USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 385 hydrogens (10 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 20 DAL H2 : B 20 DAL N : B 19 CYS C :(H bumps) USER MOD NoAdj-H: B 23 DAL H2 : B 23 DAL N : B 22 ARG C :(H bumps) USER MOD Set 1.1: A 1 GLY N :NH3+ 163:sc= 0 (180deg=-0.293) USER MOD Set 1.2: B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc=-0.00245 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00616 X(o=-0.0062,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.722 K(o=0.72,f=0) USER MOD Single : A 19 TYR OH : rot 105:sc= -4.83! USER MOD Single : A 21 ASN : amide:sc= -10.2! C(o=-10!,f=-19!) USER MOD Single : B 1 PHE N :NH3+ 157:sc= 0.476 (180deg=0.294) USER MOD Single : B 3 ASN : amide:sc= -0.367 K(o=-0.37,f=-4!) USER MOD Single : B 4 GLN :FLIP amide:sc= -2.76! C(o=-4.2!,f=-2.8!) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -0.97 F(o=-3,f=-0.97) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0521 USER MOD Single : B 10 HIS :FLIP no HE2:sc= 0.35 F(o=-2.2!,f=0.35) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 80:sc= -1.44 USER MOD Single : B 28 LYS NZ :NH3+ -150:sc= -0.0293 (180deg=-0.388) USER MOD Single : B 30 THR OG1 : rot -40:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.497 0.395 0.839 1.00 0.00 N ATOM 2 CA GLY A 1 -7.970 1.774 0.383 1.00 0.00 C ATOM 3 C GLY A 1 -7.429 2.995 1.047 1.00 0.00 C ATOM 4 O GLY A 1 -8.166 3.884 1.424 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.158 -0.330 0.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.549 0.209 0.455 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.461 0.366 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.752 1.858 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.055 1.798 0.489 1.00 0.00 H new ATOM 10 N ILE A 2 -6.137 3.073 1.205 1.00 0.00 N ATOM 11 CA ILE A 2 -5.538 4.271 1.858 1.00 0.00 C ATOM 12 C ILE A 2 -5.008 5.218 0.782 1.00 0.00 C ATOM 13 O ILE A 2 -4.184 6.074 1.040 1.00 0.00 O ATOM 14 CB ILE A 2 -4.398 3.828 2.776 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.075 4.951 3.764 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.152 3.503 1.947 1.00 0.00 C ATOM 17 CD1 ILE A 2 -4.996 4.843 4.981 1.00 0.00 C ATOM 0 H ILE A 2 -5.470 2.360 0.910 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.292 4.789 2.450 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.705 2.936 3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.033 4.886 4.077 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.203 5.921 3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.346 3.189 2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.380 2.700 1.247 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.842 4.389 1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.765 5.643 5.684 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.034 4.930 4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.846 3.879 5.467 1.00 0.00 H new ATOM 29 N VAL A 3 -5.479 5.060 -0.422 1.00 0.00 N ATOM 30 CA VAL A 3 -5.024 5.932 -1.540 1.00 0.00 C ATOM 31 C VAL A 3 -4.885 7.374 -1.039 1.00 0.00 C ATOM 32 O VAL A 3 -3.951 8.073 -1.383 1.00 0.00 O ATOM 33 CB VAL A 3 -6.057 5.848 -2.676 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.094 7.151 -3.476 1.00 0.00 C ATOM 35 CG2 VAL A 3 -5.681 4.698 -3.611 1.00 0.00 C ATOM 0 H VAL A 3 -6.169 4.355 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.053 5.603 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.041 5.678 -2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.832 7.067 -4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.365 7.975 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.112 7.340 -3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.410 4.633 -4.419 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.691 4.878 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.674 3.762 -3.052 1.00 0.00 H new ATOM 45 N GLU A 4 -5.803 7.825 -0.234 1.00 0.00 N ATOM 46 CA GLU A 4 -5.718 9.220 0.284 1.00 0.00 C ATOM 47 C GLU A 4 -4.321 9.467 0.858 1.00 0.00 C ATOM 48 O GLU A 4 -3.843 10.584 0.890 1.00 0.00 O ATOM 49 CB GLU A 4 -6.765 9.421 1.383 1.00 0.00 C ATOM 50 CG GLU A 4 -7.495 10.746 1.160 1.00 0.00 C ATOM 51 CD GLU A 4 -8.754 10.503 0.329 1.00 0.00 C ATOM 52 OE1 GLU A 4 -8.625 10.350 -0.875 1.00 0.00 O ATOM 53 OE2 GLU A 4 -9.827 10.474 0.908 1.00 0.00 O ATOM 0 H GLU A 4 -6.609 7.290 0.089 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.906 9.922 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.477 8.596 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.285 9.419 2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.760 11.193 2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.840 11.452 0.649 1.00 0.00 H new ATOM 60 N GLN A 5 -3.665 8.437 1.320 1.00 0.00 N ATOM 61 CA GLN A 5 -2.304 8.620 1.901 1.00 0.00 C ATOM 62 C GLN A 5 -1.237 8.106 0.926 1.00 0.00 C ATOM 63 O GLN A 5 -0.214 8.731 0.734 1.00 0.00 O ATOM 64 CB GLN A 5 -2.204 7.844 3.214 1.00 0.00 C ATOM 65 CG GLN A 5 -0.952 8.283 3.974 1.00 0.00 C ATOM 66 CD GLN A 5 -1.196 8.153 5.478 1.00 0.00 C ATOM 67 OE1 GLN A 5 -1.367 9.140 6.166 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.218 6.967 6.022 1.00 0.00 N ATOM 0 H GLN A 5 -4.012 7.478 1.320 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.137 9.682 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.091 8.021 3.822 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.163 6.773 3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.101 7.670 3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.704 9.314 3.723 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.075 6.138 5.445 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.379 6.869 7.024 1.00 0.00 H new ATOM 77 N CYS A 6 -1.461 6.972 0.319 1.00 0.00 N ATOM 78 CA CYS A 6 -0.445 6.426 -0.628 1.00 0.00 C ATOM 79 C CYS A 6 -0.582 7.108 -1.992 1.00 0.00 C ATOM 80 O CYS A 6 0.131 6.795 -2.925 1.00 0.00 O ATOM 81 