USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 986 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 ASN : amide:sc= -2.53! C(o=-2.5!,f=-13!) USER MOD Set 1.2: A 124 TYR OH : rot 165:sc= 0 USER MOD Set 2.1: A 33 GLN : amide:sc= -0.0523 K(o=-4.3,f=-6.1) USER MOD Set 2.2: A 34 HIS : no HD1:sc= -4.17! C(o=-4.3!,f=-7.5!) USER MOD Set 2.3: A 115 HIS : no HD1:sc= -0.0471 X(o=-4.3,f=-4.4) USER MOD Set 3.1: A 3 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 11 THR OG1 : rot 170:sc=0.000648 USER MOD Single : A 1 LYS N :NH3+ -105:sc= -2.9! (180deg=-6.93!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.312 F(o=-1,f=-0.31) USER MOD Single : A 17 MET CE :methyl -145:sc= -1.4 (180deg=-3.06!) USER MOD Single : A 20 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 62:sc= 1.17 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -8.5! C(o=-8.5!,f=-12!) USER MOD Single : A 40 THR OG1 : rot -72:sc= 1.01 USER MOD Single : A 43 THR OG1 : rot -100:sc= 1.23 USER MOD Single : A 44 ASN : amide:sc= -0.0718 X(o=-0.072,f=-0.27) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -3.01! C(o=-4.2!,f=-3!) USER MOD Single : A 50 GLN : amide:sc= -2.17 K(o=-2.2,f=-5.4!) USER MOD Single : A 51 SER OG : rot 36:sc= 0.729 USER MOD Single : A 52 THR OG1 : rot 160:sc= -2.66! USER MOD Single : A 54 TYR OH : rot 9:sc= -3.15 USER MOD Single : A 58 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.16) USER MOD Single : A 60 ASN : amide:sc= -4.38! C(o=-4.4!,f=-16!) USER MOD Single : A 61 SER OG : rot 78:sc= 0.632 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -2.37! C(o=-2.4!,f=-2.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -160:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.41! C(o=-2.4!,f=-6.2!) USER MOD Single : A 80 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.187 K(o=-0.19,f=-2!) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.256 K(o=-0.26,f=-2.9!) USER MOD Single : A 127 ASN : amide:sc= -0.173 K(o=-0.17,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -3.361 8.970 8.938 1.00 0.00 N ATOM 2 CA LYS A 1 -4.032 8.623 10.178 1.00 0.00 C ATOM 3 C LYS A 1 -3.254 7.507 10.879 1.00 0.00 C ATOM 4 O LYS A 1 -2.074 7.301 10.602 1.00 0.00 O ATOM 5 CB LYS A 1 -5.499 8.277 9.915 1.00 0.00 C ATOM 6 CG LYS A 1 -6.416 8.973 10.923 1.00 0.00 C ATOM 7 CD LYS A 1 -6.626 10.442 10.550 1.00 0.00 C ATOM 8 CE LYS A 1 -6.344 11.357 11.744 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.580 12.055 12.164 1.00 0.00 N ATOM 0 H1 LYS A 1 -2.863 9.876 9.054 1.00 0.00 H new ATOM 0 H2 LYS A 1 -2.675 8.227 8.695 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.063 9.056 8.176 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.046 9.477 10.855 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -5.771 8.577 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.638 7.198 9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.378 8.462 10.958 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.983 8.906 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.970 10.708 9.721 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.650 10.591 10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.950 10.771 12.574 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.579 12.087 11.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.372 12.672 12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -7.939 12.630 11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.298 11.355 12.437 1.00 0.00 H new ATOM 23 N VAL A 2 -3.947 6.819 11.775 1.00 0.00 N ATOM 24 CA VAL A 2 -3.335 5.731 12.518 1.00 0.00 C ATOM 25 C VAL A 2 -3.646 4.404 11.821 1.00 0.00 C ATOM 26 O VAL A 2 -4.803 4.113 11.520 1.00 0.00 O ATOM 27 CB VAL A 2 -3.802 5.764 13.975 1.00 0.00 C ATOM 28 CG1 VAL A 2 -3.250 4.569 14.755 1.00 0.00 C ATOM 29 CG2 VAL A 2 -3.414 7.084 14.645 1.00 0.00 C ATOM 0 H VAL A 2 -4.926 6.994 12.003 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.251 5.843 12.535 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.890 5.693 13.980 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.597 4.617 15.787 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.599 3.643 14.297 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.160 4.595 14.737 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.757 7.082 15.679 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.330 7.199 14.623 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.878 7.913 14.111 1.00 0.00 H new ATOM 39 N TYR A 3 -2.594 3.636 11.584 1.00 0.00 N ATOM 40 CA TYR A 3 -2.740 2.348 10.927 1.00 0.00 C ATOM 41 C TYR A 3 -1.482 1.496 11.106 1.00 0.00 C ATOM 42 O TYR A 3 -0.477 1.717 10.432 1.00 0.00 O ATOM 43 CB TYR A 3 -2.928 2.652 9.440 1.00 0.00 C ATOM 44 CG TYR A 3 -4.385 2.594 8.973 1.00 0.00 C ATOM 45 CD1 TYR A 3 -4.960 1.379 8.660 1.00 0.00 C ATOM 46 CD2 TYR A 3 -5.121 3.755 8.864 1.00 0.00 C ATOM 47 CE1 TYR A 3 -6.331 1.324 8.221 1.00 0.00 C ATOM 48 CE2 TYR A 3 -6.492 3.701 8.426 1.00 0.00 C ATOM 49 CZ TYR A 3 -7.029 2.488 8.125 1.00 0.00 C ATOM 50 OH TYR A 3 -8.323 2.436 7.709 1.00 0.00 O ATOM 0 H TYR A 3 -1.636 3.880 11.835 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.578 1.794 11.350 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.529 3.644 9.229 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.342 1.942 8.857 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.383 0.470 8.744 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.669 4.705 9.107 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.794 0.380 7.974 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.080 4.603 8.339 1.00 0.00 H new ATOM 0 HH TYR A 3 -8.697 3.342 7.689 1.00 0.00 H new ATOM 60 N GLU A 4 -1.579 0.539 12.018 1.00 0.00 N ATOM 61 CA GLU A 4 -0.461 -0.348 12.293 1.00 0.00 C ATOM 62 C GLU A 4 -0.761 -1.756 11.776 1.00 0.00 C ATOM 63 O GLU A 4 -1.878 -2.038 11.345 1.00 0.00 O ATOM 64 CB GLU A 4 -0.136 -0.372 13.788 1.00 0.00 C ATOM 65 CG GLU A 4 -1.203 -1.138 14.570 1.00 0.00 C ATOM 66 CD GLU A 4 -0.704 -1.498 15.971 1.00 0.00 C ATOM 67 OE1 GLU A 4 -0.305 -0.557 16.690 1.00 0.00 O ATOM 68 OE2 GLU A 4 -0.734 -2.706 16.291 1.00 0.00 O ATOM 0 H GLU A 4 -2.414 0.359 12.575 1.00 0.00 H new ATOM 0 HA GLU A 4 0.416 0.032 11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.838 -0.836 13.944 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.067 0.648 14.165 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.107 -0.534 14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.472 -2.047 14.031 1.00 0.00 H new ATOM 75 N ARG A 5 0.257 -2.603 11.834 1.00 0.00 N ATOM 76 CA ARG A 5 0.117 -3.974 11.376 1.00 0.00 C ATOM 77 C ARG A 5 -1.272 -4.512 11.727 1.00 0.00 C ATOM 78 O ARG A 5 -2.012 -4.952 10.849 1.00 0.00 O ATOM 79 CB ARG A 5 1.180 -4.877 12.006 1.00 0.00 C ATOM 80 CG ARG A 5 1.299 -4.617 13.509 1.00 0.00 C ATOM 81 CD ARG A 5 2.703 -4.955 14.015 1.00 0.00 C ATOM 82 NE ARG A 5 2.802 -4.667 15.463 1.00 0.00 N ATOM 83 CZ ARG A 5 2.851 -3.432 15.982 1.00 0.00 C ATOM 84 NH1 ARG A 5 2.809 -2.364 15.174 1.00 0.00 N ATOM 85 NH2 ARG A 5 2.940 -3.267 17.308 1.00 0.00 N ATOM 0 H ARG A 5 1.182 -2.365 12.192 1.00 0.00 H new ATOM 0 HA ARG A 5 0.249 -3.977 10.294 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.923 -5.922 11.833 1.00 0.00 H new ATOM 0 HB3 ARG A 5 2.143 -4.702 11.526 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.075 -3.571 13.720 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.562 -5.215 14.045 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.922 -6.006 13.829 1.00 0.00 H new ATOM 0 HD3 ARG A 5 3.445 -4.373 13.469 1.00 0.00 H new ATOM 0 HE ARG A 5 2.835 -5.458 16.107 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.740 -2.491 14.164 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.846 -1.424 15.569 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.970 -4.081 17.922 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.977 -2.328 17.704 1.00 0.00 H new ATOM 99 N CYS A 6 -1.584 -4.459 13.014 1.00 0.00 N ATOM 100 CA CYS A 6 -2.870 -4.934 13.492 1.00 0.00 C ATOM 101 C CYS A 6 -3.970 -4.198 12.725 1.00 0.00 C ATOM 102 O CYS A 6 -4.529 -4.732 11.768 1.00 0.00 O ATOM 103 CB CYS A 6 -3.012 -4.757 15.006 1.00 0.00 C ATOM 104 SG CYS A 6 -1.813 -5.709 16.006 1.00 0.00 S ATOM 0 H CYS A 6 -0.967 -4.094 13.740 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.956 -6.005 13.308 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.904 -3.699 15.246 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.021 -5.049 15.299 1.00 0.00 H new ATOM 109 N GLU A 7 -4.249 -2.983 13.174 1.00 0.00 N ATOM 110 CA GLU A 7 -5.272 -2.168 12.542 1.00 0.00 C ATOM 111 C GLU A 7 -5.305 -2.433 11.035 1.00 0.00 C ATOM 112 O GLU A 7 -6.293 -2.948 10.513 1.00 0.00 O ATOM 113 CB GLU A 7 -5.048 -0.683 12.833 1.00 0.00 C ATOM 114 CG GLU A 7 -6.002 -0.187 13.921 1.00 0.00 C ATOM 115 CD GLU A 7 -7.297 0.351 13.310 1.00 0.00 C ATOM 116 OE1 GLU A 7 -7.232 1.449 12.717 1.00 0.00 O ATOM 117 OE2 GLU A 7 -8.324 -0.349 13.451 1.00 0.00 O ATOM 0 H GLU A 7 -3.784 -2.543 13.968 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.239 -2.444 12.961 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.017 -0.522 13.148 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.197 -0.104 11.922 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.231 -1.002 14.608 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.518 0.596 14.505 1.00 0.00 H new ATOM 124 N PHE A 8 -4.215 -2.066 10.378 1.00 0.00 N ATOM 125 CA PHE A 8 -4.106 -2.258 8.942 1.00 0.00 C ATOM 126 C PHE A 8 -4.639 -3.632 8.530 1.00 0.00 C ATOM 127 O PHE A 8 -5.446 -3.738 7.608 1.00 0.00 O ATOM 128 CB PHE A 8 -2.620 -2.174 8.590 1.00 0.00 C ATOM 129 CG PHE A 8 -2.345 -1.747 7.147 1.00 0.00 C ATOM 130 CD1 PHE A 8 -2.504 -0.447 6.780 1.00 0.00 C ATOM 131 CD2 PHE A 8 -1.942 -2.668 6.230 1.00 0.00 C ATOM 132 CE1 PHE A 8 -2.249 -0.051 5.440 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.687 -2.272 4.891 1.00 0.00 C ATOM 134 CZ PHE A 8 -1.846 -0.972 4.524 1.00 0.00 C ATOM 0 H PHE A 8 -3.399 -1.636 10.814 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.691 -1.500 8.421 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.137 -1.468 9.265 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.160 -3.147 8.764 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.824 0.284 7.508 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.816 -3.700 6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.375 0.981 5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.367 -3.003 4.163 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.652 -0.671 3.505 1.00 0.00 H new ATOM 144 N ALA A 9 -4.166 -4.650 9.234 1.00 0.00 N ATOM 145 CA ALA A 9 -4.584 -6.012 8.952 1.00 0.00 C ATOM 146 C ALA A 9 -6.105 -6.112 9.085 1.00 0.00 C ATOM 147 O ALA A 9 -6.786 -6.541 8.155 1.00 0.00 O ATOM 148 CB ALA A 9 -3.852 -6.975 9.891 1.00 0.00 C ATOM 0 H ALA A 9 -3.497 -4.558 9.999 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.323 -6.290 7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.165 -7.997 9.680 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.777 -6.886 9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.092 -6.728 10.925 1.00 0.00 H new ATOM 154 N ARG A 10 -6.593 -5.708 10.249 1.00 0.00 N ATOM 155 CA ARG A 10 -8.021 -5.747 10.515 1.00 0.00 C ATOM 156 C ARG A 10 -8.795 -5.119 9.354 1.00 0.00 C ATOM 157 O ARG A 10 -9.675 -5.755 8.775 1.00 0.00 O ATOM 158 CB ARG A 10 -8.361 -5.001 11.807 1.00 0.00 C ATOM 159 CG ARG A 10 -9.684 -5.495 12.394 1.00 0.00 C ATOM 160 CD ARG A 10 -9.916 -4.914 13.790 1.00 0.00 C ATOM 161 NE ARG A 10 -11.364 -4.892 14.096 1.00 0.00 N ATOM 162 CZ ARG A 10 -12.072 -5.972 14.452 1.00 0.00 C ATOM 163 NH1 ARG A 10 -11.471 -7.166 14.549 1.00 0.00 N ATOM 164 NH2 ARG A 10 -13.382 -5.859 14.711 1.00 0.00 N ATOM 0 H ARG A 10 -6.025 -5.352 11.018 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.309 -6.792 10.625 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.561 -5.143 12.534 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.425 -3.931 11.607 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.506 -5.211 11.737 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.679 -6.584 12.446 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.388 -5.511 14.534 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.509 -3.904 13.845 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.853 -3.999 14.032 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.474 -7.253 14.352 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.011 -7.988 14.820 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.840 -4.951 14.637 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.921 -6.681 14.982 1.00 0.00 H new ATOM 178 N THR A 11 -8.438 -3.881 9.048 1.00 0.00 N ATOM 179 CA THR A 11 -9.087 -3.161 7.965 1.00 0.00 C ATOM 180 C THR A 11 -9.030 -3.976 6.672 1.00 0.00 C ATOM 181 O THR A 11 -10.061 -4.239 6.054 1.00 0.00 O ATOM 182 CB THR A 11 -8.426 -1.787 7.847 1.00 0.00 C ATOM 183 OG1 THR A 11 -8.905 -1.072 8.981 1.00 0.00 O ATOM 184 CG2 THR A 11 -8.948 -0.987 6.653 1.00 0.00 C ATOM 0 H THR A 11 -7.708 -3.358 9.531 1.00 0.00 H new ATOM 0 HA THR A 11 -10.147 -3.011 8.170 1.00 0.00 H new ATOM 0 HB THR A 11 -7.347 -1.910 7.757 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.406 -0.234 9.074 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.446 -0.020 6.615 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.748 -1.535 5.732 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.022 -0.834 6.759 1.00 0.00 H new ATOM 192 N LEU A 12 -7.816 -4.355 6.302 1.00 0.00 N ATOM 193 CA LEU A 12 -7.611 -5.135 5.093 1.00 0.00 C ATOM 194 C LEU A 12 -8.625 -6.280 5.053 1.00 0.00 C ATOM 195 O LEU A 12 -9.345 -6.441 4.069 1.00 0.00 O ATOM 196 CB LEU A 12 -6.156 -5.599 4.995 1.00 0.00 C ATOM 197 CG LEU A 12 -5.422 -5.237 3.702 1.00 0.00 C ATOM 198 CD1 LEU A 12 -4.464 -4.066 3.925 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.709 -6.458 3.117 1.00 0.00 C ATOM 0 H LEU A 12 -6.964 -4.137 6.818 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.786 -4.522 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.603 -5.176 5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.132 -6.682 5.112 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.160 -4.913 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.955 -3.829 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.026 -3.195 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.727 -4.338 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.195 -6.174 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.983 -6.835 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.440 -7.236 2.898 1.00 0.00 H new ATOM 211 N LYS A 13 -8.649 -7.045 6.134 1.00 0.00 N ATOM 212 CA LYS A 13 -9.563 -8.171 6.234 1.00 0.00 C ATOM 213 C LYS A 13 -10.999 -7.650 6.309 1.00 0.00 C ATOM 214 O LYS A 13 -11.938 -8.348 5.929 1.00 0.00 O ATOM 215 CB LYS A 13 -9.174 -9.075 7.405 1.00 0.00 C ATOM 216 CG LYS A 13 -9.632 -10.514 7.163 1.00 0.00 C ATOM 217 CD LYS A 13 -10.700 -10.927 8.178 1.00 0.00 C ATOM 218 CE LYS A 13 -11.441 -12.183 7.715 1.00 0.00 C ATOM 219 NZ LYS A 13 -11.398 -13.227 8.763 1.00 0.00 N ATOM 0 H LYS A 13 -8.050 -6.908 6.948 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.496 -8.797 5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.093 -9.052 7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.621 -8.697 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.030 -10.608 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.778 -11.188 7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.234 -11.111 9.146 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.410 -10.112 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.477 -11.936 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.989 -12.561 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.906 -14.072 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.409 -13.475 8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.850 -12.869 9.629 1.00 0.00 H new ATOM 233 N ARG A 14 -11.127 -6.427 6.803 1.00 0.00 N ATOM 234 CA ARG A 14 -12.433 -5.805 6.933 1.00 0.00 C ATOM 235 C ARG A 14 -12.926 -5.315 5.570 1.00 0.00 C ATOM 236 O ARG A 14 -14.131 -5.177 5.355 1.00 0.00 O ATOM 237 CB ARG A 14 -12.386 -4.622 7.904 1.00 0.00 C ATOM 238 CG ARG A 14 -13.796 -4.139 8.249 1.00 0.00 C ATOM 239 CD ARG A 14 -13.757 -2.752 8.893 1.00 0.00 C ATOM 240 NE ARG A 14 -15.110 -2.372 9.358 1.00 0.00 N ATOM 241 CZ ARG A 14 -15.419 -1.173 9.872 1.00 0.00 C ATOM 242 NH1 ARG A 14 -14.474 -0.231 9.989 1.00 0.00 N ATOM 243 NH2 ARG A 14 -16.674 -0.918 10.267 1.00 0.00 N ATOM 0 H ARG A 14 -10.347 -5.850 7.118 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.120 -6.556 7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.865 -4.916 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.816 -3.805 7.460 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.405 -4.108 7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.271 -4.847 8.929 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -13.061 -2.751 9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.391 -2.019 8.175 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.854 -3.066 9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.519 -0.426 9.687 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -14.709 0.681 10.380 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.393 -1.636 10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -16.910 -0.006 10.658 1.00 0.00 H new ATOM 257 N ASN A 15 -11.973 -5.068 4.685 1.00 0.00 N ATOM 258 CA ASN A 15 -12.295 -4.598 3.349 1.00 0.00 C ATOM 259 C ASN A 15 -12.506 -5.801 2.427 1.00 0.00 C ATOM 260 O ASN A 15 -13.417 -5.801 1.600 1.00 0.00 O ATOM 261 CB ASN A 15 -11.157 -3.754 2.772 1.00 0.00 C ATOM 262 CG ASN A 15 -11.704 -2.553 1.996 1.00 0.00 C ATOM 263 OD1 ASN A 15 -11.347 -1.375 2.501 1.00 0.00 O flip ATOM 264 ND2 ASN A 15 -12.404 -2.687 1.005 1.00 0.00 N flip ATOM 0 H ASN A 15 -10.976 -5.185 4.867 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.197 -3.990 3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.512 -3.407 3.579 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.542 -4.368 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.641 -3.621 0.670 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -12.752 -1.865 0.512 1.00 0.00 H new ATOM 271 N GLY A 16 -11.650 -6.796 2.601 1.00 0.00 N ATOM 272 CA GLY A 16 -11.730 -8.002 1.794 1.00 0.00 C ATOM 273 C GLY A 16 -10.681 -7.988 0.680 1.00 0.00 C ATOM 274 O GLY A 16 -11.006 -8.210 -0.486 1.00 0.00 O ATOM 0 H GLY A 16 -10.897 -6.792 3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.582 -8.877 2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.726 -8.087 1.359 1.00 0.00 H new ATOM 278 N MET A 17 -9.446 -7.728 1.079 1.00 0.00 N ATOM 279 CA MET A 17 -8.347 -7.683 0.130 1.00 0.00 C ATOM 280 C MET A 17 -7.303 -8.756 0.446 1.00 0.00 C ATOM 281 O MET A 17 -6.715 -9.342 -0.462 1.00 0.00 O ATOM 282 CB MET A 17 -7.689 -6.302 0.173 1.00 0.00 C ATOM 283 CG MET A 17 -7.336 -5.817 -1.234 1.00 0.00 C ATOM 284 SD MET A 17 -8.801 -5.218 -2.059 1.00 0.00 S ATOM 285 CE MET A 17 -9.205 -6.647 -3.049 1.00 0.00 C ATOM 0 H MET A 17 -9.181 -7.546 2.047 1.00 0.00 H new ATOM 0 HA MET A 17 -8.746 -7.874 -0.866 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.363 -5.589 0.648 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.787 -6.344 0.784 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.590 -5.024 -1.178 1.00 0.00 H new ATOM 0 HG3 MET A 17 -6.893 -6.631 -1.808 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.622 -6.323 -4.002 1.00 0.00 H new ATOM 0 HE2 MET A 17 -8.303 -7.232 -3.228 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.937 -7.260 -2.522 1.00 0.00 H new ATOM 295 N ALA A 18 -7.105 -8.981 1.737 1.00 0.00 N ATOM 296 CA ALA A 18 -6.143 -9.972 2.185 1.00 0.00 C ATOM 297 C ALA A 18 -6.579 -11.356 1.700 1.00 0.00 C ATOM 298 O ALA A 18 -7.768 -11.602 1.503 1.00 0.00 O ATOM 299 CB ALA A 18 -6.010 -9.903 3.708 1.00 0.00 C ATOM 0 H ALA A 18 -7.595 -8.493 2.487 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.159 -9.770 1.762 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.288 -10.647 4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.669 -8.909 3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.978 -10.104 4.167 1.00 0.00 H new ATOM 305 N GLY A 19 -5.595 -12.223 1.522 1.00 0.00 N ATOM 306 CA GLY A 19 -5.862 -13.576 1.064 1.00 0.00 C ATOM 307 C GLY A 19 -5.936 -13.634 -0.464 1.00 0.00 C ATOM 308 O GLY A 19 -6.345 -14.644 -1.032 1.00 0.00 O ATOM 0 H GLY A 19 -4.610 -12.015 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.078 -14.245 1.419 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.801 -13.930 1.491 1.00 0.00 H new ATOM 312 N TYR A 20 -5.532 -12.535 -1.085 1.00 0.00 N ATOM 313 CA TYR A 20 -5.546 -12.448 -2.535 1.00 0.00 C ATOM 314 C TYR A 20 -4.931 -13.698 -3.166 1.00 0.00 C ATOM 315 O TYR A 20 -4.461 -14.588 -2.459 1.00 0.00 O ATOM 316 CB TYR A 20 -4.686 -11.234 -2.893 1.00 0.00 C ATOM 317 CG TYR A 20 -5.159 -10.480 -4.138 1.00 0.00 C ATOM 318 CD1 TYR A 20 -6.479 -10.090 -4.247 1.00 0.00 C ATOM 319 CD2 TYR A 20 -4.268 -10.191 -5.150 1.00 0.00 C ATOM 320 CE1 TYR A 20 -6.925 -9.380 -5.418 1.00 0.00 C ATOM 321 CE2 TYR A 20 -4.714 -9.481 -6.321 1.00 0.00 C ATOM 322 CZ TYR A 20 -6.020 -9.111 -6.397 1.00 0.00 C ATOM 323 OH TYR A 20 -6.442 -8.440 -7.503 1.00 0.00 O ATOM 0 H TYR A 20 -5.193 -11.698 -0.610 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.568 -12.360 -2.904 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.676 -10.547 -2.047 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.659 -11.563 -3.049 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.177 -10.317 -3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.236 -10.497 -5.064 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -7.954 -9.068 -5.516 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.027 -9.248 -7.121 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.182 -7.844 -7.262 1.00 0.00 H new ATOM 333 N TYR A 21 -4.955 -13.726 -4.491 1.00 0.00 N ATOM 334 CA TYR A 21 -4.406 -14.853 -5.225 1.00 0.00 C ATOM 335 C TYR A 21 -3.166 -15.414 -4.524 1.00 0.00 C ATOM 336 O TYR A 21 -3.113 -16.599 -4.202 1.00 0.00 O ATOM 337 CB TYR A 21 -3.997 -14.305 -6.595 1.00 0.00 C ATOM 338 CG TYR A 21 -4.826 -14.856 -7.757 1.00 0.00 C ATOM 339 CD1 TYR A 21 -4.689 -16.175 -8.138 1.00 0.00 C ATOM 340 CD2 TYR A 21 -5.711 -14.033 -8.424 1.00 0.00 C ATOM 341 CE1 TYR A 21 -5.470 -16.693 -9.232 1.00 0.00 C ATOM 342 CE2 TYR A 21 -6.490 -14.550 -9.518 1.00 0.00 C ATOM 343 CZ TYR A 21 -6.331 -15.855 -9.868 1.00 0.00 C ATOM 344 OH TYR A 21 -7.069 -16.344 -10.902 1.00 0.00 O ATOM 0 H TYR A 21 -5.346 -12.986 -5.075 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.139 -15.657 -5.297 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.085 -13.219 -6.582 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.946 -14.537 -6.769 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.996 -16.819 -7.616 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.819 -13.001 -8.125 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -5.374 -17.724 -9.540 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.185 -13.916 -10.049 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.641 -15.634 -11.260 1.00 0.00 H new ATOM 354 N GLY A 22 -2.200 -14.533 -4.306 1.00 0.00 N ATOM 355 CA GLY A 22 -0.965 -14.925 -3.648 1.00 0.00 C ATOM 356 C GLY A 22 -0.722 -14.086 -2.392 1.00 0.00 C ATOM 357 O GLY A 22 -0.742 -14.608 -1.279 1.00 0.00 O ATOM 0 H GLY A 22 -2.248 -13.550 -4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.010 -15.981 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.128 -14.806 -4.337 1.00 0.00 H new ATOM 361 N VAL A 23 -0.500 -12.798 -2.613 1.00 0.00 N ATOM 362 CA VAL A 23 -0.255 -11.882 -1.513 1.00 0.00 C ATOM 363 C VAL A 23 -1.267 -12.148 -0.397 1.00 0.00 C ATOM 364 O VAL A 23 -2.435 -11.785 -0.515 1.00 0.00 O ATOM 365 CB VAL A 23 -0.288 -10.438 -2.018 1.00 0.00 C ATOM 366 CG1 VAL A 23 -1.586 -10.151 -2.775 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.096 -9.450 -0.866 1.00 0.00 C ATOM 0 H VAL A 23 -0.485 -12.368 -3.538 1.00 0.00 H new ATOM 0 HA VAL A 23 0.739 -12.044 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 23 0.541 -10.308 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.583 -9.118 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.664 -10.822 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.436 -10.308 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.124 -8.431 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.894 -9.583 -0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.867 -9.631 -0.388 1.00 0.00 H new ATOM 377 N SER A 24 -0.779 -12.781 0.661 1.00 0.00 N ATOM 378 CA SER A 24 -1.627 -13.100 1.797 1.00 0.00 C ATOM 379 C SER A 24 -1.597 -11.955 2.811 1.00 0.00 C ATOM 380 O SER A 24 -0.697 -11.117 2.779 1.00 0.00 O ATOM 381 CB SER A 24 -1.188 -14.407 2.461 1.00 0.00 C ATOM 382 OG SER A 24 0.182 -14.375 2.851 1.00 0.00 O ATOM 0 H SER A 24 0.191 -13.081 0.755 1.00 0.00 H new ATOM 0 HA SER A 24 -2.647 -13.231 1.436 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.810 -14.595 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.349 -15.236 1.771 1.00 0.00 H new ATOM 0 HG SER A 24 0.422 -15.227 3.272 1.00 0.00 H new ATOM 388 N LEU A 25 -2.593 -11.955 3.685 1.00 0.00 N ATOM 389 CA LEU A 25 -2.692 -10.925 4.706 1.00 0.00 C ATOM 390 C LEU A 25 -1.309 -10.683 5.316 1.00 0.00 C ATOM 391 O LEU A 25 -0.897 -9.538 5.491 1.00 0.00 O ATOM 392 CB LEU A 25 -3.761 -11.293 5.736 1.00 0.00 C ATOM 393 CG LEU A 25 -3.797 -10.436 7.002 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.908 -8.950 6.656 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.916 -10.891 7.942 1.00 0.00 C ATOM 0 H LEU A 25 -3.338 -12.651 3.707 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.017 -9.982 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.737 -11.234 5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.612 -12.332 6.029 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.855 -10.573 7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.932 -8.363 7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.048 -8.651 6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.823 -8.776 6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.919 -10.265 8.834 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.876 -10.803 7.434 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.751 -11.930 8.228 1.00 0.00 H new ATOM 407 N ALA A 26 -0.631 -11.780 5.620 1.00 0.00 N ATOM 408 CA ALA A 26 0.695 -11.701 6.207 1.00 0.00 C ATOM 409 C ALA A 26 1.626 -10.950 5.252 1.00 0.00 C ATOM 410 O ALA A 26 2.420 -10.115 5.682 1.00 0.00 O ATOM 411 CB ALA A 26 1.199 -13.111 6.523 1.00 0.00 C ATOM 0 H ALA A 26 -0.976 -12.728 5.471 1.00 0.00 H new ATOM 0 HA ALA A 26 0.667 -11.147 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.194 -13.051 6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.519 -13.591 7.226 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.243 -13.696 5.604 1.00 0.00 H new ATOM 417 N ASP A 27 1.497 -11.274 3.974 1.00 0.00 N ATOM 418 CA ASP A 27 2.316 -10.640 2.955 1.00 0.00 C ATOM 419 C ASP A 27 2.006 -9.143 2.915 1.00 0.00 C ATOM 420 O ASP A 27 2.907 -8.322 2.752 1.00 0.00 O ATOM 421 CB ASP A 27 2.021 -11.222 1.571 1.00 0.00 C ATOM 422 CG ASP A 27 3.044 -10.869 0.489 1.00 0.00 C ATOM 423 OD1 ASP A 27 3.654 -9.785 0.617 1.00 0.00 O ATOM 424 OD2 ASP A 27 3.193 -11.690 -0.441 1.00 0.00 O ATOM 0 H ASP A 27 0.838 -11.967 3.621 1.00 0.00 H new ATOM 0 HA ASP A 27 3.362 -10.817 3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.963 -12.307 1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.039 -10.874 1.249 1.00 0.00 H new ATOM 429 N TRP A 28 0.726 -8.832 3.065 1.00 0.00 N ATOM 430 CA TRP A 28 0.285 -7.449 3.047 1.00 0.00 C ATOM 431 C TRP A 28 0.875 -6.749 4.274 1.00 0.00 C ATOM 432 O TRP A 28 1.617 -5.777 4.142 1.00 0.00 O ATOM 433 CB TRP A 28 -1.241 -7.359 2.985 1.00 0.00 C ATOM 434 CG TRP A 28 -1.825 -7.659 1.603 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.448 -8.773 1.195 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.817 -6.781 0.458 1.00 0.00 C ATOM 437 NE1 TRP A 28 -2.840 -8.678 -0.125 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.444 -7.429 -0.588 1.00 0.00 C ATOM 439 CE3 TRP A 28 -1.297 -5.484 0.309 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.609 -6.858 -1.855 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -1.470 -4.926 -0.963 1.00 0.00 C ATOM 442 CH2 TRP A 28 -2.099 -5.565 -2.026 1.00 0.00 C ATOM 0 H TRP A 28 -0.019 -9.515 3.200 1.00 0.00 H new ATOM 0 HA TRP A 28 0.642 -6.943 2.150 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.666 -8.056 3.707 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.549 -6.359 3.289 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.622 -9.636 1.820 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.330 -9.393 -0.662 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.803 -4.959 1.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.103 -7.386 -2.