USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=20 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 59 SER OG : rot 126:sc= 0.349 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 177:sc= 0.19 (180deg=-0.247) 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= -0.579 K(o=-0.58,f=-1.7) 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 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= -1.54 (180deg=-2.62!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -128:sc= -0.0712 (180deg=-0.323) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0128 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+ 154:sc= -3.31! (180deg=-6.07!) USER MOD Single : A 43 SER OG : rot 68:sc= 1.15 USER MOD Single : A 47 LYS NZ :NH3+ -164:sc= -0.0113 (180deg=-0.273) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.852 USER MOD Single : A 57 TYR OH : rot -62:sc= 1.3 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -107:sc= -7.41! (180deg=-12.2!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN :FLIP amide:sc= 0.918 F(o=-0.18,f=0.92) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.87 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -3.49! C(o=-3.5!,f=-12!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLN A 8 0.080 5.026 -13.785 1.00 0.00 N ATOM 67 CA GLN A 8 0.658 3.701 -13.980 1.00 0.00 C ATOM 68 C GLN A 8 0.584 2.881 -12.697 1.00 0.00 C ATOM 69 O GLN A 8 0.382 3.425 -11.610 1.00 0.00 O ATOM 70 CB GLN A 8 2.112 3.819 -14.441 1.00 0.00 C ATOM 71 CG GLN A 8 3.005 4.555 -13.456 1.00 0.00 C ATOM 72 CD GLN A 8 2.903 6.062 -13.590 1.00 0.00 C ATOM 73 OE1 GLN A 8 2.717 6.588 -14.688 1.00 0.00 O ATOM 74 NE2 GLN A 8 3.025 6.765 -12.470 1.00 0.00 N ATOM 0 HA GLN A 8 0.080 3.190 -14.750 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.514 2.819 -14.606 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.139 4.336 -15.400 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.736 4.265 -12.440 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.040 4.249 -13.611 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.178 6.287 -11.582 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.965 7.783 -12.498 1.00 0.00 H new ATOM 83 N LEU A 9 0.748 1.569 -12.828 1.00 0.00 N ATOM 84 CA LEU A 9 0.699 0.673 -11.679 1.00 0.00 C ATOM 85 C LEU A 9 2.084 0.501 -11.064 1.00 0.00 C ATOM 86 O LEU A 9 3.085 0.409 -11.776 1.00 0.00 O ATOM 87 CB LEU A 9 0.140 -0.690 -12.093 1.00 0.00 C ATOM 88 CG LEU A 9 -1.379 -0.843 -12.013 1.00 0.00 C ATOM 89 CD1 LEU A 9 -2.020 -0.505 -13.350 1.00 0.00 C ATOM 90 CD2 LEU A 9 -1.751 -2.255 -11.584 1.00 0.00 C ATOM 0 H LEU A 9 0.916 1.102 -13.719 1.00 0.00 H new ATOM 0 HA LEU A 9 0.041 1.117 -10.931 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.452 -0.893 -13.117 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.596 -1.454 -11.463 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.756 -0.146 -11.265 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.101 -0.619 -13.274 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.782 0.524 -13.618 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.637 -1.177 -14.118 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.836 -2.346 -11.532 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.361 -2.970 -12.309 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.323 -2.462 -10.603 1.00 0.00 H new ATOM 102 N LEU A 10 2.135 0.456 -9.737 1.00 0.00 N ATOM 103 CA LEU A 10 3.398 0.292 -9.025 1.00 0.00 C ATOM 104 C LEU A 10 3.492 -1.094 -8.394 1.00 0.00 C ATOM 105 O LEU A 10 2.504 -1.626 -7.887 1.00 0.00 O ATOM 106 CB LEU A 10 3.540 1.367 -7.945 1.00 0.00 C ATOM 107 CG LEU A 10 2.860 2.705 -8.236 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.155 3.706 -7.130 1.00 0.00 C ATOM 109 CD2 LEU A 10 3.309 3.249 -9.585 1.00 0.00 C ATOM 0 H LEU A 10 1.317 0.531 -9.133 1.00 0.00 H new ATOM 0 HA LEU A 10 4.209 0.399 -9.745 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.136 0.972 -7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.602 1.550 -7.780 1.00 0.00 H new ATOM 0 HG LEU A 10 1.783 2.543 -8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.663 4.652 -7.355 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.783 3.320 -6.181 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.231 3.865 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.815 4.202 -9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.389 3.395 -9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.045 2.540 -10.369 1.00 0.00 H new ATOM 121 N THR A 11 4.688 -1.673 -8.427 1.00 0.00 N ATOM 122 CA THR A 11 4.912 -2.996 -7.858 1.00 0.00 C ATOM 123 C THR A 11 5.573 -2.901 -6.488 1.00 0.00 C ATOM 124 O THR A 11 6.776 -2.656 -6.384 1.00 0.00 O ATOM 125 CB THR A 11 5.789 -3.863 -8.780 1.00 0.00 C ATOM 126 OG1 THR A 11 5.264 -3.849 -10.112 1.00 0.00 O ATOM 127 CG2 THR A 11 5.859 -5.295 -8.272 1.00 0.00 C ATOM 0 H THR A 11 5.516 -1.246 -8.842 1.00 0.00 H new ATOM 0 HA THR A 11 3.933 -3.465 -7.754 1.00 0.00 H new ATOM 0 HB THR A 11 6.796 -3.446 -8.783 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.829 -4.402 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.484 -5.888 -8.940 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.288 -5.305 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.856 -5.720 -8.242 1.00 0.00 H new ATOM 135 N LEU A 12 4.782 -3.097 -5.439 1.00 0.00 N ATOM 136 CA LEU A 12 5.292 -3.033 -4.074 1.00 0.00 C ATOM 137 C LEU A 12 4.996 -4.327 -3.322 1.00 0.00 C ATOM 138 O LEU A 12 4.231 -5.170 -3.791 1.00 0.00 O ATOM 139 CB LEU A 12 4.674 -1.847 -3.332 1.00 0.00 C ATOM 140 CG LEU A 12 4.616 -0.529 -4.105 1.00 0.00 C ATOM 141 CD1 LEU A 12 3.518 0.367 -3.552 1.00 0.00 C ATOM 142 CD2 LEU A 12 5.961 0.180 -4.053 1.00 0.00 C ATOM 0 H LEU A 12 3.785 -3.302 -5.507 1.00 0.00 H new ATOM 0 HA LEU A 12 6.373 -2.900 -4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.660 -2.117 -3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.240 -1.683 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 12 4.385 -0.752 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.492 1.300 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.556 -0.138 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.718 0.582 -2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.901 1.116 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.222 0.390 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.726 -0.457 -4.498 1.00 0.00 H new ATOM 154 N LYS A 13 5.606 -4.477 -2.151 1.00 0.00 N ATOM 155 CA LYS A 13 5.407 -5.666 -1.331 1.00 0.00 C ATOM 156 C LYS A 13 4.576 -5.341 -0.093 1.00 0.00 C ATOM 157 O LYS A 13 4.772 -4.304 0.542 1.00 0.00 O ATOM 158 CB LYS A 13 6.756 -6.254 -0.912 1.00 0.00 C ATOM 159 CG LYS A 13 7.449 -7.034 -2.016 1.00 0.00 C ATOM 160 CD LYS A 13 8.946 -7.131 -1.776 1.00 0.00 C ATOM 161 CE LYS A 13 9.572 -8.245 -2.601 1.00 0.00 C ATOM 162 NZ LYS A 13 11.043 -8.065 -2.751 1.00 0.00 N ATOM 0 H LYS A 13 6.243 -3.789 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 13 4.867 -6.401 -1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.409 -5.445 -0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.606 -6.910 -0.054 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.024 -8.036 -2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.264 -6.551 -2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.418 -6.181 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.135 -7.310 -0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.370 -9.205 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.107 -8.272 -3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.432 -8.844 -3.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.235 -7.160 -3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.490 -8.065 -1.812 1.00 0.00 H new ATOM 176 N ILE A 14 3.651 -6.233 0.244 1.00 0.00 N ATOM 177 CA ILE A 14 2.793 -6.041 1.407 1.00 0.00 C ATOM 178 C ILE A 14 3.138 -7.031 2.514 1.00 0.00 C ATOM 179 O ILE A 14 3.261 -8.232 2.272 1.00 0.00 O ATOM 180 CB ILE A 14 1.306 -6.195 1.040 1.00 0.00 C ATOM 181 CG1 ILE A 14 0.915 -5.181 -0.037 1.00 0.00 C ATOM 182 CG2 ILE A 14 0.435 -6.024 2.277 1.00 0.00 C ATOM 183 CD1 ILE A 14 1.206 -5.652 -1.444 1.00 0.00 C ATOM 0 H ILE A 14 3.476 -7.096 -0.271 1.00 0.00 H new ATOM 0 HA ILE A 14 2.967 -5.026 1.764 1.00 0.00 H new ATOM 0 HB ILE A 14 1.147 -7.197 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.149 -4.961 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.449 -4.248 0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.614 -6.136 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.699 -6.781 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.595 -5.033 2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.903 -4.883 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.274 -5.844 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.651 -6.569 -1.643 1.00 0.00 H new ATOM 195 N LYS A 15 3.292 -6.520 3.730 1.00 0.00 N ATOM 196 CA LYS A 15 3.620 -7.358 4.877 1.00 0.00 C ATOM 197 C LYS A 15 3.039 -6.775 6.162 1.00 0.00 C ATOM 198 O LYS A 15 3.323 -5.631 6.518 1.00 0.00 O ATOM 199 CB LYS A 15 5.137 -7.505 5.012 1.00 0.00 C ATOM 200 CG LYS A 15 5.571 -8.185 6.298 1.00 0.00 C ATOM 201 CD LYS A 15 7.019 -7.871 6.634 1.00 0.00 C ATOM 202 CE LYS A 15 7.318 -8.124 8.104 1.00 0.00 C ATOM 203 NZ LYS A 15 8.632 -7.552 8.509 1.00 0.00 N ATOM 0 H LYS A 15 3.195 -5.528 3.947 1.00 0.00 H new ATOM 0 HA LYS A 15 3.179 -8.341 4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.515 -8.076 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.595 -6.517 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.928 -7.861 7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.445 -9.263 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.678 -8.483 6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.232 -6.830 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.528 -7.688 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.314 -9.197 8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.799 -7.745 9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.389 -7.986 7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.627 -6.524 8.350 1.00 0.00 H new ATOM 217 N CYS A 16 2.227 -7.567 6.852 1.00 0.00 N ATOM 218 CA CYS A 16 1.607 -7.129 8.097 1.00 0.00 C ATOM 219 C CYS A 16 2.618 -7.136 9.240 1.00 0.00 C ATOM 220 O CYS A 16 3.019 -8.196 9.720 1.00 0.00 O ATOM 221 CB CYS A 16 0.420 -8.028 8.445 1.00 0.00 C ATOM 222 SG CYS A 16 -0.993 -7.849 7.331 1.00 0.00 S ATOM 0 H CYS A 16 1.982 -8.516 6.570 1.00 0.00 H new ATOM 0 HA CYS A 16 1.251 -6.108 7.957 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.749 -9.067 8.433 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.097 -7.808 9.462 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.945 -8.651 7.705 1.00 0.00 H new ATOM 340 N ILE A 24 5.107 -12.639 3.121 1.00 0.00 N ATOM 341 CA ILE A 24 5.059 -11.402 2.352 1.00 0.00 C ATOM 342 C ILE A 24 4.445 -11.634 0.976 1.00 0.00 C ATOM 343 O ILE A 24 4.666 -12.673 0.352 1.00 0.00 O ATOM 344 CB ILE A 24 6.463 -10.791 2.179 1.00 0.00 C ATOM 345 CG1 ILE A 24 7.168 -10.688 3.533 1.00 0.00 C ATOM 346 CG2 ILE A 24 6.368 -9.424 1.519 1.00 0.00 C ATOM 347 CD1 ILE A 24 8.635 -10.336 3.425 1.00 0.00 C ATOM 0 HA ILE A 24 4.436 -10.706 2.913 1.00 0.00 H new ATOM 0 HB ILE A 24 7.051 -11.444 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.665 -9.934 4.139 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.068 -11.638 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.368 -9.005 1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.902 -9.525 0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.766 -8.761 2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.070 -10.280 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.151 -11.102 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.742 -9.372 2.928 1.00 0.00 H new ATOM 359 N LEU A 25 3.674 -10.659 0.506 1.00 0.00 N ATOM 360 CA LEU A 25 3.029 -10.755 -0.798 1.00 0.00 C ATOM 361 C LEU A 25 3.404 -9.569 -1.681 1.00 0.00 C ATOM 362 O LEU A 25 4.208 -8.723 -1.290 1.00 0.00 O ATOM 363 CB LEU A 25 1.509 -10.822 -0.634 1.00 0.00 C ATOM 364 CG LEU A 25 1.002 -11.460 0.660 1.00 0.00 C ATOM 365 CD1 LEU A 25 -0.391 -10.950 0.996 1.00 0.00 C ATOM 366 CD2 LEU A 25 1.003 -12.977 0.543 1.00 0.00 C ATOM 0 H LEU A 25 3.481 -9.793 1.009 1.00 0.00 H new ATOM 0 HA LEU A 25 3.377 -11.668 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.112 -9.809 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.097 -11.378 -1.476 1.00 0.00 H new ATOM 0 HG LEU A 25 1.675 -11.178 1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.736 -11.415 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.361 -9.868 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.076 -11.201 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.639 -13.414 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.353 -13.279 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.017 -13.326 0.350 1.00 0.00 H new ATOM 378 N GLU A 26 2.815 -9.513 -2.871 1.00 0.00 N ATOM 379 CA GLU A 26 3.087 -8.429 -3.807 1.00 0.00 C ATOM 380 C GLU A 26 1.834 -8.065 -4.598 1.00 0.00 C ATOM 381 O GLU A 26 1.254 -8.905 -5.287 1.00 0.00 O ATOM 382 CB GLU A 26 4.211 -8.825 -4.767 1.00 0.00 C ATOM 383 CG GLU A 26 5.022 -7.644 -5.274 1.00 0.00 C ATOM 384 CD GLU A 26 6.201 -8.070 -6.127 1.00 0.00 C ATOM 385 OE1 GLU A 26 7.177 -8.608 -5.564 1.00 0.00 O ATOM 386 OE2 GLU A 26 6.148 -7.865 -7.358 1.00 0.00 O ATOM 0 H GLU A 26 2.147 -10.205 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 26 3.399 -7.557 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.879 -9.524 -4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.781 -9.352 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.376 -6.987 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.383 -7.065 -4.424 1.00 0.00 H new ATOM 393 N LYS A 27 1.420 -6.807 -4.493 1.00 0.00 N ATOM 394 CA LYS A 27 0.236 -6.329 -5.197 1.00 0.00 C ATOM 395 C LYS A 27 0.588 -5.179 -6.136 1.00 0.00 C ATOM 396 O LYS A 27 1.550 -4.448 -5.901 1.00 0.00 O ATOM 397 CB LYS A 27 -0.830 -5.876 -4.197 1.00 0.00 C ATOM 398 CG LYS A 27 -2.208 -5.707 -4.811 1.00 0.00 C ATOM 399 CD LYS A 27 -2.868 -7.049 -5.081 1.00 0.00 C ATOM 400 CE LYS A 27 -4.372 -6.906 -5.254 1.00 0.00 C ATOM 401 NZ LYS A 27 -5.083 -6.905 -3.945 1.00 0.00 N ATOM 0 H LYS A 27 1.887 -6.099 -3.926 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.159 -7.153 -5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.889 -6.604 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.521 -4.930 -3.753 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.836 -5.120 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.126 -5.147 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.438 -7.493 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.659 -7.731 -4.257 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.590 -5.980 -5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.746 -7.724 -5.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.637 -7.780 -3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.389 -6.850 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.720 -6.085 -3.897 1.00 0.00 H new ATOM 415 N GLN A 28 -0.197 -5.026 -7.197 1.00 0.00 N ATOM 416 CA GLN A 28 0.033 -3.964 -8.170 1.00 0.00 C ATOM 417 C GLN A 28 -1.198 -3.074 -8.305 1.00 0.00 C ATOM 418 O GLN A 28 -2.250 -3.517 -8.769 1.00 0.00 O ATOM 419 CB GLN A 28 0.398 -4.560 -9.530 1.00 0.00 C ATOM 420 CG GLN A 28 1.862 -4.953 -9.649 1.00 0.00 C ATOM 421 CD GLN A 28 2.252 -5.327 -11.065 1.00 0.00 C ATOM 422 OE1 GLN A 28 2.273 -6.505 -11.425 1.00 0.00 O ATOM 423 NE2 GLN A 28 2.565 -4.324 -11.878 1.00 0.00 N ATOM 0 H GLN A 28 -0.997 -5.623 -7.405 1.00 0.00 H new ATOM 0 HA GLN A 28 0.863 -3.353 -7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.221 -5.439 -9.710 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.160 -3.837 -10.310 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.485 -4.125 -9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.063 -5.795 -8.986 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.534 -3.363 -11.538 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.836 -4.515 -12.843 1.00 0.00 H new ATOM 432 N LEU A 29 -1.061 -1.817 -7.897 1.00 0.00 N ATOM 433 CA LEU A 29 -2.163 -0.864 -7.973 1.00 0.00 C ATOM 434 C LEU A 29 -1.721 0.426 -8.657 1.00 0.00 C ATOM 435 O LEU A 29 -0.556 0.821 -8.599 1.00 0.00 O ATOM 436 CB LEU A 29 -2.693 -0.555 -6.571 1.00 0.00 C ATOM 437 CG LEU A 29 -2.867 -1.755 -5.640 1.00 0.00 C ATOM 438 CD1 LEU A 29 -3.823 -2.770 -6.249 1.00 0.00 C ATOM 439 CD2 LEU A 29 -1.521 -2.399 -5.343 1.00 0.00 C ATOM 0 H LEU A 29 -0.198 -1.434 -7.510 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.960 -1.314 -8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.014 0.153 -6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.656 -0.055 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.294 -1.403 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.934 -3.617 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.795 -2.304 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.426 -3.118 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.664 -3.251 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.066 -2.737 -6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.867 -1.671 -4.863 1.00 0.00 H new ATOM 451 N PRO A 30 -2.672 1.100 -9.320 1.00 0.00 N ATOM 452 CA PRO A 30 -2.406 2.357 -10.026 1.00 0.00 C ATOM 453 C PRO A 30 -2.118 3.509 -9.070 1.00 0.00 C ATOM 454 O PRO A 30 -2.959 3.870 -8.246 1.00 0.00 O ATOM 455 CB PRO A 30 -3.703 2.613 -10.796 1.00 0.00 C ATOM 456 CG PRO A 30 -4.754 1.898 -10.018 1.00 0.00 C ATOM 457 CD PRO A 30 -4.082 0.688 -9.431 1.00 0.00 C ATOM 0 HA PRO A 30 -1.523 2.288 -10.662 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.918 3.679 -10.865 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.639 2.234 -11.816 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.162 2.537 -9.235 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.586 1.609 -10.660 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.502 0.427 -8.460 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.196 -0.186 -10.073 1.00 0.00 H new ATOM 465 N ASP A 31 -0.925 4.083 -9.184 1.00 0.00 N ATOM 466 CA ASP A 31 -0.527 5.196 -8.330 1.00 0.00 C ATOM 467 C ASP A 31 -1.634 6.242 -8.250 1.00 0.00 C ATOM 468 O ASP A 31 -1.670 7.053 -7.325 1.00 0.00 O ATOM 469 CB ASP A 31 0.759 5.835 -8.856 1.00 0.00 C ATOM 470 CG ASP A 31 0.527 6.657 -10.109 1.00 0.00 C ATOM 471 OD1 ASP A 31 -0.157 6.158 -11.027 1.00 0.00 O ATOM 472 OD2 ASP A 31 1.030 7.799 -10.171 1.00 0.00 O ATOM 0 H ASP A 31 -0.217 3.796 -9.860 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.347 4.807 -7.328 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.188 6.471 -8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.489 5.054 -9.067 1.00 0.00 H new ATOM 477 N SER A 32 -2.535 6.219 -9.227 1.00 0.00 N ATOM 478 CA SER A 32 -3.641 7.169 -9.270 1.00 0.00 C ATOM 479 C SER A 32 -4.613 6.922 -8.121 1.00 0.00 C ATOM 480 O SER A 32 -5.127 7.863 -7.516 1.00 0.00 O ATOM 481 CB SER A 32 -4.377 7.067 -10.607 1.00 0.00 C ATOM 482 OG SER A 32 -3.848 7.983 -11.551 1.00 0.00 O ATOM 0 H SER A 32 -2.521 5.553 -9.999 1.00 0.00 H new ATOM 0 HA SER A 32 -3.230 8.173 -9.166 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.294 6.052 -10.995 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.438 7.266 -10.458 1.00 0.00 H new ATOM 0 HG SER A 32 -4.334 7.897 -12.398 1.00 0.00 H new ATOM 488 N MET A 33 -4.861 5.650 -7.826 1.00 0.00 N ATOM 489 CA MET A 33 -5.772 5.279 -6.749 1.00 0.00 C ATOM 490 C MET A 33 -5.447 6.050 -5.474 1.00 0.00 C ATOM 491 O MET A 33 -4.282 6.191 -5.100 1.00 0.00 O ATOM 492 CB MET A 33 -5.695 3.774 -6.483 1.00 0.00 C ATOM 493 CG MET A 33 -6.977 3.192 -5.912 1.00 0.00 C ATOM 494 SD MET A 33 -7.253 1.486 -6.425 1.00 0.00 S ATOM 495 CE MET A 33 -6.602 0.598 -5.012 1.00 0.00 C ATOM 0 H MET A 33 -4.444 4.859 -8.317 1.00 0.00 H new ATOM 0 HA MET A 33 -6.785 5.534 -7.059 1.00 0.00 H new ATOM 0 HB2 MET A 33 -5.456 3.260 -7.414 1.00 0.00 H new ATOM 0 HB3 MET A 33 -4.876 3.577 -5.791 1.00 0.00 H new ATOM 0 HG2 MET A 33 -6.940 3.239 -4.824 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.822 3.804 -6.228 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.881 -0.146 -5.351 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.111 1.299 -4.337 1.00 0.00 H new ATOM 0 HE3 MET A 33 -7.418 0.100 -4.488 1.00 0.00 H new ATOM 505 N THR A 34 -6.485 6.548 -4.808 1.00 0.00 N ATOM 506 CA THR A 34 -6.310 7.306 -3.576 1.00 0.00 C ATOM 507 C THR A 34 -6.031 6.381 -2.397 1.00 0.00 C ATOM 508 O THR A 34 -6.605 5.296 -2.296 1.00 0.00 O ATOM 509 CB THR A 34 -7.553 8.160 -3.260 1.00 0.00 C ATOM 510 OG1 THR A 34 -8.742 7.386 -3.455 1.00 0.00 O ATOM 511 CG2 THR A 34 -7.597 9.398 -4.143 1.00 0.00 C ATOM 0 H THR A 34 -7.456 6.439 -5.102 1.00 0.00 H new ATOM 0 HA THR A 34 -5.455 7.965 -3.729 1.00 0.00 H new ATOM 0 HB THR A 34 -7.494 8.477 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.527 7.935 -3.250 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.483 9.985 -3.902 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.705 10.000 -3.971 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.635 9.097 -5.190 1.00 0.00 H new ATOM 519 N VAL A 35 -5.146 6.816 -1.505 1.00 0.00 N ATOM 520 CA VAL A 35 -4.792 6.027 -0.331 1.00 0.00 C ATOM 521 C VAL A 35 -6.005 5.288 0.221 1.00 0.00 C ATOM 522 O VAL A 35 -5.944 4.089 0.489 1.00 0.00 O ATOM 523 CB VAL A 35 -4.194 6.911 0.779 1.00 0.00 C ATOM 524 CG1 VAL A 35 -3.885 6.080 2.015 1.00 0.00 C ATOM 525 CG2 VAL A 35 -2.945 7.622 0.279 1.00 0.00 C ATOM 0 H VAL A 35 -4.661 7.711 -1.573 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.044 5.302 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.930 7.667 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.463 6.722 2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.803 5.622 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.168 5.300 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.536 8.242 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.203 6.884 -0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.201 8.250 -0.574 1.00 0.00 H new ATOM 535 N GLN A 36 -7.107 6.013 0.387 1.00 0.00 N ATOM 536 CA GLN A 36 -8.336 5.425 0.908 1.00 0.00 C ATOM 537 C GLN A 36 -8.673 4.130 0.175 1.00 0.00 C ATOM 538 O GLN A 36 -8.892 3.091 0.798 1.00 0.00 O ATOM 539 CB GLN A 36 -9.495 6.415 0.778 1.00 0.00 C ATOM 540 CG GLN A 36 -10.572 6.233 1.835 1.00 0.00 C ATOM 541 CD GLN A 36 -11.911 6.801 1.408 1.00 0.00 C ATOM 542 OE1 GLN A 36 -12.866 6.061 1.172 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.987 8.123 1.306 1.00 0.00 N ATOM 0 H GLN A 36 -7.174 7.007 0.169 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.181 5.195 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.103 7.430 0.841 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.945 6.308 -0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.685 5.171 2.054 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.254 6.717 2.759 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.170 8.698 1.511 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.862 8.563 1.022 1.00 0.00 H new ATOM 552 N LYS A 37 -8.714 4.200 -1.151 1.00 0.00 N ATOM 553 CA LYS A 37 -9.023 3.034 -1.970 1.00 0.00 C ATOM 554 C LYS A 37 -8.095 1.872 -1.634 1.00 0.00 C ATOM 555 O LYS A 37 -8.535 0.729 -1.508 1.00 0.00 O ATOM 556 CB LYS A 37 -8.905 3.383 -3.455 1.00 0.00 C ATOM 557 CG LYS A 37 -10.205 3.872 -4.070 1.00 0.00 C ATOM 558 CD LYS A 37 -11.008 2.726 -4.663 1.00 0.00 C ATOM 559 CE LYS A 37 -12.500 3.018 -4.635 1.00 0.00 C ATOM 560 NZ LYS A 37 -12.875 4.081 -5.609 1.00 0.00 N ATOM 0 H LYS A 37 -8.537 5.053 -1.682 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.048 2.731 -1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.142 4.152 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.563 2.503 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.800 4.379 -3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.988 4.605 -4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.690 2.551 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.805 1.811 -4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.053 2.106 -4.861 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.791 3.326 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.900 4.251 -5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.367 4.958 -5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.621 3.776 -6.570 1.00 0.00 H new ATOM 574 N VAL A 38 -6.807 2.171 -1.490 1.00 0.00 N ATOM 575 CA VAL A 38 -5.817 1.151 -1.167 1.00 0.00 C ATOM 576 C VAL A 38 -6.130 0.485 0.169 1.00 0.00 C ATOM 577 O VAL A 38 -5.949 -0.722 0.331 1.00 0.00 O ATOM 578 CB VAL A 38 -4.397 1.745 -1.112 1.00 0.00 C ATOM 579 CG1 VAL A 38 -3.359 0.638 -1.006 1.00 0.00 C ATOM 580 CG2 VAL A 38 -4.137 2.616 -2.331 1.00 0.00 C ATOM 0 H VAL A 38 -6.426 3.111 -1.592 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.860 0.405 -1.961 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.318 2.371 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.362 1.077 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.535 0.059 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.435 -0.016 -1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.129 3.028 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.235 2.015 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.861 3.431 -2.357 1.00 0.00 H new ATOM 590 N LYS A 39 -6.601 1.280 1.123 1.00 0.00 N ATOM 591 CA LYS A 39 -6.942 0.769 2.446 1.00 0.00 C ATOM 592 C LYS A 39 -8.203 -0.086 2.390 1.00 0.00 C ATOM 593 O LYS A 39 -8.218 -1.219 2.869 1.00 0.00 O ATOM 594 CB LYS A 39 -7.140 1.927 3.427 1.00 0.00 C ATOM 595 CG LYS A 39 -6.281 3.141 3.117 1.00 0.00 C ATOM 596 CD LYS A 39 -5.893 3.887 4.383 1.00 0.00 C ATOM 597 CE LYS A 39 -4.537 3.435 4.902 1.00 0.00 C ATOM 598 NZ LYS A 39 -3.433 4.297 4.394 1.00 0.00 N ATOM 0 H LYS A 39 -6.756 2.281 1.005 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.117 0.146 2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.189 2.223 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.914 1.580 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.381 2.826 2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.824 3.811 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.869 4.958 4.183 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.650 3.723 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.541 3.454 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.359 2.402 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.636 4.269 5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.120 3.949 3.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.772 5.276 4.300 1.00 0.00 H new ATOM 612 N GLY A 40 -9.261 0.464 1.802 1.00 0.00 N ATOM 613 CA GLY A 40 -10.512 -0.263 1.694 1.00 0.00 C ATOM 614 C GLY A 40 -10.349 -1.596 0.990 1.00 0.00 C ATOM 615 O GLY A 40 -11.227 -2.456 1.062 1.00 0.00 O ATOM 0 H GLY A 40 -9.274 1.401 1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.919 -0.430 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.236 0.345 1.152 1.00 0.00 H new ATOM 619 N LEU A 41 -9.223 -1.767 0.306 1.00 0.00 N ATOM 620 CA LEU A 41 -8.948 -3.005 -0.416 1.00 0.00 C ATOM 621 C LEU A 41 -8.641 -4.143 0.551 1.00 0.00 C ATOM 622 O LEU A 41 -9.122 -5.264 0.380 1.00 0.00 O ATOM 623 CB LEU A 41 -7.774 -2.807 -1.378 1.00 0.00 C ATOM 624 CG LEU A 41 -7.084 -4.081 -1.866 1.00 0.00 C ATOM 625 CD1 LEU A 41 -7.868 -4.709 -3.008 1.00 0.00 C ATOM 626 CD2 LEU A 41 -5.656 -3.782 -2.297 1.00 0.00 C ATOM 0 H LEU A 41 -8.486 -1.065 0.236 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.838 -3.269 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.132 -2.256 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.030 -2.180 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.052 -4.793 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.362 -5.615 -3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.872 -4.960 -2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.933 -4.003 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.180 -4.700 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.666 -3.052 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.098 -3.379 -1.452 1.00 0.00 H new ATOM 638 N LEU A 42 -7.838 -3.848 1.568 1.00 0.00 N ATOM 639 CA LEU A 42 -7.469 -4.847 2.565 1.00 0.00 C ATOM 640 C LEU A 42 -8.480 -4.877 3.707 1.00 0.00 C ATOM 641 O LEU A 42 -8.804 -5.941 4.234 1.00 0.00 O ATOM 642 CB LEU A 42 -6.071 -4.554 3.114 1.00 0.00 C ATOM 643 CG LEU A 42 -4.916 -4.702 2.124 1.00 0.00 C ATOM 644 CD1 LEU A 42 -3.658 -4.045 2.669 1.00 0.00 C ATOM 645 CD2 LEU A 42 -4.662 -6.171 