USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HE2:sc= -1.85 K(o=-1.8,f=-3.7) USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= 0.0278 USER MOD Set 2.1: A 74 ASN : amide:sc= -4.93! C(o=-5.1!,f=-9.3!) USER MOD Set 2.2: A 77 ASN :FLIP amide:sc= -0.186 F(o=-10!,f=-5.1) USER MOD Set 3.1: A 46 ASN : amide:sc= 0.00698 K(o=0.63,f=-0.89) USER MOD Set 3.2: A 50 SER OG : rot 37:sc= 0.627 USER MOD Set 4.1: A 24 SER OG : rot -18:sc= 1.21 USER MOD Set 4.2: A 27 ASN : amide:sc= -2.06! C(o=-0.86!,f=-6.8!) USER MOD Single : A 1 LYS N :NH3+ -120:sc= -2.39! (180deg=-5.77!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -165:sc= -11.6! (180deg=-12!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc=-0.00201 F(o=-2.6!,f=-0.002) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -89:sc= -3.05! USER MOD Single : A 37 ASN : amide:sc= -0.017 X(o=-0.017,f=-0.18) USER MOD Single : A 39 ASN :FLIP amide:sc= -3.39! C(o=-5!,f=-3.4!) USER MOD Single : A 40 THR OG1 : rot 150:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.716 K(o=-0.72,f=-2.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc=-0.00427 X(o=-0.0043,f=-0.086) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -9:sc= -0.153 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.92! C(o=-1.9!,f=-1.8!) USER MOD Single : A 59 ASN : amide:sc= -3.88! C(o=-3.9!,f=-9.3!) USER MOD Single : A 60 SER OG : rot -110:sc= 1.38 USER MOD Single : A 65 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.016) USER MOD Single : A 69 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 72 SER OG : rot -89:sc= -1.48! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -40:sc= 0.434 USER MOD Single : A 91 SER OG : rot -170:sc= -2.01 USER MOD Single : A 93 ASN : amide:sc= -0.0574 K(o=-0.057,f=-2.7!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -33:sc= 0.234 USER MOD Single : A 103 ASN : amide:sc= -1.55 K(o=-1.5,f=-2.6!) USER MOD Single : A 105 MET CE :methyl -149:sc= -1.27 (180deg=-4.11) USER MOD Single : A 106 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.33) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -57:sc= 0.416 USER MOD Single : A 121 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.263 -9.350 0.810 1.00 0.00 N ATOM 2 CA LYS A 1 -5.980 -10.048 0.537 1.00 0.00 C ATOM 3 C LYS A 1 -4.798 -9.087 0.625 1.00 0.00 C ATOM 4 O LYS A 1 -4.754 -8.076 -0.077 1.00 0.00 O ATOM 5 CB LYS A 1 -6.049 -10.672 -0.857 1.00 0.00 C ATOM 6 CG LYS A 1 -6.937 -11.904 -0.929 1.00 0.00 C ATOM 7 CD LYS A 1 -6.114 -13.176 -1.048 1.00 0.00 C ATOM 8 CE LYS A 1 -6.318 -13.847 -2.398 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.325 -15.331 -2.285 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.725 -9.783 1.635 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.077 -8.345 1.004 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.886 -9.433 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.830 -10.823 1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.418 -9.927 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.042 -10.941 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.562 -11.956 -0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.607 -11.821 -1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.058 -12.942 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -6.392 -13.866 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.260 -13.512 -2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.526 -13.539 -3.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.466 -15.750 -3.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.416 -15.654 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.097 -15.628 -1.654 1.00 0.00 H new ATOM 25 N VAL A 2 -3.844 -9.409 1.492 1.00 0.00 N ATOM 26 CA VAL A 2 -2.661 -8.575 1.672 1.00 0.00 C ATOM 27 C VAL A 2 -1.408 -9.274 1.152 1.00 0.00 C ATOM 28 O VAL A 2 -1.117 -10.407 1.538 1.00 0.00 O ATOM 29 CB VAL A 2 -2.451 -8.205 3.158 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.140 -7.460 3.352 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.608 -7.368 3.672 1.00 0.00 C ATOM 0 H VAL A 2 -3.867 -10.241 2.081 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.829 -7.663 1.099 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.410 -9.132 3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.016 -7.211 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.312 -8.090 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.151 -6.544 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.440 -7.119 4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.681 -6.451 3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.536 -7.933 3.578 1.00 0.00 H new ATOM 41 N PHE A 3 -0.656 -8.588 0.291 1.00 0.00 N ATOM 42 CA PHE A 3 0.575 -9.148 -0.251 1.00 0.00 C ATOM 43 C PHE A 3 1.693 -9.060 0.779 1.00 0.00 C ATOM 44 O PHE A 3 1.491 -8.570 1.889 1.00 0.00 O ATOM 45 CB PHE A 3 1.018 -8.390 -1.508 1.00 0.00 C ATOM 46 CG PHE A 3 0.034 -8.404 -2.644 1.00 0.00 C ATOM 47 CD1 PHE A 3 -1.089 -9.215 -2.621 1.00 0.00 C ATOM 48 CD2 PHE A 3 0.247 -7.592 -3.745 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.980 -9.215 -3.676 1.00 0.00 C ATOM 50 CE2 PHE A 3 -0.638 -7.588 -4.801 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.754 -8.399 -4.769 1.00 0.00 C ATOM 0 H PHE A 3 -0.878 -7.650 -0.042 1.00 0.00 H new ATOM 0 HA PHE A 3 0.377 -10.189 -0.505 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.220 -7.354 -1.236 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.958 -8.817 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -1.269 -9.854 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 3 1.118 -6.954 -3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.852 -9.851 -3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -0.458 -6.950 -5.654 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.449 -8.396 -5.596 1.00 0.00 H new ATOM 61 N GLY A 4 2.876 -9.519 0.394 1.00 0.00 N ATOM 62 CA GLY A 4 4.018 -9.463 1.281 1.00 0.00 C ATOM 63 C GLY A 4 4.988 -8.378 0.860 1.00 0.00 C ATOM 64 O GLY A 4 4.577 -7.355 0.311 1.00 0.00 O ATOM 0 H GLY A 4 3.064 -9.930 -0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.681 -9.277 2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.526 -10.427 1.284 1.00 0.00 H new ATOM 68 N ARG A 5 6.274 -8.594 1.105 1.00 0.00 N ATOM 69 CA ARG A 5 7.288 -7.615 0.734 1.00 0.00 C ATOM 70 C ARG A 5 7.817 -7.880 -0.665 1.00 0.00 C ATOM 71 O ARG A 5 7.736 -7.016 -1.540 1.00 0.00 O ATOM 72 CB ARG A 5 8.438 -7.623 1.744 1.00 0.00 C ATOM 73 CG ARG A 5 9.131 -6.277 1.886 1.00 0.00 C ATOM 74 CD ARG A 5 9.669 -6.075 3.292 1.00 0.00 C ATOM 75 NE ARG A 5 8.604 -6.079 4.291 1.00 0.00 N ATOM 76 CZ ARG A 5 8.639 -6.806 5.404 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.681 -7.586 5.658 1.00 0.00 N ATOM 78 NH2 ARG A 5 7.631 -6.755 6.264 1.00 0.00 N ATOM 0 H ARG A 5 6.638 -9.433 1.556 1.00 0.00 H new ATOM 0 HA ARG A 5 6.821 -6.630 0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.054 -7.929 2.717 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.172 -8.370 1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.949 -6.210 1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.430 -5.478 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.385 -6.863 3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.209 -5.129 3.341 1.00 0.00 H new ATOM 0 HE ARG A 5 7.787 -5.491 4.126 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.458 -7.629 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.705 -8.143 6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.827 -6.157 6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.660 -7.313 7.117 1.00 0.00 H new ATOM 92 N CYS A 6 8.362 -9.070 -0.879 1.00 0.00 N ATOM 93 CA CYS A 6 8.899 -9.418 -2.183 1.00 0.00 C ATOM 94 C CYS A 6 7.802 -9.869 -3.130 1.00 0.00 C ATOM 95 O CYS A 6 7.836 -9.548 -4.310 1.00 0.00 O ATOM 96 CB CYS A 6 9.959 -10.502 -2.067 1.00 0.00 C ATOM 97 SG CYS A 6 10.991 -10.377 -0.573 1.00 0.00 S ATOM 0 H CYS A 6 8.443 -9.802 -0.173 1.00 0.00 H new ATOM 0 HA CYS A 6 9.360 -8.519 -2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.470 -11.476 -2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.603 -10.460 -2.945 1.00 0.00 H new ATOM 102 N GLU A 7 6.823 -10.607 -2.613 1.00 0.00 N ATOM 103 CA GLU A 7 5.720 -11.072 -3.447 1.00 0.00 C ATOM 104 C GLU A 7 5.236 -9.928 -4.323 1.00 0.00 C ATOM 105 O GLU A 7 5.180 -10.039 -5.552 1.00 0.00 O ATOM 106 CB GLU A 7 4.574 -11.600 -2.581 1.00 0.00 C ATOM 107 CG GLU A 7 3.685 -12.605 -3.296 1.00 0.00 C ATOM 108 CD GLU A 7 2.399 -12.883 -2.543 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.453 -13.594 -1.517 1.00 0.00 O ATOM 110 OE2 GLU A 7 1.337 -12.391 -2.979 1.00 0.00 O ATOM 0 H GLU A 7 6.771 -10.892 -1.635 1.00 0.00 H new ATOM 0 HA GLU A 7 6.070 -11.889 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.990 -12.066 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.964 -10.760 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.446 -12.230 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.232 -13.538 -3.430 1.00 0.00 H new ATOM 117 N LEU A 8 4.925 -8.809 -3.680 1.00 0.00 N ATOM 118 CA LEU A 8 4.484 -7.631 -4.398 1.00 0.00 C ATOM 119 C LEU A 8 5.622 -7.070 -5.240 1.00 0.00 C ATOM 120 O LEU A 8 5.386 -6.597 -6.348 1.00 0.00 O ATOM 121 CB LEU A 8 3.973 -6.549 -3.442 1.00 0.00 C ATOM 122 CG LEU A 8 3.849 -5.155 -4.068 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.674 -5.101 -5.033 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.704 -4.088 -2.994 1.00 0.00 C ATOM 0 H LEU A 8 4.971 -8.698 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 8 3.661 -7.931 -5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.997 -6.850 -3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.646 -6.491 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 8 4.764 -4.955 -4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.604 -4.103 -5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.822 -5.832 -5.828 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.753 -5.329 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.618 -3.108 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.810 -4.287 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.580 -4.103 -2.345 1.00 0.00 H new ATOM 136 N ALA A 9 6.858 -7.132 -4.722 1.00 0.00 N ATOM 137 CA ALA A 9 8.009 -6.618 -5.461 1.00 0.00 C ATOM 138 C ALA A 9 8.177 -7.339 -6.789 1.00 0.00 C ATOM 139 O ALA A 9 8.233 -6.705 -7.840 1.00 0.00 O ATOM 140 CB ALA A 9 9.275 -6.725 -4.632 1.00 0.00 C ATOM 0 H ALA A 9 7.079 -7.527 -3.808 1.00 0.00 H new ATOM 0 HA ALA A 9 7.824 -5.565 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.118 -6.336 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.160 -6.146 -3.716 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.458 -7.770 -4.381 1.00 0.00 H new ATOM 146 N ALA A 10 8.244 -8.667 -6.743 1.00 0.00 N ATOM 147 CA ALA A 10 8.382 -9.456 -7.955 1.00 0.00 C ATOM 148 C ALA A 10 7.329 -9.020 -8.957 1.00 0.00 C ATOM 149 O ALA A 10 7.599 -8.907 -10.154 1.00 0.00 O ATOM 150 CB ALA A 10 8.252 -10.939 -7.647 1.00 0.00 C ATOM 0 H ALA A 10 8.205 -9.213 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 10 9.372 -9.292 -8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.358 -11.513 -8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.031 -11.234 -6.944 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.274 -11.135 -7.208 1.00 0.00 H new ATOM 156 N ALA A 11 6.128 -8.753 -8.450 1.00 0.00 N ATOM 157 CA ALA A 11 5.038 -8.302 -9.300 1.00 0.00 C ATOM 158 C ALA A 11 5.365 -6.952 -9.904 1.00 0.00 C ATOM 159 O ALA A 11 5.048 -6.671 -11.060 1.00 0.00 O ATOM 160 CB ALA A 11 3.732 -8.250 -8.521 1.00 0.00 C ATOM 0 H ALA A 11 5.889 -8.841 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 11 4.913 -9.018 -10.112 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.930 -7.910 -9.177 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.494 -9.244 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.834 -7.558 -7.685 1.00 0.00 H new ATOM 166 N MET A 12 6.012 -6.133 -9.104 1.00 0.00 N ATOM 167 CA MET A 12 6.420 -4.794 -9.530 1.00 0.00 C ATOM 168 C MET A 12 7.361 -4.883 -10.721 1.00 0.00 C ATOM 169 O MET A 12 7.159 -4.221 -11.738 1.00 0.00 O ATOM 170 CB MET A 12 7.127 -4.046 -8.400 1.00 0.00 C ATOM 171 CG MET A 12 6.435 -4.148 -7.056 1.00 0.00 C ATOM 172 SD MET A 12 4.748 -3.523 -7.099 1.00 0.00 S ATOM 173 CE MET A 12 5.066 -1.782 -7.349 1.00 0.00 C ATOM 0 H MET A 12 6.273 -6.365 -8.146 1.00 0.00 H new ATOM 0 HA MET A 12 5.518 -4.249 -9.808 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.142 -4.432 -8.303 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.211 -2.994 -8.673 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.425 -5.189 -6.735 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.006 -3.591 -6.314 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.161 -1.213 -7.136 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.864 -1.458 -6.681 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.367 -1.612 -8.383 1.00 0.00 H new ATOM 183 N LYS A 13 8.394 -5.710 -10.579 1.00 0.00 N ATOM 184 CA LYS A 13 9.376 -5.897 -11.638 1.00 0.00 C ATOM 185 C LYS A 13 8.675 -6.205 -12.950 1.00 0.00 C ATOM 186 O LYS A 13 8.971 -5.605 -13.984 1.00 0.00 O ATOM 187 CB LYS A 13 10.343 -7.028 -11.280 1.00 0.00 C ATOM 188 CG LYS A 13 11.780 -6.568 -11.103 1.00 0.00 C ATOM 189 CD LYS A 13 12.699 -7.204 -12.133 1.00 0.00 C ATOM 190 CE LYS A 13 13.920 -6.338 -12.400 1.00 0.00 C ATOM 191 NZ LYS A 13 15.012 -6.602 -11.423 1.00 0.00 N ATOM 0 H LYS A 13 8.571 -6.261 -9.739 1.00 0.00 H new ATOM 0 HA LYS A 13 9.947 -4.975 -11.748 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.007 -7.504 -10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.307 -7.786 -12.062 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.829 -5.483 -11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.124 -6.823 -10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.017 -8.185 -11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.152 -7.361 -13.063 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.284 -6.525 -13.410 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.637 -5.287 -12.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.826 -5.992 -11.