USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 560 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 Single : A 1 GLY N :NH3+ -110:sc= 0.0867 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0633) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.0194 F(o=-1.4!,f=-0.019) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.16) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0235 K(o=-0.023,f=-1.2!) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0183 (180deg=-0.248) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.021 (180deg=-0.214) USER MOD Single : B 1 GLY N :NH3+ -111:sc= 0.0835 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.057) USER MOD Single : B 5 GLN :FLIP amide:sc= -0.0182 F(o=-1.3!,f=-0.018) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN :FLIP amide:sc= -0.14 F(o=-0.81,f=-0.14) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc=-0.00998 X(o=-0.01,f=0) USER MOD Single : B 22 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.3!) USER MOD Single : B 28 LYS NZ :NH3+ -163:sc= -0.0273 (180deg=-0.246) USER MOD Single : B 29 LYS NZ :NH3+ 164:sc= -0.0216 (180deg=-0.237) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.097 -0.815 -4.148 1.00 0.00 N ATOM 2 CA GLY A 1 24.756 -1.125 -4.703 1.00 0.00 C ATOM 3 C GLY A 1 23.914 0.120 -4.860 1.00 0.00 C ATOM 4 O GLY A 1 24.312 1.202 -4.430 1.00 0.00 O ATOM 0 H1 GLY A 1 26.818 -0.954 -4.884 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.119 0.173 -3.824 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.295 -1.446 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.867 -1.614 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.245 -1.830 -4.047 1.00 0.00 H new ATOM 10 N SER A 2 22.750 -0.024 -5.477 1.00 0.00 N ATOM 11 CA SER A 2 21.841 1.093 -5.666 1.00 0.00 C ATOM 12 C SER A 2 20.961 1.284 -4.428 1.00 0.00 C ATOM 13 O SER A 2 19.749 1.060 -4.467 1.00 0.00 O ATOM 14 CB SER A 2 20.972 0.856 -6.902 1.00 0.00 C ATOM 15 OG SER A 2 21.772 0.606 -8.044 1.00 0.00 O ATOM 0 H SER A 2 22.413 -0.909 -5.856 1.00 0.00 H new ATOM 0 HA SER A 2 22.428 2.000 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.307 0.010 -6.727 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.340 1.726 -7.079 1.00 0.00 H new ATOM 0 HG SER A 2 21.195 0.456 -8.821 1.00 0.00 H new ATOM 21 N MET A 3 21.581 1.702 -3.332 1.00 0.00 N ATOM 22 CA MET A 3 20.873 1.877 -2.073 1.00 0.00 C ATOM 23 C MET A 3 19.962 3.096 -2.140 1.00 0.00 C ATOM 24 O MET A 3 18.864 3.094 -1.588 1.00 0.00 O ATOM 25 CB MET A 3 21.868 2.013 -0.917 1.00 0.00 C ATOM 26 CG MET A 3 21.215 2.116 0.451 1.00 0.00 C ATOM 27 SD MET A 3 22.419 2.195 1.792 1.00 0.00 S ATOM 28 CE MET A 3 21.334 2.303 3.212 1.00 0.00 C ATOM 0 H MET A 3 22.575 1.926 -3.291 1.00 0.00 H new ATOM 0 HA MET A 3 20.256 0.996 -1.896 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.538 1.153 -0.925 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.483 2.898 -1.082 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.584 3.004 0.482 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.563 1.256 0.604 1.00 0.00 H new ATOM 0 HE1 MET A 3 21.931 2.359 4.122 1.00 0.00 H new ATOM 0 HE2 MET A 3 20.714 3.196 3.129 1.00 0.00 H new ATOM 0 HE3 MET A 3 20.696 1.420 3.250 1.00 0.00 H new ATOM 38 N LYS A 4 20.418 4.130 -2.840 1.00 0.00 N ATOM 39 CA LYS A 4 19.628 5.345 -3.009 1.00 0.00 C ATOM 40 C LYS A 4 18.353 5.057 -3.807 1.00 0.00 C ATOM 41 O LYS A 4 17.320 5.688 -3.591 1.00 0.00 O ATOM 42 CB LYS A 4 20.457 6.433 -3.698 1.00 0.00 C ATOM 43 CG LYS A 4 19.756 7.783 -3.786 1.00 0.00 C ATOM 44 CD LYS A 4 19.365 8.315 -2.411 1.00 0.00 C ATOM 45 CE LYS A 4 20.579 8.609 -1.542 1.00 0.00 C ATOM 46 NZ LYS A 4 21.374 9.752 -2.060 1.00 0.00 N ATOM 0 H LYS A 4 21.329 4.151 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 4 19.339 5.704 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.396 6.557 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.710 6.100 -4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.412 8.500 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.864 7.689 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.776 9.225 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 4 18.729 7.586 -1.909 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.252 8.827 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.211 7.722 -1.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 22.121 9.993 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.807 9.490 -2.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.752 10.574 -2.197 1.00 0.00 H new ATOM 60 N GLN A 5 18.430 4.093 -4.722 1.00 0.00 N ATOM 61 CA GLN A 5 17.252 3.656 -5.460 1.00 0.00 C ATOM 62 C GLN A 5 16.226 3.076 -4.496 1.00 0.00 C ATOM 63 O GLN A 5 15.029 3.336 -4.609 1.00 0.00 O ATOM 64 CB GLN A 5 17.629 2.603 -6.506 1.00 0.00 C ATOM 65 CG GLN A 5 16.441 2.092 -7.308 1.00 0.00 C ATOM 66 CD GLN A 5 16.787 0.917 -8.202 1.00 0.00 C ATOM 67 OE1 GLN A 5 17.727 0.091 -7.767 1.00 0.00 O flip ATOM 68 NE2 GLN A 5 16.197 0.738 -9.269 1.00 0.00 N flip ATOM 0 H GLN A 5 19.291 3.604 -4.967 1.00 0.00 H new ATOM 0 HA GLN A 5 16.825 4.518 -5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.363 3.028 -7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.109 1.762 -6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 5 15.647 1.797 -6.622 1.00 0.00 H new ATOM 0 HG3 GLN A 5 16.048 2.903 -7.921 1.00 0.00 H new ATOM 0 HE21 GLN A 5 15.479 1.396 -9.571 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.427 -0.068 -9.850 1.00 0.00 H new ATOM 77 N LEU A 6 16.715 2.306 -3.531 1.00 0.00 N ATOM 78 CA LEU A 6 15.848 1.672 -2.542 1.00 0.00 C ATOM 79 C LEU A 6 15.209 2.718 -1.637 1.00 0.00 C ATOM 80 O LEU A 6 14.093 2.532 -1.159 1.00 0.00 O ATOM 81 CB LEU A 6 16.616 0.646 -1.698 1.00 0.00 C ATOM 82 CG LEU A 6 17.176 -0.563 -2.459 1.00 0.00 C ATOM 83 CD1 LEU A 6 17.875 -1.508 -1.497 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.070 -1.292 -3.209 1.00 0.00 C ATOM 0 H LEU A 6 17.708 2.105 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 6 15.063 1.146 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.444 1.156 -1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.954 0.282 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 6 17.901 -0.204 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.269 -2.362 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.695 -0.985 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.164 -1.856 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.492 -2.145 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.319 -1.641 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.606 -0.612 -3.924 1.00 0.00 H new ATOM 96 N GLU A 7 15.921 3.819 -1.417 1.00 0.00 N ATOM 97 CA GLU A 7 15.395 4.935 -0.634 1.00 0.00 C ATOM 98 C GLU A 7 14.094 5.449 -1.240 1.00 0.00 C ATOM 99 O GLU A 7 13.101 5.639 -0.537 1.00 0.00 O ATOM 100 CB GLU A 7 16.423 6.067 -0.568 1.00 0.00 C ATOM 101 CG GLU A 7 17.636 5.745 0.288 1.00 0.00 C ATOM 102 CD GLU A 7 17.315 5.752 1.768 1.00 0.00 C ATOM 103 OE1 GLU A 7 16.820 4.734 2.285 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.564 6.787 2.427 1.00 0.00 O ATOM 0 H GLU A 7 16.867 3.964 -1.771 1.00 0.00 H new ATOM 0 HA GLU A 7 15.193 4.580 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.756 6.302 -1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.940 6.962 -0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 7 18.026 4.766 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.423 6.471 0.086 1.00 0.00 H new ATOM 111 N ASP A 8 14.097 5.656 -2.552 1.00 0.00 N ATOM 112 CA ASP A 8 12.908 6.138 -3.248 1.00 0.00 C ATOM 113 C ASP A 8 11.870 5.035 -3.376 1.00 0.00 C ATOM 114 O ASP A 8 10.681 5.303 -3.536 1.00 0.00 O ATOM 115 CB ASP A 8 13.262 6.683 -4.632 1.00 0.00 C ATOM 116 CG ASP A 8 14.062 7.966 -4.565 1.00 0.00 C ATOM 117 OD1 ASP A 8 13.584 8.940 -3.946 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.164 8.015 -5.144 1.00 0.00 O ATOM 0 H ASP A 8 14.905 5.499 -3.154 1.00 0.00 H new ATOM 0 HA ASP A 8 12.487 6.949 -2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.832 5.932 -5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.345 6.860 -5.194 1.00 0.00 H new ATOM 123 N LYS A 9 12.325 3.794 -3.300 1.00 0.00 N ATOM 124 CA LYS A 9 11.431 2.643 -3.344 1.00 0.00 C ATOM 125 C LYS A 9 10.586 2.557 -2.086 1.00 0.00 C ATOM 126 O LYS A 9 9.359 2.487 -2.150 1.00 0.00 O ATOM 127 CB LYS A 9 12.223 1.358 -3.463 1.00 0.00 C ATOM 128 CG LYS A 9 12.832 1.103 -4.838 1.00 0.00 C ATOM 129 CD LYS A 9 11.778 0.979 -5.929 1.00 0.00 C ATOM 130 CE LYS A 9 10.897 -0.245 -5.732 1.00 0.00 C ATOM 131 NZ LYS A 9 9.931 -0.418 -6.848 1.00 0.00 N ATOM 0 H LYS A 9 13.312 3.556 -3.207 1.00 0.00 H new ATOM 0 HA LYS A 9 10.786 2.772 -4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.024 1.373 -2.724 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.571 0.522 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.513 1.917 -5.086 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.425 0.189 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.157 1.875 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.267 0.921 -6.901 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.523 -1.134 -5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.353 -0.153 -4.