USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=11 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 5 GLN : amide:sc= -3.85! C(o=-4.3!,f=-12!) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.41 K(o=-4.3,f=-6.7) USER MOD Set 2.1: A 1 GLY N :NH3+ -126:sc=-0.00558 (180deg=-1.64!) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 51:sc= 0.173 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0036 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.0057) USER MOD Single : A 21 ASN : amide:sc= -0.343 K(o=-0.34,f=-3.6!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -2.77 X(o=-2.8,f=-2.6!) USER MOD Single : B 4 GLN : amide:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -8.72! C(o=-8.7!,f=-9.7!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 0:sc= -1.01 USER MOD Single : B 27 THR OG1 : rot -68:sc= 0.928 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.168 3.533 1.724 1.00 0.00 N ATOM 2 CA GLY A 1 -7.199 4.064 0.331 1.00 0.00 C ATOM 3 C GLY A 1 -5.818 4.605 -0.043 1.00 0.00 C ATOM 4 O GLY A 1 -5.515 5.762 0.171 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.512 2.552 1.729 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.193 3.560 2.084 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.777 4.117 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.492 3.276 -0.363 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.945 4.855 0.249 1.00 0.00 H new ATOM 10 N ILE A 2 -4.979 3.776 -0.602 1.00 0.00 N ATOM 11 CA ILE A 2 -3.615 4.239 -0.995 1.00 0.00 C ATOM 12 C ILE A 2 -3.645 4.787 -2.427 1.00 0.00 C ATOM 13 O ILE A 2 -2.707 4.645 -3.181 1.00 0.00 O ATOM 14 CB ILE A 2 -2.738 2.984 -0.883 1.00 0.00 C ATOM 15 CG1 ILE A 2 -1.270 3.322 -1.156 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.216 1.928 -1.869 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.648 3.934 0.100 1.00 0.00 C ATOM 0 H ILE A 2 -5.178 2.796 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.236 5.046 -0.369 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.821 2.595 0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.726 2.423 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.195 4.020 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.589 1.040 -1.784 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.250 1.664 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.152 2.322 -2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.397 4.175 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.187 4.843 0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.710 3.220 0.922 1.00 0.00 H new ATOM 29 N VAL A 3 -4.723 5.421 -2.807 1.00 0.00 N ATOM 30 CA VAL A 3 -4.811 5.983 -4.188 1.00 0.00 C ATOM 31 C VAL A 3 -4.344 7.439 -4.191 1.00 0.00 C ATOM 32 O VAL A 3 -4.131 8.032 -5.230 1.00 0.00 O ATOM 33 CB VAL A 3 -6.291 5.892 -4.561 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.709 4.423 -4.630 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.128 6.613 -3.502 1.00 0.00 C ATOM 0 H VAL A 3 -5.545 5.574 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.181 5.444 -4.896 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.452 6.361 -5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.764 4.357 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.112 3.910 -5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.549 3.953 -3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.183 6.549 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.968 6.144 -2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.829 7.660 -3.453 1.00 0.00 H new ATOM 45 N GLU A 4 -4.182 8.016 -3.036 1.00 0.00 N ATOM 46 CA GLU A 4 -3.723 9.432 -2.966 1.00 0.00 C ATOM 47 C GLU A 4 -2.265 9.489 -2.506 1.00 0.00 C ATOM 48 O GLU A 4 -1.622 10.517 -2.573 1.00 0.00 O ATOM 49 CB GLU A 4 -4.656 10.112 -1.952 1.00 0.00 C ATOM 50 CG GLU A 4 -4.184 9.852 -0.513 1.00 0.00 C ATOM 51 CD GLU A 4 -4.508 8.412 -0.111 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.834 7.517 -0.598 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.423 8.227 0.674 1.00 0.00 O ATOM 0 H GLU A 4 -4.347 7.569 -2.134 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.763 9.931 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.685 11.185 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.672 9.738 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.111 10.028 -0.436 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.671 10.548 0.170 1.00 0.00 H new ATOM 60 N GLN A 5 -1.744 8.396 -2.023 1.00 0.00 N ATOM 61 CA GLN A 5 -0.334 8.399 -1.545 1.00 0.00 C ATOM 62 C GLN A 5 0.649 8.015 -2.677 1.00 0.00 C ATOM 63 O GLN A 5 1.394 8.851 -3.147 1.00 0.00 O ATOM 64 CB GLN A 5 -0.319 7.412 -0.355 1.00 0.00 C ATOM 65 CG GLN A 5 0.937 6.533 -0.381 1.00 0.00 C ATOM 66 CD GLN A 5 1.379 6.235 1.052 1.00 0.00 C ATOM 67 OE1 GLN A 5 1.161 5.151 1.557 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.998 7.159 1.734 1.00 0.00 N ATOM 0 H GLN A 5 -2.231 7.504 -1.939 1.00 0.00 H new ATOM 0 HA GLN A 5 0.002 9.387 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.358 7.967 0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.208 6.782 -0.390 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.732 5.603 -0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.737 7.039 -0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.181 8.069 1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.299 6.972 2.690 1.00 0.00 H new ATOM 77 N CYS A 6 0.691 6.777 -3.115 1.00 0.00 N ATOM 78 CA CYS A 6 1.671 6.429 -4.193 1.00 0.00 C ATOM 79 C CYS A 6 1.376 7.175 -5.498 1.00 0.00 C ATOM 80 O CYS A 6 2.227 7.287 -6.330 1.00 0.00 O ATOM 81 CB CYS A 6 1.615 4.901 -4.420 1.00 0.00 C ATOM 82 SG CYS A 6 1.335 4.020 -2.874 1.00 0.00 S ATOM 0 H CYS A 6 0.105 6.011 -2.783 1.00 0.00 H new ATOM 0 HA CYS A 6 2.669 6.733 -3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.818 4.665 -5.125 