USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 129 LYS NZ :NH3+ 176:sc= 0.687 (180deg=0) USER MOD Set 1.2: B 130 THR OG1 : rot 180:sc= 0.616 USER MOD Set 2.1: A 12 SER OG : rot 180:sc=0.000919 USER MOD Set 2.2: A 15 GLN : amide:sc= -0.244 K(o=-0.24,f=-0.96) USER MOD Set 2.3: A 19 TYR OH : rot 180:sc=0.000247 USER MOD Single : A 1 GLY N :NH3+ -157:sc= 1.66 (180deg=1.07) USER MOD Single : A 5 GLN : amide:sc= 1.02 K(o=1,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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 103 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : B 104 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 105 HIS : no HE2:sc= 0.708 K(o=0.71,f=-2.3!) USER MOD Single : B 109 SER OG : rot 180:sc= 0 USER MOD Single : B 110 HIS : no HD1:sc= -0.0774 X(o=-0.077,f=0) USER MOD Single : B 116 TYR OH : rot 145:sc= 0.632 USER MOD Single : B 126 TYR OH : rot 180:sc= 0 USER MOD Single : B 127 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.837 25.288 9.079 1.00 0.00 N ATOM 2 CA GLY A 1 13.626 23.946 9.659 1.00 0.00 C ATOM 3 C GLY A 1 14.791 23.011 9.399 1.00 0.00 C ATOM 4 O GLY A 1 15.730 22.956 10.190 1.00 0.00 O ATOM 0 H1 GLY A 1 13.248 25.981 9.583 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.838 25.553 9.172 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.574 25.277 8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.472 24.039 10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.717 23.513 9.243 1.00 0.00 H new ATOM 10 N ILE A 2 14.726 22.241 8.310 1.00 0.00 N ATOM 11 CA ILE A 2 15.626 21.130 7.966 1.00 0.00 C ATOM 12 C ILE A 2 16.617 21.512 6.858 1.00 0.00 C ATOM 13 O ILE A 2 17.774 21.096 6.907 1.00 0.00 O ATOM 14 CB ILE A 2 14.746 19.899 7.617 1.00 0.00 C ATOM 15 CG1 ILE A 2 14.484 19.118 8.922 1.00 0.00 C ATOM 16 CG2 ILE A 2 15.319 19.016 6.496 1.00 0.00 C ATOM 17 CD1 ILE A 2 13.414 18.023 8.814 1.00 0.00 C ATOM 0 H ILE A 2 14.004 22.382 7.603 1.00 0.00 H new ATOM 0 HA ILE A 2 16.261 20.878 8.815 1.00 0.00 H new ATOM 0 HB ILE A 2 13.803 20.251 7.199 1.00 0.00 H new ATOM 0 HG12 ILE A 2 15.418 18.662 9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 2 14.185 19.824 9.697 1.00 0.00 H new ATOM 0 HG21 ILE A 2 14.646 18.179 6.312 1.00 0.00 H new ATOM 0 HG22 ILE A 2 15.422 19.606 5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.296 18.637 6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 2 13.300 17.530 9.779 1.00 0.00 H new ATOM 0 HD12 ILE A 2 12.464 18.470 8.520 1.00 0.00 H new ATOM 0 HD13 ILE A 2 13.717 17.291 8.066 1.00 0.00 H new ATOM 29 N VAL A 3 16.211 22.340 5.886 1.00 0.00 N ATOM 30 CA VAL A 3 17.082 22.712 4.752 1.00 0.00 C ATOM 31 C VAL A 3 18.304 23.505 5.233 1.00 0.00 C ATOM 32 O VAL A 3 19.430 23.215 4.828 1.00 0.00 O ATOM 33 CB VAL A 3 16.301 23.473 3.660 1.00 0.00 C ATOM 34 CG1 VAL A 3 17.202 23.909 2.494 1.00 0.00 C ATOM 35 CG2 VAL A 3 15.193 22.603 3.061 1.00 0.00 C ATOM 0 H VAL A 3 15.285 22.767 5.858 1.00 0.00 H new ATOM 0 HA VAL A 3 17.446 21.790 4.298 1.00 0.00 H new ATOM 0 HB VAL A 3 15.886 24.349 4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.606 24.440 1.752 1.00 0.00 H new ATOM 0 HG12 VAL A 3 17.987 24.567 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.653 23.030 2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 3 14.661 23.167 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 3 15.632 21.711 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 3 14.496 22.311 3.846 1.00 0.00 H new ATOM 45 N GLU A 4 18.116 24.446 6.163 1.00 0.00 N ATOM 46 CA GLU A 4 19.211 25.254 6.730 1.00 0.00 C ATOM 47 C GLU A 4 20.297 24.402 7.413 1.00 0.00 C ATOM 48 O GLU A 4 21.484 24.707 7.295 1.00 0.00 O ATOM 49 CB GLU A 4 18.647 26.321 7.687 1.00 0.00 C ATOM 50 CG GLU A 4 18.057 25.754 8.986 1.00 0.00 C ATOM 51 CD GLU A 4 17.316 26.841 9.780 1.00 0.00 C ATOM 52 OE1 GLU A 4 17.970 27.644 10.491 1.00 0.00 O ATOM 53 OE2 GLU A 4 16.065 26.880 9.706 1.00 0.00 O ATOM 0 H GLU A 4 17.199 24.673 6.548 1.00 0.00 H new ATOM 0 HA GLU A 4 19.705 25.754 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 4 19.442 27.023 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 4 17.874 26.887 7.167 1.00 0.00 H new ATOM 0 HG2 GLU A 4 17.371 24.940 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 4 18.855 25.333 9.598 1.00 0.00 H new ATOM 60 N GLN A 5 19.910 23.283 8.040 1.00 0.00 N ATOM 61 CA GLN A 5 20.817 22.389 8.771 1.00 0.00 C ATOM 62 C GLN A 5 21.820 21.645 7.865 1.00 0.00 C ATOM 63 O GLN A 5 22.784 21.073 8.376 1.00 0.00 O ATOM 64 CB GLN A 5 20.000 21.400 9.619 1.00 0.00 C ATOM 65 CG GLN A 5 19.242 22.069 10.773 1.00 0.00 C ATOM 66 CD GLN A 5 18.532 21.042 11.653 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.144 20.211 12.316 1.00 0.00 O ATOM 68 NE2 GLN A 5 17.217 21.045 11.703 1.00 0.00 N ATOM 0 H GLN A 5 18.940 22.968 8.053 1.00 0.00 H new ATOM 0 HA GLN A 5 21.425 23.018 9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.287 20.884 8.976 1.00 0.00 H new ATOM 0 HB3 GLN A 5 20.669 20.642 10.025 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.939 22.648 11.379 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.511 22.770 10.370 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.688 21.727 11.160 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.727 20.365 12.285 1.00 0.00 H new ATOM 77 N CYS A 6 21.609 21.656 6.539 1.00 0.00 N ATOM 78 CA CYS A 6 22.592 21.221 5.539 1.00 0.00 C ATOM 79 C CYS A 6 23.033 22.340 4.570 1.00 0.00 C ATOM 80 O CYS A 6 24.074 22.224 3.924 1.00 0.00 O ATOM 81 CB CYS A 6 22.074 20.003 4.777 1.00 0.00 C ATOM 82 SG CYS A 6 23.432 18.956 4.187 1.00 0.00 S ATOM 0 H CYS A 6 20.732 21.974 6.126 1.00 0.00 H new ATOM 0 HA CYS A 6 23.490 20.944 6.092 1.00 0.00 H new ATOM 0 HB2 CYS A 6 21.419 19.420 5.424 1.00 0.00 H new ATOM 0 HB3 CYS A 6 21.473 20.332 3.929 1.00 0.00 H new ATOM 87 N CYS A 7 22.267 23.427 