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.673 -6.399 -10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.300 -7.599 -11.486 1.00 0.00 H new ATOM 205 N ARG A 14 7.733 -7.138 -12.894 1.00 0.00 N ATOM 206 CA ARG A 14 6.975 -7.520 -14.073 1.00 0.00 C ATOM 207 C ARG A 14 6.143 -6.343 -14.562 1.00 0.00 C ATOM 208 O ARG A 14 5.993 -6.137 -15.767 1.00 0.00 O ATOM 209 CB ARG A 14 6.068 -8.712 -13.762 1.00 0.00 C ATOM 210 CG ARG A 14 5.605 -9.463 -14.999 1.00 0.00 C ATOM 211 CD ARG A 14 4.148 -9.169 -15.317 1.00 0.00 C ATOM 212 NE ARG A 14 3.749 -9.715 -16.611 1.00 0.00 N ATOM 213 CZ ARG A 14 2.810 -10.645 -16.761 1.00 0.00 C ATOM 214 NH1 ARG A 14 2.176 -11.129 -15.702 1.00 0.00 N ATOM 215 NH2 ARG A 14 2.504 -11.091 -17.972 1.00 0.00 N ATOM 0 H ARG A 14 7.478 -7.642 -12.045 1.00 0.00 H new ATOM 0 HA ARG A 14 7.674 -7.811 -14.857 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.600 -9.401 -13.107 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.195 -8.360 -13.213 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.227 -9.184 -15.849 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.736 -10.534 -14.846 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.515 -9.589 -14.536 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.987 -8.091 -15.313 1.00 0.00 H new ATOM 0 HE ARG A 14 4.216 -9.364 -17.447 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.408 -10.788 -14.769 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.456 -11.842 -15.820 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.989 -10.721 -18.789 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.784 -11.804 -18.086 1.00 0.00 H new ATOM 229 N HIS A 15 5.578 -5.590 -13.621 1.00 0.00 N ATOM 230 CA HIS A 15 4.733 -4.454 -13.955 1.00 0.00 C ATOM 231 C HIS A 15 5.549 -3.240 -14.388 1.00 0.00 C ATOM 232 O HIS A 15 4.981 -2.244 -14.837 1.00 0.00 O ATOM 233 CB HIS A 15 3.861 -4.084 -12.755 1.00 0.00 C ATOM 234 CG HIS A 15 2.571 -4.841 -12.692 1.00 0.00 C ATOM 235 ND1 HIS A 15 1.994 -5.245 -11.506 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.742 -5.267 -13.676 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.868 -5.886 -11.763 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.692 -5.912 -13.071 1.00 0.00 N ATOM 0 H HIS A 15 5.693 -5.749 -12.620 1.00 0.00 H new ATOM 0 HA HIS A 15 4.105 -4.750 -14.796 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.423 -4.265 -11.839 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.644 -3.016 -12.790 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.377 -5.075 -10.576 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.881 -5.125 -14.738 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.204 -6.316 -11.028 1.00 0.00 H new ATOM 247 N GLY A 16 6.875 -3.328 -14.308 1.00 0.00 N ATOM 248 CA GLY A 16 7.713 -2.231 -14.756 1.00 0.00 C ATOM 249 C GLY A 16 7.803 -1.049 -13.809 1.00 0.00 C ATOM 250 O GLY A 16 8.105 0.058 -14.256 1.00 0.00 O ATOM 0 H GLY A 16 7.381 -4.135 -13.943 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.719 -2.613 -14.929 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.336 -1.877 -15.716 1.00 0.00 H new ATOM 254 N LEU A 17 7.549 -1.237 -12.512 1.00 0.00 N ATOM 255 CA LEU A 17 7.629 -0.107 -11.591 1.00 0.00 C ATOM 256 C LEU A 17 9.035 0.055 -11.045 1.00 0.00 C ATOM 257 O LEU A 17 9.338 1.017 -10.345 1.00 0.00 O ATOM 258 CB LEU A 17 6.635 -0.245 -10.434 1.00 0.00 C ATOM 259 CG LEU A 17 5.258 -0.827 -10.777 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.187 -0.189 -9.907 1.00 0.00 C ATOM 261 CD2 LEU A 17 4.909 -0.631 -12.248 1.00 0.00 C ATOM 0 H LEU A 17 7.295 -2.129 -12.089 1.00 0.00 H new ATOM 0 HA LEU A 17 7.367 0.784 -12.161 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.089 -0.873 -9.668 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.488 0.740 -9.992 1.00 0.00 H new ATOM 0 HG LEU A 17 5.299 -1.899 -10.582 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.214 -0.610 -10.160 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.406 -0.386 -8.857 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.172 0.887 -10.079 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.926 -1.057 -12.449 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.897 0.434 -12.480 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.654 -1.129 -12.868 1.00 0.00 H new ATOM 273 N ASP A 18 9.890 -0.888 -11.377 1.00 0.00 N ATOM 274 CA ASP A 18 11.273 -0.849 -10.919 1.00 0.00 C ATOM 275 C ASP A 18 12.059 0.230 -11.662 1.00 0.00 C ATOM 276 O ASP A 18 12.541 0.021 -12.776 1.00 0.00 O ATOM 277 CB ASP A 18 11.937 -2.220 -11.082 1.00 0.00 C ATOM 278 CG ASP A 18 13.437 -2.128 -11.284 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.139 -1.708 -10.339 1.00 0.00 O ATOM 280 OD2 ASP A 18 13.911 -2.477 -12.384 1.00 0.00 O ATOM 0 H ASP A 18 9.658 -1.692 -11.961 1.00 0.00 H new ATOM 0 HA ASP A 18 11.274 -0.597 -9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.731 -2.825 -10.199 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.492 -2.735 -11.933 1.00 0.00 H new ATOM 285 N ASN A 19 12.172 1.387 -11.019 1.00 0.00 N ATOM 286 CA ASN A 19 12.887 2.536 -11.568 1.00 0.00 C ATOM 287 C ASN A 19 12.212 3.055 -12.818 1.00 0.00 C ATOM 288 O ASN A 19 12.864 3.557 -13.734 1.00 0.00 O ATOM 289 CB ASN A 19 14.349 2.182 -11.855 1.00 0.00 C ATOM 290 CG ASN A 19 15.269 3.380 -11.718 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.425 3.869 -10.493 1.00 0.00 O flip ATOM 292 ND2 ASN A 19 15.835 3.858 -12.700 1.00 0.00 N flip ATOM 0 H ASN A 19 11.769 1.556 -10.098 1.00 0.00 H new ATOM 0 HA ASN A 19 12.865 3.328 -10.819 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.672 1.398 -11.170 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.431 1.777 -12.864 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.686 3.450 -13.623 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.453 4.662 -12.591 1.00 0.00 H new ATOM 299 N TYR A 20 10.896 2.961 -12.830 1.00 0.00 N ATOM 300 CA TYR A 20 10.123 3.456 -13.951 1.00 0.00 C ATOM 301 C TYR A 20 10.250 4.964 -13.961 1.00 0.00 C ATOM 302 O TYR A 20 10.794 5.525 -13.011 1.00 0.00 O ATOM 303 CB TYR A 20 8.657 3.040 -13.823 1.00 0.00 C ATOM 304 CG TYR A 20 7.836 3.297 -15.067 1.00 0.00 C ATOM 305 CD1 TYR A 20 8.046 2.562 -16.226 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.851 4.276 -15.081 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.297 2.795 -17.365 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.097 4.515 -16.214 1.00 0.00 C ATOM 309 CZ TYR A 20 6.324 3.772 -17.353 1.00 0.00 C ATOM 310 OH TYR A 20 5.576 4.006 -18.484 1.00 0.00 O ATOM 0 H TYR A 20 10.343 2.548 -12.079 1.00 0.00 H new ATOM 0 HA TYR A 20 10.497 3.036 -14.885 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.611 1.978 -13.582 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.209 3.577 -12.987 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.807 1.796 -16.238 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.671 4.861 -14.191 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.473 2.215 -18.259 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.334 5.279 -16.207 1.00 0.00 H new ATOM 0 HH TYR A 20 4.934 4.725 -18.308 1.00 0.00 