USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 379 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= 0 X(o=-0.34,f=-0.34) USER MOD Set 1.2: A 15 GLN : amide:sc= -0.338 K(o=-0.34,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ 126:sc= 0.066 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.39 K(o=-0.39,f=-3!) USER MOD Single : A 19 TYR OH : rot 128:sc= -1.76! USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc=-0.00305 K(o=-0.003,f=-1.8!) USER MOD Single : B 4 GLN : amide:sc= -0.0891 X(o=-0.089,f=-0.39) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -1.57 F(o=-2.6,f=-1.6) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0101 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0081) USER MOD Single : B 16 HIS :FLIP no HD1:sc= -2.37 F(o=-5!,f=-2.4) USER MOD Single : B 26 TYR OH : rot 180:sc= -3.48! USER MOD Single : B 27 THR OG1 : rot -61:sc= 1.14 USER MOD Single : B 29 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.00787) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.963 6.583 8.156 1.00 0.00 N ATOM 2 CA GLY A 1 -2.680 6.237 6.733 1.00 0.00 C ATOM 3 C GLY A 1 -1.441 5.347 6.666 1.00 0.00 C ATOM 4 O GLY A 1 -0.601 5.361 7.544 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.027 7.616 8.256 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.863 6.151 8.446 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.196 6.224 8.760 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.535 5.723 6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.522 7.145 6.151 1.00 0.00 H new ATOM 10 N ILE A 2 -1.328 4.563 5.632 1.00 0.00 N ATOM 11 CA ILE A 2 -0.155 3.658 5.504 1.00 0.00 C ATOM 12 C ILE A 2 0.973 4.365 4.746 1.00 0.00 C ATOM 13 O ILE A 2 2.060 3.845 4.606 1.00 0.00 O ATOM 14 CB ILE A 2 -0.606 2.392 4.760 1.00 0.00 C ATOM 15 CG1 ILE A 2 0.126 1.176 5.329 1.00 0.00 C ATOM 16 CG2 ILE A 2 -0.322 2.503 3.256 1.00 0.00 C ATOM 17 CD1 ILE A 2 -0.188 -0.066 4.487 1.00 0.00 C ATOM 0 H ILE A 2 -2.001 4.510 4.867 1.00 0.00 H new ATOM 0 HA ILE A 2 0.226 3.387 6.488 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.681 2.278 4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.201 1.359 5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.176 1.010 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -0.652 1.593 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.860 3.358 2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.748 2.638 3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.337 -0.927 4.899 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.262 -0.254 4.503 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.137 0.099 3.460 1.00 0.00 H new ATOM 29 N VAL A 3 0.715 5.541 4.246 1.00 0.00 N ATOM 30 CA VAL A 3 1.766 6.272 3.486 1.00 0.00 C ATOM 31 C VAL A 3 2.910 6.668 4.423 1.00 0.00 C ATOM 32 O VAL A 3 4.062 6.668 4.040 1.00 0.00 O ATOM 33 CB VAL A 3 1.156 7.525 2.863 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.251 8.325 2.157 1.00 0.00 C ATOM 35 CG2 VAL A 3 0.089 7.110 1.847 1.00 0.00 C ATOM 0 H VAL A 3 -0.178 6.027 4.331 1.00 0.00 H new ATOM 0 HA VAL A 3 2.159 5.626 2.701 1.00 0.00 H new ATOM 0 HB VAL A 3 0.703 8.141 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.818 9.220 1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.015 8.613 2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.703 7.713 1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.351 8.000 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.546 6.499 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.688 6.535 2.350 1.00 0.00 H new ATOM 45 N GLU A 4 2.603 7.010 5.645 1.00 0.00 N ATOM 46 CA GLU A 4 3.678 7.409 6.597 1.00 0.00 C ATOM 47 C GLU A 4 4.399 6.163 7.125 1.00 0.00 C ATOM 48 O GLU A 4 5.255 6.251 7.983 1.00 0.00 O ATOM 49 CB GLU A 4 3.065 8.175 7.772 1.00 0.00 C ATOM 50 CG GLU A 4 2.392 9.450 7.259 1.00 0.00 C ATOM 51 CD GLU A 4 0.872 9.307 7.378 1.00 0.00 C ATOM 52 OE1 GLU A 4 0.414 8.195 7.580 1.00 0.00 O ATOM 53 OE2 GLU A 4 0.193 10.314 7.265 1.00 0.00 O ATOM 0 H GLU A 4 1.656 7.030 6.024 1.00 0.00 H new ATOM 0 HA GLU A 4 4.394 8.046 6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.336 7.549 8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.838 8.427 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.733 10.311 7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.671 9.629 6.221 1.00 0.00 H new ATOM 60 N GLN A 5 4.061 5.005 6.627 1.00 0.00 N ATOM 61 CA GLN A 5 4.732 3.762 7.111 1.00 0.00 C ATOM 62 C GLN A 5 5.337 2.999 5.929 1.00 0.00 C ATOM 63 O GLN A 5 6.233 2.195 6.092 1.00 0.00 O ATOM 64 CB GLN A 5 3.706 2.873 7.816 1.00 0.00 C ATOM 65 CG GLN A 5 3.155 3.600 9.043 1.00 0.00 C ATOM 66 CD GLN A 5 2.289 2.638 9.860 1.00 0.00 C ATOM 67 OE1 GLN A 5 2.663 2.236 10.944 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.139 2.251 9.381 1.00 0.00 N ATOM 0 H GLN A 5 3.351 4.864 5.908 1.00 0.00 H new ATOM 0 HA GLN A 5 5.526 4.032 7.807 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.894 2.625 7.133 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.169 1.933 8.115 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.975 3.977 9.654 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.566 4.463 8.733 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.826 2.589 8.471 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.553 1.610 9.916 1.00 0.00 H new ATOM 77 N CYS A 6 4.855 3.239 4.742 1.00 0.00 N ATOM 78 CA CYS A 6 5.401 2.524 3.555 1.00 0.00 C ATOM 79 C CYS A 6 6.173 3.506 2.675 1.00 0.00 C ATOM 80 O CYS A 6 7.218 3.190 2.141 1.00 0.00 O ATOM 81 CB CYS A 6 4.251 1.921 2.751 1.00 0.00 C ATOM 82 SG CYS A 6 3.378 0.706 3.768 1.00 0.00 S ATOM 0 H CYS A 6 4.105 3.901 4.542 1.00 0.00 H new ATOM 0 HA CYS A 6 6.070 1.731 3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.565 2.706 