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.088 -3.930 -1.131 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.194 -5.066 -2.979 1.00 0.00 H new ATOM 453 N VAL A 29 0.521 -7.271 5.439 1.00 0.00 N ATOM 454 CA VAL A 29 1.007 -6.709 6.689 1.00 0.00 C ATOM 455 C VAL A 29 2.509 -6.445 6.575 1.00 0.00 C ATOM 456 O VAL A 29 2.962 -5.319 6.773 1.00 0.00 O ATOM 457 CB VAL A 29 0.648 -7.634 7.853 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.447 -7.272 9.107 1.00 0.00 C ATOM 459 CG2 VAL A 29 -0.856 -7.606 8.133 1.00 0.00 C ATOM 0 H VAL A 29 -0.096 -8.076 5.544 1.00 0.00 H new ATOM 0 HA VAL A 29 0.524 -5.753 6.891 1.00 0.00 H new ATOM 0 HB VAL A 29 0.916 -8.651 7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.173 -7.945 9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.513 -7.368 8.900 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.225 -6.245 9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.084 -8.272 8.965 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.160 -6.591 8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.397 -7.935 7.246 1.00 0.00 H new ATOM 469 N CYS A 30 3.241 -7.503 6.257 1.00 0.00 N ATOM 470 CA CYS A 30 4.683 -7.401 6.114 1.00 0.00 C ATOM 471 C CYS A 30 4.988 -6.344 5.050 1.00 0.00 C ATOM 472 O CYS A 30 5.816 -5.462 5.265 1.00 0.00 O ATOM 473 CB CYS A 30 5.316 -8.752 5.775 1.00 0.00 C ATOM 474 SG CYS A 30 5.228 -9.218 4.008 1.00 0.00 S ATOM 0 H CYS A 30 2.862 -8.436 6.094 1.00 0.00 H new ATOM 0 HA CYS A 30 5.123 -7.096 7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.362 -8.734 6.080 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.825 -9.526 6.365 1.00 0.00 H new ATOM 479 N LEU A 31 4.299 -6.470 3.925 1.00 0.00 N ATOM 480 CA LEU A 31 4.485 -5.538 2.826 1.00 0.00 C ATOM 481 C LEU A 31 4.384 -4.106 3.356 1.00 0.00 C ATOM 482 O LEU A 31 5.247 -3.275 3.077 1.00 0.00 O ATOM 483 CB LEU A 31 3.505 -5.845 1.692 1.00 0.00 C ATOM 484 CG LEU A 31 3.574 -4.916 0.476 1.00 0.00 C ATOM 485 CD1 LEU A 31 2.803 -3.621 0.732 1.00 0.00 C ATOM 486 CD2 LEU A 31 5.025 -4.650 0.072 1.00 0.00 C ATOM 0 H LEU A 31 3.611 -7.203 3.751 1.00 0.00 H new ATOM 0 HA LEU A 31 5.480 -5.650 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.679 -6.867 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.492 -5.810 2.094 1.00 0.00 H new ATOM 0 HG LEU A 31 3.093 -5.416 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.868 -2.979 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.758 -3.854 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.233 -3.105 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.046 -3.988 -0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.553 -4.180 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.511 -5.592 -0.180 1.00 0.00 H new ATOM 498 N ALA A 32 3.322 -3.862 4.109 1.00 0.00 N ATOM 499 CA ALA A 32 3.096 -2.545 4.679 1.00 0.00 C ATOM 500 C ALA A 32 4.032 -2.343 5.873 1.00 0.00 C ATOM 501 O ALA A 32 4.289 -1.212 6.281 1.00 0.00 O ATOM 502 CB ALA A 32 1.622 -2.400 5.063 1.00 0.00 C ATOM 0 H ALA A 32 2.608 -4.554 4.338 1.00 0.00 H new ATOM 0 HA ALA A 32 3.320 -1.768 3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.453 -1.412 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.001 -2.522 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.360 -3.162 5.797 1.00 0.00 H new ATOM 508 N GLN A 33 4.515 -3.459 6.400 1.00 0.00 N ATOM 509 CA GLN A 33 5.416 -3.420 7.538 1.00 0.00 C ATOM 510 C GLN A 33 6.747 -2.778 7.141 1.00 0.00 C ATOM 511 O GLN A 33 7.201 -1.833 7.783 1.00 0.00 O ATOM 512 CB GLN A 33 5.635 -4.821 8.113 1.00 0.00 C ATOM 513 CG GLN A 33 6.207 -4.749 9.530 1.00 0.00 C ATOM 514 CD GLN A 33 7.689 -5.132 9.542 1.00 0.00 C ATOM 515 OE1 GLN A 33 8.097 -6.152 9.011 1.00 0.00 O ATOM 516 NE2 GLN A 33 8.468 -4.262 10.177 1.00 0.00 N ATOM 0 H GLN A 33 4.299 -4.396 6.059 1.00 0.00 H new ATOM 0 HA GLN A 33 4.958 -2.810 8.317 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.690 -5.365 8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.316 -5.379 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.085 -3.740 9.925 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.649 -5.418 10.186 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.062 -3.427 10.600 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.472 -4.429 10.241 1.00 0.00 H new ATOM 525 N HIS A 34 7.334 -3.316 6.082 1.00 0.00 N ATOM 526 CA HIS A 34 8.603 -2.807 5.590 1.00 0.00 C ATOM 527 C HIS A 34 8.473 -1.313 5.286 1.00 0.00 C ATOM 528 O HIS A 34 9.472 -0.596 5.243 1.00 0.00 O ATOM 529 CB HIS A 34 9.085 -3.618 4.386 1.00 0.00 C ATOM 530 CG HIS A 34 10.574 -3.542 4.149 1.00 0.00 C ATOM 531 ND1 HIS A 34 11.417 -4.628 4.314 1.00 0.00 N ATOM 532 CD2 HIS A 34 11.362 -2.498 3.761 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.653 -4.244 4.032 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.617 -2.924 3.690 1.00 0.00 N ATOM 0 H HIS A 34 6.954 -4.100 5.551 1.00 0.00 H new ATOM 0 HA HIS A 34 9.367 -2.921 6.359 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.803 -4.661 4.528 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.567 -3.266 3.494 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.022 -1.495 3.548 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.535 -4.867 4.067 1.00 0.00 H new ATOM 0 HE2 HIS A 34 13.422 -2.357 3.423 1.00 0.00 H new ATOM 543 N GLU A 35 7.236 -0.889 5.081 1.00 0.00 N ATOM 544 CA GLU A 35 6.963 0.506 4.781 1.00 0.00 C ATOM 545 C GLU A 35 6.927 1.329 6.071 1.00 0.00 C ATOM 546 O GLU A 35 7.742 2.231 6.258 1.00 0.00 O ATOM 547 CB GLU A 35 5.655 0.653 4.001 1.00 0.00 C ATOM 548 CG GLU A 35 5.615 -0.307 2.811 1.00 0.00 C ATOM 549 CD GLU A 35 5.976 0.416 1.511 1.00 0.00 C ATOM 550 OE1 GLU A 35 5.658 1.621 1.426 1.00 0.00 O ATOM 551 OE2 GLU A 35 6.560 -0.254 0.633 1.00 0.00 O ATOM 0 H GLU A 35 6.410 -1.487 5.117 1.00 0.00 H new ATOM 0 HA GLU A 35 7.768 0.887 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.810 0.455 4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.551 1.679 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.310 -1.129 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.620 -0.743 2.724 1.00 0.00 H new ATOM 558 N SER A 36 5.975 0.988 6.927 1.00 0.00 N ATOM 559 CA SER A 36 5.823 1.684 8.193 1.00 0.00 C ATOM 560 C SER A 36 4.397 1.510 8.719 1.00 0.00 C ATOM 561 O SER A 36 3.603 2.450 8.696 1.00 0.00 O ATOM 562 CB SER A 36 6.156 3.170 8.049 1.00 0.00 C ATOM 563 OG SER A 36 7.510 3.450 8.401 1.00 0.00 O ATOM 0 H SER A 36 5.301 0.239 6.769 1.00 0.00 H new ATOM 0 HA SER A 36 6.523 1.249 8.907 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.976 3.484 7.021 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.488 3.754 8.682 1.00 0.00 H new ATOM 0 HG SER A 36 8.112 2.968 7.796 1.00 0.00 H new ATOM 569 N ASN A 37 4.113 0.300 9.178 1.00 0.00 N ATOM 570 CA ASN A 37 2.795 -0.010 9.707 1.00 0.00 C ATOM 571 C ASN A 37 2.620 0.680 11.061 1.00 0.00 C ATOM 572 O ASN A 37 3.215 0.265 12.055 1.00 0.00 O ATOM 573 CB ASN A 37 2.627 -1.516 9.919 1.00 0.00 C ATOM 574 CG ASN A 37 3.378 -1.982 11.167 1.00 0.00 C ATOM 575 OD1 ASN A 37 2.820 -2.118 12.244 1.00 0.00 O ATOM 576 ND2 ASN A 37 4.671 -2.217 10.964 1.00 0.00 N ATOM 0 H ASN A 37 4.773 -0.478 9.195 1.00 0.00 H new ATOM 0 HA ASN A 37 2.052 0.338 8.989 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.568 -1.757 10.016 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.997 -2.053 9.046 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.260 -2.531 11.736 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.074 -2.083 10.037 1.00 0.00 H new ATOM 583 N TYR A 38 1.801 1.721 11.058 1.00 0.00 N ATOM 584 CA TYR A 38 1.539 2.473 12.273 1.00 0.00 C ATOM 585 C TYR A 38 0.665 3.695 11.985 1.00 0.00 C ATOM 586 O TYR A 38 -0.154 4.087 12.816 1.00 0.00 O ATOM 587 CB TYR A 38 2.904 2.944 12.779 1.00 0.00 C ATOM 588 CG TYR A 38 3.325 4.315 12.245 1.00 0.00 C ATOM 589 CD1 TYR A 38 4.002 4.411 11.047 1.00 0.00 C ATOM 590 CD2 TYR A 38 3.028 5.455 12.963 1.00 0.00 C ATOM 591 CE1 TYR A 38 4.399 5.701 10.544 1.00 0.00 C ATOM 592 CE2 TYR A 38 3.425 6.746 12.460 1.00 0.00 C ATOM 593 CZ TYR A 38 4.091 6.804 11.276 1.00 0.00 C ATOM 594 OH TYR A 38 4.465 8.023 10.802 1.00 0.00 O ATOM 0 H TYR A 38 1.309 2.062 10.232 1.00 0.00 H new ATOM 0 HA TYR A 38 1.013 1.855 13.001 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.884 2.980 13.868 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.658 2.209 12.498 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.235 3.518 10.486 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.498 5.380 13.901 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.929 5.790 9.607 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.199 7.647 13.011 1.00 0.00 H new ATOM 0 HH TYR A 38 4.178 8.720 11.428 1.00 0.00 H new ATOM 604 N ASN A 39 0.868 4.263 10.806 1.00 0.00 N ATOM 605 CA ASN A 39 0.109 5.433 10.397 1.00 0.00 C ATOM 606 C ASN A 39 -0.033 5.438 8.874 1.00 0.00 C ATOM 607 O ASN A 39 0.726 4.769 8.174 1.00 0.00 O ATOM 608 CB ASN A 39 0.821 6.723 10.810 1.00 0.00 C ATOM 609 CG ASN A 39 0.490 7.093 12.257 1.00 0.00 C ATOM 610 OD1 ASN A 39 0.645 6.307 13.177 1.00 0.00 O ATOM 611 ND2 ASN A 39 0.027 8.331 12.407 1.00 0.00 N ATOM 0 H ASN A 39 1.548 3.935 10.120 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.866 5.388 10.881 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.898 6.599 10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.524 7.535 10.146 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.222 8.673 13.335 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -0.079 8.938 11.594 1.00 0.00 H new ATOM 618 N THR A 40 -1.012 6.198 8.406 1.00 0.00 N ATOM 619 CA THR A 40 -1.264 6.298 6.979 1.00 0.00 C ATOM 620 C THR A 40 -1.115 7.747 6.511 1.00 0.00 C ATOM 621 O THR A 40 -1.945 8.248 5.752 1.00 0.00 O ATOM 622 CB THR A 40 -2.647 5.709 6.700 1.00 0.00 C ATOM 623 OG1 THR A 40 -2.970 6.181 5.394 1.00 0.00 O ATOM 624 CG2 THR A 40 -3.732 6.313 7.592 1.00 0.00 C ATOM 0 H THR A 40 -1.640 6.750 8.990 1.00 0.00 H new ATOM 0 HA THR A 40 -0.531 5.728 6.408 1.00 0.00 H new ATOM 0 HB THR A 40 -2.616 4.629 6.846 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.176 7.138 5.434 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.694 5.860 7.353 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.491 6.122 8.638 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.785 7.388 7.422 1.00 0.00 H new ATOM 632 N ARG A 41 -0.052 8.382 6.983 1.00 0.00 N ATOM 633 CA ARG A 41 0.216 9.764 6.623 1.00 0.00 C ATOM 634 C ARG A 41 1.506 9.859 5.806 1.00 0.00 C ATOM 635 O ARG A 41 1.721 10.836 5.090 1.00 0.00 O ATOM 636 CB ARG A 41 0.344 10.643 7.869 1.00 0.00 C ATOM 637 CG ARG A 41 -0.268 12.024 7.630 1.00 0.00 C ATOM 638 CD ARG A 41 -0.434 12.785 8.948 1.00 0.00 C ATOM 639 NE ARG A 41 -0.697 14.216 8.677 1.00 0.00 N ATOM 640 CZ ARG A 41 -1.050 15.106 9.613 1.00 0.00 C ATOM 641 NH1 ARG A 41 -1.187 14.718 10.889 1.00 0.00 N ATOM 642 NH2 ARG A 41 -1.269 16.384 9.275 1.00 0.00 N ATOM 0 H ARG A 41 0.634 7.965 7.612 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.624 10.120 6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.153 10.161 8.711 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.395 10.749 8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.367 12.595 6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.237 11.917 7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.256 12.358 9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.466 12.681 9.554 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.603 14.545 7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.022 13.745 11.147 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.456 15.396 11.602 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.167 16.679 8.304 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.538 17.061 9.989 1.00 0.00 H new ATOM 656 N ALA A 42 2.331 8.831 5.940 1.00 0.00 N ATOM 657 CA ALA A 42 3.593 8.786 5.222 1.00 0.00 C ATOM 658 C ALA A 42 3.395 9.349 3.813 1.00 0.00 C ATOM 659 O ALA A 42 2.789 8.701 2.961 1.00 0.00 O ATOM 660 CB ALA A 42 4.122 7.351 5.207 1.00 0.00 C ATOM 0 H ALA A 42 2.150 8.023 6.535 1.00 0.00 H new ATOM 0 HA ALA A 42 4.340 9.403 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.069 7.318 4.668 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.275 7.009 6.231 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.400 6.702 4.712 1.00 0.00 H new ATOM 666 N THR A 43 3.917 10.549 3.611 1.00 0.00 N ATOM 667 CA THR A 43 3.804 11.206 2.320 1.00 0.00 C ATOM 668 C THR A 43 5.124 11.891 1.953 1.00 0.00 C ATOM 669 O THR A 43 5.840 12.375 2.828 1.00 0.00 O ATOM 670 CB THR A 43 2.617 12.170 2.381 1.00 0.00 C ATOM 671 OG1 THR A 43 2.727 12.776 3.666 1.00 0.00 O ATOM 672 CG2 THR A 43 1.273 11.440 2.427 1.00 0.00 C ATOM 0 H THR A 43 4.419 11.084 4.319 1.00 0.00 H new ATOM 0 HA THR A 43 3.615 10.485 1.525 1.00 0.00 H new ATOM 0 HB THR A 43 2.642 12.832 1.515 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.103 12.344 4.286 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.464 12.169 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.162 10.826 1.533 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.235 10.804 3.311 1.00 0.00 H new ATOM 680 N ASN A 44 5.403 11.910 0.659 1.00 0.00 N ATOM 681 CA ASN A 44 6.623 12.527 0.166 1.00 0.00 C ATOM 682 C ASN A 44 6.389 13.044 -1.256 1.00 0.00 C ATOM 683 O ASN A 44 6.539 12.299 -2.223 1.00 0.00 O ATOM 684 CB ASN A 44 7.770 11.517 0.118 1.00 0.00 C ATOM 685 CG ASN A 44 8.692 11.678 1.329 1.00 0.00 C ATOM 686 OD1 ASN A 44 8.342 11.364 2.454 1.00 0.00 O ATOM 687 ND2 ASN A 44 9.887 12.184 1.035 1.00 0.00 N ATOM 0 H ASN A 44 4.806 11.508 -0.064 1.00 0.00 H new ATOM 0 HA ASN A 44 6.887 13.341 0.842 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.367 10.504 0.095 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.342 11.654 -0.800 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.575 12.330 1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.115 12.426 0.071 1.00 0.00 H new ATOM 694 N TYR A 45 6.026 14.316 -1.336 1.00 0.00 N ATOM 695 CA TYR A 45 5.770 14.940 -2.623 1.00 0.00 C ATOM 696 C TYR A 45 7.034 15.606 -3.170 1.00 0.00 C ATOM 697 O TYR A 45 7.982 15.853 -2.426 1.00 0.00 O ATOM 698 CB TYR A 45 4.712 16.014 -2.367 1.00 0.00 C ATOM 699 CG TYR A 45 5.201 17.175 -1.497 1.00 0.00 C ATOM 700 CD1 TYR A 45 5.841 18.250 -2.079 1.00 0.00 C ATOM 701 CD2 TYR A 45 5.001 17.146 -0.132 1.00 0.00 C ATOM 702 CE1 TYR A 45 6.300 19.342 -1.260 1.00 0.00 C ATOM 703 CE2 TYR A 45 5.461 18.237 0.686 1.00 0.00 C ATOM 704 CZ TYR A 45 6.088 19.282 0.082 1.00 0.00 C ATOM 705 OH TYR A 45 6.523 20.313 0.855 1.00 0.00 O ATOM 0 H TYR A 45 5.903 14.931 -0.531 1.00 0.00 H new ATOM 0 HA TYR A 45 5.445 14.198 -3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.371 16.409 -3.324 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.849 15.552 -1.887 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.998 18.272 -3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.499 16.305 0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.802 20.190 -1.702 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.312 18.226 1.756 1.00 0.00 H new ATOM 0 HH TYR A 45 6.302 20.134 1.793 1.00 0.00 H new ATOM 715 N ASN A 46 7.007 15.878 -4.467 1.00 0.00 N ATOM 716 CA ASN A 46 8.140 16.511 -5.122 1.00 0.00 C ATOM 717 C ASN A 46 7.687 17.092 -6.463 1.00 0.00 C ATOM 718 O ASN A 46 7.483 16.354 -7.425 1.00 0.00 O ATOM 719 CB ASN A 46 9.253 15.498 -5.396 1.00 0.00 C ATOM 720 CG ASN A 46 9.858 14.981 -4.090 1.00 0.00 C ATOM 721 OD1 ASN A 46 9.246 13.906 -3.600 1.00 0.00 O flip ATOM 722 ND2 ASN A 46 10.816 15.520 -3.562 1.00 0.00 N flip ATOM 0 H ASN A 46 6.219 15.672 -5.081 1.00 0.00 H new ATOM 0 HA ASN A 46 8.519 17.293 -4.463 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.855 14.663 -5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 46 10.031 15.962 -6.002 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.239 16.343 -3.991 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.194 15.148 -2.691 1.00 0.00 H new ATOM 729 N ARG A 47 7.546 18.409 -6.484 1.00 0.00 N ATOM 730 CA ARG A 47 7.122 19.098 -7.690 1.00 0.00 C ATOM 731 C ARG A 47 8.287 19.203 -8.678 1.00 0.00 C ATOM 732 O ARG A 47 8.077 19.232 -9.889 1.00 0.00 O ATOM 733 CB ARG A 47 6.606 20.502 -7.371 1.00 0.00 C ATOM 734 CG ARG A 47 5.437 20.877 -8.285 1.00 0.00 C ATOM 735 CD ARG A 47 4.601 22.003 -7.673 1.00 0.00 C ATOM 736 NE ARG A 47 3.396 22.243 -8.498 1.00 0.00 N ATOM 737 CZ ARG A 47 2.278 22.825 -8.041 1.00 0.00 C ATOM 738 NH1 ARG A 47 2.204 23.227 -6.766 1.00 0.00 N ATOM 739 NH2 ARG A 47 1.232 23.003 -8.862 1.00 0.00 N ATOM 0 H ARG A 47 7.718 19.018 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 47 6.313 18.519 -8.135 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.288 20.548 -6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.412 21.226 -7.490 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.817 21.189 -9.258 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.808 20.003 -8.454 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.309 21.740 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.195 22.915 -7.608 1.00 0.00 H new ATOM 0 HE ARG A 47 3.417 21.948 -9.474 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.999 23.091 -6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.353 23.670 -6.419 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.288 22.696 -9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.381 23.446 -8.515 1.00 0.00 H new ATOM 753 N GLY A 48 9.488 19.258 -8.123 1.00 0.00 N ATOM 754 CA GLY A 48 10.685 19.358 -8.940 1.00 0.00 C ATOM 755 C GLY A 48 10.509 18.616 -10.266 1.00 0.00 C ATOM 756 O GLY A 48 10.997 19.066 -11.302 1.00 0.00 O ATOM 0 H GLY A 48 9.658 19.235 -7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.911 20.407 -9.133 1.00 0.00 H new ATOM 0 HA3 GLY A 48 11.535 18.944 -8.398 1.00 0.00 H new ATOM 760 N ASP A 49 9.810 17.494 -10.191 1.00 0.00 N ATOM 761 CA ASP A 49 9.563 16.685 -11.373 1.00 0.00 C ATOM 762 C ASP A 49 8.121 16.176 -11.345 1.00 0.00 C ATOM 763 O ASP A 49 7.843 15.061 -11.782 1.00 0.00 O ATOM 764 CB ASP A 49 10.492 15.471 -11.413 1.00 0.00 C ATOM 765 CG ASP A 49 10.824 14.956 -12.816 1.00 0.00 C ATOM 766 OD1 ASP A 49 10.698 15.764 -13.760 1.00 0.00 O ATOM 767 OD2 ASP A 49 11.193 13.766 -12.910 1.00 0.00 O ATOM 0 H ASP A 49 9.406 17.125 -9.330 1.00 0.00 H new ATOM 0 HA ASP A 49 9.743 17.306 -12.250 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.423 15.728 -10.907 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.033 14.662 -10.845 1.00 0.00 H new ATOM 772 N GLN A 50 7.240 17.018 -10.825 1.00 0.00 N ATOM 773 CA GLN A 50 5.832 16.669 -10.734 1.00 0.00 C ATOM 774 C GLN A 50 5.675 15.173 -10.451 1.00 0.00 C ATOM 775 O GLN A 50 5.006 14.462 -11.200 1.00 0.00 O ATOM 776 CB GLN A 50 5.084 17.067 -12.008 1.00 0.00 C ATOM 777 CG GLN A 50 3.626 17.412 -11.702 1.00 0.00 C ATOM 778 CD GLN A 50 3.532 18.637 -10.791 1.00 0.00 C ATOM 779 OE1 GLN A 50 3.603 18.547 -9.577 1.00 0.00 O ATOM 780 NE2 GLN A 50 3.368 19.785 -11.443 1.00 0.00 N ATOM 0 H GLN A 50 7.474 17.942 -10.462 1.00 0.00 H new ATOM 0 HA GLN A 50 5.392 17.225 -9.906 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.575 17.924 -12.470 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.125 16.250 -12.728 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.091 17.604 -12.632 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.140 16.561 -11.225 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.317 19.790 -12.462 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.294 20.660 -10.924 1.00 0.00 H new ATOM 789 N SER A 51 6.304 14.739 -9.368 1.00 0.00 N ATOM 790 CA SER A 51 6.241 13.341 -8.977 1.00 0.00 C ATOM 791 C SER A 51 6.202 13.225 -7.452 1.00 0.00 C ATOM 792 O SER A 51 7.194 13.501 -6.780 1.00 0.00 O ATOM 793 CB SER A 51 7.430 12.559 -9.538 1.00 0.00 C ATOM 794 OG SER A 51 8.670 13.016 -9.004 1.00 0.00 O ATOM 0 H SER A 51 6.859 15.331 -8.750 1.00 0.00 H new ATOM 0 HA SER A 51 5.329 12.911 -9.391 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.306 11.500 -9.312 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.446 12.653 -10.624 1.00 0.00 H new ATOM 0 HG SER A 51 8.547 13.276 -8.067 1.00 0.00 H new ATOM 800 N THR A 52 5.045 12.817 -6.951 1.00 0.00 N ATOM 801 CA THR A 52 4.864 12.662 -5.518 1.00 0.00 C ATOM 802 C THR A 52 4.851 11.179 -5.139 1.00 0.00 C ATOM 803 O THR A 52 4.693 10.317 -6.001 1.00 0.00 O ATOM 804 CB THR A 52 3.584 13.402 -5.121 1.00 0.00 C ATOM 805 OG1 THR A 52 4.019 14.732 -4.858 1.00 0.00 O ATOM 806 CG2 THR A 52 3.023 12.921 -3.781 1.00 0.00 C ATOM 0 H THR A 52 4.224 12.589 -7.512 1.00 0.00 H new ATOM 0 HA THR A 52 5.695 13.099 -4.965 1.00 0.00 H new ATOM 0 HB THR A 52 2.832 13.270 -5.899 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.254 15.343 -4.910 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.116 13.477 -3.546 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.791 11.858 -3.844 1.00 0.00 H new ATOM 0 HG23 THR A 52 3.763 13.085 -2.997 1.00 0.00 H new ATOM 814 N ASP A 53 5.020 10.930 -3.849 1.00 0.00 N ATOM 815 CA ASP A 53 5.030 9.567 -3.346 1.00 0.00 C ATOM 816 C ASP A 53 4.547 9.561 -1.894 1.00 0.00 C ATOM 817 O ASP A 53 5.206 10.115 -1.016 1.00 0.00 O ATOM 818 CB ASP A 53 6.442 8.979 -3.378 1.00 0.00 C ATOM 819 CG ASP A 53 6.639 7.825 -4.364 1.00 0.00 C ATOM 820 OD1 ASP A 53 6.071 6.746 -4.096 1.00 0.00 O ATOM 821 OD2 ASP A 53 7.356 8.050 -5.364 1.00 0.00 O ATOM 0 H ASP A 53 5.151 11.649 -3.137 1.00 0.00 H new ATOM 0 HA ASP A 53 4.376 8.968 -3.980 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.145 9.774 -3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.697 8.630 -2.377 1.00 0.00 H new ATOM 826 N TYR A 54 3.403 8.927 -1.687 1.00 0.00 N ATOM 827 CA TYR A 54 2.824 8.841 -0.356 1.00 0.00 C ATOM 828 C TYR A 54 1.972 7.579 -0.210 1.00 0.00 C ATOM 829 O TYR A 54 1.800 6.826 -1.168 1.00 0.00 O ATOM 830 CB TYR A 54 1.926 10.070 -0.207 1.00 0.00 C ATOM 831 CG TYR A 54 1.139 10.423 -1.471 1.00 0.00 C ATOM 832 CD1 TYR A 54 0.535 9.425 -2.210 1.00 0.00 C ATOM 833 CD2 TYR A 54 1.033 11.739 -1.873 1.00 0.00 C ATOM 834 CE1 TYR A 54 -0.205 9.757 -3.399 1.00 0.00 C ATOM 835 CE2 TYR A 54 0.293 12.071 -3.063 1.00 0.00 C ATOM 836 CZ TYR A 54 -0.290 11.064 -3.766 1.00 0.00 C ATOM 837 OH TYR A 54 -0.988 11.377 -4.890 1.00 0.00 O ATOM 0 H TYR A 54 2.861 8.467 -2.418 1.00 0.00 H new ATOM 0 HA TYR A 54 3.606 8.801 0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.224 9.898 0.609 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.541 10.924 0.076 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.618 8.395 -1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.505 12.520 -1.295 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.682 8.986 -3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.203 13.097 -3.389 1.00 0.00 H new ATOM 0 HH TYR A 54 -1.465 10.583 -5.211 1.00 0.00 H new ATOM 847 N GLY A 55 1.460 7.386 0.997 1.00 0.00 N ATOM 848 CA GLY A 55 0.629 6.228 1.282 1.00 0.00 C ATOM 849 C GLY A 55 1.402 5.185 2.093 1.00 0.00 C ATOM 850 O GLY A 55 2.631 5.155 2.061 1.00 0.00 O ATOM 0 H GLY A 55 1.605 8.012 1.789 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.258 6.539 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.284 5.785 0.348 1.00 0.00 H new ATOM 854 N ILE A 56 0.649 4.357 2.800 1.00 0.00 N ATOM 855 CA ILE A 56 1.247 3.315 3.618 1.00 0.00 C ATOM 856 C ILE A 56 2.309 2.577 2.800 1.00 0.00 C ATOM 857 O ILE A 56 3.412 2.332 3.285 1.00 0.00 O ATOM 858 CB ILE A 56 0.165 2.398 4.192 1.00 0.00 C ATOM 859 CG1 ILE A 56 -0.652 3.119 5.266 1.00 0.00 C ATOM 860 CG2 ILE A 56 0.773 1.094 4.714 1.00 0.00 C ATOM 861 CD1 ILE A 56 -0.213 2.691 6.669 1.00 0.00 C ATOM 0 H ILE A 56 -0.370 4.386 2.824 1.00 0.00 H new ATOM 0 HA ILE A 56 1.754 3.750 4.480 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.522 2.135 3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.532 4.197 5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.711 2.901 5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.017 0.460 5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.275 0.574 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.495 1.318 5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.809 3.218 7.414 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.357 1.617 6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.840 2.933 6.810 1.00 0.00 H new ATOM 873 N PHE A 57 1.938 2.244 1.572 1.00 0.00 N ATOM 874 CA PHE A 57 2.845 1.540 0.682 1.00 0.00 C ATOM 875 C PHE A 57 3.688 2.522 -0.132 1.00 0.00 C ATOM 876 O PHE A 57 4.278 2.148 -1.144 1.00 0.00 O ATOM 877 CB PHE A 57 1.982 0.712 -0.273 1.00 0.00 C ATOM 878 CG PHE A 57 0.989 -0.216 0.431 1.00 0.00 C ATOM 879 CD1 PHE A 57 1.438 -1.144 1.318 1.00 0.00 C ATOM 880 CD2 PHE A 57 -0.342 -0.114 0.169 1.00 0.00 C ATOM 881 CE1 PHE A 57 0.518 -2.006 1.971 1.00 0.00 C ATOM 882 CE2 PHE A 57 -1.262 -0.975 0.821 1.00 0.00 C ATOM 883 CZ PHE A 57 -0.813 -1.903 1.708 1.00 0.00 C ATOM 0 H PHE A 57 1.022 2.449 1.173 1.00 0.00 H new ATOM 0 HA PHE A 57 3.524 0.915 1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.431 1.388 -0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.634 0.114 -0.909 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.495 -1.225 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -0.699 0.623 -0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.874 -2.743 2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.319 -0.893 0.613 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.513 -2.559 2.204 1.00 0.00 H new ATOM 893 N GLN A 58 3.716 3.760 0.339 1.00 0.00 N ATOM 894 CA GLN A 58 4.477 4.799 -0.334 1.00 0.00 C ATOM 895 C GLN A 58 4.327 4.670 -1.850 1.00 0.00 C ATOM 896 O GLN A 58 5.266 4.280 -2.541 1.00 0.00 O ATOM 897 CB GLN A 58 5.951 4.752 0.077 1.00 0.00 C ATOM 898 CG GLN A 58 6.616 6.118 -0.109 1.00 0.00 C ATOM 899 CD GLN A 58 7.253 6.599 1.195 1.00 0.00 C ATOM 900 OE1 GLN A 58 7.906 5.855 1.908 1.00 0.00 O ATOM 901 NE2 GLN A 58 7.029 7.881 1.467 1.00 0.00 N ATOM 0 H GLN A 58 3.224 4.067 1.178 1.00 0.00 H new ATOM 0 HA GLN A 58 4.079 5.767 -0.031 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.032 4.443 1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.475 4.004 -0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.376 6.053 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.876 6.844 -0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.473 8.449 0.827 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.413 8.297 2.316 1.00 0.00 H new ATOM 910 N ILE A 59 3.136 5.008 -2.325 1.00 0.00 N ATOM 911 CA ILE A 59 2.850 4.935 -3.748 1.00 0.00 C ATOM 912 C ILE A 59 3.243 6.257 -4.411 1.00 0.00 C ATOM 913 O ILE A 59 3.087 7.323 -3.818 1.00 0.00 O ATOM 914 CB ILE A 59 1.390 4.541 -3.981 1.00 0.00 C ATOM 915 CG1 ILE A 59 1.216 3.022 -3.921 1.00 0.00 C ATOM 916 CG2 ILE A 59 0.867 5.127 -5.293 1.00 0.00 C ATOM 917 CD1 ILE A 59 -0.263 2.636 -3.991 1.00 0.00 C ATOM 0 H ILE A 59 2.359 5.333 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 59 3.447 4.153 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 59 0.789 4.966 -3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.756 2.558 -4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.652 2.639 -2.999 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.173 4.832 -5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.934 6.214 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.466 4.753 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.358 1.551 -3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.796 3.082 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.690 3.000 -4.926 1.00 0.00 H new ATOM 929 N ASN A 60 3.746 6.142 -5.631 1.00 0.00 N ATOM 930 CA ASN A 60 4.164 7.315 -6.381 1.00 0.00 C ATOM 931 C ASN A 60 2.961 7.888 -7.133 1.00 0.00 C ATOM 932 O ASN A 60 2.155 7.141 -7.685 1.00 0.00 O ATOM 933 CB ASN A 60 5.238 6.958 -7.410 1.00 0.00 C ATOM 934 CG ASN A 60 6.060 8.189 -7.795 1.00 0.00 C ATOM 935 OD1 ASN A 60 5.540 9.271 -8.013 1.00 0.00 O ATOM 936 ND2 ASN A 60 7.369 7.965 -7.867 1.00 0.00 N ATOM 0 H ASN A 60 3.874 5.255 -6.119 1.00 0.00 H new ATOM 0 HA ASN A 60 4.569 8.040 -5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.896 6.190 -7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.769 6.537 -8.299 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.003 8.724 -8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.739 7.035 -7.672 1.00 0.00 H new ATOM 943 N SER A 61 2.877 9.211 -7.131 1.00 0.00 N ATOM 944 CA SER A 61 1.787 9.893 -7.806 1.00 0.00 C ATOM 945 C SER A 61 2.198 10.249 -9.236 1.00 0.00 C ATOM 946 O SER A 61 1.412 10.824 -9.988 1.00 0.00 O ATOM 947 CB SER A 61 1.370 11.153 -7.046 1.00 0.00 C ATOM 948 OG SER A 61 0.918 12.181 -7.922 1.00 0.00 O ATOM 0 H SER A 61 3.547 9.828 -6.672 1.00 0.00 H new ATOM 0 HA SER A 61 0.930 9.220 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.578 10.905 -6.340 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.214 11.520 -6.462 1.00 0.00 H new ATOM 0 HG SER A 61 0.002 11.986 -8.210 1.00 0.00 H new ATOM 954 N ARG A 62 3.429 9.891 -9.571 1.00 0.00 N ATOM 955 CA ARG A 62 3.954 10.165 -10.897 1.00 0.00 C ATOM 956 C ARG A 62 3.626 9.011 -11.847 1.00 0.00 C ATOM 957 O ARG A 62 3.466 9.217 -13.049 1.00 0.00 O ATOM 958 CB ARG A 62 5.470 10.370 -10.860 1.00 0.00 C ATOM 959 CG ARG A 62 6.087 10.158 -12.243 1.00 0.00 C ATOM 960 CD ARG A 62 7.275 11.096 -12.462 1.00 0.00 C ATOM 961 NE ARG A 62 7.951 10.768 -13.738 1.00 0.00 N ATOM 962 CZ ARG A 62 8.813 9.754 -13.892 1.00 0.00 C ATOM 963 NH1 ARG A 62 9.112 8.964 -12.852 1.00 0.00 N ATOM 964 NH2 ARG A 62 9.378 9.531 -15.086 1.00 0.00 N ATOM 0 H ARG A 62 4.078 9.413 -8.946 1.00 0.00 H new ATOM 0 HA ARG A 62 3.484 11.081 -11.255 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.696 11.377 -10.508 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.917 9.676 -10.148 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.413 9.123 -12.345 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.334 10.333 -13.012 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.934 12.131 -12.477 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.978 11.005 -11.634 1.00 0.00 H new ATOM 0 HE ARG A 62 7.748 11.350 -14.550 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.683 9.134 -11.942 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.768 8.192 -12.970 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.152 10.133 -15.878 1.00 0.00 H new ATOM 0 HH22 ARG A 62 10.034 8.759 -15.203 1.00 0.00 H new ATOM 978 N TYR A 63 3.535 7.821 -11.272 1.00 0.00 N ATOM 979 CA TYR A 63 3.229 6.635 -12.052 1.00 0.00 C ATOM 980 C TYR A 63 1.795 6.163 -11.795 1.00 0.00 C ATOM 981 O TYR A 63 0.957 6.196 -12.693 1.00 0.00 O ATOM 982 CB TYR A 63 4.202 5.554 -11.575 1.00 0.00 C ATOM 983 CG TYR A 63 5.178 5.078 -12.652 1.00 0.00 C ATOM 984 CD1 TYR A 63 4.819 4.055 -13.507 1.00 0.00 C ATOM 985 CD2 TYR A 63 6.419 5.670 -12.768 1.00 0.00 C ATOM 986 CE1 TYR A 63 5.739 3.607 -14.519 1.00 0.00 C ATOM 987 CE2 TYR A 63 7.340 5.222 -13.781 1.00 0.00 C ATOM 988 CZ TYR A 63 6.954 4.213 -14.607 1.00 0.00 C ATOM 989 OH TYR A 63 7.823 3.789 -15.563 1.00 0.00 O ATOM 0 H TYR A 63 3.668 7.653 -10.275 1.00 0.00 H new ATOM 0 HA TYR A 63 3.323 6.842 -13.118 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.770 5.939 -10.728 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.631 4.699 -11.213 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.848 3.591 -13.416 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.700 6.470 -12.099 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.471 2.807 -15.194 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.314 5.677 -13.882 1.00 0.00 H new ATOM 0 HH TYR A 63 8.650 4.312 -15.509 1.00 0.00 H new ATOM 999 N TRP A 64 1.560 5.737 -10.562 1.00 0.00 N ATOM 1000 CA TRP A 64 0.243 5.259 -10.176 1.00 0.00 C ATOM 1001 C TRP A 64 -0.706 6.460 -10.152 1.00 0.00 C ATOM 1002 O TRP A 64 -0.825 7.182 -11.141 1.00 0.00 O ATOM 1003 CB TRP A 64 0.300 4.516 -8.840 1.00 0.00 C ATOM 1004 CG TRP A 64 1.136 3.235 -8.876 1.00 0.00 C ATOM 1005 CD1 TRP A 64 0.750 2.008 -9.253 1.00 0.00 C ATOM 1006 CD2 TRP A 64 2.524 3.104 -8.502 1.00 0.00 C ATOM 1007 NE1 TRP A 64 1.784 1.100 -9.151 1.00 0.00 N ATOM 1008 CE2 TRP A 64 2.897 1.787 -8.680 1.00 0.00 C ATOM 1009 CE3 TRP A 64 3.434 4.066 -8.031 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 4.186 1.312 -8.411 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 4.719 3.575 -7.766 1.00 0.00 C ATOM 1012 CH2 TRP A 64 5.110 2.253 -7.939 1.00 0.00 C ATOM 0 H TRP A 64 2.258 5.713 -9.819 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.131 4.533 -10.897 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.709 5.184 -8.082 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -0.715 4.267 -8.531 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.245 1.761 -9.594 1.00 0.00 H new ATOM 0 HE1 TRP A 64 1.740 0.107 -9.379 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.164 5.101 -7.