USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 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: A 1 GLY N :NH3+ 172:sc= 1.09 (180deg=0.653) USER MOD Set 1.2: A 5 GLN : amide:sc= 0.353 K(o=1.4,f=-4.5!) USER MOD Single : A 8 THR OG1 : rot -79:sc= 1.17 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.305 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.548 K(o=0.55,f=-5.7!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.617 K(o=0.62,f=0) USER MOD Single : B 1 PHE N :NH3+ 142:sc= 0.182 (180deg=0.00887) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= 0.559 K(o=0.56,f=-1.9!) USER MOD Single : B 9 SER OG : rot 180:sc=0.000265 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.397 9.963 -1.747 1.00 0.00 N ATOM 2 CA GLY A 1 -1.207 8.592 -2.257 1.00 0.00 C ATOM 3 C GLY A 1 -2.508 7.974 -2.742 1.00 0.00 C ATOM 4 O GLY A 1 -3.578 8.353 -2.280 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.516 10.294 -1.304 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.647 10.595 -2.534 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.162 9.968 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.487 8.607 -3.075 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.782 7.969 -1.470 1.00 0.00 H new ATOM 10 N ILE A 2 -2.482 6.987 -3.648 1.00 0.00 N ATOM 11 CA ILE A 2 -1.297 6.441 -4.358 1.00 0.00 C ATOM 12 C ILE A 2 -1.138 6.941 -5.803 1.00 0.00 C ATOM 13 O ILE A 2 -0.010 7.160 -6.231 1.00 0.00 O ATOM 14 CB ILE A 2 -1.289 4.887 -4.316 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.607 4.232 -4.798 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.914 4.462 -2.888 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.573 2.697 -4.813 1.00 0.00 C ATOM 0 H ILE A 2 -3.340 6.512 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.434 6.825 -3.814 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.550 4.525 -5.030 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.421 4.561 -4.152 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.832 4.590 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.899 3.374 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.072 4.853 -2.639 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -1.649 4.857 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -3.532 2.315 -5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.782 2.357 -5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -2.380 2.327 -3.806 1.00 0.00 H new ATOM 29 N VAL A 3 -2.225 7.146 -6.548 1.00 0.00 N ATOM 30 CA VAL A 3 -2.201 7.331 -8.020 1.00 0.00 C ATOM 31 C VAL A 3 -1.433 8.594 -8.454 1.00 0.00 C ATOM 32 O VAL A 3 -0.801 8.603 -9.508 1.00 0.00 O ATOM 33 CB VAL A 3 -3.637 7.369 -8.610 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.645 7.359 -10.150 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.482 6.180 -8.121 1.00 0.00 C ATOM 0 H VAL A 3 -3.164 7.191 -6.152 1.00 0.00 H new ATOM 0 HA VAL A 3 -1.669 6.466 -8.417 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.069 8.306 -8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.674 7.387 -10.509 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.107 8.231 -10.522 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.159 6.452 -10.510 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.480 6.240 -8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.009 5.247 -8.428 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.556 6.209 -7.034 1.00 0.00 H new ATOM 45 N GLU A 4 -1.467 9.647 -7.632 1.00 0.00 N ATOM 46 CA GLU A 4 -0.741 10.905 -7.840 1.00 0.00 C ATOM 47 C GLU A 4 0.692 10.822 -7.294 1.00 0.00 C ATOM 48 O GLU A 4 1.649 11.166 -7.986 1.00 0.00 O ATOM 49 CB GLU A 4 -1.508 12.102 -7.218 1.00 0.00 C ATOM 50 CG GLU A 4 -2.558 11.832 -6.119 1.00 0.00 C ATOM 51 CD GLU A 4 -1.996 11.195 -4.846 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.706 9.977 -4.866 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.833 11.884 -3.817 1.00 0.00 O ATOM 0 H GLU A 4 -2.019 9.648 -6.774 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.674 11.073 -8.915 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.768 12.787 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.010 12.628 -8.030 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.041 12.773 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.331 11.180 -6.525 1.00 0.00 H new ATOM 60 N GLN A 5 0.847 10.338 -6.061 1.00 0.00 N ATOM 61 CA GLN A 5 2.110 10.333 -5.324 1.00 0.00 C ATOM 62 C GLN A 5 3.124 9.351 -5.920 1.00 0.00 C ATOM 63 O GLN A 5 4.290 9.703 -6.085 1.00 0.00 O ATOM 64 CB GLN A 5 1.786 9.982 -3.866 1.00 0.00 C ATOM 65 CG GLN A 5 3.008 9.965 -2.930 1.00 0.00 C ATOM 66 CD GLN A 5 2.626 9.763 -1.460 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.463 9.760 -1.070 1.00 0.00 O ATOM 68 NE2 GLN A 5 3.586 9.583 -0.579 1.00 0.00 N ATOM 0 H GLN A 5 0.076 9.928 -5.534 1.00 0.00 H new ATOM 0 HA GLN A 5 2.578 11.315 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 5 1.061 10.701 -3.484 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.308 9.003 -3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.685 9.168 -3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.553 10.903 -3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.561 9.582 -0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.356 9.445 0.405 1.00 0.00 H new ATOM 77 N CYS A 6 2.691 8.141 -6.279 1.00 0.00 N ATOM 78 CA CYS A 6 3.554 7.108 -6.855 1.00 0.00 C ATOM 79 C CYS A 6 3.944 7.377 -8.309 1.00 0.00 C ATOM 80 O CYS A 6 4.878 6.766 -8.827 1.00 0.00 O ATOM 81 CB CYS A 6 2.812 5.778 -6.767 1.00 0.00 C ATOM 82 SG CYS A 6 2.420 5.242 -5.073 1.00 0.00 S ATOM 0 H CYS A 6 1.720 7.847 -6.177 1.00 0.00 H new ATOM 0 HA CYS A 6 4.485 7.097 -6.288 1.00 0.00 H new ATOM 0 HB2 CYS A 6 1.884 5.856 -7.333 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.415 5.008 -7.248 1.00 0.00 H new ATOM 87 N CYS A 7 3.228 8.290 -8.960 1.00 0.00 N ATOM 88 CA CYS A 7 3.527 8.812 -10.291 1.00 0.00 C