CB CYS A 6 -0.653 4.918 -0.785 1.00 0.00 C ATOM 82 SG CYS A 6 -0.453 4.104 0.822 1.00 0.00 S ATOM 0 H CYS A 6 -2.299 6.402 0.436 1.00 0.00 H new ATOM 0 HA CYS A 6 0.553 6.618 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.647 4.718 -1.184 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.064 4.515 -1.500 1.00 0.00 H new ATOM 87 N CYS A 7 -1.484 8.041 -2.114 1.00 0.00 N ATOM 88 CA CYS A 7 -1.653 8.744 -3.418 1.00 0.00 C ATOM 89 C CYS A 7 -1.561 10.253 -3.188 1.00 0.00 C ATOM 90 O CYS A 7 -0.791 10.943 -3.826 1.00 0.00 O ATOM 91 CB CYS A 7 -3.017 8.399 -4.016 1.00 0.00 C ATOM 92 SG CYS A 7 -3.178 9.174 -5.643 1.00 0.00 S ATOM 0 H CYS A 7 -2.111 8.347 -1.370 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.870 8.429 -4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.124 7.318 -4.105 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.813 8.745 -3.356 1.00 0.00 H new ATOM 97 N THR A 8 -2.339 10.768 -2.276 1.00 0.00 N ATOM 98 CA THR A 8 -2.296 12.229 -1.999 1.00 0.00 C ATOM 99 C THR A 8 -1.154 12.525 -1.025 1.00 0.00 C ATOM 100 O THR A 8 -0.688 13.642 -0.917 1.00 0.00 O ATOM 101 CB THR A 8 -3.625 12.662 -1.377 1.00 0.00 C ATOM 102 OG1 THR A 8 -4.699 12.122 -2.135 1.00 0.00 O ATOM 103 CG2 THR A 8 -3.715 14.186 -1.377 1.00 0.00 C ATOM 0 H THR A 8 -3.003 10.239 -1.711 1.00 0.00 H new ATOM 0 HA THR A 8 -2.132 12.777 -2.927 1.00 0.00 H new ATOM 0 HB THR A 8 -3.684 12.296 -0.352 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.551 12.397 -1.737 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.662 14.495 -0.934 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.891 14.599 -0.796 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.657 14.554 -2.401 1.00 0.00 H new ATOM 111 N SER A 9 -0.694 11.527 -0.318 1.00 0.00 N ATOM 112 CA SER A 9 0.421 11.746 0.646 1.00 0.00 C ATOM 113 C SER A 9 1.575 10.801 0.308 1.00 0.00 C ATOM 114 O SER A 9 1.743 10.394 -0.825 1.00 0.00 O ATOM 115 CB SER A 9 -0.070 11.466 2.066 1.00 0.00 C ATOM 116 OG SER A 9 0.586 12.343 2.972 1.00 0.00 O ATOM 0 H SER A 9 -1.043 10.570 -0.367 1.00 0.00 H new ATOM 0 HA SER A 9 0.764 12.778 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.149 11.606 2.124 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.132 10.429 2.335 1.00 0.00 H new ATOM 0 HG SER A 9 0.272 12.167 3.883 1.00 0.00 H new ATOM 122 N ILE A 10 2.371 10.446 1.279 1.00 0.00 N ATOM 123 CA ILE A 10 3.513 9.530 1.007 1.00 0.00 C ATOM 124 C ILE A 10 3.182 8.132 1.535 1.00 0.00 C ATOM 125 O ILE A 10 2.325 7.962 2.379 1.00 0.00 O ATOM 126 CB ILE A 10 4.765 10.061 1.705 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.269 11.303 0.969 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.855 8.987 1.691 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.319 12.473 1.234 1.00 0.00 C ATOM 0 H ILE A 10 2.280 10.751 2.248 1.00 0.00 H new ATOM 0 HA ILE A 10 3.692 9.476 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 10 4.522 10.319 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.275 11.554 1.304 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.330 11.105 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.747 9.367 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.498 8.100 2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.098 8.728 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.678 13.359 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.321 12.219 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.281 12.676 2.304 1.00 0.00 H new ATOM 141 N CYS A 11 3.855 7.128 1.040 1.00 0.00 N ATOM 142 CA CYS A 11 3.580 5.741 1.510 1.00 0.00 C ATOM 143 C CYS A 11 4.807 4.862 1.251 1.00 0.00 C ATOM 144 O CYS A 11 5.260 4.729 0.132 1.00 0.00 O ATOM 145 CB CYS A 11 2.380 5.172 0.749 1.00 0.00 C ATOM 146 SG CYS A 11 0.909 5.231 1.804 1.00 0.00 S ATOM 0 H CYS A 11 4.583 7.209 0.330 1.00 0.00 H new ATOM 0 HA CYS A 11 3.361 5.757 2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.210 5.745 -0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.582 4.145 0.447 1.00 0.00 H new ATOM 151 N SER A 12 5.343 4.257 2.275 1.00 0.00 N ATOM 152 CA SER A 12 6.536 3.385 2.085 1.00 0.00 C ATOM 153 C SER A 12 6.080 1.934 1.920 1.00 0.00 C ATOM 154 O SER A 12 5.115 1.508 2.521 1.00 0.00 O ATOM 155 CB SER A 12 7.451 3.499 3.306 1.00 0.00 C ATOM 156 OG SER A 12 6.690 3.271 4.484 1.00 0.00 O ATOM 0 H SER A 12 5.006 4.329 3.235 1.00 0.00 H new ATOM 0 HA SER A 12 7.081 3.699 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.262 2.774 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.909 4.487 3.341 1.00 0.00 H new ATOM 0 HG SER A 12 7.273 3.342 5.269 1.00 0.00 H new ATOM 162 N LEU A 13 6.761 1.171 1.109 1.00 0.00 N ATOM 163 CA LEU A 13 6.351 -0.248 0.912 1.00 0.00 C ATOM 164 C LEU A 13 6.185 -0.924 2.272 1.00 0.00 C ATOM 165 O LEU A 13 5.477 -1.902 2.406 1.00 0.00 O ATOM 166 CB LEU A 13 7.413 -0.988 0.100 1.00 0.00 C ATOM 167 CG LEU A 13 8.665 -1.186 0.952 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.933 -2.683 1.129 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.857 -0.536 0.251 1.00 0.00 C ATOM 0 H LEU A 13 7.579 1.467 0.577 1.00 0.00 H new ATOM 0 HA LEU A 13 5.404 -0.276 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.027 -1.954 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.658 -0.422 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 13 8.518 -0.727 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.827 -2.823 1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.081 -3.149 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.083 -3.144 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.754 -0.674 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.002 -0.999 -0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.667 0.530 0.123 1.00 0.00 H new ATOM 181 N TYR A 14 6.820 -0.407 3.285 1.00 0.00 N ATOM 182 CA TYR A 14 6.681 -1.022 4.632 1.00 0.00 C ATOM 183 C TYR A 14 5.216 -0.937 5.059 1.00 0.00 C ATOM 184 O TYR A 