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.454 0.276 -8.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 5.458 4.273 -7.402 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.122 1.952 -7.711 1.00 0.00 H new ATOM 1023 N CYS A 65 -1.359 6.635 -9.012 1.00 0.00 N ATOM 1024 CA CYS A 65 -2.294 7.734 -8.847 1.00 0.00 C ATOM 1025 C CYS A 65 -1.748 8.947 -9.602 1.00 0.00 C ATOM 1026 O CYS A 65 -0.535 9.098 -9.749 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.544 8.047 -7.370 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.414 9.291 -6.647 1.00 0.00 S ATOM 0 H CYS A 65 -1.259 6.034 -8.194 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.263 7.455 -9.261 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.569 8.399 -7.256 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.459 7.123 -6.798 1.00 0.00 H new ATOM 1033 N ASN A 66 -2.668 9.782 -10.062 1.00 0.00 N ATOM 1034 CA ASN A 66 -2.294 10.976 -10.799 1.00 0.00 C ATOM 1035 C ASN A 66 -3.110 12.164 -10.286 1.00 0.00 C ATOM 1036 O ASN A 66 -3.942 12.010 -9.392 1.00 0.00 O ATOM 1037 CB ASN A 66 -2.581 10.816 -12.293 1.00 0.00 C ATOM 1038 CG ASN A 66 -1.297 10.520 -13.070 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -0.356 9.931 -12.564 1.00 0.00 O ATOM 1040 ND2 ASN A 66 -1.309 10.962 -14.324 1.00 0.00 N ATOM 0 H ASN A 66 -3.672 9.655 -9.938 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.226 11.140 -10.653 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.296 10.008 -12.445 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.041 11.726 -12.678 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.498 10.815 -14.924 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.130 11.448 -14.686 1.00 0.00 H new ATOM 1047 N ASP A 67 -2.846 13.322 -10.874 1.00 0.00 N ATOM 1048 CA ASP A 67 -3.547 14.535 -10.487 1.00 0.00 C ATOM 1049 C ASP A 67 -4.515 14.936 -11.601 1.00 0.00 C ATOM 1050 O ASP A 67 -5.715 15.073 -11.366 1.00 0.00 O ATOM 1051 CB ASP A 67 -2.568 15.691 -10.272 1.00 0.00 C ATOM 1052 CG ASP A 67 -3.190 16.966 -9.698 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -4.331 17.274 -10.106 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -2.511 17.603 -8.864 1.00 0.00 O ATOM 0 H ASP A 67 -2.156 13.446 -11.615 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.080 14.336 -9.557 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.776 15.357 -9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.098 15.931 -11.226 1.00 0.00 H new ATOM 1059 N GLY A 68 -3.958 15.114 -12.790 1.00 0.00 N ATOM 1060 CA GLY A 68 -4.757 15.498 -13.941 1.00 0.00 C ATOM 1061 C GLY A 68 -4.415 16.917 -14.398 1.00 0.00 C ATOM 1062 O GLY A 68 -4.928 17.388 -15.412 1.00 0.00 O ATOM 0 H GLY A 68 -2.963 14.999 -12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.584 14.798 -14.758 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.816 15.439 -13.689 1.00 0.00 H new ATOM 1066 N LYS A 69 -3.548 17.560 -13.628 1.00 0.00 N ATOM 1067 CA LYS A 69 -3.132 18.916 -13.942 1.00 0.00 C ATOM 1068 C LYS A 69 -1.815 18.872 -14.719 1.00 0.00 C ATOM 1069 O LYS A 69 -1.368 19.890 -15.248 1.00 0.00 O ATOM 1070 CB LYS A 69 -3.068 19.764 -12.670 1.00 0.00 C ATOM 1071 CG LYS A 69 -4.469 20.186 -12.222 1.00 0.00 C ATOM 1072 CD LYS A 69 -4.397 21.249 -11.124 1.00 0.00 C ATOM 1073 CE LYS A 69 -5.174 20.808 -9.883 1.00 0.00 C ATOM 1074 NZ LYS A 69 -5.617 21.986 -9.102 1.00 0.00 N ATOM 0 H LYS A 69 -3.123 17.167 -12.788 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.866 19.402 -14.585 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.583 19.198 -11.875 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.457 20.649 -12.849 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.025 20.576 -13.075 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.015 19.316 -11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.356 21.433 -10.859 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.803 22.190 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.039 20.215 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.547 20.168 -9.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.143 21.668 -8.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.787 22.536 -8.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.233 22.582 -9.691 1.00 0.00 H new ATOM 1088 N THR A 70 -1.229 17.685 -14.763 1.00 0.00 N ATOM 1089 CA THR A 70 0.029 17.496 -15.466 1.00 0.00 C ATOM 1090 C THR A 70 -0.062 16.293 -16.407 1.00 0.00 C ATOM 1091 O THR A 70 0.203 15.163 -16.002 1.00 0.00 O ATOM 1092 CB THR A 70 1.140 17.369 -14.422 1.00 0.00 C ATOM 1093 OG1 THR A 70 2.295 17.027 -15.184 1.00 0.00 O ATOM 1094 CG2 THR A 70 0.937 16.169 -13.494 1.00 0.00 C ATOM 0 H THR A 70 -1.602 16.844 -14.323 1.00 0.00 H new ATOM 0 HA THR A 70 0.259 18.350 -16.103 1.00 0.00 H new ATOM 0 HB THR A 70 1.187 18.282 -13.829 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.966 16.621 -14.596 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.753 16.125 -12.772 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.010 16.274 -12.965 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.924 15.252 -14.083 1.00 0.00 H new ATOM 1102 N PRO A 71 -0.447 16.586 -17.678 1.00 0.00 N ATOM 1103 CA PRO A 71 -0.576 15.540 -18.679 1.00 0.00 C ATOM 1104 C PRO A 71 0.798 15.075 -19.166 1.00 0.00 C ATOM 1105 O PRO A 71 1.076 15.097 -20.364 1.00 0.00 O ATOM 1106 CB PRO A 71 -1.420 16.156 -19.784 1.00 0.00 C ATOM 1107 CG PRO A 71 -1.342 17.660 -19.578 1.00 0.00 C ATOM 1108 CD PRO A 71 -0.769 17.912 -18.193 1.00 0.00 C ATOM 0 HA PRO A 71 -1.050 14.639 -18.288 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.041 15.876 -20.767 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.451 15.807 -19.729 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -0.712 18.118 -20.341 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.331 18.110 -19.670 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.118 18.544 -18.240 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.490 18.421 -17.553 1.00 0.00 H new ATOM 1116 N ARG A 72 1.620 14.665 -18.212 1.00 0.00 N ATOM 1117 CA ARG A 72 2.958 14.195 -18.527 1.00 0.00 C ATOM 1118 C ARG A 72 3.189 12.806 -17.929 1.00 0.00 C ATOM 1119 O ARG A 72 3.694 11.911 -18.604 1.00 0.00 O ATOM 1120 CB ARG A 72 4.021 15.156 -17.991 1.00 0.00 C ATOM 1121 CG ARG A 72 4.947 15.631 -19.113 1.00 0.00 C ATOM 1122 CD ARG A 72 4.678 17.095 -19.463 1.00 0.00 C ATOM 1123 NE ARG A 72 5.815 17.936 -19.029 1.00 0.00 N ATOM 1124 CZ ARG A 72 6.016 19.197 -19.438 1.00 0.00 C ATOM 1125 NH1 ARG A 72 5.158 19.770 -20.293 1.00 0.00 N ATOM 1126 NH2 ARG A 72 7.076 19.885 -18.991 1.00 0.00 N ATOM 0 H ARG A 72 1.385 14.648 -17.220 1.00 0.00 H new ATOM 0 HA ARG A 72 3.043 14.145 -19.613 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.538 16.015 -17.525 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.607 14.661 -17.216 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.986 15.512 -18.807 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.802 15.010 -19.997 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.528 17.199 -20.538 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.761 17.431 -18.979 1.00 0.00 H new ATOM 0 HE ARG A 72 6.488 17.531 -18.378 1.00 0.00 H new ATOM 0 HH11 ARG A 72 4.351 19.247 -20.633 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.312 20.729 -20.604 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.729 19.449 -18.340 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.229 20.844 -19.302 1.00 0.00 H new ATOM 1140 N ALA A 73 2.805 12.669 -16.668 1.00 0.00 N ATOM 1141 CA ALA A 73 2.963 11.404 -15.970 1.00 0.00 C ATOM 1142 C ALA A 73 2.218 10.309 -16.735 1.00 0.00 C ATOM 1143 O ALA A 73 1.849 10.496 -17.893 1.00 0.00 O ATOM 1144 CB ALA A 73 2.468 11.550 -14.531 1.00 0.00 C ATOM 0 H ALA A 73 2.385 13.413 -16.112 1.00 0.00 H new ATOM 0 HA ALA A 73 4.014 11.118 -15.925 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.586 10.601 -14.007 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.049 12.320 -14.023 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.415 11.833 -14.535 1.00 0.00 H new ATOM 1150 N VAL A 74 2.019 9.188 -16.057 1.00 0.00 N ATOM 1151 CA VAL A 74 1.325 8.062 -16.657 1.00 0.00 C ATOM 1152 C VAL A 74 0.600 7.273 -15.566 1.00 0.00 C ATOM 1153 O VAL A 74 1.125 6.284 -15.057 1.00 0.00 O ATOM 1154 CB VAL A 74 2.309 7.207 -17.459 1.00 0.00 C ATOM 1155 CG1 VAL A 74 3.534 6.847 -16.617 1.00 0.00 C ATOM 1156 CG2 VAL A 74 1.628 5.950 -18.001 1.00 0.00 C ATOM 0 H VAL A 74 2.327 9.036 -15.097 1.00 0.00 H new ATOM 0 HA VAL A 74 0.570 8.412 -17.361 1.00 0.00 H new ATOM 0 HB VAL A 74 2.649 7.797 -18.310 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.217 6.239 -17.210 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.040 7.760 -16.302 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.219 6.285 -15.738 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.349 5.361 -18.567 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.246 5.356 -17.171 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.802 6.236 -18.653 1.00 0.00 H new ATOM 1166 N ASN A 75 -0.596 7.740 -15.236 1.00 0.00 N ATOM 1167 CA ASN A 75 -1.398 7.092 -14.214 1.00 0.00 C ATOM 1168 C ASN A 75 -1.591 5.619 -14.582 1.00 0.00 C ATOM 1169 O ASN A 75 -2.443 5.288 -15.405 1.00 0.00 O ATOM 1170 CB ASN A 75 -2.780 7.738 -14.105 1.00 0.00 C ATOM 1171 CG ASN A 75 -3.501 7.719 -15.454 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -2.949 7.350 -16.478 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -4.763 8.137 -15.400 1.00 0.00 N ATOM 0 H ASN A 75 -1.028 8.561 -15.660 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.877 7.194 -13.262 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.376 7.207 -13.362 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.679 8.766 -13.757 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.329 8.162 -16.248 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.165 8.432 -14.510 1.00 0.00 H new ATOM 1180 N ALA A 76 -0.787 4.775 -13.954 1.00 0.00 N ATOM 1181 CA ALA A 76 -0.859 3.345 -14.205 1.00 0.00 C ATOM 1182 C ALA A 76 -2.017 2.748 -13.403 1.00 0.00 C ATOM 1183 O ALA A 76 -2.524 1.680 -13.740 1.00 0.00 O ATOM 1184 CB ALA A 76 0.485 2.697 -13.861 1.00 0.00 C ATOM 0 H ALA A 76 -0.082 5.053 -13.272 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.054 3.150 -15.260 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.431 1.625 -14.049 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.269 3.135 -14.479 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.714 2.870 -12.809 1.00 0.00 H new ATOM 1190 N CYS A 77 -2.401 3.465 -12.358 1.00 0.00 N ATOM 1191 CA CYS A 77 -3.489 3.020 -11.505 1.00 0.00 C ATOM 1192 C CYS A 77 -4.797 3.594 -12.055 1.00 0.00 C ATOM 1193 O CYS A 77 -5.848 2.963 -11.951 1.00 0.00 O ATOM 1194 CB CYS A 77 -3.263 3.416 -10.044 1.00 0.00 C ATOM 1195 SG CYS A 77 -4.000 2.277 -8.816 1.00 0.00 S ATOM 0 H CYS A 77 -1.978 4.351 -12.083 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.538 1.931 -11.514 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.190 3.480 -9.861 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -3.673 4.413 -9.885 1.00 0.00 H new ATOM 1200 N GLY A 78 -4.689 4.783 -12.629 1.00 0.00 N ATOM 1201 CA GLY A 78 -5.849 5.448 -13.196 1.00 0.00 C ATOM 1202 C GLY A 78 -6.850 5.831 -12.104 1.00 0.00 C ATOM 1203 O GLY A 78 -8.008 5.419 -12.146 1.00 0.00 O ATOM 0 H GLY A 78 -3.816 5.303 -12.714 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.533 6.342 -13.734 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.330 4.792 -13.921 1.00 0.00 H new ATOM 1207 N ILE A 79 -6.367 6.615 -11.152 1.00 0.00 N ATOM 1208 CA ILE A 79 -7.205 7.058 -10.050 1.00 0.00 C ATOM 1209 C ILE A 79 -6.743 8.441 -9.587 1.00 0.00 C ATOM 1210 O ILE A 79 -5.628 8.861 -9.892 1.00 0.00 O ATOM 1211 CB ILE A 79 -7.222 6.011 -8.935 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.201 6.350 -7.848 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -7.009 4.604 -9.500 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.548 5.083 -7.292 1.00 0.00 C ATOM 0 H ILE A 79 -5.406 6.955 -11.120 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.240 7.160 -10.376 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.207 6.026 -8.469 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.435 7.008 -8.257 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.691 6.894 -7.041 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.025 3.879 -8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.804 4.372 -10.209 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.046 4.558 -10.008 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.827 5.354 -6.521 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.314 4.438 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.038 4.554 -8.097 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.624 9.111 -8.858 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.320 10.438 -8.352 1.00 0.00 C ATOM 1228 C ASN A 80 -6.290 10.326 -7.226 1.00 0.00 C ATOM 1229 O ASN A 80 -6.456 9.528 -6.305 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.571 11.109 -7.782 1.00 0.00 C ATOM 1231 CG ASN A 80 -9.136 12.140 -8.761 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -8.788 12.179 -9.930 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -10.023 12.970 -8.222 1.00 0.00 N ATOM 0 H ASN A 80 -8.548 8.759 -8.606 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.935 11.035 -9.179 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.327 10.354 -7.568 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -8.329 11.595 -6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.457 13.694 -8.794 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.270 12.883 -7.236 1.00 0.00 H new ATOM 1240 N CYS A 81 -5.247 11.137 -7.338 1.00 0.00 N ATOM 1241 CA CYS A 81 -4.191 11.138 -6.342 1.00 0.00 C ATOM 1242 C CYS A 81 -4.789 11.585 -5.007 1.00 0.00 C ATOM 1243 O CYS A 81 -4.415 11.074 -3.952 1.00 0.00 O ATOM 1244 CB CYS A 81 -3.016 12.022 -6.764 1.00 0.00 C ATOM 1245 SG CYS A 81 -1.646 11.135 -7.594 1.00 0.00 S ATOM 0 H CYS A 81 -5.112 11.797 -8.104 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.785 10.132 -6.239 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.386 12.798 -7.434 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.622 12.525 -5.881 1.00 0.00 H new ATOM 1250 N SER A 82 -5.709 12.535 -5.096 1.00 0.00 N ATOM 1251 CA SER A 82 -6.363 13.057 -3.908 1.00 0.00 C ATOM 1252 C SER A 82 -6.890 11.904 -3.051 1.00 0.00 C ATOM 1253 O SER A 82 -7.029 12.040 -1.837 1.00 0.00 O ATOM 1254 CB SER A 82 -7.502 14.007 -4.278 1.00 0.00 C ATOM 1255 OG SER A 82 -7.502 15.183 -3.473 1.00 0.00 O ATOM 0 H SER A 82 -6.017 12.957 -5.972 1.00 0.00 H new ATOM 0 HA SER A 82 -5.628 13.621 -3.334 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.414 14.287 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.455 13.491 -4.165 1.00 0.00 H new ATOM 0 HG SER A 82 -8.244 15.764 -3.743 1.00 0.00 H new ATOM 1261 N ALA A 83 -7.170 10.794 -3.719 1.00 0.00 N ATOM 1262 CA ALA A 83 -7.680 9.618 -3.034 1.00 0.00 C ATOM 1263 C ALA A 83 -6.629 9.116 -2.042 1.00 0.00 C ATOM 1264 O ALA A 83 -6.967 8.482 -1.042 1.00 0.00 O ATOM 1265 CB ALA A 83 -8.064 8.553 -4.065 1.00 0.00 C ATOM 0 H ALA A 83 -7.053 10.684 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.578 9.863 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.447 7.671 -3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.833 8.949 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.186 