ATOM 89 C CYS A 7 4.528 9.979 -10.235 1.00 0.00 C ATOM 90 O CYS A 7 5.555 9.939 -10.917 1.00 0.00 O ATOM 91 CB CYS A 7 2.202 9.210 -10.956 1.00 0.00 C ATOM 92 SG CYS A 7 2.352 9.756 -12.675 1.00 0.00 S ATOM 0 H CYS A 7 2.387 8.704 -8.557 1.00 0.00 H new ATOM 0 HA CYS A 7 4.013 8.042 -10.890 1.00 0.00 H new ATOM 0 HB2 CYS A 7 1.522 8.359 -10.917 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.745 10.010 -10.374 1.00 0.00 H new ATOM 97 N THR A 8 4.243 11.002 -9.414 1.00 0.00 N ATOM 98 CA THR A 8 5.052 12.232 -9.291 1.00 0.00 C ATOM 99 C THR A 8 6.352 12.001 -8.527 1.00 0.00 C ATOM 100 O THR A 8 7.409 12.441 -8.973 1.00 0.00 O ATOM 101 CB THR A 8 4.247 13.371 -8.647 1.00 0.00 C ATOM 102 OG1 THR A 8 3.676 12.955 -7.423 1.00 0.00 O ATOM 103 CG2 THR A 8 3.132 13.859 -9.570 1.00 0.00 C ATOM 0 H THR A 8 3.427 11.000 -8.803 1.00 0.00 H new ATOM 0 HA THR A 8 5.318 12.526 -10.306 1.00 0.00 H new ATOM 0 HB THR A 8 4.944 14.190 -8.467 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.873 12.422 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.583 14.665 -9.083 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.565 14.226 -10.501 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.452 13.035 -9.786 1.00 0.00 H new ATOM 111 N SER A 9 6.294 11.277 -7.414 1.00 0.00 N ATOM 112 CA SER A 9 7.446 10.682 -6.725 1.00 0.00 C ATOM 113 C SER A 9 7.531 9.178 -7.056 1.00 0.00 C ATOM 114 O SER A 9 6.955 8.718 -8.047 1.00 0.00 O ATOM 115 CB SER A 9 7.334 10.943 -5.209 1.00 0.00 C ATOM 116 OG SER A 9 7.276 12.333 -4.912 1.00 0.00 O ATOM 0 H SER A 9 5.411 11.078 -6.944 1.00 0.00 H new ATOM 0 HA SER A 9 8.371 11.144 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.442 10.452 -4.821 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.189 10.499 -4.700 1.00 0.00 H new ATOM 0 HG SER A 9 7.204 12.458 -3.943 1.00 0.00 H new ATOM 122 N ILE A 10 8.253 8.387 -6.255 1.00 0.00 N ATOM 123 CA ILE A 10 8.340 6.923 -6.394 1.00 0.00 C ATOM 124 C ILE A 10 7.664 6.210 -5.216 1.00 0.00 C ATOM 125 O ILE A 10 7.636 6.735 -4.099 1.00 0.00 O ATOM 126 CB ILE A 10 9.807 6.462 -6.579 1.00 0.00 C ATOM 127 CG1 ILE A 10 10.713 6.772 -5.360 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.371 7.045 -7.884 1.00 0.00 C ATOM 129 CD1 ILE A 10 12.174 6.336 -5.531 1.00 0.00 C ATOM 0 H ILE A 10 8.804 8.749 -5.477 1.00 0.00 H new ATOM 0 HA ILE A 10 7.797 6.642 -7.296 1.00 0.00 H new ATOM 0 HB ILE A 10 9.802 5.374 -6.649 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.687 7.844 -5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 10 10.300 6.279 -4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.403 6.719 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.774 6.696 -8.726 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.337 8.134 -7.841 1.00 0.00 H new ATOM 0 HD11 ILE A 10 12.737 6.590 -4.633 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.216 5.259 -5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.609 6.849 -6.389 1.00 0.00 H new ATOM 141 N CYS A 11 7.151 5.003 -5.458 1.00 0.00 N ATOM 142 CA CYS A 11 6.603 4.108 -4.435 1.00 0.00 C ATOM 143 C CYS A 11 7.162 2.691 -4.561 1.00 0.00 C ATOM 144 O CYS A 11 7.649 2.292 -5.619 1.00 0.00 O ATOM 145 CB CYS A 11 5.086 4.032 -4.573 1.00 0.00 C ATOM 146 SG CYS A 11 4.172 5.503 -4.080 1.00 0.00 S ATOM 0 H CYS A 11 7.103 4.609 -6.398 1.00 0.00 H new ATOM 0 HA CYS A 11 6.887 4.516 -3.465 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.847 3.812 -5.613 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.729 3.191 -3.979 1.00 0.00 H new ATOM 151 N SER A 12 7.043 1.919 -3.487 1.00 0.00 N ATOM 152 CA SER A 12 7.448 0.510 -3.426 1.00 0.00 C ATOM 153 C SER A 12 6.283 -0.469 -3.637 1.00 0.00 C ATOM 154 O SER A 12 5.105 -0.124 -3.507 1.00 0.00 O ATOM 155 CB SER A 12 8.140 0.227 -2.080 1.00 0.00 C ATOM 156 OG SER A 12 7.208 0.134 -1.012 1.00 0.00 O ATOM 0 H SER A 12 6.652 2.260 -2.609 1.00 0.00 H new ATOM 0 HA SER A 12 8.142 0.345 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.704 -0.703 -2.151 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.857 1.020 -1.867 1.00 0.00 H new ATOM 0 HG SER A 12 7.686 -0.048 -0.176 1.00 0.00 H new ATOM 162 N LEU A 13 6.615 -1.738 -3.899 1.00 0.00 N ATOM 163 CA LEU A 13 5.644 -2.837 -3.949 1.00 0.00 C ATOM 164 C LEU A 13 4.976 -3.076 -2.588 1.00 0.00 C ATOM 165 O LEU A 13 3.794 -3.401 -2.528 1.00 0.00 O ATOM 166 CB LEU A 13 6.363 -4.111 -4.430 1.00 0.00 C ATOM 167 CG LEU A 13 7.055 -4.014 -5.809 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.597 -5.399 -6.191 1.00 0.00 C ATOM 169 CD2 LEU A 13 6.139 -3.488 -6.923 1.00 0.00 C ATOM 0 H LEU A 13 7.574 -2.034 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 13 4.850 -2.569 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.112 -4.385 -3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.637 -4.924 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 13 7.862 -3.288 -5.713 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.088 -5.342 -7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.316 -5.728 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.773 -6.111 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.693 -3.447 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.284 -4.154 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.789 -2.489 -6.665 1.00 0.00 H new ATOM 181 N TYR A 14 5.697 -2.857 -1.491 1.00 0.00 N ATOM 182 CA TYR A 14 5.147 -2.915 -0.130 1.00 0.00 C ATOM 183 C TYR A 14 4.139 -1.785 0.158 1.00 0.00 C ATOM 184 O TYR A 14 3.145 -1.997 0.856 1.00 0.00 O ATOM 185 CB TYR A 14 6.308 -2.905 0.870 1.00 0.00 C ATOM 186 CG TYR A 14 5.877 -2.996 2.322 1.00 0.00 C ATOM 187 CD1 TYR A 14 5.500 -4.239 2.865 1.00 0.00 C ATOM 188 CD2 TYR A 14 5.843 -1.838 3.127 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.086 -4.336 4.209 1.00 0.00 C ATOM 190 CE2 TYR A 14 5.428 -1.925 4.470 1.00 0.00 C ATOM 191 CZ TYR A 14 5.045 -3.172 5.014 1.00 0.00 C ATOM 192 OH TYR A 14 4.643 -3.252 6.313 