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.349 -1.263 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.317 0.419 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.450 -0.531 -7.742 1.00 0.00 H new ATOM 145 N VAL A 10 11.270 2.562 -0.945 1.00 0.00 N ATOM 146 CA VAL A 10 10.623 2.513 0.363 1.00 0.00 C ATOM 147 C VAL A 10 9.695 3.709 0.472 1.00 0.00 C ATOM 148 O VAL A 10 8.642 3.670 1.103 1.00 0.00 O ATOM 149 CB VAL A 10 11.663 2.560 1.508 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.980 2.538 2.868 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.638 1.398 1.390 1.00 0.00 C ATOM 0 H VAL A 10 12.288 2.600 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 10 10.070 1.578 0.455 1.00 0.00 H new ATOM 0 HB VAL A 10 12.218 3.494 1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.734 2.572 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.322 3.402 2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.394 1.624 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.362 1.447 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.091 0.457 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.160 1.457 0.435 1.00 0.00 H new ATOM 161 N GLU A 11 10.100 4.750 -0.229 1.00 0.00 N ATOM 162 CA GLU A 11 9.383 6.020 -0.237 1.00 0.00 C ATOM 163 C GLU A 11 8.102 5.919 -1.070 1.00 0.00 C ATOM 164 O GLU A 11 7.015 6.232 -0.579 1.00 0.00 O ATOM 165 CB GLU A 11 10.306 7.128 -0.769 1.00 0.00 C ATOM 166 CG GLU A 11 9.785 8.546 -0.569 1.00 0.00 C ATOM 167 CD GLU A 11 8.886 9.016 -1.694 1.00 0.00 C ATOM 168 OE1 GLU A 11 7.652 9.046 -1.511 1.00 0.00 O ATOM 169 OE2 GLU A 11 9.414 9.359 -2.770 1.00 0.00 O ATOM 0 H GLU A 11 10.937 4.744 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 11 9.088 6.269 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.276 7.040 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.471 6.964 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.235 8.595 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.631 9.228 -0.480 1.00 0.00 H new ATOM 176 N GLU A 12 8.229 5.462 -2.319 1.00 0.00 N ATOM 177 CA GLU A 12 7.082 5.366 -3.227 1.00 0.00 C ATOM 178 C GLU A 12 5.981 4.502 -2.612 1.00 0.00 C ATOM 179 O GLU A 12 4.830 4.923 -2.486 1.00 0.00 O ATOM 180 CB GLU A 12 7.528 4.763 -4.561 1.00 0.00 C ATOM 181 CG GLU A 12 6.462 4.806 -5.643 1.00 0.00 C ATOM 182 CD GLU A 12 6.173 6.216 -6.112 1.00 0.00 C ATOM 183 OE1 GLU A 12 5.308 6.885 -5.508 1.00 0.00 O ATOM 184 OE2 GLU A 12 6.811 6.659 -7.090 1.00 0.00 O ATOM 0 H GLU A 12 9.113 5.153 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 12 6.686 6.367 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.411 5.297 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.826 3.727 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.785 4.203 -6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.544 4.357 -5.263 1.00 0.00 H new ATOM 191 N LEU A 13 6.365 3.291 -2.247 1.00 0.00 N ATOM 192 CA LEU A 13 5.485 2.336 -1.576 1.00 0.00 C ATOM 193 C LEU A 13 4.753 2.947 -0.378 1.00 0.00 C ATOM 194 O LEU A 13 3.580 2.669 -0.178 1.00 0.00 O ATOM 195 CB LEU A 13 6.295 1.125 -1.122 1.00 0.00 C ATOM 196 CG LEU A 13 6.947 0.325 -2.249 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.885 -0.725 -1.681 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.884 -0.324 -3.125 1.00 0.00 C ATOM 0 H LEU A 13 7.307 2.934 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 13 4.725 2.035 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.074 1.463 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.641 0.461 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 13 7.530 1.009 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.341 -1.286 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.665 -0.238 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.324 -1.407 -1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.366 -0.890 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.275 -0.996 -2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.250 0.448 -3.560 1.00 0.00 H new ATOM 210 N LEU A 14 5.450 3.752 0.422 1.00 0.00 N ATOM 211 CA LEU A 14 4.821 4.447 1.558 1.00 0.00 C ATOM 212 C LEU A 14 3.655 5.308 1.091 1.00 0.00 C ATOM 213 O LEU A 14 2.565 5.250 1.660 1.00 0.00 O ATOM 214 CB LEU A 14 5.813 5.338 2.342 1.00 0.00 C ATOM 215 CG LEU A 14 6.243 4.807 3.720 1.00 0.00 C ATOM 216 CD1 LEU A 14 5.073 4.819 4.692 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.813 3.406 3.604 1.00 0.00 C ATOM 0 H LEU A 14 6.446 3.942 0.311 1.00 0.00 H new ATOM 0 HA LEU A 14 4.466 3.663 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.706 5.478 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.361 6.321 2.477 1.00 0.00 H new ATOM 0 HG LEU A 14 7.021 5.466 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.400 4.439 5.660 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.706 5.839 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.273 4.187 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.110 3.051 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.057 2.739 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.682 3.420 2.947 1.00 0.00 H new ATOM 229 N SER A 15 3.888 6.100 0.050 1.00 0.00 N ATOM 230 CA SER A 15 2.849 6.955 -0.506 1.00 0.00 C ATOM 231 C SER A 15 1.669 6.110 -0.989 1.00 0.00 C ATOM 232 O SER A 15 0.504 6.472 -0.793 1.00 0.00 O ATOM 233 CB SER A 15 3.418 7.794 -1.656 1.00 0.00 C ATOM 234 OG SER A 15 2.464 8.721 -2.143 1.00 0.00 O ATOM 0 H SER A 15 4.788 6.167 -0.425 1.00 0.00 H new ATOM 0 HA SER A 15 2.492 7.629 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.305 8.328 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.734 7.136 -2.466 1.00 0.00 H new ATOM 0 HG SER A 15 2.857 9.242 -2.874 1.00 0.00 H new ATOM 240 N LYS A 16 1.982 4.970 -1.597 1.00 0.00 N ATOM 241 CA LYS A 16 0.963 4.040 -2.066 1.00 0.00 C ATOM 242 C LYS A 16 0.245 3.400 -0.877 1.00 0.00 C ATOM 243 O LYS A 16 -0.983 3.313 -0.856 1.00 0.00 O ATOM 244 CB LYS A 16 1.605 2.959 -2.942 1.00 0.00 C ATOM 245 CG LYS A 16 0.604 2.057 -3.647 1.00 0.00 C ATOM 246 CD LYS A 16 -0.194 2.822 -4.693 1.00 0.00 C ATOM 247 CE LYS A 16 -1.065 1.900 -5.536 1.00 0.00 C ATOM 248 NZ LYS A 16 -1.699 2.621 -6.672 1.00 0.00 N ATOM 0 H LYS A 16 2.939 4.668 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 16 0.232 4.587 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.235 3.440 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.258 2.345 -2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.130 1.229 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.076 1.623 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.823 3.562 -4.199 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.490 3.368 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.459 1.079 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.839 1.458 -4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.283 1.958 -7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.297 3.389 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.960 3.021 -7.285 1.00 0.00 H new ATOM 262 N ASN A 17 1.029 2.960 0.105 1.00 0.00 N ATOM 263 CA ASN A 17 0.500 2.365 1.331 1.00 0.00 C ATOM 264 C ASN A 17 -0.489 3.300 2.012 1.00 0.00 C ATOM 265 O ASN A 17 -1.601 2.894 2.341 1.00 0.00 O ATOM 266 CB ASN