14 4.598 -1.926 5.401 1.00 0.00 O ATOM 185 CB TYR A 14 7.555 -0.268 5.637 1.00 0.00 C ATOM 186 CG TYR A 14 7.741 -1.114 6.874 1.00 0.00 C ATOM 187 CD1 TYR A 14 6.818 -1.029 7.924 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.835 -1.984 6.972 1.00 0.00 C ATOM 189 CE1 TYR A 14 6.989 -1.813 9.074 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.006 -2.770 8.119 1.00 0.00 C ATOM 191 CZ TYR A 14 8.083 -2.684 9.170 1.00 0.00 C ATOM 192 OH TYR A 14 8.251 -3.456 10.301 1.00 0.00 O ATOM 0 H TYR A 14 7.427 0.412 3.239 1.00 0.00 H new ATOM 0 HA TYR A 14 7.000 -2.064 4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.523 -0.037 5.192 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.090 0.682 5.899 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.974 -0.359 7.848 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.547 -2.049 6.163 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.279 -1.746 9.885 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.848 -3.442 8.193 1.00 0.00 H new ATOM 0 HH TYR A 14 9.057 -4.005 10.206 1.00 0.00 H new ATOM 202 N GLN A 15 4.652 0.240 5.027 1.00 0.00 N ATOM 203 CA GLN A 15 3.223 0.392 5.416 1.00 0.00 C ATOM 204 C GLN A 15 2.364 -0.443 4.470 1.00 0.00 C ATOM 205 O GLN A 15 1.440 -1.117 4.880 1.00 0.00 O ATOM 206 CB GLN A 15 2.816 1.863 5.311 1.00 0.00 C ATOM 207 CG GLN A 15 2.997 2.543 6.670 1.00 0.00 C ATOM 208 CD GLN A 15 4.210 3.472 6.617 1.00 0.00 C ATOM 209 OE1 GLN A 15 4.114 4.589 6.149 1.00 0.00 O ATOM 210 NE2 GLN A 15 5.355 3.055 7.081 1.00 0.00 N ATOM 0 H GLN A 15 5.120 1.102 4.748 1.00 0.00 H new ATOM 0 HA GLN A 15 3.081 0.054 6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.422 2.366 4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.778 1.942 4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.102 3.110 6.927 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.134 1.793 7.449 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.435 2.117 7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.171 3.667 7.051 1.00 0.00 H new ATOM 219 N LEU A 16 2.671 -0.409 3.204 1.00 0.00 N ATOM 220 CA LEU A 16 1.887 -1.200 2.221 1.00 0.00 C ATOM 221 C LEU A 16 1.811 -2.655 2.673 1.00 0.00 C ATOM 222 O LEU A 16 0.760 -3.264 2.674 1.00 0.00 O ATOM 223 CB LEU A 16 2.593 -1.147 0.874 1.00 0.00 C ATOM 224 CG LEU A 16 2.151 0.093 0.111 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.856 0.111 -1.237 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.635 0.054 -0.102 1.00 0.00 C ATOM 0 H LEU A 16 3.436 0.137 2.807 1.00 0.00 H new ATOM 0 HA LEU A 16 0.881 -0.787 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.673 -1.130 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.363 -2.042 0.297 1.00 0.00 H new ATOM 0 HG LEU A 16 2.406 0.989 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.549 0.995 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.935 0.135 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.590 -0.784 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.321 0.943 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.371 -0.835 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.132 0.026 0.865 1.00 0.00 H new ATOM 238 N GLU A 17 2.924 -3.223 3.043 1.00 0.00 N ATOM 239 CA GLU A 17 2.922 -4.644 3.476 1.00 0.00 C ATOM 240 C GLU A 17 1.776 -4.884 4.461 1.00 0.00 C ATOM 241 O GLU A 17 1.306 -5.992 4.621 1.00 0.00 O ATOM 242 CB GLU A 17 4.255 -4.980 4.148 1.00 0.00 C ATOM 243 CG GLU A 17 4.193 -6.396 4.721 1.00 0.00 C ATOM 244 CD GLU A 17 5.514 -7.118 4.445 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.530 -6.665 4.945 1.00 0.00 O ATOM 246 OE2 GLU A 17 5.486 -8.111 3.735 1.00 0.00 O ATOM 0 H GLU A 17 3.834 -2.763 3.064 1.00 0.00 H new ATOM 0 HA GLU A 17 2.786 -5.283 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.068 -4.903 3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.465 -4.264 4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.005 -6.357 5.794 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.366 -6.945 4.272 1.00 0.00 H new ATOM 253 N ASN A 18 1.321 -3.854 5.123 1.00 0.00 N ATOM 254 CA ASN A 18 0.206 -4.027 6.096 1.00 0.00 C ATOM 255 C ASN A 18 -1.061 -4.455 5.354 1.00 0.00 C ATOM 256 O ASN A 18 -2.050 -4.823 5.958 1.00 0.00 O ATOM 257 CB ASN A 18 -0.051 -2.704 6.821 1.00 0.00 C ATOM 258 CG ASN A 18 -0.416 -2.983 8.281 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.163 -2.411 9.182 1.00 0.00 O ATOM 260 ND2 ASN A 18 -1.360 -3.841 8.553 1.00 0.00 N ATOM 0 H ASN A 18 1.674 -2.901 5.032 1.00 0.00 H new ATOM 0 HA ASN A 18 0.477 -4.793 6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.836 -2.072 6.771 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.858 -2.160 6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.612 -4.032 9.523 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.846 -4.321 7.796 1.00 0.00 H new ATOM 267 N TYR A 19 -1.044 -4.410 4.050 1.00 0.00 N ATOM 268 CA TYR A 19 -2.252 -4.816 3.277 1.00 0.00 C ATOM 269 C TYR A 19 -2.123 -6.283 2.865 1.00 0.00 C ATOM 270 O TYR A 19 -3.069 -6.896 2.410 1.00 0.00 O ATOM 271 CB TYR A 19 -2.377 -3.939 2.031 1.00 0.00 C ATOM 272 CG TYR A 19 -2.595 -2.506 2.451 1.00 0.00 C ATOM 273 CD1 TYR A 19 -3.482 -2.209 3.495 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.913 -1.470 1.796 1.00 0.00 C ATOM 275 CE1 TYR A 19 -3.684 -0.878 3.886 1.00 0.00 C ATOM 276 CE2 TYR A 19 -2.116 -0.140 2.187 1.00 0.00 C ATOM 277 CZ TYR A 19 -3.002 0.156 3.230 1.00 0.00 C ATOM 278 OH TYR A 19 -3.203 1.466 3.616 1.00 0.00 O ATOM 0 H TYR A 19 -0.248 -4.110 3.487 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.141 -4.692 3.896 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.475 -4.019 1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.208 -4.280 1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.010 -3.006 3.998 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.231 -1.698 0.990 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.365 -0.649 4.692 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.589 0.657 1.684 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.427 1.779 4.127 1.00 0.00 H new ATOM 288 N CYS A 20 -0.961 -6.852 3.024 1.00 0.00 N ATOM 289 CA CYS A 20 -0.771 -8.280 2.646 1.00 0.00 C ATOM 290 C CYS A 20 -1.835 -9.132 3.342 1.00 0.00 C ATOM 291 O CYS A 20 -2.123 -8.950 4.508 1.00 0.00 O ATOM 292 CB CYS A 20 0.619 -8.740 3.090 1.00 0.00 C ATOM 293 SG CYS A 20 1.326 -9.826 1.830 1.00 0.00 S ATOM 0 H CYS A 20 -0.133 -6.389 3.400 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.864 -8.390 1.566 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.266 -7.877 3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.553 -9.266 4.043 1.00 0.00 H new ATOM 298 N ASN A 21 -2.421 -10.061 2.639 1.00 0.00 N ATOM 299 CA ASN A 21 -3.464 -10.922 3.265 1.00 0.00 C ATOM 300 C ASN A 21 -2.844 -12.265 3.662 1.00 0.00 C ATOM 301 O ASN A 21 -3.504 -13.275 3.487 1.00 0.00 O ATOM 302 CB ASN A 21 -4.601 -11.159 2.269 1.00 0.00 C ATOM 303 CG ASN A 21 -4.142 -12.138 1.185 1.00 0.00 C ATOM 304 OD1 ASN A 21 -2.962 -12.386 1.035 1.00 0.00 O ATOM 305 ND2 ASN A 21 -5.032 -12.707 0.419 1.00 0.00 N ATOM 306 OXT ASN A 21 -1.719 -12.258 4.135 1.00 0.00 O ATOM 0 H ASN A 21 -2.223 -10.261 1.659 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.859 -10.426 4.152 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.474 -11.558 2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.903 -10.215 1.816 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.737 -13.361 -0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.022 -12.498 0.546 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 11.656 1.590 -2.957 1.00 0.00 N ATOM 315 CA PHE B 1 10.369 2.326 -2.794 1.00 0.00 C ATOM 316 C PHE B 1 10.425 3.174 -1.522 1.00 0.00 C ATOM 317 O PHE B 1 10.125 2.710 -0.440 1.00 0.00 O ATOM 318 CB PHE B 1 9.219 1.323 -2.690 1.00 0.00 C ATOM 319 CG PHE B 1 9.229 0.417 -3.898 1.00 0.00 C ATOM 320 CD1 PHE B 1 9.505 0.947 -5.166 1.00 0.00 C ATOM 321 CD2 PHE B 1 8.963 -0.950 -3.752 1.00 0.00 C ATOM 322 CE1 PHE B 1 9.516 0.106 -6.287 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.973 -1.790 -4.874 1.00 0.00 C ATOM 324 CZ PHE B 1 9.249 -1.261 -6.141 1.00 0.00 C ATOM 0 H1 PHE B 1 11.504 0.752 -3.554 1.00 0.00 H new ATOM 0 H2 PHE B 1 12.357 2.213 -3.406 1.00 0.00 H new ATOM 0 H3 PHE B 1 12.006 1.291 -2.024 1.00 0.00 H new ATOM 0 HA PHE B 1 10.208 2.974 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE B 1 9.319 0.733 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE B 1 8.267 1.850 -2.626 1.00 0.00 H new ATOM 0 HD1 PHE B 1 9.709 2.002 -5.279 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.750 -1.357 -2.775 1.00 0.00 H new ATOM 0 HE1 PHE B 1 9.731 0.512 -7.264 1.00 0.00 H new ATOM 0 HE2 PHE B 1 8.768 -2.844 -4.762 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.256 -1.908 -7.006 1.00 0.00 H new ATOM 336 N VAL B 2 10.807 4.416 -1.645 1.00 0.00 N ATOM 337 CA VAL B 2 10.883 5.295 -0.445 1.00 0.00 C ATOM 338 C VAL B 2 10.376 6.693 -0.806 1.00 0.00 C ATOM 339 O VAL B 2 10.795 7.281 -1.783 1.00 0.00 O ATOM 340 CB VAL B 2 12.334 5.386 0.030 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.653 4.194 0.935 1.00 0.00 C ATOM 342 CG2 VAL B 2 13.265 5.364 -1.183 1.00 0.00 C ATOM 0 H VAL B 2 11.070 4.860 -2.525 1.00 0.00 H new ATOM 0 HA VAL B 2 10.266 4.878 0.351 1.00 0.00 H new ATOM 0 HB VAL B 2 12.477 6.312 0.586 1.00 0.00 H new ATOM 0 HG11 VAL B 2 13.687 4.260 1.273 1.00 0.00 H new ATOM 0 HG12 VAL B 2 11.988 4.205 1.799 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.511 3.267 0.379 1.00 0.00 H new ATOM 0 HG21 VAL B 2 14.300 5.429 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL B 2 13.120 4.436 -1.736 1.00 0.00 H new ATOM 0 HG23 VAL B 2 13.039 6.211 -1.830 1.00 0.00 H new ATOM 352 N ASN B 3 9.476 7.229 -0.028 1.00 0.00 N ATOM 353 CA ASN B 3 8.943 8.588 -0.331 1.00 0.00 C ATOM 354 C ASN B 3 8.471 8.639 -1.779 1.00 0.00 C ATOM 355 O ASN B 3 9.162 9.125 -2.653 1.00 0.00 O ATOM 356 CB ASN B 3 10.040 9.630 -0.112 1.00 0.00 C ATOM 357 CG ASN B 3 10.003 10.112 1.339 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.162 9.694 2.108 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.886 10.981 1.748 1.00 0.00 N ATOM 0 H ASN B 3 9.087 6.785 0.804 1.00 0.00 H new ATOM 0 HA ASN B 3 8.104 8.803 0.331 1.00 0.00 H new ATOM 0 HB2 ASN B 3 11.016 9.200 -0.339 1.00 0.00 H new ATOM 0 HB3 ASN B 3 9.897 10.472 -0.790 1.00 0.00 H new ATOM 0 HD21 ASN B 3 10.870 11.309 2.714 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.593 11.332 1.102 1.00 0.00 H new ATOM 366 N GLN B 4 7.295 8.141 -2.042 1.00 0.00 N ATOM 367 CA GLN B 4 6.781 8.164 -3.435 1.00 0.00 C ATOM 368 C GLN B 4 5.261 7.990 -3.423 1.00 0.00 C ATOM 369 O GLN B 4 4.742 7.021 -2.907 1.00 0.00 O ATOM 370 CB GLN B 4 7.421 7.023 -4.224 1.00 0.00 C ATOM 371 CG GLN B 4 7.786 7.528 -5.617 1.00 0.00 C ATOM 372 CD GLN B 4 7.753 6.366 -6.610 1.00 0.00 C ATOM 373 OE1 GLN B 4 6.849 6.353 -7.552 1.00 0.00 O flip ATOM 374 NE2 GLN B 4 8.559 5.461 -6.530 1.00 0.00 N flip ATOM 0 H GLN B 4 6.671 7.721 -1.353 1.00 0.00 H new ATOM 0 HA GLN B 4 7.029 9.117 -3.902 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.311 6.662 -3.709 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.731 6.182 -4.297 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.087 8.305 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN B 4 8.778 7.979 -5.603 1.00 0.00 H new ATOM 0 HE21 GLN B 4 9.265 5.471 -5.794 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.530 4.691 -7.199 1.00 0.00 H new ATOM 383 N HIS B 5 4.543 8.923 -3.987 1.00 0.00 N ATOM 384 CA HIS B 5 3.055 8.806 -4.006 1.00 0.00 C ATOM 385 C HIS B 5 2.629 7.953 -5.203 1.00 0.00 C ATOM 386 O HIS B 5 2.919 8.273 -6.338 1.00 0.00 O ATOM 387 CB HIS B 5 2.421 10.197 -4.130 1.00 0.00 C ATOM 388 CG HIS B 5 3.338 11.238 -3.547 1.00 0.00 C ATOM 389 ND1 HIS B 5 3.888 11.358 -2.301 1.00 