USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 381 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: B 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Set 2.1: A 5 GLN : amide:sc= -1.24 K(o=-1.7,f=0.4) USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0.423 USER MOD Set 2.3: A 15 GLN : amide:sc= -0.851 K(o=-1.7,f=0.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.601! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.24! C(o=-1.2!,f=-5!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.174 K(o=-0.17,f=-3.1!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -5.3! C(o=-5.3!,f=-6.3!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot -64:sc= 0.728 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= -0.418 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.662 6.219 1.953 1.00 0.00 N ATOM 2 CA GLY A 1 -6.873 6.412 0.491 1.00 0.00 C ATOM 3 C GLY A 1 -5.568 6.135 -0.257 1.00 0.00 C ATOM 4 O GLY A 1 -5.053 6.984 -0.957 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.550 6.408 2.460 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.361 5.240 2.134 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.927 6.874 2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.657 5.743 0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.208 7.430 0.293 1.00 0.00 H new ATOM 10 N ILE A 2 -5.027 4.952 -0.106 1.00 0.00 N ATOM 11 CA ILE A 2 -3.744 4.607 -0.802 1.00 0.00 C ATOM 12 C ILE A 2 -3.709 5.226 -2.207 1.00 0.00 C ATOM 13 O ILE A 2 -2.657 5.536 -2.731 1.00 0.00 O ATOM 14 CB ILE A 2 -3.678 3.055 -0.851 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.962 2.588 -2.133 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.080 2.438 -0.798 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.898 2.695 -3.348 1.00 0.00 C ATOM 0 H ILE A 2 -5.418 4.207 0.470 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.879 5.007 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.117 2.721 0.022 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.071 3.194 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.629 1.557 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.001 1.351 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.574 2.735 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.664 2.788 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.373 2.360 -4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.776 2.069 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.210 3.731 -3.477 1.00 0.00 H new ATOM 29 N VAL A 3 -4.843 5.409 -2.818 1.00 0.00 N ATOM 30 CA VAL A 3 -4.864 6.009 -4.189 1.00 0.00 C ATOM 31 C VAL A 3 -4.236 7.405 -4.169 1.00 0.00 C ATOM 32 O VAL A 3 -3.682 7.860 -5.150 1.00 0.00 O ATOM 33 CB VAL A 3 -6.342 6.096 -4.573 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.862 4.703 -4.930 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.145 6.649 -3.395 1.00 0.00 C ATOM 0 H VAL A 3 -5.757 5.172 -2.433 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.294 5.412 -4.901 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.452 6.757 -5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.915 4.767 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.292 4.306 -5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.750 4.041 -4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.198 6.711 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.032 5.988 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.778 7.643 -3.139 1.00 0.00 H new ATOM 45 N GLU A 4 -4.318 8.090 -3.062 1.00 0.00 N ATOM 46 CA GLU A 4 -3.723 9.457 -2.987 1.00 0.00 C ATOM 47 C GLU A 4 -2.305 9.374 -2.421 1.00 0.00 C ATOM 48 O GLU A 4 -1.622 10.368 -2.283 1.00 0.00 O ATOM 49 CB GLU A 4 -4.631 10.255 -2.040 1.00 0.00 C ATOM 50 CG GLU A 4 -6.083 9.794 -2.192 1.00 0.00 C ATOM 51 CD GLU A 4 -7.017 11.003 -2.133 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.944 11.737 -1.161 1.00 0.00 O ATOM 53 OE2 GLU A 4 -7.791 11.174 -3.062 1.00 0.00 O ATOM 0 H GLU A 4 -4.770 7.765 -2.207 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.658 9.928 -3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.304 10.119 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.554 11.320 -2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.211 9.270 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.335 9.089 -1.400 1.00 0.00 H new ATOM 60 N GLN A 5 -1.860 8.194 -2.087 1.00 0.00 N ATOM 61 CA GLN A 5 -0.488 8.054 -1.525 1.00 0.00 C ATOM 62 C GLN A 5 0.541 7.742 -2.641 1.00 0.00 C ATOM 63 O GLN A 5 1.290 8.612 -3.038 1.00 0.00 O ATOM 64 CB GLN A 5 -0.607 6.944 -0.455 1.00 0.00 C ATOM 65 CG GLN A 5 0.591 5.990 -0.513 1.00 0.00 C ATOM 66 CD GLN A 5 0.945 5.525 0.899 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.400 4.555 1.387 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.843 6.182 1.581 1.00 0.00 N ATOM 0 H GLN A 5 -2.385 7.324 -2.179 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.116 8.973 -1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.669 7.395 0.535 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.529 6.384 -0.609 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.355 5.131 -1.141 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.446 6.491 -0.967 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.300 6.996 1.171 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.088 5.881 2.524 1.00 0.00 H new ATOM 77 N CYS A 6 0.615 6.528 -3.144 1.00 0.00 N ATOM 78 CA CYS A 6 1.634 6.248 -4.207 1.00 0.00 C ATOM 79 C CYS A 6 1.349 7.037 -5.490 1.00 0.00 C ATOM 80 O CYS A 6 2.213 7.204 -6.299 1.00 0.00 O ATOM 81 CB CYS A 6 1.620 4.727 -4.483 1.00 0.00 C ATOM 82 SG CYS A 6 1.370 3.799 -2.959 1.00 0.00 S ATOM 0 H CYS A 6 0.029 5.738 -2.872 1.00 0.00 H new ATOM 0 HA CYS A 6 2.618 6.566 -3.862 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.827 4.489 -5.192 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.561 4.429 -4.945 1.00 0.00 H new ATOM 87 N CYS A 7 0.183 7.545 -5.711 1.00 0.00 