USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 380 hydrogens (5 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 NoAdj-H: B 8 DAL H2 : B 8 DAL N : B 7 CYS C :(H bumps) USER MOD Set 1.1: B 1 PHE N :NH3+ -156:sc= 0.475 (180deg=0.271) USER MOD Set 1.2: B 4 GLN : amide:sc= -4.44! C(o=-4!,f=-3.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.729 X(o=-0.73,f=-1) USER MOD Single : A 18 ASN : amide:sc= 0.0378 X(o=0.038,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -1.93! USER MOD Single : A 21 ASN :FLIP amide:sc=-0.00741 F(o=-1.4,f=-0.0074) USER MOD Single : B 3 ASN :FLIP amide:sc= -0.666 F(o=-1.8!,f=-0.67) USER MOD Single : B 5 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-2.2!) USER MOD Single : B 9 SER OG : rot 180:sc= -0.263 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= 0.0543 USER MOD Single : B 28 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 -7.412 5.342 3.254 1.00 0.00 N ATOM 2 CA GLY A 1 -6.792 6.295 2.235 1.00 0.00 C ATOM 3 C GLY A 1 -5.531 5.908 1.540 1.00 0.00 C ATOM 4 O GLY A 1 -4.711 6.741 1.211 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.280 5.764 3.640 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.642 4.440 2.790 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.736 5.172 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.542 6.486 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.608 7.242 2.743 1.00 0.00 H new ATOM 10 N ILE A 2 -5.341 4.639 1.297 1.00 0.00 N ATOM 11 CA ILE A 2 -4.101 4.193 0.603 1.00 0.00 C ATOM 12 C ILE A 2 -4.064 4.781 -0.807 1.00 0.00 C ATOM 13 O ILE A 2 -3.072 5.339 -1.232 1.00 0.00 O ATOM 14 CB ILE A 2 -4.079 2.668 0.513 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.862 2.226 -0.304 1.00 0.00 C ATOM 16 CG2 ILE A 2 -5.354 2.182 -0.175 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.992 0.743 -0.656 1.00 0.00 C ATOM 0 H ILE A 2 -5.990 3.894 1.549 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.233 4.536 1.166 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.021 2.244 1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.787 2.821 -1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.948 2.396 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.340 1.094 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -6.223 2.500 0.402 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -5.410 2.605 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.125 0.430 -1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -3.046 0.155 0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.898 0.586 -1.242 1.00 0.00 H new ATOM 29 N VAL A 3 -5.137 4.660 -1.539 1.00 0.00 N ATOM 30 CA VAL A 3 -5.158 5.209 -2.922 1.00 0.00 C ATOM 31 C VAL A 3 -4.899 6.716 -2.875 1.00 0.00 C ATOM 32 O VAL A 3 -4.368 7.293 -3.801 1.00 0.00 O ATOM 33 CB VAL A 3 -6.524 4.944 -3.558 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.617 5.680 -4.895 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.693 3.442 -3.792 1.00 0.00 C ATOM 0 H VAL A 3 -5.999 4.205 -1.239 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.383 4.725 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.310 5.301 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.590 5.491 -5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.495 6.751 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.832 5.324 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.666 3.252 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.907 3.087 -4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.627 2.916 -2.840 1.00 0.00 H new ATOM 45 N GLU A 4 -5.269 7.359 -1.801 1.00 0.00 N ATOM 46 CA GLU A 4 -5.043 8.828 -1.697 1.00 0.00 C ATOM 47 C GLU A 4 -3.562 9.101 -1.429 1.00 0.00 C ATOM 48 O GLU A 4 -2.799 9.388 -2.330 1.00 0.00 O ATOM 49 CB GLU A 4 -5.877 9.392 -0.544 1.00 0.00 C ATOM 50 CG GLU A 4 -6.969 10.308 -1.100 1.00 0.00 C ATOM 51 CD GLU A 4 -8.209 9.477 -1.437 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.529 8.587 -0.667 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.817 9.745 -2.460 1.00 0.00 O ATOM 0 H GLU A 4 -5.718 6.930 -0.992 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.339 9.306 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.326 8.578 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.238 9.947 0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.221 11.077 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.609 10.821 -1.991 1.00 0.00 H new ATOM 60 N GLN A 5 -3.152 9.013 -0.192 1.00 0.00 N ATOM 61 CA GLN A 5 -1.723 9.268 0.152 1.00 0.00 C ATOM 62 C GLN A 5 -0.800 8.632 -0.892 1.00 0.00 C ATOM 63 O GLN A 5 0.322 9.059 -1.079 1.00 0.00 O ATOM 64 CB GLN A 5 -1.419 8.665 1.525 1.00 0.00 C ATOM 65 CG GLN A 5 -1.514 9.755 2.595 1.00 0.00 C ATOM 66 CD GLN A 5 -0.118 10.056 3.145 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.304 9.467 4.120 1.00 0.00 O ATOM 68 NE2 GLN A 5 0.621 10.955 2.555 1.00 0.00 N ATOM 0 H GLN A 5 -3.749 8.774 0.600 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.551 10.344 0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.123 7.862 1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.422 8.224 1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.951 10.659 2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.172 9.431 3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.266 11.449 1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.553 11.163 2.912 1.00 0.00 H new ATOM 77 N CYS A 6 -1.253 7.616 -1.573 1.00 0.00 N ATOM 78 CA CYS A 6 -0.393 6.962 -2.592 1.00 0.00 C ATOM 79 C CYS A 6 -0.602 7.643 -3.945 1.00 0.00 C ATOM 80 O CYS A 6 0.338 8.073 -4.583 1.00 0.00 O ATOM 81 CB CYS A 6 -0.766 5.481 -2.697 1.00 0.00 C ATOM 82 SG CYS A 6 -0.428 4.638 -1.125 1.00 0.00 S ATOM 0 H CYS A 6 -2.183 7.212 -1.466 1.00 0.00 H new ATOM 0 HA CYS A 6 0.653 7.051 