8.280 -4.650 1.00 0.00 H new ATOM 1271 N LEU A 84 -5.377 9.418 -2.350 1.00 0.00 N ATOM 1272 CA LEU A 84 -4.275 9.005 -1.497 1.00 0.00 C ATOM 1273 C LEU A 84 -3.976 10.114 -0.487 1.00 0.00 C ATOM 1274 O LEU A 84 -2.997 10.035 0.255 1.00 0.00 O ATOM 1275 CB LEU A 84 -3.066 8.601 -2.343 1.00 0.00 C ATOM 1276 CG LEU A 84 -3.353 7.667 -3.521 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -2.119 6.832 -3.872 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -4.577 6.792 -3.241 1.00 0.00 C ATOM 0 H LEU A 84 -5.100 9.944 -3.179 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.546 8.117 -0.926 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.599 9.507 -2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.337 8.119 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.587 8.278 -4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.350 6.177 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.297 7.494 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.830 6.229 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.759 6.138 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.397 6.188 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.448 7.426 -3.078 1.00 0.00 H new ATOM 1290 N LEU A 85 -4.836 11.122 -0.489 1.00 0.00 N ATOM 1291 CA LEU A 85 -4.676 12.244 0.419 1.00 0.00 C ATOM 1292 C LEU A 85 -5.922 12.364 1.300 1.00 0.00 C ATOM 1293 O LEU A 85 -6.230 13.444 1.801 1.00 0.00 O ATOM 1294 CB LEU A 85 -4.348 13.520 -0.360 1.00 0.00 C ATOM 1295 CG LEU A 85 -2.995 14.164 -0.052 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -2.893 14.547 1.425 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -1.844 13.255 -0.490 1.00 0.00 C ATOM 0 H LEU A 85 -5.646 11.185 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.829 12.078 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.385 13.292 -1.425 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.130 14.253 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.916 15.086 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.921 15.003 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.682 15.257 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.003 13.654 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.893 13.736 -0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.908 12.305 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.910 13.076 -1.563 1.00 0.00 H new ATOM 1309 N GLN A 86 -6.604 11.240 1.460 1.00 0.00 N ATOM 1310 CA GLN A 86 -7.809 11.205 2.271 1.00 0.00 C ATOM 1311 C GLN A 86 -7.507 10.603 3.646 1.00 0.00 C ATOM 1312 O GLN A 86 -6.347 10.492 4.036 1.00 0.00 O ATOM 1313 CB GLN A 86 -8.923 10.430 1.566 1.00 0.00 C ATOM 1314 CG GLN A 86 -8.967 10.768 0.075 1.00 0.00 C ATOM 1315 CD GLN A 86 -10.405 11.000 -0.393 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -11.016 10.167 -1.042 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -10.910 12.176 -0.029 1.00 0.00 N ATOM 0 H GLN A 86 -6.345 10.346 1.042 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.157 12.228 2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.764 9.359 1.695 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.883 10.668 2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.370 11.660 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.521 9.956 -0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.344 12.828 0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.863 12.426 -0.293 1.00 0.00 H new ATOM 1326 N ASP A 87 -8.573 10.230 4.340 1.00 0.00 N ATOM 1327 CA ASP A 87 -8.436 9.642 5.661 1.00 0.00 C ATOM 1328 C ASP A 87 -8.329 8.121 5.529 1.00 0.00 C ATOM 1329 O ASP A 87 -7.326 7.529 5.924 1.00 0.00 O ATOM 1330 CB ASP A 87 -9.653 9.957 6.532 1.00 0.00 C ATOM 1331 CG ASP A 87 -10.858 10.526 5.780 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -11.384 9.793 4.915 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -11.225 11.681 6.087 1.00 0.00 O ATOM 0 H ASP A 87 -9.534 10.324 4.012 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.542 10.059 6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.961 9.045 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.355 10.669 7.302 1.00 0.00 H new ATOM 1338 N ASP A 88 -9.378 7.533 4.974 1.00 0.00 N ATOM 1339 CA ASP A 88 -9.415 6.093 4.785 1.00 0.00 C ATOM 1340 C ASP A 88 -8.317 5.683 3.800 1.00 0.00 C ATOM 1341 O ASP A 88 -7.798 6.518 3.061 1.00 0.00 O ATOM 1342 CB ASP A 88 -10.759 5.647 4.206 1.00 0.00 C ATOM 1343 CG ASP A 88 -11.955 5.817 5.145 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -11.930 6.794 5.925 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -12.867 4.966 5.061 1.00 0.00 O ATOM 0 H ASP A 88 -10.209 8.027 4.649 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.267 5.622 5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.950 6.211 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.685 4.597 3.922 1.00 0.00 H new ATOM 1350 N ILE A 89 -7.996 4.398 3.822 1.00 0.00 N ATOM 1351 CA ILE A 89 -6.970 3.868 2.940 1.00 0.00 C ATOM 1352 C ILE A 89 -7.635 3.126 1.779 1.00 0.00 C ATOM 1353 O ILE A 89 -6.956 2.491 0.973 1.00 0.00 O ATOM 1354 CB ILE A 89 -5.977 3.012 3.729 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -6.682 1.830 4.398 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -5.199 3.861 4.737 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -5.798 0.582 4.377 1.00 0.00 C ATOM 0 H ILE A 89 -8.428 3.708 4.437 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.384 4.678 2.506 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.251 2.599 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.932 2.086 5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.621 1.624 3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.501 3.228 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.647 4.638 4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -5.895 4.323 5.437 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.322 -0.243 4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.570 0.315 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.870 0.784 4.912 1.00 0.00 H new ATOM 1369 N THR A 90 -8.955 3.231 1.730 1.00 0.00 N ATOM 1370 CA THR A 90 -9.719 2.578 0.681 1.00 0.00 C ATOM 1371 C THR A 90 -9.037 2.773 -0.675 1.00 0.00 C ATOM 1372 O THR A 90 -9.074 1.885 -1.527 1.00 0.00 O ATOM 1373 CB THR A 90 -11.147 3.124 0.727 1.00 0.00 C ATOM 1374 OG1 THR A 90 -11.851 2.336 -0.230 1.00 0.00 O ATOM 1375 CG2 THR A 90 -11.248 4.550 0.180 1.00 0.00 C ATOM 0 H THR A 90 -9.515 3.759 2.400 1.00 0.00 H new ATOM 0 HA THR A 90 -9.763 1.500 0.836 1.00 0.00 H new ATOM 0 HB THR A 90 -11.510 3.103 1.755 1.00 0.00 H new ATOM 0 HG1 THR A 90 -12.788 2.622 -0.264 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.283 4.889 0.236 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.617 5.212 0.772 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.917 4.566 -0.858 1.00 0.00 H new ATOM 1383 N ALA A 91 -8.431 3.941 -0.835 1.00 0.00 N ATOM 1384 CA ALA A 91 -7.742 4.263 -2.073 1.00 0.00 C ATOM 1385 C ALA A 91 -6.447 3.453 -2.157 1.00 0.00 C ATOM 1386 O ALA A 91 -6.088 2.958 -3.224 1.00 0.00 O ATOM 1387 CB ALA A 91 -7.493 5.772 -2.140 1.00 0.00 C ATOM 0 H ALA A 91 -8.403 4.675 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.354 3.995 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -6.976 6.015 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.446 6.300 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.879 6.077 -1.293 1.00 0.00 H new ATOM 1393 N ALA A 92 -5.781 3.343 -1.017 1.00 0.00 N ATOM 1394 CA ALA A 92 -4.533 2.602 -0.948 1.00 0.00 C ATOM 1395 C ALA A 92 -4.804 1.126 -1.246 1.00 0.00 C ATOM 1396 O ALA A 92 -4.001 0.463 -1.898 1.00 0.00 O ATOM 1397 CB ALA A 92 -3.889 2.812 0.425 1.00 0.00 C ATOM 0 H ALA A 92 -6.082 3.755 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.829 2.965 -1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.953 2.256 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.690 3.873 0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.565 2.457 1.202 1.00 0.00 H new ATOM 1403 N ILE A 93 -5.940 0.655 -0.752 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.328 -0.730 -0.957 1.00 0.00 C ATOM 1405 C ILE A 93 -6.735 -0.931 -2.417 1.00 0.00 C ATOM 1406 O ILE A 93 -6.276 -1.867 -3.071 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.410 -1.137 0.045 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -7.036 -0.703 1.464 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.698 -2.638 -0.038 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -8.056 -1.219 2.481 1.00 0.00 C ATOM 0 H ILE A 93 -6.604 1.208 -0.210 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.484 -1.394 -0.767 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.331 -0.617 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.045 -1.080 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.985 0.385 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.471 -2.901 0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.040 -2.888 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.788 -3.196 0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.767 -0.897 3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.042 -0.820 2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.087 -2.308 2.445 1.00 0.00 H new ATOM 1422 N GLN A 94 -7.591 -0.036 -2.888 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.065 -0.103 -4.260 1.00 0.00 C ATOM 1424 C GLN A 94 -6.882 -0.112 -5.230 1.00 0.00 C ATOM 1425 O GLN A 94 -6.817 -0.950 -6.129 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.018 1.054 -4.569 1.00 0.00 C ATOM 1427 CG GLN A 94 -9.879 0.743 -5.795 1.00 0.00 C ATOM 1428 CD GLN A 94 -11.352 1.054 -5.522 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -11.697 1.857 -4.671 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -12.199 0.377 -6.292 1.00 0.00 N ATOM 0 H GLN A 94 -7.969 0.740 -2.344 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.621 -1.032 -4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.659 1.241 -3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -8.445 1.965 -4.744 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.531 1.328 -6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -9.769 -0.307 -6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.843 -0.281 -6.986 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -13.204 0.516 -6.189 1.00 0.00 H new ATOM 1439 N CYS A 95 -5.975 0.829 -5.017 1.00 0.00 N ATOM 1440 CA CYS A 95 -4.797 0.941 -5.860 1.00 0.00 C ATOM 1441 C CYS A 95 -3.905 -0.276 -5.603 1.00 0.00 C ATOM 1442 O CYS A 95 -3.387 -0.879 -6.541 1.00 0.00 O ATOM 1443 CB CYS A 95 -4.053 2.256 -5.623 1.00 0.00 C ATOM 1444 SG CYS A 95 -3.196 2.930 -7.093 1.00 0.00 S ATOM 0 H CYS A 95 -6.032 1.522 -4.271 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.097 0.955 -6.908 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.764 2.999 -5.262 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.320 2.105 -4.830 1.00 0.00 H new ATOM 1449 N ALA A 96 -3.754 -0.598 -4.327 1.00 0.00 N ATOM 1450 CA ALA A 96 -2.933 -1.732 -3.934 1.00 0.00 C ATOM 1451 C ALA A 96 -3.365 -2.967 -4.726 1.00 0.00 C ATOM 1452 O ALA A 96 -2.531 -3.655 -5.313 1.00 0.00 O ATOM 1453 CB ALA A 96 -3.042 -1.941 -2.423 1.00 0.00 C ATOM 0 H ALA A 96 -4.186 -0.094 -3.552 1.00 0.00 H new ATOM 0 HA ALA A 96 -1.884 -1.544 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.427 -2.791 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -2.696 -1.046 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.081 -2.135 -2.157 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.667 -3.211 -4.718 1.00 0.00 N ATOM 1460 CA LYS A 97 -5.219 -4.351 -5.429 1.00 0.00 C ATOM 1461 C LYS A 97 -5.078 -4.127 -6.935 1.00 0.00 C ATOM 1462 O LYS A 97 -4.750 -5.051 -7.676 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.657 -4.618 -4.979 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.585 -3.477 -5.402 1.00 0.00 C ATOM 1465 CD LYS A 97 -9.032 -3.958 -5.512 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.779 -3.202 -6.613 1.00 0.00 C ATOM 1467 NZ LYS A 97 -10.412 -4.151 -7.556 1.00 0.00 N ATOM 0 H LYS A 97 -5.356 -2.638 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.660 -5.255 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.008 -5.556 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.687 -4.733 -3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.522 -2.665 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.258 -3.074 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.048 -5.027 -5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.540 -3.815 -4.558 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.539 -2.559 -6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.087 -2.553 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.915 -3.621 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.680 -4.747 -7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.087 -4.753 -7.042 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.333 -2.891 -7.343 1.00 0.00 N ATOM 1482 CA ARG A 98 -5.237 -2.532 -8.748 1.00 0.00 C ATOM 1483 C ARG A 98 -3.786 -2.628 -9.223 1.00 0.00 C ATOM 1484 O ARG A 98 -3.527 -2.739 -10.420 1.00 0.00 O ATOM 1485 CB ARG A 98 -5.753 -1.113 -8.990 1.00 0.00 C ATOM 1486 CG ARG A 98 -5.909 -0.833 -10.486 1.00 0.00 C ATOM 1487 CD ARG A 98 -7.385 -0.814 -10.890 1.00 0.00 C ATOM 1488 NE ARG A 98 -7.515 -1.070 -12.341 1.00 0.00 N ATOM 1489 CZ ARG A 98 -8.615 -0.794 -13.056 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -9.685 -0.253 -12.460 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -8.644 -1.062 -14.369 1.00 0.00 N ATOM 0 H ARG A 98 -5.606 -2.127 -6.725 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.854 -3.232 -9.312 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.712 -0.981 -8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.063 -0.392 -8.552 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.449 0.125 -10.730 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.381 -1.595 -11.059 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.934 -1.570 -10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.826 0.151 -10.642 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.719 -1.482 -12.828 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.664 -0.050 -11.461 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.521 -0.044 -13.005 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.830 -1.476 -14.823 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.480 -0.852 -14.914 1.00 0.00 H new ATOM 1505 N VAL A 99 -2.878 -2.582 -8.260 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.459 -2.661 -8.565 1.00 0.00 C ATOM 1507 C VAL A 99 -1.038 -4.131 -8.629 1.00 0.00 C ATOM 1508 O VAL A 99 -0.475 -4.576 -9.628 1.00 0.00 O ATOM 1509 CB VAL A 99 -0.658 -1.853 -7.542 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.837 -2.167 -7.646 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -0.916 -0.355 -7.703 1.00 0.00 C ATOM 0 H VAL A 99 -3.097 -2.491 -7.268 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.252 -2.220 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.994 -2.145 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.384 -1.580 -6.908 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.000 -3.228 -7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.193 -1.917 -8.645 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.335 0.196 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.621 -0.041 -8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.977 -0.151 -7.556 1.00 0.00 H new ATOM 1521 N VAL A 100 -1.325 -4.844 -7.550 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.983 -6.254 -7.471 1.00 0.00 C ATOM 1523 C VAL A 100 -1.665 -7.004 -8.616 1.00 0.00 C ATOM 1524 O VAL A 100 -1.108 -7.958 -9.157 1.00 0.00 O ATOM 1525 CB VAL A 100 -1.351 -6.805 -6.092 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -1.147 -8.321 -6.036 1.00 0.00 C ATOM 1527 CG2 VAL A 100 -0.554 -6.103 -4.991 1.00 0.00 C ATOM 0 H VAL A 100 -1.791 -4.471 -6.723 1.00 0.00 H new ATOM 0 HA VAL A 100 0.092 -6.394 -7.586 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.408 -6.603 -5.921 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.416 -8.688 -5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.778 -8.801 -6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.102 -8.555 -6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.834 -6.513 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.512 -6.260 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.771 -5.035 -5.010 1.00 0.00 H new ATOM 1537 N ARG A 101 -2.862 -6.546 -8.953 1.00 0.00 N ATOM 1538 CA ARG A 101 -3.626 -7.162 -10.024 1.00 0.00 C ATOM 1539 C ARG A 101 -2.937 -6.927 -11.369 1.00 0.00 C ATOM 1540 O ARG A 101 -3.253 -7.591 -12.356 1.00 0.00 O ATOM 1541 CB ARG A 101 -5.048 -6.598 -10.081 1.00 0.00 C ATOM 1542 CG ARG A 101 -5.942 -7.458 -10.976 1.00 0.00 C ATOM 1543 CD ARG A 101 -7.103 -6.637 -11.541 1.00 0.00 C ATOM 1544 NE ARG A 101 -7.789 -7.399 -12.607 1.00 0.00 N ATOM 1545 CZ ARG A 101 -8.933 -7.014 -13.189 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -9.526 -5.872 -12.812 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -9.485 -7.769 -14.149 1.00 0.00 N ATOM 0 H ARG A 101 -3.322 -5.755 -8.502 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.680 -8.232 -9.821 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.467 -6.555 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -5.023 -5.576 -10.460 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.353 -7.872 -11.794 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.332 -8.301 -10.405 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.808 -6.393 -10.746 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.732 -5.693 -11.939 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.365 -8.273 -12.919 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -9.106 -5.296 -12.082 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -10.397 -5.579 -13.255 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.034 -8.637 -14.437 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -10.356 -7.475 -14.591 1.00 0.00 H new ATOM 1561 N ASP A 102 -2.009 -5.983 -11.367 1.00 0.00 N ATOM 1562 CA ASP A 102 -1.272 -5.653 -12.575 1.00 0.00 C ATOM 1563 C ASP A 102 -0.103 -6.627 -12.736 1.00 0.00 C ATOM 1564 O ASP A 102 0.097 -7.507 -11.900 1.00 0.00 O ATOM 1565 CB ASP A 102 -0.700 -4.236 -12.503 1.00 0.00 C ATOM 1566 CG ASP A 102 -1.173 -3.291 -13.609 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -2.037 -3.728 -14.399 1.00 0.00 O ATOM 1568 OD2 ASP A 102 -0.660 -2.152 -13.639 1.00 0.00 O ATOM 0 H ASP A 102 -1.750 -5.435 -10.547 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.960 -5.721 -13.418 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.963 -3.803 -11.538 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.388 -4.297 -12.539 1.00 0.00 H new ATOM 1573 N PRO A 103 0.658 -6.433 -13.847 1.00 0.00 N ATOM 1574 CA PRO A 103 1.802 -7.283 -14.129 1.00 0.00 C ATOM 1575 C PRO A 103 2.980 -6.937 -13.218 1.00 0.00 C ATOM 1576 O PRO A 103 4.064 -7.503 -13.356 1.00 0.00 O ATOM 1577 CB PRO A 103 2.104 -7.062 -15.602 1.00 0.00 C ATOM 1578 CG PRO A 103 1.420 -5.756 -15.974 1.00 0.00 C ATOM 1579 CD PRO A 103 0.450 -5.402 -14.859 1.00 0.00 C ATOM 0 HA PRO A 103 1.602 -8.336 -13.932 1.00 0.00 H new ATOM 0 HB2 PRO A 103 3.178 -7.004 -15.776 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.727 -7.887 -16.206 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.157 -4.963 -16.105 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.891 -5.859 -16.921 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.652 -4.408 -14.459 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -0.580 -5.399 -15.216 1.00 0.00 H new ATOM 1587 N GLN A 104 2.730 -6.008 -12.307 1.00 0.00 N ATOM 1588 CA GLN A 104 3.758 -5.579 -11.372 1.00 0.00 C ATOM 1589 C GLN A 104 3.919 -6.608 -10.252 1.00 0.00 C ATOM 1590 O GLN A 104 4.988 -7.196 -10.093 1.00 0.00 O ATOM 1591 CB GLN A 104 3.439 -4.195 -10.805 1.00 0.00 C ATOM 1592 CG GLN A 104 3.207 -3.182 -11.928 1.00 0.00 C ATOM 1593 CD GLN A 104 4.441 -2.302 -12.137 1.00 0.00 C ATOM 1594 OE1 GLN A 104 5.505 -2.541 -11.589 1.00 0.00 O ATOM 1595 NE2 GLN A 104 4.241 -1.274 -12.957 1.00 0.00 N ATOM 0 H GLN A 104 1.831 -5.540 -12.196 1.00 0.00 H new ATOM 0 HA GLN A 104 4.704 -5.506 -11.909 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.552 -4.252 -10.173 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.260 -3.859 -10.172 1.00 0.00 H new ATOM 0 HG2 GLN A 104 2.970 -3.707 -12.853 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.347 -2.557 -11.687 1.00 0.00 H new ATOM 0 HE21 GLN A 104 3.325 -1.132 -13.382 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.004 -0.628 -13.160 1.00 0.00 H new ATOM 1604 N GLY A 105 2.842 -6.793 -9.503 1.00 0.00 N ATOM 1605 CA GLY A 105 2.850 -7.742 -8.401 1.00 0.00 C ATOM 1606 C GLY A 105 3.610 -7.177 -7.199 1.00 0.00 C ATOM 1607 O GLY A 105 4.541 -6.390 -7.362 1.00 0.00 O ATOM 0 H GLY A 105 1.958 -6.302 -9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.826 -7.977 -8.111 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.312 -8.675 -8.723 1.00 0.00 H new ATOM 1611 N ILE A 106 3.185 -7.602 -6.019 1.00 0.00 N ATOM 1612 CA ILE A 106 3.813 -7.148 -4.789 1.00 0.00 C ATOM 1613 C ILE A 106 5.332 -7.135 -4.974 1.00 0.00 C ATOM 1614 O ILE A 106 6.030 -6.345 -4.340 1.00 0.00 O ATOM 1615 CB ILE A 106 3.345 -7.996 -3.604 1.00 0.00 C ATOM 1616 CG1 ILE A 106 1.911 -7.638 -3.207 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.313 -7.873 -2.426 1.00 0.00 C ATOM 1618 CD1 ILE A 106 1.893 -6.501 -2.183 1.00 0.00 C ATOM 0 H ILE A 106 2.413 -8.256 -5.888 1.00 0.00 H new ATOM 0 HA ILE A 106 3.510 -6.127 -4.560 1.00 0.00 H new ATOM 0 HB ILE A 106 3.343 -9.042 -3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.347 -7.344 -4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.415 -8.515 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 106 3.957 -8.485 -1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.302 -8.214 -2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.370 -6.832 -2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.862 -6.266 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.437 -6.808 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.368 -5.618 -2.611 1.00 0.00 H new ATOM 1630 N ARG A 107 5.798 -8.018 -5.844 1.00 0.00 N ATOM 1631 CA ARG A 107 7.221 -8.117 -6.119 1.00 0.00 C ATOM 1632 C ARG A 107 7.851 -6.724 -6.173 1.00 0.00 C ATOM 1633 O ARG A 107 8.987 -6.534 -5.741 1.00 0.00 O ATOM 1634 CB ARG A 107 7.478 -8.837 -7.445 1.00 0.00 C ATOM 1635 CG ARG A 107 8.860 -9.490 -7.457 1.00 0.00 C ATOM 1636 CD ARG A 107 9.491 -9.414 -8.848 1.00 0.00 C ATOM 1637 NE ARG A 107 10.610 -10.379 -8.950 1.00 0.00 N ATOM 1638 CZ ARG A 107 11.082 -10.862 -10.107 1.00 0.00 C ATOM 1639 NH1 ARG A 107 10.535 -10.474 -11.268 1.00 0.00 N ATOM 1640 NH2 ARG A 107 12.100 -11.733 -10.105 1.00 0.00 N ATOM 0 H ARG A 107 5.216 -8.671 -6.368 1.00 0.00 H new ATOM 0 HA ARG A 107 7.674 -8.693 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.712 -9.596 -7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.400 -8.127 -8.269 1.00 0.00 H new ATOM 0 HG2 ARG A 107 9.507 -8.994 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 107 8.776 -10.532 -7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 107 8.741 -9.632 -9.609 1.00 0.00 H new ATOM 0 HD3 ARG A 107 9.853 -8.403 -9.037 1.00 0.00 H new ATOM 0 HE ARG A 107 11.049 -10.696 -8.085 1.00 0.00 H new ATOM 0 HH11 ARG A 107 9.760 -9.811 -11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 107 10.894 -10.842 -12.149 1.00 0.00 H new ATOM 0 HH21 ARG A 107 12.516 -12.029 -9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.459 -12.100 -10.986 1.00 0.00 H new ATOM 1654 N ALA A 108 7.085 -5.784 -6.708 1.00 0.00 N ATOM 1655 CA ALA A 108 7.553 -4.414 -6.824 1.00 0.00 C ATOM 1656 C ALA A 108 8.265 -4.010 -5.531 1.00 0.00 C ATOM 1657 O ALA A 108 9.244 -3.268 -5.563 1.00 0.00 O ATOM 1658 CB ALA A 108 6.372 -3.496 -7.149 1.00 0.00 C ATOM 0 H ALA A 108 6.143 -5.945 -7.066 1.00 0.00 H new ATOM 0 HA ALA A 108 8.272 -4.323 -7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.723 -2.468 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.919 -3.806 -8.091 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.631 -3.560 -6.352 1.00 0.00 H new ATOM 1664 N TRP A 109 7.745 -4.519 -4.423 1.00 0.00 N ATOM 1665 CA TRP A 109 8.318 -4.222 -3.123 1.00 0.00 C ATOM 1666 C TRP A 109 9.252 -5.373 -2.743 1.00 0.00 C ATOM 1667 O TRP A 109 8.991 -6.100 -1.786 1.00 0.00 O ATOM 1668 CB TRP A 109 7.223 -3.975 -2.084 1.00 0.00 C ATOM 1669 CG TRP A 109 6.281 -2.821 -2.435 1.00 0.00 C ATOM 1670 CD1 TRP A 109 6.514 -1.505 -2.331 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.939 -2.935 -2.955 1.00 0.00 C ATOM 1672 NE1 TRP A 109 5.424 -0.765 -2.743 1.00 0.00 N ATOM 1673 CE2 TRP A 109 4.437 -1.662 -3.134 1.00 0.00 C ATOM 1674 CE3 TRP A 109 4.175 -4.075 -3.261 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 3.151 -1.408 -3.628 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 2.893 -3.804 -3.754 1.00 0.00 C ATOM 1677 CH2 TRP A 109 2.372 -2.529 -3.941 1.00 0.00 C ATOM 0 H TRP A 109 6.933 -5.135 -4.400 1.00 0.00 H new ATOM 0 HA TRP A 109 8.898 -3.300 -3.160 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.636 -4.886 -1.966 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.690 -3.769 -1.121 1.00 0.00 H new ATOM 0 HD1 TRP A 109 7.438 -1.078 -1.970 1.00 0.00 H new ATOM 0 HE1 TRP A 109 5.356 0.253 -2.758 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.547 -5.080 -3.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.780 -0.402 -3.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 2.264 -4.645 -4.007 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.371 -2.403 -4.326 1.00 0.00 H new ATOM 1688 N VAL A 110 10.322 -5.502 -3.515 1.00 0.00 N ATOM 1689 CA VAL A 110 11.297 -6.552 -3.271 1.00 0.00 C ATOM 1690 C VAL A 110 11.520 -6.697 -1.765 1.00 0.00 C ATOM 1691 O VAL A 110 11.836 -7.783 -1.281 1.00 0.00 O ATOM 1692 CB VAL A 110 12.586 -6.258 -4.042 1.00 0.00 C ATOM 1693 CG1 VAL A 110 13.329 -5.067 -3.432 1.00 0.00 C ATOM 1694 CG2 VAL A 110 13.485 -7.494 -4.098 1.00 0.00 C ATOM 0 H VAL A 110 10.535 -4.898 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 110 10.926 -7.510 -3.637 1.00 0.00 H new ATOM 0 HB VAL A 110 12.313 -5.996 -5.064 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.241 -4.879 -3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 110 12.691 -4.184 -3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.584 -5.289 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 110 14.394 -7.258 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.746 -7.800 -3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.957 -8.306 -4.598 1.00 0.00 H new ATOM 1704 N ALA A 111 11.346 -5.585 -1.064 1.00 0.00 N ATOM 1705 CA ALA A 111 11.525 -5.574 0.378 1.00 0.00 C ATOM 1706 C ALA A 111 10.858 -6.814 0.979 1.00 0.00 C ATOM 1707 O ALA A 111 11.479 -7.546 1.748 1.00 0.00 O ATOM 1708 CB ALA A 111 10.962 -4.274 0.952 1.00 0.00 C ATOM 0 H ALA A 111 11.083 -4.686 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 111 12.584 -5.612 0.634 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.096 -4.266 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.488 -3.425 0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.900 -4.203 0.718 1.00 0.00 H new ATOM 1714 N TRP A 112 9.602 -7.010 0.606 1.00 0.00 N ATOM 1715 CA TRP A 112 8.844 -8.148 1.099 1.00 0.00 C ATOM 1716 C TRP A 112 9.628 -9.418 0.765 1.00 0.00 C ATOM 1717 O TRP A 112 9.701 -10.339 1.578 1.00 0.00 O ATOM 1718 CB TRP A 112 7.426 -8.153 0.526 1.00 0.00 C ATOM 1719 CG TRP A 112 6.955 -9.525 0.042 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.168 -10.401 0.683 1.00 0.00 C ATOM 1721 CD2 TRP A 112 7.272 -10.148 -1.221 1.00 0.00 C ATOM 1722 NE1 TRP A 112 5.958 -11.537 -0.070 1.00 0.00 N ATOM 1723 CE2 TRP A 112 6.651 -11.379 -1.265 1.00 0.00 C ATOM 1724 CE3 TRP A 112 8.058 -9.685 -2.290 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 6.751 -12.250 -2.357 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 8.150 -10.568 -3.374 1.00 0.00 C ATOM 1727 CH2 TRP A 112 7.530 -11.810 -3.434 1.00 0.00 C ATOM 0 H TRP A 112 9.090 -6.400 -0.032 1.00 0.00 H new ATOM 0 HA TRP A 112 8.720 -8.089 2.180 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.736 -7.792 1.288 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.379 -7.450 -0.306 1.00 0.00 H new ATOM 0 HD1 TRP A 112 5.751 -10.237 1.666 1.00 0.00 H new ATOM 0 HE1 TRP A 112 5.397 -12.345 0.200 1.00 0.00 H new ATOM 0 HE3 TRP A 112 8.552 -8.725 -2.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 6.254 -13.209 -2.