4.452 1.00 0.00 N ATOM 88 CA CYS A 7 22.534 24.495 3.488 1.00 0.00 C ATOM 89 C CYS A 7 23.482 25.574 4.038 1.00 0.00 C ATOM 90 O CYS A 7 24.503 25.863 3.410 1.00 0.00 O ATOM 91 CB CYS A 7 21.198 25.052 2.984 1.00 0.00 C ATOM 92 SG CYS A 7 21.321 26.298 1.673 1.00 0.00 S ATOM 0 H CYS A 7 21.440 23.591 5.026 1.00 0.00 H new ATOM 0 HA CYS A 7 23.075 24.081 2.638 1.00 0.00 H new ATOM 0 HB2 CYS A 7 20.593 24.223 2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 7 20.664 25.488 3.828 1.00 0.00 H new ATOM 97 N THR A 8 23.209 26.143 5.221 1.00 0.00 N ATOM 98 CA THR A 8 24.052 27.196 5.834 1.00 0.00 C ATOM 99 C THR A 8 25.178 26.633 6.717 1.00 0.00 C ATOM 100 O THR A 8 26.181 27.315 6.942 1.00 0.00 O ATOM 101 CB THR A 8 23.215 28.228 6.613 1.00 0.00 C ATOM 102 OG1 THR A 8 22.463 27.611 7.634 1.00 0.00 O ATOM 103 CG2 THR A 8 22.233 28.970 5.706 1.00 0.00 C ATOM 0 H THR A 8 22.398 25.890 5.785 1.00 0.00 H new ATOM 0 HA THR A 8 24.529 27.707 4.998 1.00 0.00 H new ATOM 0 HB THR A 8 23.931 28.932 7.037 1.00 0.00 H new ATOM 0 HG1 THR A 8 21.943 28.290 8.113 1.00 0.00 H new ATOM 0 HG21 THR A 8 21.663 29.688 6.296 1.00 0.00 H new ATOM 0 HG22 THR A 8 22.784 29.497 4.927 1.00 0.00 H new ATOM 0 HG23 THR A 8 21.550 28.255 5.247 1.00 0.00 H new ATOM 111 N SER A 9 25.058 25.370 7.134 1.00 0.00 N ATOM 112 CA SER A 9 26.087 24.559 7.802 1.00 0.00 C ATOM 113 C SER A 9 26.109 23.147 7.201 1.00 0.00 C ATOM 114 O SER A 9 25.079 22.670 6.729 1.00 0.00 O ATOM 115 CB SER A 9 25.815 24.454 9.309 1.00 0.00 C ATOM 116 OG SER A 9 25.936 25.716 9.943 1.00 0.00 O ATOM 0 H SER A 9 24.188 24.852 7.008 1.00 0.00 H new ATOM 0 HA SER A 9 27.050 25.047 7.650 1.00 0.00 H new ATOM 0 HB2 SER A 9 24.813 24.057 9.473 1.00 0.00 H new ATOM 0 HB3 SER A 9 26.515 23.750 9.759 1.00 0.00 H new ATOM 0 HG SER A 9 25.756 25.619 10.901 1.00 0.00 H new ATOM 122 N ILE A 10 27.259 22.464 7.223 1.00 0.00 N ATOM 123 CA ILE A 10 27.408 21.101 6.674 1.00 0.00 C ATOM 124 C ILE A 10 26.546 20.053 7.412 1.00 0.00 C ATOM 125 O ILE A 10 26.325 20.173 8.621 1.00 0.00 O ATOM 126 CB ILE A 10 28.895 20.665 6.658 1.00 0.00 C ATOM 127 CG1 ILE A 10 29.535 20.653 8.069 1.00 0.00 C ATOM 128 CG2 ILE A 10 29.689 21.526 5.666 1.00 0.00 C ATOM 129 CD1 ILE A 10 31.042 20.372 8.076 1.00 0.00 C ATOM 0 H ILE A 10 28.120 22.838 7.623 1.00 0.00 H new ATOM 0 HA ILE A 10 27.041 21.146 5.649 1.00 0.00 H new ATOM 0 HB ILE A 10 28.931 19.630 6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 10 29.355 21.617 8.545 1.00 0.00 H new ATOM 0 HG13 ILE A 10 29.034 19.899 8.676 1.00 0.00 H new ATOM 0 HG21 ILE A 10 30.732 21.210 5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 10 29.272 21.407 4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 10 29.628 22.573 5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 10 31.409 20.382 9.102 1.00 0.00 H new ATOM 0 HD12 ILE A 10 31.232 19.395 7.632 1.00 0.00 H new ATOM 0 HD13 ILE A 10 31.558 21.139 7.499 1.00 0.00 H new ATOM 141 N CYS A 11 26.116 18.998 6.702 1.00 0.00 N ATOM 142 CA CYS A 11 25.418 17.841 7.288 1.00 0.00 C ATOM 143 C CYS A 11 26.003 16.471 6.895 1.00 0.00 C ATOM 144 O CYS A 11 26.774 16.352 5.935 1.00 0.00 O ATOM 145 CB CYS A 11 23.909 17.910 7.003 1.00 0.00 C ATOM 146 SG CYS A 11 23.323 17.330 5.390 1.00 0.00 S ATOM 0 H CYS A 11 26.244 18.923 5.693 1.00 0.00 H new ATOM 0 HA CYS A 11 25.582 17.916 8.363 1.00 0.00 H new ATOM 0 HB2 CYS A 11 23.397 17.332 7.772 1.00 0.00 H new ATOM 0 HB3 CYS A 11 23.594 18.947 7.120 1.00 0.00 H new ATOM 151 N SER A 12 25.632 15.444 7.663 1.00 0.00 N ATOM 152 CA SER A 12 26.075 14.046 7.533 1.00 0.00 C ATOM 153 C SER A 12 25.019 13.114 6.911 1.00 0.00 C ATOM 154 O SER A 12 23.848 13.469 6.784 1.00 0.00 O ATOM 155 CB SER A 12 26.459 13.532 8.925 1.00 0.00 C ATOM 156 OG SER A 12 25.296 13.350 9.718 1.00 0.00 O ATOM 0 H SER A 12 24.978 15.568 8.436 1.00 0.00 H new ATOM 0 HA SER A 12 26.924 14.036 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 12 26.999 12.589 8.836 1.00 0.00 H new ATOM 0 HB3 SER A 12 27.131 14.240 9.409 1.00 0.00 H new ATOM 0 HG SER A 12 25.553 13.020 10.604 1.00 0.00 H new ATOM 162 N LEU A 13 25.408 11.869 6.602 1.00 0.00 N ATOM 163 CA LEU A 13 24.467 10.802 6.215 1.00 0.00 C ATOM 164 C LEU A 13 23.415 10.549 7.310 1.00 0.00 C ATOM 165 O LEU A 13 22.241 10.361 7.003 1.00 0.00 O ATOM 166 CB LEU A 13 25.232 9.496 5.917 1.00 0.00 C ATOM 167 CG LEU A 13 26.314 9.589 4.824 1.00 0.00 C ATOM 168 CD1 LEU A 13 26.956 8.220 4.612 1.00 0.00 C ATOM 169 CD2 LEU A 13 25.755 10.076 3.488 1.00 0.00 C ATOM 0 H LEU A 13 26.383 11.571 6.613 1.00 0.00 H new ATOM 0 HA LEU A 13 23.948 11.133 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 13 25.702 9.153 6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 13 24.511 8.733 5.624 1.00 0.00 H new ATOM 0 HG LEU A 13 27.050 10.315 5.169 1.00 0.00 H new ATOM 0 HD11 LEU A 13 27.720 8.292 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 13 27.413 7.884 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 13 26.194 7.505 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 13 26.559 10.124 2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 13 24.987 9.385 3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 13 25.321 11.068 3.615 1.00 0.00 H new ATOM 181 N TYR A 14 23.800 10.620 8.588 1.00 0.00 N ATOM 182 CA TYR A 14 22.887 10.432 9.725 1.00 0.00 C ATOM 183 C TYR A 14 21.835 11.554 9.835 1.00 0.00 C ATOM 184 O TYR A 14 20.733 11.327 10.334 1.00 0.00 O ATOM 185 CB TYR A 14 23.709 10.330 11.020 1.00 0.00 C ATOM 186 CG TYR A 14 24.865 9.343 10.956 1.00 0.00 C ATOM 187 CD1 TYR A 14 24.606 7.961 10.872 1.00 0.00 C ATOM 188 CD2 TYR A 14 26.195 9.809 10.941 1.00 0.00 C ATOM 189 CE1 TYR A 14 25.672 7.044 10.784 1.00 0.00 C ATOM 190 CE2 TYR A 14 27.264 8.896 10.864 1.00 0.00 C ATOM 191 CZ TYR A 14 27.003 7.510 10.782 1.00 0.00 C ATOM 192 OH TYR A 14 28.039 6.629 10.691 1.00 0.00 O ATOM 