 10.937 -4.051 1.00 0.00 N ATOM 1230 CA PHE A 78 1.918 12.100 -3.193 1.00 0.00 C ATOM 1231 C PHE A 78 2.945 11.808 -2.103 1.00 0.00 C ATOM 1232 O PHE A 78 3.613 12.714 -1.605 1.00 0.00 O ATOM 1233 CB PHE A 78 0.590 12.519 -2.559 1.00 0.00 C ATOM 1234 CG PHE A 78 0.753 13.295 -1.284 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.871 14.676 -1.308 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.787 12.645 -0.061 1.00 0.00 C ATOM 1237 CE1 PHE A 78 1.022 15.392 -0.136 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.937 13.357 1.115 1.00 0.00 C ATOM 1239 CZ PHE A 78 1.054 14.732 1.077 1.00 0.00 C ATOM 0 H PHE A 78 0.791 10.530 -4.006 1.00 0.00 H new ATOM 0 HA PHE A 78 2.292 12.917 -3.810 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.030 13.123 -3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.005 11.628 -2.359 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.845 15.198 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.695 11.569 -0.026 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.115 16.468 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.963 12.838 2.062 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.170 15.291 1.994 1.00 0.00 H new ATOM 1249 N TYR A 79 3.064 10.537 -1.737 1.00 0.00 N ATOM 1250 CA TYR A 79 4.007 10.124 -0.704 1.00 0.00 C ATOM 1251 C TYR A 79 5.324 9.664 -1.321 1.00 0.00 C ATOM 1252 O TYR A 79 6.108 8.960 -0.685 1.00 0.00 O ATOM 1253 CB TYR A 79 3.408 9.000 0.143 1.00 0.00 C ATOM 1254 CG TYR A 79 2.382 9.479 1.146 1.00 0.00 C ATOM 1255 CD1 TYR A 79 2.772 10.061 2.345 1.00 0.00 C ATOM 1256 CD2 TYR A 79 1.022 9.349 0.893 1.00 0.00 C ATOM 1257 CE1 TYR A 79 1.838 10.498 3.264 1.00 0.00 C ATOM 1258 CE2 TYR A 79 0.081 9.785 1.805 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.494 10.359 2.990 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.439 10.795 3.902 1.00 0.00 O ATOM 0 H TYR A 79 2.519 9.775 -2.140 1.00 0.00 H new ATOM 0 HA TYR A 79 4.207 10.984 -0.065 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.944 8.267 -0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.211 8.488 0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.824 10.174 2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.695 8.899 -0.033 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.159 10.946 4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.972 9.677 1.592 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.075 11.552 4.406 1.00 0.00 H new ATOM 1270 N SER A 80 5.560 10.068 -2.565 1.00 0.00 N ATOM 1271 CA SER A 80 6.780 9.696 -3.271 1.00 0.00 C ATOM 1272 C SER A 80 6.950 8.180 -3.301 1.00 0.00 C ATOM 1273 O SER A 80 8.060 7.665 -3.171 1.00 0.00 O ATOM 1274 CB SER A 80 7.997 10.343 -2.607 1.00 0.00 C ATOM 1275 OG SER A 80 9.090 10.419 -3.506 1.00 0.00 O ATOM 0 H SER A 80 4.922 10.653 -3.105 1.00 0.00 H new ATOM 0 HA SER A 80 6.700 10.056 -4.297 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.737 11.343 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.285 9.766 -1.728 1.00 0.00 H new ATOM 0 HG SER A 80 9.286 9.526 -3.859 1.00 0.00 H new ATOM 1281 N VAL A 81 5.839 7.470 -3.473 1.00 0.00 N ATOM 1282 CA VAL A 81 5.863 6.013 -3.521 1.00 0.00 C ATOM 1283 C VAL A 81 5.988 5.513 -4.956 1.00 0.00 C ATOM 1284 O VAL A 81 5.124 5.776 -5.792 1.00 0.00 O ATOM 1285 CB VAL A 81 4.596 5.410 -2.887 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.541 3.908 -3.127 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.545 5.722 -1.399 1.00 0.00 C ATOM 0 H VAL A 81 4.911 7.880 -3.581 1.00 0.00 H new ATOM 0 HA VAL A 81 6.734 5.691 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 81 3.724 5.862 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.639 3.500 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.528 3.711 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.417 3.436 -2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.643 5.288 -0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.422 5.299 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.534 6.802 -1.254 1.00 0.00 H new ATOM 1297 N GLU A 82 7.068 4.789 -5.233 1.00 0.00 N ATOM 1298 CA GLU A 82 7.305 4.251 -6.568 1.00 0.00 C ATOM 1299 C GLU A 82 7.509 2.740 -6.517 1.00 0.00 C ATOM 1300 O GLU A 82 7.746 2.170 -5.453 1.00 0.00 O ATOM 1301 CB GLU A 82 8.526 4.921 -7.202 1.00 0.00 C ATOM 1302 CG GLU A 82 8.215 6.257 -7.856 1.00 0.00 C ATOM 1303 CD GLU A 82 9.449 6.925 -8.433 1.00 0.00 C ATOM 1304 OE1 GLU A 82 10.024 6.379 -9.397 1.00 0.00 O ATOM 1305 OE2 GLU A 82 9.838 7.994 -7.918 1.00 0.00 O ATOM 0 H GLU A 82 7.792 4.562 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 82 6.427 