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.549 4.563 -4.870 1.00 0.00 H new ATOM 87 N CYS A 7 0.215 7.696 -5.718 1.00 0.00 N ATOM 88 CA CYS A 7 0.016 8.412 -7.017 1.00 0.00 C ATOM 89 C CYS A 7 0.443 9.863 -6.869 1.00 0.00 C ATOM 90 O CYS A 7 1.243 10.377 -7.624 1.00 0.00 O ATOM 91 CB CYS A 7 -1.475 8.332 -7.298 1.00 0.00 C ATOM 92 SG CYS A 7 -1.841 8.912 -8.972 1.00 0.00 S ATOM 0 H CYS A 7 -0.587 7.667 -5.088 1.00 0.00 H new ATOM 0 HA CYS A 7 0.603 7.974 -7.824 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.818 7.304 -7.181 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.020 8.935 -6.571 1.00 0.00 H new ATOM 97 N THR A 8 -0.089 10.520 -5.887 1.00 0.00 N ATOM 98 CA THR A 8 0.273 11.943 -5.652 1.00 0.00 C ATOM 99 C THR A 8 1.527 12.024 -4.773 1.00 0.00 C ATOM 100 O THR A 8 1.769 13.012 -4.108 1.00 0.00 O ATOM 101 CB THR A 8 -0.938 12.521 -4.925 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.035 12.599 -5.824 1.00 0.00 O ATOM 103 CG2 THR A 8 -0.605 13.916 -4.398 1.00 0.00 C ATOM 0 H THR A 8 -0.765 10.132 -5.229 1.00 0.00 H new ATOM 0 HA THR A 8 0.499 12.484 -6.571 1.00 0.00 H new ATOM 0 HB THR A 8 -1.200 11.875 -4.087 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.814 12.968 -5.358 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.472 14.326 -3.880 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.235 13.853 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.340 14.566 -5.232 1.00 0.00 H new ATOM 111 N SER A 9 2.330 10.990 -4.770 1.00 0.00 N ATOM 112 CA SER A 9 3.569 10.997 -3.940 1.00 0.00 C ATOM 113 C SER A 9 4.291 9.652 -4.072 1.00 0.00 C ATOM 114 O SER A 9 4.031 8.884 -4.977 1.00 0.00 O ATOM 115 CB SER A 9 3.097 11.217 -2.501 1.00 0.00 C ATOM 116 OG SER A 9 4.215 11.143 -1.627 1.00 0.00 O ATOM 0 H SER A 9 2.178 10.138 -5.310 1.00 0.00 H new ATOM 0 HA SER A 9 4.269 11.772 -4.252 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.612 12.189 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.357 10.464 -2.229 1.00 0.00 H new ATOM 0 HG SER A 9 4.926 11.732 -1.955 1.00 0.00 H new ATOM 122 N ILE A 10 5.200 9.363 -3.184 1.00 0.00 N ATOM 123 CA ILE A 10 5.940 8.073 -3.271 1.00 0.00 C ATOM 124 C ILE A 10 5.717 7.236 -2.011 1.00 0.00 C ATOM 125 O ILE A 10 5.991 7.671 -0.909 1.00 0.00 O ATOM 126 CB ILE A 10 7.407 8.471 -3.377 1.00 0.00 C ATOM 127 CG1 ILE A 10 7.644 9.222 -4.688 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.276 7.215 -3.341 1.00 0.00 C ATOM 129 CD1 ILE A 10 8.238 10.599 -4.382 1.00 0.00 C ATOM 0 H ILE A 10 5.463 9.963 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 10 5.607 7.470 -4.116 1.00 0.00 H new ATOM 0 HB ILE A 10 7.669 9.119 -2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.321 8.655 -5.328 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.706 9.331 -5.233 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.326 7.497 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.109 6.684 -2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.013 6.567 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.408 11.137 -5.314 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.545 11.164 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.184 10.478 -3.855 1.00 0.00 H new ATOM 141 N CYS A 11 5.241 6.033 -2.164 1.00 0.00 N ATOM 142 CA CYS A 11 5.022 5.161 -0.967 1.00 0.00 C ATOM 143 C CYS A 11 5.916 3.919 -1.073 1.00 0.00 C ATOM 144 O CYS A 11 6.308 3.524 -2.152 1.00 0.00 O ATOM 145 CB CYS A 11 3.532 4.797 -0.993 1.00 0.00 C ATOM 146 SG CYS A 11 3.209 3.582 -2.290 1.00 0.00 S ATOM 0 H CYS A 11 4.994 5.613 -3.060 1.00 0.00 H new ATOM 0 HA CYS A 11 5.279 5.653 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.231 4.395 -0.025 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.934 5.692 -1.166 1.00 0.00 H new ATOM 151 N SER A 12 6.270 3.315 0.034 1.00 0.00 N ATOM 152 CA SER A 12 7.170 2.122 -0.035 1.00 0.00 C ATOM 153 C SER A 12 6.421 0.807 0.094 1.00 0.00 C ATOM 154 O SER A 12 5.210 0.748 0.159 1.00 0.00 O ATOM 155 CB SER A 12 8.143 2.263 1.125 1.00 0.00 C ATOM 156 OG SER A 12 7.637 3.203 2.062 1.00 0.00 O ATOM 0 H SER A 12 5.979 3.592 0.972 1.00 0.00 H new ATOM 0 HA SER A 12 7.664 2.095 -1.006 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.291 1.297 1.608 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.117 2.588 0.758 1.00 0.00 H new ATOM 0 HG SER A 12 8.265 3.291 2.809 1.00 0.00 H new ATOM 162 N LEU A 13 7.174 -0.255 0.135 1.00 0.00 N ATOM 163 CA LEU A 13 6.568 -1.613 0.252 1.00 0.00 C ATOM 164 C LEU A 13 6.022 -1.834 1.661 1.00 0.00 C ATOM 165 O LEU A 13 5.074 -2.568 1.859 1.00 0.00 O ATOM 166 CB LEU A 13 7.711 -2.587 -0.065 1.00 0.00 C ATOM 167 CG LEU A 13 7.394 -3.970 0.510 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.065 -5.045 -0.345 1.00 0.00 C ATOM 169 CD2 LEU A 13 7.922 -4.056 1.943 1.00 0.00 C ATOM 0 H LEU A 13 8.193 -0.242 0.092 1.00 0.00 H new ATOM 0 HA LEU A 13 5.725 -1.752 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.853 -2.656 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.645 -2.214 0.356 1.00 0.00 H new ATOM 0 HG LEU A 13 6.315 -4.127 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.839 -6.029 0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.691 -4.983 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.144 -4.890 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.698 -5.040 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.001 -3.900 1.943 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.444 -3.290 2.553 1.00 0.00 H new ATOM 181 N TYR A 14 6.589 -1.194 2.637 1.00 0.00 N ATOM 182 CA TYR A 14 6.068 -1.360 4.016 1.00 0.00 C ATOM 183 C TYR A 14 4.909 -0.392 4.206 1.00 0.00 C ATOM 184 O TYR A 14 4.015 -0.616 4.999 1.00 0.00 O ATOM 185 CB TYR A 14 7.222 -1.020 4.954 1.00 0.00 C ATOM 186 CG TYR A 14 6.868 -1.482 6.346 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.076 -0.673 7.171 