0.00 N flip ATOM 390 CD2 HIS B 5 3.775 12.309 -4.295 1.00 0.00 C flip ATOM 391 CE1 HIS B 5 4.666 12.497 -2.267 1.00 0.00 C flip ATOM 392 NE2 HIS B 5 4.567 13.040 -3.497 1.00 0.00 N flip ATOM 0 H HIS B 5 4.920 9.759 -4.434 1.00 0.00 H new ATOM 0 HA HIS B 5 2.722 8.339 -3.079 1.00 0.00 H new ATOM 0 HB2 HIS B 5 2.222 10.422 -5.178 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.462 10.215 -3.612 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.528 12.519 -5.325 1.00 0.00 H new ATOM 0 HE1 HIS B 5 5.235 12.874 -1.430 1.00 0.00 H new ATOM 0 HE2 HIS B 5 5.036 13.899 -3.785 1.00 0.00 H new ATOM 400 N LEU B 6 1.941 6.872 -4.961 1.00 0.00 N ATOM 401 CA LEU B 6 1.495 6.008 -6.089 1.00 0.00 C ATOM 402 C LEU B 6 -0.027 5.872 -6.048 1.00 0.00 C ATOM 403 O LEU B 6 -0.639 5.957 -5.002 1.00 0.00 O ATOM 404 CB LEU B 6 2.136 4.625 -5.961 1.00 0.00 C ATOM 405 CG LEU B 6 3.643 4.725 -6.208 1.00 0.00 C ATOM 406 CD1 LEU B 6 4.210 3.324 -6.441 1.00 0.00 C ATOM 407 CD2 LEU B 6 3.912 5.588 -7.443 1.00 0.00 C ATOM 0 H LEU B 6 1.669 6.550 -4.032 1.00 0.00 H new ATOM 0 HA LEU B 6 1.797 6.458 -7.035 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.948 4.218 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.686 3.938 -6.678 1.00 0.00 H new ATOM 0 HG LEU B 6 4.120 5.179 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU B 6 5.284 3.391 -6.617 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.024 2.706 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.727 2.876 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.987 5.655 -7.613 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.434 5.137 -8.313 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.507 6.587 -7.284 1.00 0.00 H new ATOM 419 N CYS B 7 -0.644 5.662 -7.178 1.00 0.00 N ATOM 420 CA CYS B 7 -2.127 5.523 -7.200 1.00 0.00 C ATOM 421 C CYS B 7 -2.526 4.480 -8.245 1.00 0.00 C ATOM 422 O CYS B 7 -1.692 3.785 -8.790 1.00 0.00 O ATOM 423 CB CYS B 7 -2.762 6.870 -7.559 1.00 0.00 C ATOM 424 SG CYS B 7 -1.821 8.209 -6.786 1.00 0.00 S ATOM 0 H CYS B 7 -0.186 5.581 -8.086 1.00 0.00 H new ATOM 0 HA CYS B 7 -2.476 5.206 -6.217 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.777 7.000 -8.641 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -3.798 6.897 -7.221 1.00 0.00 H new ATOM 429 N GLY B 8 -3.794 4.369 -8.525 1.00 0.00 N ATOM 430 CA GLY B 8 -4.255 3.375 -9.536 1.00 0.00 C ATOM 431 C GLY B 8 -3.496 2.058 -9.360 1.00 0.00 C ATOM 432 O GLY B 8 -2.923 1.791 -8.320 1.00 0.00 O ATOM 0 H GLY B 8 -4.534 4.925 -8.096 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.326 3.204 -9.428 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -4.094 3.765 -10.541 1.00 0.00 H new ATOM 436 N SER B 9 -3.490 1.232 -10.369 1.00 0.00 N ATOM 437 CA SER B 9 -2.773 -0.069 -10.264 1.00 0.00 C ATOM 438 C SER B 9 -1.317 0.178 -9.860 1.00 0.00 C ATOM 439 O SER B 9 -0.656 -0.687 -9.320 1.00 0.00 O ATOM 440 CB SER B 9 -2.812 -0.782 -11.614 1.00 0.00 C ATOM 441 OG SER B 9 -2.871 0.182 -12.657 1.00 0.00 O ATOM 0 H SER B 9 -3.951 1.402 -11.263 1.00 0.00 H new ATOM 0 HA SER B 9 -3.258 -0.689 -9.510 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.928 -1.408 -11.732 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.678 -1.441 -11.664 1.00 0.00 H new ATOM 0 HG SER B 9 -2.894 -0.275 -13.524 1.00 0.00 H new ATOM 447 N HIS B 10 -0.812 1.351 -10.115 1.00 0.00 N ATOM 448 CA HIS B 10 0.605 1.648 -9.746 1.00 0.00 C ATOM 449 C HIS B 10 0.783 1.485 -8.237 1.00 0.00 C ATOM 450 O HIS B 10 1.587 0.698 -7.778 1.00 0.00 O ATOM 451 CB HIS B 10 0.963 3.086 -10.143 1.00 0.00 C ATOM 452 CG HIS B 10 0.234 3.467 -11.401 1.00 0.00 C ATOM 453 ND1 HIS B 10 -0.988 4.051 -11.586 1.00 0.00 N flip ATOM 454 CD2 HIS B 10 0.779 3.245 -12.648 1.00 0.00 C flip ATOM 455 CE1 HIS B 10 -1.212 4.194 -12.939 1.00 0.00 C flip ATOM 456 NE2 HIS B 10 -0.113 3.694 -13.543 1.00 0.00 N flip ATOM 0 H HIS B 10 -1.315 2.118 -10.562 1.00 0.00 H new ATOM 0 HA HIS B 10 1.261 0.956 -10.274 1.00 0.00 H new ATOM 0 HB2 HIS B 10 0.699 3.771 -9.338 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.039 3.173 -10.295 1.00 0.00 H new ATOM 0 HD1 HIS B 10 -1.629 4.334 -10.845 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.738 2.797 -12.862 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -2.084 4.617 -13.416 1.00 0.00 H new ATOM 464 N LEU B 11 0.043 2.226 -7.460 1.00 0.00 N ATOM 465 CA LEU B 11 0.179 2.115 -5.983 1.00 0.00 C ATOM 466 C LEU B 11 0.047 0.645 -5.562 1.00 0.00 C ATOM 467 O LEU B 11 0.726 0.189 -4.662 1.00 0.00 O ATOM 468 CB LEU B 11 -0.888 2.979 -5.304 1.00 0.00 C ATOM 469 CG LEU B 11 -2.131 2.154 -4.994 1.00 0.00 C ATOM 470 CD1 LEU B 11 -1.925 1.409 -3.676 1.00 0.00 C ATOM 471 CD2 LEU B 11 -3.316 3.092 -4.868 1.00 0.00 C ATOM 0 H LEU B 11 -0.649 2.902 -7.784 1.00 0.00 H new ATOM 0 HA LEU B 11 1.161 2.473 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -0.488 3.403 -4.383 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.152 3.815 -5.951 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.313 1.432 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.812 0.817 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -1.061 0.750 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -1.755 2.128 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.214 2.516 -4.646 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -3.133 3.803 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.454 3.632 -5.805 1.00 0.00 H new ATOM 483 N VAL B 12 -0.804 -0.105 -6.211 1.00 0.00 N ATOM 484 CA VAL B 12 -0.937 -1.546 -5.832 1.00 0.00 C ATOM 485 C VAL B 12 0.182 -2.334 -6.497 1.00 0.00 C ATOM 486 O VAL B 12 0.694 -3.280 -5.939 1.00 0.00 O ATOM 487 CB VAL B 12 -2.294 -2.128 -6.240 1.00 0.00 C ATOM 488 CG1 VAL B 12 -3.195 -2.196 -5.014 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.968 -1.254 -7.291 1.00 0.00 C ATOM 0 H VAL B 12 -1.404 0.208 -6.974 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.867 -1.620 -4.747 1.00 