0 H TYR A 14 24.762 10.811 8.867 1.00 0.00 H new ATOM 0 HA TYR A 14 22.333 9.508 9.561 1.00 0.00 H new ATOM 0 HB2 TYR A 14 24.103 11.317 11.264 1.00 0.00 H new ATOM 0 HB3 TYR A 14 23.045 10.041 11.835 1.00 0.00 H new ATOM 0 HD1 TYR A 14 23.587 7.603 10.875 1.00 0.00 H new ATOM 0 HD2 TYR A 14 26.395 10.869 10.989 1.00 0.00 H new ATOM 0 HE1 TYR A 14 25.470 5.985 10.718 1.00 0.00 H new ATOM 0 HE2 TYR A 14 28.283 9.255 10.868 1.00 0.00 H new ATOM 0 HH TYR A 14 28.887 7.119 10.702 1.00 0.00 H new ATOM 202 N GLN A 15 22.146 12.749 9.323 1.00 0.00 N ATOM 203 CA GLN A 15 21.198 13.864 9.228 1.00 0.00 C ATOM 204 C GLN A 15 20.281 13.699 8.008 1.00 0.00 C ATOM 205 O GLN A 15 19.070 13.873 8.123 1.00 0.00 O ATOM 206 CB GLN A 15 21.956 15.195 9.180 1.00 0.00 C ATOM 207 CG GLN A 15 22.540 15.585 10.546 1.00 0.00 C ATOM 208 CD GLN A 15 23.405 16.836 10.445 1.00 0.00 C ATOM 209 OE1 GLN A 15 24.624 16.774 10.426 1.00 0.00 O ATOM 210 NE2 GLN A 15 22.820 18.010 10.316 1.00 0.00 N ATOM 0 H GLN A 15 23.072 12.972 8.959 1.00 0.00 H new ATOM 0 HA GLN A 15 20.565 13.863 10.115 1.00 0.00 H new ATOM 0 HB2 GLN A 15 22.762 15.125 8.450 1.00 0.00 H new ATOM 0 HB3 GLN A 15 21.283 15.981 8.838 1.00 0.00 H new ATOM 0 HG2 GLN A 15 21.729 15.758 11.254 1.00 0.00 H new ATOM 0 HG3 GLN A 15 23.135 14.760 10.938 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.802 18.077 10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 15 23.385 18.852 10.202 1.00 0.00 H new ATOM 219 N LEU A 16 20.829 13.264 6.869 1.00 0.00 N ATOM 220 CA LEU A 16 20.060 12.948 5.660 1.00 0.00 C ATOM 221 C LEU A 16 19.068 11.782 5.897 1.00 0.00 C ATOM 222 O LEU A 16 17.971 11.800 5.339 1.00 0.00 O ATOM 223 CB LEU A 16 21.041 12.682 4.502 1.00 0.00 C ATOM 224 CG LEU A 16 21.832 13.927 4.040 1.00 0.00 C ATOM 225 CD1 LEU A 16 22.969 13.503 3.110 1.00 0.00 C ATOM 226 CD2 LEU A 16 20.955 14.923 3.281 1.00 0.00 C ATOM 0 H LEU A 16 21.833 13.119 6.759 1.00 0.00 H new ATOM 0 HA LEU A 16 19.436 13.800 5.390 1.00 0.00 H new ATOM 0 HB2 LEU A 16 21.747 11.911 4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.484 12.284 3.654 1.00 0.00 H new ATOM 0 HG LEU A 16 22.214 14.409 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 16 23.523 14.384 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 16 23.640 12.827 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 16 22.556 12.995 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 16 21.556 15.780 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 16 20.538 14.441 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.144 15.259 3.927 1.00 0.00 H new ATOM 238 N GLU A 17 19.382 10.819 6.773 1.00 0.00 N ATOM 239 CA GLU A 17 18.419 9.815 7.253 1.00 0.00 C ATOM 240 C GLU A 17 17.306 10.461 8.097 1.00 0.00 C ATOM 241 O GLU A 17 16.122 10.203 7.870 1.00 0.00 O ATOM 242 CB GLU A 17 19.118 8.740 8.109 1.00 0.00 C ATOM 243 CG GLU A 17 19.935 7.722 7.310 1.00 0.00 C ATOM 244 CD GLU A 17 20.427 6.581 8.222 1.00 0.00 C ATOM 245 OE1 GLU A 17 21.476 6.740 8.894 1.00 0.00 O ATOM 246 OE2 GLU A 17 19.765 5.514 8.276 1.00 0.00 O ATOM 0 H GLU A 17 20.315 10.712 7.171 1.00 0.00 H new ATOM 0 HA GLU A 17 17.981 9.354 6.368 1.00 0.00 H new ATOM 0 HB2 GLU A 17 19.776 9.234 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 17 18.363 8.207 8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 17 19.327 7.313 6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 17 20.788 8.217 6.846 1.00 0.00 H new ATOM 253 N ASN A 18 17.664 11.345 9.036 1.00 0.00 N ATOM 254 CA ASN A 18 16.705 12.007 9.929 1.00 0.00 C ATOM 255 C ASN A 18 15.712 12.912 9.172 1.00 0.00 C ATOM 256 O ASN A 18 14.526 12.931 9.502 1.00 0.00 O ATOM 257 CB ASN A 18 17.493 12.780 10.999 1.00 0.00 C ATOM 258 CG ASN A 18 16.579 13.421 12.031 1.00 0.00 C ATOM 259 OD1 ASN A 18 15.884 12.752 12.782 1.00 0.00 O ATOM 260 ND2 ASN A 18 16.547 14.734 12.099 1.00 0.00 N ATOM 0 H ASN A 18 18.632 11.623 9.199 1.00 0.00 H new ATOM 0 HA ASN A 18 16.085 11.249 10.408 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.185 12.102 11.499 1.00 0.00 H new ATOM 0 HB3 ASN A 18 18.094 13.552 10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.942 15.195 12.779 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.127 15.291 11.472 1.00 0.00 H new ATOM 267 N TYR A 19 16.155 13.602 8.114 1.00 0.00 N ATOM 268 CA TYR A 19 15.289 14.441 7.276 1.00 0.00 C ATOM 269 C TYR A 19 14.227 13.655 6.484 1.00 0.00 C ATOM 270 O TYR A 19 13.246 14.247 6.028 1.00 0.00 O ATOM 271 CB TYR A 19 16.150 15.267 6.313 1.00 0.00 C ATOM 272 CG TYR A 19 17.249 16.122 6.916 1.00 0.00 C ATOM 273 CD1 TYR A 19 17.161 16.634 8.229 1.00 0.00 C ATOM 274 CD2 TYR A 19 18.369 16.431 6.122 1.00 0.00 C ATOM 275 CE1 TYR A 19 18.192 17.447 8.741 1.00 0.00 C ATOM 276 CE2 TYR A 19 19.421 17.204 6.645 1.00 0.00 C ATOM 277 CZ TYR A 19 19.336 17.712 7.957 1.00 0.00 C ATOM 278 OH TYR A 19 20.355 18.452 8.470 1.00 0.00 O ATOM 0 H TYR A 19 17.130 13.594 7.813 1.00 0.00 H new ATOM 0 HA TYR A 19 14.738 15.089 7.958 1.00 0.00 H new ATOM 0 HB2 TYR A 19 16.609 14.582 5.600 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.488 15.921 5.746 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.302 16.402 8.842 1.00 0.00 H new ATOM 0 HD2 TYR A 19 18.421 16.072 5.105 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.107 17.867 9.732 1.00 0.00 H new ATOM 0 HE2 TYR A 19 20.293 17.408 6.042 1.00 0.00 H new ATOM 0 HH TYR A 19 21.065 18.539 7.800 1.00 0.00 H new ATOM 288 N CYS A 20 14.388 12.335 6.337 1.00 0.00 N ATOM 289 CA CYS A 20 13.374 11.440 5.769 1.00 0.00 C ATOM 290 C CYS A 20 12.303 11.028 6.800 1.00 0.00 C ATOM 291 O CYS A 20 11.156 10.759 6.438 1.00 0.00 O ATOM 292 CB CYS A 20 14.105 10.214 5.210 1.00 0.00 C ATOM 293 SG CYS A 20 13.110 9.163 4.119 1.00 0.00 S ATOM 0 H CYS A 20 15.242 11.851 6.614 1.00 0.00 H new ATOM 0 HA CYS A 20 12.833 11.962 4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 