N ATOM 88 CA CYS A 7 -0.004 8.316 -6.979 1.00 0.00 C ATOM 89 C CYS A 7 0.424 9.758 -6.747 1.00 0.00 C ATOM 90 O CYS A 7 1.218 10.317 -7.478 1.00 0.00 O ATOM 91 CB CYS A 7 -1.492 8.251 -7.283 1.00 0.00 C ATOM 92 SG CYS A 7 -1.830 8.863 -8.953 1.00 0.00 S ATOM 0 H CYS A 7 -0.631 7.472 -5.100 1.00 0.00 H new ATOM 0 HA CYS A 7 0.586 7.915 -7.803 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.843 7.223 -7.189 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.044 8.845 -6.554 1.00 0.00 H new ATOM 97 N THR A 8 -0.101 10.353 -5.723 1.00 0.00 N ATOM 98 CA THR A 8 0.256 11.759 -5.402 1.00 0.00 C ATOM 99 C THR A 8 1.477 11.780 -4.472 1.00 0.00 C ATOM 100 O THR A 8 1.623 12.648 -3.633 1.00 0.00 O ATOM 101 CB THR A 8 -0.990 12.304 -4.701 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.031 12.463 -5.655 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.681 13.655 -4.055 1.00 0.00 C ATOM 0 H THR A 8 -0.771 9.923 -5.085 1.00 0.00 H new ATOM 0 HA THR A 8 0.523 12.353 -6.276 1.00 0.00 H new ATOM 0 HB THR A 8 -1.301 11.603 -3.926 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.832 12.810 -5.210 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.575 14.034 -3.559 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.117 13.534 -3.323 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.365 14.362 -4.823 1.00 0.00 H new ATOM 111 N SER A 9 2.359 10.823 -4.615 1.00 0.00 N ATOM 112 CA SER A 9 3.570 10.780 -3.742 1.00 0.00 C ATOM 113 C SER A 9 4.300 9.444 -3.921 1.00 0.00 C ATOM 114 O SER A 9 3.971 8.658 -4.787 1.00 0.00 O ATOM 115 CB SER A 9 3.036 10.909 -2.313 1.00 0.00 C ATOM 116 OG SER A 9 3.891 10.204 -1.422 1.00 0.00 O ATOM 0 H SER A 9 2.292 10.069 -5.299 1.00 0.00 H new ATOM 0 HA SER A 9 4.281 11.570 -3.984 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.982 11.959 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.023 10.510 -2.254 1.00 0.00 H new ATOM 0 HG SER A 9 3.550 10.288 -0.507 1.00 0.00 H new ATOM 122 N ILE A 10 5.284 9.179 -3.105 1.00 0.00 N ATOM 123 CA ILE A 10 6.028 7.894 -3.223 1.00 0.00 C ATOM 124 C ILE A 10 5.807 7.038 -1.972 1.00 0.00 C ATOM 125 O ILE A 10 6.142 7.431 -0.872 1.00 0.00 O ATOM 126 CB ILE A 10 7.498 8.288 -3.337 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.724 9.066 -4.637 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.362 7.027 -3.340 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.270 10.458 -4.313 1.00 0.00 C ATOM 0 H ILE A 10 5.605 9.798 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 10 5.695 7.308 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 10 7.772 8.916 -2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.424 8.529 -5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.788 9.151 -5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.413 7.306 -3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.204 6.475 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.087 6.399 -4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.430 11.010 -5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.554 10.994 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.215 10.363 -3.779 1.00 0.00 H new ATOM 141 N CYS A 11 5.254 5.872 -2.135 1.00 0.00 N ATOM 142 CA CYS A 11 5.017 4.983 -0.955 1.00 0.00 C ATOM 143 C CYS A 11 5.913 3.744 -1.063 1.00 0.00 C ATOM 144 O CYS A 11 6.213 3.283 -2.146 1.00 0.00 O ATOM 145 CB CYS A 11 3.531 4.609 -1.028 1.00 0.00 C ATOM 146 SG CYS A 11 3.257 3.427 -2.370 1.00 0.00 S ATOM 0 H CYS A 11 4.954 5.491 -3.032 1.00 0.00 H new ATOM 0 HA CYS A 11 5.253 5.463 -0.005 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.209 4.177 -0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.930 5.503 -1.191 1.00 0.00 H new ATOM 151 N SER A 12 6.359 3.211 0.042 1.00 0.00 N ATOM 152 CA SER A 12 7.255 2.015 -0.026 1.00 0.00 C ATOM 153 C SER A 12 6.515 0.713 0.247 1.00 0.00 C ATOM 154 O SER A 12 5.305 0.660 0.337 1.00 0.00 O ATOM 155 CB SER A 12 8.318 2.224 1.044 1.00 0.00 C ATOM 156 OG SER A 12 7.890 3.225 1.958 1.00 0.00 O ATOM 0 H SER A 12 6.146 3.546 0.982 1.00 0.00 H new ATOM 0 HA SER A 12 7.673 1.927 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.503 1.290 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.260 2.519 0.581 1.00 0.00 H new ATOM 0 HG SER A 12 8.576 3.355 2.646 1.00 0.00 H new ATOM 162 N LEU A 13 7.267 -0.343 0.376 1.00 0.00 N ATOM 163 CA LEU A 13 6.660 -1.681 0.638 1.00 0.00 C ATOM 164 C LEU A 13 6.013 -1.706 2.024 1.00 0.00 C ATOM 165 O LEU A 13 4.938 -2.244 2.205 1.00 0.00 O ATOM 166 CB LEU A 13 7.835 -2.680 0.511 1.00 0.00 C ATOM 167 CG LEU A 13 7.691 -3.852 1.495 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.020 -3.387 2.916 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.262 -4.404 1.445 1.00 0.00 C ATOM 0 H LEU A 13 8.285 -0.338 0.311 1.00 0.00 H new ATOM 0 HA LEU A 13 5.861 -1.933 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.879 -3.063 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.776 -2.162 0.697 1.00 0.00 H new ATOM 0 HG LEU A 13 8.387 -4.640 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.915 -4.224 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.044 -3.015 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.335 -2.590 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.168 -5.234 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.558 -3.618 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.042 -4.753 0.436 1.00 0.00 H new ATOM 181 N TYR A 14 6.643 -1.120 2.996 1.00 0.00 N ATOM 182 CA TYR A 14 6.044 -1.108 4.353 1.00 0.00 C ATOM 183 C TYR A 14 4.849 -0.159 4.360 1.00 0.00 C ATOM 184 O TYR A 14 3.889 -0.357 5.076 1.00 0.00 O ATOM 185 CB TYR A 14 7.138 -0.616 5.298 1.00 0.00 C ATOM 186 CG TYR A 14 6.721 -0.917 6.717 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.705 -0.163 7.317 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.341 -1.953 7.430 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.308 -0.441 8.631 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.943 -2.231 8.745 1.00 0.00 C ATOM 191 CZ TYR A 14 5.926 -1.475 9.345 1.00 0.00 C ATOM 192 OH TYR A 14 5.534 -1.749 10.639 1.00 0.00 O ATOM 0 H TYR A 14 7.544 -0.650 2.911 1.00 0.00 H new ATOM 0 HA TYR A 14 5.690 -2.092 4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.084 -1.107 5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.296 0.455 5.169 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.227 0.634 6.766 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.124 -2.536 6.967 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.525 0.142 9.094 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.420 -3.028 9.296 1.00 0.00 H new ATOM 0 HH TYR A 14 6.062 -2.496 10.990 1.00 0.00 H new ATOM 202 N GLN A 15 4.889 0.859 3.541 1.00 0.00 N ATOM 203 CA GLN A 15 3.739 1.797 3.481 1.00 0.00 C ATOM 204 C GLN A 15 2.595 1.104 2.742 1.00 0.00 C ATOM 205 O GLN A 15 1.462 1.113 3.184 1.00 0.00 O ATOM 206 CB GLN A 15 4.250 3.025 2.718 1.00 0.00 C ATOM 207 CG GLN A 15 4.308 4.223 3.668 1.00 0.00 C ATOM 208 CD GLN A 15 4.917 5.423 2.941 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.219 6.357 2.598 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.196 5.437 2.689 1.00 0.00 N ATOM 0 H GLN A 15 5.665 1.077 2.916 1.00 0.00 H new ATOM 0 HA GLN A 15 3.365 2.093 4.461 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.239 2.825 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.592 3.245 1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.307 4.469 4.022 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.904 3.976 4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.781 4.653 2.977 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.612 6.232 2.204 1.00 0.00 H new ATOM 219 N LEU A 16 2.889 0.451 1.646 1.00 0.00 N ATOM 220 CA LEU A 16 1.816 -0.280 0.928 1.00 0.00 C ATOM 221 C LEU A 16 1.470 -1.530 1.736 1.00 0.00 C ATOM 222 O LEU A 16 0.439 -2.145 1.552 1.00 0.00 O ATOM 223 CB LEU A 16 2.412 -0.652 -0.430 1.00 0.00 C ATOM 224 CG LEU A 16 1.285 -0.825 -1.448 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.113 0.468 -2.248 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.632 -1.971 -2.398 1.00 0.00 C ATOM 0 H LEU A 16 3.817 0.396 1.225 1.00 0.00 H new ATOM 0 HA LEU A 16 0.905 0.304 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.101 0.124 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.987 -1.574 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 16 0.355 -1.052 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.309 0.343 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.866 1.285 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.041 0.698 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.830 -2.096 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.562 -1.743 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.752 -2.892 -1.828 1.00 0.00 H new ATOM 238 N GLU A 17 2.337 -1.893 2.644 1.00 0.00 N ATOM 239 CA GLU A 17 2.092 -3.086 3.498 1.00 0.00 C ATOM 240 C GLU A 17 0.739 -2.981 4.176 1.00 0.00 C ATOM 241 O GLU A 17 0.057 -3.965 4.392 1.00 0.00 O ATOM 242 CB GLU A 17 3.181 -3.020 4.550 1.00 0.00 C ATOM 243 CG GLU A 17 3.472 -4.421 5.071 1.00 0.00 C ATOM 244 CD GLU A 17 2.478 -4.769 6.180 1.00 0.00 C ATOM 245 OE1 GLU A 17 2.313 -3.958 7.077 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.900 -5.842 6.116 1.00 0.00 O ATOM 0 H GLU A 17 3.214 -1.406 2.830 1.00 0.00 H new ATOM 0 HA GLU A 17 2.101 -4.012 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.085 -2.584 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.870 -2.373 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.397 -5.145 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.492 -4.474 5.452 1.00 0.00 H new ATOM 253 N ASN A 18 0.347 -1.791 4.522 1.00 0.00 N ATOM 254 CA ASN A 18 -0.968 -1.606 5.207 1.00 0.00 C ATOM 255 C ASN A 18 -2.143 -1.842 4.245 1.00 0.00 C ATOM 256 O ASN A 18 -3.210 -1.287 4.419 1.00 0.00 O ATOM 257 CB ASN A 18 -0.951 -0.154 5.688 1.00 0.00 C ATOM 258 CG ASN A 18 0.359 0.120 6.432 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.168 -0.771 6.605 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.604 1.319 6.882 1.00 0.00 N ATOM 0 H ASN A 18 0.877 -0.934 4.362 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.102 -2.317 6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.048 0.523 4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.801 0.033 6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.474 1.509 7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.074 2.067 6.737 1.00 0.00 H new ATOM 267 N TYR A 19 -1.972 -2.662 3.238 1.00 0.00 N ATOM 268 CA TYR A 19 -3.101 -2.916 2.294 1.00 0.00 C ATOM 269 C TYR A 19 -3.204 -4.411 1.948 1.00 0.00 C ATOM 270 O TYR A 19 -4.179 -4.853 1.373 1.00 0.00 O ATOM 271 CB TYR A 19 -2.778 -2.077 1.056 1.00 0.00 C ATOM 272 CG TYR A 19 -2.740 -0.616 1.447 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.847 -0.026 2.075 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.594 0.146 1.193 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.805 1.324 2.448 1.00 0.00 C ATOM 276 CE2 TYR A 19 -1.549 1.495 1.570 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.656 2.084 2.196 1.00 0.00 C ATOM 278 OH TYR A 19 -2.612 3.413 2.568 1.00 0.00 O ATOM 0 H TYR A 19 -1.107 -3.162 3.031 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.065 -2.644 2.724 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.819 -2.379 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.530 -2.241 0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.732 -0.613 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.743 -0.306 0.706 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.658 1.778 2.930 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.662 2.080 1.378 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.743 3.793 2.322 1.00 0.00 H new ATOM 288 N CYS A 20 -2.218 -5.200 2.303 1.00 0.00 N ATOM 289 CA CYS A 20 -2.285 -6.661 2.003 1.00 0.00 C