A 17 1.652 2.023 2.291 1.00 0.00 C ATOM 267 CG ASN A 17 1.209 1.891 3.746 1.00 0.00 C ATOM 268 OD1 ASN A 17 1.232 2.867 4.497 1.00 0.00 O ATOM 269 ND2 ASN A 17 0.813 0.696 4.166 1.00 0.00 N ATOM 0 H ASN A 17 2.047 3.006 0.074 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.028 1.450 1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.115 1.088 1.973 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.416 2.797 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.517 0.568 5.134 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.804 -0.094 3.521 1.00 0.00 H new ATOM 276 N TYR A 18 -0.081 4.550 2.200 1.00 0.00 N ATOM 277 CA TYR A 18 -0.933 5.542 2.851 1.00 0.00 C ATOM 278 C TYR A 18 -2.241 5.703 2.093 1.00 0.00 C ATOM 279 O TYR A 18 -3.320 5.657 2.682 1.00 0.00 O ATOM 280 CB TYR A 18 -0.237 6.908 2.959 1.00 0.00 C ATOM 281 CG TYR A 18 0.790 7.017 4.067 1.00 0.00 C ATOM 282 CD1 TYR A 18 0.558 6.464 5.324 1.00 0.00 C ATOM 283 CD2 TYR A 18 1.990 7.696 3.864 1.00 0.00 C ATOM 284 CE1 TYR A 18 1.488 6.580 6.338 1.00 0.00 C ATOM 285 CE2 TYR A 18 2.923 7.812 4.875 1.00 0.00 C ATOM 286 CZ TYR A 18 2.668 7.253 6.107 1.00 0.00 C ATOM 287 OH TYR A 18 3.595 7.375 7.116 1.00 0.00 O ATOM 0 H TYR A 18 0.832 4.901 1.912 1.00 0.00 H new ATOM 0 HA TYR A 18 -1.136 5.178 3.858 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.251 7.127 2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.996 7.675 3.111 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.365 5.935 5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.193 8.139 2.900 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.292 6.146 7.307 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.849 8.339 4.700 1.00 0.00 H new ATOM 0 HH TYR A 18 4.371 7.876 6.789 1.00 0.00 H new ATOM 297 N HIS A 19 -2.133 5.863 0.779 1.00 0.00 N ATOM 298 CA HIS A 19 -3.299 6.075 -0.070 1.00 0.00 C ATOM 299 C HIS A 19 -4.274 4.909 0.046 1.00 0.00 C ATOM 300 O HIS A 19 -5.458 5.109 0.313 1.00 0.00 O ATOM 301 CB HIS A 19 -2.869 6.260 -1.530 1.00 0.00 C ATOM 302 CG HIS A 19 -3.991 6.649 -2.445 1.00 0.00 C ATOM 303 ND1 HIS A 19 -4.276 7.956 -2.773 1.00 0.00 N ATOM 304 CD2 HIS A 19 -4.896 5.892 -3.112 1.00 0.00 C ATOM 305 CE1 HIS A 19 -5.308 7.988 -3.595 1.00 0.00 C ATOM 306 NE2 HIS A 19 -5.701 6.750 -3.816 1.00 0.00 N ATOM 0 H HIS A 19 -1.245 5.850 0.277 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.804 6.980 0.267 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.093 7.024 -1.577 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.425 5.332 -1.889 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.969 4.815 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.754 8.877 -4.015 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -6.479 6.474 -4.415 1.00 0.00 H new ATOM 315 N LEU A 20 -3.768 3.695 -0.145 1.00 0.00 N ATOM 316 CA LEU A 20 -4.613 2.510 -0.107 1.00 0.00 C ATOM 317 C LEU A 20 -5.192 2.306 1.282 1.00 0.00 C ATOM 318 O LEU A 20 -6.398 2.162 1.436 1.00 0.00 O ATOM 319 CB LEU A 20 -3.837 1.256 -0.526 1.00 0.00 C ATOM 320 CG LEU A 20 -3.185 1.311 -1.910 1.00 0.00 C ATOM 321 CD1 LEU A 20 -2.345 0.069 -2.145 1.00 0.00 C ATOM 322 CD2 LEU A 20 -4.241 1.453 -2.995 1.00 0.00 C ATOM 0 H LEU A 20 -2.782 3.508 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.426 2.669 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.060 1.068 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.517 0.404 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.534 2.184 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.887 0.121 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.565 0.008 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.979 -0.816 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.757 1.490 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.918 0.599 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.806 2.371 -2.835 1.00 0.00 H new ATOM 334 N GLU A 21 -4.331 2.330 2.291 1.00 0.00 N ATOM 335 CA GLU A 21 -4.741 2.030 3.659 1.00 0.00 C ATOM 336 C GLU A 21 -5.842 2.982 4.120 1.00 0.00 C ATOM 337 O GLU A 21 -6.787 2.572 4.798 1.00 0.00 O ATOM 338 CB GLU A 21 -3.541 2.123 4.605 1.00 0.00 C ATOM 339 CG GLU A 21 -3.688 1.292 5.867 1.00 0.00 C ATOM 340 CD GLU A 21 -2.599 1.578 6.880 1.00 0.00 C ATOM 341 OE1 GLU A 21 -1.725 0.710 7.085 1.00 0.00 O ATOM 342 OE2 GLU A 21 -2.616 2.676 7.479 1.00 0.00 O ATOM 0 H GLU A 21 -3.341 2.555 2.189 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.134 1.013 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.645 1.803 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.390 3.166 4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.660 1.491 6.318 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.668 0.234 5.606 1.00 0.00 H new ATOM 349 N ASN A 22 -5.722 4.247 3.736 1.00 0.00 N ATOM 350 CA ASN A 22 -6.716 5.248 4.097 1.00 0.00 C ATOM 351 C ASN A 22 -8.025 5.011 3.359 1.00 0.00 C ATOM 352 O ASN A 22 -9.100 5.048 3.962 1.00 0.00 O ATOM 353 CB ASN A 22 -6.203 6.661 3.807 1.00 0.00 C ATOM 354 CG ASN A 22 -5.168 7.121 4.815 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.193 6.714 5.976 1.00 0.00 O ATOM 356 ND2 ASN A 22 -4.250 7.969 4.380 1.00 0.00 N ATOM 0 H ASN A 22 -4.947 4.603 3.176 1.00 0.00 H new ATOM 0 HA ASN A 22 -6.899 5.155 5.168 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.769 6.689 2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.042 7.356 3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.528 8.309 5.015 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.264 8.282 3.409 1.00 0.00 H new ATOM 363 N GLU A 23 -7.940 4.742 2.059 1.00 0.00 N ATOM 364 CA GLU A 23 -9.141 4.561 1.260 1.00 0.00 C ATOM 365 C GLU A 23 -9.829 3.242 1.614 1.00 0.00 C ATOM 366 O GLU A 23 -11.047 3.124 1.492 1.00 0.00 O ATOM 367 CB GLU A 23 -8.831 4.657 -0.242 1.00 0.00 C ATOM 368 CG GLU A 23 -8.252 3.406 -0.865 1.00 0.00 C ATOM 369 CD GLU A 23 -8.014 3.583 -2.349 1.00 0.00 C ATOM 370 OE1 GLU A 23 -6.859 3.439 -2.796 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.986 3.888 -3.082 1.00 0.00 O ATOM 0 H GLU A 23 -7.064 4.646 1.545 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.833 5.370 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.749 4.914 -0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.132 5.478 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.313 3.155 -0.373 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.931 2.569 -0.702 1.00 0.00 H new ATOM 378 N VAL A 24 -9.046 2.261 2.071 1.00 0.00 N ATOM 379 CA VAL A 24 -9.601 1.016 2.600 1.00 0.00 C ATOM 380 C VAL A 24 -10.598 1.325 3.716 1.00 0.00 C ATOM 381 O VAL A 24 -11.756 0.907 3.670 1.00 0.00 O ATOM 382 CB VAL A 24 -8.501 0.085 3.170 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.118 -1.068 3.949 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.618 -0.458 2.063 1.00 0.00 C ATOM 0 H VAL A 24 -8.027 2.306 2.085 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.093 0.506 1.771 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.886 0.679 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.327 -1.708 4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.707 -0.674 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.762 -1.649 3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.855 -1.108 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.225 -1.027 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.138 0.370 1.541 1.00 0.00 H new ATOM 394 N ALA A 25 -10.130 2.073 4.714 1.00 0.00 N ATOM 395 CA ALA A 25 -10.960 2.449 5.856 1.00 0.00 C ATOM 396 C ALA A 25 -12.205 3.212 5.413 1.00 0.00 C ATOM 397 O ALA A 25 -13.306 2.961 5.910 1.00 0.00 O ATOM 398 CB ALA A 25 -10.152 3.280 6.840 1.00 0.00 C ATOM 0 H ALA A 25 -9.176 2.432 4.754 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.289 1.534 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.781 3.554 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.300 2.699 7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.795 4.183 6.346 1.00 0.00 H new ATOM 404 N ARG A 26 -12.022 4.139 4.476 1.00 0.00 N ATOM 405 CA ARG A 26 -13.133 4.901 3.920 1.00 0.00 C ATOM 406 C ARG A 26 -14.176 3.973 3.304 1.00 0.00 C ATOM 407 O ARG A 26 -15.364 4.083 3.595 1.00 0.00 O ATOM 408 CB ARG A 26 -12.618 5.885 2.866 1.00 0.00 C ATOM 409 CG