20 14.984 10.552 4.662 1.00 0.00 H new ATOM 0 HB3 CYS A 20 14.462 9.611 6.044 1.00 0.00 H new ATOM 298 N ASN A 21 12.665 10.996 8.088 1.00 0.00 N ATOM 299 CA ASN A 21 11.790 10.608 9.201 1.00 0.00 C ATOM 300 C ASN A 21 11.000 11.793 9.803 1.00 0.00 C ATOM 301 O ASN A 21 9.863 11.612 10.250 1.00 0.00 O ATOM 302 CB ASN A 21 12.671 9.908 10.250 1.00 0.00 C ATOM 303 CG ASN A 21 11.870 9.406 11.444 1.00 0.00 C ATOM 304 OD1 ASN A 21 11.142 8.426 11.364 1.00 0.00 O ATOM 305 ND2 ASN A 21 11.967 10.058 12.582 1.00 0.00 N ATOM 0 H ASN A 21 13.605 11.247 8.394 1.00 0.00 H new ATOM 0 HA ASN A 21 11.018 9.932 8.834 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.187 9.069 9.784 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.438 10.601 10.597 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.436 9.746 13.395 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.573 10.875 12.651 1.00 0.00 H new ATOM 312 N GLY A 22 11.596 12.994 9.814 1.00 0.00 N ATOM 313 CA GLY A 22 11.003 14.238 10.342 1.00 0.00 C ATOM 314 C GLY A 22 9.758 14.714 9.590 1.00 0.00 C ATOM 315 O GLY A 22 9.780 14.719 8.340 1.00 0.00 O ATOM 316 OXT GLY A 22 8.790 15.136 10.256 1.00 0.00 O ATOM 0 H GLY A 22 12.536 13.134 9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.744 14.086 11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.755 15.026 10.311 1.00 0.00 H new TER 320 GLY A 22 ATOM 321 N PHE B 101 33.633 9.079 3.533 1.00 0.00 N ATOM 322 CA PHE B 101 32.619 10.158 3.615 1.00 0.00 C ATOM 323 C PHE B 101 33.106 11.310 4.505 1.00 0.00 C ATOM 324 O PHE B 101 33.842 11.093 5.471 1.00 0.00 O ATOM 325 CB PHE B 101 31.259 9.613 4.099 1.00 0.00 C ATOM 326 CG PHE B 101 30.189 10.681 4.271 1.00 0.00 C ATOM 327 CD1 PHE B 101 29.515 11.199 3.146 1.00 0.00 C ATOM 328 CD2 PHE B 101 29.920 11.215 5.545 1.00 0.00 C ATOM 329 CE1 PHE B 101 28.586 12.247 3.295 1.00 0.00 C ATOM 330 CE2 PHE B 101 28.997 12.267 5.693 1.00 0.00 C ATOM 331 CZ PHE B 101 28.331 12.785 4.569 1.00 0.00 C ATOM 0 HA PHE B 101 32.476 10.554 2.610 1.00 0.00 H new ATOM 0 HB2 PHE B 101 30.903 8.869 3.387 1.00 0.00 H new ATOM 0 HB3 PHE B 101 31.402 9.101 5.050 1.00 0.00 H new ATOM 0 HD1 PHE B 101 29.712 10.790 2.166 1.00 0.00 H new ATOM 0 HD2 PHE B 101 30.424 10.816 6.413 1.00 0.00 H new ATOM 0 HE1 PHE B 101 28.069 12.638 2.431 1.00 0.00 H new ATOM 0 HE2 PHE B 101 28.800 12.677 6.672 1.00 0.00 H new ATOM 0 HZ PHE B 101 27.625 13.594 4.683 1.00 0.00 H new ATOM 343 N VAL B 102 32.674 12.542 4.201 1.00 0.00 N ATOM 344 CA VAL B 102 32.847 13.748 5.032 1.00 0.00 C ATOM 345 C VAL B 102 31.612 14.653 4.894 1.00 0.00 C ATOM 346 O VAL B 102 30.983 14.682 3.832 1.00 0.00 O ATOM 347 CB VAL B 102 34.163 14.480 4.682 1.00 0.00 C ATOM 348 CG1 VAL B 102 34.192 15.071 3.267 1.00 0.00 C ATOM 349 CG2 VAL B 102 34.491 15.593 5.681 1.00 0.00 C ATOM 0 H VAL B 102 32.173 12.736 3.334 1.00 0.00 H new ATOM 0 HA VAL B 102 32.930 13.457 6.079 1.00 0.00 H new ATOM 0 HB VAL B 102 34.920 13.698 4.736 1.00 0.00 H new ATOM 0 HG11 VAL B 102 35.148 15.567 3.100 1.00 0.00 H new ATOM 0 HG12 VAL B 102 34.065 14.272 2.536 1.00 0.00 H new ATOM 0 HG13 VAL B 102 33.384 15.794 3.158 1.00 0.00 H new ATOM 0 HG21 VAL B 102 35.424 16.077 5.393 1.00 0.00 H new ATOM 0 HG22 VAL B 102 33.686 16.328 5.684 1.00 0.00 H new ATOM 0 HG23 VAL B 102 34.597 15.167 6.679 1.00 0.00 H new ATOM 359 N ASN B 103 31.250 15.382 5.955 1.00 0.00 N ATOM 360 CA ASN B 103 30.057 16.235 5.980 1.00 0.00 C ATOM 361 C ASN B 103 30.153 17.360 4.929 1.00 0.00 C ATOM 362 O ASN B 103 31.233 17.911 4.693 1.00 0.00 O ATOM 363 CB ASN B 103 29.835 16.800 7.396 1.00 0.00 C ATOM 364 CG ASN B 103 29.491 15.775 8.465 1.00 0.00 C ATOM 365 OD1 ASN B 103 29.433 14.576 8.246 1.00 0.00 O ATOM 366 ND2 ASN B 103 29.268 16.220 9.681 1.00 0.00 N ATOM 0 H ASN B 103 31.780 15.397 6.826 1.00 0.00 H new ATOM 0 HA ASN B 103 29.191 15.626 5.719 1.00 0.00 H new ATOM 0 HB2 ASN B 103 30.737 17.329 7.702 1.00 0.00 H new ATOM 0 HB3 ASN B 103 29.033 17.537 7.352 1.00 0.00 H new ATOM 0 HD21 ASN B 103 29.049 15.565 10.432 1.00 0.00 H new ATOM 0 HD22 ASN B 103 29.314 17.220 9.874 1.00 0.00 H new ATOM 373 N GLN B 104 29.024 17.711 4.306 1.00 0.00 N ATOM 374 CA GLN B 104 28.971 18.600 3.130 1.00 0.00 C ATOM 375 C GLN B 104 27.795 19.586 3.157 1.00 0.00 C ATOM 376 O GLN B 104 26.802 19.356 3.847 1.00 0.00 O ATOM 377 CB GLN B 104 28.954 17.743 1.846 1.00 0.00 C ATOM 378 CG GLN B 104 27.773 16.755 1.755 1.00 0.00 C ATOM 379 CD GLN B 104 27.758 15.932 0.465 1.00 0.00 C ATOM 380 OE1 GLN B 104 28.515 16.140 -0.475 1.00 0.00 O ATOM 381 NE2 GLN B 104 26.876 14.959 0.358 1.00 0.00 N ATOM 0 H GLN B 104 28.105 17.384 4.605 1.00 0.00 H new ATOM 0 HA GLN B 104 29.866 19.222 3.150 1.00 0.00 H new ATOM 0 HB2 GLN B 104 28.924 18.406 0.981 1.00 0.00 H new ATOM 0 HB3 GLN B 104 29.887 17.182 1.786 1.00 0.00 H new ATOM 0 HG2 GLN B 104 27.811 16.077 2.608 1.00 0.00 H new ATOM 0 HG3 GLN B 104 26.839 17.311 1.832 1.00 0.00 H new ATOM 0 HE21 GLN B 104 26.234 14.766 1.127 1.00 0.00 H new ATOM 0 HE22 GLN B 104 26.835 14.399 -0.494 1.00 0.00 H new ATOM 390 N HIS B 105 27.898 20.681 2.389 1.00 0.00 N ATOM 391 CA HIS B 105 26.794 21.623 2.155 1.00 0.00 C ATOM 392 C HIS B 105 25.853 21.115 1.050 1.00 0.00 C ATOM 393 O HIS B 105 26.311 20.735 -0.030 1.00 0.00 O ATOM 394 CB HIS B 105 27.329 23.017 1.779 1.00 0.00 C ATOM 395 CG HIS B 105 27.870 23.824 2.932 1.00 0.00 C ATOM 396 ND1 HIS B 105 27.157 24.712 3.712 1.00 0.00 N ATOM 397 CD2 HIS B 105 29.177 23.908 3.320 1.00 0.00 C ATOM 398 CE1 HIS B 105 28.017 25.311 4.553 1.00 0.00 C ATOM 399 NE2 HIS B 105 29.265 24.847 4.358 1.00 0.00 N ATOM 0 H HIS B 105 28.759 20.940 1.908 1.00 0.00 H new ATOM 0 HA HIS B 105 26.231 21.699 3.085 1.00 0.00 H new ATOM 0 HB2 HIS B 105 28.118 22.899 1.036 1.00 0.00 H new ATOM 0 HB3 HIS B 105 26.527 23.582 1.305 1.00 0.00 H new ATOM 0 HD1 HIS B 105 26.153 