4.461 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.287 5.069 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.951 4.250 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.483 6.107 -8.649 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.758 6.919 -7.121 1.00 0.00 H new ATOM 1312 N ASN A 83 7.416 2.097 -7.677 1.00 0.00 N ATOM 1313 CA ASN A 83 7.589 0.652 -7.766 1.00 0.00 C ATOM 1314 C ASN A 83 8.898 0.220 -7.111 1.00 0.00 C ATOM 1315 O ASN A 83 9.942 0.834 -7.322 1.00 0.00 O ATOM 1316 CB ASN A 83 7.566 0.204 -9.229 1.00 0.00 C ATOM 1317 CG ASN A 83 8.449 1.064 -10.111 1.00 0.00 C ATOM 1318 OD1 ASN A 83 9.532 1.484 -9.703 1.00 0.00 O ATOM 1319 ND2 ASN A 83 7.990 1.330 -11.328 1.00 0.00 N ATOM 0 H ASN A 83 7.222 2.554 -8.568 1.00 0.00 H new ATOM 0 HA ASN A 83 6.763 0.178 -7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.893 -0.834 -9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.542 0.239 -9.601 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.541 1.904 -11.967 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.086 0.961 -11.624 1.00 0.00 H new ATOM 1326 N GLY A 84 8.832 -0.843 -6.315 1.00 0.00 N ATOM 1327 CA GLY A 84 10.017 -1.340 -5.641 1.00 0.00 C ATOM 1328 C GLY A 84 9.932 -1.196 -4.135 1.00 0.00 C ATOM 1329 O GLY A 84 10.409 -2.056 -3.394 1.00 0.00 O ATOM 0 H GLY A 84 7.979 -1.369 -6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.162 -2.390 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.891 -0.801 -6.005 1.00 0.00 H new ATOM 1333 N ASP A 85 9.324 -0.106 -3.680 1.00 0.00 N ATOM 1334 CA ASP A 85 9.178 0.149 -2.251 1.00 0.00 C ATOM 1335 C ASP A 85 8.488 -1.022 -1.559 1.00 0.00 C ATOM 1336 O ASP A 85 8.200 -2.044 -2.184 1.00 0.00 O ATOM 1337 CB ASP A 85 8.385 1.435 -2.019 1.00 0.00 C ATOM 1338 CG ASP A 85 9.011 2.634 -2.705 1.00 0.00 C ATOM 1339 OD1 ASP A 85 10.257 2.711 -2.742 1.00 0.00 O ATOM 1340 OD2 ASP A 85 8.256 3.494 -3.203 1.00 0.00 O ATOM 0 H ASP A 85 8.924 0.616 -4.280 1.00 0.00 H new ATOM 0 HA ASP A 85 10.174 0.265 -1.823 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.367 1.301 -2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.316 1.628 -0.948 1.00 0.00 H new ATOM 1345 N CYS A 86 8.225 -0.866 -0.266 1.00 0.00 N ATOM 1346 CA CYS A 86 7.569 -1.911 0.512 1.00 0.00 C ATOM 1347 C CYS A 86 6.373 -1.352 1.274 1.00 0.00 C ATOM 1348 O CYS A 86 6.506 -0.409 2.056 1.00 0.00 O ATOM 1349 CB CYS A 86 8.560 -2.546 1.489 1.00 0.00 C ATOM 1350 SG CYS A 86 9.739 -3.677 0.714 1.00 0.00 S ATOM 0 H CYS A 86 8.456 -0.026 0.265 1.00 0.00 H new ATOM 0 HA CYS A 86 7.211 -2.674 -0.179 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.112 -1.754 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.003 -3.087 2.254 1.00 0.00 H new ATOM 0 HG CYS A 86 10.536 -4.161 1.620 1.00 0.00 H new ATOM 1356 N LEU A 87 5.203 -1.937 1.041 1.00 0.00 N ATOM 1357 CA LEU A 87 3.981 -1.496 1.704 1.00 0.00 C ATOM 1358 C LEU A 87 3.821 -2.176 3.060 1.00 0.00 C ATOM 1359 O LEU A 87 3.827 -3.404 3.155 1.00 0.00 O ATOM 1360 CB LEU A 87 2.765 -1.792 0.825 1.00 0.00 C ATOM 1361 CG LEU A 87 2.682 -1.017 -0.490 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.561 -1.563 -1.362 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.478 0.467 -0.223 1.00 0.00 C ATOM 0 H LEU A 87 5.075 -2.718 0.398 1.00 0.00 H new ATOM 0 HA LEU A 87 4.052 -0.420 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.758 -2.858 0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.865 -1.584 1.403 1.00 0.00 H new ATOM 0 HG LEU A 87 3.624 -1.143 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.517 -0.999 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.750 -2.614 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.611 -1.468 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.421 1.003 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.551 0.613 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.315 0.850 0.361 1.00 0.00 H new ATOM 1375 N LEU A 88 3.676 -1.371 4.106 1.00 0.00 N ATOM 1376 CA LEU A 88 3.512 -1.895 5.458 1.00 0.00 C ATOM 1377 C LEU A 88 2.113 -1.601 5.990 1.00 0.00 C ATOM 1378 O LEU A 88 1.781 -0.455 6.291 1.00 0.00 O ATOM 1379 CB LEU A 88 4.563 -1.292 6.391 1.00 0.00 C ATOM 1380 CG LEU A 88 6.015 -1.394 5.923 1.00 0.00 C ATOM 1381 CD1 LEU A 88 6.842 -0.252 6.493 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.610 -2.737 6.323 1.00 0.00 C ATOM 0 H LEU A 88 3.669 -0.353 4.045 1.00 0.00 H new ATOM 0 HA LEU A 88 3.646 -2.976 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.324 -0.239 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.480 -1.780 7.362 1.00 0.00 H new ATOM 0 HG