ARG A 26 -13.722 6.615 2.116 1.00 0.00 C ATOM 410 CD ARG A 26 -13.159 7.672 1.182 1.00 0.00 C ATOM 411 NE ARG A 26 -12.521 8.763 1.918 1.00 0.00 N ATOM 412 CZ ARG A 26 -11.652 9.620 1.384 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.279 9.497 0.117 1.00 0.00 N ATOM 414 NH2 ARG A 26 -11.151 10.603 2.122 1.00 0.00 N ATOM 0 H ARG A 26 -11.111 4.380 4.086 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.606 5.457 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.975 6.619 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.000 5.344 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.309 5.898 1.543 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.400 7.083 2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.433 7.214 0.510 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.960 8.072 0.561 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.757 8.875 2.904 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.658 8.742 -0.455 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.613 10.157 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.431 10.702 3.098 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.486 11.259 1.713 1.00 0.00 H new ATOM 428 N LEU A 27 -13.723 3.052 2.469 1.00 0.00 N ATOM 429 CA LEU A 27 -14.620 2.129 1.785 1.00 0.00 C ATOM 430 C LEU A 27 -15.368 1.230 2.773 1.00 0.00 C ATOM 431 O LEU A 27 -16.525 0.875 2.542 1.00 0.00 O ATOM 432 CB LEU A 27 -13.837 1.288 0.776 1.00 0.00 C ATOM 433 CG LEU A 27 -13.229 2.074 -0.383 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.277 1.199 -1.176 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.320 2.631 -1.285 1.00 0.00 C ATOM 0 H LEU A 27 -12.736 2.922 2.247 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.367 2.718 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.037 0.768 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.500 0.524 0.370 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.666 2.912 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.853 1.775 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.475 0.851 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.818 0.341 -1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.866 3.188 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.913 1.810 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.965 3.295 -0.709 1.00 0.00 H new ATOM 447 N LYS A 28 -14.720 0.885 3.882 1.00 0.00 N ATOM 448 CA LYS A 28 -15.330 0.025 4.889 1.00 0.00 C ATOM 449 C LYS A 28 -16.463 0.743 5.616 1.00 0.00 C ATOM 450 O LYS A 28 -17.527 0.164 5.838 1.00 0.00 O ATOM 451 CB LYS A 28 -14.283 -0.469 5.895 1.00 0.00 C ATOM 452 CG LYS A 28 -13.328 -1.508 5.326 1.00 0.00 C ATOM 453 CD LYS A 28 -12.253 -1.899 6.327 1.00 0.00 C ATOM 454 CE LYS A 28 -11.440 -3.093 5.840 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.259 -4.335 5.776 1.00 0.00 N ATOM 0 H LYS A 28 -13.772 1.188 4.105 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.749 -0.838 4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.706 0.384 6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.794 -0.894 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.890 -2.395 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.859 -1.114 4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.589 -1.052 6.498 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.716 -2.140 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.032 -2.876 4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.593 -3.251 6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.631 -5.163 5.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.853 -4.403 6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.865 -4.308 4.931 1.00 0.00 H new ATOM 469 N LYS A 29 -16.242 2.002 5.983 1.00 0.00 N ATOM 470 CA LYS A 29 -17.278 2.784 6.647 1.00 0.00 C ATOM 471 C LYS A 29 -18.415 3.115 5.677 1.00 0.00 C ATOM 472 O LYS A 29 -19.510 3.481 6.099 1.00 0.00 O ATOM 473 CB LYS A 29 -16.693 4.067 7.248 1.00 0.00 C ATOM 474 CG LYS A 29 -16.352 5.136 6.223 1.00 0.00 C ATOM 475 CD LYS A 29 -15.778 6.374 6.884 1.00 0.00 C ATOM 476 CE LYS A 29 -15.685 7.539 5.910 1.00 0.00 C ATOM 477 NZ LYS A 29 -17.026 8.048 5.512 1.00 0.00 N ATOM 0 H LYS A 29 -15.363 2.498 5.833 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.685 2.182 7.459 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.406 4.479 7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.792 3.815 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.634 4.739 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.248 5.403 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.402 6.657 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.787 6.150 7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -15.112 8.347 6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -15.139 7.224 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.926 8.988 5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.456 7.394 4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.634 8.118 6.353 1.00 0.00 H new ATOM 491 N LEU A 30 -18.147 2.980 4.377 1.00 0.00 N ATOM 492 CA LEU A 30 -19.160 3.231 3.355 1.00 0.00 C ATOM 493 C LEU A 30 -20.067 2.017 3.175 1.00 0.00 C ATOM 494 O LEU A 30 -21.286 2.121 3.292 1.00 0.00 O ATOM 495 CB LEU A 30 -18.510 3.587 2.014 1.00 0.00 C ATOM 496 CG LEU A 30 -17.734 4.906 1.981 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.116 5.123 0.610 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.641 6.071 2.343 1.00 0.00 C ATOM 0 H LEU A 30 -17.238 2.699 4.009 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.761 4.075 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -17.832 2.781 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.289 3.626 1.253 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.934 4.851 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.568 6.065 0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.433 4.304 0.385 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.903 5.156 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.070 6.999 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.463 6.128 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.041 5.923 3.346 1.00 0.00 H new ATOM 510 N VAL A 31 -19.469 0.865 2.886 1.00 0.00 N ATOM 511 CA VAL A 31 -20.229 -0.361 2.698 1.00 0.00 C ATOM 512 C VAL A 31 -20.916 -0.805 3.997 1.00 0.00 C ATOM 513 O VAL A 31 -21.993 -1.404 3.963 1.00 0.00 O ATOM 514 CB VAL A 31 -19.326 -1.497 2.159 1.00 0.00 C ATOM 515 CG1 VAL A 31 -18.229 -1.857 3.151 1.00 0.00 C ATOM 516 CG2 VAL A 31 -20.153 -2.719 1.808 1.00 0.00 C ATOM 0 H VAL A 31 -18.461 0.757 2.777 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.003 -0.149 1.960 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.844 -1.133 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.615 -2.658 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.607 -0.982 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.679 -2.189 4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.499 -3.505 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.672 -3.075 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.883 -2.457 1.042 1.00 0.00 H new ATOM 526 N GLY A 32 -20.311 -0.493 5.139 1.00 0.00 N ATOM 527 CA GLY A 32 -20.915 -0.831 6.411 1.00 0.00 C ATOM 528 C GLY A 32 -21.611 0.356 7.041 1.00 0.00 C ATOM 529 O GLY A 32 -21.530 0.565 8.253 1.00 0.00 O ATOM 0 H GLY A 32 -19.414 -0.012 5.204 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -21.633 -1.639 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.147 -1.203 7.089 1.00 0.00 H new ATOM 533 N GLU A 33 -22.286 1.141 6.217 1.00 0.00 N ATOM 534 CA GLU A 33 -22.993 2.321 6.685 1.00 0.00 C ATOM 535 C GLU A 33 -24.497 2.070 6.670 1.00 0.00 C ATOM 536 O GLU A 33 -25.118 2.219 5.596 1.00 0.00 O ATOM 537 CB GLU A 33 -22.643 3.523 5.803 1.00 0.00 C ATOM 538 CG GLU A 33 -23.286 4.827 6.243 1.00 0.00 C ATOM 539 CD GLU A 33 -22.931 5.974 5.324 1.00 0.00 C ATOM 540 OE1 GLU A 33 -22.144 6.853 5.734 1.00 0.00 O ATOM 541 OE2 GLU A 33 -23.421 5.996 4.175 1.00 0.00 O ATOM 542 OXT GLU A 33 -25.053 1.718 7.729 1.00 0.00 O ATOM 0 H GLU A 33 -22.359 0.980 5.212 1.00 0.00 H new ATOM 0 HA GLU A 33 -22.687 2.537 7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -21.560 3.650 