1.00 0.00 O ATOM 0 H TYR A 14 6.691 -2.631 -1.518 1.00 0.00 H new ATOM 0 HA TYR A 14 4.579 -3.840 -0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.973 -3.740 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.886 -1.991 0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.528 -5.125 2.247 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.135 -0.884 2.713 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.802 -5.293 4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.402 -1.038 5.085 1.00 0.00 H new ATOM 0 HH TYR A 14 4.675 -2.361 6.721 1.00 0.00 H new ATOM 202 N GLN A 15 4.350 -0.604 -0.424 1.00 0.00 N ATOM 203 CA GLN A 15 3.402 0.517 -0.350 1.00 0.00 C ATOM 204 C GLN A 15 2.161 0.272 -1.223 1.00 0.00 C ATOM 205 O GLN A 15 1.059 0.637 -0.816 1.00 0.00 O ATOM 206 CB GLN A 15 4.101 1.826 -0.739 1.00 0.00 C ATOM 207 CG GLN A 15 5.053 2.311 0.368 1.00 0.00 C ATOM 208 CD GLN A 15 5.933 3.477 -0.080 1.00 0.00 C ATOM 209 OE1 GLN A 15 6.334 3.589 -1.232 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.283 4.389 0.805 1.00 0.00 N ATOM 0 H GLN A 15 5.189 -0.393 -0.965 1.00 0.00 H new ATOM 0 HA GLN A 15 3.056 0.598 0.680 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.661 1.679 -1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.353 2.593 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.469 2.615 1.237 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.687 1.483 0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.960 4.314 1.770 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.877 5.170 0.525 1.00 0.00 H new ATOM 219 N LEU A 16 2.303 -0.409 -2.371 1.00 0.00 N ATOM 220 CA LEU A 16 1.155 -0.938 -3.118 1.00 0.00 C ATOM 221 C LEU A 16 0.412 -2.024 -2.324 1.00 0.00 C ATOM 222 O LEU A 16 -0.816 -2.029 -2.309 1.00 0.00 O ATOM 223 CB LEU A 16 1.613 -1.476 -4.487 1.00 0.00 C ATOM 224 CG LEU A 16 2.125 -0.409 -5.477 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.592 -1.121 -6.751 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.064 0.641 -5.844 1.00 0.00 C ATOM 0 H LEU A 16 3.206 -0.606 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 16 0.454 -0.119 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.405 -2.207 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.779 -2.006 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 16 2.939 0.128 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.959 -0.384 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.393 -1.818 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.757 -1.668 -7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.491 1.360 -6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.209 0.148 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.739 1.160 -4.942 1.00 0.00 H new ATOM 238 N GLU A 17 1.129 -2.904 -1.616 1.00 0.00 N ATOM 239 CA GLU A 17 0.517 -3.974 -0.821 1.00 0.00 C ATOM 240 C GLU A 17 -0.340 -3.438 0.345 1.00 0.00 C ATOM 241 O GLU A 17 -1.362 -4.033 0.686 1.00 0.00 O ATOM 242 CB GLU A 17 1.586 -4.972 -0.340 1.00 0.00 C ATOM 243 CG GLU A 17 0.945 -6.205 0.316 1.00 0.00 C ATOM 244 CD GLU A 17 1.925 -7.369 0.494 1.00 0.00 C ATOM 245 OE1 GLU A 17 3.037 -7.174 1.037 1.00 0.00 O ATOM 246 OE2 GLU A 17 1.559 -8.507 0.115 1.00 0.00 O ATOM 0 H GLU A 17 2.148 -2.894 -1.578 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.174 -4.506 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.200 -5.285 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.249 -4.482 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.544 -5.924 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.103 -6.536 -0.292 1.00 0.00 H new ATOM 253 N ASN A 18 0.008 -2.275 0.913 1.00 0.00 N ATOM 254 CA ASN A 18 -0.804 -1.584 1.921 1.00 0.00 C ATOM 255 C ASN A 18 -2.216 -1.193 1.411 1.00 0.00 C ATOM 256 O ASN A 18 -3.136 -1.011 2.208 1.00 0.00 O ATOM 257 CB ASN A 18 -0.017 -0.355 2.407 1.00 0.00 C ATOM 258 CG ASN A 18 -0.682 0.334 3.591 1.00 0.00 C ATOM 259 OD1 ASN A 18 -1.246 1.416 3.474 1.00 0.00 O ATOM 260 ND2 ASN A 18 -0.632 -0.267 4.768 1.00 0.00 N ATOM 0 H ASN A 18 0.871 -1.783 0.682 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.987 -2.270 2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.991 -0.661 2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.083 0.356 1.587 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.064 0.170 5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.162 -1.167 4.861 1.00 0.00 H new ATOM 267 N TYR A 19 -2.397 -1.097 0.088 1.00 0.00 N ATOM 268 CA TYR A 19 -3.661 -0.800 -0.597 1.00 0.00 C ATOM 269 C TYR A 19 -4.376 -2.051 -1.164 1.00 0.00 C ATOM 270 O TYR A 19 -5.431 -1.921 -1.793 1.00 0.00 O ATOM 271 CB TYR A 19 -3.395 0.277 -1.670 1.00 0.00 C ATOM 272 CG TYR A 19 -3.351 1.691 -1.115 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.244 2.131 -0.364 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.438 2.566 -1.322 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.228 3.425 0.192 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.421 3.870 -0.791 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.317 4.300 -0.024 1.00 0.00 C ATOM 278 OH TYR A 19 -3.292 5.559 0.498 1.00 0.00 O ATOM 0 H TYR A 19 -1.627 -1.231 -0.567 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.367 -0.414 0.138 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.448 0.060 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.172 0.219 -2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.402 1.472 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.292 2.232 -1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.384 3.749 0.783 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.250 4.539 -0.970 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.116 6.030 0.256 1.00 0.00 H new ATOM 288 N CYS A 20 -3.874 -3.271 -0.914 1.00 0.00 N ATOM 289 CA CYS A 20 -4.634 -4.504 -1.180 1.00 0.00 C ATOM 290 C CYS A 20 -5.878 -4.618 -0.277 1.00 0.00 C ATOM 291 O CYS A 20 -5.897 -4.121 0.855 1.00 