1.816 1.00 0.00 C ATOM 0 H LEU A 42 -7.430 -2.926 1.724 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.467 -5.824 2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.061 -3.536 3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.887 -5.219 3.958 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.191 -4.199 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.847 -4.161 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.845 -2.984 2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.379 -4.518 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.836 -6.257 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.409 -6.697 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.559 -6.612 1.381 1.00 0.00 H new ATOM 657 N SER A 43 -8.977 -3.702 4.081 1.00 0.00 N ATOM 658 CA SER A 43 -9.951 -3.594 5.161 1.00 0.00 C ATOM 659 C SER A 43 -10.872 -4.810 5.186 1.00 0.00 C ATOM 660 O SER A 43 -11.092 -5.414 6.236 1.00 0.00 O ATOM 661 CB SER A 43 -10.778 -2.316 5.004 1.00 0.00 C ATOM 662 OG SER A 43 -12.049 -2.454 5.614 1.00 0.00 O ATOM 0 H SER A 43 -8.721 -2.812 3.652 1.00 0.00 H new ATOM 0 HA SER A 43 -9.407 -3.553 6.105 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.245 -1.477 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.902 -2.087 3.946 1.00 0.00 H new ATOM 0 HG SER A 43 -11.941 -2.510 6.586 1.00 0.00 H new ATOM 668 N ARG A 44 -11.408 -5.162 4.022 1.00 0.00 N ATOM 669 CA ARG A 44 -12.307 -6.304 3.909 1.00 0.00 C ATOM 670 C ARG A 44 -11.572 -7.606 4.216 1.00 0.00 C ATOM 671 O ARG A 44 -12.070 -8.451 4.962 1.00 0.00 O ATOM 672 CB ARG A 44 -12.912 -6.367 2.506 1.00 0.00 C ATOM 673 CG ARG A 44 -13.811 -5.186 2.177 1.00 0.00 C ATOM 674 CD ARG A 44 -15.183 -5.335 2.817 1.00 0.00 C ATOM 675 NE ARG A 44 -15.917 -6.477 2.280 1.00 0.00 N ATOM 676 CZ ARG A 44 -17.240 -6.583 2.315 1.00 0.00 C ATOM 677 NH1 ARG A 44 -17.971 -5.619 2.858 1.00 0.00 N ATOM 678 NH2 ARG A 44 -17.836 -7.653 1.805 1.00 0.00 N ATOM 0 H ARG A 44 -11.235 -4.673 3.144 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.108 -6.178 4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.106 -6.414 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.486 -7.288 2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.344 -4.264 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.920 -5.100 1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.069 -5.452 3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -15.760 -4.425 2.654 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.384 -7.235 1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.517 -4.794 3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.987 -5.703 2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.278 -8.396 1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.853 -7.732 1.833 1.00 0.00 H new ATOM 692 N LEU A 45 -10.387 -7.761 3.637 1.00 0.00 N ATOM 693 CA LEU A 45 -9.583 -8.961 3.848 1.00 0.00 C ATOM 694 C LEU A 45 -9.229 -9.126 5.323 1.00 0.00 C ATOM 695 O LEU A 45 -9.486 -10.172 5.920 1.00 0.00 O ATOM 696 CB LEU A 45 -8.306 -8.897 3.010 1.00 0.00 C ATOM 697 CG LEU A 45 -7.187 -9.856 3.416 1.00 0.00 C ATOM 698 CD1 LEU A 45 -7.719 -11.276 3.537 1.00 0.00 C ATOM 699 CD2 LEU A 45 -6.043 -9.797 2.415 1.00 0.00 C ATOM 0 H LEU A 45 -9.961 -7.071 3.018 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.172 -9.823 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.567 -9.095 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.918 -7.879 3.053 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.807 -9.548 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.908 -11.945 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.503 -11.307 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.127 -11.595 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.256 -10.486 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.409 -10.079 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.644 -8.784 2.378 1.00 0.00 H new ATOM 711 N LEU A 46 -8.641 -8.087 5.905 1.00 0.00 N ATOM 712 CA LEU A 46 -8.253 -8.116 7.311 1.00 0.00 C ATOM 713 C LEU A 46 -9.402 -7.655 8.202 1.00 0.00 C ATOM 714 O LEU A 46 -9.232 -7.468 9.407 1.00 0.00 O ATOM 715 CB LEU A 46 -7.028 -7.229 7.541 1.00 0.00 C ATOM 716 CG LEU A 46 -5.725 -7.705 6.897 1.00 0.00 C ATOM 717 CD1 LEU A 46 -4.796 -6.529 6.641 1.00 0.00 C ATOM 718 CD2 LEU A 46 -5.044 -8.743 7.777 1.00 0.00 C ATOM 0 H LEU A 46 -8.422 -7.214 5.425 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.004 -9.144 7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.252 -6.230 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.867 -7.137 8.615 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.963 -8.169 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.874 -6.887 6.183 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.283 -5.820 5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.564 -6.036 7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.119 -9.071 7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.819 -8.304 8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.706 -9.598 7.910 1.00 0.00 H new ATOM 730 N LYS A 47 -10.575 -7.477 7.602 1.00 0.00 N ATOM 731 CA LYS A 47 -11.754 -7.042 8.340 1.00 0.00 C ATOM 732 C LYS A 47 -11.432 -5.839 9.221 1.00 0.00 C ATOM 733 O LYS A 47 -12.058 -5.634 10.261 1.00 0.00 O ATOM 734 CB LYS A 47 -12.294 -8.187 9.200 1.00 0.00 C ATOM 735 CG LYS A 47 -12.546 -9.467 8.421 1.00 0.00 C ATOM 736 CD LYS A 47 -11.320 -10.363 8.408 1.00 0.00 C ATOM 737 CE LYS A 47 -11.629 -11.722 7.800 1.00 0.00 C ATOM 738 NZ LYS A 47 -12.569 -12.508 8.647 1.00 0.00 N ATOM 0 H LYS A 47 -10.734 -7.628 6.606 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.515 -6.748 7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.585 -8.393 10.002 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.224 -7.869 9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.385 -10.004 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.829 -9.221 7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.523 -9.882 7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.953 -10.494 9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.060 -11.587 6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.702 -12.281 7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.546 -13.506 8.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.285 -12.431 9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.533 -12.136 8.532 1.00 0.00 H new ATOM 752 N VAL A 48 -10.454 -5.046 8.797 1.00 0.00 N ATOM 753 CA VAL A 48 -10.051 -3.862 9.546 1.00 0.00 C ATOM 754 C VAL A 48 -10.581 -2.591 8.891 1.00 0.00 C ATOM 755 O VAL A 48 -10.538 -2.426 7.672 1.00 0.00 O ATOM 756 CB VAL A 48 -8.518 -3.765 9.660 1.00 0.00 C ATOM 757 CG1 VAL A 48 -8.114 -2.474 10.356 1.00 0.00 C ATOM 758 CG2 VAL A 48 -7.962 -4.974 10.398 1.00 0.00 C ATOM 0 H VAL A 48 -9.926 -5.202 7.938 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.477 -3.959 10.544 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.096 -3.755 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.027 -2.424 10.427 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.480 -1.622 9.783 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.545 -2.450 11.357 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.878 -4.889 10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.390 -5.017 11.400 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.220 -5.883 9.854 1.00 0.00 H new ATOM 768 N PRO A 49 -11.094 -1.669 9.720 1.00 0.00 N ATOM 769 CA PRO A 49 -11.643 -0.395 9.244 1.00 0.00 C ATOM 770 C PRO A 49 -10.561 0.540 8.715 1.00 0.00 C ATOM 771 O PRO A 49 -9.486 0.657 9.303 1.00 0.00 O ATOM 772 CB PRO A 49 -12.298 0.197 10.494 1.00 0.00 C ATOM 773 CG PRO A 49 -11.562 -0.417 11.635 1.00 0.00 C ATOM 774 CD PRO A 49 -11.178 -1.799 11.184 1.00 0.00 C ATOM 0 HA PRO A 49 -12.331 -0.533 8.410 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.214 1.284 10.508 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.361 -0.041 10.534 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.679 0.169 11.891 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.188 -0.457 12.527 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.227 -2.113 11.615 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.921 -2.539 11.480 1.00 0.00 H new ATOM 782 N VAL A 50 -10.853 1.205 7.602 1.00 0.00 N ATOM 783 CA VAL A 50 -9.906 2.132 6.994 1.00 0.00 C ATOM 784 C VAL A 50 -9.524 3.243 7.966 1.00 0.00 C ATOM 785 O VAL A 50 -8.436 3.813 7.878 1.00 0.00 O ATOM 786 CB VAL A 50 -10.481 2.762 5.712 1.00 0.00 C ATOM 787 CG1 VAL A 50 -9.589 3.895 5.227 1.00 0.00 C ATOM 788 CG2 VAL A 50 -10.650 1.706 4.630 1.00 0.00 C ATOM 0 H VAL A 50 -11.738 1.119 7.103 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.017 1.555 6.739 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.463 3.177 5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.011 4.328 4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.523 4.662 5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.593 3.508 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -11.057 2.168 3.731 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.682 1.260 4.402 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.332 0.932 4.981 1.00 0.00 H new ATOM 798 N SER A 51 -10.427 3.547 8.893 1.00 0.00 N ATOM 799 CA SER A 51 -10.186 4.593 9.880 1.00 0.00 C ATOM 800 C SER A 51 -9.034 4.212 10.806 1.00 0.00 C ATOM 801 O SER A 51 -8.418 5.073 11.433 1.00 0.00 O ATOM 802 CB SER A 51 -11.451 4.849 10.701 1.00 0.00 C ATOM 803 OG SER A 51 -11.280 5.955 11.570 1.00 0.00 O ATOM 