5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -22.947 3.308 4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -24.369 4.706 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -22.967 5.064 7.258 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 26.125 0.691 4.469 1.00 0.00 N ATOM 551 CA GLY B 1 24.786 0.974 5.040 1.00 0.00 C ATOM 552 C GLY B 1 23.962 -0.284 5.194 1.00 0.00 C ATOM 553 O GLY B 1 24.367 -1.354 4.741 1.00 0.00 O ATOM 0 H1 GLY B 1 26.853 0.850 5.195 1.00 0.00 H new ATOM 0 H2 GLY B 1 26.165 -0.298 4.150 1.00 0.00 H new ATOM 0 H3 GLY B 1 26.298 1.322 3.661 1.00 0.00 H new ATOM 0 HA2 GLY B 1 24.900 1.455 6.012 1.00 0.00 H new ATOM 0 HA3 GLY B 1 24.258 1.677 4.396 1.00 0.00 H new ATOM 559 N SER B 2 22.807 -0.164 5.833 1.00 0.00 N ATOM 560 CA SER B 2 21.917 -1.296 6.022 1.00 0.00 C ATOM 561 C SER B 2 21.024 -1.487 4.795 1.00 0.00 C ATOM 562 O SER B 2 19.809 -1.275 4.849 1.00 0.00 O ATOM 563 CB SER B 2 21.063 -1.086 7.274 1.00 0.00 C ATOM 564 OG SER B 2 21.876 -0.852 8.413 1.00 0.00 O ATOM 0 H SER B 2 22.465 0.711 6.230 1.00 0.00 H new ATOM 0 HA SER B 2 22.518 -2.196 6.152 1.00 0.00 H new ATOM 0 HB2 SER B 2 20.392 -0.241 7.123 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.438 -1.963 7.443 1.00 0.00 H new ATOM 0 HG SER B 2 21.307 -0.719 9.200 1.00 0.00 H new ATOM 570 N MET B 3 21.636 -1.891 3.690 1.00 0.00 N ATOM 571 CA MET B 3 20.917 -2.068 2.437 1.00 0.00 C ATOM 572 C MET B 3 20.025 -3.302 2.507 1.00 0.00 C ATOM 573 O MET B 3 18.921 -3.313 1.965 1.00 0.00 O ATOM 574 CB MET B 3 21.899 -2.183 1.269 1.00 0.00 C ATOM 575 CG MET B 3 21.226 -2.282 -0.092 1.00 0.00 C ATOM 576 SD MET B 3 22.413 -2.341 -1.449 1.00 0.00 S ATOM 577 CE MET B 3 21.311 -2.443 -2.856 1.00 0.00 C ATOM 0 H MET B 3 22.632 -2.103 3.637 1.00 0.00 H new ATOM 0 HA MET B 3 20.287 -1.194 2.273 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.559 -1.316 1.275 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.526 -3.062 1.419 1.00 0.00 H new ATOM 0 HG2 MET B 3 20.602 -3.175 -0.121 1.00 0.00 H new ATOM 0 HG3 MET B 3 20.565 -1.427 -0.229 1.00 0.00 H new ATOM 0 HE1 MET B 3 21.897 -2.487 -3.774 1.00 0.00 H new ATOM 0 HE2 MET B 3 20.698 -3.340 -2.774 1.00 0.00 H new ATOM 0 HE3 MET B 3 20.667 -1.564 -2.878 1.00 0.00 H new ATOM 587 N LYS B 4 20.503 -4.333 3.195 1.00 0.00 N ATOM 588 CA LYS B 4 19.733 -5.561 3.364 1.00 0.00 C ATOM 589 C LYS B 4 18.466 -5.298 4.182 1.00 0.00 C ATOM 590 O LYS B 4 17.441 -5.947 3.980 1.00 0.00 O ATOM 591 CB LYS B 4 20.588 -6.647 4.030 1.00 0.00 C ATOM 592 CG LYS B 4 19.903 -8.007 4.121 1.00 0.00 C ATOM 593 CD LYS B 4 19.502 -8.536 2.750 1.00 0.00 C ATOM 594 CE LYS B 4 20.709 -8.801 1.860 1.00 0.00 C ATOM 595 NZ LYS B 4 21.539 -9.929 2.359 1.00 0.00 N ATOM 0 H LYS B 4 21.419 -4.344 3.644 1.00 0.00 H new ATOM 0 HA LYS B 4 19.435 -5.915 2.377 1.00 0.00 H new ATOM 0 HB2 LYS B 4 21.518 -6.757 3.471 1.00 0.00 H new ATOM 0 HB3 LYS B 4 20.856 -6.319 5.034 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.573 -8.719 4.603 1.00 0.00 H new ATOM 0 HG3 LYS B 4 19.018 -7.926 4.752 1.00 0.00 H new ATOM 0 HD2 LYS B 4 18.932 -9.457 2.870 1.00 0.00 H new ATOM 0 HD3 LYS B 4 18.845 -7.816 2.263 1.00 0.00 H new ATOM 0 HE2 LYS B 4 20.370 -9.022 0.848 1.00 0.00 H new ATOM 0 HE3 LYS B 4 21.320 -7.900 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 22.290 -10.139 1.670 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 21.968 -9.668 3.270 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 20.941 -10.770 2.486 1.00 0.00 H new ATOM 609 N GLN B 5 18.540 -4.342 5.105 1.00 0.00 N ATOM 610 CA GLN B 5 17.368 -3.925 5.863 1.00 0.00 C ATOM 611 C GLN B 5 16.320 -3.353 4.919 1.00 0.00 C ATOM 612 O GLN B 5 15.127 -3.629 5.050 1.00 0.00 O ATOM 613 CB GLN B 5 17.745 -2.875 6.910 1.00 0.00 C ATOM 614 CG GLN B 5 16.560 -2.390 7.733 1.00 0.00 C ATOM 615 CD GLN B 5 16.896 -1.218 8.636 1.00 0.00 C ATOM 616 OE1 GLN B 5 17.817 -0.371 8.199 1.00 0.00 O flip ATOM 617 NE2 GLN B 5 16.320 -1.067 9.712 1.00 0.00 N flip ATOM 0 H GLN B 5 19.398 -3.844 5.344 1.00 0.00 H new ATOM 0 HA GLN B 5 16.961 -4.797 6.376 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.496 -3.294 7.580 1.00 0.00 H new ATOM 0 HB3 GLN B 5 18.204 -2.022 6.410 1.00 0.00 H new ATOM 0 HG2 GLN B 5 15.753 -2.101 7.060 1.00 0.00 H new ATOM 0 HG3 GLN B 5 16.188 -3.214 8.342 1.00 0.00 H new ATOM 0 HE21 GLN B 5 15.617 -1.742 10.013 1.00 0.00 H new ATOM 0 HE22 GLN B 5 16.546 -0.267 10.303 1.00 0.00 H new ATOM 626 N LEU B 6 16.783 -2.568 3.952 1.00 0.00 N ATOM 627 CA LEU B 6 15.893 -1.941 2.980 1.00 0.00 C ATOM 628 C LEU B 6 15.260 -2.991 2.076 1.00 0.00 C ATOM 629 O LEU B 6 14.132 -2.820 1.617 1.00 0.00 O ATOM 630 CB LEU B 6 16.634 -0.899 2.133 1.00 0.00 C ATOM 631 CG LEU B 6 17.188 0.312 2.894 1.00 0.00 C ATOM 632 CD1 LEU B 6 17.859 1.274 1.929 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.082 1.019 3.664 1.00 0.00 C ATOM 0 H LEU B 6 17.771 -2.350 3.820 1.00 0.00 H new ATOM 0 HA LEU B 6 15.107 -1.431 3.537 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.462 -1.394 1.625 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.955 -0.538 1.360 1.00 0.00 H new ATOM 0 HG LEU B 6 17.929 -0.042 3.611 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.248 2.130 2.480 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.679 0.766 1.420 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.132 1.617 1.193 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.498 1.874 4.196 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.316 1.362 2.968 1.00 0.00 H new ATOM 0 HD23 LEU B 6 15.638 0.328 4.380 1.00 0.00 H new ATOM 645 N GLU B 7 15.986 -4.079 1.836 1.00 0.00 N ATOM 646 CA GLU B 7 15.466 -5.194 1.050 1.00 0.00 C ATOM 647 C GLU B 7 14.177 -5.731 1.665 1.00 0.00 C ATOM 648 O GLU B 7 13.176 -5.912 0.970 1.00 0.00 O ATOM 649 CB GLU B 7 16.506 -6.314 0.961 1.00 0.00 C ATOM 650 CG GLU B 7 17.706 -5.967 0.094 1.00 0.00 C ATOM 651 CD GLU B 7 17.372 -5.967 -1.384 1.00 0.00 C ATOM 652 OE1 GLU B 7 16.833 -4.960 -1.881 1.00 0.00 O ATOM 653 OE2 GLU B 7 17.658 -6.977 -2.062 1.00 0.00 O ATOM 0 H GLU B 7 16.939 -4.213 2.175 1.00 0.00 H new ATOM 0 HA GLU B 7 15.249 -4.830 0.046 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.853 -6.556 1.966 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.029 -7.210 0.564 1.00 0.00 H new ATOM 0 HG2 GLU B 7 18.084 -4.985 0.378 1.00 0.00 H new ATOM 0 HG3 GLU B 7 18.506 -6.683 0.283 1.00 0.00 H new ATOM 660 N ASP B 8 14.200 -5.955 2.977 1.00 0.00 N ATOM 661 CA ASP B 8 13.028 -6.463 3.686 1.00 0.00 C ATOM 662 C ASP B 8 11.974 -5.374 3.836 1.00 0.00 C ATOM 663 O ASP B 8 10.793 -5.658 4.009 1.00 0.00 O ATOM 664 CB ASP B 8 13.411 -7.012 5.063 1.00 0.00 C ATOM 665 CG ASP B 8 14.233 -8.281 4.977 1.00 0.00 C ATOM 666 OD1 ASP B 8 13.762 -9.263 4.365 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.353 -8.310 5.528 1.00 0.00 O ATOM 0 H ASP B 8 15.015 -5.793 3.569 1.00 0.00 H new ATOM 0 HA ASP B 8 12.611 -7.277 3.093 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.975 -6.255 5.608 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.505 -7.209 5.636 1.00 0.00 H new ATOM 672 N LYS B 9 12.410 -4.125 3.766 1.00 0.00 N ATOM 673 CA LYS B 9 11.501 -2.986 3.832 1.00 0.00 C ATOM 674 C LYS B 9 10.638 -2.899 2.587 1.00 0.00 C ATOM 675 O LYS B 9 9.411 -2.842 2.668 1.00 0.00 O ATOM 676 CB LYS B 9 12.277 -1.690 3.951 1.00 0.00 C ATOM 677 CG LYS B 9 12.899 -1.438 5.319 1.00 0.00 C ATOM 678 CD LYS B 9 11.859 -1.340 6.427 1.00 0.00 C ATOM 679 CE LYS B 9 10.962 -0.126 6.257 1.00 0.00 C ATOM 680 NZ LYS B 9 10.017 0.028 7.393 1.00 0.00 N ATOM 0 H LYS B 9 13.393 -3.872 3.663 1.00 0.00 H new ATOM 0 HA LYS B 9 10.870 -3.133 4.709 1.00 0.00 H new ATOM 0 HB2 LYS B 9 13.069 -1.688 3.202 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.610 -0.861 3.713 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.596 -2.243 5.551 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.478 -0.515 5.286 1.00 0.00 H new ATOM 0 HD2 LYS B 9 11.249 -2.244 6.433 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.362 -1.288 7.393 1.00 0.00 H new ATOM 0 HE2 LYS B 9 11.576 0.770 6.172 1.00 0.00 H new ATOM 0 HE3 LYS B 9 10.400 -0.217 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.423 0.868 7.