0.00 O ATOM 292 CB CYS A 20 -3.754 -5.752 -1.042 1.00 0.00 C ATOM 293 SG CYS A 20 -2.307 -5.816 -2.129 1.00 0.00 S ATOM 0 H CYS A 20 -2.944 -3.430 -0.527 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.975 -4.443 -2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.413 -5.821 -0.009 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.369 -6.631 -1.234 1.00 0.00 H new ATOM 298 N ASN A 21 -6.918 -5.284 -0.785 1.00 0.00 N ATOM 299 CA ASN A 21 -8.179 -5.566 -0.085 1.00 0.00 C ATOM 300 C ASN A 21 -8.026 -6.705 0.949 1.00 0.00 C ATOM 301 O ASN A 21 -7.375 -7.727 0.638 1.00 0.00 O ATOM 302 CB ASN A 21 -9.263 -5.843 -1.150 1.00 0.00 C ATOM 303 CG ASN A 21 -10.508 -6.530 -0.607 1.00 0.00 C ATOM 304 OD1 ASN A 21 -11.397 -5.910 -0.032 1.00 0.00 O ATOM 305 ND2 ASN A 21 -10.619 -7.827 -0.794 1.00 0.00 N ATOM 306 OXT ASN A 21 -8.558 -6.565 2.072 1.00 0.00 O ATOM 0 H ASN A 21 -6.907 -5.658 -1.734 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.483 -4.703 0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.554 -4.899 -1.611 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.833 -6.463 -1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.447 -8.321 -0.461 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.878 -8.339 -1.273 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 12.721 -3.526 -0.639 1.00 0.00 N ATOM 315 CA PHE B 1 11.737 -3.612 -1.748 1.00 0.00 C ATOM 316 C PHE B 1 12.129 -2.676 -2.900 1.00 0.00 C ATOM 317 O PHE B 1 12.635 -1.584 -2.651 1.00 0.00 O ATOM 318 CB PHE B 1 10.305 -3.283 -1.276 1.00 0.00 C ATOM 319 CG PHE B 1 9.763 -4.193 -0.186 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.200 -5.443 -0.522 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.806 -3.790 1.164 1.00 0.00 C ATOM 322 CE1 PHE B 1 8.695 -6.283 0.485 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.307 -4.638 2.169 1.00 0.00 C ATOM 324 CZ PHE B 1 8.749 -5.883 1.831 1.00 0.00 C ATOM 0 H1 PHE B 1 12.223 -3.583 0.272 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.397 -4.312 -0.713 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.233 -2.623 -0.698 1.00 0.00 H new ATOM 0 HA PHE B 1 11.749 -4.643 -2.102 1.00 0.00 H new ATOM 0 HB2 PHE B 1 10.285 -2.255 -0.914 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.635 -3.331 -2.135 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.157 -5.754 -1.555 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.223 -2.829 1.427 1.00 0.00 H new ATOM 0 HE1 PHE B 1 8.264 -7.238 0.224 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.353 -4.332 3.204 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.363 -6.531 2.604 1.00 0.00 H new ATOM 336 N VAL B 2 11.872 -3.066 -4.155 1.00 0.00 N ATOM 337 CA VAL B 2 12.085 -2.193 -5.331 1.00 0.00 C ATOM 338 C VAL B 2 11.086 -1.030 -5.337 1.00 0.00 C ATOM 339 O VAL B 2 9.919 -1.207 -4.978 1.00 0.00 O ATOM 340 CB VAL B 2 12.061 -2.990 -6.664 1.00 0.00 C ATOM 341 CG1 VAL B 2 10.682 -3.580 -7.010 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.563 -2.148 -7.848 1.00 0.00 C ATOM 0 H VAL B 2 11.512 -3.991 -4.390 1.00 0.00 H new ATOM 0 HA VAL B 2 13.085 -1.768 -5.248 1.00 0.00 H new ATOM 0 HB VAL B 2 12.743 -3.824 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.745 -4.122 -7.954 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.370 -4.262 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL B 2 9.954 -2.774 -7.102 1.00 0.00 H new ATOM 0 HG21 VAL B 2 12.529 -2.745 -8.759 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.928 -1.270 -7.965 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.589 -1.831 -7.660 1.00 0.00 H new ATOM 352 N ASN B 3 11.557 0.158 -5.731 1.00 0.00 N ATOM 353 CA ASN B 3 10.756 1.378 -5.890 1.00 0.00 C ATOM 354 C ASN B 3 10.747 1.855 -7.355 1.00 0.00 C ATOM 355 O ASN B 3 11.750 1.730 -8.064 1.00 0.00 O ATOM 356 CB ASN B 3 11.283 2.497 -4.979 1.00 0.00 C ATOM 357 CG ASN B 3 10.920 2.316 -3.507 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.110 3.054 -2.967 1.00 0.00 O ATOM 359 ND2 ASN B 3 11.502 1.350 -2.818 1.00 0.00 N ATOM 0 H ASN B 3 12.541 0.302 -5.956 1.00 0.00 H new ATOM 0 HA ASN B 3 9.733 1.138 -5.601 1.00 0.00 H new ATOM 0 HB2 ASN B 3 12.368 2.548 -5.072 1.00 0.00 H new ATOM 0 HB3 ASN B 3 10.888 3.452 -5.326 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.275 1.219 -1.832 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.178 0.736 -3.272 1.00 0.00 H new ATOM 366 N GLN B 4 9.620 2.415 -7.803 1.00 0.00 N ATOM 367 CA GLN B 4 9.390 2.826 -9.194 1.00 0.00 C ATOM 368 C GLN B 4 8.500 4.079 -9.270 1.00 0.00 C ATOM 369 O GLN B 4 7.707 4.342 -8.366 1.00 0.00 O ATOM 370 CB GLN B 4 8.703 1.671 -9.960 1.00 0.00 C ATOM 371 CG GLN B 4 9.566 0.406 -10.117 1.00 0.00 C ATOM 372 CD GLN B 4 8.870 -0.652 -10.976 1.00 0.00 C ATOM 373 OE1 GLN B 4 8.345 -1.644 -10.488 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.824 -0.487 -12.282 1.00 0.00 N ATOM 0 H GLN B 4 8.822 2.600 -7.195 1.00 0.00 H new ATOM 0 HA GLN B 4 10.355 3.063 -9.643 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.782 1.405 -9.441 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.419 2.027 -10.950 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.521 0.671 -10.570 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.784 -0.010 -9.133 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.256 0.333 -12.708 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.357 -1.179 -12.867 1.00 0.00 H new ATOM 383 N HIS B 5 8.580 4.822 -10.380 1.00 0.00 N ATOM 384 CA HIS B 5 7.506 5.725 -10.811 1.00 0.00 C ATOM 385 C HIS B 5 6.415 4.882 -11.492 1.00 0.00 C ATOM 386 O HIS B 5 6.697 4.139 -12.439 1.00 0.00 O ATOM 387 CB HIS B 5 8.027 6.768 -11.816 1.00 0.00 C ATOM 388 CG HIS B 5 8.853 7.883 -11.229 1.00 0.00 C ATOM 389 ND1 HIS B 5 8.367 9.041 -10.667 1.00 0.00 N ATOM 390 CD2 HIS B 5 10.217 7.999 -11.269 1.00 0.00 C ATOM 391 CE1 HIS B 5 9.411 9.827 -10.359 1.00 0.00 C ATOM 392 NE2 HIS B 5 10.569 9.237 -10.707 1.00 0.00 N ATOM 