0 H SER A 51 -11.332 3.084 8.981 1.00 0.00 H new ATOM 0 HA SER A 51 -9.915 5.505 9.348 1.00 0.00 H new ATOM 0 HB2 SER A 51 -12.291 5.035 10.032 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.697 3.960 11.282 1.00 0.00 H new ATOM 0 HG SER A 51 -12.103 6.099 12.082 1.00 0.00 H new ATOM 809 N GLU A 52 -8.751 2.916 10.885 1.00 0.00 N ATOM 810 CA GLU A 52 -7.674 2.420 11.734 1.00 0.00 C ATOM 811 C GLU A 52 -6.501 1.926 10.892 1.00 0.00 C ATOM 812 O GLU A 52 -5.339 2.140 11.240 1.00 0.00 O ATOM 813 CB GLU A 52 -8.182 1.292 12.634 1.00 0.00 C ATOM 814 CG GLU A 52 -9.086 1.770 13.757 1.00 0.00 C ATOM 815 CD GLU A 52 -9.244 0.738 14.857 1.00 0.00 C ATOM 816 OE1 GLU A 52 -9.834 -0.330 14.588 1.00 0.00 O ATOM 817 OE2 GLU A 52 -8.778 0.998 15.987 1.00 0.00 O ATOM 0 H GLU A 52 -9.252 2.191 10.372 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.329 3.244 12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.725 0.569 12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.328 0.769 13.064 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.679 2.688 14.181 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.067 2.015 13.350 1.00 0.00 H new ATOM 824 N LEU A 53 -6.814 1.263 9.784 1.00 0.00 N ATOM 825 CA LEU A 53 -5.787 0.737 8.892 1.00 0.00 C ATOM 826 C LEU A 53 -4.620 1.711 8.770 1.00 0.00 C ATOM 827 O LEU A 53 -4.688 2.689 8.023 1.00 0.00 O ATOM 828 CB LEU A 53 -6.379 0.457 7.510 1.00 0.00 C ATOM 829 CG LEU A 53 -7.060 -0.901 7.333 1.00 0.00 C ATOM 830 CD1 LEU A 53 -7.881 -0.924 6.054 1.00 0.00 C ATOM 831 CD2 LEU A 53 -6.027 -2.019 7.327 1.00 0.00 C ATOM 0 H LEU A 53 -7.770 1.077 9.482 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.415 -0.195 9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.105 1.237 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.581 0.540 6.772 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.734 -1.061 8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.358 -1.898 5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.646 -0.149 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.229 -0.742 5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.529 -2.978 7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.328 -1.864 6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.483 -2.017 8.271 1.00 0.00 H new ATOM 843 N LEU A 54 -3.548 1.438 9.506 1.00 0.00 N ATOM 844 CA LEU A 54 -2.364 2.290 9.479 1.00 0.00 C ATOM 845 C LEU A 54 -1.335 1.760 8.486 1.00 0.00 C ATOM 846 O LEU A 54 -0.563 0.853 8.800 1.00 0.00 O ATOM 847 CB LEU A 54 -1.744 2.379 10.874 1.00 0.00 C ATOM 848 CG LEU A 54 -2.393 3.376 11.835 1.00 0.00 C ATOM 849 CD1 LEU A 54 -1.865 3.178 13.247 1.00 0.00 C ATOM 850 CD2 LEU A 54 -2.149 4.803 11.368 1.00 0.00 C ATOM 0 H LEU A 54 -3.474 0.633 10.129 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.670 3.286 9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.780 1.389 11.330 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.692 2.642 10.766 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.468 3.196 11.843 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.338 3.896 13.916 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.092 2.166 13.582 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.786 3.330 13.256 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.618 5.499 12.064 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.077 4.995 11.330 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.577 4.939 10.375 1.00 0.00 H new ATOM 862 N LEU A 55 -1.328 2.332 7.287 1.00 0.00 N ATOM 863 CA LEU A 55 -0.391 1.920 6.247 1.00 0.00 C ATOM 864 C LEU A 55 0.857 2.796 6.260 1.00 0.00 C ATOM 865 O LEU A 55 0.772 4.012 6.429 1.00 0.00 O ATOM 866 CB LEU A 55 -1.062 1.986 4.874 1.00 0.00 C ATOM 867 CG LEU A 55 -1.675 0.683 4.362 1.00 0.00 C ATOM 868 CD1 LEU A 55 -2.697 0.149 5.354 1.00 0.00 C ATOM 869 CD2 LEU A 55 -2.314 0.893 2.997 1.00 0.00 C ATOM 0 H LEU A 55 -1.961 3.083 7.011 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.091 0.892 6.449 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.846 2.743 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.324 2.327 4.148 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.879 -0.054 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.123 -0.779 4.973 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.211 -0.041 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.491 0.884 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.745 -0.046 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.098 1.646 3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.557 1.229 2.289 1.00 0.00 H new ATOM 881 N SER A 56 2.015 2.170 6.077 1.00 0.00 N ATOM 882 CA SER A 56 3.282 2.892 6.069 1.00 0.00 C ATOM 883 C SER A 56 4.242 2.294 5.045 1.00 0.00 C ATOM 884 O SER A 56 4.535 1.098 5.076 1.00 0.00 O ATOM 885 CB SER A 56 3.919 2.863 7.459 1.00 0.00 C ATOM 886 OG SER A 56 4.087 1.532 7.916 1.00 0.00 O ATOM 0 H SER A 56 2.102 1.164 5.932 1.00 0.00 H new ATOM 0 HA SER A 56 3.080 3.926 5.791 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.886 3.365 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.294 3.415 8.160 1.00 0.00 H new ATOM 0 HG SER A 56 4.497 1.541 8.806 1.00 0.00 H new ATOM 892 N TYR A 57 4.728 3.134 4.138 1.00 0.00 N ATOM 893 CA TYR A 57 5.652 2.689 3.102 1.00 0.00 C ATOM 894 C TYR A 57 7.079 3.127 3.421 1.00 0.00 C ATOM 895 O TYR A 57 7.297 4.185 4.009 1.00 0.00 O ATOM 896 CB TYR A 57 5.230 3.241 1.740 1.00 0.00 C ATOM 897 CG TYR A 57 5.847 4.582 1.412 1.00 0.00 C ATOM 898 CD1 TYR A 57 5.354 5.752 1.977 1.00 0.00 C ATOM 899 CD2 TYR A 57 6.922 4.679 0.538 1.00 0.00 C ATOM 900 CE1 TYR A 57 5.915 6.980 1.680 1.00 0.00 C ATOM 901 CE2 TYR A 57 7.490 5.902 0.236 1.00 0.00 C ATOM 902 CZ TYR A 57 6.982 7.049 0.810 1.00 0.00 C ATOM 903 OH TYR A 57 7.544 8.270 0.511 1.00 0.00 O ATOM 0 H TYR A 57 4.497 4.127 4.099 1.00 0.00 H new ATOM 0 HA TYR A 57 5.623 1.600 3.069 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.506 2.525 0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.144 3.334 1.716 1.00 0.00 H new ATOM 0 HD1 TYR A 57 4.519 5.701 2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 57 7.321 3.783 0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.520 7.880 2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.326 5.960 -0.445 1.00 0.00 H new ATOM 0 HH TYR A 57 6.875 8.840 0.077 1.00 0.00 H new ATOM 913 N GLU A 58 8.046 2.303 3.027 1.00 0.00 N ATOM 914 CA GLU A 58 9.451 2.605 3.271 1.00 0.00 C ATOM 915 C GLU A 58 10.209 2.766 1.956 1.00 0.00 C ATOM 916 O GLU A 58 10.195 1.876 1.106 1.00 0.00 O ATOM 917 CB GLU A 58 10.095 1.500 4.111 1.00 0.00 C ATOM 918 CG GLU A 58 11.384 1.927 4.792 1.00 0.00 C ATOM 919 CD GLU A 58 12.350 0.774 4.987 1.00 0.00 C ATOM 920 OE1 GLU A 58 12.990 0.363 3.997 1.00 0.00 O ATOM 921 OE2 GLU A 58 12.465 0.282 6.129 1.00 0.00 O ATOM 0 H GLU A 58 7.882 1.423 2.538 1.00 0.00 H new ATOM 0 HA GLU A 58 9.504 3.546 3.819 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.385 1.171 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.299 0.641 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.865 2.703 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.150 2.368 5.761 1.00 0.00 H new ATOM 928 N SER A 59 10.870 3.908 1.796 1.00 0.00 N ATOM 929 CA SER A 59 11.630 4.188 0.584 1.00 0.00 C ATOM 930 C SER A 59 12.962 3.444 0.593 1.00 0.00 C ATOM 931 O SER A 59 13.492 3.111 1.653 1.00 0.00 O ATOM 932 CB SER A 59 11.874 5.692 0.446 1.00 0.00 C ATOM 933 OG SER A 59 12.037 6.060 -0.913 1.00 0.00 O ATOM 0 H SER A 59 10.894 4.654 2.491 1.00 0.00 H new ATOM 0 HA SER A 59 11.046 3.842 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.036 6.240 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.763 5.973 1.011 1.00 0.00 H new ATOM 0 HG SER A 59 11.406 6.776 -1.136 1.00 0.00 H new ATOM 939 N SER A 60 13.497 3.186 -0.596 1.00 0.00 N ATOM 940 CA SER A 60 14.765 2.478 -0.726 1.00 0.00 C ATOM 941 C SER A 60 15.939 3.410 -0.444 1.00 0.00 C ATOM 942 O SER A 60 17.022 2.966 -0.063 1.00 0.00 O ATOM 943 CB SER A 60 14.898 1.881 -2.128 1.00 0.00 C ATOM 944 OG SER A 60 16.151 1.241 -2.293 1.00 0.00 O ATOM 0 H SER A 60 13.072 3.457 -1.483 1.00 0.00 H new ATOM 0 HA SER A 60 14.780 1.672 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.095 1.164 -2.299 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.787 2.668 -2.874 1.00 0.00 H new ATOM 0 HG SER A 60 16.211 0.866 -3.197 1.00 0.00 H new ATOM 950 N LYS A 61 15.717 4.706 -0.635 1.00 0.00 N ATOM 951 CA LYS A 61 16.754 5.704 -0.401 1.00 0.00 C ATOM 952 C LYS A 61 16.987 5.906 1.093 1.00 0.00 C ATOM 953 O LYS A 61 18.127 6.011 1.544 1.00 0.00 O ATOM 954 CB LYS A 61 16.368 7.034 -1.052 1.00 0.00 C ATOM 955 CG LYS A 61 15.240 7.757 -0.336 1.00 0.00 C ATOM 956 CD LYS A 61 15.007 9.141 -0.919 1.00 0.00 C ATOM 957 CE LYS A 61 14.410 9.065 -2.315 1.00 0.00 C ATOM 958 NZ LYS A 61 13.031 8.502 -2.299 1.00 0.00 N ATOM 0 H LYS A 61 14.827 5.090 -0.952 1.00 0.00 H new ATOM 0 HA LYS A 61 17.679 5.342 -0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 61 17.244 7.683 -1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 61 16.073 6.851 -2.085 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.324 7.170 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.477 7.843 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.339 9.704 -0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.951 9.685 -0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.390 10.062 -2.756 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.047 8.448 -2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.640 8.514 