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.821 5.381 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.198 5.011 -3.500 1.00 0.00 H new ATOM 87 N CYS A 7 -1.824 7.741 -4.392 1.00 0.00 N ATOM 88 CA CYS A 7 -2.075 8.391 -5.706 1.00 0.00 C ATOM 89 C CYS A 7 -2.312 9.892 -5.517 1.00 0.00 C ATOM 90 O CYS A 7 -2.975 10.528 -6.311 1.00 0.00 O ATOM 91 CB CYS A 7 -3.304 7.758 -6.366 1.00 0.00 C ATOM 92 SG CYS A 7 -3.534 8.462 -8.019 1.00 0.00 S ATOM 0 H CYS A 7 -2.654 7.401 -3.906 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.203 8.247 -6.344 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.177 6.678 -6.434 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.190 7.937 -5.757 1.00 0.00 H new ATOM 97 N THR A 8 -1.772 10.468 -4.479 1.00 0.00 N ATOM 98 CA THR A 8 -1.969 11.930 -4.258 1.00 0.00 C ATOM 99 C THR A 8 -0.720 12.534 -3.604 1.00 0.00 C ATOM 100 O THR A 8 -0.367 13.669 -3.854 1.00 0.00 O ATOM 101 CB THR A 8 -3.194 12.161 -3.361 1.00 0.00 C ATOM 102 OG1 THR A 8 -3.648 13.497 -3.524 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.828 11.926 -1.892 1.00 0.00 C ATOM 0 H THR A 8 -1.205 9.993 -3.776 1.00 0.00 H new ATOM 0 HA THR A 8 -2.135 12.416 -5.219 1.00 0.00 H new ATOM 0 HB THR A 8 -3.981 11.462 -3.646 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.431 13.648 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.705 12.093 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.481 10.901 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.037 12.617 -1.599 1.00 0.00 H new ATOM 111 N SER A 9 -0.050 11.786 -2.769 1.00 0.00 N ATOM 112 CA SER A 9 1.168 12.323 -2.104 1.00 0.00 C ATOM 113 C SER A 9 2.283 11.275 -2.160 1.00 0.00 C ATOM 114 O SER A 9 3.016 11.188 -3.126 1.00 0.00 O ATOM 115 CB SER A 9 0.844 12.650 -0.645 1.00 0.00 C ATOM 116 OG SER A 9 0.185 13.907 -0.580 1.00 0.00 O ATOM 0 H SER A 9 -0.295 10.828 -2.520 1.00 0.00 H new ATOM 0 HA SER A 9 1.497 13.228 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.211 11.872 -0.218 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.760 12.676 -0.054 1.00 0.00 H new ATOM 0 HG SER A 9 -0.025 14.118 0.354 1.00 0.00 H new ATOM 122 N ILE A 10 2.414 10.477 -1.135 1.00 0.00 N ATOM 123 CA ILE A 10 3.477 9.436 -1.131 1.00 0.00 C ATOM 124 C ILE A 10 3.064 8.308 -0.182 1.00 0.00 C ATOM 125 O ILE A 10 2.151 8.454 0.606 1.00 0.00 O ATOM 126 CB ILE A 10 4.794 10.050 -0.654 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.312 11.033 -1.705 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.828 8.944 -0.440 1.00 0.00 C ATOM 129 CD1 ILE A 10 5.566 10.288 -3.013 1.00 0.00 C ATOM 0 H ILE A 10 1.829 10.502 -0.300 1.00 0.00 H new ATOM 0 HA ILE A 10 3.610 9.041 -2.138 1.00 0.00 H new ATOM 0 HB ILE A 10 4.626 10.577 0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.586 11.830 -1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.232 11.504 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.766 9.383 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.462 8.244 0.311 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.994 8.415 -1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.935 10.987 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 10 6.308 9.506 -2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.636 9.838 -3.362 1.00 0.00 H new ATOM 141 N CYS A 11 3.725 7.185 -0.248 1.00 0.00 N ATOM 142 CA CYS A 11 3.358 6.057 0.655 1.00 0.00 C ATOM 143 C CYS A 11 4.610 5.263 1.025 1.00 0.00 C ATOM 144 O CYS A 11 5.638 5.371 0.387 1.00 0.00 O ATOM 145 CB CYS A 11 2.362 5.138 -0.057 1.00 0.00 C ATOM 146 SG CYS A 11 0.729 5.918 -0.070 1.00 0.00 S ATOM 0 H CYS A 11 4.500 7.000 -0.885 1.00 0.00 H new ATOM 0 HA CYS A 11 2.904 6.455 1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.693 4.945 -1.077 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.313 4.174 0.450 1.00 0.00 H new ATOM 151 N SER A 12 4.532 4.466 2.055 1.00 0.00 N ATOM 152 CA SER A 12 5.716 3.664 2.472 1.00 0.00 C ATOM 153 C SER A 12 5.438 2.180 2.239 1.00 0.00 C ATOM 154 O SER A 12 4.335 1.706 2.428 1.00 0.00 O ATOM 155 CB SER A 12 5.996 3.905 3.956 1.00 0.00 C ATOM 156 OG SER A 12 4.771 3.879 4.676 1.00 0.00 O ATOM 0 H SER A 12 3.697 4.336 2.627 1.00 0.00 H new ATOM 0 HA SER A 12 6.583 3.965 1.884 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.672 3.141 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.491 4.866 4.093 1.00 0.00 H new ATOM 0 HG SER A 12 4.948 4.031 5.628 1.00 0.00 H new ATOM 162 N LEU A 13 6.433 1.446 1.827 1.00 0.00 N ATOM 163 CA LEU A 13 6.233 -0.005 1.575 1.00 0.00 C ATOM 164 C LEU A 13 5.552 -0.646 2.785 1.00 0.00 C ATOM 165 O LEU A 13 4.830 -1.616 2.664 1.00 0.00 O ATOM 166 CB LEU A 13 7.589 -0.673 1.340 1.00 0.00 C ATOM 167 CG LEU A 13 7.500 -1.597 0.126 1.00 0.00 C ATOM 168 CD1 LEU A 13 7.725 -0.785 -1.151 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.571 -2.684 0.236 1.00 0.00 C ATOM 0 H LEU A 13 7.377 1.790 1.654 1.00 0.00 H new ATOM 0 HA LEU A 13 5.605 -0.136 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.356 0.084 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.884 -1.242 2.222 1.00 0.00 H new ATOM 0 HG LEU A 13 6.514 -2.060 0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.662 -1.444 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.963 -0.010 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.711 -0.322 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.509 -3.344 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.557 -2.221 0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.410 -3.262 1.146 1.00 0.00 H new ATOM 181 N TYR A 14 5.781 -0.113 3.954 1.00 0.00 N ATOM 182 CA TYR A 14 5.153 -0.692 5.174 1.00 0.00 C ATOM 183 C TYR A 14 3.632 -0.679 5.025 1.00 0.00 C ATOM 184 O TYR A 14 2.989 -1.710 5.029 1.00 0.00 O ATOM 185 CB TYR A 14 5.557 0.145 6.394 1.00 0.00 C ATOM 186 CG TYR A 14 5.460 -0.692 7.649 