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 9.413 -0.816 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 10.553 0.141 8.277 1.00 0.00 H new ATOM 694 N VAL B 10 11.307 -2.884 1.439 1.00 0.00 N ATOM 695 CA VAL B 10 10.644 -2.837 0.141 1.00 0.00 C ATOM 696 C VAL B 10 9.732 -4.046 0.036 1.00 0.00 C ATOM 697 O VAL B 10 8.674 -4.020 -0.589 1.00 0.00 O ATOM 698 CB VAL B 10 11.669 -2.860 -1.019 1.00 0.00 C ATOM 699 CG1 VAL B 10 10.966 -2.837 -2.369 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.627 -1.686 -0.906 1.00 0.00 C ATOM 0 H VAL B 10 12.325 -2.904 1.382 1.00 0.00 H new ATOM 0 HA VAL B 10 10.077 -1.910 0.062 1.00 0.00 H new ATOM 0 HB VAL B 10 12.239 -3.786 -0.946 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.709 -2.854 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.319 -3.710 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.366 -1.931 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.340 -1.718 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL B 10 12.065 -0.753 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.163 -1.744 0.041 1.00 0.00 H new ATOM 710 N GLU B 11 10.159 -5.087 0.725 1.00 0.00 N ATOM 711 CA GLU B 11 9.462 -6.366 0.731 1.00 0.00 C ATOM 712 C GLU B 11 8.190 -6.293 1.583 1.00 0.00 C ATOM 713 O GLU B 11 7.102 -6.615 1.101 1.00 0.00 O ATOM 714 CB GLU B 11 10.407 -7.464 1.242 1.00 0.00 C ATOM 715 CG GLU B 11 9.912 -8.889 1.028 1.00 0.00 C ATOM 716 CD GLU B 11 9.031 -9.396 2.151 1.00 0.00 C ATOM 717 OE1 GLU B 11 7.798 -9.458 1.970 1.00 0.00 O ATOM 718 OE2 GLU B 11 9.574 -9.762 3.215 1.00 0.00 O ATOM 0 H GLU B 11 11.002 -5.073 1.299 1.00 0.00 H new ATOM 0 HA GLU B 11 9.158 -6.609 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.372 -7.352 0.747 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.576 -7.310 2.308 1.00 0.00 H new ATOM 0 HG2 GLU B 11 9.357 -8.936 0.091 1.00 0.00 H new ATOM 0 HG3 GLU B 11 10.771 -9.552 0.923 1.00 0.00 H new ATOM 725 N GLU B 12 8.328 -5.848 2.834 1.00 0.00 N ATOM 726 CA GLU B 12 7.192 -5.773 3.757 1.00 0.00 C ATOM 727 C GLU B 12 6.070 -4.921 3.163 1.00 0.00 C ATOM 728 O GLU B 12 4.925 -5.359 3.045 1.00 0.00 O ATOM 729 CB GLU B 12 7.651 -5.170 5.087 1.00 0.00 C ATOM 730 CG GLU B 12 6.602 -5.228 6.183 1.00 0.00 C ATOM 731 CD GLU B 12 6.332 -6.640 6.653 1.00 0.00 C ATOM 732 OE1 GLU B 12 5.417 -7.291 6.110 1.00 0.00 O ATOM 733 OE2 GLU B 12 7.030 -7.105 7.580 1.00 0.00 O ATOM 0 H GLU B 12 9.214 -5.534 3.231 1.00 0.00 H new ATOM 0 HA GLU B 12 6.810 -6.780 3.924 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.544 -5.696 5.424 1.00 0.00 H new ATOM 0 HB3 GLU B 12 7.936 -4.130 4.924 1.00 0.00 H new ATOM 0 HG2 GLU B 12 6.931 -4.624 7.029 1.00 0.00 H new ATOM 0 HG3 GLU B 12 5.675 -4.787 5.818 1.00 0.00 H new ATOM 740 N LEU B 13 6.431 -3.700 2.802 1.00 0.00 N ATOM 741 CA LEU B 13 5.529 -2.753 2.149 1.00 0.00 C ATOM 742 C LEU B 13 4.792 -3.366 0.957 1.00 0.00 C ATOM 743 O LEU B 13 3.612 -3.105 0.774 1.00 0.00 O ATOM 744 CB LEU B 13 6.316 -1.526 1.692 1.00 0.00 C ATOM 745 CG LEU B 13 6.973 -0.724 2.816 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.886 0.343 2.240 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.914 -0.096 3.709 1.00 0.00 C ATOM 0 H LEU B 13 7.369 -3.330 2.954 1.00 0.00 H new ATOM 0 HA LEU B 13 4.774 -2.468 2.882 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.090 -1.848 0.996 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.645 -0.867 1.140 1.00 0.00 H new ATOM 0 HG LEU B 13 7.575 -1.402 3.421 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.346 0.905 3.052 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.664 -0.129 1.639 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.305 1.020 1.614 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.398 0.471 4.504 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.288 0.571 3.117 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.296 -0.880 4.147 1.00 0.00 H new ATOM 759 N LEU B 14 5.489 -4.153 0.140 1.00 0.00 N ATOM 760 CA LEU B 14 4.855 -4.849 -0.994 1.00 0.00 C ATOM 761 C LEU B 14 3.706 -5.728 -0.518 1.00 0.00 C ATOM 762 O LEU B 14 2.609 -5.679 -1.073 1.00 0.00 O ATOM 763 CB LEU B 14 5.849 -5.719 -1.798 1.00 0.00 C ATOM 764 CG LEU B 14 6.253 -5.176 -3.178 1.00 0.00 C ATOM 765 CD1 LEU B 14 5.071 -5.201 -4.137 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.806 -3.768 -3.064 1.00 0.00 C ATOM 0 H LEU B 14 6.489 -4.329 0.236 1.00 0.00 H new ATOM 0 HA LEU B 14 4.481 -4.066 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.752 -5.849 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU B 14 5.410 -6.708 -1.932 1.00 0.00 H new ATOM 0 HG LEU B 14 7.035 -5.823 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.381 -4.812 -5.107 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.718 -6.226 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.266 -4.583 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU B 14 7.085 -3.405 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU B 14 6.047 -3.112 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.684 -3.773 -2.419 1.00 0.00 H new ATOM 778 N SER B 15 3.963 -6.528 0.512 1.00 0.00 N ATOM 779 CA SER B 15 2.943 -7.402 1.073 1.00 0.00 C ATOM 780 C SER B 15 1.759 -6.577 1.583 1.00 0.00 C ATOM 781 O SER B 15 0.598 -6.956 1.412 1.00 0.00 O ATOM 782 CB SER B 15 3.539 -8.243 2.206 1.00 0.00 C ATOM 783 OG SER B 15 2.607 -9.189 2.705 1.00 0.00 O ATOM 0 H SER B 15 4.870 -6.588 0.974 1.00 0.00 H new ATOM 0 HA SER B 15 2.584 -8.072 0.292 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.427 -8.763 1.845 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.860 -7.587 3.015 1.00 0.00 H new ATOM 0 HG SER B 15 3.022 -9.708 3.425 1.00 0.00 H new ATOM 789 N LYS B 16 2.066 -5.437 2.194 1.00 0.00 N ATOM 790 CA LYS B 16 1.041 -4.528 2.684 1.00 0.00 C ATOM 791 C LYS B 16 0.297 -3.890 1.510 1.00 0.00 C ATOM 792 O LYS B 16 -0.933 -3.824 1.503 1.00 0.00 O ATOM 793 CB LYS B 16 1.676 -3.444 3.561 1.00 0.00 C ATOM 794 CG LYS B 16 0.669 -2.566 4.288 1.00 0.00 C ATOM 795 CD LYS B 16 -0.104 -3.351 5.339 1.00 0.00 C ATOM 796 CE LYS B 16 -0.977 -2.444 6.197 1.00 0.00 C ATOM 797 NZ LYS B 16 -1.584 -3.179 7.337 1.00 0.00 N ATOM 0 H LYS B 16 3.022 -5.122 2.361 1.00 0.00 H new ATOM 0 HA LYS B 16 0.327 -5.092 3.284 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.325 -3.920 4.296 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.310 -2.813 2.938 1.00 0.00 H new ATOM 0 HG2 LYS B 16 1.188 -1.734 4.763 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.028 -2.138 3.568 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.728 -4.098 4.848 1.00 0.00 H new ATOM 0 HD3 LYS B 16 0.596 -3.891 5.977 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -0.378 -1.616 6.576 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.766 -2.011 5.582 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -2.171 -2.528 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -2.176 -3.954 6.975 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.831 -3.570 7.938 1.00 0.00 H new ATOM 811 N ASN B 17 1.062 -3.432 0.521 1.00 0.00 N ATOM 812 CA ASN B 17 0.509 -2.836 -0.694 1.00 0.00 C ATOM 813 C ASN B 17 -0.476 -3.779 -1.368 1.00 0.00 C ATOM 814 O ASN B 17 -1.597 -3.385 -1.682 1.00 0.00 O ATOM 815 CB ASN B 17 1.644 -2.470 -1.666 1.00 0.00 C ATOM 816 CG ASN B 17 1.181 -2.334 -3.115 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.759 -1.141 -3.519 1.00 0.00 O flip ATOM 818 ND2 ASN B 17 1.215 -3.302 -3.877 1.00 0.00 N flip ATOM 0 H ASN B 17 2.081 -3.463 0.539 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.028 -1.930 -0.414 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.097 -1.531 -1.347 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.420 -3.233 -1.610 1.00 0.00 H new ATOM 0 HD21 ASN B 17 1.544 -4.206 -3.539 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.914 -3.199 -4.846 1.00 0.00 H new ATOM 825 N TYR B 18 -0.055 -5.020 -1.570 1.00 0.00 N ATOM 826 CA TYR B 18 -0.902 -6.019 -2.217 1.00 0.00 C ATOM 827 C TYR B 18 -2.197 -6.207 -1.441 1.00 0.00 C ATOM 828 O TYR B 18 -3.285 -6.178 -2.015 1.00 0.00 O ATOM 829 CB TYR B 18 -0.186 -7.372 -2.344 1.00 0.00 C ATOM 830 CG TYR B 18 0.830 -7.458 -3.467 1.00 0.00 C ATOM 831 CD1 TYR B 18 0.576 -6.898 -4.715 1.00 0.00 C ATOM 832 CD2 TYR B 18 2.039 -8.127 -3.284 1.00 0.00 C ATOM 833 CE1 TYR B 18 1.495 -6.995 -5.741 1.00 0.00 C