0.00 H new ATOM 0 HB VAL B 12 -2.132 -3.122 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -4.163 -2.609 -5.296 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.735 -2.833 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.333 -1.194 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.930 -1.689 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.124 -0.254 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.333 -1.193 -8.175 1.00 0.00 H new ATOM 499 N GLU B 13 0.596 -1.942 -7.670 1.00 0.00 N ATOM 500 CA GLU B 13 1.711 -2.674 -8.326 1.00 0.00 C ATOM 501 C GLU B 13 2.820 -2.817 -7.289 1.00 0.00 C ATOM 502 O GLU B 13 3.541 -3.793 -7.251 1.00 0.00 O ATOM 503 CB GLU B 13 2.224 -1.886 -9.531 1.00 0.00 C ATOM 504 CG GLU B 13 1.195 -1.951 -10.661 1.00 0.00 C ATOM 505 CD GLU B 13 1.696 -2.895 -11.756 1.00 0.00 C ATOM 506 OE1 GLU B 13 2.889 -2.896 -12.010 1.00 0.00 O ATOM 507 OE2 GLU B 13 0.878 -3.603 -12.321 1.00 0.00 O ATOM 0 H GLU B 13 0.215 -1.156 -8.196 1.00 0.00 H new ATOM 0 HA GLU B 13 1.377 -3.649 -8.681 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.405 -0.849 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU B 13 3.176 -2.296 -9.868 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.237 -2.301 -10.275 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.028 -0.956 -11.073 1.00 0.00 H new ATOM 514 N ALA B 14 2.920 -1.850 -6.415 1.00 0.00 N ATOM 515 CA ALA B 14 3.934 -1.919 -5.334 1.00 0.00 C ATOM 516 C ALA B 14 3.463 -2.975 -4.339 1.00 0.00 C ATOM 517 O ALA B 14 4.173 -3.906 -4.020 1.00 0.00 O ATOM 518 CB ALA B 14 4.039 -0.558 -4.643 1.00 0.00 C ATOM 0 H ALA B 14 2.337 -1.013 -6.408 1.00 0.00 H new ATOM 0 HA ALA B 14 4.915 -2.178 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA B 14 4.784 -0.610 -3.849 1.00 0.00 H new ATOM 0 HB2 ALA B 14 4.336 0.198 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA B 14 3.072 -0.291 -4.216 1.00 0.00 H new ATOM 524 N LEU B 15 2.242 -2.857 -3.877 1.00 0.00 N ATOM 525 CA LEU B 15 1.705 -3.880 -2.939 1.00 0.00 C ATOM 526 C LEU B 15 1.815 -5.238 -3.628 1.00 0.00 C ATOM 527 O LEU B 15 2.328 -6.196 -3.087 1.00 0.00 O ATOM 528 CB LEU B 15 0.236 -3.582 -2.648 1.00 0.00 C ATOM 529 CG LEU B 15 0.139 -2.643 -1.450 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.297 -2.149 -1.310 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.544 -3.397 -0.183 1.00 0.00 C ATOM 0 H LEU B 15 1.600 -2.099 -4.110 1.00 0.00 H new ATOM 0 HA LEU B 15 2.262 -3.873 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.234 -3.127 -3.520 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.301 -4.508 -2.443 1.00 0.00 H new ATOM 0 HG LEU B 15 0.804 -1.792 -1.596 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.369 -1.478 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -1.588 -1.616 -2.215 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.962 -3.000 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.476 -2.729 0.675 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.123 -4.246 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.569 -3.754 -0.284 1.00 0.00 H new ATOM 543 N TYR B 16 1.341 -5.302 -4.840 1.00 0.00 N ATOM 544 CA TYR B 16 1.408 -6.560 -5.624 1.00 0.00 C ATOM 545 C TYR B 16 2.806 -7.163 -5.487 1.00 0.00 C ATOM 546 O TYR B 16 2.992 -8.361 -5.581 1.00 0.00 O ATOM 547 CB TYR B 16 1.131 -6.220 -7.092 1.00 0.00 C ATOM 548 CG TYR B 16 0.101 -7.165 -7.654 1.00 0.00 C ATOM 549 CD1 TYR B 16 0.249 -8.546 -7.484 1.00 0.00 C ATOM 550 CD2 TYR B 16 -1.005 -6.657 -8.349 1.00 0.00 C ATOM 551 CE1 TYR B 16 -0.709 -9.423 -8.011 1.00 0.00 C ATOM 552 CE2 TYR B 16 -1.964 -7.533 -8.874 1.00 0.00 C ATOM 553 CZ TYR B 16 -1.816 -8.916 -8.704 1.00 0.00 C ATOM 554 OH TYR B 16 -2.760 -9.779 -9.222 1.00 0.00 O ATOM 0 H TYR B 16 0.903 -4.520 -5.327 1.00 0.00 H new ATOM 0 HA TYR B 16 0.674 -7.280 -5.261 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.778 -5.192 -7.175 1.00 0.00 H new ATOM 0 HB3 TYR B 16 2.053 -6.288 -7.670 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.101 -8.936 -6.947 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -1.118 -5.591 -8.480 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -0.594 -10.489 -7.883 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -2.817 -7.143 -9.409 1.00 0.00 H new ATOM 0 HH TYR B 16 -3.462 -9.264 -9.671 1.00 0.00 H new ATOM 564 N LEU B 17 3.793 -6.340 -5.262 1.00 0.00 N ATOM 565 CA LEU B 17 5.181 -6.855 -5.116 1.00 0.00 C ATOM 566 C LEU B 17 5.479 -7.098 -3.636 1.00 0.00 C ATOM 567 O LEU B 17 6.069 -8.094 -3.268 1.00 0.00 O ATOM 568 CB LEU B 17 6.168 -5.828 -5.674 1.00 0.00 C ATOM 569 CG LEU B 17 7.271 -6.552 -6.443 1.00 0.00 C ATOM 570 CD1 LEU B 17 7.202 -6.163 -7.922 1.00 0.00 C ATOM 571 CD2 LEU B 17 8.635 -6.157 -5.874 1.00 0.00 C ATOM 0 H LEU B 17 3.696 -5.329 -5.173 1.00 0.00 H new ATOM 0 HA LEU B 17 5.282 -7.790 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.650 -5.129 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.599 -5.243 -4.862 1.00 0.00 H new ATOM 0 HG LEU B 17 7.135 -7.629 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.989 -6.680 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.231 -6.446 -8.328 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.337 -5.086 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU B 17 9.422 -6.674 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.772 -5.080 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.684 -6.435 -4.821 1.00 0.00 H new ATOM 583 N VAL B 18 5.074 -6.195 -2.783 1.00 0.00 N ATOM 584 CA VAL B 18 5.332 -6.381 -1.328 1.00 0.00 C ATOM 585 C VAL B 18 5.001 -7.827 -0.949 1.00 0.00 C ATOM 586 O VAL B 18 5.771 -8.507 -0.301 1.00 0.00 O ATOM 587 CB VAL B 18 4.465 -5.392 -0.525 1.00 0.00 C ATOM 588 CG1 VAL B 18 3.129 -6.030 -0.121 1.00 0.00 C ATOM 589 CG2 VAL B 18 5.222 -4.966 0.735 1.00 0.00 C ATOM 0 H VAL B 18 4.577 -5.339 -3.031 1.00 0.00 H new ATOM 0 HA VAL B 18 6.380 -6.185 -1.099 1.00 0.00 H new ATOM 0 HB VAL