H new ATOM 320 N ARG A 21 9.784 5.615 -15.027 1.00 0.00 N ATOM 321 CA ARG A 21 9.871 7.069 -15.133 1.00 0.00 C ATOM 322 C ARG A 21 9.898 7.701 -13.744 1.00 0.00 C ATOM 323 O ARG A 21 10.600 8.683 -13.503 1.00 0.00 O ATOM 324 CB ARG A 21 8.691 7.617 -15.937 1.00 0.00 C ATOM 325 CG ARG A 21 9.034 7.932 -17.384 1.00 0.00 C ATOM 326 CD ARG A 21 7.873 8.604 -18.098 1.00 0.00 C ATOM 327 NE ARG A 21 8.083 10.041 -18.252 1.00 0.00 N ATOM 328 CZ ARG A 21 7.393 10.963 -17.587 1.00 0.00 C ATOM 329 NH1 ARG A 21 6.452 10.600 -16.726 1.00 0.00 N ATOM 330 NH2 ARG A 21 7.644 12.250 -17.783 1.00 0.00 N ATOM 0 H ARG A 21 9.344 5.159 -15.826 1.00 0.00 H new ATOM 0 HA ARG A 21 10.795 7.323 -15.652 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.879 6.891 -15.915 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.323 8.522 -15.454 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.909 8.581 -17.419 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.299 7.012 -17.905 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.740 8.150 -19.080 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.954 8.430 -17.539 1.00 0.00 H new ATOM 0 HE ARG A 21 8.799 10.355 -18.907 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.256 9.611 -16.572 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.925 11.310 -16.218 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.367 12.534 -18.444 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.114 12.956 -17.272 1.00 0.00 H new ATOM 344 N GLY A 22 9.123 7.113 -12.836 1.00 0.00 N ATOM 345 CA GLY A 22 9.054 7.599 -11.477 1.00 0.00 C ATOM 346 C GLY A 22 10.202 7.106 -10.615 1.00 0.00 C ATOM 347 O GLY A 22 11.288 7.687 -10.632 1.00 0.00 O ATOM 0 H GLY A 22 8.537 6.300 -13.025 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.055 8.689 -11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.110 7.284 -11.031 1.00 0.00 H new ATOM 351 N TYR A 23 9.955 6.059 -9.827 1.00 0.00 N ATOM 352 CA TYR A 23 10.987 5.546 -8.930 1.00 0.00 C ATOM 353 C TYR A 23 11.208 4.044 -9.031 1.00 0.00 C ATOM 354 O TYR A 23 10.568 3.349 -9.820 1.00 0.00 O ATOM 355 CB TYR A 23 10.653 5.920 -7.488 1.00 0.00 C ATOM 356 CG TYR A 23 10.813 7.395 -7.193 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.843 8.309 -7.586 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.932 7.873 -6.524 1.00 0.00 C ATOM 359 CE1 TYR A 23 9.983 9.657 -7.321 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.080 9.221 -6.254 1.00 0.00 C ATOM 361 CZ TYR A 23 11.103 10.108 -6.655 1.00 0.00 C ATOM 362 OH TYR A 23 11.247 11.450 -6.388 1.00 0.00 O ATOM 0 H TYR A 23 9.067 5.559 -9.792 1.00 0.00 H new ATOM 0 HA TYR A 23 11.920 6.013 -9.246 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.626 5.624 -7.273 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.296 5.352 -6.816 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.964 7.959 -8.108 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.699 7.181 -6.210 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.220 10.354 -7.634 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.956 9.577 -5.732 1.00 0.00 H new ATOM 0 HH TYR A 23 12.090 11.600 -5.912 1.00 0.00 H new ATOM 372 N SER A 24 12.154 3.569 -8.217 1.00 0.00 N ATOM 373 CA SER A 24 12.531 2.164 -8.181 1.00 0.00 C ATOM 374 C SER A 24 11.651 1.356 -7.238 1.00 0.00 C ATOM 375 O SER A 24 10.899 1.906 -6.433 1.00 0.00 O ATOM 376 CB SER A 24 13.996 2.024 -7.765 1.00 0.00 C ATOM 377 OG SER A 24 14.171 2.348 -6.397 1.00 0.00 O ATOM 0 H SER A 24 12.678 4.153 -7.565 1.00 0.00 H new ATOM 0 HA SER A 24 12.391 1.766 -9.186 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.333 1.003 -7.946 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.616 2.678 -8.379 1.00 0.00 H new ATOM 0 HG SER A 24 13.399 2.863 -6.082 1.00 0.00 H new ATOM 383 N LEU A 25 11.767 0.039 -7.361 1.00 0.00 N ATOM 384 CA LEU A 25 11.013 -0.906 -6.552 1.00 0.00 C ATOM 385 C LEU A 25 10.930 -0.483 -5.086 1.00 0.00 C ATOM 386 O LEU A 25 9.837 -0.341 -4.538 1.00 0.00 O ATOM 387 CB LEU A 25 11.666 -2.280 -6.663 1.00 0.00 C ATOM 388 CG LEU A 25 10.941 -3.258 -7.573 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.929 -4.200 -8.239 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.902 -4.035 -6.784 1.00 0.00 C ATOM 0 H LEU A 25 12.394 -0.405 -8.032 1.00 0.00 H new ATOM 0 HA LEU A 25 9.991 -0.935 -6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.686 -2.154 -7.027 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.735 -2.716 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 25 10.431 -2.696 -8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.391 -4.893 -8.887 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.638 -3.623 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.468 -4.761 -7.476 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.389 -4.732 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.392 -4.589 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.178 -3.342 -6.355 1.00 0.00 H new ATOM 402 N GLY A 26 12.087 -0.308 -4.451 1.00 0.00 N ATOM 403 CA GLY A 26 12.127 0.074 -3.047 1.00 0.00 C ATOM 404 C GLY A 26 11.115 1.145 -2.676 1.00 0.00 C ATOM 405 O GLY A 26 10.538 1.107 -1.589 1.00 0.00 O ATOM 0 H GLY A 26 13.002 -0.424 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.949 -0.810 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.128 0.433 -2.806 1.00 0.00 H new ATOM 409 N ASN A 27 10.904 2.102 -3.570 1.00 0.00 N ATOM 410 CA ASN A 27 9.959 3.188 -3.317 1.00 0.00 C ATOM 411 C ASN A 27 8.515 2.689 -3.360 1.00 0.00 C ATOM 412 O ASN A 27 7.665 3.160 -2.605 1.00 0.00 O ATOM 413 CB ASN A 27 10.156 4.314 -4.331 1.00 0.00 C ATOM 414 CG ASN A 27 11.621 4.620 -4.576 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.251 4.034 -5.456 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.172 5.541 -3.794 1.00 0.00 N ATOM 0 H ASN A 27 11.372 2.151 -4.475 1.00 0.00 H new ATOM 0 HA ASN A 27 10.155 3.573 -2.316 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.683 4.038 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.654 5.213 -3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.155 5.787 -3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.612 6.002 -3.077 1.00 0.00 H new ATOM 423 N TRP A 28 8.248 1.732 -4.243 1.00 0.00 N ATOM 424 CA TRP A 28 6.909 1.165 -4.380 1.00 0.00 C ATOM 425 C TRP A 28 6.547 0.311 -3.180 1.00 0.00 C ATOM 426 O TRP A 28 5.429 0.386 -2.669 1.00 0.00 O ATOM 427 CB TRP A 28 6.823 0.342 -5.655 1.00 0.00 C ATOM 428 CG TRP A 28 7.026 1.184 -6.863 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.182 1.336 -7.557 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.052 2.009 -7.503 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.000 2.226 -8.582 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.693 2.647 -8.578 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.698 2.269 -7.267 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.028 3.534 -9.420 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.034 3.147 -8.102 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.700 3.771 -9.169 1.00 0.00 C ATOM 0 H TRP A 28 8.941 1.332 -4.875 1.00 0.00 H new ATOM 0 HA TRP A 28 6.195 1.987 -4.433 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.574 -0.448 -5.631 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.850 -0.145 -5.710 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.109 0.830 -7.334 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.718 2.527 -9.241 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.181 1.792 -6.