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.222 -1.205 8.058 1.00 0.00 C ATOM 188 CD2 TYR A 14 6.612 -0.954 8.407 1.00 0.00 C ATOM 189 CE1 TYR A 14 4.134 -1.981 9.222 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.522 -1.730 9.570 1.00 0.00 C ATOM 191 CZ TYR A 14 5.284 -2.244 9.977 1.00 0.00 C ATOM 192 OH TYR A 14 5.198 -3.009 11.122 1.00 0.00 O ATOM 0 H TYR A 14 6.376 0.699 4.116 1.00 0.00 H new ATOM 0 HA TYR A 14 5.491 -1.720 5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.575 0.515 6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.909 1.018 6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.335 -1.002 7.476 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.567 -0.558 8.094 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.179 -2.376 9.537 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.408 -1.932 10.153 1.00 0.00 H new ATOM 0 HH TYR A 14 6.087 -3.096 11.525 1.00 0.00 H new ATOM 202 N GLN A 15 3.050 0.479 4.893 1.00 0.00 N ATOM 203 CA GLN A 15 1.556 0.537 4.745 1.00 0.00 C ATOM 204 C GLN A 15 1.147 -0.235 3.490 1.00 0.00 C ATOM 205 O GLN A 15 0.104 -0.856 3.444 1.00 0.00 O ATOM 206 CB GLN A 15 1.051 1.992 4.625 1.00 0.00 C ATOM 207 CG GLN A 15 1.292 2.768 5.933 1.00 0.00 C ATOM 208 CD GLN A 15 1.143 1.838 7.141 1.00 0.00 C ATOM 209 OE1 GLN A 15 0.092 1.269 7.358 1.00 0.00 O ATOM 210 NE2 GLN A 15 2.159 1.660 7.941 1.00 0.00 N ATOM 0 H GLN A 15 3.529 1.380 4.880 1.00 0.00 H new ATOM 0 HA GLN A 15 1.111 0.093 5.636 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.562 2.492 3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.013 1.993 4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.290 3.206 5.925 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.582 3.592 6.011 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.042 2.138 7.759 1.00 0.00 H new ATOM 0 HE22 GLN A 15 2.070 1.043 8.748 1.00 0.00 H new ATOM 219 N LEU A 16 1.956 -0.194 2.466 1.00 0.00 N ATOM 220 CA LEU A 16 1.611 -0.910 1.212 1.00 0.00 C ATOM 221 C LEU A 16 1.771 -2.421 1.393 1.00 0.00 C ATOM 222 O LEU A 16 0.979 -3.193 0.892 1.00 0.00 O ATOM 223 CB LEU A 16 2.528 -0.423 0.093 1.00 0.00 C ATOM 224 CG LEU A 16 1.677 0.167 -1.025 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.723 1.214 -0.446 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.583 0.820 -2.072 1.00 0.00 C ATOM 0 H LEU A 16 2.844 0.308 2.447 1.00 0.00 H new ATOM 0 HA LEU A 16 0.572 -0.704 0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.221 0.327 0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.129 -1.249 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 16 1.098 -0.628 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.115 1.635 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.074 0.745 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.299 2.009 0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.972 1.241 -2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.166 1.613 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.257 0.071 -2.488 1.00 0.00 H new ATOM 238 N GLU A 17 2.777 -2.860 2.100 1.00 0.00 N ATOM 239 CA GLU A 17 2.940 -4.328 2.286 1.00 0.00 C ATOM 240 C GLU A 17 1.940 -4.811 3.335 1.00 0.00 C ATOM 241 O GLU A 17 1.750 -5.995 3.530 1.00 0.00 O ATOM 242 CB GLU A 17 4.368 -4.642 2.734 1.00 0.00 C ATOM 243 CG GLU A 17 5.070 -5.481 1.667 1.00 0.00 C ATOM 244 CD GLU A 17 5.185 -6.929 2.149 1.00 0.00 C ATOM 245 OE1 GLU A 17 5.337 -7.125 3.344 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.119 -7.817 1.315 1.00 0.00 O ATOM 0 H GLU A 17 3.482 -2.276 2.550 1.00 0.00 H new ATOM 0 HA GLU A 17 2.753 -4.841 1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.918 -3.716 2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.352 -5.181 3.682 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.511 -5.441 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.061 -5.075 1.463 1.00 0.00 H new ATOM 253 N ASN A 18 1.282 -3.900 4.002 1.00 0.00 N ATOM 254 CA ASN A 18 0.279 -4.309 5.022 1.00 0.00 C ATOM 255 C ASN A 18 -1.011 -4.708 4.305 1.00 0.00 C ATOM 256 O ASN A 18 -1.917 -5.264 4.895 1.00 0.00 O ATOM 257 CB ASN A 18 0.002 -3.139 5.970 1.00 0.00 C ATOM 258 CG ASN A 18 0.690 -3.395 7.313 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.048 -3.420 8.343 1.00 0.00 O ATOM 260 ND2 ASN A 18 1.981 -3.588 7.344 1.00 0.00 N ATOM 0 H ASN A 18 1.397 -2.893 3.883 1.00 0.00 H new ATOM 0 HA ASN A 18 0.658 -5.151 5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.367 -2.209 5.534 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.072 -3.022 6.116 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.450 -3.760 8.233 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.521 -3.567 6.479 1.00 0.00 H new ATOM 267 N TYR A 19 -1.096 -4.434 3.030 1.00 0.00 N ATOM 268 CA TYR A 19 -2.319 -4.801 2.266 1.00 0.00 C ATOM 269 C TYR A 19 -2.204 -6.254 1.805 1.00 0.00 C ATOM 270 O TYR A 19 -3.156 -6.841 1.328 1.00 0.00 O ATOM 271 CB TYR A 19 -2.453 -3.883 1.048 1.00 0.00 C ATOM 272 CG TYR A 19 -3.177 -2.619 1.447 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.558 -1.701 2.306 1.00 0.00 C ATOM 274 CD2 TYR A 19 -4.469 -2.366 0.966 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.230 -0.530 2.683 1.00 0.00 C ATOM 276 CE2 TYR A 19 -5.142 -1.197 1.345 1.00 0.00 C ATOM 277 CZ TYR A 19 -4.523 -0.279 2.203 1.00 0.00 C ATOM 278 OH TYR A 19 -5.187 0.871 2.577 1.00 0.00 O ATOM 0 H TYR A 19 -0.368 -3.971 2.486 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.198 -4.688 2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.467 -3.640 0.652 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.999 -4.392 0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.563 -1.896 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.946 -3.073 0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.752 0.179 3.343 