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.328 -2.720 6.813 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.745 -1.100 8.464 1.00 0.00 C ATOM 190 CE2 TYR A 14 6.997 -3.149 8.105 1.00 0.00 C ATOM 191 CZ TYR A 14 6.206 -2.339 8.933 1.00 0.00 C ATOM 192 OH TYR A 14 5.880 -2.762 10.205 1.00 0.00 O ATOM 0 H TYR A 14 7.387 -0.566 2.542 1.00 0.00 H new ATOM 0 HA TYR A 14 5.708 -2.370 4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.138 -1.505 4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.409 0.054 4.949 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.720 0.281 6.810 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.938 -3.344 6.177 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.135 -0.475 9.099 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.351 -4.104 8.464 1.00 0.00 H new ATOM 0 HH TYR A 14 6.279 -3.642 10.370 1.00 0.00 H new ATOM 202 N GLN A 15 4.905 0.676 3.454 1.00 0.00 N ATOM 203 CA GLN A 15 3.787 1.647 3.561 1.00 0.00 C ATOM 204 C GLN A 15 2.576 1.042 2.859 1.00 0.00 C ATOM 205 O GLN A 15 1.467 1.080 3.359 1.00 0.00 O ATOM 206 CB GLN A 15 4.279 2.913 2.853 1.00 0.00 C ATOM 207 CG GLN A 15 4.481 4.024 3.886 1.00 0.00 C ATOM 208 CD GLN A 15 4.981 5.288 3.185 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.422 5.706 2.189 1.00 0.00 O ATOM 210 NE2 GLN A 15 6.018 5.921 3.663 1.00 0.00 N ATOM 0 H GLN A 15 5.627 0.914 2.774 1.00 0.00 H new ATOM 0 HA GLN A 15 3.498 1.878 4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.214 2.711 2.331 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.556 3.227 2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.544 4.229 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.199 3.706 4.642 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.488 5.572 4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.358 6.765 3.201 1.00 0.00 H new ATOM 219 N LEU A 16 2.793 0.431 1.725 1.00 0.00 N ATOM 220 CA LEU A 16 1.671 -0.227 1.013 1.00 0.00 C ATOM 221 C LEU A 16 1.329 -1.519 1.753 1.00 0.00 C ATOM 222 O LEU A 16 0.270 -2.092 1.591 1.00 0.00 O ATOM 223 CB LEU A 16 2.212 -0.518 -0.385 1.00 0.00 C ATOM 224 CG LEU A 16 1.050 -0.712 -1.353 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.821 0.575 -2.147 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.386 -1.847 -2.315 1.00 0.00 C ATOM 0 H LEU A 16 3.701 0.362 1.265 1.00 0.00 H new ATOM 0 HA LEU A 16 0.766 0.378 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.844 0.305 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.836 -1.412 -0.366 1.00 0.00 H new ATOM 0 HG LEU A 16 0.146 -0.956 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.010 0.433 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.588 1.389 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.722 0.821 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.559 -1.991 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.289 -1.597 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.550 -2.765 -1.751 1.00 0.00 H new ATOM 238 N GLU A 17 2.230 -1.967 2.586 1.00 0.00 N ATOM 239 CA GLU A 17 1.979 -3.205 3.367 1.00 0.00 C ATOM 240 C GLU A 17 0.673 -3.071 4.131 1.00 0.00 C ATOM 241 O GLU A 17 -0.042 -4.033 4.346 1.00 0.00 O ATOM 242 CB GLU A 17 3.135 -3.275 4.352 1.00 0.00 C ATOM 243 CG GLU A 17 3.547 -4.727 4.548 1.00 0.00 C ATOM 244 CD GLU A 17 3.020 -5.231 5.892 1.00 0.00 C ATOM 245 OE1 GLU A 17 1.881 -4.932 6.209 1.00 0.00 O ATOM 246 OE2 GLU A 17 3.765 -5.908 6.583 1.00 0.00 O ATOM 0 H GLU A 17 3.133 -1.524 2.757 1.00 0.00 H new ATOM 0 HA GLU A 17 1.909 -4.090 2.735 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.979 -2.693 3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.841 -2.837 5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.153 -5.340 3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.633 -4.815 4.515 1.00 0.00 H new ATOM 253 N ASN A 18 0.353 -1.878 4.544 1.00 0.00 N ATOM 254 CA ASN A 18 -0.907 -1.662 5.307 1.00 0.00 C ATOM 255 C ASN A 18 -2.140 -1.835 4.410 1.00 0.00 C ATOM 256 O ASN A 18 -3.131 -1.149 4.573 1.00 0.00 O ATOM 257 CB ASN A 18 -0.808 -0.223 5.809 1.00 0.00 C ATOM 258 CG ASN A 18 0.437 -0.075 6.685 1.00 0.00 C ATOM 259 OD1 ASN A 18 1.267 0.778 6.443 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.604 -0.879 7.700 1.00 0.00 N ATOM 0 H ASN A 18 0.912 -1.040 4.386 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.020 -2.383 6.117 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.756 0.465 4.965 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.700 0.037 6.379 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.432 -0.791 8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.093 -1.595 7.903 1.00 0.00 H new ATOM 267 N TYR A 19 -2.102 -2.742 3.468 1.00 0.00 N ATOM 268 CA TYR A 19 -3.289 -2.935 2.590 1.00 0.00 C ATOM 269 C TYR A 19 -3.545 -4.428 2.344 1.00 0.00 C ATOM 270 O TYR A 19 -4.665 -4.835 2.111 1.00 0.00 O ATOM 271 CB TYR A 19 -2.948 -2.191 1.295 1.00 0.00 C ATOM 272 CG TYR A 19 -3.045 -0.708 1.564 1.00 0.00 C ATOM 273 CD1 TYR A 19 -4.274 -0.047 1.424 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.913 0.005 1.983 1.00 0.00 C ATOM 275 CE1 TYR A 19 -4.368 1.323 1.701 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.010 1.372 2.268 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.237 2.030 2.130 1.00 0.00 C ATOM 278 OH TYR A 19 -3.332 3.379 2.413 1.00 0.00 O ATOM 0 H TYR A 19 -1.307 -3.351 3.272 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.206 -2.551 3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.944 -2.452 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.635 -2.479 0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.148 -0.594 1.103 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.965 -0.501 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.312 1.834 1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.138 1.919 2.594 