2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.634 1.447 1.847 1.00 0.00 H new ATOM 87 N CYS A 7 5.666 4.698 2.513 1.00 0.00 N ATOM 88 CA CYS A 7 6.374 5.697 1.667 1.00 0.00 C ATOM 89 C CYS A 7 7.546 6.287 2.453 1.00 0.00 C ATOM 90 O CYS A 7 8.690 5.963 2.213 1.00 0.00 O ATOM 91 CB CYS A 7 5.401 6.813 1.274 1.00 0.00 C ATOM 92 SG CYS A 7 6.321 8.186 0.535 1.00 0.00 S ATOM 0 H CYS A 7 4.793 5.022 2.930 1.00 0.00 H new ATOM 0 HA CYS A 7 6.750 5.213 0.766 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.663 6.434 0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.854 7.158 2.151 1.00 0.00 H new ATOM 97 N THR A 8 7.270 7.155 3.389 1.00 0.00 N ATOM 98 CA THR A 8 8.374 7.763 4.186 1.00 0.00 C ATOM 99 C THR A 8 9.372 6.675 4.584 1.00 0.00 C ATOM 100 O THR A 8 10.566 6.819 4.412 1.00 0.00 O ATOM 101 CB THR A 8 7.796 8.419 5.444 1.00 0.00 C ATOM 102 OG1 THR A 8 7.419 7.412 6.371 1.00 0.00 O ATOM 103 CG2 THR A 8 6.573 9.257 5.068 1.00 0.00 C ATOM 0 H THR A 8 6.331 7.468 3.636 1.00 0.00 H new ATOM 0 HA THR A 8 8.883 8.519 3.588 1.00 0.00 H new ATOM 0 HB THR A 8 8.549 9.064 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.051 7.831 7.177 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.162 9.723 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.866 10.030 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.818 8.615 4.614 1.00 0.00 H new ATOM 111 N SER A 9 8.891 5.582 5.112 1.00 0.00 N ATOM 112 CA SER A 9 9.810 4.481 5.516 1.00 0.00 C ATOM 113 C SER A 9 9.577 3.274 4.605 1.00 0.00 C ATOM 114 O SER A 9 9.097 3.403 3.498 1.00 0.00 O ATOM 115 CB SER A 9 9.533 4.088 6.967 1.00 0.00 C ATOM 116 OG SER A 9 10.764 4.004 7.673 1.00 0.00 O ATOM 0 H SER A 9 7.901 5.404 5.281 1.00 0.00 H new ATOM 0 HA SER A 9 10.844 4.815 5.426 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.880 4.824 7.437 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.013 3.131 7.004 1.00 0.00 H new ATOM 0 HG SER A 9 10.590 3.754 8.605 1.00 0.00 H new ATOM 122 N ILE A 10 9.914 2.099 5.062 1.00 0.00 N ATOM 123 CA ILE A 10 9.710 0.888 4.221 1.00 0.00 C ATOM 124 C ILE A 10 8.913 -0.151 5.012 1.00 0.00 C ATOM 125 O ILE A 10 9.440 -0.834 5.866 1.00 0.00 O ATOM 126 CB ILE A 10 11.068 0.310 3.827 1.00 0.00 C ATOM 127 CG1 ILE A 10 11.774 1.283 2.880 1.00 0.00 C ATOM 128 CG2 ILE A 10 10.869 -1.033 3.123 1.00 0.00 C ATOM 129 CD1 ILE A 10 13.021 0.621 2.292 1.00 0.00 C ATOM 0 H ILE A 10 10.321 1.926 5.981 1.00 0.00 H new ATOM 0 HA ILE A 10 9.158 1.155 3.320 1.00 0.00 H new ATOM 0 HB ILE A 10 11.675 0.162 4.720 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.097 1.581 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.052 2.190 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.839 -1.444 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.362 -1.725 3.796 1.00 0.00 H new ATOM 0 HG23 ILE A 10 10.264 -0.889 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.520 1.318 1.619 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.701 0.346 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.732 -0.273 1.740 1.00 0.00 H new ATOM 141 N CYS A 11 7.642 -0.271 4.736 1.00 0.00 N ATOM 142 CA CYS A 11 6.809 -1.262 5.473 1.00 0.00 C ATOM 143 C CYS A 11 6.874 -2.616 4.762 1.00 0.00 C ATOM 144 O CYS A 11 7.556 -2.777 3.770 1.00 0.00 O ATOM 145 CB CYS A 11 5.356 -0.779 5.513 1.00 0.00 C ATOM 146 SG CYS A 11 4.642 -0.867 3.851 1.00 0.00 S ATOM 0 H CYS A 11 7.145 0.275 4.032 1.00 0.00 H new ATOM 0 HA CYS A 11 7.187 -1.367 6.490 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.777 -1.394 6.202 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.312 0.245 5.885 1.00 0.00 H new ATOM 151 N SER A 12 6.166 -3.592 5.263 1.00 0.00 N ATOM 152 CA SER A 12 6.184 -4.935 4.619 1.00 0.00 C ATOM 153 C SER A 12 4.832 -5.191 3.947 1.00 0.00 C ATOM 154 O SER A 12 3.887 -4.450 4.132 1.00 0.00 O ATOM 155 CB SER A 12 6.435 -6.003 5.685 1.00 0.00 C ATOM 156 OG SER A 12 5.883 -5.574 6.921 1.00 0.00 O ATOM 0 H SER A 12 5.576 -3.516 6.091 1.00 0.00 H new ATOM 0 HA SER A 12 6.976 -4.974 3.871 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.985 -6.948 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.505 -6.180 5.794 1.00 0.00 H new ATOM 0 HG SER A 12 6.041 -6.258 7.605 1.00 0.00 H new ATOM 162 N LEU A 13 4.729 -6.236 3.169 1.00 0.00 N ATOM 163 CA LEU A 13 3.435 -6.531 2.494 1.00 0.00 C ATOM 164 C LEU A 13 2.399 -6.942 3.541 1.00 0.00 C ATOM 165 O LEU A 13 1.224 -7.063 3.253 1.00 0.00 O ATOM 166 CB LEU A 13 3.628 -7.669 1.489 1.00 0.00 C ATOM 167 CG LEU A 13 2.470 -7.666 0.487 1.00 0.00 C ATOM 168 CD1 LEU A 13 2.678 -6.547 -0.534 1.00 0.00 C ATOM 169 CD2 LEU A 13 2.420 -9.014 -0.237 1.00 0.00 C ATOM 0 H LEU A 13 5.483 -6.895 2.973 1.00 0.00 H new ATOM 0 HA LEU A 13 3.088 -5.642 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.576 -7.549 0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.670 -8.626 2.010 1.00 0.00 H new ATOM 0 HG LEU A 13 1.532 -7.502 1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.853 -6.546 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.714 -5.587 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.616 -6.709 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.596 -9.013 -0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.359 -9.178 -0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.270 -9.812 0.490 1.00 0.00 H new ATOM 181 N TYR A 14 2.823 -7.158 4.757 1.00 0.00 N ATOM 182 CA TYR A 14 1.861 -7.561 5.822 1.00 0.00 C ATOM 183 C TYR A 14 0.968 -6.367 6.174 1.00 0.00 C ATOM 184 O TYR A 14 -0.167 -6.529 6.577 1.00 0.00 O ATOM 185 CB TYR A 14 2.639 -8.013 7.064 1.00 0.00 C ATOM 186 CG TYR A 14 1.715 -8.068 8.259 1.00 0.00 C ATOM 187 CD1 TYR A 14 0.410 -8.552 8.113 1.00 0.00 C ATOM 188 CD2 TYR A 14 2.164 -7.633 9.511 1.00 0.00 C ATOM 189 CE1 TYR A 14 -0.447 -8.603 9.221 1.00 0.00 C ATOM 190 CE2 TYR A 14 1.308 -7.683 