B 18 4.257 -4.526 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL B 18 2.538 -5.309 0.444 1.00 0.00 H new ATOM 0 HG12 VAL B 18 2.582 -6.326 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL B 18 3.317 -6.909 0.496 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.612 -4.266 1.307 1.00 0.00 H new ATOM 0 HG22 VAL B 18 5.436 -5.844 1.345 1.00 0.00 H new ATOM 0 HG23 VAL B 18 6.158 -4.485 0.452 1.00 0.00 H new ATOM 599 N CYS B 19 3.856 -8.296 -1.359 1.00 0.00 N ATOM 600 CA CYS B 19 3.457 -9.696 -1.038 1.00 0.00 C ATOM 601 C CYS B 19 4.107 -10.655 -2.037 1.00 0.00 C ATOM 602 O CYS B 19 5.015 -11.391 -1.707 1.00 0.00 O ATOM 603 CB CYS B 19 1.936 -9.821 -1.130 1.00 0.00 C ATOM 604 SG CYS B 19 1.167 -8.763 0.120 1.00 0.00 S ATOM 0 H CYS B 19 3.176 -7.768 -1.905 1.00 0.00 H new ATOM 0 HA CYS B 19 3.785 -9.946 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.596 -9.533 -2.125 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.636 -10.858 -0.979 1.00 0.00 H new HETATM 609 N DAL B 20 3.649 -10.651 -3.259 1.00 0.00 N HETATM 610 CA DAL B 20 4.240 -11.560 -4.281 1.00 0.00 C HETATM 611 CB DAL B 20 3.612 -11.267 -5.645 1.00 0.00 C HETATM 612 C DAL B 20 3.969 -13.018 -3.897 1.00 0.00 C HETATM 613 O DAL B 20 4.507 -13.933 -4.488 1.00 0.00 O HETATM 0 HB3 DAL B 20 2.535 -11.430 -5.592 1.00 0.00 H new HETATM 0 HB2 DAL B 20 3.809 -10.231 -5.922 1.00 0.00 H new HETATM 0 HB1 DAL B 20 4.043 -11.931 -6.394 1.00 0.00 H new HETATM 0 HA DAL B 20 5.316 -11.396 -4.330 1.00 0.00 H new HETATM 0 H DAL B 20 2.939 -9.971 -3.531 1.00 0.00 H new ATOM 619 N GLU B 21 3.141 -13.244 -2.914 1.00 0.00 N ATOM 620 CA GLU B 21 2.843 -14.645 -2.501 1.00 0.00 C ATOM 621 C GLU B 21 1.869 -14.641 -1.320 1.00 0.00 C ATOM 622 O GLU B 21 2.060 -15.336 -0.343 1.00 0.00 O ATOM 623 CB GLU B 21 4.143 -15.339 -2.084 1.00 0.00 C ATOM 624 CG GLU B 21 3.932 -16.854 -2.071 1.00 0.00 C ATOM 625 CD GLU B 21 5.191 -17.541 -1.540 1.00 0.00 C ATOM 626 OE1 GLU B 21 6.175 -17.571 -2.264 1.00 0.00 O ATOM 627 OE2 GLU B 21 5.153 -18.025 -0.422 1.00 0.00 O ATOM 0 H GLU B 21 2.659 -12.521 -2.380 1.00 0.00 H new ATOM 0 HA GLU B 21 2.393 -15.179 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.944 -15.079 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.450 -14.996 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.076 -17.107 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.708 -17.209 -3.077 1.00 0.00 H new ATOM 634 N ARG B 22 0.825 -13.863 -1.403 1.00 0.00 N ATOM 635 CA ARG B 22 -0.161 -13.817 -0.287 1.00 0.00 C ATOM 636 C ARG B 22 -1.537 -13.447 -0.841 1.00 0.00 C ATOM 637 O ARG B 22 -2.530 -14.085 -0.545 1.00 0.00 O ATOM 638 CB ARG B 22 0.272 -12.764 0.736 1.00 0.00 C ATOM 639 CG ARG B 22 1.364 -13.342 1.638 1.00 0.00 C ATOM 640 CD ARG B 22 0.773 -14.448 2.515 1.00 0.00 C ATOM 641 NE ARG B 22 1.167 -14.219 3.933 1.00 0.00 N ATOM 642 CZ ARG B 22 0.929 -15.132 4.834 1.00 0.00 C ATOM 643 NH1 ARG B 22 1.183 -16.386 4.577 1.00 0.00 N ATOM 644 NH2 ARG B 22 0.437 -14.790 5.993 1.00 0.00 N ATOM 0 H ARG B 22 0.612 -13.257 -2.196 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.209 -14.794 0.194 1.00 0.00 H new ATOM 0 HB2 ARG B 22 0.642 -11.876 0.224 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -0.583 -12.453 1.337 1.00 0.00 H new ATOM 0 HG2 ARG B 22 2.178 -13.740 1.032 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.788 -12.556 2.263 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -0.313 -14.457 2.425 1.00 0.00 H new ATOM 0 HD3 ARG B 22 1.129 -15.422 2.180 1.00 0.00 H new ATOM 0 HE ARG B 22 1.624 -13.347 4.200 1.00 0.00 H new ATOM 0 HH11 ARG B 22 1.568 -16.653 3.671 1.00 0.00 H new ATOM 0 HH12 ARG B 22 0.997 -17.099 5.282 1.00 0.00 H new ATOM 0 HH21 ARG B 22 0.239 -13.810 6.194 1.00 0.00 H new ATOM 0 HH22 ARG B 22 0.250 -15.503 6.698 1.00 0.00 H new HETATM 658 N DAL B 23 -1.606 -12.422 -1.643 1.00 0.00 N HETATM 659 CA DAL B 23 -2.918 -12.010 -2.216 1.00 0.00 C HETATM 660 CB DAL B 23 -2.758 -11.719 -3.709 1.00 0.00 C HETATM 661 C DAL B 23 -3.410 -10.750 -1.501 1.00 0.00 C HETATM 662 O DAL B 23 -4.484 -10.727 -0.934 1.00 0.00 O HETATM 0 HB3 DAL B 23 -2.034 -10.916 -3.848 1.00 0.00 H new HETATM 0 HB2 DAL B 23 -2.406 -12.616 -4.219 1.00 0.00 H new HETATM 0 HB1 DAL B 23 -3.719 -11.418 -4.126 1.00 0.00 H new HETATM 0 HA DAL B 23 -3.642 -12.814 -2.081 1.00 0.00 H new HETATM 0 H DAL B 23 -0.781 -12.472 -2.241 1.00 0.00 H new ATOM 668 N PHE B 24 -2.635 -9.700 -1.526 1.00 0.00 N ATOM 669 CA PHE B 24 -3.063 -8.445 -0.850 1.00 0.00 C ATOM 670 C PHE B 24 -4.465 -8.060 -1.334 1.00 0.00 C ATOM 671 O PHE B 24 -5.097 -8.786 -2.077 1.00 0.00 O ATOM 672 CB PHE B 24 -2.072 -7.322 -1.184 1.00 0.00 C ATOM 673 CG PHE B 24 -2.348 -6.802 -2.577 1.00 0.00 C ATOM 674 CD1 PHE B 24 -1.748 -7.412 -3.686 1.00 0.00 C ATOM 675 CD2 PHE B 24 -3.215 -5.718 -2.755 1.00 0.00 C ATOM 676 CE1 PHE B 24 -2.015 -6.933 -4.977 1.00 0.00 C ATOM 677 CE2 PHE B 24 -3.484 -5.241 -4.045 1.00 0.00 C ATOM 678 CZ PHE B 24 -2.884 -5.848 -5.155 1.00 0.00 C ATOM 0 H PHE B 24 -1.725 -9.658 -1.985 1.00 0.00 H new ATOM 0 HA PHE B 24 -3.083 -8.598 0.229 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.164 -6.514 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.049 -7.694 -1.119 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.081 -8.250 -3.547 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.677 -5.249 -1.899 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.551 -7.400 -5.833 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -4.154 -4.405 -4.183 1.00 0.00 H new ATOM 0 HZ PHE B 24 -3.091 -5.480 -6.149 1.00 0.00 H new ATOM 688 N PHE B 25 -4.953 -6.920 -0.928 1.00 0.00 N ATOM 689 CA PHE B 25 -6.306 -6.490 -1.372 1.00 0.00 C ATOM 690 C PHE B 25 -6.401 -4.964 -1.295 1.00 0.00 C ATOM 691 O PHE B 25 -6.465 -4.390 -0.226 1.00 0.00 O ATOM 692 CB PHE B 25 -7.362 -7.112 -0.460 1.00 0.00 C ATOM 693 CG PHE B 25 -7.157 -6.625 0.954 1.00 0.00 C ATOM 694 CD1 PHE B 25 -6.019 -7.013 1.672 