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.457 3.716 2.698 1.00 0.00 H new ATOM 288 N CYS A 20 -2.530 -5.254 2.406 1.00 0.00 N ATOM 289 CA CYS A 20 -2.757 -6.709 2.185 1.00 0.00 C ATOM 290 C CYS A 20 -2.842 -7.445 3.525 1.00 0.00 C ATOM 291 O CYS A 20 -2.729 -6.853 4.579 1.00 0.00 O ATOM 292 CB CYS A 20 -1.546 -7.189 1.392 1.00 0.00 C ATOM 293 SG CYS A 20 -0.024 -6.818 2.301 1.00 0.00 S ATOM 0 H CYS A 20 -1.565 -4.985 2.598 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.691 -6.900 1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.620 -8.262 1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.524 -6.704 0.416 1.00 0.00 H new ATOM 298 N ASN A 21 -3.041 -8.734 3.487 1.00 0.00 N ATOM 299 CA ASN A 21 -3.137 -9.515 4.753 1.00 0.00 C ATOM 300 C ASN A 21 -4.296 -8.995 5.608 1.00 0.00 C ATOM 301 O ASN A 21 -5.198 -8.397 5.047 1.00 0.00 O ATOM 302 CB ASN A 21 -1.801 -9.291 5.463 1.00 0.00 C ATOM 303 CG ASN A 21 -0.914 -10.524 5.279 1.00 0.00 C ATOM 304 OD1 ASN A 21 -1.350 -11.525 4.746 1.00 0.00 O ATOM 305 ND2 ASN A 21 0.320 -10.496 5.701 1.00 0.00 N ATOM 306 OXT ASN A 21 -4.261 -9.207 6.809 1.00 0.00 O ATOM 0 H ASN A 21 -3.141 -9.281 2.632 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.327 -10.573 4.571 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.305 -8.409 5.058 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.967 -9.104 6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.918 -11.314 5.583 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.687 -9.656 6.149 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 15.549 1.288 1.624 1.00 0.00 N ATOM 315 CA PHE B 1 14.969 1.150 0.257 1.00 0.00 C ATOM 316 C PHE B 1 13.902 2.225 0.029 1.00 0.00 C ATOM 317 O PHE B 1 13.186 2.603 0.936 1.00 0.00 O ATOM 318 CB PHE B 1 14.342 -0.244 0.228 1.00 0.00 C ATOM 319 CG PHE B 1 14.083 -0.652 -1.202 1.00 0.00 C ATOM 320 CD1 PHE B 1 15.101 -1.252 -1.955 1.00 0.00 C ATOM 321 CD2 PHE B 1 12.825 -0.428 -1.778 1.00 0.00 C ATOM 322 CE1 PHE B 1 14.860 -1.630 -3.283 1.00 0.00 C ATOM 323 CE2 PHE B 1 12.585 -0.805 -3.105 1.00 0.00 C ATOM 324 CZ PHE B 1 13.602 -1.406 -3.858 1.00 0.00 C ATOM 0 H1 PHE B 1 16.272 0.555 1.770 1.00 0.00 H new ATOM 0 H2 PHE B 1 15.984 2.228 1.723 1.00 0.00 H new ATOM 0 H3 PHE B 1 14.796 1.178 2.333 1.00 0.00 H new ATOM 0 HA PHE B 1 15.719 1.273 -0.525 1.00 0.00 H new ATOM 0 HB2 PHE B 1 15.006 -0.963 0.707 1.00 0.00 H new ATOM 0 HB3 PHE B 1 13.409 -0.246 0.792 1.00 0.00 H new ATOM 0 HD1 PHE B 1 16.071 -1.423 -1.512 1.00 0.00 H new ATOM 0 HD2 PHE B 1 12.041 0.036 -1.198 1.00 0.00 H new ATOM 0 HE1 PHE B 1 15.644 -2.094 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE B 1 11.615 -0.632 -3.548 1.00 0.00 H new ATOM 0 HZ PHE B 1 13.416 -1.697 -4.881 1.00 0.00 H new ATOM 336 N VAL B 2 13.791 2.723 -1.172 1.00 0.00 N ATOM 337 CA VAL B 2 12.775 3.774 -1.452 1.00 0.00 C ATOM 338 C VAL B 2 11.815 3.301 -2.544 1.00 0.00 C ATOM 339 O VAL B 2 11.766 2.136 -2.884 1.00 0.00 O ATOM 340 CB VAL B 2 13.581 4.982 -1.932 1.00 0.00 C ATOM 341 CG1 VAL B 2 14.367 5.570 -0.758 1.00 0.00 C ATOM 342 CG2 VAL B 2 14.555 4.540 -3.027 1.00 0.00 C ATOM 0 H VAL B 2 14.361 2.447 -1.971 1.00 0.00 H new ATOM 0 HA VAL B 2 12.169 4.009 -0.577 1.00 0.00 H new ATOM 0 HB VAL B 2 12.903 5.737 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL B 2 14.942 6.431 -1.100 1.00 0.00 H new ATOM 0 HG12 VAL B 2 13.674 5.883 0.023 1.00 0.00 H new ATOM 0 HG13 VAL B 2 15.046 4.816 -0.360 1.00 0.00 H new ATOM 0 HG21 VAL B 2 15.131 5.400 -3.371 1.00 0.00 H new ATOM 0 HG22 VAL B 2 15.233 3.785 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.996 4.120 -3.863 1.00 0.00 H new ATOM 352 N ASN B 3 11.051 4.201 -3.091 1.00 0.00 N ATOM 353 CA ASN B 3 10.088 3.815 -4.161 1.00 0.00 C ATOM 354 C ASN B 3 9.631 5.057 -4.937 1.00 0.00 C ATOM 355 O ASN B 3 10.144 6.142 -4.747 1.00 0.00 O ATOM 356 CB ASN B 3 8.916 3.173 -3.413 1.00 0.00 C ATOM 357 CG ASN B 3 8.094 2.318 -4.382 1.00 0.00 C ATOM 358 OD1 ASN B 3 6.882 2.397 -4.401 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.707 1.499 -5.193 1.00 0.00 N ATOM 0 H ASN B 3 11.050 5.191 -2.844 1.00 0.00 H new ATOM 0 HA ASN B 3 10.524 3.136 -4.894 1.00 0.00 H new ATOM 0 HB2 ASN B 3 9.288 2.557 -2.594 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.287 3.945 -2.970 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.168 0.926 -5.842 1.00 0.00 H new ATOM 0 HD22 ASN B 3 9.725 1.432 -5.177 1.00 0.00 H new ATOM 366 N GLN B 4 8.678 4.906 -5.817 1.00 0.00 N ATOM 367 CA GLN B 4 8.191 6.068 -6.615 1.00 0.00 C ATOM 368 C GLN B 4 6.667 6.216 -6.430 1.00 0.00 C ATOM 369 O GLN B 4 6.100 5.689 -5.482 1.00 0.00 O ATOM 370 CB GLN B 4 8.567 5.694 -8.059 1.00 0.00 C ATOM 371 CG GLN B 4 8.451 6.916 -8.974 1.00 0.00 C ATOM 372 CD GLN B 4 9.619 6.930 -9.963 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.421 6.809 -11.157 1.00 0.00 O ATOM 374 NE2 GLN B 4 10.836 7.076 -9.517 1.00 0.00 N ATOM 0 H GLN B 4 8.213 4.021 -6.019 1.00 0.00 H new ATOM 0 HA GLN B 4 8.622 7.025 -6.322 1.00 0.00 H new ATOM 0 HB2 GLN B 4 9.585 5.306 -8.088 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.913 4.900 -8.418 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.504 6.890 -9.514 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.454 7.830 -8.379 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.004 7.178 -8.516 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.620 7.089 -10.169 1.00 0.00 H new ATOM 383 N HIS B 5 5.991 6.914 -7.313 1.00 0.00 N ATOM 384 CA HIS B 5 4.518 7.051 -7.165 1.00 0.00 C ATOM 385 C HIS B 5 3.843 5.894 -7.916 1.00 0.00 C ATOM 386 O HIS B 5 4.230 5.555 -9.017 1.00 0.00 O ATOM 387 CB HIS B 5 4.122 8.411 -7.778 1.00 0.00 C ATOM 388 CG HIS B 5 5.211 9.438 -7.569 1.00 0.00 C ATOM 389 ND1 HIS B 5 5.055 10.496 -6.687 1.00 0.00 N ATOM 390 CD2 HIS B 5 6.464 9.594 -8.116 1.00 0.00 C ATOM 391 CE1 HIS B 5 6.181 11.230 -6.725 1.00 0.00 C ATOM 392 NE2 HIS B 5 