10.619 1.00 0.00 C ATOM 191 CZ TYR A 14 0.003 -8.168 10.472 1.00 0.00 C ATOM 192 OH TYR A 14 -0.841 -8.216 11.563 1.00 0.00 O ATOM 0 H TYR A 14 3.794 -7.073 5.059 1.00 0.00 H new ATOM 0 HA TYR A 14 1.240 -8.384 5.468 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.081 -8.994 6.890 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.460 -7.324 7.260 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.063 -8.886 7.146 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.171 -7.259 9.623 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.454 -8.978 9.109 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.655 -7.348 11.585 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.372 -7.878 12.354 1.00 0.00 H new ATOM 202 N GLN A 15 1.473 -5.174 6.026 1.00 0.00 N ATOM 203 CA GLN A 15 0.652 -3.974 6.355 1.00 0.00 C ATOM 204 C GLN A 15 -0.361 -3.718 5.237 1.00 0.00 C ATOM 205 O GLN A 15 -1.404 -3.135 5.458 1.00 0.00 O ATOM 206 CB GLN A 15 1.565 -2.757 6.509 1.00 0.00 C ATOM 207 CG GLN A 15 2.509 -2.973 7.691 1.00 0.00 C ATOM 208 CD GLN A 15 2.764 -1.640 8.396 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.193 -0.629 8.034 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.601 -1.593 9.396 1.00 0.00 N ATOM 0 H GLN A 15 2.417 -4.978 5.692 1.00 0.00 H new ATOM 0 HA GLN A 15 0.118 -4.148 7.289 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.139 -2.602 5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.968 -1.859 6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.075 -3.688 8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.451 -3.398 7.344 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.080 -2.440 9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.776 -0.709 9.873 1.00 0.00 H new ATOM 219 N LEU A 16 -0.070 -4.146 4.038 1.00 0.00 N ATOM 220 CA LEU A 16 -1.032 -3.916 2.921 1.00 0.00 C ATOM 221 C LEU A 16 -2.181 -4.916 3.023 1.00 0.00 C ATOM 222 O LEU A 16 -3.236 -4.724 2.450 1.00 0.00 O ATOM 223 CB LEU A 16 -0.321 -4.086 1.571 1.00 0.00 C ATOM 224 CG LEU A 16 0.805 -3.051 1.402 1.00 0.00 C ATOM 225 CD1 LEU A 16 0.760 -2.511 -0.024 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.635 -1.880 2.374 1.00 0.00 C ATOM 0 H LEU A 16 0.785 -4.641 3.784 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.424 -2.901 2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.092 -5.092 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.042 -3.978 0.761 1.00 0.00 H new ATOM 0 HG LEU A 16 1.758 -3.538 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.553 -1.775 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.901 -3.331 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.206 -2.040 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.446 -1.166 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.319 -1.387 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.657 -2.251 3.399 1.00 0.00 H new ATOM 238 N GLU A 17 -1.993 -5.980 3.753 1.00 0.00 N ATOM 239 CA GLU A 17 -3.083 -6.982 3.893 1.00 0.00 C ATOM 240 C GLU A 17 -4.247 -6.343 4.650 1.00 0.00 C ATOM 241 O GLU A 17 -5.392 -6.706 4.477 1.00 0.00 O ATOM 242 CB GLU A 17 -2.566 -8.195 4.670 1.00 0.00 C ATOM 243 CG GLU A 17 -1.388 -8.815 3.914 1.00 0.00 C ATOM 244 CD GLU A 17 -0.884 -10.046 4.669 1.00 0.00 C ATOM 245 OE1 GLU A 17 -1.710 -10.777 5.189 1.00 0.00 O ATOM 246 OE2 GLU A 17 0.321 -10.236 4.714 1.00 0.00 O ATOM 0 H GLU A 17 -1.133 -6.198 4.257 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.418 -7.306 2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.254 -7.895 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.362 -8.930 4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.696 -9.095 2.907 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.585 -8.085 3.811 1.00 0.00 H new ATOM 253 N ASN A 18 -3.957 -5.380 5.487 1.00 0.00 N ATOM 254 CA ASN A 18 -5.042 -4.706 6.252 1.00 0.00 C ATOM 255 C ASN A 18 -5.870 -3.846 5.295 1.00 0.00 C ATOM 256 O ASN A 18 -6.988 -3.475 5.587 1.00 0.00 O ATOM 257 CB ASN A 18 -4.423 -3.817 7.332 1.00 0.00 C ATOM 258 CG ASN A 18 -5.010 -4.184 8.696 1.00 0.00 C ATOM 259 OD1 ASN A 18 -6.007 -4.875 8.774 1.00 0.00 O ATOM 260 ND2 ASN A 18 -4.431 -3.749 9.781 1.00 0.00 N ATOM 0 H ASN A 18 -3.016 -5.033 5.672 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.683 -5.453 6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.340 -3.943 7.345 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.619 -2.768 7.111 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.815 -3.989 10.695 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.594 -3.169 9.715 1.00 0.00 H new ATOM 267 N TYR A 19 -5.325 -3.528 4.150 1.00 0.00 N ATOM 268 CA TYR A 19 -6.073 -2.693 3.170 1.00 0.00 C ATOM 269 C TYR A 19 -6.989 -3.586 2.328 1.00 0.00 C ATOM 270 O TYR A 19 -7.087 -3.428 1.130 1.00 0.00 O ATOM 271 CB TYR A 19 -5.077 -1.975 2.255 1.00 0.00 C ATOM 272 CG TYR A 19 -4.684 -0.660 2.876 1.00 0.00 C ATOM 273 CD1 TYR A 19 -5.451 0.487 2.644 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.551 -0.595 3.690 1.00 0.00 C ATOM 275 CE1 TYR A 19 -5.084 1.705 3.233 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.185 0.619 4.275 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.952 1.769 4.048 1.00 0.00 C ATOM 278 OH TYR A 19 -3.592 2.968 4.630 1.00 0.00 O ATOM 0 H TYR A 19 -4.392 -3.812 3.853 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.677 -1.958 3.703 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.194 -2.596 2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.523 -1.808 1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -6.325 0.434 2.012 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.960 -1.481 3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.675 2.591 3.057 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.309 0.671 4.904 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.470 