1.00 0.00 C ATOM 695 CD2 PHE B 25 -8.107 -5.784 1.549 1.00 0.00 C ATOM 696 CE1 PHE B 25 -5.830 -6.561 2.984 1.00 0.00 C ATOM 697 CE2 PHE B 25 -7.919 -5.331 2.861 1.00 0.00 C ATOM 698 CZ PHE B 25 -6.780 -5.719 3.578 1.00 0.00 C ATOM 0 H PHE B 25 -4.472 -6.269 -0.308 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.476 -6.816 -2.398 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -8.360 -6.845 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -7.293 -8.199 -0.495 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -5.287 -7.661 1.214 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.985 -5.485 0.995 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -4.953 -6.861 3.538 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -8.652 -4.683 3.319 1.00 0.00 H new ATOM 0 HZ PHE B 25 -6.634 -5.369 4.589 1.00 0.00 H new ATOM 708 N TYR B 26 -6.411 -4.302 -2.421 1.00 0.00 N ATOM 709 CA TYR B 26 -6.501 -2.815 -2.406 1.00 0.00 C ATOM 710 C TYR B 26 -7.870 -2.375 -2.923 1.00 0.00 C ATOM 711 O TYR B 26 -8.335 -2.832 -3.948 1.00 0.00 O ATOM 712 CB TYR B 26 -5.410 -2.227 -3.292 1.00 0.00 C ATOM 713 CG TYR B 26 -5.076 -0.836 -2.811 1.00 0.00 C ATOM 714 CD1 TYR B 26 -4.090 -0.653 -1.832 1.00 0.00 C ATOM 715 CD2 TYR B 26 -5.756 0.270 -3.336 1.00 0.00 C ATOM 716 CE1 TYR B 26 -3.786 0.638 -1.379 1.00 0.00 C ATOM 717 CE2 TYR B 26 -5.450 1.559 -2.884 1.00 0.00 C ATOM 718 CZ TYR B 26 -4.466 1.744 -1.904 1.00 0.00 C ATOM 719 OH TYR B 26 -4.164 3.014 -1.459 1.00 0.00 O ATOM 0 H TYR B 26 -6.361 -4.726 -3.347 1.00 0.00 H new ATOM 0 HA TYR B 26 -6.370 -2.459 -1.384 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.522 -2.858 -3.263 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.745 -2.196 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -3.565 -1.506 -1.427 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.517 0.128 -4.090 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.027 0.780 -0.624 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -5.973 2.412 -3.291 1.00 0.00 H new ATOM 0 HH TYR B 26 -3.351 3.332 -1.905 1.00 0.00 H new ATOM 729 N THR B 27 -8.520 -1.488 -2.220 1.00 0.00 N ATOM 730 CA THR B 27 -9.857 -1.016 -2.666 1.00 0.00 C ATOM 731 C THR B 27 -9.819 0.500 -2.866 1.00 0.00 C ATOM 732 O THR B 27 -8.848 1.154 -2.539 1.00 0.00 O ATOM 733 CB THR B 27 -10.892 -1.367 -1.599 1.00 0.00 C ATOM 734 OG1 THR B 27 -10.225 -1.762 -0.409 1.00 0.00 O ATOM 735 CG2 THR B 27 -11.772 -2.515 -2.096 1.00 0.00 C ATOM 0 H THR B 27 -8.180 -1.070 -1.354 1.00 0.00 H new ATOM 0 HA THR B 27 -10.124 -1.497 -3.607 1.00 0.00 H new ATOM 0 HB THR B 27 -11.515 -0.496 -1.397 1.00 0.00 H new ATOM 0 HG1 THR B 27 -10.887 -1.986 0.278 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.510 -2.764 -1.333 1.00 0.00 H new ATOM 0 HG22 THR B 27 -12.283 -2.212 -3.010 1.00 0.00 H new ATOM 0 HG23 THR B 27 -11.151 -3.388 -2.299 1.00 0.00 H new ATOM 743 N LYS B 28 -10.867 1.066 -3.399 1.00 0.00 N ATOM 744 CA LYS B 28 -10.885 2.540 -3.619 1.00 0.00 C ATOM 745 C LYS B 28 -12.331 3.048 -3.592 1.00 0.00 C ATOM 746 O LYS B 28 -12.827 3.548 -4.581 1.00 0.00 O ATOM 747 CB LYS B 28 -10.257 2.859 -4.978 1.00 0.00 C ATOM 748 CG LYS B 28 -10.191 4.375 -5.170 1.00 0.00 C ATOM 749 CD LYS B 28 -11.027 4.770 -6.389 1.00 0.00 C ATOM 750 CE LYS B 28 -10.116 5.377 -7.457 1.00 0.00 C ATOM 751 NZ LYS B 28 -9.541 6.654 -6.948 1.00 0.00 N ATOM 0 H LYS B 28 -11.710 0.572 -3.691 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.316 3.031 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -9.256 2.431 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -10.845 2.406 -5.777 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.564 4.882 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -9.157 4.691 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -11.542 3.896 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.795 5.488 -6.100 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.317 4.680 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.680 5.558 -8.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.368 7.299 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.209 7.096 -6.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.644 6.460 -6.458 1.00 0.00 H new ATOM 765 N PRO B 29 -12.961 2.902 -2.454 1.00 0.00 N ATOM 766 CA PRO B 29 -14.355 3.336 -2.258 1.00 0.00 C ATOM 767 C PRO B 29 -14.416 4.850 -2.047 1.00 0.00 C ATOM 768 O PRO B 29 -15.441 5.473 -2.240 1.00 0.00 O ATOM 769 CB PRO B 29 -14.788 2.590 -0.993 1.00 0.00 C ATOM 770 CG PRO B 29 -13.490 2.229 -0.233 1.00 0.00 C ATOM 771 CD PRO B 29 -12.344 2.289 -1.262 1.00 0.00 C ATOM 0 HA PRO B 29 -14.997 3.122 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -15.438 3.213 -0.378 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -15.353 1.692 -1.245 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -13.313 2.928 0.585 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -13.563 1.235 0.208 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.509 2.885 -0.894 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -11.953 1.295 -1.482 1.00 0.00 H new ATOM 779 N THR B 30 -13.322 5.440 -1.658 1.00 0.00 N ATOM 780 CA THR B 30 -13.297 6.916 -1.434 1.00 0.00 C ATOM 781 C THR B 30 -14.589 7.360 -0.744 1.00 0.00 C ATOM 782 O THR B 30 -14.950 8.516 -0.892 1.00 0.00 O ATOM 783 CB THR B 30 -13.160 7.631 -2.779 1.00 0.00 C ATOM 784 OG1 THR B 30 -13.008 9.026 -2.556 1.00 0.00 O ATOM 785 CG2 THR B 30 -14.411 7.380 -3.619 1.00 0.00 C ATOM 786 OXT THR B 30 -15.196 6.536 -0.079 1.00 0.00 O ATOM 0 H THR B 30 -12.438 4.963 -1.484 1.00 0.00 H new ATOM 0 HA THR B 30 -12.449 7.170 -0.798 1.00 0.00 H new ATOM 0 HB THR B 30 -12.287 7.250 -3.309 1.00 0.00 H new ATOM 0 HG1 THR B 30 -13.599 9.307 -1.826 1.00 0.00 H new ATOM 0 HG21 THR B 30 -14.314 7.889 -4.578 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.528 6.309 -3.787 1.00 0.00 H new ATOM 0 HG23 THR B 30 -15.286 7.762 -3.092 1.00 0.00 H new TER 794 THR B 30