ATOM 290 C CYS A 20 -3.544 -7.256 2.645 1.00 0.00 C ATOM 291 O CYS A 20 -4.497 -6.557 2.922 1.00 0.00 O ATOM 292 CB CYS A 20 -1.030 -7.270 2.641 1.00 0.00 C ATOM 293 SG CYS A 20 0.432 -6.283 2.227 1.00 0.00 S ATOM 0 H CYS A 20 -1.373 -4.894 2.786 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.328 -6.861 0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.151 -7.316 3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.897 -8.294 2.291 1.00 0.00 H new ATOM 298 N ASN A 21 -3.555 -8.539 2.892 1.00 0.00 N ATOM 299 CA ASN A 21 -4.756 -9.158 3.527 1.00 0.00 C ATOM 300 C ASN A 21 -4.964 -8.579 4.929 1.00 0.00 C ATOM 301 O ASN A 21 -6.108 -8.372 5.300 1.00 0.00 O ATOM 302 CB ASN A 21 -4.445 -10.652 3.608 1.00 0.00 C ATOM 303 CG ASN A 21 -5.457 -11.333 4.534 1.00 0.00 C ATOM 304 OD1 ASN A 21 -6.606 -11.502 4.178 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.074 -11.734 5.717 1.00 0.00 N ATOM 306 OXT ASN A 21 -3.975 -8.357 5.609 1.00 0.00 O ATOM 0 H ASN A 21 -2.791 -9.181 2.684 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.667 -8.965 2.960 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.487 -11.098 2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.433 -10.804 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.740 -12.189 6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.109 -11.592 6.016 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 8.728 -3.822 -6.406 1.00 0.00 N ATOM 315 CA PHE B 1 8.381 -2.558 -5.694 1.00 0.00 C ATOM 316 C PHE B 1 9.452 -1.489 -5.962 1.00 0.00 C ATOM 317 O PHE B 1 10.601 -1.797 -6.207 1.00 0.00 O ATOM 318 CB PHE B 1 8.319 -2.952 -4.204 1.00 0.00 C ATOM 319 CG PHE B 1 9.583 -2.537 -3.479 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.731 -1.216 -3.035 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.604 -3.470 -3.251 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.896 -0.828 -2.365 1.00 0.00 C ATOM 323 CE2 PHE B 1 11.771 -3.082 -2.580 1.00 0.00 C ATOM 324 CZ PHE B 1 11.917 -1.761 -2.136 1.00 0.00 C ATOM 0 H1 PHE B 1 7.998 -4.538 -6.218 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.781 -3.641 -7.429 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.648 -4.169 -6.068 1.00 0.00 H new ATOM 0 HA PHE B 1 7.437 -2.126 -6.027 1.00 0.00 H new ATOM 0 HB2 PHE B 1 7.455 -2.480 -3.735 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.181 -4.030 -4.115 1.00 0.00 H new ATOM 0 HD1 PHE B 1 8.945 -0.497 -3.210 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.491 -4.488 -3.593 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.009 0.191 -2.024 1.00 0.00 H new ATOM 0 HE2 PHE B 1 12.558 -3.801 -2.405 1.00 0.00 H new ATOM 0 HZ PHE B 1 12.816 -1.462 -1.617 1.00 0.00 H new ATOM 336 N VAL B 2 9.082 -0.238 -5.915 1.00 0.00 N ATOM 337 CA VAL B 2 10.080 0.844 -6.166 1.00 0.00 C ATOM 338 C VAL B 2 9.676 2.124 -5.428 1.00 0.00 C ATOM 339 O VAL B 2 8.521 2.502 -5.408 1.00 0.00 O ATOM 340 CB VAL B 2 10.050 1.069 -7.678 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.666 -0.139 -8.385 1.00 0.00 C ATOM 342 CG2 VAL B 2 8.601 1.244 -8.138 1.00 0.00 C ATOM 0 H VAL B 2 8.135 0.082 -5.714 1.00 0.00 H new ATOM 0 HA VAL B 2 11.075 0.574 -5.812 1.00 0.00 H new ATOM 0 HB VAL B 2 10.621 1.964 -7.924 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.645 0.021 -9.463 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.698 -0.265 -8.057 1.00 0.00 H new ATOM 0 HG13 VAL B 2 10.095 -1.034 -8.140 1.00 0.00 H new ATOM 0 HG21 VAL B 2 8.578 1.405 -9.216 1.00 0.00 H new ATOM 0 HG22 VAL B 2 8.031 0.348 -7.892 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.161 2.104 -7.634 1.00 0.00 H new ATOM 352 N ASN B 3 10.620 2.796 -4.825 1.00 0.00 N ATOM 353 CA ASN B 3 10.287 4.052 -4.094 1.00 0.00 C ATOM 354 C ASN B 3 9.857 5.137 -5.083 1.00 0.00 C ATOM 355 O ASN B 3 10.618 6.019 -5.427 1.00 0.00 O ATOM 356 CB ASN B 3 11.579 4.453 -3.380 1.00 0.00 C ATOM 357 CG ASN B 3 11.280 4.738 -1.907 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.168 5.077 -1.555 1.00 0.00 O ATOM 359 ND2 ASN B 3 12.233 4.611 -1.024 1.00 0.00 N ATOM 0 H ASN B 3 11.605 2.530 -4.807 1.00 0.00 H new ATOM 0 HA ASN B 3 9.463 3.917 -3.393 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.317 3.655 -3.465 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.009 5.336 -3.852 1.00 0.00 H new ATOM 0 HD21 ASN B 3 12.044 4.796 -0.039 1.00 0.00 H new ATOM 0 HD22 ASN B 3 13.167 4.326 -1.319 1.00 0.00 H new ATOM 366 N GLN B 4 8.641 5.071 -5.546 1.00 0.00 N ATOM 367 CA GLN B 4 8.145 6.084 -6.517 1.00 0.00 C ATOM 368 C GLN B 4 6.623 6.210 -6.377 1.00 0.00 C ATOM 369 O GLN B 4 6.040 5.707 -5.430 1.00 0.00 O ATOM 370 CB GLN B 4 8.537 5.522 -7.888 1.00 0.00 C ATOM 371 CG GLN B 4 8.455 6.623 -8.947 1.00 0.00 C ATOM 372 CD GLN B 4 9.568 6.424 -9.977 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.430 5.641 -10.895 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.675 7.106 -9.863 1.00 0.00 N ATOM 0 H GLN B 4 7.964 4.352 -5.291 1.00 0.00 H new ATOM 0 HA GLN B 4 8.561 7.079 -6.361 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.549 5.118 -7.849 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.875 4.698 -8.156 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.482 6.598 -9.438 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.550 7.602 -8.477 1.00 0.00 H new ATOM 0 HE21 GLN B 4 10.792 7.764 -9.092 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.423 6.981 -10.545 1.00 0.00 H new ATOM 383 N HIS B 5 5.965 6.863 -7.299 1.00 0.00 N ATOM 384 CA HIS B 5 4.486 6.984 -7.183 1.00 0.00 C ATOM 385 C HIS B 5 3.821 5.836 -7.957 1.00 0.00 C ATOM 386 O HIS B 5 4.207 5.524 -9.066 1.00 0.00 O ATOM 387 CB HIS B 5 4.093 8.347 -7.784 1.00 0.00 C ATOM 388 CG HIS B 5 5.182 9.365 -7.551 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.058 10.372 -6.607 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.409 9.556 -8.139 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.177 11.117 -6.655 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.035 