2.840 5.594 1.00 0.00 H new ATOM 288 N CYS A 20 -7.662 -4.520 2.941 1.00 0.00 N ATOM 289 CA CYS A 20 -8.568 -5.414 2.164 1.00 0.00 C ATOM 290 C CYS A 20 -9.989 -5.318 2.723 1.00 0.00 C ATOM 291 O CYS A 20 -10.206 -5.413 3.916 1.00 0.00 O ATOM 292 CB CYS A 20 -8.078 -6.860 2.271 1.00 0.00 C ATOM 293 SG CYS A 20 -6.337 -6.948 1.786 1.00 0.00 S ATOM 0 H CYS A 20 -7.625 -4.703 3.944 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.567 -5.105 1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.200 -7.221 3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.678 -7.506 1.630 1.00 0.00 H new ATOM 298 N ASN A 21 -10.960 -5.134 1.870 1.00 0.00 N ATOM 299 CA ASN A 21 -12.367 -5.036 2.352 1.00 0.00 C ATOM 300 C ASN A 21 -12.783 -6.363 2.991 1.00 0.00 C ATOM 301 O ASN A 21 -13.071 -6.361 4.176 1.00 0.00 O ATOM 302 CB ASN A 21 -13.288 -4.727 1.169 1.00 0.00 C ATOM 303 CG ASN A 21 -13.687 -3.252 1.199 1.00 0.00 C ATOM 304 OD1 ASN A 21 -14.445 -2.832 2.051 1.00 0.00 O ATOM 305 ND2 ASN A 21 -13.205 -2.439 0.299 1.00 0.00 N ATOM 306 OXT ASN A 21 -12.807 -7.355 2.283 1.00 0.00 O ATOM 0 H ASN A 21 -10.840 -5.047 0.861 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.444 -4.239 3.092 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.782 -4.958 0.232 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.177 -5.355 1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.465 -1.453 0.311 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.569 -2.790 -0.417 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.778 -6.483 -5.742 1.00 0.00 N ATOM 315 CA PHE B 1 5.930 -7.282 -4.494 1.00 0.00 C ATOM 316 C PHE B 1 7.375 -7.181 -3.994 1.00 0.00 C ATOM 317 O PHE B 1 8.153 -8.103 -4.133 1.00 0.00 O ATOM 318 CB PHE B 1 5.585 -8.749 -4.780 1.00 0.00 C ATOM 319 CG PHE B 1 6.083 -9.620 -3.652 1.00 0.00 C ATOM 320 CD1 PHE B 1 5.450 -9.578 -2.403 1.00 0.00 C ATOM 321 CD2 PHE B 1 7.181 -10.464 -3.851 1.00 0.00 C ATOM 322 CE1 PHE B 1 5.915 -10.382 -1.356 1.00 0.00 C ATOM 323 CE2 PHE B 1 7.649 -11.266 -2.803 1.00 0.00 C ATOM 324 CZ PHE B 1 7.014 -11.225 -1.555 1.00 0.00 C ATOM 0 H1 PHE B 1 4.797 -6.552 -6.081 1.00 0.00 H new ATOM 0 H2 PHE B 1 6.008 -5.488 -5.547 1.00 0.00 H new ATOM 0 H3 PHE B 1 6.423 -6.851 -6.470 1.00 0.00 H new ATOM 0 HA PHE B 1 5.256 -6.894 -3.730 1.00 0.00 H new ATOM 0 HB2 PHE B 1 4.507 -8.864 -4.892 1.00 0.00 H new ATOM 0 HB3 PHE B 1 6.038 -9.062 -5.721 1.00 0.00 H new ATOM 0 HD1 PHE B 1 4.603 -8.925 -2.248 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.668 -10.497 -4.814 1.00 0.00 H new ATOM 0 HE1 PHE B 1 5.425 -10.352 -0.394 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.498 -11.915 -2.957 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.373 -11.844 -0.746 1.00 0.00 H new ATOM 336 N VAL B 2 7.736 -6.071 -3.414 1.00 0.00 N ATOM 337 CA VAL B 2 9.128 -5.917 -2.905 1.00 0.00 C ATOM 338 C VAL B 2 9.166 -4.809 -1.851 1.00 0.00 C ATOM 339 O VAL B 2 8.587 -3.755 -2.024 1.00 0.00 O ATOM 340 CB VAL B 2 10.058 -5.554 -4.065 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.464 -5.284 -3.528 1.00 0.00 C ATOM 342 CG2 VAL B 2 10.104 -6.715 -5.061 1.00 0.00 C ATOM 0 H VAL B 2 7.129 -5.264 -3.270 1.00 0.00 H new ATOM 0 HA VAL B 2 9.457 -6.854 -2.457 1.00 0.00 H new ATOM 0 HB VAL B 2 9.685 -4.660 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.126 -5.026 -4.355 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.430 -4.457 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.840 -6.176 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.766 -6.459 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.477 -7.609 -4.561 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.102 -6.906 -5.444 1.00 0.00 H new ATOM 352 N ASN B 3 9.844 -5.040 -0.760 1.00 0.00 N ATOM 353 CA ASN B 3 9.918 -4.003 0.308 1.00 0.00 C ATOM 354 C ASN B 3 10.555 -2.733 -0.260 1.00 0.00 C ATOM 355 O ASN B 3 11.757 -2.646 -0.420 1.00 0.00 O ATOM 356 CB ASN B 3 10.765 -4.526 1.470 1.00 0.00 C ATOM 357 CG ASN B 3 9.930 -5.493 2.312 1.00 0.00 C ATOM 358 OD1 ASN B 3 8.846 -5.876 1.922 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.392 -5.904 3.460 1.00 0.00 N ATOM 0 H ASN B 3 10.350 -5.903 -0.562 1.00 0.00 H new ATOM 0 HA ASN B 3 8.914 -3.776 0.666 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.653 -5.031 1.089 1.00 0.00 H new ATOM 0 HB3 ASN B 3 11.110 -3.695 2.086 1.00 0.00 H new ATOM 0 HD21 ASN B 3 9.843 -6.547 4.030 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.303 -5.582 3.788 1.00 0.00 H new ATOM 366 N GLN B 4 9.758 -1.747 -0.568 1.00 0.00 N ATOM 367 CA GLN B 4 10.314 -0.482 -1.129 1.00 0.00 C ATOM 368 C GLN B 4 9.433 0.695 -0.700 1.00 0.00 C ATOM 369 O GLN B 4 8.430 0.520 -0.040 1.00 0.00 O ATOM 370 CB GLN B 4 10.338 -0.576 -2.658 1.00 0.00 C ATOM 371 CG GLN B 4 11.282 0.486 -3.224 1.00 0.00 C ATOM 372 CD GLN B 4 11.906 -0.023 -4.526 1.00 0.00 C ATOM 373 OE1 GLN B 4 12.407 -1.127 -4.582 1.00 0.00 O ATOM 374 NE2 GLN B 4 11.895 0.744 -5.583 1.00 0.00 N ATOM 0 H GLN B 4 8.744 -1.762 -0.455 1.00 0.00 H new ATOM 0 HA GLN B 4 11.327 -0.329 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN B 4 10.665 -1.569 -2.966 1.00 0.00 H new ATOM 0 HB3 GLN B 4 9.334 -0.434 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN B 4 10.736 1.411 -3.408 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.064 0.716 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN B 4 11.474 1.672 -5.536 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.308 0.415 -6.456 1.00 0.00 H new ATOM 383 N HIS B 5 9.800 1.892 -1.071 1.00 0.00 N ATOM 384 CA HIS B 5 8.980 3.074 -0.686 1.00 0.00 C ATOM 385 C HIS B 5 7.727 3.119 -1.564 1.00 0.00 C ATOM 386 O HIS B 5 7.789 2.902 -2.758 1.00 0.00 O ATOM 387 CB HIS B 5 9.800 4.350 -0.887 1.00 0.00 C ATOM 388 CG HIS B 5 10.972 4.342 0.056 1.00 0.00 C ATOM 389 