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.138 -1.004 0.976 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.071 0.890 2.155 1.00 0.00 H new ATOM 288 N CYS A 20 -1.046 -6.839 1.944 1.00 0.00 N ATOM 289 CA CYS A 20 -0.871 -8.256 1.513 1.00 0.00 C ATOM 290 C CYS A 20 -2.068 -9.087 1.984 1.00 0.00 C ATOM 291 O CYS A 20 -2.753 -8.731 2.923 1.00 0.00 O ATOM 292 CB CYS A 20 0.409 -8.822 2.134 1.00 0.00 C ATOM 293 SG CYS A 20 1.654 -9.058 0.843 1.00 0.00 S ATOM 0 H CYS A 20 -0.214 -6.398 2.337 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.803 -8.297 0.426 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.786 -8.142 2.898 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.198 -9.771 2.628 1.00 0.00 H new ATOM 298 N ASN A 21 -2.318 -10.195 1.342 1.00 0.00 N ATOM 299 CA ASN A 21 -3.466 -11.054 1.753 1.00 0.00 C ATOM 300 C ASN A 21 -4.737 -10.208 1.848 1.00 0.00 C ATOM 301 O ASN A 21 -5.338 -9.961 0.815 1.00 0.00 O ATOM 302 CB ASN A 21 -3.168 -11.685 3.115 1.00 0.00 C ATOM 303 CG ASN A 21 -2.085 -12.750 2.956 1.00 0.00 C ATOM 304 OD1 ASN A 21 -0.876 -12.383 2.640 1.00 0.00 O flip ATOM 305 ND2 ASN A 21 -2.342 -13.925 3.119 1.00 0.00 N flip ATOM 306 OXT ASN A 21 -5.088 -9.825 2.951 1.00 0.00 O ATOM 0 H ASN A 21 -1.777 -10.543 0.550 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.612 -11.839 1.012 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.840 -10.920 3.818 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.073 -12.130 3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.290 -14.210 3.366 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.610 -14.627 3.009 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 9.715 3.086 -1.048 1.00 0.00 N ATOM 315 CA PHE B 1 11.186 3.131 -0.791 1.00 0.00 C ATOM 316 C PHE B 1 11.721 4.530 -1.117 1.00 0.00 C ATOM 317 O PHE B 1 12.656 5.004 -0.504 1.00 0.00 O ATOM 318 CB PHE B 1 11.918 2.090 -1.657 1.00 0.00 C ATOM 319 CG PHE B 1 10.982 1.502 -2.691 1.00 0.00 C ATOM 320 CD1 PHE B 1 10.668 2.228 -3.848 1.00 0.00 C ATOM 321 CD2 PHE B 1 10.430 0.228 -2.494 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.803 1.682 -4.806 1.00 0.00 C ATOM 323 CE2 PHE B 1 9.566 -0.318 -3.453 1.00 0.00 C ATOM 324 CZ PHE B 1 9.253 0.409 -4.609 1.00 0.00 C ATOM 0 H1 PHE B 1 9.285 2.332 -0.475 1.00 0.00 H new ATOM 0 H2 PHE B 1 9.290 4.000 -0.792 1.00 0.00 H new ATOM 0 H3 PHE B 1 9.544 2.895 -2.056 1.00 0.00 H new ATOM 0 HA PHE B 1 11.364 2.902 0.260 1.00 0.00 H new ATOM 0 HB2 PHE B 1 12.769 2.556 -2.153 1.00 0.00 H new ATOM 0 HB3 PHE B 1 12.314 1.296 -1.024 1.00 0.00 H new ATOM 0 HD1 PHE B 1 11.093 3.209 -4.001 1.00 0.00 H new ATOM 0 HD2 PHE B 1 10.671 -0.333 -1.603 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.560 2.243 -5.696 1.00 0.00 H new ATOM 0 HE2 PHE B 1 9.141 -1.299 -3.301 1.00 0.00 H new ATOM 0 HZ PHE B 1 8.588 -0.012 -5.348 1.00 0.00 H new ATOM 336 N VAL B 2 11.133 5.193 -2.075 1.00 0.00 N ATOM 337 CA VAL B 2 11.601 6.558 -2.442 1.00 0.00 C ATOM 338 C VAL B 2 10.458 7.287 -3.153 1.00 0.00 C ATOM 339 O VAL B 2 10.126 6.977 -4.280 1.00 0.00 O ATOM 340 CB VAL B 2 12.824 6.443 -3.368 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.715 5.174 -4.216 1.00 0.00 C ATOM 342 CG2 VAL B 2 12.900 7.659 -4.296 1.00 0.00 C ATOM 0 H VAL B 2 10.345 4.845 -2.621 1.00 0.00 H new ATOM 0 HA VAL B 2 11.890 7.117 -1.552 1.00 0.00 H new ATOM 0 HB VAL B 2 13.723 6.400 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.584 5.098 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.675 4.302 -3.563 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.809 5.217 -4.820 1.00 0.00 H new ATOM 0 HG21 VAL B 2 13.770 7.566 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.996 7.710 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL B 2 12.988 8.567 -3.699 1.00 0.00 H new ATOM 352 N ASN B 3 9.851 8.247 -2.505 1.00 0.00 N ATOM 353 CA ASN B 3 8.724 8.979 -3.153 1.00 0.00 C ATOM 354 C ASN B 3 7.824 7.959 -3.845 1.00 0.00 C ATOM 355 O ASN B 3 7.791 7.863 -5.055 1.00 0.00 O ATOM 356 CB ASN B 3 9.269 9.965 -4.189 1.00 0.00 C ATOM 357 CG ASN B 3 10.649 10.462 -3.752 1.00 0.00 C ATOM 358 OD1 ASN B 3 10.902 10.609 -2.480 1.00 0.00 O flip ATOM 359 ND2 ASN B 3 11.503 10.720 -4.575 1.00 0.00 N flip ATOM 0 H ASN B 3 10.085 8.554 -1.561 1.00 0.00 H new ATOM 0 HA ASN B 3 8.161 9.534 -2.402 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.338 9.482 -5.164 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.586 10.808 -4.298 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.305 10.605 -5.569 1.00 0.00 H new ATOM 0 HD22 ASN B 3 12.419 11.052 -4.273 1.00 0.00 H new ATOM 366 N GLN B 4 7.115 7.173 -3.084 1.00 0.00 N ATOM 367 CA GLN B 4 6.246 6.136 -3.700 1.00 0.00 C ATOM 368 C GLN B 4 4.947 6.757 -4.214 1.00 0.00 C ATOM 369 O GLN B 4 4.031 7.028 -3.463 1.00 0.00 O ATOM 370 CB GLN B 4 5.916 5.065 -2.659 1.00 0.00 C ATOM 371 CG GLN B 4 6.419 3.706 -3.148 1.00 0.00 C ATOM 372 CD GLN B 4 6.400 2.706 -1.991 1.00 0.00 C ATOM 373 OE1 GLN B 4 5.925 1.597 -2.138 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.899 3.053 -0.837 1.00 0.00 N ATOM 0 H GLN B 4 7.100 7.205 -2.065 1.00 0.00 H new ATOM 0 HA GLN B 4 6.778 5.689 -4.540 1.00 0.00 H new ATOM 0 HB2 GLN B 4 6.380 5.315 -1.705 1.00 0.00 H new ATOM 0 HB3 GLN B 4 4.840 5.027 -2.489 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.791 3.346 -3.963 1.00 0.00 H new ATOM 0 HG3 GLN B 4 7.430 3.802 -3.543 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.298 3.984 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.890 2.394 -0.059 1.00 0.00 H new ATOM 383 N HIS B 5 4.855 6.951 -5.501 1.00 0.00 N ATOM 384 CA HIS B 5 3.615 7.515 -6.092 1.00 0.00 C ATOM 385 C HIS B 5 2.880 6.369 -6.779 1.00 0.00 C ATOM 386 O HIS B 5 3.438 5.663 -7.595 1.00 0.00 O ATOM 387 CB HIS B 5 3.968 8.598 -7.113 1.00 0.00 C ATOM 388 CG HIS B 5 3.666 9.951 -6.529 1.00 