0 H HIS B 5 9.388 4.815 -11.003 1.00 0.00 H new ATOM 0 HA HIS B 5 7.115 6.252 -9.941 1.00 0.00 H new ATOM 0 HB2 HIS B 5 8.626 6.254 -12.568 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.173 7.206 -12.333 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.384 9.264 -10.511 1.00 0.00 H new ATOM 0 HD2 HIS B 5 10.904 7.265 -11.664 1.00 0.00 H new ATOM 0 HE1 HIS B 5 9.332 10.799 -9.896 1.00 0.00 H new ATOM 400 N LEU B 6 5.170 5.003 -11.028 1.00 0.00 N ATOM 401 CA LEU B 6 4.017 4.226 -11.491 1.00 0.00 C ATOM 402 C LEU B 6 2.797 5.147 -11.629 1.00 0.00 C ATOM 403 O LEU B 6 2.375 5.777 -10.661 1.00 0.00 O ATOM 404 CB LEU B 6 3.758 3.087 -10.485 1.00 0.00 C ATOM 405 CG LEU B 6 4.834 1.980 -10.449 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.543 1.042 -9.271 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.872 1.159 -11.745 1.00 0.00 C ATOM 0 H LEU B 6 4.927 5.668 -10.294 1.00 0.00 H new ATOM 0 HA LEU B 6 4.213 3.790 -12.470 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.671 3.518 -9.488 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.797 2.629 -10.719 1.00 0.00 H new ATOM 0 HG LEU B 6 5.804 2.464 -10.337 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.298 0.256 -9.237 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.567 1.609 -8.340 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.558 0.594 -9.398 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.645 0.394 -11.669 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.904 0.683 -11.902 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.094 1.816 -12.586 1.00 0.00 H new ATOM 419 N CYS B 7 2.227 5.223 -12.832 1.00 0.00 N ATOM 420 CA CYS B 7 1.133 6.129 -13.191 1.00 0.00 C ATOM 421 C CYS B 7 -0.017 5.354 -13.851 1.00 0.00 C ATOM 422 O CYS B 7 0.216 4.482 -14.693 1.00 0.00 O ATOM 423 CB CYS B 7 1.658 7.178 -14.185 1.00 0.00 C ATOM 424 SG CYS B 7 3.110 8.146 -13.669 1.00 0.00 S ATOM 0 H CYS B 7 2.524 4.635 -13.611 1.00 0.00 H new ATOM 0 HA CYS B 7 0.763 6.609 -12.285 1.00 0.00 H new ATOM 0 HB2 CYS B 7 1.903 6.669 -15.117 1.00 0.00 H new ATOM 0 HB3 CYS B 7 0.847 7.873 -14.405 1.00 0.00 H new ATOM 429 N GLY B 8 -1.259 5.692 -13.494 1.00 0.00 N ATOM 430 CA GLY B 8 -2.481 5.262 -14.195 1.00 0.00 C ATOM 431 C GLY B 8 -2.571 3.747 -14.390 1.00 0.00 C ATOM 432 O GLY B 8 -2.532 2.976 -13.431 1.00 0.00 O ATOM 0 H GLY B 8 -1.452 6.288 -12.689 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.351 5.600 -13.633 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -2.522 5.749 -15.169 1.00 0.00 H new ATOM 436 N SER B 9 -2.674 3.315 -15.642 1.00 0.00 N ATOM 437 CA SER B 9 -2.776 1.904 -16.036 1.00 0.00 C ATOM 438 C SER B 9 -1.546 1.072 -15.640 1.00 0.00 C ATOM 439 O SER B 9 -1.682 -0.096 -15.279 1.00 0.00 O ATOM 440 CB SER B 9 -3.016 1.812 -17.551 1.00 0.00 C ATOM 441 OG SER B 9 -2.046 2.558 -18.277 1.00 0.00 O ATOM 0 H SER B 9 -2.690 3.952 -16.439 1.00 0.00 H new ATOM 0 HA SER B 9 -3.620 1.479 -15.492 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.983 0.768 -17.863 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.013 2.183 -17.786 1.00 0.00 H new ATOM 0 HG SER B 9 -2.224 2.479 -19.237 1.00 0.00 H new ATOM 447 N HIS B 10 -0.349 1.663 -15.613 1.00 0.00 N ATOM 448 CA HIS B 10 0.866 0.991 -15.143 1.00 0.00 C ATOM 449 C HIS B 10 0.827 0.757 -13.621 1.00 0.00 C ATOM 450 O HIS B 10 1.237 -0.306 -13.143 1.00 0.00 O ATOM 451 CB HIS B 10 2.104 1.805 -15.544 1.00 0.00 C ATOM 452 CG HIS B 10 2.239 2.033 -17.029 1.00 0.00 C ATOM 453 ND1 HIS B 10 2.753 1.146 -17.951 1.00 0.00 N ATOM 454 CD2 HIS B 10 1.885 3.164 -17.714 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.714 1.732 -19.159 1.00 0.00 C ATOM 456 NE2 HIS B 10 2.196 2.972 -19.069 1.00 0.00 N ATOM 0 H HIS B 10 -0.194 2.624 -15.917 1.00 0.00 H new ATOM 0 HA HIS B 10 0.922 0.012 -15.618 1.00 0.00 H new ATOM 0 HB2 HIS B 10 2.068 2.771 -15.041 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.995 1.291 -15.184 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.443 4.051 -17.286 1.00 0.00 H new ATOM 0 HE1 HIS B 10 3.052 1.272 -20.076 1.00 0.00 H new ATOM 0 HE2 HIS B 10 2.058 3.636 -19.831 1.00 0.00 H new ATOM 464 N LEU B 11 0.277 1.713 -12.854 1.00 0.00 N ATOM 465 CA LEU B 11 0.026 1.540 -11.420 1.00 0.00 C ATOM 466 C LEU B 11 -1.073 0.501 -11.177 1.00 0.00 C ATOM 467 O LEU B 11 -0.889 -0.358 -10.323 1.00 0.00 O ATOM 468 CB LEU B 11 -0.265 2.904 -10.764 1.00 0.00 C ATOM 469 CG LEU B 11 -0.379 2.795 -9.226 1.00 0.00 C ATOM 470 CD1 LEU B 11 0.292 3.993 -8.544 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.842 2.717 -8.773 1.00 0.00 C ATOM 0 H LEU B 11 -0.005 2.625 -13.213 1.00 0.00 H new ATOM 0 HA LEU B 11 0.921 1.145 -10.940 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.529 3.606 -11.020 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.192 3.310 -11.168 1.00 0.00 H new ATOM 0 HG LEU B 11 0.129 1.876 -8.934 1.00 0.00 H new ATOM 0 HD11 LEU B 11 0.199 3.895 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU B 11 1.347 4.023 -8.817 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.193 4.914 -8.867 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.883 2.641 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.371 3.614 -9.094 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.314 1.840 -9.216 1.00 0.00 H new ATOM 483 N VAL B 12 -2.172 0.529 -11.940 1.00 0.00 N ATOM 484 CA VAL B 12 -3.228 -0.505 -11.882 1.00 0.00 C ATOM 485 C VAL B 12 -2.650 -1.904 -12.126 1.00 0.00 C ATOM 486 O VAL B 12 -2.961 -2.824 -11.375 1.00 0.00 O ATOM 487 CB VAL B 12 -4.388 -0.241 -12.875 1.00 0.00 C ATOM 488 CG1 VAL B 12 -5.377 -1.416 -13.000 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.201 0.994 -12.461 1.00 0.00 C ATOM 0 H VAL B 12 -2.360 1.268 -12.618 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.639 -0.453 -10.874 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.898 -0.092 -13.837 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.161 -1.158 -13.712 