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.538 4.017 -10.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.988 3.356 -7.932 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.155 4.452 -9.806 1.00 0.00 H new ATOM 447 N VAL A 29 7.493 -0.502 -2.727 1.00 0.00 N ATOM 448 CA VAL A 29 7.265 -1.365 -1.582 1.00 0.00 C ATOM 449 C VAL A 29 7.077 -0.546 -0.320 1.00 0.00 C ATOM 450 O VAL A 29 6.141 -0.765 0.441 1.00 0.00 O ATOM 451 CB VAL A 29 8.440 -2.342 -1.387 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.198 -3.254 -0.193 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.671 -3.152 -2.655 1.00 0.00 C ATOM 0 H VAL A 29 8.424 -0.580 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 29 6.357 -1.936 -1.776 1.00 0.00 H new ATOM 0 HB VAL A 29 9.339 -1.761 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.042 -3.934 -0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.091 -2.652 0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.287 -3.831 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.504 -3.838 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.772 -3.721 -2.892 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.902 -2.478 -3.480 1.00 0.00 H new ATOM 463 N CYS A 30 7.977 0.397 -0.107 1.00 0.00 N ATOM 464 CA CYS A 30 7.922 1.258 1.061 1.00 0.00 C ATOM 465 C CYS A 30 6.588 2.004 1.138 1.00 0.00 C ATOM 466 O CYS A 30 5.923 2.009 2.178 1.00 0.00 O ATOM 467 CB CYS A 30 9.075 2.257 1.003 1.00 0.00 C ATOM 468 SG CYS A 30 9.644 2.845 2.625 1.00 0.00 S ATOM 0 H CYS A 30 8.760 0.587 -0.732 1.00 0.00 H new ATOM 0 HA CYS A 30 8.011 0.639 1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.914 1.794 0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.765 3.116 0.407 1.00 0.00 H new ATOM 473 N ALA A 31 6.211 2.637 0.029 1.00 0.00 N ATOM 474 CA ALA A 31 4.969 3.400 -0.038 1.00 0.00 C ATOM 475 C ALA A 31 3.743 2.514 0.151 1.00 0.00 C ATOM 476 O ALA A 31 2.836 2.856 0.906 1.00 0.00 O ATOM 477 CB ALA A 31 4.882 4.142 -1.363 1.00 0.00 C ATOM 0 H ALA A 31 6.750 2.636 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 31 4.981 4.120 0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.951 4.708 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.726 4.825 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.906 3.425 -2.184 1.00 0.00 H new ATOM 483 N ALA A 32 3.718 1.382 -0.544 1.00 0.00 N ATOM 484 CA ALA A 32 2.592 0.456 -0.457 1.00 0.00 C ATOM 485 C ALA A 32 2.505 -0.199 0.917 1.00 0.00 C ATOM 486 O ALA A 32 1.436 -0.243 1.525 1.00 0.00 O ATOM 487 CB ALA A 32 2.701 -0.606 -1.541 1.00 0.00 C ATOM 0 H ALA A 32 4.463 1.083 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 32 1.678 1.030 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.856 -1.291 -1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.695 -0.128 -2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.630 -1.161 -1.414 1.00 0.00 H new ATOM 493 N LYS A 33 3.633 -0.720 1.392 1.00 0.00 N ATOM 494 CA LYS A 33 3.697 -1.390 2.686 1.00 0.00 C ATOM 495 C LYS A 33 3.004 -0.587 3.772 1.00 0.00 C ATOM 496 O LYS A 33 2.102 -1.083 4.443 1.00 0.00 O ATOM 497 CB LYS A 33 5.154 -1.625 3.086 1.00 0.00 C ATOM 498 CG LYS A 33 5.314 -2.337 4.420 1.00 0.00 C ATOM 499 CD LYS A 33 6.412 -1.705 5.261 1.00 0.00 C ATOM 500 CE LYS A 33 6.627 -2.466 6.559 1.00 0.00 C ATOM 501 NZ LYS A 33 5.637 -2.076 7.602 1.00 0.00 N ATOM 0 H LYS A 33 4.523 -0.690 0.894 1.00 0.00 H new ATOM 0 HA LYS A 33 3.180 -2.344 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.645 -2.212 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.668 -0.665 3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.371 -2.304 4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.546 -3.388 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.341 -1.684 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.151 -0.670 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.551 -3.537 6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.636 -2.278 6.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.817 -2.617 8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.726 -1.059 7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.676 -2.279 7.261 1.00 0.00 H new ATOM 515 N PHE A 34 3.449 0.645 3.963 1.00 0.00 N ATOM 516 CA PHE A 34 2.874 1.489 4.999 1.00 0.00 C ATOM 517 C PHE A 34 1.525 2.060 4.601 1.00 0.00 C ATOM 518 O PHE A 34 0.759 2.506 5.457 1.00 0.00 O ATOM 519 CB PHE A 34 3.834 2.602 5.370 1.00 0.00 C ATOM 520 CG PHE A 34 4.758 2.248 6.499 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.268 2.063 7.782 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.119 2.102 6.278 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.117 1.738 8.823 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.973 1.777 7.315 1.00 0.00 C ATOM 525 CZ PHE A 34 6.472 1.594 8.589 1.00 0.00 C ATOM 0 H PHE A 34 4.197 1.079 3.422 1.00 0.00 H new ATOM 0 HA PHE A 34 2.707 0.856 5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.428 2.865 4.495 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.261 3.488 5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.210 2.174 7.971 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.516 2.244 5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.722 1.597 9.818 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.031 1.666 7.129 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.137 1.339 9.401 1.00 0.00 H new ATOM 535 N GLU A 35 1.232 2.060 3.310 1.00 0.00 N ATOM 536 CA GLU A 35 -0.027 2.592 2.816 1.00 0.00 C ATOM 537 C GLU A 35 -1.223 1.785 3.306 1.00 0.00 C ATOM 538 O GLU A 35 -2.159 2.329 3.892 1.00 0.00 O ATOM 539 CB GLU A 35 -0.008 2.585 1.289 1.00 0.00 C ATOM 540 CG GLU A 35 -0.248 3.950 0.669 1.00 0.00 C ATOM 541 CD GLU A 35 0.317 4.057 -0.733 1.00 0.00 C ATOM 542 OE1 GLU A 35 1.505 4.415 -0.870 1.00 0.00 O ATOM 543 OE2 GLU A 35 -0.428 3.779 -1.694 1.00 0.00 O ATOM 0 H GLU A 35 1.850 1.697 2.585 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.133 3.607 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.955 2.205 0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.769 1.893 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.319 4.150 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.204 4.716 1.299 1.00 0.00 H new ATOM 550 N SER A 36 -1.208 0.494 3.008 1.00 0.00 N ATOM 551 CA SER A 36 -2.317 -0.388 3.362 1.00 0.00 C ATOM 552 C SER A 36 -1.838 -1.665 4.040 1.00 0.00 C ATOM 553 O SER A 36 -2.578 -2.645 4.112 1.00 0.00 O ATOM 554 CB SER A 36 -3.084 -0.751 2.089 1.00 0.00 C ATOM 555 OG SER A 36 -2.186 -1.076 1.044 1.00 0.00 O ATOM 0 H SER A 36 -0.440 0.031 2.521 1.00 0.00 H new ATOM 0 HA SER A 36 -2.958 0.141 4.067 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.745 -1.596 2.284 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.715 