LEU A 88 6.032 -1.320 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.872 -0.342 6.149 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.429 0.699 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.818 -0.294 7.582 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.644 -2.793 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.579 -2.840 7.408 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.033 -3.541 5.866 1.00 0.00 H new ATOM 1394 N VAL A 89 1.298 -2.645 6.106 1.00 0.00 N ATOM 1395 CA VAL A 89 -0.064 -2.499 6.605 1.00 0.00 C ATOM 1396 C VAL A 89 -0.116 -2.674 8.119 1.00 0.00 C ATOM 1397 O VAL A 89 0.049 -3.780 8.632 1.00 0.00 O ATOM 1398 CB VAL A 89 -1.014 -3.518 5.949 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.391 -3.455 6.592 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -1.105 -3.272 4.450 1.00 0.00 C ATOM 0 H VAL A 89 1.557 -3.601 5.861 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.390 -1.491 6.347 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.611 -4.518 6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.049 -4.182 6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.307 -3.683 7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.805 -2.455 6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.780 -4.001 4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.484 -2.266 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.115 -3.372 4.004 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.348 -1.574 8.828 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.421 -1.605 10.284 1.00 0.00 C ATOM 1412 C ARG A 90 -1.711 -0.957 10.778 1.00 0.00 C ATOM 1413 O ARG A 90 -2.304 -0.128 10.087 1.00 0.00 O ATOM 1414 CB ARG A 90 0.787 -0.890 10.892 1.00 0.00 C ATOM 1415 CG ARG A 90 0.808 -0.916 12.412 1.00 0.00 C ATOM 1416 CD ARG A 90 1.930 -0.053 12.968 1.00 0.00 C ATOM 1417 NE ARG A 90 1.745 1.359 12.644 1.00 0.00 N ATOM 1418 CZ ARG A 90 2.456 2.338 13.194 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.393 2.060 14.089 1.00 0.00 N ATOM 1420 NH2 ARG A 90 2.229 3.599 12.847 1.00 0.00 N ATOM 0 H ARG A 90 -0.489 -0.651 8.418 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.414 -2.648 10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.700 -1.353 10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.793 0.146 10.555 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.149 -0.563 12.796 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.931 -1.942 12.758 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.978 -0.174 14.050 1.00 0.00 H new ATOM 0 HD3 ARG A 90 2.884 -0.395 12.567 1.00 0.00 H new ATOM 0 HE ARG A 90 1.032 1.607 11.959 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.570 1.092 14.358 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.937 2.814 14.509 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.509 3.817 12.158 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.775 4.350 13.269 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.139 -1.340 11.975 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.360 -0.797 12.560 1.00 0.00 C ATOM 1436 C TRP A 91 -3.293 -0.827 14.083 1.00 0.00 C ATOM 1437 O TRP A 91 -2.802 -1.789 14.673 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.578 -1.584 12.074 1.00 0.00 C ATOM 1439 CG TRP A 91 -4.582 -3.012 12.531 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.095 -3.497 13.700 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.048 -4.138 11.827 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -4.912 -4.857 13.765 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -4.272 -5.275 12.628 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.403 -4.298 10.597 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -3.873 -6.550 12.238 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.008 -5.564 10.212 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -3.244 -6.677 11.030 1.00 0.00 C ATOM 0 H TRP A 91 -1.659 -2.024 12.560 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.457 0.240 12.240 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.484 -1.094 12.429 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.608 -1.558 10.985 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -5.574 -2.899 14.461 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -5.205 -5.458 14.535 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.217 -3.447 9.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -4.054 -7.409 12.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.509 -5.699 9.264 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -2.923 -7.654 10.700 1.00 0.00 H new