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.847 -2.302 -13.349 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -5.824 -1.621 -12.027 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -6.008 1.155 -13.176 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.622 0.836 -11.468 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.551 1.869 -12.445 1.00 0.00 H new ATOM 499 N GLU B 13 -1.792 -2.062 -13.139 1.00 0.00 N ATOM 500 CA GLU B 13 -1.136 -3.333 -13.454 1.00 0.00 C ATOM 501 C GLU B 13 -0.220 -3.789 -12.304 1.00 0.00 C ATOM 502 O GLU B 13 -0.301 -4.938 -11.867 1.00 0.00 O ATOM 503 CB GLU B 13 -0.346 -3.182 -14.769 1.00 0.00 C ATOM 504 CG GLU B 13 0.152 -4.511 -15.354 1.00 0.00 C ATOM 505 CD GLU B 13 -0.988 -5.331 -15.979 1.00 0.00 C ATOM 506 OE1 GLU B 13 -1.366 -5.052 -17.142 1.00 0.00 O ATOM 507 OE2 GLU B 13 -1.504 -6.262 -15.319 1.00 0.00 O ATOM 0 H GLU B 13 -1.532 -1.303 -13.769 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.896 -4.104 -13.580 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.978 -2.687 -15.506 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.510 -2.530 -14.594 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.911 -4.312 -16.110 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.630 -5.096 -14.568 1.00 0.00 H new ATOM 514 N ALA B 14 0.614 -2.892 -11.767 1.00 0.00 N ATOM 515 CA ALA B 14 1.514 -3.201 -10.655 1.00 0.00 C ATOM 516 C ALA B 14 0.740 -3.594 -9.386 1.00 0.00 C ATOM 517 O ALA B 14 1.019 -4.629 -8.780 1.00 0.00 O ATOM 518 CB ALA B 14 2.431 -1.994 -10.422 1.00 0.00 C ATOM 0 H ALA B 14 0.683 -1.928 -12.094 1.00 0.00 H new ATOM 0 HA ALA B 14 2.122 -4.069 -10.909 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.109 -2.207 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.009 -1.797 -11.325 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.827 -1.120 -10.180 1.00 0.00 H new ATOM 524 N LEU B 15 -0.271 -2.811 -9.010 1.00 0.00 N ATOM 525 CA LEU B 15 -1.133 -3.040 -7.851 1.00 0.00 C ATOM 526 C LEU B 15 -1.871 -4.380 -7.967 1.00 0.00 C ATOM 527 O LEU B 15 -1.830 -5.183 -7.041 1.00 0.00 O ATOM 528 CB LEU B 15 -2.081 -1.831 -7.744 1.00 0.00 C ATOM 529 CG LEU B 15 -3.018 -1.810 -6.523 1.00 0.00 C ATOM 530 CD1 LEU B 15 -2.275 -1.850 -5.181 1.00 0.00 C ATOM 531 CD2 LEU B 15 -3.865 -0.531 -6.595 1.00 0.00 C ATOM 0 H LEU B 15 -0.522 -1.967 -9.525 1.00 0.00 H new ATOM 0 HA LEU B 15 -0.550 -3.118 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -1.478 -0.923 -7.729 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -2.692 -1.794 -8.646 1.00 0.00 H new ATOM 0 HG LEU B 15 -3.632 -2.710 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.997 -1.833 -4.365 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.681 -2.762 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.618 -0.984 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.539 -0.492 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.210 0.340 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.448 -0.532 -7.516 1.00 0.00 H new ATOM 543 N TYR B 16 -2.458 -4.676 -9.126 1.00 0.00 N ATOM 544 CA TYR B 16 -3.074 -5.976 -9.412 1.00 0.00 C ATOM 545 C TYR B 16 -2.093 -7.152 -9.264 1.00 0.00 C ATOM 546 O TYR B 16 -2.440 -8.174 -8.674 1.00 0.00 O ATOM 547 CB TYR B 16 -3.675 -5.953 -10.826 1.00 0.00 C ATOM 548 CG TYR B 16 -4.224 -7.295 -11.277 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.373 -7.834 -10.662 1.00 0.00 C ATOM 550 CD2 TYR B 16 -3.562 -8.028 -12.281 1.00 0.00 C ATOM 551 CE1 TYR B 16 -5.857 -9.100 -11.046 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.044 -9.292 -12.672 1.00 0.00 C ATOM 553 CZ TYR B 16 -5.191 -9.835 -12.054 1.00 0.00 C ATOM 554 OH TYR B 16 -5.651 -11.062 -12.431 1.00 0.00 O ATOM 0 H TYR B 16 -2.521 -4.016 -9.901 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.858 -6.137 -8.672 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.475 -5.213 -10.859 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.910 -5.628 -11.531 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.884 -7.274 -9.893 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.681 -7.619 -12.753 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.736 -9.509 -10.571 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.535 -9.847 -13.446 1.00 0.00 H new ATOM 0 HH TYR B 16 -5.075 -11.425 -13.136 1.00 0.00 H new ATOM 564 N LEU B 17 -0.856 -7.010 -9.753 1.00 0.00 N ATOM 565 CA LEU B 17 0.177 -8.057 -9.683 1.00 0.00 C ATOM 566 C LEU B 17 0.769 -8.216 -8.273 1.00 0.00 C ATOM 567 O LEU B 17 1.089 -9.335 -7.876 1.00 0.00 O ATOM 568 CB LEU B 17 1.277 -7.770 -10.727 1.00 0.00 C ATOM 569 CG LEU B 17 0.847 -7.996 -12.194 1.00 0.00 C ATOM 570 CD1 LEU B 17 1.957 -7.482 -13.127 1.00 0.00 C ATOM 571 CD2 LEU B 17 0.571 -9.478 -12.502 1.00 0.00 C ATOM 0 H LEU B 17 -0.538 -6.157 -10.214 1.00 0.00 H new ATOM 0 HA LEU B 17 -0.299 -9.010 -9.915 1.00 0.00 H new ATOM 0 HB2 LEU B 17 1.606 -6.737 -10.614 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.137 -8.404 -10.513 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.082 -7.449 -12.356 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.661 -7.638 -14.165 1.00 0.00 H new ATOM 0 HD12 LEU B 17 2.117 -6.418 -12.951 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.881 -8.025 -12.927 1.00 0.00 H new ATOM 0 HD21 LEU B 17 0.272 -9.583 -13.545 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.474 -10.061 -12.322 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -0.229 -9.841 -11.857 1.00 0.00 H new ATOM 583 N VAL B 18 0.861 -7.133 -7.499 1.00 0.00 N ATOM 584 CA VAL B 18 1.236 -7.161 -6.071 1.00 0.00 C ATOM 585 C VAL B 18 0.159 -7.873 -5.249 1.00 0.00 C ATOM 586 O VAL B 18 0.476 -8.737 -4.434 1.00 0.00 O ATOM 587 CB VAL B 18 1.486 -5.731 -5.531 1.00 0.00 C ATOM 588 CG1 VAL B 18 1.508 -5.645 -3.997 1.00 0.00 C ATOM 589 CG2 VAL B 18 2.837 -5.208 -6.044 1.00 0.00 C ATOM 0 H VAL B 18 0.675 -6.192 -7.846 1.00 0.00 H new ATOM 0 HA VAL B 18 2.167 -7.719 -5.976 