10.662 -7.572 1.00 0.00 N ATOM 0 H HIS B 5 6.382 7.311 -8.115 1.00 0.00 H new ATOM 0 HA HIS B 5 4.160 6.924 -6.145 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.911 8.240 -8.853 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.162 8.693 -7.335 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.825 8.941 -8.923 1.00 0.00 H new ATOM 0 HE1 HIS B 5 6.359 11.978 -6.029 1.00 0.00 H new ATOM 0 HE2 HIS B 5 7.952 11.043 -7.806 1.00 0.00 H new ATOM 400 N LEU B 6 2.860 5.169 -7.367 1.00 0.00 N ATOM 401 CA LEU B 6 2.231 4.008 -8.068 1.00 0.00 C ATOM 402 C LEU B 6 0.775 4.224 -8.498 1.00 0.00 C ATOM 403 O LEU B 6 0.036 3.270 -8.586 1.00 0.00 O ATOM 404 CB LEU B 6 2.279 2.873 -7.046 1.00 0.00 C ATOM 405 CG LEU B 6 3.722 2.563 -6.670 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.749 1.761 -5.367 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.351 1.738 -7.780 1.00 0.00 C ATOM 0 H LEU B 6 2.487 5.375 -6.440 1.00 0.00 H new ATOM 0 HA LEU B 6 2.770 3.819 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.716 3.152 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.804 1.983 -7.458 1.00 0.00 H new ATOM 0 HG LEU B 6 4.277 3.492 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.782 1.539 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.284 2.343 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.201 0.829 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.385 1.510 -7.522 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.794 0.809 -7.903 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.326 2.303 -8.712 1.00 0.00 H new ATOM 419 N CYS B 7 0.365 5.426 -8.790 1.00 0.00 N ATOM 420 CA CYS B 7 -1.055 5.673 -9.233 1.00 0.00 C ATOM 421 C CYS B 7 -1.828 4.370 -9.494 1.00 0.00 C ATOM 422 O CYS B 7 -1.463 3.575 -10.333 1.00 0.00 O ATOM 423 CB CYS B 7 -0.933 6.502 -10.504 1.00 0.00 C ATOM 424 SG CYS B 7 -0.325 8.133 -10.057 1.00 0.00 S ATOM 0 H CYS B 7 0.950 6.261 -8.744 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.623 6.184 -8.455 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.252 6.022 -11.207 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.900 6.580 -11.001 1.00 0.00 H new ATOM 429 N GLY B 8 -2.876 4.166 -8.734 1.00 0.00 N ATOM 430 CA GLY B 8 -3.735 2.936 -8.827 1.00 0.00 C ATOM 431 C GLY B 8 -3.217 1.890 -9.836 1.00 0.00 C ATOM 432 O GLY B 8 -2.808 0.816 -9.441 1.00 0.00 O ATOM 0 H GLY B 8 -3.186 4.828 -8.023 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.801 2.475 -7.842 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.746 3.230 -9.110 1.00 0.00 H new ATOM 436 N SER B 9 -3.237 2.153 -11.124 1.00 0.00 N ATOM 437 CA SER B 9 -2.756 1.117 -12.081 1.00 0.00 C ATOM 438 C SER B 9 -1.356 0.648 -11.698 1.00 0.00 C ATOM 439 O SER B 9 -1.023 -0.525 -11.787 1.00 0.00 O ATOM 440 CB SER B 9 -2.742 1.810 -13.443 1.00 0.00 C ATOM 441 OG SER B 9 -1.508 1.542 -14.098 1.00 0.00 O ATOM 0 H SER B 9 -3.560 3.025 -11.543 1.00 0.00 H new ATOM 0 HA SER B 9 -3.392 0.232 -12.083 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.574 1.456 -14.052 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.874 2.885 -13.318 1.00 0.00 H new ATOM 0 HG SER B 9 -1.499 1.985 -14.972 1.00 0.00 H new ATOM 447 N HIS B 10 -0.542 1.544 -11.233 1.00 0.00 N ATOM 448 CA HIS B 10 0.821 1.137 -10.827 1.00 0.00 C ATOM 449 C HIS B 10 0.702 0.432 -9.492 1.00 0.00 C ATOM 450 O HIS B 10 1.366 -0.548 -9.221 1.00 0.00 O ATOM 451 CB HIS B 10 1.616 2.432 -10.710 1.00 0.00 C ATOM 452 CG HIS B 10 2.426 2.632 -11.959 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.853 2.610 -13.220 1.00 0.00 N ATOM 454 CD2 HIS B 10 3.765 2.858 -12.160 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.834 2.818 -14.116 1.00 0.00 C ATOM 456 NE2 HIS B 10 4.021 2.975 -13.524 1.00 0.00 N ATOM 0 H HIS B 10 -0.760 2.534 -11.117 1.00 0.00 H new ATOM 0 HA HIS B 10 1.311 0.461 -11.528 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.941 3.275 -10.562 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.272 2.392 -9.840 1.00 0.00 H new ATOM 0 HD2 HIS B 10 4.507 2.934 -11.379 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.681 2.854 -15.184 1.00 0.00 H new ATOM 0 HE2 HIS B 10 4.921 3.144 -13.974 1.00 0.00 H new ATOM 464 N LEU B 11 -0.173 0.924 -8.667 1.00 0.00 N ATOM 465 CA LEU B 11 -0.384 0.287 -7.348 1.00 0.00 C ATOM 466 C LEU B 11 -0.912 -1.123 -7.532 1.00 0.00 C ATOM 467 O LEU B 11 -0.363 -2.069 -7.010 1.00 0.00 O ATOM 468 CB LEU B 11 -1.457 1.115 -6.654 1.00 0.00 C ATOM 469 CG LEU B 11 -0.795 2.258 -5.901 1.00 0.00 C ATOM 470 CD1 LEU B 11 -1.866 3.177 -5.313 1.00 0.00 C ATOM 471 CD2 LEU B 11 0.049 1.659 -4.782 1.00 0.00 C ATOM 0 H LEU B 11 -0.752 1.743 -8.852 1.00 0.00 H new ATOM 0 HA LEU B 11 0.545 0.241 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.162 1.506 -7.387 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.026 0.491 -5.965 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.168 2.844 -6.573 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.388 3.995 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.479 3.582 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.496 2.610 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.536 2.460 -4.225 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.591 1.087 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.806 1.002 -5.209 1.00 0.00 H new ATOM 483 N VAL B 12 -1.990 -1.280 -8.257 1.00 0.00 N ATOM 484 CA VAL B 12 -2.537 -2.633 -8.418 1.00 0.00 C ATOM 485 C VAL B 12 -1.423 -3.584 -8.843 1.00 0.00 C ATOM 486 O VAL B 12 -1.464 -4.760 -8.554 1.00 0.00 O ATOM 487 CB VAL B 12 -3.636 -2.496 -9.475 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.653 -3.705 -10.411 1.00 0.00 C ATOM 489 CG2 VAL B 12 -4.990 -2.384 -8.777 1.00 0.00 C ATOM 0 H VAL B 12 -2.499 -0.535 -8.732 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.949 -3.048 -7.498 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.437 -1.603 -10.067 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.443 -3.581 -11.151 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.691 -3.787 -10.917 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.837 -4.610 -9.833 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.778 -2.286 -9.524 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.166 -3.278 -8.179 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.994 -1.508 -8.129 1.00 0.00 H new ATOM 499 N GLU B 13 -0.421 -3.089 -9.518 1.00 0.00 N ATOM 500 CA GLU B 13 0.684 -3.995 -9.935 1.00 0.00 C ATOM 501 C GLU B 13 1.790 -4.029 -8.873 1.00 0.00 C ATOM 502 O GLU B 13 2.554 -4.977 -8.786 1.00 0.00 O ATOM 503 CB GLU B 13 1.214 -3.405 -11.241 1.00 0.00 C ATOM 504 CG GLU B 13 0.208 -3.659 -12.365 1.00 0.00 C ATOM 505 CD GLU B 13 0.569 -2.794 -13.574 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.467 -3.180 -14.305 1.00 0.00 O ATOM 507 OE2 GLU B 13 -0.056 -1.763 -13.749 1.00 0.00 O ATOM 0 H GLU B 13 -0.321 -2.112 -9.795 1.00 0.00 H new ATOM 0 HA GLU B 13 0.340 -5.022 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.383 -2.334 -11.126 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.175 -3.854 -11.491 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.215 -4.713 -12.643 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.801 -3.425 -12.025 1.00 0.00 H new ATOM 514 N ALA B 14 1.869 -3.026 -8.043 1.00 0.00 N ATOM 515 CA ALA B 14 2.919 -3.027 -6.993 1.00 0.00 C ATOM 516 C ALA B 14 2.314 -3.530 -5.702 1.00 0.00 C ATOM 517 O ALA B 14 3.002 -3.892 -4.774 1.00 0.00 O ATOM 518 CB ALA B 14 3.361 -1.569 -6.855 1.00 0.00 C ATOM 0 H ALA B 14 1.255 -2.212 -8.048 1.00 0.00 H new ATOM 0 HA ALA B 14 3.765 -3.669 -7.238 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.138 -1.495 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.753 -1.216 -7.809 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.508 -0.956 -6.564 1.00 0.00 H new ATOM 524 N LEU B 15 1.020 -3.566 -5.645 1.00 0.00 N ATOM 525 CA LEU B 15 0.355 -4.059 -4.433 1.00 0.00 C ATOM 526 C LEU B 15 0.084 -5.551 -4.619 1.00 0.00 C ATOM 527 O LEU B 15 -0.007 -6.304 -3.670 1.00 0.00 O ATOM 528 CB LEU B 15 -0.901 -3.209 -4.377 1.00 0.00 C ATOM 529 CG LEU B 15 -2.063 -3.959 -3.729 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.586 -4.693 -2.473 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.150 -2.955 -3.345 1.00 0.00 C ATOM 0 H LEU B 15 0.395 -3.271 -6.395 1.00 0.00 H new ATOM 0 HA LEU B 15 0.918 -3.977 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.698 -2.297 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.181 -2.906 -5.386 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.458 -4.689 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.424 -5.223 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.808 -5.407 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.186 -3.972 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -3.984 -3.482 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.743 -2.229 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -3.499 -2.437 -4.238 1.00 0.00 H new ATOM 543 N TYR B 16 0.025 -5.998 -5.850 1.00 0.00 N ATOM 544 CA TYR B 16 -0.163 -7.453 -6.098 1.00 0.00 C ATOM 545 C TYR B 16 1.176 -8.132 -5.928 1.00 0.00 C ATOM 546 O TYR B 16 1.278 -9.269 -5.516 1.00 0.00 O ATOM 547 CB TYR B 16 -0.598 -7.580 -7.575 1.00 0.00 C ATOM 548 CG TYR B 16 0.496 -8.260 -8.422 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.757 -9.636 -8.265 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.238 -7.526 -9.369 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.735 -10.265 -9.047 1.00 0.00 C ATOM 552 CE2 TYR B 16 2.219 -8.162 -10.143 1.00 0.00 C ATOM 553 CZ TYR B 16 2.462 -9.529 -9.986 1.00 0.00 C ATOM 554 OH TYR B 16 3.425 -10.149 -10.757 1.00 0.00 O ATOM 0 H TYR B 16 0.099 -5.419 -6.686 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.893 -7.899 -5.422 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.521 -8.157 -7.637 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -0.813 -6.591 -7.980 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.200 -10.209 -7.538 1.00 0.00 H new ATOM 0 HD2 TYR B 16 1.050 -6.470 -9.499 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.927 -11.321 -8.924 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.789 -7.593 -10.863 1.00 0.00 H new ATOM 0 HH TYR B 16 3.834 -9.493 -11.359 1.00 0.00 H new ATOM 564 N LEU B 17 2.201 -7.448 -6.336 1.00 0.00 N ATOM 565 CA LEU B 17 3.530 -8.063 -6.303 1.00 0.00 C ATOM 566 C LEU B 17 4.071 -7.970 -4.903 1.00 0.00 C ATOM 567 O LEU B 17 4.798 -8.826 -4.439 1.00 0.00 O ATOM 568 CB LEU B 17 4.361 -7.176 -7.189 1.00 0.00 C ATOM 569 CG LEU B 17 4.955 -8.027 -8.294 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.765 -7.152 -9.236 1.00 0.00 C ATOM 571 CD2 LEU B 17 5.823 -9.117 -7.684 1.00 0.00 C ATOM 0 H LEU B 17 2.167 -6.492 -6.689 1.00 0.00 H new ATOM 0 HA LEU B 17 3.525 -9.108 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU B 17 3.748 -6.380 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.152 -6.697 -6.612 1.00 0.00 H new ATOM 0 HG LEU B 17 4.156 -8.499 -8.866 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.190 -7.767 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.118 -6.392 -9.674 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.569 -6.668 -8.682 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.250 -9.729 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.626 -8.661 -7.105 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.215 -9.743 -7.031 1.00 0.00 H new ATOM 583 N VAL B 18 3.745 -6.907 -4.226 1.00 0.00 N ATOM 584 CA VAL B 18 4.281 -6.759 -2.875 1.00 0.00 C ATOM 585 C VAL B 18 3.464 -7.617 -1.904 1.00 0.00 C ATOM 586 O VAL B 18 3.948 -8.062 -0.882 1.00 0.00 O ATOM 587 CB VAL B 18 4.183 -5.263 -2.538 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.805 -4.933 -1.958 1.00 0.00 C ATOM 589 CG2 VAL B 18 5.260 -4.907 -1.511 1.00 0.00 C ATOM 0 H VAL B 18 3.140 -6.154 -4.554 1.00 0.00 H new ATOM 0 HA VAL B 