ND1 HIS B 5 11.279 5.121 1.147 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 12.014 3.436 -0.064 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 12.488 4.705 1.696 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 12.888 3.688 0.929 1.00 0.00 N flip ATOM 0 H HIS B 5 10.632 2.101 -1.623 1.00 0.00 H new ATOM 0 HA HIS B 5 8.689 2.998 0.362 1.00 0.00 H new ATOM 0 HB2 HIS B 5 10.149 4.413 -1.918 1.00 0.00 H new ATOM 0 HB3 HIS B 5 9.179 5.227 -0.706 1.00 0.00 H new ATOM 0 HD1 HIS B 5 10.707 5.888 1.500 1.00 0.00 H new ATOM 0 HD2 HIS B 5 12.108 2.668 -0.817 1.00 0.00 H new ATOM 0 HE1 HIS B 5 12.994 5.116 2.557 1.00 0.00 H new ATOM 400 N LEU B 6 6.586 3.379 -0.982 1.00 0.00 N ATOM 401 CA LEU B 6 5.335 3.418 -1.792 1.00 0.00 C ATOM 402 C LEU B 6 4.634 4.767 -1.626 1.00 0.00 C ATOM 403 O LEU B 6 3.870 4.972 -0.705 1.00 0.00 O ATOM 404 CB LEU B 6 4.402 2.299 -1.326 1.00 0.00 C ATOM 405 CG LEU B 6 5.032 0.945 -1.646 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.281 -0.156 -0.897 1.00 0.00 C ATOM 407 CD2 LEU B 6 4.943 0.687 -3.152 1.00 0.00 C ATOM 0 H LEU B 6 6.467 3.565 0.014 1.00 0.00 H new ATOM 0 HA LEU B 6 5.587 3.281 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.221 2.384 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.435 2.388 -1.820 1.00 0.00 H new ATOM 0 HG LEU B 6 6.077 0.947 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.730 -1.123 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.341 0.028 0.176 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.236 -0.159 -1.207 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.392 -0.279 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.897 0.684 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU B 6 5.476 1.472 -3.688 1.00 0.00 H new ATOM 419 N CYS B 7 4.880 5.684 -2.521 1.00 0.00 N ATOM 420 CA CYS B 7 4.218 7.018 -2.429 1.00 0.00 C ATOM 421 C CYS B 7 3.385 7.260 -3.687 1.00 0.00 C ATOM 422 O CYS B 7 3.491 6.543 -4.661 1.00 0.00 O ATOM 423 CB CYS B 7 5.271 8.112 -2.303 1.00 0.00 C ATOM 424 SG CYS B 7 5.016 9.021 -0.759 1.00 0.00 S ATOM 0 H CYS B 7 5.512 5.568 -3.313 1.00 0.00 H new ATOM 0 HA CYS B 7 3.573 7.037 -1.551 1.00 0.00 H new ATOM 0 HB2 CYS B 7 6.269 7.674 -2.319 1.00 0.00 H new ATOM 0 HB3 CYS B 7 5.208 8.792 -3.152 1.00 0.00 H new ATOM 429 N GLY B 8 2.554 8.265 -3.673 1.00 0.00 N ATOM 430 CA GLY B 8 1.714 8.551 -4.871 1.00 0.00 C ATOM 431 C GLY B 8 0.778 7.369 -5.128 1.00 0.00 C ATOM 432 O GLY B 8 0.207 6.807 -4.216 1.00 0.00 O ATOM 0 H GLY B 8 2.420 8.900 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY B 8 1.134 9.461 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY B 8 2.348 8.723 -5.741 1.00 0.00 H new ATOM 436 N SER B 9 0.615 6.988 -6.366 1.00 0.00 N ATOM 437 CA SER B 9 -0.283 5.842 -6.680 1.00 0.00 C ATOM 438 C SER B 9 0.516 4.537 -6.654 1.00 0.00 C ATOM 439 O SER B 9 0.066 3.513 -7.129 1.00 0.00 O ATOM 440 CB SER B 9 -0.894 6.040 -8.066 1.00 0.00 C ATOM 441 OG SER B 9 0.145 6.290 -9.006 1.00 0.00 O ATOM 0 H SER B 9 1.065 7.421 -7.173 1.00 0.00 H new ATOM 0 HA SER B 9 -1.077 5.791 -5.935 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.458 5.154 -8.357 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.595 6.874 -8.051 1.00 0.00 H new ATOM 0 HG SER B 9 -0.243 6.416 -9.897 1.00 0.00 H new ATOM 447 N HIS B 10 1.700 4.564 -6.105 1.00 0.00 N ATOM 448 CA HIS B 10 2.524 3.325 -6.051 1.00 0.00 C ATOM 449 C HIS B 10 1.995 2.408 -4.947 1.00 0.00 C ATOM 450 O HIS B 10 1.842 1.218 -5.136 1.00 0.00 O ATOM 451 CB HIS B 10 3.980 3.692 -5.754 1.00 0.00 C ATOM 452 CG HIS B 10 4.679 4.045 -7.036 1.00 0.00 C ATOM 453 ND1 HIS B 10 4.405 5.214 -7.730 1.00 0.00 N ATOM 454 CD2 HIS B 10 5.643 3.392 -7.766 1.00 0.00 C ATOM 455 CE1 HIS B 10 5.189 5.229 -8.824 1.00 0.00 C ATOM 456 NE2 HIS B 10 5.964 4.143 -8.893 1.00 0.00 N ATOM 0 H HIS B 10 2.131 5.391 -5.692 1.00 0.00 H new ATOM 0 HA HIS B 10 2.467 2.810 -7.010 1.00 0.00 H new ATOM 0 HB2 HIS B 10 4.020 4.533 -5.062 1.00 0.00 H new ATOM 0 HB3 HIS B 10 4.485 2.856 -5.270 1.00 0.00 H new ATOM 0 HD2 HIS B 10 6.084 2.441 -7.505 1.00 0.00 H new ATOM 0 HE1 HIS B 10 5.191 6.022 -9.557 1.00 0.00 H new ATOM 0 HE2 HIS B 10 6.645 3.913 -9.617 1.00 0.00 H new ATOM 464 N LEU B 11 1.712 2.951 -3.795 1.00 0.00 N ATOM 465 CA LEU B 11 1.192 2.106 -2.684 1.00 0.00 C ATOM 466 C LEU B 11 -0.122 1.456 -3.116 1.00 0.00 C ATOM 467 O LEU B 11 -0.412 0.328 -2.771 1.00 0.00 O ATOM 468 CB LEU B 11 0.951 2.971 -1.446 1.00 0.00 C ATOM 469 CG LEU B 11 1.214 2.142 -0.188 1.00 0.00 C ATOM 470 CD1 LEU B 11 1.835 3.031 0.887 1.00 0.00 C ATOM 471 CD2 LEU B 11 -0.109 1.559 0.326 1.00 0.00 C ATOM 0 H LEU B 11 1.818 3.941 -3.575 1.00 0.00 H new ATOM 0 HA LEU B 11 1.922 1.333 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU B 11 1.606 3.842 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -0.074 3.343 -1.442 1.00 0.00 H new ATOM 0 HG LEU B 11 1.900 1.329 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU B 11 2.023 2.440 1.784 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.775 3.443 0.520 1.00 0.00 H new ATOM 0 HD13 LEU B 11 1.151 3.845 1.125 1.00 0.00 H new ATOM 0 HD21 LEU B 11 0.078 0.968 1.223 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -0.797 2.371 0.563 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.549 0.923 -0.442 1.00 0.00 H new ATOM 483 N VAL B 12 -0.916 2.157 -3.878 1.00 0.00 N ATOM 484 CA VAL B 12 -2.206 1.575 -4.339 1.00 0.00 C ATOM 485 C VAL B 12 -1.915 0.365 -5.226 1.00 0.00 C ATOM 486 O VAL B 12 -2.654 -0.599 -5.243 1.00 0.00 O ATOM 487 CB VAL B 12 -2.985 2.622 -5.135 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.193 1.964 -5.805 1.00 0.00 C ATOM 489 CG2 VAL B 12 -3.465 3.721 -4.186 1.00 0.00 C ATOM 0 H VAL B 12 -0.727 3.106 -4.200 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.801 1.266 -3.479 