0.00 C ATOM 389 ND1 HIS B 5 4.673 10.838 -6.209 1.00 0.00 N ATOM 390 CD2 HIS B 5 2.477 10.550 -6.212 1.00 0.00 C ATOM 391 CE1 HIS B 5 4.078 11.933 -5.714 1.00 0.00 C ATOM 392 NE2 HIS B 5 2.734 11.802 -5.697 1.00 0.00 N ATOM 0 H HIS B 5 5.594 6.740 -6.172 1.00 0.00 H new ATOM 0 HA HIS B 5 2.990 7.968 -5.322 1.00 0.00 H new ATOM 0 HB2 HIS B 5 5.023 8.532 -7.380 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.397 8.449 -8.030 1.00 0.00 H new ATOM 0 HD2 HIS B 5 1.498 10.113 -6.344 1.00 0.00 H new ATOM 0 HE1 HIS B 5 4.607 12.810 -5.372 1.00 0.00 H new ATOM 0 HE2 HIS B 5 2.052 12.487 -5.371 1.00 0.00 H new ATOM 400 N LEU B 6 1.646 6.156 -6.440 1.00 0.00 N ATOM 401 CA LEU B 6 0.901 5.029 -7.057 1.00 0.00 C ATOM 402 C LEU B 6 -0.471 5.501 -7.520 1.00 0.00 C ATOM 403 O LEU B 6 -1.152 6.239 -6.840 1.00 0.00 O ATOM 404 CB LEU B 6 0.717 3.925 -6.019 1.00 0.00 C ATOM 405 CG LEU B 6 1.985 3.080 -5.921 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.138 3.928 -5.380 1.00 0.00 C ATOM 407 CD2 LEU B 6 1.727 1.915 -4.968 1.00 0.00 C ATOM 0 H LEU B 6 1.120 6.711 -5.764 1.00 0.00 H new ATOM 0 HA LEU B 6 1.463 4.655 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.487 4.363 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.129 3.295 -6.293 1.00 0.00 H new ATOM 0 HG LEU B 6 2.251 2.707 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.039 3.318 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.318 4.768 -6.051 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.880 4.303 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.626 1.303 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.464 2.302 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.907 1.307 -5.350 1.00 0.00 H new ATOM 419 N CYS B 7 -0.888 5.062 -8.669 1.00 0.00 N ATOM 420 CA CYS B 7 -2.224 5.466 -9.178 1.00 0.00 C ATOM 421 C CYS B 7 -2.804 4.333 -10.025 1.00 0.00 C ATOM 422 O CYS B 7 -2.504 4.197 -11.194 1.00 0.00 O ATOM 423 CB CYS B 7 -2.088 6.731 -10.028 1.00 0.00 C ATOM 424 SG CYS B 7 -1.769 8.146 -8.948 1.00 0.00 S ATOM 0 H CYS B 7 -0.361 4.439 -9.280 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.890 5.670 -8.339 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -1.275 6.616 -10.745 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -2.999 6.896 -10.603 1.00 0.00 H new HETATM 429 N DAL B 8 -3.632 3.517 -9.436 1.00 0.00 N HETATM 430 CA DAL B 8 -4.237 2.386 -10.195 1.00 0.00 C HETATM 431 CB DAL B 8 -4.981 1.465 -9.226 1.00 0.00 C HETATM 432 C DAL B 8 -3.134 1.594 -10.907 1.00 0.00 C HETATM 433 O DAL B 8 -2.523 0.712 -10.338 1.00 0.00 O HETATM 0 HB3 DAL B 8 -4.282 1.074 -8.486 1.00 0.00 H new HETATM 0 HB2 DAL B 8 -5.767 2.027 -8.721 1.00 0.00 H new HETATM 0 HB1 DAL B 8 -5.424 0.637 -9.779 1.00 0.00 H new HETATM 0 HA DAL B 8 -4.934 2.778 -10.935 1.00 0.00 H new HETATM 0 H DAL B 8 -3.754 3.576 -8.425 1.00 0.00 H new ATOM 439 N SER B 9 -2.884 1.901 -12.149 1.00 0.00 N ATOM 440 CA SER B 9 -1.831 1.172 -12.912 1.00 0.00 C ATOM 441 C SER B 9 -0.595 0.966 -12.033 1.00 0.00 C ATOM 442 O SER B 9 -0.016 -0.102 -12.010 1.00 0.00 O ATOM 443 CB SER B 9 -1.443 1.981 -14.149 1.00 0.00 C ATOM 444 OG SER B 9 -0.389 2.874 -13.815 1.00 0.00 O ATOM 0 H SER B 9 -3.367 2.631 -12.673 1.00 0.00 H new ATOM 0 HA SER B 9 -2.221 0.201 -13.216 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.129 1.313 -14.951 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.304 2.538 -14.518 1.00 0.00 H new ATOM 0 HG SER B 9 -0.137 3.393 -14.607 1.00 0.00 H new ATOM 450 N ASP B 10 -0.183 1.971 -11.310 1.00 0.00 N ATOM 451 CA ASP B 10 1.016 1.812 -10.440 1.00 0.00 C ATOM 452 C ASP B 10 0.578 1.258 -9.091 1.00 0.00 C ATOM 453 O ASP B 10 1.299 0.529 -8.440 1.00 0.00 O ATOM 454 CB ASP B 10 1.701 3.166 -10.241 1.00 0.00 C ATOM 455 CG ASP B 10 2.854 3.307 -11.237 1.00 0.00 C ATOM 456 OD1 ASP B 10 2.578 3.422 -12.421 1.00 0.00 O ATOM 457 OD2 ASP B 10 3.993 3.298 -10.800 1.00 0.00 O ATOM 0 H ASP B 10 -0.622 2.891 -11.284 1.00 0.00 H new ATOM 0 HA ASP B 10 1.720 1.127 -10.912 1.00 0.00 H new ATOM 0 HB2 ASP B 10 0.983 3.973 -10.384 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.076 3.249 -9.221 1.00 0.00 H new ATOM 462 N LEU B 11 -0.607 1.587 -8.675 1.00 0.00 N ATOM 463 CA LEU B 11 -1.106 1.069 -7.375 1.00 0.00 C ATOM 464 C LEU B 11 -0.955 -0.450 -7.371 1.00 0.00 C ATOM 465 O LEU B 11 -0.210 -1.017 -6.598 1.00 0.00 O ATOM 466 CB LEU B 11 -2.591 1.411 -7.224 1.00 0.00 C ATOM 467 CG LEU B 11 -2.835 2.220 -5.939 1.00 0.00 C ATOM 468 CD1 LEU B 11 -2.033 1.618 -4.785 1.00 0.00 C ATOM 469 CD2 LEU B 11 -2.407 3.676 -6.140 1.00 0.00 C ATOM 0 H LEU B 11 -1.254 2.193 -9.179 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.541 1.516 -6.557 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.927 1.983 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -3.180 0.494 -7.200 1.00 0.00 H new ATOM 0 HG LEU B 11 -3.899 2.185 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.211 2.196 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.345 0.586 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.971 1.642 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.585 4.238 -5.223 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.346 3.713 -6.388 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -2.985 4.116 -6.953 1.00 0.00 H new ATOM 481 N VAL B 12 -1.666 -1.104 -8.245 1.00 0.00 N ATOM 482 CA VAL B 12 -1.592 -2.586 -8.328 1.00 0.00 C ATOM 483 C VAL B 12 -0.163 -3.009 -8.675 1.00 0.00 C ATOM 484 O VAL B 12 0.409 -3.875 -8.044 1.00 0.00 O ATOM 485 CB VAL B 12 -2.554 -3.064 -9.417 1.00 0.00 C ATOM 486 CG1 VAL B 12 -2.830 -4.555 -9.241 1.00 0.00 C ATOM 487 CG2 VAL B 12 -3.868 -2.289 -9.307 1.00 0.00 C ATOM 0 H VAL B 12 -2.302 -0.669 -8.913 1.00 0.00 H new ATOM 0 HA VAL B 12 -1.869 -3.029 -7.371 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.106 -2.892 -10.396 