24.884 3.659 1.00 0.00 H new ATOM 0 HD2 HIS B 105 30.000 23.348 2.900 1.00 0.00 H new ATOM 0 HE1 HIS B 105 27.745 26.059 5.283 1.00 0.00 H new ATOM 407 N LEU B 106 24.538 21.162 1.295 1.00 0.00 N ATOM 408 CA LEU B 106 23.469 20.837 0.336 1.00 0.00 C ATOM 409 C LEU B 106 22.258 21.757 0.556 1.00 0.00 C ATOM 410 O LEU B 106 21.804 21.931 1.684 1.00 0.00 O ATOM 411 CB LEU B 106 23.015 19.376 0.514 1.00 0.00 C ATOM 412 CG LEU B 106 24.080 18.296 0.270 1.00 0.00 C ATOM 413 CD1 LEU B 106 23.556 16.967 0.802 1.00 0.00 C ATOM 414 CD2 LEU B 106 24.397 18.127 -1.215 1.00 0.00 C ATOM 0 H LEU B 106 24.171 21.439 2.206 1.00 0.00 H new ATOM 0 HA LEU B 106 23.863 20.980 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU B 106 22.634 19.258 1.528 1.00 0.00 H new ATOM 0 HB3 LEU B 106 22.181 19.192 -0.163 1.00 0.00 H new ATOM 0 HG LEU B 106 24.993 18.603 0.781 1.00 0.00 H new ATOM 0 HD11 LEU B 106 24.301 16.189 0.636 1.00 0.00 H new ATOM 0 HD12 LEU B 106 23.356 17.056 1.870 1.00 0.00 H new ATOM 0 HD13 LEU B 106 22.635 16.704 0.281 1.00 0.00 H new ATOM 0 HD21 LEU B 106 25.155 17.353 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU B 106 23.492 17.838 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU B 106 24.771 19.069 -1.617 1.00 0.00 H new ATOM 426 N CYS B 107 21.694 22.301 -0.526 1.00 0.00 N ATOM 427 CA CYS B 107 20.549 23.220 -0.495 1.00 0.00 C ATOM 428 C CYS B 107 19.416 22.748 -1.422 1.00 0.00 C ATOM 429 O CYS B 107 19.667 22.127 -2.459 1.00 0.00 O ATOM 430 CB CYS B 107 21.025 24.627 -0.891 1.00 0.00 C ATOM 431 SG CYS B 107 22.320 25.372 0.151 1.00 0.00 S ATOM 0 H CYS B 107 22.028 22.111 -1.471 1.00 0.00 H new ATOM 0 HA CYS B 107 20.144 23.240 0.517 1.00 0.00 H new ATOM 0 HB2 CYS B 107 21.394 24.586 -1.916 1.00 0.00 H new ATOM 0 HB3 CYS B 107 20.161 25.292 -0.889 1.00 0.00 H new ATOM 436 N GLY B 108 18.164 23.073 -1.069 1.00 0.00 N ATOM 437 CA GLY B 108 16.983 22.910 -1.929 1.00 0.00 C ATOM 438 C GLY B 108 16.829 21.508 -2.534 1.00 0.00 C ATOM 439 O GLY B 108 16.869 20.497 -1.829 1.00 0.00 O ATOM 0 H GLY B 108 17.939 23.466 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY B 108 16.090 23.142 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY B 108 17.034 23.638 -2.738 1.00 0.00 H new ATOM 443 N SER B 109 16.689 21.438 -3.860 1.00 0.00 N ATOM 444 CA SER B 109 16.529 20.185 -4.615 1.00 0.00 C ATOM 445 C SER B 109 17.695 19.202 -4.430 1.00 0.00 C ATOM 446 O SER B 109 17.478 17.993 -4.487 1.00 0.00 O ATOM 447 CB SER B 109 16.376 20.493 -6.110 1.00 0.00 C ATOM 448 OG SER B 109 15.312 21.411 -6.327 1.00 0.00 O ATOM 0 H SER B 109 16.683 22.267 -4.455 1.00 0.00 H new ATOM 0 HA SER B 109 15.635 19.705 -4.218 1.00 0.00 H new ATOM 0 HB2 SER B 109 17.306 20.908 -6.498 1.00 0.00 H new ATOM 0 HB3 SER B 109 16.185 19.571 -6.659 1.00 0.00 H new ATOM 0 HG SER B 109 15.231 21.597 -7.286 1.00 0.00 H new ATOM 454 N HIS B 110 18.919 19.680 -4.161 1.00 0.00 N ATOM 455 CA HIS B 110 20.077 18.817 -3.905 1.00 0.00 C ATOM 456 C HIS B 110 20.021 18.184 -2.503 1.00 0.00 C ATOM 457 O HIS B 110 20.385 17.020 -2.341 1.00 0.00 O ATOM 458 CB HIS B 110 21.366 19.635 -4.100 1.00 0.00 C ATOM 459 CG HIS B 110 22.614 18.825 -4.370 1.00 0.00 C ATOM 460 ND1 HIS B 110 23.888 19.334 -4.480 1.00 0.00 N ATOM 461 CD2 HIS B 110 22.706 17.475 -4.590 1.00 0.00 C ATOM 462 CE1 HIS B 110 24.726 18.321 -4.757 1.00 0.00 C ATOM 463 NE2 HIS B 110 24.050 17.161 -4.835 1.00 0.00 N ATOM 0 H HIS B 110 19.132 20.676 -4.115 1.00 0.00 H new ATOM 0 HA HIS B 110 20.063 17.991 -4.616 1.00 0.00 H new ATOM 0 HB2 HIS B 110 21.215 20.326 -4.929 1.00 0.00 H new ATOM 0 HB3 HIS B 110 21.531 20.239 -3.208 1.00 0.00 H new ATOM 0 HD2 HIS B 110 21.884 16.774 -4.577 1.00 0.00 H new ATOM 0 HE1 HIS B 110 25.792 18.424 -4.897 1.00 0.00 H new ATOM 0 HE2 HIS B 110 24.437 16.238 -5.033 1.00 0.00 H new ATOM 471 N LEU B 111 19.502 18.916 -1.511 1.00 0.00 N ATOM 472 CA LEU B 111 19.231 18.404 -0.165 1.00 0.00 C ATOM 473 C LEU B 111 18.106 17.356 -0.193 1.00 0.00 C ATOM 474 O LEU B 111 18.248 16.292 0.413 1.00 0.00 O ATOM 475 CB LEU B 111 18.962 19.616 0.756 1.00 0.00 C ATOM 476 CG LEU B 111 18.738 19.378 2.263 1.00 0.00 C ATOM 477 CD1 LEU B 111 17.310 18.964 2.599 1.00 0.00 C ATOM 478 CD2 LEU B 111 19.683 18.345 2.864 1.00 0.00 C ATOM 0 H LEU B 111 19.254 19.899 -1.624 1.00 0.00 H new ATOM 0 HA LEU B 111 20.088 17.866 0.241 1.00 0.00 H new ATOM 0 HB2 LEU B 111 19.804 20.300 0.653 1.00 0.00 H new ATOM 0 HB3 LEU B 111 18.083 20.133 0.371 1.00 0.00 H new ATOM 0 HG LEU B 111 18.948 20.351 2.707 1.00 0.00 H new ATOM 0 HD11 LEU B 111 17.219 18.812 3.674 1.00 0.00 H new ATOM 0 HD12 LEU B 111 16.620 19.747 2.283 1.00 0.00 H new ATOM 0 HD13 LEU B 111 17.068 18.037 2.080 1.00 0.00 H new ATOM 0 HD21 LEU B 111 19.468 18.229 3.926 1.00 0.00 H new ATOM 0 HD22 LEU B 111 19.545 17.389 2.360 1.00 0.00 H new ATOM 0 HD23 LEU B 111 20.713 18.677 2.737 1.00 0.00 H new ATOM 490 N VAL B 112 17.039 17.595 -0.970 1.00 0.00 N ATOM 491 CA VAL B 112 15.985 16.592 -1.221 1.00 0.00 C ATOM 492 C VAL B 112 16.555 15.356 -1.915 1.00 0.00 C ATOM 493 O VAL B 112 16.354 14.249 -1.428 1.00 0.00 O ATOM 494 CB VAL B 112 14.805 17.166 -2.029 1.00 0.00 C ATOM 495 CG1 VAL B 112 13.760 16.105 -2.401 1.00 0.00 C ATOM 496 CG2 VAL B 112 14.098 18.275 -1.242 1.00 0.00 C ATOM 0 H VAL B 112 16.880 18.485 -1.442 1.00 0.00 H new ATOM 0 HA VAL B 112 15.597 16.299 -0.245 1.00 0.00 H new ATOM 0 HB VAL B 112 15.240 17.559 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL B 112 12.955 16.571 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL B 112 14.229 15.329 -3.006 1.00 0.00 H new ATOM 0 HG13 VAL B 112 13.353 15.660 -1.493 1.00 0.00 H new ATOM 0 HG21 VAL B 112 13.268 18.666 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL B 112 13.718 17.870 -0.304 1.00 0.00 H new ATOM 0 HG23 VAL B 112 14.804 19.078 -1.031 1.00 0.00 H new ATOM 506 N GLU B 113 17.300 15.508 -3.013 1.00 0.00 N ATOM 507 CA GLU B 113 17.877 14.371 -3.745 1.00 0.00 C ATOM 508 C GLU B 113 18.800 13.526 -2.853 1.00 0.00 C ATOM 509 O GLU B 113 18.691 12.299 -2.840 1.00 0.00 O ATOM 510 CB GLU B 113 18.598 14.889 -4.997 1.00 0.00 C ATOM 511 CG GLU B 113 19.150 13.761 -5.879 1.00 0.00 C ATOM 512 CD GLU B 113 19.694 14.319 -7.207 1.00 0.00 C ATOM 513 OE1 GLU B 113 20.866 14.763 -7.248 1.00 0.00 O ATOM 514 OE2 GLU B 113 18.958 14.316 -8.224 1.00 0.00 O ATOM 0 H GLU B 113 17.521 16.417 -3.420 1.00 0.00 H new ATOM 0 HA GLU B 113 17.072 13.705 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU B 113 17.908 15.496 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU B 113 19.418 15.541 -4.694 1.00 0.00 H new ATOM 0 HG2 GLU B 113 19.944 13.234 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU B 113 18.364 13.033 -6.080 1.00 0.00 H new ATOM 521 N ALA B 114 19.647 14.169 -2.048 1.00 0.00 N ATOM 522 CA ALA B 114 20.528 13.486 -1.108 1.00 0.00 C ATOM 523 C ALA B 114 19.758 12.756 0.006 1.00 0.00 C ATOM 524 O ALA B 114 20.068 11.597 0.283 1.00 0.00 O ATOM 525 CB ALA B 114 21.504 14.509 -0.530 1.00 0.00 C ATOM 0 H ALA B 114 19.739 15.185 -2.032 1.00 0.00 H new ATOM 0 HA ALA B 114 21.073 12.709 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA B 114 22.172 14.016 0.176 1.00 0.00 H new ATOM 0 HB2 ALA B 114 22.090 14.949 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA B 114 20.948 15.293 -0.016 1.00 0.00 H new ATOM 531 N LEU B 115 18.733 13.371 0.616 1.00 0.00 N ATOM 532 CA LEU B 115 17.940 12.696 1.655 1.00 0.00 C ATOM 533 C LEU B 115 17.153 11.515 1.072 1.00 0.00 C ATOM 534 O LEU B 115 17.065 10.465 1.704 1.00 0.00 O ATOM 535 CB LEU B 115 17.100 13.712 2.461 1.00 0.00 C ATOM 536 CG LEU B 115 15.660 14.006 1.981 1.00 0.00 C ATOM 537 CD1 LEU B 115 14.634 13.007 2.525 1.00 0.00 C ATOM 538 CD2 LEU B 115 15.254 15.390 2.468 1.00 0.00 C ATOM 0 H LEU B 115 18.436 14.325 0.411 1.00 0.00 H new ATOM 0 HA LEU B 115 18.611 12.247 2.387 1.00 0.00 H new ATOM 0 HB2 LEU B 115 17.043 13.357 3.490 1.00 0.00 H new ATOM 0 HB3 LEU B 115 17.645 14.656 2.480 1.00 0.00 H new ATOM 0 HG LEU B 115 15.666 13.932 0.894 1.00 0.00 H new ATOM 0 HD11 LEU B 115 13.642 13.265 2.154 1.00 0.00 H new ATOM 0 HD12 LEU B 115 14.895 12.001 2.195 1.00 0.00 H new ATOM 0 HD13 LEU B 115 14.634 13.042 3.614 1.00 0.00 H new ATOM 0 HD21 LEU B 115 14.239 15.610 2.136 1.00 0.00 H new ATOM 0 HD22 LEU B 115 15.293 15.419 3.557 1.00 0.00 H new ATOM 0 HD23 LEU B 115 15.938 16.134 2.061 1.00 0.00 H new ATOM 550 N TYR B 116 16.643 11.646 -0.157 1.00 0.00 N ATOM 551 CA TYR B 116 15.916 10.583 -0.849 1.00 0.00 C ATOM 552 C TYR B 116 16.833 9.386 -1.153 1.00 0.00 C ATOM 553 O TYR B 116 16.457 8.247 -0.886 1.00 0.00 O ATOM 554 CB TYR B 116 15.267 11.149 -2.126 1.00 0.00 C ATOM 555 CG TYR B 116 13.924 10.545 -2.483 1.00 0.00 C ATOM 556 CD1 TYR B 116 13.835 9.203 -2.902 1.00 0.00 C ATOM 557 CD2 TYR B 116 12.758 11.339 -2.400 1.00 0.00 C ATOM 558 CE1 TYR B 116 12.583 8.649 -3.229 1.00 0.00 C ATOM 559 CE2 TYR B 116 11.504 10.782 -2.721 1.00 0.00 C ATOM 560 CZ TYR B 116 11.414 9.433 -3.133 1.00 0.00 C ATOM 561 OH TYR B 116 10.210 8.874 -3.430 1.00 0.00 O ATOM 0 H TYR B 116 16.726 12.504 -0.703 1.00 0.00 H new ATOM 0 HA TYR B 116 15.125 10.211 -0.198 1.00 0.00 H new ATOM 0 HB2 TYR B 116 15.144 12.225 -2.007 1.00 0.00 H new ATOM 0 HB3 TYR B 116 15.951 10.997 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR B 116 14.728 8.599 -2.972 1.00 0.00 H new ATOM 0 HD2 TYR B 116 12.828 12.371 -2.091 1.00 0.00 H new ATOM 0 HE1 TYR B 116 12.517 7.621 -3.554 1.00 0.00 H new ATOM 0 HE2 TYR B 116 10.611 11.386 -2.652 1.00 0.00 H new ATOM 0 HH TYR B 116 9.522 9.248 -2.841 1.00 0.00 H new ATOM 571 N LEU B 117 18.058 9.634 -1.637 1.00 0.00 N ATOM 572 CA LEU B 117 19.051 8.591 -1.923 1.00 0.00 C ATOM 573 C LEU B 117 19.586 7.921 -0.642 1.00 0.00 C ATOM 574 O LEU B 117 19.703 6.694 -0.599 1.00 0.00 O ATOM 575 CB LEU B 117 20.205 9.187 -2.752 1.00 0.00 C ATOM 576 CG LEU B 117 19.837 9.523 -4.213 1.00 0.00 C ATOM 577 CD1 LEU B 117 20.982 10.318 -4.848 1.00 0.00 C ATOM 578 CD2 LEU B 117 19.600 8.269 -5.060 1.00 0.00 C ATOM 0 H LEU B 117 18.390 10.576 -1.843 1.00 0.00 H new ATOM 0 HA LEU B 117 18.556 7.809 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU B 117 20.557 10.095 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU B 117 21.037 8.482 -2.753 1.00 0.00 H new ATOM 0 HG LEU B 117 18.912 10.099 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU B 117 20.729 10.559 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU B 117 21.139 11.240 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU B 117 21.894 9.722 -4.828 1.00 0.00 H new ATOM 0 HD21 LEU B 117 19.344 8.561 -6.079 1.00 0.00 H new ATOM 0 HD22 LEU B 117 20.505 7.662 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU B 117 18.781 7.690 -4.632 1.00 0.00 H new ATOM 590 N VAL B 118 19.851 8.689 0.423 1.00 0.00 N ATOM 591 CA VAL B 118 20.278 8.149 1.731 1.00 0.00 C ATOM 592 C VAL B 118 19.149 7.340 2.397 1.00 0.00 C ATOM 593 O VAL B 118 19.413 6.327 3.044 1.00 0.00 O ATOM 594 CB VAL B 118 20.833 9.272 2.639 1.00 0.00 C ATOM 595 CG1 VAL B 118 21.079 8.805 4.072 1.00 0.00 C ATOM 596 CG2 VAL B 118 22.180 9.765 2.088 1.00 0.00 C ATOM 0 H VAL B 118 19.777 9.706 0.407 1.00 0.00 H new ATOM 0 HA VAL B 118 21.097 7.450 1.565 1.00 0.00 H new ATOM 0 HB VAL B 118 20.080 10.060 2.647 1.00 0.00 H new ATOM 0 HG11 VAL B 118 21.468 9.634 4.663 1.00 0.00 H new ATOM 0 HG12 VAL B 118 20.142 8.457 4.507 1.00 0.00 H new ATOM 0 HG13 VAL B 118 21.803 7.990 4.070 1.00 0.00 H new ATOM 0 HG21 VAL B 118 22.568 10.556 2.730 1.00 0.00 H new ATOM 0 HG22 VAL B 118 22.888 8.937 2.064 1.00 0.00 H new ATOM 0 HG23 VAL B 118 22.040 10.152 1.079 1.00 0.00 H new ATOM 606 N CYS B 119 17.889 7.724 2.170 1.00 0.00 N ATOM 607 CA CYS B 119 16.698 6.983 2.600 1.00 0.00 C ATOM 608 