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.339 3.053 -5.900 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.747 2.712 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -3.852 1.178 -6.478 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.842 1.533 -5.043 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -4.021 4.470 -4.749 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.111 3.286 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.605 4.190 -3.708 1.00 0.00 H new ATOM 499 N GLU B 13 -0.837 0.407 -5.958 1.00 0.00 N ATOM 500 CA GLU B 13 -0.488 -0.741 -6.839 1.00 0.00 C ATOM 501 C GLU B 13 -0.148 -1.952 -5.969 1.00 0.00 C ATOM 502 O GLU B 13 -0.224 -3.083 -6.406 1.00 0.00 O ATOM 503 CB GLU B 13 0.717 -0.372 -7.707 1.00 0.00 C ATOM 504 CG GLU B 13 0.316 0.729 -8.690 1.00 0.00 C ATOM 505 CD GLU B 13 1.450 0.961 -9.692 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.566 1.183 -9.252 1.00 0.00 O ATOM 507 OE2 GLU B 13 1.183 0.912 -10.881 1.00 0.00 O ATOM 0 H GLU B 13 -0.182 1.188 -5.984 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.332 -0.981 -7.485 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.541 -0.032 -7.079 1.00 0.00 H new ATOM 0 HB3 GLU B 13 1.070 -1.249 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.596 0.446 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU B 13 0.100 1.651 -8.150 1.00 0.00 H new ATOM 514 N ALA B 14 0.220 -1.724 -4.735 1.00 0.00 N ATOM 515 CA ALA B 14 0.555 -2.863 -3.835 1.00 0.00 C ATOM 516 C ALA B 14 -0.660 -3.183 -2.962 1.00 0.00 C ATOM 517 O ALA B 14 -0.723 -4.211 -2.319 1.00 0.00 O ATOM 518 CB ALA B 14 1.741 -2.485 -2.945 1.00 0.00 C ATOM 0 H ALA B 14 0.302 -0.799 -4.314 1.00 0.00 H new ATOM 0 HA ALA B 14 0.820 -3.736 -4.431 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.984 -3.320 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.604 -2.251 -3.569 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.481 -1.614 -2.344 1.00 0.00 H new ATOM 524 N LEU B 15 -1.629 -2.308 -2.941 1.00 0.00 N ATOM 525 CA LEU B 15 -2.843 -2.558 -2.116 1.00 0.00 C ATOM 526 C LEU B 15 -3.759 -3.535 -2.854 1.00 0.00 C ATOM 527 O LEU B 15 -4.232 -4.504 -2.294 1.00 0.00 O ATOM 528 CB LEU B 15 -3.585 -1.236 -1.889 1.00 0.00 C ATOM 529 CG LEU B 15 -2.847 -0.407 -0.838 1.00 0.00 C ATOM 530 CD1 LEU B 15 -3.626 0.883 -0.567 1.00 0.00 C ATOM 531 CD2 LEU B 15 -2.729 -1.213 0.458 1.00 0.00 C ATOM 0 H LEU B 15 -1.631 -1.430 -3.461 1.00 0.00 H new ATOM 0 HA LEU B 15 -2.553 -2.982 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.652 -0.680 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.606 -1.432 -1.561 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.850 -0.160 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -3.100 1.475 0.182 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.710 1.458 -1.489 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.623 0.636 -0.201 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -2.203 -0.622 1.207 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -3.725 -1.460 0.825 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -2.175 -2.132 0.266 1.00 0.00 H new ATOM 543 N HIS B 16 -4.012 -3.287 -4.111 1.00 0.00 N ATOM 544 CA HIS B 16 -4.896 -4.199 -4.889 1.00 0.00 C ATOM 545 C HIS B 16 -4.188 -5.541 -5.094 1.00 0.00 C ATOM 546 O HIS B 16 -4.807 -6.586 -5.129 1.00 0.00 O ATOM 547 CB HIS B 16 -5.217 -3.559 -6.248 1.00 0.00 C ATOM 548 CG HIS B 16 -4.071 -3.762 -7.202 1.00 0.00 C ATOM 549 ND1 HIS B 16 -2.764 -3.347 -7.161 1.00 0.00 N flip ATOM 550 CD2 HIS B 16 -4.206 -4.478 -8.381 1.00 0.00 C flip ATOM 551 CE1 HIS B 16 -2.094 -3.797 -8.296 1.00 0.00 C flip ATOM 552 NE2 HIS B 16 -3.009 -4.473 -8.996 1.00 0.00 N flip ATOM 0 H HIS B 16 -3.644 -2.491 -4.632 1.00 0.00 H new ATOM 0 HA HIS B 16 -5.825 -4.366 -4.344 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -6.125 -3.999 -6.660 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -5.409 -2.494 -6.120 1.00 0.00 H new ATOM 0 HD2 HIS B 16 -5.107 -4.953 -8.740 1.00 0.00 H new ATOM 0 HE1 HIS B 16 -1.058 -3.634 -8.554 1.00 0.00 H new ATOM 0 HE2 HIS B 16 -2.823 -4.930 -9.889 1.00 0.00 H new ATOM 560 N LEU B 17 -2.890 -5.518 -5.230 1.00 0.00 N ATOM 561 CA LEU B 17 -2.136 -6.785 -5.434 1.00 0.00 C ATOM 562 C LEU B 17 -2.258 -7.663 -4.187 1.00 0.00 C ATOM 563 O LEU B 17 -2.340 -8.872 -4.271 1.00 0.00 O ATOM 564 CB LEU B 17 -0.660 -6.465 -5.687 1.00 0.00 C ATOM 565 CG LEU B 17 0.058 -7.722 -6.187 1.00 0.00 C ATOM 566 CD1 LEU B 17 -0.589 -8.196 -7.490 1.00 0.00 C ATOM 567 CD2 LEU B 17 1.533 -7.397 -6.438 1.00 0.00 C ATOM 0 H LEU B 17 -2.319 -4.673 -5.208 1.00 0.00 H new ATOM 0 HA LEU B 17 -2.548 -7.316 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.571 -5.666 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -0.192 -6.107 -4.770 1.00 0.00 H new ATOM 0 HG LEU B 17 -0.020 -8.509 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -0.078 -9.091 -7.846 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -1.640 -8.425 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -0.511 -7.411 -8.242 1.00 0.00 H new ATOM 0 HD21 LEU B 17 2.047 -8.290 -6.794 1.00 0.00 H new ATOM 0 HD22 LEU B 17 1.610 -6.611 -7.189 1.00 0.00 H new ATOM 0 HD23 LEU B 17 1.994 -7.059 -5.510 1.00 0.00 H new ATOM 579 N VAL B 18 -2.271 -7.064 -3.026 1.00 0.00 N ATOM 580 CA VAL B 18 -2.386 -7.866 -1.777 1.00 0.00 C ATOM 581 C VAL B 18 -3.814 -8.397 -1.642 1.00 0.00 C ATOM 582 O VAL B 18 -4.036 -9.584 -1.512 1.00 0.00 O ATOM 583 CB VAL B 18 -2.052 -6.987 -0.572 1.00 0.00 C ATOM 584 CG1 VAL B 18 -2.251 -7.786 0.718 1.00 0.00 C ATOM 585 CG2 VAL B 18 -0.595 -6.531 -0.665 1.00 0.00 C ATOM 0 H VAL B 18 -2.207 -6.055 -2.890 1.00 0.00 H new ATOM 0 HA VAL B 18 -1.689 -8.703 -1.818 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.709 -6.118 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -2.012 -7.157 1.576 