0.085 1.787 1.00 0.00 H new ATOM 0 HG SER A 36 -1.958 -0.264 0.545 1.00 0.00 H new ATOM 561 N ASN A 37 -0.597 -1.665 4.507 1.00 0.00 N ATOM 562 CA ASN A 37 -0.040 -2.852 5.139 1.00 0.00 C ATOM 563 C ASN A 37 -0.078 -3.999 4.139 1.00 0.00 C ATOM 564 O ASN A 37 -0.180 -5.165 4.508 1.00 0.00 O ATOM 565 CB ASN A 37 -0.823 -3.217 6.404 1.00 0.00 C ATOM 566 CG ASN A 37 0.003 -3.051 7.664 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.143 -3.512 7.739 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.569 -2.390 8.663 1.00 0.00 N ATOM 0 H ASN A 37 0.036 -0.867 4.461 1.00 0.00 H new ATOM 0 HA ASN A 37 0.990 -2.654 5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.712 -2.590 6.471 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.165 -4.249 6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.062 -2.247 9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.516 -2.025 8.557 1.00 0.00 H new ATOM 575 N PHE A 38 0.017 -3.621 2.865 1.00 0.00 N ATOM 576 CA PHE A 38 0.011 -4.535 1.733 1.00 0.00 C ATOM 577 C PHE A 38 -1.382 -5.083 1.455 1.00 0.00 C ATOM 578 O PHE A 38 -1.530 -6.119 0.815 1.00 0.00 O ATOM 579 CB PHE A 38 1.033 -5.656 1.924 1.00 0.00 C ATOM 580 CG PHE A 38 2.444 -5.194 1.700 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.764 -4.436 0.584 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.446 -5.504 2.603 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.055 -3.998 0.371 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.741 -5.069 2.396 1.00 0.00 C ATOM 585 CZ PHE A 38 5.046 -4.314 1.278 1.00 0.00 C ATOM 0 H PHE A 38 0.102 -2.643 2.589 1.00 0.00 H new ATOM 0 HA PHE A 38 0.308 -3.966 0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.942 -6.058 2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.807 -6.470 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.992 -4.185 -0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.213 -6.092 3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.289 -3.409 -0.504 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.515 -5.318 3.107 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.058 -3.972 1.115 1.00 0.00 H new ATOM 595 N ASN A 39 -2.407 -4.356 1.895 1.00 0.00 N ATOM 596 CA ASN A 39 -3.788 -4.762 1.650 1.00 0.00 C ATOM 597 C ASN A 39 -4.246 -4.221 0.305 1.00 0.00 C ATOM 598 O ASN A 39 -4.437 -3.016 0.139 1.00 0.00 O ATOM 599 CB ASN A 39 -4.706 -4.262 2.764 1.00 0.00 C ATOM 600 CG ASN A 39 -5.889 -5.184 2.993 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.458 -5.699 1.910 1.00 0.00 O flip ATOM 602 ND2 ASN A 39 -6.286 -5.429 4.132 1.00 0.00 N flip ATOM 0 H ASN A 39 -2.308 -3.487 2.420 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.837 -5.851 1.636 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.135 -4.170 3.688 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.068 -3.265 2.513 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.818 -5.011 4.936 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.083 -6.050 4.272 1.00 0.00 H new ATOM 609 N THR A 40 -4.381 -5.116 -0.662 1.00 0.00 N ATOM 610 CA THR A 40 -4.770 -4.735 -2.012 1.00 0.00 C ATOM 611 C THR A 40 -6.276 -4.818 -2.209 1.00 0.00 C ATOM 612 O THR A 40 -6.837 -4.156 -3.082 1.00 0.00 O ATOM 613 CB THR A 40 -4.076 -5.640 -3.045 1.00 0.00 C ATOM 614 OG1 THR A 40 -4.901 -6.774 -3.338 1.00 0.00 O ATOM 615 CG2 THR A 40 -2.730 -6.116 -2.521 1.00 0.00 C ATOM 0 H THR A 40 -4.226 -6.116 -0.536 1.00 0.00 H new ATOM 0 HA THR A 40 -4.459 -3.700 -2.157 1.00 0.00 H new ATOM 0 HB THR A 40 -3.917 -5.061 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.740 -7.066 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.255 -6.755 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.092 -5.255 -2.321 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.877 -6.680 -1.600 1.00 0.00 H new ATOM 623 N GLN A 41 -6.922 -5.648 -1.405 1.00 0.00 N ATOM 624 CA GLN A 41 -8.360 -5.838 -1.497 1.00 0.00 C ATOM 625 C GLN A 41 -9.116 -4.917 -0.540 1.00 0.00 C ATOM 626 O GLN A 41 -10.344 -4.962 -0.466 1.00 0.00 O ATOM 627 CB GLN A 41 -8.700 -7.295 -1.194 1.00 0.00 C ATOM 628 CG GLN A 41 -8.730 -8.184 -2.426 1.00 0.00 C ATOM 629 CD GLN A 41 -9.745 -9.304 -2.313 1.00 0.00 C ATOM 630 OE1 GLN A 41 -9.411 -10.479 -2.466 1.00 0.00 O ATOM 631 NE2 GLN A 41 -10.995 -8.946 -2.042 1.00 0.00 N ATOM 0 H GLN A 41 -6.470 -6.203 -0.678 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.671 -5.586 -2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.969 -7.691 -0.489 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.672 -7.337 -0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.960 -7.577 -3.302 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.740 -8.611 -2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.229 -7.960 -1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.721 -9.657 -1.953 1.00 0.00 H new ATOM 640 N ALA A 42 -8.379 -4.099 0.205 1.00 0.00 N ATOM 641 CA ALA A 42 -8.992 -3.191 1.168 1.00 0.00 C ATOM 642 C ALA A 42 -9.288 -1.818 0.572 1.00 0.00 C ATOM 643 O ALA A 42 -8.839 -1.478 -0.523 1.00 0.00 O ATOM 644 CB ALA A 42 -8.102 -3.044 2.391 1.00 0.00 C ATOM 0 H ALA A 42 -7.361 -4.046 0.161 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.946 -3.631 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.571 -2.364 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.963 -4.019 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.134 -2.644 2.090 1.00 0.00 H new ATOM 650 N THR A 43 -10.045 -1.034 1.334 1.00 0.00 N ATOM 651 CA THR A 43 -10.425 0.320 0.947 1.00 0.00 C ATOM 652 C THR A 43 -10.201 1.271 2.123 1.00 0.00 C ATOM 653 O THR A 43 -10.284 0.857 3.280 1.00 0.00 O ATOM 654 CB THR A 43 -11.904 0.393 0.519 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.736 0.608 1.666 1.00 0.00 O ATOM 656 CG2 THR A 43 -12.331 -0.884 -0.189 1.00 0.00 C ATOM 0 H THR A 43 -10.413 -1.322 2.241 1.00 0.00 H new ATOM 0 HA THR A 43 -9.806 0.610 0.098 1.00 0.00 H new ATOM 0 HB THR A 43 -12.015 1.227 -0.174 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.674 0.655 1.386 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.378 -0.806 -0.480 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.717 -1.030 -1.078 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.204 -1.733 0.483 1.00 0.00 H new ATOM 664 N ASN A 44 -9.911 2.538 1.837 1.00 0.00 N ATOM 665 CA ASN A 44 -9.675 3.515 2.900 1.00 0.00 C ATOM 666 C ASN A 44 -10.492 4.784 2.678 1.00 0.00 C ATOM 667 O ASN A 44 -10.047 5.710 2.000 1.00 0.00 O ATOM 668 CB ASN A 44 -8.188 3.860 2.985 1.00 0.00 C ATOM 669 CG ASN A 44 -7.618 3.625 4.370 1.00 0.00 C ATOM 670 OD1 ASN A 44 -8.232 3.983 5.375 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.436 3.022 4.430 1.00 0.00 N ATOM 0 H ASN A 44 -9.834 2.910 0.891 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.993 3.066 3.841 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.637 3.259 2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.044 4.904 2.708 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.002 2.839 5.335 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.962 2.742 3.571 1.00 0.00 H new ATOM 678 N ARG A 45 -11.687 4.824 3.258 1.00 0.00 N ATOM 679 CA ARG A 45 -12.565 5.982 3.123 1.00 0.00 C ATOM 680 C ARG A 45 -11.978 7.201 3.829 1.00 0.00 C ATOM 681 O ARG A 45 -11.550 7.120 4.980 1.00 0.00 O ATOM 682 CB ARG A 45 -13.949 5.667 3.693 1.00 0.00 C ATOM 683 CG ARG A 45 -15.083 5.932 2.716 1.00 0.00 C ATOM 684 CD ARG A 45 -16.440 5.787 3.385 1.00 0.00 C ATOM 685 NE ARG A 45 -17.297 6.943 3.141 1.00 0.00 N ATOM 686 CZ ARG A 45 -18.609 6.949 3.361 1.00 0.00 C ATOM 687 NH1 ARG A 45 -19.212 5.863 3.827 1.00 0.00 N ATOM 688 NH2 ARG A 45 -19.318 8.041 3.113 1.00 0.00 N ATOM 0 H ARG A 45 -12.070 4.068 3.826 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.658 6.212 2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.979 4.620 3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.107 6.264 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.984 6.937 2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -15.013 5.238 1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -16.932 4.887 3.016 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.303 5.658 4.459 1.00 0.00 H new ATOM 0 HE ARG A 45 -16.866 7.794 2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.669 5.021 4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -20.218 5.871 3.995 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -18.858 8.877 2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -20.324 8.045 3.282 1.00 0.00 H new ATOM 702 N ASN A 46 -11.962 8.330 3.126 1.00 0.00 N ATOM 703 CA ASN A 46 -11.430 9.570 3.679 1.00 0.00 C ATOM 704 C ASN A 46 -12.554 10.534 4.038 1.00 0.00 C ATOM 705 O ASN A 46 -13.730 10.246 3.817 1.00 0.00 O ATOM 706 CB ASN A 46 -10.477 10.232 2.682 1.00 0.00 C ATOM 707 CG ASN A 46 -9.592 9.225 1.973 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.670 9.062 0.756 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.744 8.543 2.734 1.00 0.00 N ATOM 0 H ASN A 46 -12.312 8.411 2.171 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.882 9.324 4.588 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.056 10.787 1.943 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.852 10.955 3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.124 7.852 2.313 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.713 8.711 3.740 1.00 0.00 H new ATOM 716 N THR A 47 -12.179 11.678 4.597 1.00 0.00 N ATOM 717 CA THR A 47 -13.150 12.692 4.995 1.00 0.00 C ATOM 718 C THR A 47 -13.481 13.629 3.837 1.00 0.00 C ATOM 719 O THR A 47 -14.570 14.201 3.782 1.00 0.00 O ATOM 720 CB THR A 47 -12.634 13.527 6.182 1.00 0.00 C ATOM 721 OG1 THR A 47 -11.354 14.089 5.868 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.524 12.673 7.436 1.00 0.00 C ATOM 0 H THR A 47 -11.208 11.928 4.786 1.00 0.00 H new ATOM 0 HA THR A 47 -14.053 12.160 5.296 1.00 0.00 H new ATOM 0 HB THR A 47 -13.346 14.330 6.369 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.034 14.620 6.627 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.158 13.284 8.261 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.505 12.271 7.690 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.830 11.851 7.257 1.00 0.00 H new ATOM 730 N ASP A 48 -12.536 13.783 2.915 1.00 0.00 N ATOM 731 CA ASP A 48 -12.731 14.653 1.758 1.00 0.00 C ATOM 732 C ASP A 48 -13.763 14.063 0.800 1.00 0.00 C ATOM 733 O ASP A 48 -14.199 14.725 -0.142 1.00 0.00 O ATOM 734 CB ASP A 48 -11.406 14.875 1.028 1.00 0.00 C ATOM 735 CG ASP A 48 -10.693 13.576 0.709 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.310 12.504 0.874 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.516 13.631 0.295 1.00 0.00 O ATOM 0 H ASP A 48 -11.629 13.318 2.945 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.103 15.613 2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.592 15.420 0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.757 15.500 1.642 1.00 0.00 H new ATOM 742 N GLY A 49 -14.154 12.819 1.054 1.00 0.00 N ATOM 743 CA GLY A 49 -15.138 12.163 0.211 1.00 0.00 C ATOM 744 C GLY A 49 -14.553 11.023 -0.602 1.00 0.00 C ATOM 745 O GLY A 49 -15.258 10.070 -0.937 1.00 0.00 O ATOM 0 H GLY A 49 -13.808 12.253 1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.946 11.781 0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.577 12.897 -0.465 1.00 0.00 H new ATOM 749 N SER A 50 -13.266 11.118 -0.923 1.00 0.00 N ATOM 750 CA SER A 50 -12.602 10.080 -1.704 1.00 0.00 C ATOM 751 C SER A 50 -12.333 8.846 -0.849 1.00 0.00 C ATOM 752 O SER A 50 -12.779 8.761 0.294 1.00 0.00 O ATOM 753 CB SER A 50 -11.292 10.603 -2.299 1.00 0.00 C ATOM 754 OG SER A 50 -10.713 11.594 -1.470 1.00 0.00 O ATOM 0 H SER A 50 -12.665 11.898 -0.656 1.00 0.00 H new ATOM 0 HA SER A 50 -13.268 9.798 -2.520 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.592 9.777 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.479 11.018 -3.289 1.00 0.00 H new ATOM 0 HG SER A 50 -10.866 11.364 -0.530 1.00 0.00 H new ATOM 760 N THR A 51 -11.600 7.892 -1.416 1.00 0.00 N ATOM 761 CA THR A 51 -11.266 6.657 -0.716 1.00 0.00 C ATOM 762 C THR A 51 -10.069 5.976 -1.378 1.00 0.00 C ATOM 763 O THR A 51 -9.818 6.179 -2.563 1.00 0.00 O ATOM 764 CB THR A 51 -12.465 5.687 -0.702 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.572 6.284 -0.017 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.106 4.368 -0.033 1.00 0.00 C ATOM 0 H THR A 51 -11.225 7.952 -2.363 1.00 0.00 H new ATOM 0 HA THR A 51 -11.012 6.916 0.312 1.00 0.00 H new ATOM 0 HB THR A 51 -12.739 5.483 -1.737 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.279 7.112 0.418 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.974 3.708 -0.040 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.287 3.896 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.800 4.554 0.997 1.00 0.00 H new ATOM 774 N ASP A 52 -9.341 5.165 -0.619 1.00 0.00 N ATOM 775 CA ASP A 52 -8.183 4.453 -1.150 1.00 0.00 C ATOM 776 C ASP A 52 -8.534 3.007 -1.419 1.00 0.00 C ATOM 777 O ASP A 52 -8.495 2.167 -0.521 1.00 0.00 O ATOM 778 CB ASP A 52 -7.008 4.541 -0.177 1.00 0.00 C ATOM 779 CG ASP A 52 -6.655 5.972 0.176 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.412 6.770 -0.753 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.621 6.295 1.383 1.00 0.00 O ATOM 0 H ASP A 52 -9.532 4.984 0.366 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.890 4.922 -2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.253 3.995 0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.138 4.053 -0.617 1.00 0.00 H new ATOM 786 N TYR A 53 -8.888 2.726 -2.664 1.00 0.00 N ATOM 787 CA TYR A 53 -9.261 1.383 -3.045 1.00 0.00 C ATOM 788 C TYR A 53 -8.065 0.577 -3.532 1.00 0.00 C ATOM 789 O TYR A 53 -7.816 0.465 -4.732 1.00 0.00 O ATOM 790 CB TYR A 53 -10.348 1.397 -4.113 1.00 0.00 C ATOM 791 CG TYR A 53 -11.682 1.912 -3.623 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.614 1.049 -3.059 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.013 3.255 -3.729 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.837 1.512 -2.614 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.234 3.726 -3.286 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.142 2.851 -2.731 1.00 0.00 C ATOM 797 OH TYR A 53 -15.360 3.316 -2.289 