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.516 -4.892 -10.018 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.895 -5.110 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.277 -4.729 -8.262 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.556 -2.627 -10.082 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.312 -2.463 -8.327 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -3.674 -1.224 -9.434 1.00 0.00 H new ATOM 497 N GLU B 13 0.421 -2.403 -9.674 1.00 0.00 N ATOM 498 CA GLU B 13 1.814 -2.773 -10.055 1.00 0.00 C ATOM 499 C GLU B 13 2.703 -2.719 -8.812 1.00 0.00 C ATOM 500 O GLU B 13 3.641 -3.480 -8.671 1.00 0.00 O ATOM 501 CB GLU B 13 2.341 -1.787 -11.100 1.00 0.00 C ATOM 502 CG GLU B 13 2.367 -2.461 -12.473 1.00 0.00 C ATOM 503 CD GLU B 13 0.944 -2.845 -12.886 1.00 0.00 C ATOM 504 OE1 GLU B 13 0.100 -2.945 -12.012 1.00 0.00 O ATOM 505 OE2 GLU B 13 0.724 -3.034 -14.071 1.00 0.00 O ATOM 0 H GLU B 13 -0.005 -1.670 -10.241 1.00 0.00 H new ATOM 0 HA GLU B 13 1.823 -3.780 -10.473 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.707 -0.901 -11.131 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.343 -1.454 -10.828 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.801 -1.787 -13.212 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.999 -3.349 -12.441 1.00 0.00 H new ATOM 512 N ALA B 14 2.410 -1.827 -7.908 1.00 0.00 N ATOM 513 CA ALA B 14 3.225 -1.722 -6.671 1.00 0.00 C ATOM 514 C ALA B 14 2.914 -2.916 -5.773 1.00 0.00 C ATOM 515 O ALA B 14 3.777 -3.709 -5.451 1.00 0.00 O ATOM 516 CB ALA B 14 2.866 -0.428 -5.941 1.00 0.00 C ATOM 0 H ALA B 14 1.637 -1.164 -7.975 1.00 0.00 H new ATOM 0 HA ALA B 14 4.286 -1.715 -6.921 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.462 -0.346 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.073 0.424 -6.588 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.807 -0.438 -5.682 1.00 0.00 H new ATOM 522 N LEU B 15 1.680 -3.057 -5.378 1.00 0.00 N ATOM 523 CA LEU B 15 1.303 -4.206 -4.513 1.00 0.00 C ATOM 524 C LEU B 15 1.808 -5.493 -5.162 1.00 0.00 C ATOM 525 O LEU B 15 2.103 -6.464 -4.496 1.00 0.00 O ATOM 526 CB LEU B 15 -0.218 -4.259 -4.374 1.00 0.00 C ATOM 527 CG LEU B 15 -0.712 -2.977 -3.692 1.00 0.00 C ATOM 528 CD1 LEU B 15 -2.166 -2.692 -4.086 1.00 0.00 C ATOM 529 CD2 LEU B 15 -0.624 -3.144 -2.174 1.00 0.00 C ATOM 0 H LEU B 15 0.916 -2.425 -5.618 1.00 0.00 H new ATOM 0 HA LEU B 15 1.747 -4.093 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.681 -4.363 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.511 -5.131 -3.789 1.00 0.00 H new ATOM 0 HG LEU B 15 -0.087 -2.143 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.504 -1.779 -3.595 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.233 -2.568 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -2.797 -3.525 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -0.975 -2.234 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -1.245 -3.984 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU B 15 0.411 -3.333 -1.888 1.00 0.00 H new ATOM 541 N TYR B 16 1.919 -5.499 -6.462 1.00 0.00 N ATOM 542 CA TYR B 16 2.414 -6.716 -7.162 1.00 0.00 C ATOM 543 C TYR B 16 3.848 -6.997 -6.715 1.00 0.00 C ATOM 544 O TYR B 16 4.156 -8.060 -6.215 1.00 0.00 O ATOM 545 CB TYR B 16 2.387 -6.483 -8.674 1.00 0.00 C ATOM 546 CG TYR B 16 2.207 -7.805 -9.382 1.00 0.00 C ATOM 547 CD1 TYR B 16 3.005 -8.902 -9.030 1.00 0.00 C ATOM 548 CD2 TYR B 16 1.242 -7.935 -10.390 1.00 0.00 C ATOM 549 CE1 TYR B 16 2.838 -10.128 -9.686 1.00 0.00 C ATOM 550 CE2 TYR B 16 1.075 -9.162 -11.045 1.00 0.00 C ATOM 551 CZ TYR B 16 1.873 -10.259 -10.694 1.00 0.00 C ATOM 552 OH TYR B 16 1.708 -11.468 -11.339 1.00 0.00 O ATOM 0 H TYR B 16 1.688 -4.713 -7.069 1.00 0.00 H new ATOM 0 HA TYR B 16 1.777 -7.566 -6.918 1.00 0.00 H new ATOM 0 HB2 TYR B 16 1.574 -5.805 -8.934 1.00 0.00 H new ATOM 0 HB3 TYR B 16 3.314 -6.008 -8.997 1.00 0.00 H new ATOM 0 HD1 TYR B 16 3.749 -8.802 -8.253 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.627 -7.090 -10.662 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.453 -10.973 -9.415 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.331 -9.263 -11.821 1.00 0.00 H new ATOM 0 HH TYR B 16 0.997 -11.387 -12.009 1.00 0.00 H new ATOM 562 N LEU B 17 4.726 -6.045 -6.881 1.00 0.00 N ATOM 563 CA LEU B 17 6.139 -6.251 -6.457 1.00 0.00 C ATOM 564 C LEU B 17 6.217 -6.190 -4.931 1.00 0.00 C ATOM 565 O LEU B 17 6.934 -6.945 -4.303 1.00 0.00 O ATOM 566 CB LEU B 17 7.020 -5.152 -7.059 1.00 0.00 C ATOM 567 CG LEU B 17 7.965 -5.761 -8.096 1.00 0.00 C ATOM 568 CD1 LEU B 17 8.562 -4.649 -8.960 1.00 0.00 C ATOM 569 CD2 LEU B 17 9.093 -6.509 -7.381 1.00 0.00 C ATOM 0 H LEU B 17 4.525 -5.133 -7.292 1.00 0.00 H new ATOM 0 HA LEU B 17 6.489 -7.223 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU B 17 6.398 -4.387 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.594 -4.661 -6.273 1.00 0.00 H new ATOM 0 HG LEU B 17 7.410 -6.454 -8.728 1.00 0.00 H new ATOM 0 HD11 LEU B 17 9.235 -5.084 -9.699 1.00 0.00 H new ATOM 0 HD12 LEU B 17 7.761 -4.114 -9.470 1.00 0.00 H new ATOM 0 HD13 LEU B 17 9.116 -3.955 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.767 -6.943 -8.120 1.00 0.00 H new ATOM 0 HD22 LEU B 17 9.646 -5.815 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.670 -7.302 -6.765 1.00 0.00 H new ATOM 581 N VAL B 18 5.476 -5.299 -4.328 1.00 0.00 N ATOM 582 CA VAL B 18 5.496 -5.190 -2.842 1.00 0.00 C ATOM 583 C VAL B 18 4.962 -6.488 -2.238 1.00 0.00 C ATOM 584 O VAL B 18 5.541 -7.049 -1.329 1.00 0.00 O ATOM 585 CB VAL B 18 4.605 -4.026 -2.406 1.00 0.00 C ATOM 586 CG1 VAL B 18 4.917 -3.651 -0.958 1.00 0.00 C ATOM 587 CG2 VAL B 18 4.865 -2.818 -3.302 1.00 0.00 C ATOM 0 H VAL B 18 4.857 -4.641 -4.802 1.00 0.00 H new ATOM 0 HA VAL B 18 6.516 -5.016 -2.500 1.00 0.00 H new ATOM 0 HB VAL B 18 3.561 -4.327 