C CYS B 119 16.300 5.821 1.651 1.00 0.00 C ATOM 609 O CYS B 119 15.270 5.174 1.853 1.00 0.00 O ATOM 610 CB CYS B 119 15.575 8.003 2.831 1.00 0.00 C ATOM 611 SG CYS B 119 14.244 7.480 3.933 1.00 0.00 S ATOM 0 H CYS B 119 17.663 8.583 1.668 1.00 0.00 H new ATOM 0 HA CYS B 119 16.916 6.462 3.532 1.00 0.00 H new ATOM 0 HB2 CYS B 119 16.016 8.914 3.234 1.00 0.00 H new ATOM 0 HB3 CYS B 119 15.140 8.260 1.865 1.00 0.00 H new ATOM 616 N GLY B 120 17.106 5.529 0.624 1.00 0.00 N ATOM 617 CA GLY B 120 16.962 4.355 -0.247 1.00 0.00 C ATOM 618 C GLY B 120 15.619 4.279 -0.986 1.00 0.00 C ATOM 619 O GLY B 120 15.210 5.218 -1.670 1.00 0.00 O ATOM 0 H GLY B 120 17.898 6.118 0.368 1.00 0.00 H new ATOM 0 HA2 GLY B 120 17.768 4.361 -0.981 1.00 0.00 H new ATOM 0 HA3 GLY B 120 17.084 3.454 0.354 1.00 0.00 H new ATOM 623 N GLU B 121 14.924 3.147 -0.855 1.00 0.00 N ATOM 624 CA GLU B 121 13.628 2.882 -1.506 1.00 0.00 C ATOM 625 C GLU B 121 12.420 3.603 -0.865 1.00 0.00 C ATOM 626 O GLU B 121 11.322 3.571 -1.430 1.00 0.00 O ATOM 627 CB GLU B 121 13.402 1.361 -1.596 1.00 0.00 C ATOM 628 CG GLU B 121 13.226 0.673 -0.232 1.00 0.00 C ATOM 629 CD GLU B 121 12.989 -0.841 -0.404 1.00 0.00 C ATOM 630 OE1 GLU B 121 11.817 -1.268 -0.546 1.00 0.00 O ATOM 631 OE2 GLU B 121 13.974 -1.620 -0.390 1.00 0.00 O ATOM 0 H GLU B 121 15.249 2.368 -0.282 1.00 0.00 H new ATOM 0 HA GLU B 121 13.690 3.310 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU B 121 12.518 1.171 -2.204 1.00 0.00 H new ATOM 0 HB3 GLU B 121 14.248 0.908 -2.113 1.00 0.00 H new ATOM 0 HG2 GLU B 121 14.112 0.839 0.380 1.00 0.00 H new ATOM 0 HG3 GLU B 121 12.384 1.119 0.298 1.00 0.00 H new ATOM 638 N ARG B 122 12.603 4.253 0.295 1.00 0.00 N ATOM 639 CA ARG B 122 11.554 4.983 1.028 1.00 0.00 C ATOM 640 C ARG B 122 11.398 6.419 0.514 1.00 0.00 C ATOM 641 O ARG B 122 10.444 6.701 -0.212 1.00 0.00 O ATOM 642 CB ARG B 122 11.788 4.833 2.551 1.00 0.00 C ATOM 643 CG ARG B 122 11.007 5.786 3.473 1.00 0.00 C ATOM 644 CD ARG B 122 9.489 5.802 3.261 1.00 0.00 C ATOM 645 NE ARG B 122 8.893 6.928 4.001 1.00 0.00 N ATOM 646 CZ ARG B 122 8.382 6.915 5.219 1.00 0.00 C ATOM 647 NH1 ARG B 122 8.308 5.828 5.939 1.00 0.00 N ATOM 648 NH2 ARG B 122 7.929 8.014 5.749 1.00 0.00 N ATOM 0 H ARG B 122 13.509 4.287 0.763 1.00 0.00 H new ATOM 0 HA ARG B 122 10.577 4.541 0.834 1.00 0.00 H new ATOM 0 HB2 ARG B 122 11.540 3.810 2.833 1.00 0.00 H new ATOM 0 HB3 ARG B 122 12.852 4.969 2.746 1.00 0.00 H new ATOM 0 HG2 ARG B 122 11.210 5.512 4.508 1.00 0.00 H new ATOM 0 HG3 ARG B 122 11.388 6.797 3.330 1.00 0.00 H new ATOM 0 HD2 ARG B 122 9.262 5.892 2.199 1.00 0.00 H new ATOM 0 HD3 ARG B 122 9.055 4.861 3.601 1.00 0.00 H new ATOM 0 HE ARG B 122 8.873 7.824 3.515 1.00 0.00 H new ATOM 0 HH11 ARG B 122 8.653 4.944 5.565 1.00 0.00 H new ATOM 0 HH12 ARG B 122 7.906 5.863 6.876 1.00 0.00 H new ATOM 0 HH21 ARG B 122 7.968 8.887 5.224 1.00 0.00 H new ATOM 0 HH22 ARG B 122 7.535 8.002 6.690 1.00 0.00 H new ATOM 662 N GLY B 123 12.312 7.324 0.881 1.00 0.00 N ATOM 663 CA GLY B 123 12.199 8.761 0.586 1.00 0.00 C ATOM 664 C GLY B 123 10.867 9.387 1.044 1.00 0.00 C ATOM 665 O GLY B 123 10.242 8.935 2.009 1.00 0.00 O ATOM 0 H GLY B 123 13.158 7.080 1.395 1.00 0.00 H new ATOM 0 HA2 GLY B 123 13.022 9.287 1.069 1.00 0.00 H new ATOM 0 HA3 GLY B 123 12.310 8.912 -0.488 1.00 0.00 H new ATOM 669 N PHE B 124 10.414 10.420 0.329 1.00 0.00 N ATOM 670 CA PHE B 124 9.075 11.003 0.492 1.00 0.00 C ATOM 671 C PHE B 124 8.034 10.298 -0.399 1.00 0.00 C ATOM 672 O PHE B 124 8.267 10.094 -1.593 1.00 0.00 O ATOM 673 CB PHE B 124 9.106 12.506 0.175 1.00 0.00 C ATOM 674 CG PHE B 124 9.980 13.375 1.066 1.00 0.00 C ATOM 675 CD1 PHE B 124 9.782 13.390 2.462 1.00 0.00 C ATOM 676 CD2 PHE B 124 10.943 14.232 0.497 1.00 0.00 C ATOM 677 CE1 PHE B 124 10.532 14.256 3.279 1.00 0.00 C ATOM 678 CE2 PHE B 124 11.668 15.123 1.310 1.00 0.00 C ATOM 679 CZ PHE B 124 11.465 15.132 2.700 1.00 0.00 C ATOM 0 H PHE B 124 10.972 10.882 -0.389 1.00 0.00 H new ATOM 0 HA PHE B 124 8.778 10.859 1.531 1.00 0.00 H new ATOM 0 HB2 PHE B 124 9.441 12.630 -0.855 1.00 0.00 H new ATOM 0 HB3 PHE B 124 8.085 12.885 0.226 1.00 0.00 H new ATOM 0 HD1 PHE B 124 9.050 12.732 2.907 1.00 0.00 H new ATOM 0 HD2 PHE B 124 11.125 14.205 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE B 124 10.391 14.247 4.350 1.00 0.00 H new ATOM 0 HE2 PHE B 124 12.381 15.801 0.865 1.00 0.00 H new ATOM 0 HZ PHE B 124 12.026 15.812 3.323 1.00 0.00 H new ATOM 689 N PHE B 125 6.853 9.993 0.153 1.00 0.00 N ATOM 690 CA PHE B 125 5.711 9.464 -0.614 1.00 0.00 C ATOM 691 C PHE B 125 4.984 10.540 -1.446 1.00 0.00 C ATOM 692 O PHE B 125 4.268 10.216 -2.399 1.00 0.00 O ATOM 693 CB PHE B 125 4.713 8.793 0.343 1.00 0.00 C ATOM 694 CG PHE B 125 5.245 7.632 1.168 1.00 0.00 C ATOM 695 CD1 PHE B 125 5.860 6.530 0.537 1.00 0.00 C ATOM 696 CD2 PHE B 125 5.076 7.628 2.566 1.00 0.00 C ATOM 697 CE1 PHE B 125 6.303 5.434 1.300 1.00 0.00 C ATOM 698 CE2 PHE B 125 5.513 6.528 3.326 1.00 0.00 C ATOM 699 CZ PHE B 125 6.119 5.431 2.694 1.00 0.00 C ATOM 0 H PHE B 125 6.659 10.106 1.148 1.00 0.00 H new ATOM 0 HA PHE B 125 6.116 8.739 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE B 125 4.332 9.552 1.027 1.00 0.00 H new ATOM 0 HB3 PHE B 125 3.865 8.436 -0.242 1.00 0.00 H new ATOM 0 HD1 PHE B 125 5.991 6.528 -0.535 1.00 0.00 H new ATOM 0 HD2 PHE B 125 4.610 8.471 3.055 1.00 0.00 H new ATOM 0 HE1 PHE B 125 6.783 4.597 0.816 1.00 0.00 H new ATOM 0 HE2 PHE B 125 5.382 6.528 4.398 1.00 0.00 H new ATOM 0 HZ PHE B 125 6.444 4.584 3.279 1.00 0.00 H new ATOM 709 N TYR B 126 5.164 11.813 -1.089 1.00 0.00 N ATOM 710 CA TYR B 126 4.529 12.993 -1.695 1.00 0.00 C ATOM 711 C TYR B 126 5.551 13.864 -2.450 1.00 0.00 C ATOM 712 O TYR B 126 6.765 13.672 -2.328 1.00 0.00 O ATOM 713 CB TYR B 126 3.813 13.787 -0.591 1.00 0.00 C ATOM 714 CG TYR B 126 2.842 12.963 0.240 1.00 0.00 C ATOM 715 