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -3.288 -8.114 0.786 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -1.595 -8.656 0.712 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.355 -5.904 0.193 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.059 -7.403 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -0.450 -5.961 -1.583 1.00 0.00 H new ATOM 595 N CYS B 19 -4.784 -7.527 -1.673 1.00 0.00 N ATOM 596 CA CYS B 19 -6.195 -7.981 -1.546 1.00 0.00 C ATOM 597 C CYS B 19 -6.672 -8.541 -2.888 1.00 0.00 C ATOM 598 O CYS B 19 -6.872 -9.730 -3.041 1.00 0.00 O ATOM 599 CB CYS B 19 -7.076 -6.797 -1.146 1.00 0.00 C ATOM 600 SG CYS B 19 -6.227 -5.816 0.116 1.00 0.00 S ATOM 0 H CYS B 19 -4.660 -6.520 -1.781 1.00 0.00 H new ATOM 0 HA CYS B 19 -6.261 -8.757 -0.784 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -7.292 -6.180 -2.018 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -8.032 -7.154 -0.763 1.00 0.00 H new ATOM 605 N GLY B 20 -6.851 -7.694 -3.863 1.00 0.00 N ATOM 606 CA GLY B 20 -7.314 -8.179 -5.194 1.00 0.00 C ATOM 607 C GLY B 20 -8.776 -7.785 -5.406 1.00 0.00 C ATOM 608 O GLY B 20 -9.155 -6.645 -5.219 1.00 0.00 O ATOM 0 H GLY B 20 -6.697 -6.688 -3.796 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -6.694 -7.753 -5.983 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -7.207 -9.262 -5.255 1.00 0.00 H new ATOM 612 N GLU B 21 -9.600 -8.718 -5.799 1.00 0.00 N ATOM 613 CA GLU B 21 -11.036 -8.398 -6.023 1.00 0.00 C ATOM 614 C GLU B 21 -11.640 -7.815 -4.744 1.00 0.00 C ATOM 615 O GLU B 21 -12.435 -6.898 -4.784 1.00 0.00 O ATOM 616 CB GLU B 21 -11.791 -9.672 -6.408 1.00 0.00 C ATOM 617 CG GLU B 21 -13.085 -9.303 -7.136 1.00 0.00 C ATOM 618 CD GLU B 21 -12.788 -9.067 -8.619 1.00 0.00 C ATOM 619 OE1 GLU B 21 -12.365 -10.005 -9.274 1.00 0.00 O ATOM 620 OE2 GLU B 21 -12.986 -7.953 -9.074 1.00 0.00 O ATOM 0 H GLU B 21 -9.339 -9.688 -5.974 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.120 -7.668 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -11.168 -10.297 -7.048 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -12.018 -10.256 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -13.818 -10.102 -7.024 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -13.520 -8.407 -6.694 1.00 0.00 H new ATOM 627 N ARG B 22 -11.268 -8.338 -3.608 1.00 0.00 N ATOM 628 CA ARG B 22 -11.823 -7.807 -2.332 1.00 0.00 C ATOM 629 C ARG B 22 -11.771 -6.281 -2.355 1.00 0.00 C ATOM 630 O ARG B 22 -12.643 -5.610 -1.839 1.00 0.00 O ATOM 631 CB ARG B 22 -10.992 -8.330 -1.157 1.00 0.00 C ATOM 632 CG ARG B 22 -11.233 -9.830 -0.985 1.00 0.00 C ATOM 633 CD ARG B 22 -9.897 -10.542 -0.762 1.00 0.00 C ATOM 634 NE ARG B 22 -9.502 -10.417 0.670 1.00 0.00 N ATOM 635 CZ ARG B 22 -8.565 -11.183 1.162 1.00 0.00 C ATOM 636 NH1 ARG B 22 -7.966 -12.061 0.402 1.00 0.00 N ATOM 637 NH2 ARG B 22 -8.222 -11.069 2.416 1.00 0.00 N ATOM 0 H ARG B 22 -10.606 -9.108 -3.509 1.00 0.00 H new ATOM 0 HA ARG B 22 -12.856 -8.135 -2.218 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -9.933 -8.140 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -11.263 -7.801 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -11.897 -10.007 -0.139 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -11.728 -10.233 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -9.982 -11.593 -1.037 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -9.129 -10.107 -1.402 1.00 0.00 H new ATOM 0 HE ARG B 22 -9.965 -9.732 1.267 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -8.229 -12.150 -0.579 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -7.235 -12.657 0.790 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -8.685 -10.382 3.011 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -7.491 -11.667 2.801 1.00 0.00 H new ATOM 651 N GLY B 23 -10.751 -5.723 -2.950 1.00 0.00 N ATOM 652 CA GLY B 23 -10.640 -4.239 -3.006 1.00 0.00 C ATOM 653 C GLY B 23 -9.836 -3.743 -1.805 1.00 0.00 C ATOM 654 O GLY B 23 -9.419 -4.511 -0.964 1.00 0.00 O ATOM 0 H GLY B 23 -9.990 -6.232 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.154 -3.935 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.633 -3.789 -3.004 1.00 0.00 H new ATOM 658 N PHE B 24 -9.613 -2.459 -1.719 1.00 0.00 N ATOM 659 CA PHE B 24 -8.834 -1.919 -0.572 1.00 0.00 C ATOM 660 C PHE B 24 -9.276 -0.485 -0.280 1.00 0.00 C ATOM 661 O PHE B 24 -9.420 0.326 -1.176 1.00 0.00 O ATOM 662 CB PHE B 24 -7.343 -1.932 -0.916 1.00 0.00 C ATOM 663 CG PHE B 24 -7.118 -1.267 -2.248 1.00 0.00 C ATOM 664 CD1 PHE B 24 -7.217 -2.016 -3.426 1.00 0.00 C ATOM 665 CD2 PHE B 24 -6.800 0.095 -2.309 1.00 0.00 C ATOM 666 CE1 PHE B 24 -7.003 -1.401 -4.664 1.00 0.00 C ATOM 667 CE2 PHE B 24 -6.584 0.710 -3.547 1.00 0.00 C ATOM 668 CZ PHE B 24 -6.686 -0.038 -4.727 1.00 0.00 C ATOM 0 H PHE B 24 -9.936 -1.764 -2.392 1.00 0.00 H new ATOM 0 HA PHE B 24 -9.011 -2.538 0.307 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -6.778 -1.414 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -6.977 -2.958 -0.946 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -7.458 -3.068 -3.379 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -6.721 0.672 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -7.082 -1.978 -5.573 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -6.339 1.761 -3.593 1.00 0.00 H new ATOM 0 HZ PHE B 24 -6.521 0.435 -5.684 1.00 0.00 H new ATOM 678 N PHE B 25 -9.483 -0.161 0.966 1.00 0.00 N ATOM 679 CA PHE B 25 -9.904 1.225 1.312 1.00 0.00 C ATOM 680 C PHE B 25 -8.656 2.080 1.532 1.00 0.00 C ATOM 681 O PHE B 25 -8.273 2.365 2.648 1.00 0.00 O ATOM 682 CB PHE B 25 -10.756 1.219 2.587 1.00 0.00 C ATOM 683 CG PHE B 25 -10.219 0.198 3.562 1.00 0.00 C ATOM 684 CD1 PHE B 25 -9.234 0.563 4.488 1.00 0.00 C ATOM 685 CD2 PHE B 25 -10.711 -1.112 3.544 1.00 0.00 C ATOM 686 CE1 PHE B 25 -8.741 -0.383 5.393 