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 8.744 -10.262 -4.222 1.00 0.00 H new ATOM 0 HH2 TRP A 112 7.648 -12.433 -4.308 1.00 0.00 H new ATOM 1738 N ARG A 113 10.195 -9.428 -0.433 1.00 0.00 N ATOM 1739 CA ARG A 113 10.971 -10.571 -0.885 1.00 0.00 C ATOM 1740 C ARG A 113 12.167 -10.799 0.040 1.00 0.00 C ATOM 1741 O ARG A 113 12.797 -11.855 -0.002 1.00 0.00 O ATOM 1742 CB ARG A 113 11.472 -10.365 -2.315 1.00 0.00 C ATOM 1743 CG ARG A 113 11.822 -11.703 -2.972 1.00 0.00 C ATOM 1744 CD ARG A 113 12.786 -11.503 -4.142 1.00 0.00 C ATOM 1745 NE ARG A 113 13.444 -12.785 -4.479 1.00 0.00 N ATOM 1746 CZ ARG A 113 12.913 -13.715 -5.285 1.00 0.00 C ATOM 1747 NH1 ARG A 113 11.711 -13.510 -5.841 1.00 0.00 N ATOM 1748 NH2 ARG A 113 13.582 -14.847 -5.534 1.00 0.00 N ATOM 0 H ARG A 113 10.132 -8.663 -1.104 1.00 0.00 H new ATOM 0 HA ARG A 113 10.319 -11.444 -0.863 1.00 0.00 H new ATOM 0 HB2 ARG A 113 10.707 -9.856 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.350 -9.719 -2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 113 12.272 -12.368 -2.235 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.912 -12.188 -3.325 1.00 0.00 H new ATOM 0 HD2 ARG A 113 12.245 -11.123 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 113 13.537 -10.756 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 113 14.360 -12.973 -4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 113 11.201 -12.647 -5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 113 11.306 -14.217 -6.455 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.497 -15.003 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 113 13.177 -15.554 -6.147 1.00 0.00 H new ATOM 1762 N ALA A 114 12.447 -9.790 0.854 1.00 0.00 N ATOM 1763 CA ALA A 114 13.558 -9.868 1.787 1.00 0.00 C ATOM 1764 C ALA A 114 13.064 -9.512 3.191 1.00 0.00 C ATOM 1765 O ALA A 114 13.799 -8.922 3.980 1.00 0.00 O ATOM 1766 CB ALA A 114 14.686 -8.947 1.315 1.00 0.00 C ATOM 0 H ALA A 114 11.924 -8.915 0.886 1.00 0.00 H new ATOM 0 HA ALA A 114 13.958 -10.881 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.520 -9.005 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.020 -9.259 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.322 -7.921 1.268 1.00 0.00 H new ATOM 1772 N HIS A 115 11.822 -9.888 3.459 1.00 0.00 N ATOM 1773 CA HIS A 115 11.222 -9.617 4.754 1.00 0.00 C ATOM 1774 C HIS A 115 10.188 -10.698 5.077 1.00 0.00 C ATOM 1775 O HIS A 115 10.159 -11.222 6.189 1.00 0.00 O ATOM 1776 CB HIS A 115 10.636 -8.205 4.797 1.00 0.00 C ATOM 1777 CG HIS A 115 11.047 -7.405 6.010 1.00 0.00 C ATOM 1778 ND1 HIS A 115 12.371 -7.177 6.344 1.00 0.00 N ATOM 1779 CD2 HIS A 115 10.296 -6.783 6.963 1.00 0.00 C ATOM 1780 CE1 HIS A 115 12.403 -6.450 7.451 1.00 0.00 C ATOM 1781 NE2 HIS A 115 11.117 -6.206 7.833 1.00 0.00 N ATOM 0 H HIS A 115 11.215 -10.378 2.802 1.00 0.00 H new ATOM 0 HA HIS A 115 11.988 -9.653 5.528 1.00 0.00 H new ATOM 0 HB2 HIS A 115 10.943 -7.668 3.900 1.00 0.00 H new ATOM 0 HB3 HIS A 115 9.548 -8.273 4.771 1.00 0.00 H new ATOM 0 HD2 HIS A 115 9.217 -6.763 7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.292 -6.110 7.961 1.00 0.00 H new ATOM 0 HE2 HIS A 115 10.832 -5.669 8.652 1.00 0.00 H new ATOM 1790 N CYS A 116 9.364 -10.998 4.083 1.00 0.00 N ATOM 1791 CA CYS A 116 8.331 -12.008 4.248 1.00 0.00 C ATOM 1792 C CYS A 116 8.922 -13.366 3.868 1.00 0.00 C ATOM 1793 O CYS A 116 8.868 -14.313 4.654 1.00 0.00 O ATOM 1794 CB CYS A 116 7.084 -11.679 3.425 1.00 0.00 C ATOM 1795 SG CYS A 116 5.589 -11.310 4.414 1.00 0.00 S ATOM 0 H CYS A 116 9.390 -10.560 3.162 1.00 0.00 H new ATOM 0 HA CYS A 116 8.005 -12.033 5.288 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.302 -10.822 2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 116 6.868 -12.520 2.766 1.00 0.00 H new ATOM 1800 N GLN A 117 9.474 -13.421 2.665 1.00 0.00 N ATOM 1801 CA GLN A 117 10.075 -14.649 2.171 1.00 0.00 C ATOM 1802 C GLN A 117 11.406 -14.910 2.880 1.00 0.00 C ATOM 1803 O GLN A 117 12.442 -15.047 2.231 1.00 0.00 O ATOM 1804 CB GLN A 117 10.262 -14.597 0.654 1.00 0.00 C ATOM 1805 CG GLN A 117 9.276 -15.530 -0.052 1.00 0.00 C ATOM 1806 CD GLN A 117 9.971 -16.810 -0.519 1.00 0.00 C ATOM 1807 OE1 GLN A 117 10.408 -16.933 -1.651 1.00 0.00 O ATOM 1808 NE2 GLN A 117 10.049 -17.754 0.415 1.00 0.00 N ATOM 0 H GLN A 117 9.518 -12.634 2.017 1.00 0.00 H new ATOM 0 HA GLN A 117 9.400 -15.476 2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.118 -13.576 0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.283 -14.881 0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.459 -15.781 0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.835 -15.019 -0.908 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.662 -17.586 1.344 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.496 -18.646 0.202 1.00 0.00 H new ATOM 1817 N ASN A 118 11.335 -14.971 4.202 1.00 0.00 N ATOM 1818 CA ASN A 118 12.521 -15.213 5.004 1.00 0.00 C ATOM 1819 C ASN A 118 12.130 -15.991 6.263 1.00 0.00 C ATOM 1820 O ASN A 118 12.640 -17.083 6.505 1.00 0.00 O ATOM 1821 CB ASN A 118 13.166 -13.898 5.444 1.00 0.00 C ATOM 1822 CG ASN A 118 14.693 -14.007 5.438 1.00 0.00 C ATOM 1823 OD1 ASN A 118 15.307 -14.524 6.355 1.00 0.00 O ATOM 1824 ND2 ASN A 118 15.268 -13.494 4.354 1.00 0.00 N ATOM 0 H ASN A 118 10.474 -14.857 4.737 1.00 0.00 H new ATOM 0 HA ASN A 118 13.229 -15.777 4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 118 12.853 -13.094 4.778 1.00 0.00 H new ATOM 0 HB3 ASN A 118 12.820 -13.636 6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 118 16.283 -13.520 4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 118 14.694 -13.075 3.622 1.00 0.00 H new ATOM 1831 N ARG A 119 11.228 -15.397 7.030 1.00 0.00 N ATOM 1832 CA ARG A 119 10.762 -16.020 8.258 1.00 0.00 C ATOM 1833 C ARG A 119 9.233 -16.040 8.296 1.00 0.00 C ATOM 1834 O ARG A 119 8.580 -15.746 7.295 1.00 0.00 O ATOM 1835 CB ARG A 119 11.287 -15.275 9.487 1.00 0.00 C ATOM 1836 CG ARG A 119 11.527 -16.238 10.652 1.00 0.00 C ATOM 1837 CD ARG A 119 12.954 -16.106 11.185 1.00 0.00 C ATOM 1838 NE ARG A 119 13.536 -17.449 11.407 1.00 0.00 N ATOM 1839 CZ ARG A 119 13.916 -18.276 10.424 1.00 0.00 C ATOM 1840 NH1 ARG A 119 13.776 -17.903 9.144 1.00 0.00 N ATOM 1841 NH2 ARG A 119 14.434 -19.475 10.719 1.00 0.00 N ATOM 0 H ARG A 119 10.807 -14.491 6.825 1.00 0.00 H new ATOM 0 HA ARG A 119 11.142 -17.041 8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.216 -14.763 9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 119 10.571 -14.509 9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 119 10.816 -16.032 11.452 1.00 0.00 H new ATOM 0 HG3 ARG A 119 11.350 -17.262 10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 119 13.566 -15.548 10.476 1.00 0.00 H new ATOM 0 HD3 ARG A 119 12.952 -15.542 12.118 1.00 0.00 H new ATOM 0 HE ARG A 119 13.655 -17.765 12.370 1.00 0.00 H new ATOM 0 HH11 ARG A 119 13.380 -16.990 8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 119 14.065 -18.532 8.395 1.00 0.00 H new ATOM 0 HH21 ARG A 119 14.540 -19.759 11.693 1.00 0.00 H new ATOM 0 HH22 ARG A 119 14.723 -20.104 9.970 1.00 0.00 H new ATOM 1855 N ASP A 120 8.707 -16.391 9.460 1.00 0.00 N ATOM 1856 CA ASP A 120 7.266 -16.454 9.641 1.00 0.00 C ATOM 1857 C ASP A 120 6.757 -15.093 10.121 1.00 0.00 C ATOM 1858 O ASP A 120 6.883 -14.759 11.298 1.00 0.00 O ATOM 1859 CB ASP A 120 6.889 -17.497 10.694 1.00 0.00 C ATOM 1860 CG ASP A 120 5.399 -17.839 10.761 1.00 0.00 C ATOM 1861 OD1 ASP A 120 4.828 -18.100 9.680 1.00 0.00 O ATOM 1862 OD2 ASP A 120 4.865 -17.833 11.891 1.00 0.00 O ATOM 0 H ASP A 120 9.252 -16.635 10.287 1.00 0.00 H new ATOM 0 HA ASP A 120 6.817 -16.727 8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 120 7.448 -18.411 10.494 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.208 -17.136 11.672 1.00 0.00 H new ATOM 1867 N LEU A 121 6.192 -14.346 9.185 1.00 0.00 N ATOM 1868 CA LEU A 121 5.663 -13.028 9.497 1.00 0.00 C ATOM 1869 C LEU A 121 4.191 -13.155 9.894 1.00 0.00 C ATOM 1870 O LEU A 121 3.491 -12.153 10.024 1.00 0.00 O ATOM 1871 CB LEU A 121 5.905 -12.064 8.334 1.00 0.00 C ATOM 1872 CG LEU A 121 5.841 -10.574 8.674 1.00 0.00 C ATOM 1873 CD1 LEU A 121 4.392 -10.085 8.725 1.00 0.00 C ATOM 1874 CD2 LEU A 121 6.593 -10.275 9.972 1.00 0.00 C ATOM 0 H LEU A 121 6.088 -14.627 8.210 1.00 0.00 H new ATOM 0 HA LEU A 121 6.188 -12.599 10.350 1.00 0.00 H new ATOM 0 HB2 LEU A 121 6.886 -12.278 7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.169 -12.271 7.557 1.00 0.00 H new ATOM 0 HG LEU A 121 6.340 -10.020 7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 121 4.375 -9.023 8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 121 3.920 -10.242 7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 121 3.847 -10.641 9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.532 -9.209 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 121 6.145 -10.839 10.790 1.00 0.00 H new ATOM 0 HD23 LEU A 121 7.638 -10.563 9.862 1.00 0.00 H new ATOM 1886 N SER A 122 3.765 -14.398 10.074 1.00 0.00 N ATOM 1887 CA SER A 122 2.388 -14.669 10.453 1.00 0.00 C ATOM 1888 C SER A 122 2.186 -14.367 11.940 1.00 0.00 C ATOM 1889 O SER A 122 1.066 -14.108 12.377 1.00 0.00 O ATOM 1890 CB SER A 122 2.010 -16.120 10.150 1.00 0.00 C ATOM 1891 OG SER A 122 0.958 -16.208 9.192 1.00 0.00 O ATOM 0 H SER A 122 4.349 -15.227 9.964 1.00 0.00 H new ATOM 0 HA SER A 122 1.737 -14.022 9.866 1.00 0.00 H new ATOM 0 HB2 SER A 122 2.885 -16.653 9.778 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.704 -16.615 11.072 1.00 0.00 H new ATOM 0 HG SER A 122 0.747 -17.150 9.024 1.00 0.00 H new ATOM 1897 N GLN A 123 3.288 -14.412 12.675 1.00 0.00 N ATOM 1898 CA GLN A 123 3.245 -14.146 14.103 1.00 0.00 C ATOM 1899 C GLN A 123 2.940 -12.669 14.359 1.00 0.00 C ATOM 1900 O GLN A 123 2.613 -12.285 15.481 1.00 0.00 O ATOM 1901 CB GLN A 123 4.555 -14.560 14.777 1.00 0.00 C ATOM 1902 CG GLN A 123 4.431 -14.499 16.301 1.00 0.00 C ATOM 1903 CD GLN A 123 4.293 -15.901 16.896 1.00 0.00 C ATOM 1904 OE1 GLN A 123 4.435 -16.907 16.221 1.00 0.00 O ATOM 1905 NE2 GLN A 123 4.009 -15.912 18.196 1.00 0.00 N ATOM 0 H GLN A 123 4.215 -14.628 12.309 1.00 0.00 H new ATOM 0 HA GLN A 123 2.445 -14.743 14.540 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.822 -15.571 14.471 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.361 -13.904 14.448 1.00 0.00 H new ATOM 0 HG2 GLN A 123 5.308 -14.006 16.721 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.565 -13.897 16.575 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.903 -15.033 18.702 1.00 0.00 H new ATOM 0 HE22 GLN A 123 3.897 -16.800 18.686 1.00 0.00 H new ATOM 1914 N TYR A 124 3.057 -11.881 13.301 1.00 0.00 N ATOM 1915 CA TYR A 124 2.797 -10.455 13.398 1.00 0.00 C ATOM 1916 C TYR A 124 1.294 -10.171 13.423 1.00 0.00 C ATOM 1917 O TYR A 124 0.848 -9.227 14.072 1.00 0.00 O ATOM 1918 CB TYR A 124 3.399 -9.830 12.138 1.00 0.00 C ATOM 1919 CG TYR A 124 4.151 -8.522 12.391 1.00 0.00 C ATOM 1920 CD1 TYR A 124 5.262 -8.511 13.209 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.717 -7.352 11.800 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.968 -7.278 13.446 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.423 -6.120 12.038 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.515 -6.144 12.850 1.00 0.00 C ATOM 1925 OH TYR A 124 6.182 -4.981 13.073 1.00 0.00 O ATOM 0 H TYR A 124 3.328 -12.203 12.372 1.00 0.00 H new ATOM 0 HA TYR A 124 3.227 -10.049 14.314 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.081 -10.546 11.680 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.601 -9.645 11.419 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.602 -9.426 13.671 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.848 -7.361 11.159 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.839 -7.255 14.084 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.094 -5.198 11.583 1.00 0.00 H new ATOM 0 HH TYR A 124 5.905 -4.313 12.411 1.00 0.00 H new ATOM 1935 N ILE A 125 0.554 -11.007 12.710 1.00 0.00 N ATOM 1936 CA ILE A 125 -0.890 -10.859 12.642 1.00 0.00 C ATOM 1937 C ILE A 125 -1.538 -11.718 13.729 1.00 0.00 C ATOM 1938 O ILE A 125 -2.548 -11.328 14.312 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.395 -11.169 11.231 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -1.024 -12.595 10.816 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.891 -10.131 10.228 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -2.034 -13.155 9.815 1.00 0.00 C ATOM 0 H ILE A 125 0.928 -11.790 12.174 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.176 -9.826 12.838 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.483 -11.109 11.237 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.027 -12.601 10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.986 -13.236 11.697 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.264 -10.375 9.233 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.248 -9.142 10.517 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.199 -10.135 10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.747 -14.169 9.537 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.025 -13.170 10.268 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.051 -12.526 8.925 1.00 0.00 H new ATOM 1954 N ARG A 126 -0.929 -12.870 13.971 1.00 0.00 N ATOM 1955 CA ARG A 126 -1.434 -13.786 14.978 1.00 0.00 C ATOM 1956 C ARG A 126 -1.442 -13.113 16.353 1.00 0.00 C ATOM 1957 O ARG A 126 -0.386 -12.877 16.939 1.00 0.00 O ATOM 1958 CB ARG A 126 -0.581 -15.055 15.046 1.00 0.00 C ATOM 1959 CG ARG A 126 -1.061 -15.979 16.166 1.00 0.00 C ATOM 1960 CD ARG A 126 -1.522 -17.327 15.606 1.00 0.00 C ATOM 1961 NE ARG A 126 -2.995 -17.434 15.694 1.00 0.00 N ATOM 1962 CZ ARG A 126 -3.677 -18.575 15.519 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -3.023 -19.711 15.245 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -5.014 -18.579 15.618 1.00 0.00 N ATOM 0 H ARG A 126 -0.090 -13.189 13.486 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.451 -14.059 14.697 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.627 -15.580 14.092 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.462 -14.788 15.213 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -0.255 -16.136 16.883 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.881 -15.506 16.706 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -1.203 -17.427 14.569 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.056 -18.140 16.163 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.525 -16.587 15.901 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.006 -19.708 15.169 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.542 -20.579 15.112 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.513 -17.714 15.826 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -5.533 -19.447 15.485 1.00 0.00 H new ATOM 1978 N ASN A 127 -2.644 -12.822 16.826 1.00 0.00 N ATOM 1979 CA ASN A 127 -2.804 -12.180 18.120 1.00 0.00 C ATOM 1980 C ASN A 127 -2.587 -10.673 17.967 1.00 0.00 C ATOM 1981 O ASN A 127 -2.217 -9.995 18.925 1.00 0.00 O ATOM 1982 CB ASN A 127 -1.778 -12.706 19.127 1.00 0.00 C ATOM 1983 CG ASN A 127 -2.246 -12.466 20.563 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -3.429 -12.386 20.853 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -1.255 -12.356 21.443 1.00 0.00 N ATOM 0 H ASN A 127 -3.517 -13.019 16.337 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.809 -12.397 18.482 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -1.619 -13.772 18.966 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -0.819 -12.213 18.966 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -1.463 -12.195 22.428 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -0.286 -12.433 21.133 1.00 0.00 H new ATOM 1992 N CYS A 128 -2.826 -10.193 16.756 1.00 0.00 N ATOM 1993 CA CYS A 128 -2.661 -8.779 16.466 1.00 0.00 C ATOM 1994 C CYS A 128 -4.014 -8.089 16.651 1.00 0.00 C ATOM 1995 O CYS A 128 -4.075 -6.942 17.090 1.00 0.00 O ATOM 1996 CB CYS A 128 -2.091 -8.551 15.064 1.00 0.00 C ATOM 1997 SG CYS A 128 -0.975 -7.110 14.913 1.00 0.00 S ATOM 0 H CYS A 128 -3.133 -10.758 15.964 1.00 0.00 H new ATOM 0 HA CYS A 128 -1.936 -8.346 17.156 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -1.549 -9.446 14.758 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -2.919 -8.426 14.367 1.00 0.00 H new ATOM 2002 N GLY A 129 -5.065 -8.819 16.307 1.00 0.00 N ATOM 2003 CA GLY A 129 -6.414 -8.291 16.430 1.00 0.00 C ATOM 2004 C GLY A 129 -7.431 -9.234 15.785 1.00 0.00 C ATOM 2005 O GLY A 129 -8.565 -9.342 16.251 1.00 0.00 O ATOM 0 H GLY A 129 -5.010 -9.770 15.944 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -6.659 -8.151 17.483 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -6.470 -7.311 15.956 1.00 0.00 H new ATOM 2009 N VAL A 130 -6.990 -9.894 14.725 1.00 0.00 N ATOM 2010 CA VAL A 130 -7.849 -10.824 14.011 1.00 0.00 C ATOM 2011 C VAL A 130 -7.699 -12.219 14.621 1.00 0.00 C ATOM 2012 O VAL A 130 -8.315 -12.524 15.642 1.00 0.00 O ATOM 2013 CB VAL A 130 -7.531 -10.788 12.515 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -8.020 -12.061 11.820 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -8.127 -9.542 11.858 1.00 0.00 C ATOM 0 H VAL A 130 -6.049 -9.804 14.343 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.895 -10.534 14.114 1.00 0.00 H new ATOM 0 HB VAL A 130 -6.448 -10.740 12.404 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.782 -12.010 10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -7.528 -12.928 12.261 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -9.099 -12.153 11.946 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -7.886 -9.541 10.795 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -9.210 -9.546 11.985 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -7.710 -8.650 12.325 1.00 0.00 H new TER 2025 VAL A 130