1.00 0.00 H new ATOM 0 HB VAL B 18 0.651 -5.130 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL B 18 1.688 -4.614 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL B 18 0.549 -5.978 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.303 -6.282 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.007 -4.202 -5.661 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.636 -5.866 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL B 18 2.828 -5.184 -7.134 1.00 0.00 H new ATOM 599 N CYS B 19 -1.116 -7.533 -5.466 1.00 0.00 N ATOM 600 CA CYS B 19 -2.217 -8.061 -4.653 1.00 0.00 C ATOM 601 C CYS B 19 -2.661 -9.471 -5.061 1.00 0.00 C ATOM 602 O CYS B 19 -3.073 -10.249 -4.197 1.00 0.00 O ATOM 603 CB CYS B 19 -3.394 -7.079 -4.684 1.00 0.00 C ATOM 604 SG CYS B 19 -3.001 -5.444 -4.007 1.00 0.00 S ATOM 0 H CYS B 19 -1.412 -6.891 -6.202 1.00 0.00 H new ATOM 0 HA CYS B 19 -1.845 -8.159 -3.633 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -3.732 -6.964 -5.714 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -4.225 -7.505 -4.122 1.00 0.00 H new ATOM 609 N GLY B 20 -2.577 -9.816 -6.347 1.00 0.00 N ATOM 610 CA GLY B 20 -3.036 -11.100 -6.887 1.00 0.00 C ATOM 611 C GLY B 20 -4.549 -11.260 -6.739 1.00 0.00 C ATOM 612 O GLY B 20 -5.309 -10.328 -7.008 1.00 0.00 O ATOM 0 H GLY B 20 -2.181 -9.200 -7.057 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -2.763 -11.172 -7.940 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -2.530 -11.915 -6.370 1.00 0.00 H new ATOM 616 N GLU B 21 -4.988 -12.430 -6.275 1.00 0.00 N ATOM 617 CA GLU B 21 -6.405 -12.761 -6.056 1.00 0.00 C ATOM 618 C GLU B 21 -7.059 -11.981 -4.894 1.00 0.00 C ATOM 619 O GLU B 21 -8.287 -11.986 -4.778 1.00 0.00 O ATOM 620 CB GLU B 21 -6.558 -14.276 -5.828 1.00 0.00 C ATOM 621 CG GLU B 21 -6.159 -15.112 -7.053 1.00 0.00 C ATOM 622 CD GLU B 21 -6.432 -16.605 -6.808 1.00 0.00 C ATOM 623 OE1 GLU B 21 -5.575 -17.294 -6.206 1.00 0.00 O ATOM 624 OE2 GLU B 21 -7.503 -17.108 -7.225 1.00 0.00 O ATOM 0 H GLU B 21 -4.358 -13.195 -6.034 1.00 0.00 H new ATOM 0 HA GLU B 21 -6.934 -12.456 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -5.945 -14.573 -4.977 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -7.593 -14.496 -5.567 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -6.717 -14.774 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -5.102 -14.962 -7.272 1.00 0.00 H new ATOM 631 N ARG B 22 -6.275 -11.289 -4.050 1.00 0.00 N ATOM 632 CA ARG B 22 -6.778 -10.504 -2.909 1.00 0.00 C ATOM 633 C ARG B 22 -7.639 -9.302 -3.337 1.00 0.00 C ATOM 634 O ARG B 22 -8.563 -8.929 -2.609 1.00 0.00 O ATOM 635 CB ARG B 22 -5.599 -10.012 -2.045 1.00 0.00 C ATOM 636 CG ARG B 22 -4.828 -11.163 -1.378 1.00 0.00 C ATOM 637 CD ARG B 22 -3.652 -10.661 -0.528 1.00 0.00 C ATOM 638 NE ARG B 22 -2.505 -10.240 -1.355 1.00 0.00 N ATOM 639 CZ ARG B 22 -1.344 -9.778 -0.897 1.00 0.00 C ATOM 640 NH1 ARG B 22 -1.112 -9.560 0.380 1.00 0.00 N ATOM 641 NH2 ARG B 22 -0.343 -9.517 -1.704 1.00 0.00 N ATOM 0 H ARG B 22 -5.260 -11.259 -4.142 1.00 0.00 H new ATOM 0 HA ARG B 22 -7.419 -11.170 -2.331 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -4.915 -9.435 -2.667 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -5.975 -9.338 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -5.509 -11.737 -0.749 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.455 -11.841 -2.146 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -3.982 -9.823 0.086 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -3.336 -11.451 0.154 1.00 0.00 H new ATOM 0 HE ARG B 22 -2.611 -10.309 -2.367 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -1.840 -9.746 1.070 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -0.204 -9.205 0.680 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -0.445 -9.667 -2.708 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.537 -9.164 -1.328 1.00 0.00 H new ATOM 655 N GLY B 23 -7.340 -8.695 -4.495 1.00 0.00 N ATOM 656 CA GLY B 23 -7.942 -7.432 -4.955 1.00 0.00 C ATOM 657 C GLY B 23 -7.318 -6.203 -4.285 1.00 0.00 C ATOM 658 O GLY B 23 -6.418 -6.325 -3.456 1.00 0.00 O ATOM 0 H GLY B 23 -6.659 -9.075 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -7.825 -7.351 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -9.013 -7.448 -4.750 1.00 0.00 H new ATOM 662 N PHE B 24 -7.801 -5.011 -4.640 1.00 0.00 N ATOM 663 CA PHE B 24 -7.244 -3.732 -4.183 1.00 0.00 C ATOM 664 C PHE B 24 -8.268 -2.591 -4.119 1.00 0.00 C ATOM 665 O PHE B 24 -9.316 -2.627 -4.769 1.00 0.00 O ATOM 666 CB PHE B 24 -6.057 -3.350 -5.084 1.00 0.00 C ATOM 667 CG PHE B 24 -6.396 -3.203 -6.557 1.00 0.00 C ATOM 668 CD1 PHE B 24 -6.886 -1.980 -7.059 1.00 0.00 C ATOM 669 CD2 PHE B 24 -6.193 -4.284 -7.434 1.00 0.00 C ATOM 670 CE1 PHE B 24 -7.183 -1.848 -8.430 1.00 0.00 C ATOM 671 CE2 PHE B 24 -6.498 -4.154 -8.798 1.00 0.00 C ATOM 672 CZ PHE B 24 -6.987 -2.935 -9.298 1.00 0.00 C ATOM 0 H PHE B 24 -8.602 -4.903 -5.262 1.00 0.00 H new ATOM 0 HA PHE B 24 -6.913 -3.877 -3.155 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.636 -2.410 -4.727 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -5.280 -4.108 -4.978 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.034 -1.144 -6.392 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -5.801 -5.217 -7.057 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.561 -0.912 -8.813 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.357 -4.992 -9.464 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.212 -2.834 -10.349 1.00 0.00 H new ATOM 682 N PHE B 25 -7.912 -1.551 -3.363 1.00 0.00 N ATOM 683 CA PHE B 25 -8.573 -0.249 -3.335 1.00 0.00 C ATOM 684 C PHE B 25 -7.707 0.774 -4.086 1.00 0.00 C ATOM 685 O PHE B 25 -6.521 0.925 -3.791 1.00 0.00 O ATOM 686 CB PHE B 25 -8.790 0.157 -1.872 1.00 0.00 C ATOM 687 CG PHE B 25 -9.524 1.472 -1.705 1.00 0.00 C ATOM 688 CD1 PHE B 25 -10.929 1.509 -1.799 1.00 0.00 C ATOM 689 CD2 PHE B 25 -8.810 2.664 -1.469 1.00 0.00 C ATOM 690 CE1 PHE