1.00 0.00 C ATOM 687 CE2 PHE B 25 -10.217 -2.058 4.450 1.00 0.00 C ATOM 688 CZ PHE B 25 -9.232 -1.694 5.374 1.00 0.00 C ATOM 0 H PHE B 25 -9.379 -0.795 1.758 1.00 0.00 H new ATOM 0 HA PHE B 25 -10.500 1.636 0.497 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -10.749 2.209 3.044 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -11.793 0.989 2.341 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.855 1.574 4.503 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -11.472 -1.393 2.831 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -7.981 -0.102 6.107 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -10.596 -3.069 4.436 1.00 0.00 H new ATOM 0 HZ PHE B 25 -8.850 -2.424 6.073 1.00 0.00 H new ATOM 698 N TYR B 26 -8.018 2.490 0.471 1.00 0.00 N ATOM 699 CA TYR B 26 -6.793 3.321 0.613 1.00 0.00 C ATOM 700 C TYR B 26 -7.181 4.700 1.148 1.00 0.00 C ATOM 701 O TYR B 26 -8.329 5.093 1.106 1.00 0.00 O ATOM 702 CB TYR B 26 -6.121 3.472 -0.754 1.00 0.00 C ATOM 703 CG TYR B 26 -4.750 4.084 -0.587 1.00 0.00 C ATOM 704 CD1 TYR B 26 -3.914 3.668 0.458 1.00 0.00 C ATOM 705 CD2 TYR B 26 -4.312 5.063 -1.484 1.00 0.00 C ATOM 706 CE1 TYR B 26 -2.643 4.235 0.603 1.00 0.00 C ATOM 707 CE2 TYR B 26 -3.041 5.627 -1.341 1.00 0.00 C ATOM 708 CZ TYR B 26 -2.206 5.214 -0.299 1.00 0.00 C ATOM 709 OH TYR B 26 -0.954 5.772 -0.160 1.00 0.00 O ATOM 0 H TYR B 26 -8.294 2.284 -0.489 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.101 2.842 1.305 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.038 2.499 -1.238 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.733 4.099 -1.402 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.250 2.911 1.151 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -4.957 5.384 -2.289 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -1.999 3.918 1.410 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -2.704 6.382 -2.036 1.00 0.00 H new ATOM 0 HH TYR B 26 -0.810 6.433 -0.869 1.00 0.00 H new ATOM 719 N THR B 27 -6.231 5.440 1.648 1.00 0.00 N ATOM 720 CA THR B 27 -6.547 6.792 2.182 1.00 0.00 C ATOM 721 C THR B 27 -5.633 7.830 1.523 1.00 0.00 C ATOM 722 O THR B 27 -4.904 8.529 2.197 1.00 0.00 O ATOM 723 CB THR B 27 -6.334 6.807 3.697 1.00 0.00 C ATOM 724 OG1 THR B 27 -6.337 8.150 4.162 1.00 0.00 O ATOM 725 CG2 THR B 27 -4.993 6.151 4.032 1.00 0.00 C ATOM 0 H THR B 27 -5.250 5.166 1.710 1.00 0.00 H new ATOM 0 HA THR B 27 -7.586 7.035 1.962 1.00 0.00 H new ATOM 0 HB THR B 27 -7.138 6.253 4.182 1.00 0.00 H new ATOM 0 HG1 THR B 27 -5.601 8.643 3.743 1.00 0.00 H new ATOM 0 HG21 THR B 27 -4.842 6.162 5.111 1.00 0.00 H new ATOM 0 HG22 THR B 27 -4.993 5.121 3.676 1.00 0.00 H new ATOM 0 HG23 THR B 27 -4.187 6.702 3.547 1.00 0.00 H new ATOM 733 N PRO B 28 -5.709 7.895 0.219 1.00 0.00 N ATOM 734 CA PRO B 28 -4.906 8.837 -0.598 1.00 0.00 C ATOM 735 C PRO B 28 -5.174 10.277 -0.155 1.00 0.00 C ATOM 736 O PRO B 28 -5.820 10.521 0.844 1.00 0.00 O ATOM 737 CB PRO B 28 -5.363 8.632 -2.047 1.00 0.00 C ATOM 738 CG PRO B 28 -6.455 7.547 -2.040 1.00 0.00 C ATOM 739 CD PRO B 28 -6.601 7.044 -0.598 1.00 0.00 C ATOM 0 HA PRO B 28 -3.837 8.656 -0.488 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -5.750 9.563 -2.462 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -4.525 8.328 -2.674 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -7.400 7.953 -2.401 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -6.185 6.727 -2.706 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -7.634 7.123 -0.259 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -6.319 5.994 -0.520 1.00 0.00 H new ATOM 747 N LYS B 29 -4.685 11.235 -0.894 1.00 0.00 N ATOM 748 CA LYS B 29 -4.912 12.659 -0.518 1.00 0.00 C ATOM 749 C LYS B 29 -4.912 13.523 -1.779 1.00 0.00 C ATOM 750 O LYS B 29 -4.271 14.553 -1.840 1.00 0.00 O ATOM 751 CB LYS B 29 -3.793 13.124 0.420 1.00 0.00 C ATOM 752 CG LYS B 29 -4.062 14.563 0.867 1.00 0.00 C ATOM 753 CD LYS B 29 -2.743 15.331 0.929 1.00 0.00 C ATOM 754 CE LYS B 29 -2.037 15.029 2.253 1.00 0.00 C ATOM 755 NZ LYS B 29 -2.609 15.886 3.328 1.00 0.00 N ATOM 0 H LYS B 29 -4.138 11.093 -1.743 1.00 0.00 H new ATOM 0 HA LYS B 29 -5.873 12.754 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -3.736 12.467 1.288 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -2.831 13.064 -0.088 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -4.746 15.049 0.172 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -4.544 14.568 1.844 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -2.105 15.047 0.092 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -2.929 16.401 0.840 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -2.157 13.977 2.510 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -0.967 15.213 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -2.468 15.426 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -2.132 16.810 3.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -3.626 16.021 3.160 1.00 0.00 H new ATOM 769 N THR B 30 -5.627 13.111 -2.790 1.00 0.00 N ATOM 770 CA THR B 30 -5.667 13.908 -4.049 1.00 0.00 C ATOM 771 C THR B 30 -7.068 14.497 -4.236 1.00 0.00 C ATOM 772 O THR B 30 -8.005 13.930 -3.701 1.00 0.00 O ATOM 773 CB THR B 30 -5.333 13.002 -5.236 1.00 0.00 C ATOM 774 OG1 THR B 30 -4.993 11.708 -4.760 1.00 0.00 O ATOM 775 CG2 THR B 30 -4.151 13.589 -6.011 1.00 0.00 C ATOM 776 OXT THR B 30 -7.178 15.509 -4.911 1.00 0.00 O ATOM 0 H THR B 30 -6.185 12.257 -2.799 1.00 0.00 H new ATOM 0 HA THR B 30 -4.938 14.716 -3.991 1.00 0.00 H new ATOM 0 HB THR B 30 -6.198 12.932 -5.895 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.780 11.126 -5.519 1.00 0.00 H new ATOM 0 HG21 THR B 30 -3.913 12.943 -6.856 1.00 0.00 H new ATOM 0 HG22 THR B 30 -4.412 14.583 -6.375 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.284 13.660 -5.354 1.00 0.00 H new TER 784 THR B 30