ATOM 834 CE2 TYR B 18 2.963 -8.224 -4.307 1.00 0.00 C ATOM 835 CZ TYR B 18 2.685 -7.659 -5.532 1.00 0.00 C ATOM 836 OH TYR B 18 3.603 -7.759 -6.554 1.00 0.00 O ATOM 0 H TYR B 18 0.866 -5.361 -1.296 1.00 0.00 H new ATOM 0 HA TYR B 18 -1.126 -5.650 -3.218 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.317 -7.589 -1.402 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.935 -8.150 -2.492 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.356 -6.379 -4.884 1.00 0.00 H new ATOM 0 HD2 TYR B 18 2.257 -8.577 -2.327 1.00 0.00 H new ATOM 0 HE1 TYR B 18 1.282 -6.553 -6.703 1.00 0.00 H new ATOM 0 HE2 TYR B 18 3.898 -8.740 -4.147 1.00 0.00 H new ATOM 0 HH TYR B 18 4.388 -8.256 -6.242 1.00 0.00 H new ATOM 846 N HIS B 19 -2.068 -6.378 -0.131 1.00 0.00 N ATOM 847 CA HIS B 19 -3.220 -6.612 0.731 1.00 0.00 C ATOM 848 C HIS B 19 -4.215 -5.460 0.638 1.00 0.00 C ATOM 849 O HIS B 19 -5.400 -5.675 0.384 1.00 0.00 O ATOM 850 CB HIS B 19 -2.768 -6.805 2.180 1.00 0.00 C ATOM 851 CG HIS B 19 -3.869 -7.218 3.111 1.00 0.00 C ATOM 852 ND1 HIS B 19 -4.131 -8.534 3.428 1.00 0.00 N ATOM 853 CD2 HIS B 19 -4.769 -6.480 3.801 1.00 0.00 C ATOM 854 CE1 HIS B 19 -5.144 -8.585 4.272 1.00 0.00 C ATOM 855 NE2 HIS B 19 -5.547 -7.354 4.515 1.00 0.00 N ATOM 0 H HIS B 19 -1.174 -6.359 0.359 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.718 -7.520 0.392 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.981 -7.559 2.207 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -2.331 -5.874 2.541 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -4.858 -5.404 3.791 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -5.571 -9.484 4.693 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -6.314 -7.094 5.135 1.00 0.00 H new ATOM 864 N LEU B 20 -3.722 -4.240 0.833 1.00 0.00 N ATOM 865 CA LEU B 20 -4.584 -3.064 0.814 1.00 0.00 C ATOM 866 C LEU B 20 -5.185 -2.862 -0.566 1.00 0.00 C ATOM 867 O LEU B 20 -6.396 -2.736 -0.703 1.00 0.00 O ATOM 868 CB LEU B 20 -3.818 -1.803 1.230 1.00 0.00 C ATOM 869 CG LEU B 20 -3.148 -1.855 2.605 1.00 0.00 C ATOM 870 CD1 LEU B 20 -2.326 -0.602 2.840 1.00 0.00 C ATOM 871 CD2 LEU B 20 -4.188 -2.019 3.703 1.00 0.00 C ATOM 0 H LEU B 20 -2.736 -4.041 1.005 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.385 -3.236 1.533 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.052 -1.602 0.481 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.508 -0.960 1.215 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.483 -2.718 2.630 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.856 -0.654 3.822 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.556 -0.523 2.073 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.975 0.273 2.794 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.691 -2.054 4.673 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.878 -1.176 3.679 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.741 -2.945 3.545 1.00 0.00 H new ATOM 883 N GLU B 21 -4.338 -2.868 -1.588 1.00 0.00 N ATOM 884 CA GLU B 21 -4.773 -2.564 -2.947 1.00 0.00 C ATOM 885 C GLU B 21 -5.865 -3.528 -3.401 1.00 0.00 C ATOM 886 O GLU B 21 -6.821 -3.131 -4.071 1.00 0.00 O ATOM 887 CB GLU B 21 -3.587 -2.630 -3.911 1.00 0.00 C ATOM 888 CG GLU B 21 -3.769 -1.794 -5.167 1.00 0.00 C ATOM 889 CD GLU B 21 -2.695 -2.054 -6.197 1.00 0.00 C ATOM 890 OE1 GLU B 21 -1.853 -1.161 -6.423 1.00 0.00 O ATOM 891 OE2 GLU B 21 -2.682 -3.156 -6.787 1.00 0.00 O ATOM 0 H GLU B 21 -3.344 -3.080 -1.502 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.182 -1.554 -2.951 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.689 -2.296 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.422 -3.668 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.745 -2.007 -5.603 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.763 -0.737 -4.900 1.00 0.00 H new ATOM 898 N ASN B 22 -5.720 -4.793 -3.029 1.00 0.00 N ATOM 899 CA ASN B 22 -6.705 -5.807 -3.381 1.00 0.00 C ATOM 900 C ASN B 22 -8.005 -5.596 -2.621 1.00 0.00 C ATOM 901 O ASN B 22 -9.089 -5.651 -3.206 1.00 0.00 O ATOM 902 CB ASN B 22 -6.167 -7.214 -3.108 1.00 0.00 C ATOM 903 CG ASN B 22 -5.142 -7.655 -4.134 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.194 -7.251 -5.295 1.00 0.00 O ATOM 905 ND2 ASN B 22 -4.206 -8.490 -3.717 1.00 0.00 N ATOM 0 H ASN B 22 -4.931 -5.141 -2.484 1.00 0.00 H new ATOM 0 HA ASN B 22 -6.905 -5.709 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -5.717 -7.241 -2.116 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -6.996 -7.921 -3.101 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -3.493 -8.822 -4.366 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -4.197 -8.802 -2.746 1.00 0.00 H new ATOM 912 N GLU B 23 -7.906 -5.330 -1.322 1.00 0.00 N ATOM 913 CA GLU B 23 -9.096 -5.175 -0.502 1.00 0.00 C ATOM 914 C GLU B 23 -9.811 -3.865 -0.835 1.00 0.00 C ATOM 915 O GLU B 23 -11.028 -3.767 -0.687 1.00 0.00 O ATOM 916 CB GLU B 23 -8.761 -5.274 0.995 1.00 0.00 C ATOM 917 CG GLU B 23 -8.189 -4.017 1.618 1.00 0.00 C ATOM 918 CD GLU B 23 -7.931 -4.195 3.100 1.00 0.00 C ATOM 919 OE1 GLU B 23 -6.775 -4.041 3.536 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.890 -4.508 3.840 1.00 0.00 O ATOM 0 H GLU B 23 -7.024 -5.219 -0.822 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.777 -5.995 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -9.667 -5.547 1.535 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -8.048 -6.086 1.137 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.259 -3.753 1.116 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -8.880 -3.188 1.466 1.00 0.00 H new ATOM 927 N VAL B 24 -9.050 -2.870 -1.301 1.00 0.00 N ATOM 928 CA VAL B 24 -9.630 -1.630 -1.813 1.00 0.00 C ATOM 929 C VAL B 24 -10.638 -1.947 -2.917 1.00 0.00 C ATOM 930 O VAL B 24 -11.804 -1.555 -2.847 1.00 0.00 O ATOM 931 CB VAL B 24 -8.552 -0.678 -2.393 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.193 0.472 -3.156 1.00 0.00 C ATOM 933 CG2 VAL B 24 -7.662 -0.131 -1.293 1.00 0.00 C ATOM 0 H VAL B 24 -8.031 -2.902 -1.333 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.116 -1.133 -0.974 1.00 0.00 H new ATOM 0 HB VAL B 24 -7.940 -1.258 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.415 1.124 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -9.788 0.076 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -9.836 1.041 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -6.915 0.534 -1.726 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.268 0.423 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.163 -0.956 -0.785 1.00 0.00 H new ATOM 943 N ALA B 25 -10.172 -2.676 -3.930 1.00 0.00 N ATOM 944 CA ALA B 25 -11.010 -3.055 -5.064 1.00 0.00 C ATOM 945 C ALA B 25 -12.239 -3.839 -4.610 1.00 0.00 C ATOM 946 O ALA B 25 -13.350 -3.601 -5.093 1.00 0.00 O ATOM 947 CB ALA B 25 -10.205 -3.866 -6.067 1.00 0.00 C ATOM 0 H ALA B 25 -9.212 -3.017 -3.987 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.357 -2.141 -5.545 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.842 -4.142 -6.907 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.367 -3.270 -6.428 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.828 -4.769 -5.586 1.00 0.00 H new ATOM 953 N ARG B 26 -12.032 -4.768 -3.680 1.00 0.00 N ATOM 954 CA ARG B 26 -13.121 -5.550 -3.113 1.00 0.00 C ATOM 955 C ARG B 26 -14.170 -4.643 -2.479 1.00 0.00 C ATOM 956 O ARG B 26 -15.359 -4.767 -2.757 1.00 0.00 O ATOM 957 CB ARG B 26 -12.577 -6.533 -2.073 1.00 0.00 C ATOM 958 CG ARG B 26 -13.660 -7.288 -1.317 1.00 0.00 C ATOM 959 CD ARG B 26 -13.069 -8.347 -0.404 1.00 0.00 C ATOM 960 NE ARG B 26 -12.428 -9.420 -1.160 1.00 0.00 N ATOM 961 CZ ARG B 26 -11.541 -10.275 -0.649 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.153 -10.164 0.617 1.00 0.00 N ATOM 963 NH2 ARG B 26 -11.044 -11.242 -1.407 1.00 0.00 N ATOM 0 H ARG B 26 -11.112 -4.997 -3.303 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.596 -6.110 -3.919 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -11.926 -7.252 -2.571 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -11.961 -5.987 -1.358 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -14.250 -6.586 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -14.340 -7.758 -2.027 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -12.340 -7.886 0.262 