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.060 7.523 -1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.429 9.075 -1.674 1.00 0.00 H new ATOM 972 N MET A 62 15.900 5.958 1.855 1.00 0.00 N ATOM 973 CA MET A 62 15.987 6.145 3.299 1.00 0.00 C ATOM 974 C MET A 62 15.531 4.892 4.038 1.00 0.00 C ATOM 975 O MET A 62 14.386 4.782 4.476 1.00 0.00 O ATOM 976 CB MET A 62 15.140 7.343 3.732 1.00 0.00 C ATOM 977 CG MET A 62 13.644 7.107 3.606 1.00 0.00 C ATOM 978 SD MET A 62 12.727 8.622 3.268 1.00 0.00 S ATOM 979 CE MET A 62 11.093 7.964 2.944 1.00 0.00 C ATOM 0 H MET A 62 14.949 5.873 1.497 1.00 0.00 H new ATOM 0 HA MET A 62 17.030 6.336 3.553 1.00 0.00 H new ATOM 0 HB2 MET A 62 15.375 7.588 4.768 1.00 0.00 H new ATOM 0 HB3 MET A 62 15.415 8.209 3.129 1.00 0.00 H new ATOM 0 HG2 MET A 62 13.460 6.389 2.807 1.00 0.00 H new ATOM 0 HG3 MET A 62 13.272 6.660 4.528 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.879 8.030 1.877 1.00 0.00 H new ATOM 0 HE2 MET A 62 11.052 6.921 3.259 1.00 0.00 H new ATOM 0 HE3 MET A 62 10.352 8.540 3.498 1.00 0.00 H new ATOM 989 N PRO A 63 16.446 3.922 4.181 1.00 0.00 N ATOM 990 CA PRO A 63 16.160 2.658 4.868 1.00 0.00 C ATOM 991 C PRO A 63 15.979 2.843 6.370 1.00 0.00 C ATOM 992 O PRO A 63 16.592 3.720 6.976 1.00 0.00 O ATOM 993 CB PRO A 63 17.401 1.809 4.580 1.00 0.00 C ATOM 994 CG PRO A 63 18.488 2.798 4.335 1.00 0.00 C ATOM 995 CD PRO A 63 17.831 3.984 3.684 1.00 0.00 C ATOM 0 HA PRO A 63 15.229 2.208 4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 63 17.640 1.159 5.422 1.00 0.00 H new ATOM 0 HB3 PRO A 63 17.248 1.166 3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 63 18.973 3.084 5.268 1.00 0.00 H new ATOM 0 HG3 PRO A 63 19.260 2.377 3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 63 18.318 4.918 3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 63 17.871 3.919 2.597 1.00 0.00 H new ATOM 1003 N GLY A 64 15.131 2.010 6.966 1.00 0.00 N ATOM 1004 CA GLY A 64 14.884 2.098 8.393 1.00 0.00 C ATOM 1005 C GLY A 64 13.976 3.257 8.754 1.00 0.00 C ATOM 1006 O GLY A 64 14.040 3.782 9.866 1.00 0.00 O ATOM 0 H GLY A 64 14.611 1.276 6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.435 1.167 8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.834 2.208 8.917 1.00 0.00 H new ATOM 1010 N ARG A 65 13.129 3.659 7.812 1.00 0.00 N ATOM 1011 CA ARG A 65 12.207 4.766 8.035 1.00 0.00 C ATOM 1012 C ARG A 65 10.941 4.596 7.199 1.00 0.00 C ATOM 1013 O ARG A 65 11.001 4.533 5.972 1.00 0.00 O ATOM 1014 CB ARG A 65 12.881 6.096 7.695 1.00 0.00 C ATOM 1015 CG ARG A 65 12.068 7.313 8.107 1.00 0.00 C ATOM 1016 CD ARG A 65 12.694 8.600 7.594 1.00 0.00 C ATOM 1017 NE ARG A 65 12.380 9.741 8.449 1.00 0.00 N ATOM 1018 CZ ARG A 65 12.776 9.843 9.713 1.00 0.00 C ATOM 1019 NH1 ARG A 65 13.498 8.878 10.265 1.00 0.00 N ATOM 1020 NH2 ARG A 65 12.450 10.913 10.428 1.00 0.00 N ATOM 0 H ARG A 65 13.062 3.234 6.887 1.00 0.00 H new ATOM 0 HA ARG A 65 11.929 4.767 9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.854 6.136 8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.063 6.138 6.621 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.053 7.222 7.721 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.993 7.351 9.194 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.776 8.478 7.535 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.340 8.797 6.582 1.00 0.00 H new ATOM 0 HE ARG A 65 11.826 10.501 8.054 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.751 8.054 9.719 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.801 8.959 11.236 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.895 11.658 10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.755 10.990 11.398 1.00 0.00 H new ATOM 1034 N GLU A 66 9.798 4.521 7.873 1.00 0.00 N ATOM 1035 CA GLU A 66 8.519 4.357 7.192 1.00 0.00 C ATOM 1036 C GLU A 66 7.684 5.631 7.289 1.00 0.00 C ATOM 1037 O GLU A 66 7.802 6.391 8.250 1.00 0.00 O ATOM 1038 CB GLU A 66 7.746 3.180 7.789 1.00 0.00 C ATOM 1039 CG GLU A 66 7.122 3.484 9.141 1.00 0.00 C ATOM 1040 CD GLU A 66 8.131 3.438 10.272 1.00 0.00 C ATOM 1041 OE1 GLU A 66 8.703 2.354 10.512 1.00 0.00 O ATOM 1042 OE2 GLU A 66 8.347 4.485 10.917 1.00 0.00 O ATOM 0 H GLU A 66 9.731 4.571 8.890 1.00 0.00 H new ATOM 0 HA GLU A 66 8.719 4.154 6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.960 2.883 7.094 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.419 2.329 7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.661 4.471 9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.326 2.766 9.339 1.00 0.00 H new ATOM 1049 N ILE A 67 6.841 5.856 6.287 1.00 0.00 N ATOM 1050 CA ILE A 67 5.986 7.036 6.259 1.00 0.00 C ATOM 1051 C ILE A 67 4.521 6.658 6.452 1.00 0.00 C ATOM 1052 O ILE A 67 3.895 6.088 5.559 1.00 0.00 O ATOM 1053 CB ILE A 67 6.135 7.808 4.935 1.00 0.00 C ATOM 1054 CG1 ILE A 67 7.563 8.339 4.787 1.00 0.00 C ATOM 1055 CG2 ILE A 67 5.131 8.949 4.871 1.00 0.00 C ATOM 1056 CD1 ILE A 67 8.552 7.291 4.327 1.00 0.00 C ATOM 0 H ILE A 67 6.732 5.237 5.484 1.00 0.00 H new ATOM 0 HA ILE A 67 6.305 7.676 7.081 1.00 0.00 H new ATOM 0 HB ILE A 67 5.933 7.126 4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.563 9.165 4.075 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.893 8.743 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.249 9.485 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.120 8.548 4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.304 9.633 5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.543 7.737 4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.581 6.476 5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 67 8.246 6.904 3.355 1.00 0.00 H new ATOM 1068 N GLU A 68 3.982 6.981 7.623 1.00 0.00 N ATOM 1069 CA GLU A 68 2.590 6.676 7.932 1.00 0.00 C ATOM 1070 C GLU A 68 1.646 7.514 7.075 1.00 0.00 C ATOM 1071 O GLU A 68 1.605 8.740 7.192 1.00 0.00 O ATOM 1072 CB GLU A 68 2.307 6.925 9.415 1.00 0.00 C ATOM 1073 CG GLU A 68 2.696 8.318 9.883 1.00 0.00 C ATOM 1074 CD GLU A 68 2.440 8.528 11.363 1.00 0.00 C ATOM 1075 OE1 GLU A 68 1.390 8.066 11.856 1.00 0.00 O ATOM 1076 OE2 GLU A 68 3.290 9.157 12.028 1.00 0.00 O ATOM 0 H GLU A 68 4.487 7.453 8.373 1.00 0.00 H new ATOM 0 HA GLU A 68 2.417 5.623 7.708 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.245 6.770 9.605 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.847 6.187 10.008 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.752 8.486 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.136 9.059 9.312 1.00 0.00 H new ATOM 1083 N LEU A 69 0.888 6.845 6.213 1.00 0.00 N ATOM 1084 CA LEU A 69 -0.056 7.527 5.334 1.00 0.00 C ATOM 1085 C LEU A 69 -1.363 7.822 6.064 1.00 0.00 C ATOM 1086 O LEU A 69 -2.103 6.907 6.423 1.00 0.00 O ATOM 1087 CB LEU A 69 -0.332 6.678 4.092 1.00 0.00 C ATOM 1088 CG LEU A 69 0.876 5.963 3.486 1.00 0.00 C ATOM 1089 CD1 LEU A 69 0.439 4.704 2.754 1.00 0.00 C ATOM 1090 CD2 LEU A 69 1.631 6.893 2.547 1.00 0.00 C ATOM 0 H LEU A 69 0.909 5.831 6.104 1.00 0.00 H new ATOM 0 HA LEU A 69 0.389 8.473 5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.082 5.929 4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.770 7.320 3.328 1.00 0.00 H new ATOM 0 HG LEU A 69 1.546 5.674 4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.312 4.208 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.056 4.030 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.252 4.970 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.487 6.367 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.969 7.213 1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.978 7.766 3.100 1.00 0.00 H new ATOM 1102 N GLU A 70 -1.640 9.105 6.276 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.859 9.519 6.961 1.00 0.00 C ATOM 1104 C GLU A 70 -3.808 10.230 6.001 1.00 0.00 C ATOM 1105 O GLU A 70 -4.961 10.497 6.335 1.00 0.00 O ATOM 1106 CB GLU A 70 -2.522 10.439 8.137 1.00 0.00 C ATOM 1107 CG GLU A 70 -1.616 11.600 7.761 1.00 0.00 C ATOM 1108 CD GLU A 70 -1.480 12.618 8.877 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -2.469 13.327 9.156 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -0.384 12.705 9.470 1.00 0.00 O ATOM 0 H GLU A 70 -1.038 9.874 5.984 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.355 8.625 7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.448 10.833 8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.041 9.853 8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.629 11.217 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.011 12.091 6.872 1.00 0.00 H new ATOM 1117 N ASN A 71 -3.313 10.533 4.805 1.00 0.00 N ATOM 1118 CA ASN A 71 -4.116 11.214 3.796 1.00 0.00 C ATOM 1119 C ASN A 71 -4.875 10.209 2.936 1.00 0.00 C ATOM 1120 O ASN A 71 -4.273 9.380 2.254 1.00 0.00 O ATOM 1121 CB ASN A 71 -3.225 12.089 2.911 1.00 0.00 C ATOM 1122 CG ASN A 71 -2.990 13.464 3.507 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -2.168 13.629 4.408 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -3.714 14.458 3.005 1.00 0.00 N ATOM 0 H ASN A 71 -2.360 10.318 4.511 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.840 11.846 4.310 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.266 11.592 2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.686 12.196 1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.600 15.405 3.366 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.384 14.274 2.258 1.00 0.00 H new ATOM 1131 N ASP A 72 -6.201 10.289 2.974 1.00 0.00 N ATOM 1132 CA ASP A 72 -7.044 9.387 2.197 1.00 0.00 C ATOM 1133 C ASP A 72 -7.439 10.023 0.868 1.00 0.00 C ATOM 1134 O ASP A 72 -7.794 9.327 -0.085 1.00 0.00 O ATOM 