18 5.315 -7.094 -2.798 1.00 0.00 H new ATOM 0 HB VAL B 18 4.329 -4.686 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.753 -3.869 -1.725 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.034 -5.183 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.645 -5.512 -1.048 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.195 -3.846 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.109 -5.496 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.244 -5.125 -1.926 1.00 0.00 H new ATOM 599 N CYS B 19 2.220 -7.845 -2.230 1.00 0.00 N ATOM 600 CA CYS B 19 1.339 -8.668 -1.351 1.00 0.00 C ATOM 601 C CYS B 19 0.298 -9.407 -2.211 1.00 0.00 C ATOM 602 O CYS B 19 -0.892 -9.253 -2.014 1.00 0.00 O ATOM 603 CB CYS B 19 0.653 -7.647 -0.444 1.00 0.00 C ATOM 604 SG CYS B 19 1.564 -7.522 1.111 1.00 0.00 S ATOM 0 H CYS B 19 1.772 -7.493 -3.076 1.00 0.00 H new ATOM 0 HA CYS B 19 1.885 -9.423 -0.785 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.615 -6.675 -0.935 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.377 -7.948 -0.252 1.00 0.00 H new ATOM 609 N GLY B 20 0.725 -10.194 -3.175 1.00 0.00 N ATOM 610 CA GLY B 20 -0.252 -10.907 -4.037 1.00 0.00 C ATOM 611 C GLY B 20 -0.505 -12.308 -3.486 1.00 0.00 C ATOM 612 O GLY B 20 -0.253 -12.585 -2.330 1.00 0.00 O ATOM 0 H GLY B 20 1.706 -10.367 -3.394 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -1.187 -10.349 -4.080 1.00 0.00 H new ATOM 0 HA3 GLY B 20 0.128 -10.971 -5.057 1.00 0.00 H new ATOM 616 N GLU B 21 -1.012 -13.194 -4.303 1.00 0.00 N ATOM 617 CA GLU B 21 -1.296 -14.576 -3.822 1.00 0.00 C ATOM 618 C GLU B 21 -1.935 -14.512 -2.434 1.00 0.00 C ATOM 619 O GLU B 21 -1.819 -15.420 -1.636 1.00 0.00 O ATOM 620 CB GLU B 21 0.068 -15.267 -3.760 1.00 0.00 C ATOM 621 CG GLU B 21 0.392 -15.886 -5.122 1.00 0.00 C ATOM 622 CD GLU B 21 1.778 -16.532 -5.075 1.00 0.00 C ATOM 623 OE1 GLU B 21 2.631 -16.008 -4.379 1.00 0.00 O ATOM 624 OE2 GLU B 21 1.961 -17.542 -5.736 1.00 0.00 O ATOM 0 H GLU B 21 -1.241 -13.019 -5.281 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.986 -15.114 -4.472 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.839 -14.548 -3.483 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.061 -16.039 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.359 -16.632 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.363 -15.120 -5.897 1.00 0.00 H new ATOM 631 N ARG B 22 -2.598 -13.427 -2.144 1.00 0.00 N ATOM 632 CA ARG B 22 -3.241 -13.268 -0.806 1.00 0.00 C ATOM 633 C ARG B 22 -4.359 -12.206 -0.855 1.00 0.00 C ATOM 634 O ARG B 22 -5.058 -11.993 0.117 1.00 0.00 O ATOM 635 CB ARG B 22 -2.084 -12.827 0.109 1.00 0.00 C ATOM 636 CG ARG B 22 -2.564 -11.815 1.153 1.00 0.00 C ATOM 637 CD ARG B 22 -1.406 -11.474 2.091 1.00 0.00 C ATOM 638 NE ARG B 22 -0.460 -10.677 1.261 1.00 0.00 N ATOM 639 CZ ARG B 22 0.808 -10.986 1.238 1.00 0.00 C ATOM 640 NH1 ARG B 22 1.243 -11.894 0.407 1.00 0.00 N ATOM 641 NH2 ARG B 22 1.642 -10.390 2.047 1.00 0.00 N ATOM 0 H ARG B 22 -2.724 -12.638 -2.779 1.00 0.00 H new ATOM 0 HA ARG B 22 -3.722 -14.181 -0.455 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -1.660 -13.697 0.609 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -1.289 -12.386 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -2.928 -10.913 0.662 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -3.398 -12.228 1.720 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -1.751 -10.904 2.953 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -0.930 -12.376 2.475 1.00 0.00 H new ATOM 0 HE ARG B 22 -0.803 -9.890 0.711 1.00 0.00 H new ATOM 0 HH11 ARG B 22 0.592 -12.362 -0.224 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.234 -12.136 0.389 1.00 0.00 H new ATOM 0 HH21 ARG B 22 1.303 -9.682 2.698 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.633 -10.633 2.028 1.00 0.00 H new ATOM 655 N GLY B 23 -4.532 -11.536 -1.963 1.00 0.00 N ATOM 656 CA GLY B 23 -5.595 -10.497 -2.048 1.00 0.00 C ATOM 657 C GLY B 23 -5.245 -9.337 -1.122 1.00 0.00 C ATOM 658 O GLY B 23 -4.387 -9.445 -0.269 1.00 0.00 O ATOM 0 H GLY B 23 -3.982 -11.665 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -5.690 -10.142 -3.074 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -6.558 -10.923 -1.767 1.00 0.00 H new ATOM 662 N PHE B 24 -5.909 -8.228 -1.278 1.00 0.00 N ATOM 663 CA PHE B 24 -5.623 -7.061 -0.403 1.00 0.00 C ATOM 664 C PHE B 24 -6.901 -6.261 -0.168 1.00 0.00 C ATOM 665 O PHE B 24 -7.960 -6.593 -0.664 1.00 0.00 O ATOM 666 CB PHE B 24 -4.591 -6.208 -1.151 1.00 0.00 C ATOM 667 CG PHE B 24 -4.865 -6.220 -2.641 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.016 -5.604 -3.153 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.956 -6.838 -3.512 1.00 0.00 C ATOM 670 CE1 PHE B 24 -6.259 -5.609 -4.534 1.00 0.00 C ATOM 671 CE2 PHE B 24 -4.199 -6.840 -4.893 1.00 0.00 C ATOM 672 CZ PHE B 24 -5.349 -6.226 -5.403 1.00 0.00 C ATOM 0 H PHE B 24 -6.639 -8.080 -1.975 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.246 -7.373 0.571 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.620 -5.184 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.588 -6.589 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.715 -5.126 -2.483 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.069 -7.312 -3.119 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.147 -5.137 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.499 -7.316 -5.564 1.00 0.00 H new ATOM 0 HZ PHE B 24 -5.535 -6.228 -6.467 1.00 0.00 H new ATOM 682 N PHE B 25 -6.805 -5.206 0.582 1.00 0.00 N ATOM 683 CA PHE B 25 -8.009 -4.371 0.852 1.00 0.00 C ATOM 684 C PHE B 25 -8.022 -3.159 -0.081 1.00 0.00 C ATOM 685 O PHE B 25 -8.894 -2.316 -0.008 1.00 0.00 O ATOM 686 CB PHE B 25 -7.875 -3.926 2.309 1.00 0.00 C ATOM 687 CG PHE B 25 -8.913 -2.870 2.606 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.238 -3.056 2.191 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.550 -1.706 3.295 1.00 0.00 C ATOM 690 CE1 PHE B 25 -11.202 -2.075 2.466 1.00 0.00 