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -13.855 -8.765 0.224 1.00 0.00 H new ATOM 0 HE ARG B 26 -12.675 -9.522 -2.144 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -11.534 -9.422 1.204 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -10.474 -10.821 1.002 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -11.340 -11.331 -2.379 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -10.366 -11.897 -1.018 1.00 0.00 H new ATOM 977 N LEU B 27 -13.719 -3.723 -1.640 1.00 0.00 N ATOM 978 CA LEU B 27 -14.621 -2.819 -0.938 1.00 0.00 C ATOM 979 C LEU B 27 -15.399 -1.926 -1.907 1.00 0.00 C ATOM 980 O LEU B 27 -16.561 -1.598 -1.660 1.00 0.00 O ATOM 981 CB LEU B 27 -13.836 -1.974 0.067 1.00 0.00 C ATOM 982 CG LEU B 27 -13.203 -2.760 1.211 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.255 -1.875 1.999 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.275 -3.339 2.123 1.00 0.00 C ATOM 0 H LEU B 27 -12.731 -3.582 -1.427 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.352 -3.423 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.050 -1.439 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.504 -1.222 0.488 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.633 -3.587 0.787 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -11.811 -2.450 2.812 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.467 -1.509 1.341 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -12.805 -1.029 2.411 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.802 -3.896 2.932 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -14.873 -2.529 2.541 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -14.918 -4.007 1.550 1.00 0.00 H new ATOM 996 N LYS B 28 -14.771 -1.561 -3.021 1.00 0.00 N ATOM 997 CA LYS B 28 -15.408 -0.703 -4.014 1.00 0.00 C ATOM 998 C LYS B 28 -16.540 -1.432 -4.726 1.00 0.00 C ATOM 999 O LYS B 28 -17.623 -0.876 -4.915 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.382 -0.195 -5.031 1.00 0.00 C ATOM 1001 CG LYS B 28 -13.438 0.853 -4.469 1.00 0.00 C ATOM 1002 CD LYS B 28 -12.382 1.271 -5.480 1.00 0.00 C ATOM 1003 CE LYS B 28 -11.579 2.470 -4.990 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.409 3.701 -4.904 1.00 0.00 N ATOM 0 H LYS B 28 -13.821 -1.846 -3.258 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.831 0.153 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.798 -1.039 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.909 0.225 -5.888 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -14.010 1.728 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.950 0.460 -3.577 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.709 0.435 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -12.862 1.516 -6.428 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.158 2.248 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.741 2.645 -5.665 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.789 4.535 -4.851 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -13.014 3.772 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.005 3.659 -4.053 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.297 -2.677 -5.114 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.328 -3.476 -5.768 1.00 0.00 C ATOM 1020 C LYS B 29 -18.444 -3.839 -4.785 1.00 0.00 C ATOM 1021 O LYS B 29 -19.531 -4.243 -5.195 1.00 0.00 O ATOM 1022 CB LYS B 29 -16.731 -4.747 -6.384 1.00 0.00 C ATOM 1023 CG LYS B 29 -16.363 -5.816 -5.373 1.00 0.00 C ATOM 1024 CD LYS B 29 -15.786 -7.044 -6.053 1.00 0.00 C ATOM 1025 CE LYS B 29 -15.666 -8.214 -5.089 1.00 0.00 C ATOM 1026 NZ LYS B 29 -16.999 -8.741 -4.681 1.00 0.00 N ATOM 0 H LYS B 29 -15.404 -3.153 -4.989 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.755 -2.873 -6.569 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.447 -5.164 -7.093 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -15.840 -4.478 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.638 -5.415 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.247 -6.097 -4.800 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.421 -7.327 -6.893 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.804 -6.806 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -15.089 -9.011 -5.557 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -15.114 -7.899 -4.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -16.884 -9.683 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -17.429 -8.097 -3.987 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -17.615 -8.812 -5.516 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.166 -3.703 -3.490 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.161 -3.977 -2.456 1.00 0.00 C ATOM 1042 C LEU B 30 -20.082 -2.779 -2.255 1.00 0.00 C ATOM 1043 O LEU B 30 -21.302 -2.901 -2.354 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.491 -4.335 -1.125 1.00 0.00 C ATOM 1045 CG LEU B 30 -17.698 -5.643 -1.114 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.056 -5.862 0.248 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.592 -6.818 -1.470 1.00 0.00 C ATOM 0 H LEU B 30 -17.259 -3.404 -3.132 1.00 0.00 H new ATOM 0 HA LEU B 30 -19.753 -4.828 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -17.820 -3.522 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.261 -4.391 -0.355 1.00 0.00 H new ATOM 0 HG LEU B 30 -16.911 -5.571 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -16.495 -6.797 0.240 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -16.381 -5.036 0.469 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -17.832 -5.911 1.012 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.007 -7.738 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.402 -6.892 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.010 -6.669 -2.466 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.500 -1.620 -1.964 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.281 -0.407 -1.758 1.00 0.00 C ATOM 1061 C VAL B 31 -20.989 0.034 -3.048 1.00 0.00 C ATOM 1062 O VAL B 31 -22.077 0.610 -3.001 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.391 0.737 -1.222 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -18.310 1.121 -2.222 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -20.233 1.944 -0.850 1.00 0.00 C ATOM 0 H VAL B 31 -18.492 -1.496 -1.866 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.044 -0.636 -1.014 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.893 0.373 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -17.704 1.928 -1.811 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -17.676 0.257 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -18.775 1.453 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -19.586 2.737 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -20.769 2.299 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -20.949 1.664 -0.077 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.392 -0.260 -4.198 1.00 0.00 N ATOM 1076 CA GLY B 32 -21.013 0.077 -5.461 1.00 0.00 C ATOM 1077 C GLY B 32 -21.700 -1.119 -6.088 1.00 0.00 C ATOM 1078 O GLY B 32 -21.623 -1.325 -7.299 1.00 0.00 O ATOM 0 H GLY B 32 -19.488 -0.726 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -21.740 0.874 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.258 0.462 -6.146 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.354 -1.915 -5.258 1.00 0.00 N ATOM 1083 CA GLU B 33 -23.060 -3.099 -5.721 1.00 0.00 C ATOM 1084 C GLU B 33 -24.565 -2.858 -5.680 1.00 0.00 C ATOM 1085 O GLU B 33 -25.180 -3.060 -4.609 1.00 0.00 O ATOM 1086 CB GLU B 33 -22.680 -4.305 -4.851 1.00 0.00 C ATOM 1087 CG GLU B 33 -23.304 -5.617 -5.294 1.00 0.00 C ATOM 1088 CD GLU B 33 -22.900 -6.775 -4.408 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -22.120 -7.636 -4.867 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -23.360 -6.838 -3.251 1.00 0.00 O ATOM 1091 OXT GLU B 33 -25.128 -2.437 -6.710 1.00 0.00 O ATOM 0 H GLU B 33 -22.411 -1.761 -4.251 1.00 0.00 H new ATOM 0 HA GLU B 33 -22.773 -3.310 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -21.595 -4.413 -4.854 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -22.978 -4.104 -3.822 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -24.390 -5.520 -5.288 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -23.008 -5.829 -6.322 1.00 0.00 H new TER 1098 GLU B 33