7.073 10.725 -7.581 1.00 0.00 N ATOM 0 H HIS B 5 6.396 7.388 -8.120 1.00 0.00 H new ATOM 0 HA HIS B 5 4.206 7.013 -6.121 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.930 8.291 -8.844 1.00 0.00 H new ATOM 0 HB3 HIS B 5 3.195 8.762 -7.325 1.00 0.00 H new ATOM 0 HD2 HIS B 5 6.908 8.938 -8.850 1.00 0.00 H new ATOM 0 HE1 HIS B 5 6.344 12.120 -6.135 1.00 0.00 H new ATOM 0 HE2 HIS B 5 8.001 11.090 -7.796 1.00 0.00 H new ATOM 400 N LEU B 6 2.879 5.249 -7.315 1.00 0.00 N ATOM 401 CA LEU B 6 2.242 4.079 -7.988 1.00 0.00 C ATOM 402 C LEU B 6 0.795 4.308 -8.434 1.00 0.00 C ATOM 403 O LEU B 6 0.031 3.372 -8.475 1.00 0.00 O ATOM 404 CB LEU B 6 2.268 2.983 -6.927 1.00 0.00 C ATOM 405 CG LEU B 6 3.702 2.705 -6.500 1.00 0.00 C ATOM 406 CD1 LEU B 6 3.702 1.930 -5.182 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.381 1.872 -7.575 1.00 0.00 C ATOM 0 H LEU B 6 2.507 5.479 -6.394 1.00 0.00 H new ATOM 0 HA LEU B 6 2.781 3.848 -8.907 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.675 3.287 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.814 2.073 -7.321 1.00 0.00 H new ATOM 0 HG LEU B 6 4.236 3.645 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.729 1.731 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.203 2.520 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.174 0.986 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.410 1.666 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.844 0.932 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.376 2.420 -8.517 1.00 0.00 H new ATOM 419 N CYS B 7 0.418 5.506 -8.783 1.00 0.00 N ATOM 420 CA CYS B 7 -0.993 5.768 -9.240 1.00 0.00 C ATOM 421 C CYS B 7 -1.777 4.474 -9.496 1.00 0.00 C ATOM 422 O CYS B 7 -1.391 3.649 -10.295 1.00 0.00 O ATOM 423 CB CYS B 7 -0.848 6.587 -10.516 1.00 0.00 C ATOM 424 SG CYS B 7 -0.306 8.242 -10.072 1.00 0.00 S ATOM 0 H CYS B 7 1.024 6.326 -8.774 1.00 0.00 H new ATOM 0 HA CYS B 7 -1.563 6.292 -8.473 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -0.127 6.119 -11.187 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -1.798 6.630 -11.049 1.00 0.00 H new ATOM 429 N GLY B 8 -2.859 4.312 -8.775 1.00 0.00 N ATOM 430 CA GLY B 8 -3.740 3.099 -8.864 1.00 0.00 C ATOM 431 C GLY B 8 -3.218 2.018 -9.832 1.00 0.00 C ATOM 432 O GLY B 8 -2.884 0.930 -9.408 1.00 0.00 O ATOM 0 H GLY B 8 -3.183 5.002 -8.097 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -3.844 2.664 -7.870 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.736 3.408 -9.182 1.00 0.00 H new ATOM 436 N SER B 9 -3.162 2.268 -11.122 1.00 0.00 N ATOM 437 CA SER B 9 -2.685 1.203 -12.046 1.00 0.00 C ATOM 438 C SER B 9 -1.296 0.721 -11.648 1.00 0.00 C ATOM 439 O SER B 9 -0.968 -0.448 -11.772 1.00 0.00 O ATOM 440 CB SER B 9 -2.654 1.856 -13.426 1.00 0.00 C ATOM 441 OG SER B 9 -3.604 1.220 -14.270 1.00 0.00 O ATOM 0 H SER B 9 -3.423 3.150 -11.563 1.00 0.00 H new ATOM 0 HA SER B 9 -3.333 0.327 -12.023 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.879 2.919 -13.343 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.656 1.774 -13.857 1.00 0.00 H new ATOM 0 HG SER B 9 -3.587 1.639 -15.156 1.00 0.00 H new ATOM 447 N HIS B 10 -0.482 1.591 -11.136 1.00 0.00 N ATOM 448 CA HIS B 10 0.865 1.144 -10.716 1.00 0.00 C ATOM 449 C HIS B 10 0.711 0.482 -9.364 1.00 0.00 C ATOM 450 O HIS B 10 1.330 -0.514 -9.062 1.00 0.00 O ATOM 451 CB HIS B 10 1.710 2.410 -10.623 1.00 0.00 C ATOM 452 CG HIS B 10 2.527 2.572 -11.878 1.00 0.00 C ATOM 453 ND1 HIS B 10 1.981 2.428 -13.144 1.00 0.00 N ATOM 454 CD2 HIS B 10 3.852 2.871 -12.074 1.00 0.00 C ATOM 455 CE1 HIS B 10 2.966 2.641 -14.037 1.00 0.00 C ATOM 456 NE2 HIS B 10 4.127 2.915 -13.437 1.00 0.00 N ATOM 0 H HIS B 10 -0.687 2.580 -10.991 1.00 0.00 H new ATOM 0 HA HIS B 10 1.332 0.435 -11.400 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.066 3.278 -10.483 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.367 2.357 -9.755 1.00 0.00 H new ATOM 0 HD2 HIS B 10 4.572 3.046 -11.289 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.833 2.596 -15.108 1.00 0.00 H new ATOM 0 HE2 HIS B 10 5.023 3.114 -13.882 1.00 0.00 H new ATOM 464 N LEU B 11 -0.141 1.025 -8.551 1.00 0.00 N ATOM 465 CA LEU B 11 -0.367 0.414 -7.224 1.00 0.00 C ATOM 466 C LEU B 11 -0.925 -0.979 -7.396 1.00 0.00 C ATOM 467 O LEU B 11 -0.402 -1.932 -6.861 1.00 0.00 O ATOM 468 CB LEU B 11 -1.407 1.274 -6.533 1.00 0.00 C ATOM 469 CG LEU B 11 -0.695 2.372 -5.762 1.00 0.00 C ATOM 470 CD1 LEU B 11 -1.722 3.273 -5.085 1.00 0.00 C ATOM 471 CD2 LEU B 11 0.189 1.714 -4.707 1.00 0.00 C ATOM 0 H LEU B 11 -0.689 1.863 -8.748 1.00 0.00 H new ATOM 0 HA LEU B 11 0.560 0.354 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -2.087 1.707 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.010 0.668 -5.857 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.090 2.977 -6.437 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -1.208 4.060 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.367 3.722 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -2.327 2.682 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.712 2.484 -4.139 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.429 1.122 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU B 11 0.917 1.066 -5.195 1.00 0.00 H new ATOM 483 N VAL B 12 -1.997 -1.122 -8.131 1.00 0.00 N ATOM 484 CA VAL B 12 -2.557 -2.468 -8.281 1.00 0.00 C ATOM 485 C VAL B 12 -1.448 -3.410 -8.749 1.00 0.00 C ATOM 486 O VAL B 12 -1.473 -4.592 -8.479 1.00 0.00 O ATOM 487 CB VAL B 12 -3.686 -2.323 -9.307 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.749 -3.543 -10.225 1.00 0.00 C ATOM 489 CG2 VAL B 12 -5.021 -2.178 -8.572 1.00 0.00 C ATOM 0 H VAL B 12 -2.490 -0.374 -8.619 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.950 -2.888 -7.355 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.491 -1.439 -9.915 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.558 -3.416 -10.944 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.804 -3.647 -10.757 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.930 -4.438 -9.629 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -5.827 -2.075 -9.299 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -5.197 -3.062 -7.959 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -4.991 -1.294 -7.935 1.00 0.00 H new ATOM 499 N GLU B 13 -0.462 -2.891 -9.435 1.00 0.00 N ATOM 500 CA GLU B 13 0.647 -3.768 -9.898 1.00 0.00 C ATOM 501 C GLU B 13 1.790 -3.781 -8.871 1.00 0.00 C ATOM 502 O GLU B 13 2.612 -4.682 -8.850 1.00 0.00 O ATOM 503 CB GLU B 13 1.089 -3.176 -11.252 1.00 0.00 C ATOM 504 CG GLU B 13 2.252 -2.185 -11.083 1.00 0.00 C ATOM 505 CD GLU B 13 3.541 -2.810 -11.622 1.00 0.00 C ATOM 506 OE1 GLU B 13 3.514 -3.312 -12.735 1.00 0.00 O ATOM 507 OE2 GLU B 13 4.534 -2.775 -10.915 1.00 0.00 O ATOM 0 H GLU B 13 -0.380 -1.907 -9.691 1.00 0.00 H new ATOM 0 HA GLU B 13 0.340 -4.808 -10.008 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.391 -3.982 -11.921 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.245 -2.671 -11.722 1.00 0.00 H new ATOM 0 HG2 GLU B 13 2.034 -1.259 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU B 13 2.373 -1.927 -10.031 1.00 0.00 H new ATOM 514 N ALA B 14 1.836 -2.808 -7.999 1.00 0.00 N ATOM 515 CA ALA B 14 2.916 -2.784 -6.979 1.00 0.00 C ATOM 516 C ALA B 14 2.368 -3.348 -5.684 1.00 0.00 C ATOM 517 O ALA B 14 3.099 -3.725 -4.791 1.00 0.00 O ATOM 518 CB ALA B 14 3.287 -1.308 -6.810 1.00 0.00 C ATOM 0 H ALA B 14 1.174 -2.034 -7.952 1.00 0.00 H new ATOM 0 HA ALA B 14 3.786 -3.375 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.081 -1.215 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.632 -0.908 -7.764 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.413 -0.749 -6.477 1.00 0.00 H new ATOM 524 N LEU B 15 1.077 -3.414 -5.585 1.00 0.00 N ATOM 525 CA LEU B 15 0.458 -3.961 -4.367 1.00 0.00 C ATOM 526 C LEU B 15 0.224 -5.452 -4.586 1.00 0.00 C ATOM 527 O LEU B 15 0.212 -6.236 -3.659 1.00 0.00 O ATOM 528 CB LEU B 15 -0.816 -3.137 -4.251 1.00 0.00 C ATOM 529 CG LEU B 15 -1.944 -3.902 -3.557 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.396 -4.721 -2.387 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.972 -2.903 -3.024 1.00 0.00 C ATOM 0 H LEU B 15 0.422 -3.108 -6.305 1.00 0.00 H new ATOM 0 HA LEU B 15 1.043 -3.895 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.605 -2.223 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -1.143 -2.837 -5.246 1.00 0.00 H new ATOM 0 HG LEU B 15 -2.407 -4.577 -4.277 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -2.213 -5.259 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.659 -5.435 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.925 -4.054 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -3.779 -3.442 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -2.492 -2.232 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -3.378 -2.322 -3.852 1.00 0.00 H new ATOM 543 N TYR B 16 0.115 -5.864 -5.823 1.00 0.00 N ATOM 544 CA TYR B 16 -0.036 -7.315 -6.095 1.00 0.00 C ATOM 545 C TYR B 16 1.350 -7.949 -6.025 1.00 0.00 C ATOM 546 O TYR B 16 1.525 -9.046 -5.533 1.00 0.00 O ATOM 547 CB TYR B 16 -0.611 -7.417 -7.519 1.00 0.00 C ATOM 548 CG TYR B 16 0.351 -8.159 -8.441 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.529 -9.544 -8.303 1.00 0.00 C ATOM 550 CD2 TYR B 16 1.064 -7.460 -9.423 1.00 0.00 C ATOM 551 CE1 TYR B 16 1.414 -10.225 -9.150 1.00 0.00 C ATOM 552 CE2 TYR B 16 1.949 -8.141 -10.268 1.00 0.00 C ATOM 553 CZ TYR B 16 2.124 -9.524 -10.132 1.00 0.00 C ATOM 554 OH TYR B 16 2.997 -10.195 -10.965 1.00 0.00 O ATOM 0 H TYR B 16 0.124 -5.261 -6.646 1.00 0.00 H new ATOM 0 HA TYR B 16 -0.687 -7.822 -5.383 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.569 -7.936 -7.493 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -0.800 -6.418 -7.912 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -0.016 -10.085 -7.544 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.931 -6.393 -9.529 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.548 -11.291 -9.045 1.00 0.00 H new ATOM 0 HE2 TYR B 16 2.497 -7.600 -11.025 1.00 0.00 H new ATOM 0 HH TYR B 16 3.406 -9.560 -11.589 1.00 0.00 H new ATOM 564 N LEU B 17 2.335 -7.264 -6.547 1.00 0.00 N ATOM 565 CA LEU B 17 3.700 -7.840 -6.539 1.00 0.00 C ATOM 566 C LEU B 17 4.201 -7.848 -5.118 1.00 0.00 C ATOM 567 O LEU B 17 5.047 -8.633 -4.737 1.00 0.00 O ATOM 568 CB LEU B 17 4.588 -6.841 -7.289 1.00 0.00 C ATOM 569 CG LEU B 17 5.490 -7.503 -8.363 1.00 0.00 C ATOM 570 CD1 LEU B 17 5.437 -9.034 -8.306 1.00 0.00 C ATOM 571 CD2 LEU B 17 5.040 -7.036 -9.747 1.00 0.00 C ATOM 0 H LEU B 17 2.249 -6.341 -6.973 1.00 0.00 H new ATOM 0 HA LEU B 17 3.709 -8.840 -6.972 1.00 0.00 H new ATOM 0 HB2 LEU B 17 3.956 -6.093 -7.767 1.00 0.00 H new ATOM 0 HB3 LEU B 17 5.217 -6.315 -6.571 1.00 0.00 H new ATOM 0 HG LEU B 17 6.519 -7.202 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU B 17 6.085 -9.449 -9.078 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.775 -9.374 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU B 17 4.413 -9.369 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.669 -7.497 -10.509 1.00 0.00 H new ATOM 0 HD22 LEU B 17 4.002 -7.326 -9.909 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.128 -5.951 -9.811 1.00 0.00 H new ATOM 583 N VAL B 18 3.740 -6.906 -4.347 1.00 0.00 N ATOM 584 CA VAL B 18 4.259 -6.799 -2.984 1.00 0.00 C ATOM 585 C VAL B 18 3.449 -7.641 -1.995 1.00 0.00 C ATOM 586 O VAL B 18 3.935 -8.029 -0.952 1.00 0.00 O ATOM 587 CB VAL B 18 4.168 -5.308 -2.634 1.00 0.00 C ATOM 588 CG1 VAL B 18 2.748 -4.958 -2.177 1.00 0.00 C ATOM 589 CG2 VAL B 18 5.155 -4.991 -1.508 1.00 0.00 C ATOM 0 H VAL B 18 3.034 -6.218 -4.609 1.00 0.00 H new ATOM 0 HA VAL B 18 5.280 -7.176 -2.921 1.00 0.00 H new ATOM 0 HB VAL B 18 4.412 -4.719 -3.518 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.696 -3.897 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.043 -5.180 -2.978 1.00 0.00 H new ATOM 0 HG13 VAL B 18 2.494 -5.547 -1.296 1.00 0.00 H new ATOM 0 HG21 VAL B 18 5.093 -3.932 -1.257 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.908 -5.587 -0.629 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.168 -5.228 -1.835 1.00 0.00 H new ATOM 599 N CYS B 19 2.210 -7.903 -2.303 1.00 0.00 N ATOM 600 CA CYS B 19 1.361 -8.692 -1.367 1.00 0.00 C ATOM 601 C CYS B 19 0.339 -9.528 -2.147 1.00 0.00 C ATOM 602 O CYS B 19 -0.850 -9.432 -1.912 1.00 0.00 O ATOM 603 CB CYS B 19 0.640 -7.632 -0.537 1.00 0.00 C ATOM 604 SG CYS B 19 1.449 -7.460 1.074 1.00 0.00 S ATOM 0 H CYS B 19 1.748 -7.605 -3.162 1.00 0.00 H new ATOM 0 HA CYS B 19 1.943 -9.386 -0.760 1.00 0.00 H new ATOM 0 HB2 CYS B 19 0.649 -6.677 -1.063 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -0.405 -7.911 -0.402 1.00 0.00 H new ATOM 609 N GLY B 20 0.771 -10.340 -3.080 1.00 0.00 N ATOM 610 CA GLY B 20 -0.204 -11.147 -3.854 1.00 0.00 C ATOM 611 C GLY B 20 -0.448 -12.478 -3.142 1.00 0.00 C ATOM 612 O GLY B 20 -0.278 -12.590 -1.943 1.00 0.00 O ATOM 0 H GLY B 20 1.750 -10.474 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -1.142 -10.601 -3.958 1.00 0.00 H new ATOM 0 HA3 GLY B 20 0.174 -11.325 -4.861 1.00 0.00 H new ATOM 616 N GLU B 21 -0.853 -13.484 -3.868 1.00 0.00 N ATOM 617 CA GLU B 21 -1.119 -14.806 -3.229 1.00 0.00 C ATOM 618 C GLU B 21 -1.860 -14.602 -1.912 1.00 0.00 C ATOM 619 O GLU B 21 -1.544 -15.198 -0.901 1.00 0.00 O ATOM 620 CB GLU B 21 0.258 -15.424 -2.988 1.00 0.00 C ATOM 621 CG GLU B 21 0.874 -15.844 -4.324 1.00 0.00 C ATOM 622 CD GLU B 21 1.717 -17.103 -4.123 1.00 0.00 C ATOM 623 OE1 GLU B 21 1.293 -17.963 -3.368 1.00 0.00 O ATOM 624 OE2 GLU B 21 2.774 -17.187 -4.726 1.00 0.00 O ATOM 0 H GLU B 21 -1.011 -13.449 -4.875 1.00 0.00 H new ATOM 0 HA GLU B 21 -1.741 -15.451 -3.850 1.00 0.00 H new ATOM 0 HB2 GLU B 21 0.907 -14.706 -2.487 1.00 0.00 H new ATOM 0 HB3 GLU B 21 0.170 -16.288 -2.329 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.088 -16.032 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU B 21 1.492 -15.039 -4.721 1.00 0.00 H new ATOM 631 N ARG B 22 -2.846 -13.758 -1.929 1.00 0.00 N ATOM 632 CA ARG B 22 -3.634 -13.483 -0.694 1.00 0.00 C ATOM 633 C ARG B 22 -4.671 -12.393 -0.967 1.00 0.00 C ATOM 634 O ARG B 22 -5.672 -12.287 -0.287 1.00 0.00 O ATOM 635 CB ARG B 22 -2.611 -12.997 0.337 1.00 0.00 C ATOM 636 CG ARG B 22 -2.986 -13.529 1.722 1.00 0.00 C ATOM 637 CD ARG B 22 -2.049 -14.679 2.102 1.00 0.00 C ATOM 638 NE ARG B 22 -1.872 -14.558 3.576 1.00 0.00 N ATOM 639 CZ ARG B 22 -2.721 -15.131 4.385 1.00 0.00 C ATOM 640 NH1 ARG B 22 -2.988 -16.403 4.259 1.00 0.00 N ATOM 641 NH2 ARG B 22 -3.301 -14.432 5.321 1.00 0.00 N ATOM 0 H ARG B 22 -3.146 -13.239 -2.754 1.00 0.00 H new ATOM 0 HA ARG B 22 -4.174 -14.364 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -1.613 -13.339 0.063 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -2.582 -11.907 0.350 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -2.916 -12.730 2.461 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -4.020 -13.874 1.722 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -2.479 -15.644 1.834 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -1.095 -14.599 1.582 1.00 0.00 H new ATOM 0 HE ARG B 22 -1.087 -14.027 3.953 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -2.533 -16.950 3.528 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -3.652 -16.850 4.892 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -3.091 -13.439 5.420 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -3.965 -14.879 5.954 1.00 0.00 H new ATOM 655 N GLY B 23 -4.436 -11.580 -1.958 1.00 0.00 N ATOM 656 CA GLY B 23 -5.402 -10.493 -2.278 1.00 0.00 C ATOM 657 C GLY B 23 -5.358 -9.435 -1.173 1.00 0.00 C ATOM 658 O GLY B 23 -4.721 -9.615 -0.156 1.00 0.00 O ATOM 0 H GLY B 23 -3.615 -11.621 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -5.154 -10.042 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -6.409 -10.900 -2.367 1.00 0.00 H new ATOM 662 N PHE B 24 -6.028 -8.334 -1.364 1.00 0.00 N ATOM 663 CA PHE B 24 -6.020 -7.272 -0.321 1.00 0.00 C ATOM 664 C PHE B 24 -7.341 -6.503 -0.344 1.00 0.00 C ATOM 665 O PHE B 24 -8.274 -6.866 -1.030 1.00 0.00 O ATOM 666 CB PHE B 24 -4.855 -6.346 -0.687 1.00 0.00 C ATOM 667 CG PHE B 24 -4.799 -6.152 -2.185 1.00 0.00 C ATOM 668 CD1 PHE B 24 -5.662 -5.242 -2.809 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.882 -6.887 -2.952 1.00 0.00 C ATOM 670 CE1 PHE B 24 -5.610 -5.064 -4.199 1.00 0.00 C ATOM 671 CE2 PHE B 24 -3.830 -6.709 -4.342 1.00 0.00 C ATOM 672 CZ PHE B 24 -4.693 -5.799 -4.964 1.00 0.00 C ATOM 0 H PHE B 24 -6.580 -8.124 -2.196 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.905 -7.685 0.681 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -4.976 -5.383 -0.192 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -3.916 -6.771 -0.332 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -6.368 -4.677 -2.219 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.217 -7.589 -2.472 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -6.275 -4.362 -4.680 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.124 -7.274 -4.933 1.00 0.00 H new ATOM 0 HZ PHE B 24 -4.652 -5.663 -6.035 1.00 0.00 H new ATOM 682 N PHE B 25 -7.422 -5.442 0.403 1.00 0.00 N ATOM 683 CA PHE B 25 -8.679 -4.645 0.428 1.00 0.00 C ATOM 684 C PHE B 25 -8.400 -3.210 -0.021 1.00 0.00 C ATOM 685 O PHE B 25 -8.175 -2.328 0.784 1.00 0.00 O ATOM 686 CB PHE B 25 -9.143 -4.672 1.883 1.00 0.00 C ATOM 687 CG PHE B 25 -10.459 -3.944 1.994 1.00 0.00 C ATOM 688 CD1 PHE B 25 -11.481 -4.208 1.071 1.00 0.00 C ATOM 689 CD2 PHE B 25 -10.660 -3.002 3.011 1.00 0.00 C ATOM 690 CE1 PHE B 25 -12.702 -3.532 1.166 1.00 0.00 C ATOM 691 CE2 PHE B 25 -11.883 -2.323 3.106 1.00 0.00 C ATOM 692 CZ PHE B 25 -12.905 -2.589 2.182 1.00 0.00 C ATOM 0 H PHE B 25 -6.672 -5.090 0.999 1.00 0.00 H new ATOM 0 HA PHE B 25 -9.436 -5.048 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -9.253 -5.702 2.224 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -8.398 -4.202 2.524 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -11.325 -4.934 0.286 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -9.873 -2.799 3.722 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -13.489 -3.737 0.455 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -12.038 -1.596 3.889 1.00 0.00 H new ATOM 0 HZ PHE B 25 -13.848 -2.067 2.254 1.00 0.00 H new ATOM 702 N TYR B 26 -8.412 -2.971 -1.301 1.00 0.00 N ATOM 703 CA TYR B 26 -8.147 -1.596 -1.806 1.00 0.00 C ATOM 704 C TYR B 26 -8.903 -1.378 -3.128 1.00 0.00 C ATOM 705 O TYR B 26 -8.551 -1.930 -4.152 1.00 0.00 O ATOM 706 CB TYR B 26 -6.618 -1.543 -1.999 1.00 0.00 C ATOM 707 CG TYR B 26 -6.277 -0.945 -3.344 1.00 0.00 C ATOM 708 CD1 TYR B 26 -6.664 0.366 -3.639 1.00 0.00 C ATOM 709 CD2 TYR B 26 -5.593 -1.708 -4.298 1.00 0.00 C ATOM 710 CE1 TYR B 26 -6.368 0.918 -4.890 1.00 0.00 C ATOM 711 CE2 TYR B 26 -5.297 -1.158 -5.551 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.685 0.157 -5.847 1.00 0.00 C ATOM 713 OH TYR B 26 -5.394 0.700 -7.081 1.00 0.00 O ATOM 0 H TYR B 26 -8.594 -3.670 -2.021 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.485 -0.811 -1.129 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.165 -0.949 -1.205 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.201 -2.547 -1.924 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -7.191 0.952 -2.901 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -5.294 -2.720 -4.068 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -6.666 1.931 -5.118 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -4.771 -1.745 -6.289 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.734 1.618 -7.123 1.00 0.00 H new ATOM 723 N THR B 27 -9.939 -0.585 -3.110 1.00 0.00 N ATOM 724 CA THR B 27 -10.713 -0.343 -4.366 1.00 0.00 C ATOM 725 C THR B 27 -11.556 0.933 -4.242 1.00 0.00 C ATOM 726 O THR B 27 -12.727 0.930 -4.567 1.00 0.00 O ATOM 727 CB THR B 27 -11.616 -1.572 -4.520 1.00 0.00 C ATOM 728 OG1 THR B 27 -12.703 -1.254 -5.378 1.00 0.00 O ATOM 729 CG2 THR B 27 -12.151 -1.999 -3.152 1.00 0.00 C ATOM 0 H THR B 27 -10.284 -0.095 -2.285 1.00 0.00 H new ATOM 0 HA THR B 27 -10.061 -0.204 -5.228 1.00 0.00 H new ATOM 0 HB THR B 27 -11.039 -2.391 -4.949 1.00 0.00 H new ATOM 0 HG1 THR B 27 -13.290 -0.606 -4.936 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.792 -2.873 -3.269 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.316 -2.246 -2.496 1.00 0.00 H new ATOM 0 HG23 THR B 27 -12.726 -1.183 -2.715 1.00 0.00 H new ATOM 737 N PRO B 28 -10.937 1.993 -3.777 1.00 0.00 N ATOM 738 CA PRO B 28 -11.657 3.285 -3.620 1.00 0.00 C ATOM 739 C PRO B 28 -12.004 3.884 -4.989 1.00 0.00 C ATOM 740 O PRO B 28 -12.638 4.916 -5.081 1.00 0.00 O ATOM 741 CB PRO B 28 -10.656 4.165 -2.877 1.00 0.00 C ATOM 742 CG PRO B 28 -9.322 3.580 -3.203 1.00 0.00 C ATOM 743 CD PRO B 28 -9.533 2.097 -3.356 1.00 0.00 C ATOM 0 HA PRO B 28 -12.604 3.183 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -10.723 5.203 -3.203 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -10.841 4.155 -1.803 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -8.922 4.012 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -8.602 3.790 -2.412 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -8.859 1.670 -4.098 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -9.354 1.567 -2.420 1.00 0.00 H new ATOM 751 N LYS B 29 -11.599 3.243 -6.055 1.00 0.00 N ATOM 752 CA LYS B 29 -11.909 3.772 -7.416 1.00 0.00 C ATOM 753 C LYS B 29 -11.111 5.049 -7.689 1.00 0.00 C ATOM 754 O LYS B 29 -10.831 5.822 -6.794 1.00 0.00 O ATOM 755 CB LYS B 29 -13.410 4.075 -7.405 1.00 0.00 C ATOM 756 CG LYS B 29 -14.107 3.240 -8.479 1.00 0.00 C ATOM 757 CD LYS B 29 -15.420 2.687 -7.921 1.00 0.00 C ATOM 758 CE LYS B 29 -16.489 3.780 -7.957 1.00 0.00 C ATOM 759 NZ LYS B 29 -17.160 3.703 -6.630 1.00 0.00 N ATOM 0 H LYS B 29 -11.066 2.374 -6.041 1.00 0.00 H new ATOM 0 HA LYS B 29 -11.645 3.058 -8.196 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -13.830 3.850 -6.425 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -13.579 5.136 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.302 3.851 -9.360 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -13.460 2.422 -8.795 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -15.744 1.827 -8.508 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.275 2.339 -6.898 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -16.045 4.762 -8.119 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.198 3.613 -8.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.908 4.424 -6.577 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.579 2.759 -6.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.462 3.872 -5.878 1.00 0.00 H new ATOM 773 N THR B 30 -10.747 5.274 -8.921 1.00 0.00 N ATOM 774 CA THR B 30 -9.970 6.501 -9.257 1.00 0.00 C ATOM 775 C THR B 30 -10.580 7.717 -8.556 1.00 0.00 C ATOM 776 O THR B 30 -9.824 8.503 -8.011 1.00 0.00 O ATOM 777 CB THR B 30 -10.091 6.638 -10.775 1.00 0.00 C ATOM 778 OG1 THR B 30 -10.127 5.346 -11.365 1.00 0.00 O ATOM 779 CG2 THR B 30 -8.890 7.416 -11.316 1.00 0.00 C ATOM 780 OXT THR B 30 -11.793 7.839 -8.576 1.00 0.00 O ATOM 0 H THR B 30 -10.954 4.662 -9.710 1.00 0.00 H new ATOM 0 HA THR B 30 -8.931 6.437 -8.935 1.00 0.00 H new ATOM 0 HB THR B 30 -11.008 7.174 -11.020 1.00 0.00 H new ATOM 0 HG1 THR B 30 -10.206 5.433 -12.338 1.00 0.00 H new ATOM 0 HG21 THR B 30 -8.977 7.513 -12.398 1.00 0.00 H new ATOM 0 HG22 THR B 30 -8.865 8.407 -10.863 1.00 0.00 H new ATOM 0 HG23 THR B 30 -7.971 6.883 -11.072 1.00 0.00 H new TER 788 THR B 30