C ATOM 691 CE2 PHE B 25 -9.514 -0.725 3.570 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.840 -0.910 3.155 1.00 0.00 C ATOM 0 H PHE B 25 -5.944 -4.882 1.023 1.00 0.00 H new ATOM 0 HA PHE B 25 -8.937 -4.918 0.683 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.006 -4.779 2.975 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.875 -3.531 2.490 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -10.517 -3.954 1.660 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.528 -1.564 3.614 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.224 -2.218 2.147 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.235 0.173 4.101 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.582 -0.155 3.366 1.00 0.00 H new ATOM 702 N TYR B 26 -7.060 -3.064 -0.958 1.00 0.00 N ATOM 703 CA TYR B 26 -7.019 -1.907 -1.895 1.00 0.00 C ATOM 704 C TYR B 26 -8.253 -1.923 -2.807 1.00 0.00 C ATOM 705 O TYR B 26 -8.300 -2.633 -3.790 1.00 0.00 O ATOM 706 CB TYR B 26 -5.743 -2.105 -2.713 1.00 0.00 C ATOM 707 CG TYR B 26 -5.832 -1.268 -3.960 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.487 0.086 -3.917 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.288 -1.840 -5.154 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.594 0.871 -5.068 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.395 -1.058 -6.307 1.00 0.00 C ATOM 712 CZ TYR B 26 -6.048 0.301 -6.267 1.00 0.00 C ATOM 713 OH TYR B 26 -6.153 1.075 -7.404 1.00 0.00 O ATOM 0 H TYR B 26 -6.301 -3.737 -1.066 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.022 -0.950 -1.373 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.870 -1.817 -2.127 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.620 -3.157 -2.972 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.138 0.525 -2.994 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.557 -2.886 -5.184 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -5.327 1.917 -5.035 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.745 -1.499 -7.229 1.00 0.00 H new ATOM 0 HH TYR B 26 -6.482 0.525 -8.145 1.00 0.00 H new ATOM 723 N THR B 27 -9.253 -1.155 -2.481 1.00 0.00 N ATOM 724 CA THR B 27 -10.485 -1.136 -3.325 1.00 0.00 C ATOM 725 C THR B 27 -11.315 0.123 -3.024 1.00 0.00 C ATOM 726 O THR B 27 -12.511 0.042 -2.831 1.00 0.00 O ATOM 727 CB THR B 27 -11.249 -2.414 -2.941 1.00 0.00 C ATOM 728 OG1 THR B 27 -12.645 -2.218 -3.127 1.00 0.00 O ATOM 729 CG2 THR B 27 -10.971 -2.766 -1.480 1.00 0.00 C ATOM 0 H THR B 27 -9.274 -0.539 -1.668 1.00 0.00 H new ATOM 0 HA THR B 27 -10.262 -1.110 -4.392 1.00 0.00 H new ATOM 0 HB THR B 27 -10.913 -3.232 -3.578 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.963 -1.526 -2.510 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.515 -3.672 -1.214 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.902 -2.931 -1.342 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.297 -1.946 -0.840 1.00 0.00 H new ATOM 737 N PRO B 28 -10.657 1.257 -2.993 1.00 0.00 N ATOM 738 CA PRO B 28 -11.366 2.536 -2.712 1.00 0.00 C ATOM 739 C PRO B 28 -12.196 3.013 -3.917 1.00 0.00 C ATOM 740 O PRO B 28 -12.482 4.188 -4.044 1.00 0.00 O ATOM 741 CB PRO B 28 -10.232 3.517 -2.438 1.00 0.00 C ATOM 742 CG PRO B 28 -9.050 2.958 -3.161 1.00 0.00 C ATOM 743 CD PRO B 28 -9.215 1.463 -3.201 1.00 0.00 C ATOM 0 HA PRO B 28 -12.074 2.438 -1.889 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -10.479 4.515 -2.799 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -10.036 3.604 -1.369 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -8.989 3.365 -4.170 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.125 3.229 -2.652 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.887 1.051 -4.155 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -8.626 0.976 -2.424 1.00 0.00 H new ATOM 751 N LYS B 29 -12.589 2.132 -4.799 1.00 0.00 N ATOM 752 CA LYS B 29 -13.398 2.564 -5.974 1.00 0.00 C ATOM 753 C LYS B 29 -12.606 3.565 -6.821 1.00 0.00 C ATOM 754 O LYS B 29 -12.520 4.733 -6.499 1.00 0.00 O ATOM 755 CB LYS B 29 -14.641 3.230 -5.377 1.00 0.00 C ATOM 756 CG LYS B 29 -15.235 2.326 -4.293 1.00 0.00 C ATOM 757 CD LYS B 29 -16.255 3.116 -3.470 1.00 0.00 C ATOM 758 CE LYS B 29 -15.698 3.358 -2.065 1.00 0.00 C ATOM 759 NZ LYS B 29 -16.821 3.980 -1.309 1.00 0.00 N ATOM 0 H LYS B 29 -12.385 1.134 -4.756 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.657 1.730 -6.627 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.379 4.200 -4.953 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -15.379 3.412 -6.158 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.713 1.459 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.443 1.949 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.472 4.067 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.195 2.567 -3.411 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.378 2.425 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.829 4.015 -2.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -16.517 4.176 -0.334 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.100 4.869 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.632 3.329 -1.294 1.00 0.00 H new ATOM 773 N THR B 30 -12.026 3.114 -7.900 1.00 0.00 N ATOM 774 CA THR B 30 -11.239 4.041 -8.765 1.00 0.00 C ATOM 775 C THR B 30 -10.121 4.699 -7.953 1.00 0.00 C ATOM 776 O THR B 30 -9.869 5.872 -8.171 1.00 0.00 O ATOM 777 CB THR B 30 -12.244 5.090 -9.240 1.00 0.00 C ATOM 778 OG1 THR B 30 -13.551 4.531 -9.224 1.00 0.00 O ATOM 779 CG2 THR B 30 -11.893 5.528 -10.662 1.00 0.00 C ATOM 780 OXT THR B 30 -9.535 4.016 -7.128 1.00 0.00 O ATOM 0 H THR B 30 -12.062 2.146 -8.220 1.00 0.00 H new ATOM 0 HA THR B 30 -10.765 3.524 -9.599 1.00 0.00 H new ATOM 0 HB THR B 30 -12.209 5.955 -8.577 1.00 0.00 H new ATOM 0 HG1 THR B 30 -14.198 5.202 -9.527 1.00 0.00 H new ATOM 0 HG21 THR B 30 -12.610 6.276 -11.000 1.00 0.00 H new ATOM 0 HG22 THR B 30 -10.890 5.955 -10.674 1.00 0.00 H new ATOM 0 HG23 THR B 30 -11.928 4.665 -11.327 1.00 0.00 H new TER 788 THR B 30