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.280 -2.821 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL B 18 4.731 -4.509 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.963 -3.355 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.229 -1.990 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.911 -2.523 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.641 -3.077 -4.337 1.00 0.00 H new ATOM 597 N CYS B 19 3.857 -6.968 -2.739 1.00 0.00 N ATOM 598 CA CYS B 19 3.279 -8.229 -2.197 1.00 0.00 C ATOM 599 C CYS B 19 3.533 -9.372 -3.180 1.00 0.00 C ATOM 600 O CYS B 19 4.311 -10.267 -2.919 1.00 0.00 O ATOM 601 CB CYS B 19 1.774 -8.050 -2.001 1.00 0.00 C ATOM 602 SG CYS B 19 1.456 -7.429 -0.332 1.00 0.00 S ATOM 0 H CYS B 19 3.330 -6.541 -3.501 1.00 0.00 H new ATOM 0 HA CYS B 19 3.747 -8.464 -1.241 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.380 -7.354 -2.741 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.261 -9.000 -2.152 1.00 0.00 H new ATOM 607 N GLY B 20 2.883 -9.349 -4.311 1.00 0.00 N ATOM 608 CA GLY B 20 3.089 -10.436 -5.311 1.00 0.00 C ATOM 609 C GLY B 20 2.027 -11.520 -5.125 1.00 0.00 C ATOM 610 O GLY B 20 0.866 -11.238 -4.897 1.00 0.00 O ATOM 0 H GLY B 20 2.219 -8.626 -4.586 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.033 -10.029 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.084 -10.865 -5.195 1.00 0.00 H new ATOM 614 N GLU B 21 2.417 -12.761 -5.225 1.00 0.00 N ATOM 615 CA GLU B 21 1.436 -13.871 -5.060 1.00 0.00 C ATOM 616 C GLU B 21 0.914 -13.898 -3.621 1.00 0.00 C ATOM 617 O GLU B 21 0.000 -14.630 -3.298 1.00 0.00 O ATOM 618 CB GLU B 21 2.118 -15.205 -5.377 1.00 0.00 C ATOM 619 CG GLU B 21 2.478 -15.256 -6.863 1.00 0.00 C ATOM 620 CD GLU B 21 2.749 -16.704 -7.273 1.00 0.00 C ATOM 621 OE1 GLU B 21 3.726 -17.260 -6.798 1.00 0.00 O ATOM 622 OE2 GLU B 21 1.977 -17.233 -8.056 1.00 0.00 O ATOM 0 H GLU B 21 3.375 -13.055 -5.414 1.00 0.00 H new ATOM 0 HA GLU B 21 0.600 -13.713 -5.742 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.017 -15.319 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU B 21 1.456 -16.033 -5.124 1.00 0.00 H new ATOM 0 HG2 GLU B 21 1.664 -14.844 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.357 -14.642 -7.056 1.00 0.00 H new ATOM 629 N ARG B 22 1.485 -13.108 -2.753 1.00 0.00 N ATOM 630 CA ARG B 22 1.014 -13.098 -1.337 1.00 0.00 C ATOM 631 C ARG B 22 -0.483 -12.787 -1.298 1.00 0.00 C ATOM 632 O ARG B 22 -1.149 -13.020 -0.309 1.00 0.00 O ATOM 633 CB ARG B 22 1.775 -12.031 -0.545 1.00 0.00 C ATOM 634 CG ARG B 22 3.211 -12.502 -0.300 1.00 0.00 C ATOM 635 CD ARG B 22 3.458 -12.614 1.206 1.00 0.00 C ATOM 636 NE ARG B 22 4.756 -13.304 1.447 1.00 0.00 N ATOM 637 CZ ARG B 22 4.811 -14.327 2.253 1.00 0.00 C ATOM 638 NH1 ARG B 22 4.767 -14.143 3.545 1.00 0.00 N ATOM 639 NH2 ARG B 22 4.907 -15.536 1.770 1.00 0.00 N ATOM 0 H ARG B 22 2.254 -12.471 -2.961 1.00 0.00 H new ATOM 0 HA ARG B 22 1.196 -14.076 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG B 22 1.779 -11.089 -1.094 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.276 -11.844 0.406 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.376 -13.467 -0.780 1.00 0.00 H new ATOM 0 HG3 ARG B 22 3.917 -11.800 -0.744 1.00 0.00 H new ATOM 0 HD2 ARG B 22 3.472 -11.622 1.658 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.647 -13.168 1.678 1.00 0.00 H new ATOM 0 HE ARG B 22 5.602 -12.976 0.981 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.690 -13.199 3.923 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.810 -14.943 4.176 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.939 -15.681 0.761 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.950 -16.336 2.402 1.00 0.00 H new ATOM 653 N GLY B 23 -1.017 -12.259 -2.364 1.00 0.00 N ATOM 654 CA GLY B 23 -2.471 -11.933 -2.385 1.00 0.00 C ATOM 655 C GLY B 23 -2.665 -10.453 -2.036 1.00 0.00 C ATOM 656 O GLY B 23 -3.100 -10.116 -0.953 1.00 0.00 O ATOM 0 H GLY B 23 -0.510 -12.039 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.888 -12.144 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -3.006 -12.560 -1.671 1.00 0.00 H new ATOM 660 N PHE B 24 -2.347 -9.564 -2.941 1.00 0.00 N ATOM 661 CA PHE B 24 -2.515 -8.113 -2.646 1.00 0.00 C ATOM 662 C PHE B 24 -3.767 -7.588 -3.353 1.00 0.00 C ATOM 663 O PHE B 24 -4.005 -7.863 -4.511 1.00 0.00 O ATOM 664 CB PHE B 24 -1.283 -7.335 -3.130 1.00 0.00 C ATOM 665 CG PHE B 24 -1.325 -7.163 -4.634 1.00 0.00 C ATOM 666 CD1 PHE B 24 -2.175 -6.208 -5.213 1.00 0.00 C ATOM 667 CD2 PHE B 24 -0.516 -7.965 -5.452 1.00 0.00 C ATOM 668 CE1 PHE B 24 -2.214 -6.059 -6.604 1.00 0.00 C ATOM 669 CE2 PHE B 24 -0.556 -7.813 -6.843 1.00 0.00 C ATOM 670 CZ PHE B 24 -1.404 -6.863 -7.420 1.00 0.00 C ATOM 0 H PHE B 24 -1.980 -9.780 -3.868 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.622 -7.976 -1.570 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.249 -6.359 -2.647 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.375 -7.865 -2.843 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -2.799 -5.588 -4.586 1.00 0.00 H new ATOM 0 HD2 PHE B 24 0.139 -8.701 -5.008 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -2.868 -5.324 -7.050 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.069 -8.430 -7.471 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.436 -6.748 -8.493 1.00 0.00 H new ATOM 680 N PHE B 25 -4.564 -6.830 -2.657 1.00 0.00 N ATOM 681 CA PHE B 25 -5.802 -6.275 -3.272 1.00 0.00 C ATOM 682 C PHE B 25 -6.055 -4.872 -2.716 1.00 0.00 C ATOM 683 O PHE B 25 -6.451 -4.707 -1.579 1.00 0.00 O ATOM 684 CB PHE B 25 -6.989 -7.180 -2.931 1.00 0.00 C ATOM 685 CG PHE B 25 -7.229 -7.154 -1.441 1.00 0.00 C ATOM 686 CD1 PHE B 25 -6.254 -7.653 -0.566 1.00 0.00 C ATOM 687 CD2 PHE B 25 -8.424 -6.630 -0.933 1.00 0.00 C ATOM 688 CE1 PHE B 25 -6.476 -7.627 0.818 1.00 0.00 C ATOM 689 CE2 PHE B 25 -8.647 -6.605 0.451 1.00 0.00 C ATOM 690 CZ PHE B 25 -7.672 -7.103 1.326 1.00 0.00 C ATOM 0 H PHE B 25 -4.411 -6.569 -1.683 1.00 0.00 H new ATOM 0 HA PHE B 25 -5.683 -6.224 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.881 -6.843 -3.460 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.789 -8.200 -3.260 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.332 -8.057 -0.958 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.174 -6.245 -1.608 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -5.725 -8.011 1.493 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -9.569 -6.202 0.843 1.00 0.00 H new ATOM 0 HZ PHE B 25 -7.843 -7.083 2.392 1.00 0.00 H new ATOM 700 N TYR B 26 -5.828 -3.856 -3.504 1.00 0.00 N ATOM 701 CA TYR B 26 -6.054 -2.468 -3.010 1.00 0.00 C ATOM 702 C TYR B 26 -7.555 -2.159 -3.016 1.00 0.00 C ATOM 703 O TYR B 26 -8.348 -2.889 -3.578 1.00 0.00 O ATOM 704 CB TYR B 26 -5.294 -1.473 -3.902 1.00 0.00 C ATOM 705 CG TYR B 26 -6.122 -1.099 -5.112 1.00 0.00 C ATOM 706 CD1 TYR B 26 -6.773 -2.094 -5.854 1.00 0.00 C ATOM 707 CD2 TYR B 26 -6.238 0.245 -5.491 1.00 0.00 C ATOM 708 CE1 TYR B 26 -7.540 -1.744 -6.973 1.00 0.00 C ATOM 709 CE2 TYR B 26 -7.005 0.595 -6.610 1.00 0.00 C ATOM 710 CZ TYR B 26 -7.655 -0.400 -7.352 1.00 0.00 C ATOM 711 OH TYR B 26 -8.410 -0.055 -8.454 1.00 0.00 O ATOM 0 H TYR B 26 -5.497 -3.927 -4.466 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.682 -2.376 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -5.051 -0.577 -3.331 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -4.350 -1.913 -4.223 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -6.683 -3.130 -5.563 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.736 1.012 -4.920 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -8.043 -2.511 -7.544 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.095 1.631 -6.900 1.00 0.00 H new ATOM 0 HH TYR B 26 -8.385 0.917 -8.576 1.00 0.00 H new ATOM 721 N THR B 27 -7.952 -1.084 -2.390 1.00 0.00 N ATOM 722 CA THR B 27 -9.399 -0.732 -2.356 1.00 0.00 C ATOM 723 C THR B 27 -9.722 0.232 -3.499 1.00 0.00 C ATOM 724 O THR B 27 -8.941 1.102 -3.831 1.00 0.00 O ATOM 725 CB THR B 27 -9.726 -0.061 -1.020 1.00 0.00 C ATOM 726 OG1 THR B 27 -8.522 0.169 -0.302 1.00 0.00 O ATOM 727 CG2 THR B 27 -10.647 -0.968 -0.202 1.00 0.00 C ATOM 0 H THR B 27 -7.336 -0.435 -1.901 1.00 0.00 H new ATOM 0 HA THR B 27 -9.994 -1.638 -2.468 1.00 0.00 H new ATOM 0 HB THR B 27 -10.228 0.889 -1.203 1.00 0.00 H new ATOM 0 HG1 THR B 27 -8.729 0.600 0.553 1.00 0.00 H new ATOM 0 HG21 THR B 27 -10.879 -0.489 0.749 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.570 -1.143 -0.755 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.149 -1.920 -0.017 1.00 0.00 H new ATOM 735 N LYS B 28 -10.870 0.086 -4.103 1.00 0.00 N ATOM 736 CA LYS B 28 -11.246 0.997 -5.221 1.00 0.00 C ATOM 737 C LYS B 28 -11.799 2.303 -4.617 1.00 0.00 C ATOM 738 O LYS B 28 -11.657 2.518 -3.430 1.00 0.00 O ATOM 739 CB LYS B 28 -12.307 0.314 -6.094 1.00 0.00 C ATOM 740 CG LYS B 28 -12.115 -1.205 -6.060 1.00 0.00 C ATOM 741 CD LYS B 28 -13.211 -1.839 -5.201 1.00 0.00 C ATOM 742 CE LYS B 28 -13.341 -3.322 -5.552 1.00 0.00 C ATOM 743 NZ LYS B 28 -14.164 -4.007 -4.516 1.00 0.00 N ATOM 0 H LYS B 28 -11.564 -0.625 -3.870 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.380 1.224 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.304 0.571 -5.737 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -12.233 0.675 -7.120 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -12.151 -1.610 -7.072 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -11.133 -1.449 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.971 -1.724 -4.144 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.160 -1.330 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -13.803 -3.435 -6.533 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.354 -3.781 -5.610 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -14.253 -5.015 -4.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.705 -3.909 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.109 -3.575 -4.482 1.00 0.00 H new ATOM 757 N PRO B 29 -12.405 3.152 -5.427 1.00 0.00 N ATOM 758 CA PRO B 29 -12.954 4.427 -4.933 1.00 0.00 C ATOM 759 C PRO B 29 -14.316 4.201 -4.270 1.00 0.00 C ATOM 760 O PRO B 29 -14.814 3.095 -4.217 1.00 0.00 O ATOM 761 CB PRO B 29 -13.096 5.276 -6.198 1.00 0.00 C ATOM 762 CG PRO B 29 -13.170 4.286 -7.384 1.00 0.00 C ATOM 763 CD PRO B 29 -12.605 2.944 -6.882 1.00 0.00 C ATOM 0 HA PRO B 29 -12.324 4.900 -4.180 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -13.993 5.894 -6.152 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.248 5.952 -6.309 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -14.198 4.169 -7.725 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -12.593 4.655 -8.232 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -13.297 2.124 -7.075 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.668 2.695 -7.381 1.00 0.00 H new ATOM 771 N THR B 30 -14.919 5.242 -3.763 1.00 0.00 N ATOM 772 CA THR B 30 -16.246 5.086 -3.104 1.00 0.00 C ATOM 773 C THR B 30 -17.255 4.532 -4.111 1.00 0.00 C ATOM 774 O THR B 30 -18.328 4.135 -3.688 1.00 0.00 O ATOM 775 CB THR B 30 -16.724 6.448 -2.596 1.00 0.00 C ATOM 776 OG1 THR B 30 -17.188 7.225 -3.692 1.00 0.00 O ATOM 777 CG2 THR B 30 -15.568 7.173 -1.908 1.00 0.00 C ATOM 778 OXT THR B 30 -16.937 4.514 -5.289 1.00 0.00 O ATOM 0 H THR B 30 -14.550 6.193 -3.777 1.00 0.00 H new ATOM 0 HA THR B 30 -16.157 4.396 -2.265 1.00 0.00 H new ATOM 0 HB THR B 30 -17.535 6.305 -1.882 1.00 0.00 H new ATOM 0 HG1 THR B 30 -17.496 8.097 -3.368 1.00 0.00 H new ATOM 0 HG21 THR B 30 -15.910 8.143 -1.547 1.00 0.00 H new ATOM 0 HG22 THR B 30 -15.214 6.577 -1.067 1.00 0.00 H new ATOM 0 HG23 THR B 30 -14.754 7.317 -2.619 1.00 0.00 H new TER 786 THR B 30