1135 CB ASP A 72 -8.297 9.015 2.991 1.00 0.00 C ATOM 1136 CG ASP A 72 -8.742 10.125 3.922 1.00 0.00 C ATOM 1137 OD1 ASP A 72 -8.882 11.273 3.453 1.00 0.00 O ATOM 1138 OD2 ASP A 72 -8.951 9.845 5.122 1.00 0.00 O ATOM 0 H ASP A 72 -6.715 10.969 3.534 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.472 8.482 1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.105 8.779 2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -8.101 8.114 3.572 1.00 0.00 H new ATOM 1143 N LEU A 73 -7.376 11.349 0.810 1.00 0.00 N ATOM 1144 CA LEU A 73 -7.728 12.080 -0.403 1.00 0.00 C ATOM 1145 C LEU A 73 -6.483 12.410 -1.220 1.00 0.00 C ATOM 1146 O LEU A 73 -6.438 13.425 -1.915 1.00 0.00 O ATOM 1147 CB LEU A 73 -8.475 13.366 -0.047 1.00 0.00 C ATOM 1148 CG LEU A 73 -9.903 13.191 0.473 1.00 0.00 C ATOM 1149 CD1 LEU A 73 -10.546 14.545 0.731 1.00 0.00 C ATOM 1150 CD2 LEU A 73 -10.734 12.382 -0.512 1.00 0.00 C ATOM 0 H LEU A 73 -7.085 11.940 1.589 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.377 11.445 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.898 13.901 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.507 14.001 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.862 12.646 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -11.561 14.401 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.963 15.089 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.575 15.117 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.747 12.268 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.768 12.900 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.284 11.399 -0.646 1.00 0.00 H new ATOM 1162 N GLN A 74 -5.477 11.546 -1.132 1.00 0.00 N ATOM 1163 CA GLN A 74 -4.233 11.747 -1.865 1.00 0.00 C ATOM 1164 C GLN A 74 -3.753 10.441 -2.491 1.00 0.00 C ATOM 1165 O GLN A 74 -3.767 9.382 -1.863 1.00 0.00 O ATOM 1166 CB GLN A 74 -3.154 12.308 -0.937 1.00 0.00 C ATOM 1167 CG GLN A 74 -3.470 13.698 -0.409 1.00 0.00 C ATOM 1168 CD GLN A 74 -3.397 14.762 -1.486 1.00 0.00 C ATOM 1169 OE1 GLN A 74 -4.516 15.433 -1.733 1.00 0.00 O flip ATOM 1170 NE2 GLN A 74 -2.346 14.980 -2.090 1.00 0.00 N flip ATOM 0 H GLN A 74 -5.499 10.701 -0.561 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.423 12.464 -2.664 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.022 11.629 -0.094 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.205 12.339 -1.473 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.468 13.698 0.029 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.771 13.947 0.390 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.509 14.441 -1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.313 15.700 -2.812 1.00 0.00 H new ATOM 1179 N PRO A 75 -3.318 10.516 -3.757 1.00 0.00 N ATOM 1180 CA PRO A 75 -2.825 9.348 -4.495 1.00 0.00 C ATOM 1181 C PRO A 75 -1.487 8.848 -3.962 1.00 0.00 C ATOM 1182 O PRO A 75 -0.853 9.503 -3.134 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.668 9.873 -5.925 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.466 11.341 -5.769 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.273 11.745 -4.566 1.00 0.00 C ATOM 0 HA PRO A 75 -3.501 8.497 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.820 9.408 -6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.551 9.656 -6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.411 11.577 -5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.797 11.877 -6.659 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.803 12.566 -4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.272 12.079 -4.846 1.00 0.00 H new ATOM 1193 N LEU A 76 -1.064 7.683 -4.440 1.00 0.00 N ATOM 1194 CA LEU A 76 0.200 7.094 -4.011 1.00 0.00 C ATOM 1195 C LEU A 76 1.382 7.922 -4.506 1.00 0.00 C ATOM 1196 O LEU A 76 2.407 8.020 -3.832 1.00 0.00 O ATOM 1197 CB LEU A 76 0.317 5.658 -4.527 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.582 4.626 -3.846 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -0.173 4.436 -2.394 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -2.042 5.045 -3.941 1.00 0.00 C ATOM 0 H LEU A 76 -1.577 7.128 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 76 0.217 7.085 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.094 5.657 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.353 5.337 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.464 3.673 -4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.824 3.698 -1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.859 4.089 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.260 5.385 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.667 4.299 -3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.176 6.009 -3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.329 5.127 -4.989 1.00 0.00 H new ATOM 1212 N GLN A 77 1.230 8.516 -5.685 1.00 0.00 N ATOM 1213 CA GLN A 77 2.284 9.337 -6.268 1.00 0.00 C ATOM 1214 C GLN A 77 2.621 10.516 -5.361 1.00 0.00 C ATOM 1215 O GLN A 77 3.771 10.950 -5.291 1.00 0.00 O ATOM 1216 CB GLN A 77 1.861 9.844 -7.648 1.00 0.00 C ATOM 1217 CG GLN A 77 0.943 11.054 -7.596 1.00 0.00 C ATOM 1218 CD GLN A 77 0.684 11.650 -8.966 1.00 0.00 C ATOM 1219 OE1 GLN A 77 1.617 12.005 -9.687 1.00 0.00 O ATOM 1220 NE2 GLN A 77 -0.587 11.762 -9.332 1.00 0.00 N ATOM 0 H GLN A 77 0.387 8.444 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 77 3.175 8.718 -6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.752 10.099 -8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.357 9.039 -8.183 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.006 10.766 -7.144 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.385 11.813 -6.951 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.328 11.455 -8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.823 12.155 -10.243 1.00 0.00 H new ATOM 1229 N PHE A 78 1.610 11.030 -4.668 1.00 0.00 N ATOM 1230 CA PHE A 78 1.799 12.161 -3.767 1.00 0.00 C ATOM 1231 C PHE A 78 2.846 11.840 -2.704 1.00 0.00 C ATOM 1232 O PHE A 78 3.556 12.726 -2.229 1.00 0.00 O ATOM 1233 CB PHE A 78 0.474 12.533 -3.098 1.00 0.00 C ATOM 1234 CG PHE A 78 0.607 13.616 -2.065 1.00 0.00 C ATOM 1235 CD1 PHE A 78 0.932 14.910 -2.437 1.00 0.00 C ATOM 1236 CD2 PHE A 78 0.407 13.339 -0.722 1.00 0.00 C ATOM 1237 CE1 PHE A 78 1.057 15.908 -1.488 1.00 0.00 C ATOM 1238 CE2 PHE A 78 0.530 14.332 0.231 1.00 0.00 C ATOM 1239 CZ PHE A 78 0.854 15.618 -0.153 1.00 0.00 C ATOM 0 H PHE A 78 0.652 10.682 -4.713 1.00 0.00 H new ATOM 0 HA PHE A 78 2.152 13.008 -4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.232 12.856 -3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.051 11.645 -2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.090 15.142 -3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.152 12.335 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.313 16.913 -1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.373 14.103 1.275 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.949 16.396 0.590 1.00 0.00 H new ATOM 1249 N TYR A 79 2.934 10.567 -2.335 1.00 0.00 N ATOM 1250 CA TYR A 79 3.891 10.128 -1.326 1.00 0.00 C ATOM 1251 C TYR A 79 5.192 9.665 -1.974 1.00 0.00 C ATOM 1252 O TYR A 79 5.950 8.892 -1.388 1.00 0.00 O ATOM 1253 CB TYR A 79 3.296 8.997 -0.486 1.00 0.00 C ATOM 1254 CG TYR A 79 2.336 9.474 0.580 1.00 0.00 C ATOM 1255 CD1 TYR A 79 0.979 9.609 0.311 1.00 0.00 C ATOM 1256 CD2 TYR A 79 2.785 9.791 1.856 1.00 0.00 C ATOM 1257 CE1 TYR A 79 0.098 10.046 1.282 1.00 0.00 C ATOM 1258 CE2 TYR A 79 1.911 10.227 2.833 1.00 0.00 C ATOM 1259 CZ TYR A 79 0.569 10.353 2.541 1.00 0.00 C ATOM 1260 OH TYR A 79 -0.304 10.789 3.511 1.00 0.00 O ATOM 0 H TYR A 79 2.354 9.821 -2.719 1.00 0.00 H new ATOM 0 HA TYR A 79 4.111 10.976 -0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.777 8.301 -1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.106 8.443 -0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.607 9.368 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.835 9.695 2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.953 10.146 1.056 1.00 0.00 H new ATOM 0 HE2 TYR A 79 2.277 10.468 3.820 1.00 0.00 H new ATOM 0 HH TYR A 79 0.188 10.961 4.341 1.00 0.00 H new ATOM 1270 N SER A 80 5.444 10.145 -3.188 1.00 0.00 N ATOM 1271 CA SER A 80 6.651 9.779 -3.919 1.00 0.00 C ATOM 1272 C SER A 80 6.815 8.263 -3.973 1.00 0.00 C ATOM 1273 O SER A 80 7.927 7.751 -4.110 1.00 0.00 O ATOM 1274 CB SER A 80 7.881 10.413 -3.266 1.00 0.00 C ATOM 1275 OG SER A 80 7.766 11.825 -3.228 1.00 0.00 O ATOM 0 H SER A 80 4.828 10.788 -3.686 1.00 0.00 H new ATOM 0 HA SER A 80 6.556 10.154 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.999 10.027 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.777 10.132 -3.820 1.00 0.00 H new ATOM 0 HG SER A 80 8.563 12.207 -2.805 1.00 0.00 H new ATOM 1281 N VAL A 81 5.699 7.549 -3.863 1.00 0.00 N ATOM 1282 CA VAL A 81 5.717 6.091 -3.900 1.00 0.00 C ATOM 1283 C VAL A 81 5.904 5.580 -5.324 1.00 0.00 C ATOM 1284 O VAL A 81 5.068 5.821 -6.195 1.00 0.00 O ATOM 1285 CB VAL A 81 4.420 5.499 -3.319 1.00 0.00 C ATOM 1286 CG1 VAL A 81 4.429 3.982 -3.429 1.00 0.00 C ATOM 1287 CG2 VAL A 81 4.235 5.936 -1.874 1.00 0.00 C ATOM 0 H VAL A 81 4.771 7.956 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 81 6.560 5.769 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 81 3.578 5.876 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.504 3.582 -3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.510 3.694 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.279 3.582 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.313 5.508 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.080 5.590 -1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.179 7.024 -1.827 1.00 0.00 H new ATOM 1297 N GLU A 82 7.005 4.872 -5.554 1.00 0.00 N ATOM 1298 CA GLU A 82 7.301 4.327 -6.873 1.00 0.00 C ATOM 1299 C GLU A 82 7.496 2.815 -6.806 1.00 0.00 C ATOM 1300 O GLU A 82 7.698 2.252 -5.731 1.00 0.00 O ATOM 1301 CB GLU A 82 8.553 4.988 -7.454 1.00 0.00 C ATOM 1302 CG GLU A 82 9.834 4.606 -6.732 1.00 0.00 C ATOM 1303 CD GLU A 82 10.965 5.580 -6.996 1.00 0.00 C ATOM 1304 OE1 GLU A 82 11.413 5.667 -8.159 1.00 0.00 O ATOM 1305 OE2 GLU A 82 11.403 6.255 -6.041 1.00 0.00 O ATOM 0 H GLU A 82 7.707 4.663 -4.844 1.00 0.00 H new ATOM 0 HA GLU A 82 6.452 4.538 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.643 4.715 -8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.433 6.071 -7.415 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.642 4.560 -5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.139 3.607 -7.045 1.00 0.00 H new ATOM 1312 N ASN A 83 7.432 2.164 -7.963 1.00 0.00 N ATOM 1313 CA ASN A 83 7.600 0.717 -8.036 1.00 0.00 C ATOM 1314 C ASN A 83 8.913 0.288 -7.388 1.00 0.00 C ATOM 1315 O ASN A 83 9.978 0.813 -7.712 1.00 0.00 O ATOM 1316 CB ASN A 83 7.562 0.251 -9.493 1.00 0.00 C ATOM 1317 CG ASN A 83 8.085 -1.162 -9.662 1.00 0.00 C ATOM 1318 OD1 ASN A 83 8.380 -1.848 -8.683 1.00 0.00 O ATOM 1319 ND2 ASN A 83 8.202 -1.605 -10.909 1.00 0.00 N ATOM 0 H ASN A 83 7.265 2.615 -8.862 1.00 0.00 H new ATOM 0 HA ASN A 83 6.778 0.253 -7.491 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.537 0.303 -9.861 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.155 0.931 -10.105 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.548 -2.548 -11.085 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.946 -1.002 -11.691 1.00 0.00 H new ATOM 1326 N GLY A 84 8.828 -0.670 -6.470 1.00 0.00 N ATOM 1327 CA GLY A 84 10.016 -1.154 -5.791 1.00 0.00 C ATOM 1328 C GLY A 84 9.940 -0.969 -4.288 1.00 0.00 C ATOM 1329 O GLY A 84 10.365 -1.838 -3.527 1.00 0.00 O ATOM 0 H GLY A 84 7.958 -1.119 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.155 -2.211 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.890 -0.628 -6.175 1.00 0.00 H new ATOM 1333 N ASP A 85 9.399 0.166 -3.860 1.00 0.00 N ATOM 1334 CA ASP A 85 9.270 0.463 -2.438 1.00 0.00 C ATOM 1335 C ASP A 85 8.589 -0.687 -1.702 1.00 0.00 C ATOM 1336 O ASP A 85 8.267 -1.715 -2.300 1.00 0.00 O ATOM 1337 CB ASP A 85 8.477 1.755 -2.234 1.00 0.00 C ATOM 1338 CG ASP A 85 9.321 2.994 -2.462 1.00 0.00 C ATOM 1339 OD1 ASP A 85 10.275 2.923 -3.266 1.00 0.00 O ATOM 1340 OD2 ASP A 85 9.026 4.034 -1.838 1.00 0.00 O ATOM 0 H ASP A 85 9.043 0.896 -4.477 1.00 0.00 H new ATOM 0 HA ASP A 85 10.271 0.592 -2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.627 1.768 -2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.074 1.775 -1.221 1.00 0.00 H new ATOM 1345 N CYS A 86 8.374 -0.508 -0.404 1.00 0.00 N ATOM 1346 CA CYS A 86 7.733 -1.532 0.414 1.00 0.00 C ATOM 1347 C CYS A 86 6.466 -0.991 1.068 1.00 0.00 C ATOM 1348 O CYS A 86 6.363 0.203 1.353 1.00 0.00 O ATOM 1349 CB CYS A 86 8.700 -2.037 1.486 1.00 0.00 C ATOM 1350 SG CYS A 86 10.023 -3.091 0.849 1.00 0.00 S ATOM 0 H CYS A 86 8.634 0.337 0.105 1.00 0.00 H new ATOM 0 HA CYS A 86 7.458 -2.362 -0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 86 9.145 -1.180 1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.137 -2.593 2.236 1.00 0.00 H new ATOM 0 HG CYS A 86 10.790 -3.466 1.830 1.00 0.00 H new ATOM 1356 N LEU A 87 5.504 -1.876 1.302 1.00 0.00 N ATOM 1357 CA LEU A 87 4.241 -1.487 1.922 1.00 0.00 C ATOM 1358 C LEU A 87 4.039 -2.214 3.248 1.00 0.00 C ATOM 1359 O LEU A 87 3.887 -3.435 3.281 1.00 0.00 O ATOM 1360 CB LEU A 87 3.074 -1.787 0.979 1.00 0.00 C ATOM 1361 CG LEU A 87 2.991 -0.925 -0.281 1.00 0.00 C ATOM 1362 CD1 LEU A 87 1.874 -1.415 -1.189 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.781 0.537 0.085 1.00 0.00 C ATOM 0 H LEU A 87 5.573 -2.867 1.072 1.00 0.00 H new ATOM 0 HA LEU A 87 4.275 -0.415 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.137 -2.832 0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.144 -1.672 1.536 1.00 0.00 H new ATOM 0 HG LEU A 87 3.934 -1.011 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.829 -0.790 -2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.067 -2.448 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.923 -1.359 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.724 1.135 -0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.853 0.642 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.615 0.883 0.695 1.00 0.00 H new ATOM 1375 N LEU A 88 4.036 -1.454 4.338 1.00 0.00 N ATOM 1376 CA LEU A 88 3.850 -2.025 5.667 1.00 0.00 C ATOM 1377 C LEU A 88 2.436 -1.769 6.177 1.00 0.00 C ATOM 1378 O LEU A 88 2.073 -0.634 6.489 1.00 0.00 O ATOM 1379 CB LEU A 88 4.871 -1.438 6.644 1.00 0.00 C ATOM 1380 CG LEU A 88 6.323 -1.416 6.164 1.00 0.00 C ATOM 1381 CD1 LEU A 88 7.098 -0.310 6.863 1.00 0.00 C ATOM 1382 CD2 LEU A 88 6.984 -2.765 6.402 1.00 0.00 C ATOM 0 H LEU A 88 4.160 -0.442 4.327 1.00 0.00 H new ATOM 0 HA LEU A 88 4.001 -3.102 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.572 -0.417 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.825 -2.007 7.572 1.00 0.00 H new ATOM 0 HG LEU A 88 6.329 -1.216 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.129 -0.309 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.637 0.653 6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.084 -0.480 7.940 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.017 -2.731 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.967 -2.996 7.467 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.443 -3.537 5.855 1.00 0.00 H new ATOM 1394 N VAL A 89 1.641 -2.831 6.261 1.00 0.00 N ATOM 1395 CA VAL A 89 0.267 -2.721 6.736 1.00 0.00 C ATOM 1396 C VAL A 89 0.173 -3.040 8.224 1.00 0.00 C ATOM 1397 O VAL A 89 0.706 -4.048 8.688 1.00 0.00 O ATOM 1398 CB VAL A 89 -0.672 -3.664 5.960 1.00 0.00 C ATOM 1399 CG1 VAL A 89 -2.112 -3.474 6.411 1.00 0.00 C ATOM 1400 CG2 VAL A 89 -0.539 -3.434 4.462 1.00 0.00 C ATOM 0 H VAL A 89 1.925 -3.777 6.006 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.045 -1.690 6.568 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.383 -4.693 6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.760 -4.148 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.192 -3.694 7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.417 -2.444 6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.209 -4.109 3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -0.801 -2.402 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.489 -3.626 4.154 1.00 0.00 H new ATOM 1410 N ARG A 90 -0.509 -2.174 8.967 1.00 0.00 N ATOM 1411 CA ARG A 90 -0.672 -2.362 10.403 1.00 0.00 C ATOM 1412 C ARG A 90 -1.895 -1.607 10.915 1.00 0.00 C ATOM 1413 O ARG A 90 -2.242 -0.545 10.398 1.00 0.00 O ATOM 1414 CB ARG A 90 0.579 -1.891 11.147 1.00 0.00 C ATOM 1415 CG ARG A 90 0.538 -2.163 12.642 1.00 0.00 C ATOM 1416 CD ARG A 90 1.674 -1.459 13.367 1.00 0.00 C ATOM 1417 NE ARG A 90 1.631 -1.693 14.808 1.00 0.00 N ATOM 1418 CZ ARG A 90 2.364 -1.015 15.685 1.00 0.00 C ATOM 1419 NH1 ARG A 90 3.192 -0.067 15.269 1.00 0.00 N ATOM 1420 NH2 ARG A 90 2.269 -1.286 16.980 1.00 0.00 N ATOM 0 H ARG A 90 -0.957 -1.336 8.598 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.818 -3.426 10.590 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.452 -2.384 10.720 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.707 -0.821 10.984 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.417 -1.829 13.048 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.601 -3.237 12.820 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.628 -1.808 12.971 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.620 -0.388 13.172 1.00 0.00 H new ATOM 0 HE ARG A 90 1.004 -2.416 15.161 1.00 0.00 H new ATOM 0 HH11 ARG A 90 3.268 0.143 14.274 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.754 0.452 15.944 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.633 -2.015 17.303 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.832 -0.765 17.653 1.00 0.00 H new ATOM 1434 N TRP A 91 -2.544 -2.163 11.932 1.00 0.00 N ATOM 1435 CA TRP A 91 -3.729 -1.542 12.513 1.00 0.00 C ATOM 1436 C TRP A 91 -3.777 -1.765 14.020 1.00 0.00 C ATOM 1437 O TRP A 91 -3.098 -2.646 14.548 1.00 0.00 O ATOM 1438 CB TRP A 91 -4.995 -2.102 11.861 1.00 0.00 C ATOM 1439 CG TRP A 91 -5.216 -3.557 12.146 1.00 0.00 C ATOM 1440 CD1 TRP A 91 -5.910 -4.091 13.194 1.00 0.00 C ATOM 1441 CD2 TRP A 91 -4.739 -4.663 11.373 1.00 0.00 C ATOM 1442 NE1 TRP A 91 -5.893 -5.462 13.119 1.00 0.00 N ATOM 1443 CE2 TRP A 91 -5.181 -5.839 12.011 1.00 0.00 C ATOM 1444 CE3 TRP A 91 -3.982 -4.775 10.203 1.00 0.00 C ATOM 1445 CZ2 TRP A 91 -4.891 -7.108 11.517 1.00 0.00 C ATOM 1446 CZ3 TRP A 91 -3.694 -6.036 9.715 1.00 0.00 C ATOM 1447 CH2 TRP A 91 -4.148 -7.188 10.370 1.00 0.00 C ATOM 0 H TRP A 91 -2.270 -3.042 12.371 1.00 0.00 H new ATOM 0 HA TRP A 91 -3.676 -0.470 12.325 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -5.857 -1.535 12.212 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -4.935 -1.955 10.783 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -6.400 -3.519 13.968 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -6.339 -6.097 13.781 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -3.629 -3.893 9.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -5.240 -7.997 12.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -3.109 -6.135 8.813 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.907 -8.159 9.962 1.00 0.00 H new