CD1 TYR B 126 1.590 12.602 -0.293 1.00 0.00 C ATOM 716 CD2 TYR B 126 3.202 12.533 1.533 1.00 0.00 C ATOM 717 CE1 TYR B 126 0.700 11.815 0.462 1.00 0.00 C ATOM 718 CE2 TYR B 126 2.314 11.747 2.291 1.00 0.00 C ATOM 719 CZ TYR B 126 1.059 11.379 1.757 1.00 0.00 C ATOM 720 OH TYR B 126 0.197 10.606 2.474 1.00 0.00 O ATOM 0 H TYR B 126 5.792 12.066 -0.326 1.00 0.00 H new ATOM 0 HA TYR B 126 3.800 12.669 -2.437 1.00 0.00 H new ATOM 0 HB2 TYR B 126 4.561 14.223 0.071 1.00 0.00 H new ATOM 0 HB3 TYR B 126 3.271 14.615 -1.048 1.00 0.00 H new ATOM 0 HD1 TYR B 126 1.312 12.930 -1.284 1.00 0.00 H new ATOM 0 HD2 TYR B 126 4.162 12.808 1.944 1.00 0.00 H new ATOM 0 HE1 TYR B 126 -0.261 11.544 0.050 1.00 0.00 H new ATOM 0 HE2 TYR B 126 2.593 11.424 3.283 1.00 0.00 H new ATOM 0 HH TYR B 126 0.596 10.391 3.343 1.00 0.00 H new ATOM 730 N THR B 127 5.074 14.849 -3.218 1.00 0.00 N ATOM 731 CA THR B 127 5.941 15.847 -3.871 1.00 0.00 C ATOM 732 C THR B 127 6.728 16.677 -2.836 1.00 0.00 C ATOM 733 O THR B 127 6.174 17.045 -1.792 1.00 0.00 O ATOM 734 CB THR B 127 5.146 16.783 -4.802 1.00 0.00 C ATOM 735 OG1 THR B 127 3.980 17.273 -4.171 1.00 0.00 O ATOM 736 CG2 THR B 127 4.704 16.054 -6.073 1.00 0.00 C ATOM 0 H THR B 127 4.080 14.981 -3.407 1.00 0.00 H new ATOM 0 HA THR B 127 6.651 15.287 -4.480 1.00 0.00 H new ATOM 0 HB THR B 127 5.815 17.608 -5.048 1.00 0.00 H new ATOM 0 HG1 THR B 127 3.499 17.865 -4.787 1.00 0.00 H new ATOM 0 HG21 THR B 127 4.145 16.740 -6.710 1.00 0.00 H new ATOM 0 HG22 THR B 127 5.582 15.694 -6.610 1.00 0.00 H new ATOM 0 HG23 THR B 127 4.070 15.209 -5.806 1.00 0.00 H new ATOM 744 N PRO B 128 8.024 16.964 -3.075 1.00 0.00 N ATOM 745 CA PRO B 128 8.891 17.608 -2.091 1.00 0.00 C ATOM 746 C PRO B 128 8.645 19.121 -1.966 1.00 0.00 C ATOM 747 O PRO B 128 8.220 19.788 -2.917 1.00 0.00 O ATOM 748 CB PRO B 128 10.318 17.297 -2.548 1.00 0.00 C ATOM 749 CG PRO B 128 10.179 17.210 -4.067 1.00 0.00 C ATOM 750 CD PRO B 128 8.801 16.575 -4.245 1.00 0.00 C ATOM 0 HA PRO B 128 8.690 17.226 -1.090 1.00 0.00 H new ATOM 0 HB2 PRO B 128 11.017 18.079 -2.250 1.00 0.00 H new ATOM 0 HB3 PRO B 128 10.684 16.363 -2.122 1.00 0.00 H new ATOM 0 HG2 PRO B 128 10.235 18.193 -4.535 1.00 0.00 H new ATOM 0 HG3 PRO B 128 10.966 16.600 -4.511 1.00 0.00 H new ATOM 0 HD2 PRO B 128 8.326 16.924 -5.162 1.00 0.00 H new ATOM 0 HD3 PRO B 128 8.878 15.490 -4.319 1.00 0.00 H new ATOM 758 N LYS B 129 8.960 19.666 -0.785 1.00 0.00 N ATOM 759 CA LYS B 129 8.909 21.099 -0.454 1.00 0.00 C ATOM 760 C LYS B 129 10.005 21.456 0.562 1.00 0.00 C ATOM 761 O LYS B 129 10.239 20.721 1.521 1.00 0.00 O ATOM 762 CB LYS B 129 7.486 21.437 0.049 1.00 0.00 C ATOM 763 CG LYS B 129 7.292 22.835 0.665 1.00 0.00 C ATOM 764 CD LYS B 129 7.647 24.013 -0.257 1.00 0.00 C ATOM 765 CE LYS B 129 7.689 25.311 0.561 1.00 0.00 C ATOM 766 NZ LYS B 129 8.608 26.311 -0.043 1.00 0.00 N ATOM 0 H LYS B 129 9.271 19.097 0.002 1.00 0.00 H new ATOM 0 HA LYS B 129 9.109 21.706 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS B 129 6.794 21.333 -0.787 1.00 0.00 H new ATOM 0 HB3 LYS B 129 7.201 20.693 0.793 1.00 0.00 H new ATOM 0 HG2 LYS B 129 6.252 22.937 0.974 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.900 22.904 1.567 1.00 0.00 H new ATOM 0 HD2 LYS B 129 8.613 23.839 -0.731 1.00 0.00 H new ATOM 0 HD3 LYS B 129 6.910 24.098 -1.056 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.686 25.732 0.628 1.00 0.00 H new ATOM 0 HE3 LYS B 129 8.010 25.090 1.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 8.559 27.198 0.498 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 9.581 25.945 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 8.327 26.490 -1.028 1.00 0.00 H new ATOM 780 N THR B 130 10.666 22.594 0.352 1.00 0.00 N ATOM 781 CA THR B 130 11.658 23.181 1.268 1.00 0.00 C ATOM 782 C THR B 130 11.027 23.592 2.608 1.00 0.00 C ATOM 783 O THR B 130 9.939 24.177 2.646 1.00 0.00 O ATOM 784 CB THR B 130 12.353 24.391 0.616 1.00 0.00 C ATOM 785 OG1 THR B 130 11.402 25.257 0.017 1.00 0.00 O ATOM 786 CG2 THR B 130 13.314 23.950 -0.487 1.00 0.00 C ATOM 0 H THR B 130 10.525 23.156 -0.488 1.00 0.00 H new ATOM 0 HA THR B 130 12.402 22.412 1.472 1.00 0.00 H new ATOM 0 HB THR B 130 12.896 24.902 1.411 1.00 0.00 H new ATOM 0 HG1 THR B 130 11.864 26.019 -0.390 1.00 0.00 H new ATOM 0 HG21 THR B 130 13.789 24.827 -0.928 1.00 0.00 H new ATOM 0 HG22 THR B 130 14.078 23.297 -0.064 1.00 0.00 H new ATOM 0 HG23 THR B 130 12.762 23.411 -1.257 1.00 0.00 H new ATOM 794 N ARG B 131 11.710 23.277 3.718 1.00 0.00 N ATOM 795 CA ARG B 131 11.225 23.464 5.099 1.00 0.00 C ATOM 796 C ARG B 131 12.357 23.774 6.077 1.00 0.00 C ATOM 797 O ARG B 131 12.180 24.683 6.914 1.00 0.00 O ATOM 798 CB ARG B 131 10.386 22.243 5.535 1.00 0.00 C ATOM 799 CG ARG B 131 11.102 20.882 5.443 1.00 0.00 C ATOM 800 CD ARG B 131 10.188 19.751 5.932 1.00 0.00 C ATOM 801 NE ARG B 131 10.864 18.436 5.902 1.00 0.00 N ATOM 802 CZ ARG B 131 10.485 17.358 6.560 1.00 0.00 C ATOM 803 NH1 ARG B 131 9.428 17.318 7.310 1.00 0.00 N ATOM 804 NH2 ARG B 131 11.157 16.251 6.514 1.00 0.00 N ATOM 805 OXT ARG B 131 13.417 23.115 6.017 1.00 0.00 O ATOM 0 H ARG B 131 12.645 22.872 3.681 1.00 0.00 H new ATOM 0 HA ARG B 131 10.579 24.341 5.115 1.00 0.00 H new ATOM 0 HB2 ARG B 131 10.062 22.395 6.565 1.00 0.00 H new ATOM 0 HB3 ARG B 131 9.487 22.203 4.920 1.00 0.00 H new ATOM 0 HG2 ARG B 131 11.402 20.693 4.412 1.00 0.00 H new ATOM 0 HG3 ARG B 131 12.013 20.904 6.041 1.00 0.00 H new ATOM 0 HD2 ARG B 131 9.859 19.966 6.949 1.00 0.00 H new ATOM 0 HD3 ARG B 131 9.294 19.713 5.309 1.00 0.00 H new ATOM 0 HE ARG B 131 11.698 18.356 5.320 1.00 0.00 H new ATOM 0 HH11 ARG B 131 8.844 18.148 7.413 1.00 0.00 H new ATOM 0 HH12 ARG B 131 9.181 16.457 7.797 1.00 0.00 H new ATOM 0 HH21 ARG B 131 12.009 16.194 5.956 1.00 0.00 H new ATOM 0 HH22 ARG B 131 10.834 15.436 7.036 1.00 0.00 H new TER 819 ARG B 131