B 25 -11.615 2.722 -1.623 1.00 0.00 C ATOM 691 CE2 PHE B 25 -9.499 3.877 -1.298 1.00 0.00 C ATOM 692 CZ PHE B 25 -10.902 3.907 -1.368 1.00 0.00 C ATOM 0 H PHE B 25 -7.118 -1.598 -2.725 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.543 -0.292 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.351 -0.629 -1.366 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.822 0.227 -1.376 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.480 0.603 -2.007 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -7.731 2.645 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -12.693 2.745 -1.684 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.949 4.788 -1.112 1.00 0.00 H new ATOM 0 HZ PHE B 25 -11.431 4.838 -1.226 1.00 0.00 H new ATOM 702 N TYR B 26 -8.281 1.464 -5.074 1.00 0.00 N ATOM 703 CA TYR B 26 -7.524 2.319 -6.008 1.00 0.00 C ATOM 704 C TYR B 26 -7.547 3.823 -5.676 1.00 0.00 C ATOM 705 O TYR B 26 -6.587 4.532 -5.986 1.00 0.00 O ATOM 706 CB TYR B 26 -8.103 2.083 -7.411 1.00 0.00 C ATOM 707 CG TYR B 26 -7.359 2.797 -8.525 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.041 2.416 -8.839 1.00 0.00 C ATOM 709 CD2 TYR B 26 -7.976 3.834 -9.250 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.346 3.063 -9.879 1.00 0.00 C ATOM 711 CE2 TYR B 26 -7.289 4.480 -10.295 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.971 4.091 -10.617 1.00 0.00 C ATOM 713 OH TYR B 26 -5.311 4.701 -11.644 1.00 0.00 O ATOM 0 H TYR B 26 -9.285 1.450 -5.254 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.474 2.037 -5.933 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -8.100 1.013 -7.617 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -9.144 2.406 -7.420 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -5.561 1.625 -8.281 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -8.983 4.136 -9.003 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.332 2.772 -10.112 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.770 5.272 -10.850 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.888 5.384 -12.044 1.00 0.00 H new ATOM 723 N THR B 27 -8.649 4.321 -5.096 1.00 0.00 N ATOM 724 CA THR B 27 -8.993 5.756 -5.045 1.00 0.00 C ATOM 725 C THR B 27 -7.922 6.570 -4.294 1.00 0.00 C ATOM 726 O THR B 27 -7.642 6.249 -3.136 1.00 0.00 O ATOM 727 CB THR B 27 -10.369 5.946 -4.400 1.00 0.00 C ATOM 728 OG1 THR B 27 -11.287 5.090 -5.047 1.00 0.00 O ATOM 729 CG2 THR B 27 -10.882 7.380 -4.555 1.00 0.00 C ATOM 0 H THR B 27 -9.342 3.728 -4.639 1.00 0.00 H new ATOM 0 HA THR B 27 -9.028 6.130 -6.068 1.00 0.00 H new ATOM 0 HB THR B 27 -10.275 5.722 -3.337 1.00 0.00 H new ATOM 0 HG1 THR B 27 -12.174 5.198 -4.645 1.00 0.00 H new ATOM 0 HG21 THR B 27 -11.860 7.469 -4.083 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.185 8.069 -4.078 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.966 7.624 -5.614 1.00 0.00 H new ATOM 737 N PRO B 28 -7.326 7.611 -4.916 1.00 0.00 N ATOM 738 CA PRO B 28 -6.293 8.434 -4.292 1.00 0.00 C ATOM 739 C PRO B 28 -6.895 9.519 -3.389 1.00 0.00 C ATOM 740 O PRO B 28 -8.098 9.786 -3.407 1.00 0.00 O ATOM 741 CB PRO B 28 -5.526 9.053 -5.465 1.00 0.00 C ATOM 742 CG PRO B 28 -6.619 9.241 -6.515 1.00 0.00 C ATOM 743 CD PRO B 28 -7.505 8.014 -6.306 1.00 0.00 C ATOM 0 HA PRO B 28 -5.648 7.844 -3.641 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.060 10.000 -5.191 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -4.731 8.398 -5.820 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.171 10.169 -6.363 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -6.209 9.276 -7.524 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.549 8.249 -6.511 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -7.221 7.209 -6.984 1.00 0.00 H new ATOM 751 N LYS B 29 -6.024 10.199 -2.640 1.00 0.00 N ATOM 752 CA LYS B 29 -6.351 11.430 -1.914 1.00 0.00 C ATOM 753 C LYS B 29 -6.849 12.554 -2.860 1.00 0.00 C ATOM 754 O LYS B 29 -6.240 12.801 -3.906 1.00 0.00 O ATOM 755 CB LYS B 29 -5.115 11.853 -1.093 1.00 0.00 C ATOM 756 CG LYS B 29 -5.376 13.101 -0.233 1.00 0.00 C ATOM 757 CD LYS B 29 -4.168 13.414 0.662 1.00 0.00 C ATOM 758 CE LYS B 29 -4.349 14.716 1.462 1.00 0.00 C ATOM 759 NZ LYS B 29 -5.389 14.608 2.517 1.00 0.00 N ATOM 0 H LYS B 29 -5.055 9.905 -2.518 1.00 0.00 H new ATOM 0 HA LYS B 29 -7.183 11.242 -1.236 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -4.812 11.028 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -4.284 12.050 -1.770 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -5.586 13.954 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -6.260 12.943 0.385 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -4.008 12.586 1.353 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -3.273 13.492 0.045 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -3.399 14.988 1.922 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -4.615 15.522 0.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -5.467 15.514 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -6.304 14.376 2.080 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -5.126 13.859 3.188 1.00 0.00 H new ATOM 773 N THR B 30 -7.946 13.218 -2.452 1.00 0.00 N ATOM 774 CA THR B 30 -8.632 14.376 -3.089 1.00 0.00 C ATOM 775 C THR B 30 -9.585 13.929 -4.201 1.00 0.00 C ATOM 776 O THR B 30 -10.810 13.925 -3.947 1.00 0.00 O ATOM 777 CB THR B 30 -7.674 15.474 -3.587 1.00 0.00 C ATOM 778 OG1 THR B 30 -6.822 15.847 -2.522 1.00 0.00 O ATOM 779 CG2 THR B 30 -8.423 16.734 -4.027 1.00 0.00 C ATOM 780 OXT THR B 30 -9.127 13.569 -5.307 1.00 0.00 O ATOM 0 H THR B 30 -8.423 12.940 -1.594 1.00 0.00 H new ATOM 0 HA THR B 30 -9.221 14.832 -2.293 1.00 0.00 H new ATOM 0 HB THR B 30 -7.125 15.071 -4.438 1.00 0.00 H new ATOM 0 HG1 THR B 30 -6.205 16.545 -2.826 1.00 0.00 H new ATOM 0 HG21 THR B 30 -7.708 17.481 -4.370 1.00 0.00 H new ATOM 0 HG22 THR B 30 -9.107 16.486 -4.839 1.00 0.00 H new ATOM 0 HG23 THR B 30 -8.989 17.133 -3.185 1.00 0.00 H new TER 788 THR B 30