1.00 0.00 O ATOM 0 H TYR A 53 -8.923 3.410 -3.420 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.652 0.899 -2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.016 2.014 -4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.479 0.385 -4.497 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.378 -0.001 -2.967 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.305 3.944 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.550 0.829 -2.177 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.475 4.775 -3.374 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.417 4.282 -2.443 1.00 0.00 H new ATOM 807 N GLY A 54 -7.352 0.000 -2.583 1.00 0.00 N ATOM 808 CA GLY A 54 -6.218 -0.839 -2.940 1.00 0.00 C ATOM 809 C GLY A 54 -5.002 -0.735 -2.047 1.00 0.00 C ATOM 810 O GLY A 54 -4.999 -0.038 -1.032 1.00 0.00 O ATOM 0 H GLY A 54 -7.529 0.091 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.549 -1.877 -2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.917 -0.593 -3.958 1.00 0.00 H new ATOM 814 N ILE A 55 -3.958 -1.449 -2.468 1.00 0.00 N ATOM 815 CA ILE A 55 -2.684 -1.488 -1.766 1.00 0.00 C ATOM 816 C ILE A 55 -1.869 -0.241 -2.083 1.00 0.00 C ATOM 817 O ILE A 55 -0.958 0.129 -1.342 1.00 0.00 O ATOM 818 CB ILE A 55 -1.868 -2.731 -2.181 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.667 -2.925 -1.255 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.410 -2.595 -3.627 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.181 -4.127 -1.612 1.00 0.00 C ATOM 0 H ILE A 55 -3.977 -2.020 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.894 -1.533 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.507 -3.610 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.046 -2.030 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.022 -3.032 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.835 -3.476 -3.911 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.280 -2.504 -4.277 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.787 -1.707 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.015 -4.204 -0.914 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.426 -5.031 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.565 -4.013 -2.626 1.00 0.00 H new ATOM 833 N LEU A 56 -2.224 0.417 -3.183 1.00 0.00 N ATOM 834 CA LEU A 56 -1.552 1.639 -3.599 1.00 0.00 C ATOM 835 C LEU A 56 -2.515 2.812 -3.481 1.00 0.00 C ATOM 836 O LEU A 56 -2.211 3.927 -3.907 1.00 0.00 O ATOM 837 CB LEU A 56 -1.027 1.524 -5.039 1.00 0.00 C ATOM 838 CG LEU A 56 0.474 1.814 -5.221 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.904 3.004 -4.376 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.296 0.584 -4.864 1.00 0.00 C ATOM 0 H LEU A 56 -2.977 0.121 -3.803 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.695 1.803 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.232 0.517 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.591 2.211 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 56 0.649 2.061 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.968 3.188 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.338 3.886 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.714 2.791 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.355 0.803 -4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.110 0.311 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.012 -0.244 -5.513 1.00 0.00 H new ATOM 852 N GLN A 57 -3.679 2.545 -2.885 1.00 0.00 N ATOM 853 CA GLN A 57 -4.705 3.564 -2.683 1.00 0.00 C ATOM 854 C GLN A 57 -5.262 4.081 -4.004 1.00 0.00 C ATOM 855 O GLN A 57 -4.992 5.220 -4.389 1.00 0.00 O ATOM 856 CB GLN A 57 -4.137 4.727 -1.866 1.00 0.00 C ATOM 857 CG GLN A 57 -3.530 4.301 -0.540 1.00 0.00 C ATOM 858 CD GLN A 57 -3.368 5.458 0.426 1.00 0.00 C ATOM 859 OE1 GLN A 57 -3.908 5.441 1.532 1.00 0.00 O ATOM 860 NE2 GLN A 57 -2.619 6.474 0.011 1.00 0.00 N ATOM 0 H GLN A 57 -3.934 1.623 -2.532 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.526 3.099 -2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.376 5.237 -2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.931 5.449 -1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.161 3.538 -0.084 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.557 3.844 -0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.190 6.447 -0.914 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.473 7.281 0.617 1.00 0.00 H new ATOM 869 N ILE A 58 -6.047 3.257 -4.701 1.00 0.00 N ATOM 870 CA ILE A 58 -6.626 3.676 -5.965 1.00 0.00 C ATOM 871 C ILE A 58 -7.938 4.389 -5.714 1.00 0.00 C ATOM 872 O ILE A 58 -8.991 3.758 -5.621 1.00 0.00 O ATOM 873 CB ILE A 58 -6.861 2.481 -6.908 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.704 1.482 -6.806 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.027 2.964 -8.342 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.336 2.108 -6.985 1.00 0.00 C ATOM 0 H ILE A 58 -6.290 2.310 -4.411 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.920 4.352 -6.448 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.778 1.975 -6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.744 0.992 -5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.839 0.706 -7.559 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.192 2.109 -8.997 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.882 3.638 -8.402 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.126 3.492 -8.655 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.569 1.338 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.275 2.573 -7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.178 2.864 -6.216 1.00 0.00 H new ATOM 888 N ASN A 59 -7.870 5.707 -5.595 1.00 0.00 N ATOM 889 CA ASN A 59 -9.055 6.503 -5.345 1.00 0.00 C ATOM 890 C ASN A 59 -10.060 6.327 -6.472 1.00 0.00 C ATOM 891 O ASN A 59 -9.923 6.930 -7.535 1.00 0.00 O ATOM 892 CB ASN A 59 -8.679 7.978 -5.203 1.00 0.00 C ATOM 893 CG ASN A 59 -9.876 8.852 -4.885 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.912 8.366 -4.431 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.739 10.152 -5.121 1.00 0.00 N ATOM 0 H ASN A 59 -7.006 6.244 -5.668 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.511 6.163 -4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.934 8.086 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.216 8.323 -6.128 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.510 10.790 -4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.862 10.512 -5.498 1.00 0.00 H new ATOM 902 N SER A 60 -11.073 5.501 -6.240 1.00 0.00 N ATOM 903 CA SER A 60 -12.099 5.258 -7.248 1.00 0.00 C ATOM 904 C SER A 60 -12.912 6.522 -7.532 1.00 0.00 C ATOM 905 O SER A 60 -13.721 6.550 -8.459 1.00 0.00 O ATOM 906 CB SER A 60 -13.032 4.132 -6.799 1.00 0.00 C ATOM 907 OG SER A 60 -14.131 4.643 -6.064 1.00 0.00 O ATOM 0 H SER A 60 -11.206 4.990 -5.367 1.00 0.00 H new ATOM 0 HA SER A 60 -11.595 4.962 -8.168 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.395 3.587 -7.670 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.479 3.420 -6.185 1.00 0.00 H new ATOM 0 HG SER A 60 -14.044 4.384 -5.123 1.00 0.00 H new ATOM 913 N ARG A 61 -12.690 7.567 -6.737 1.00 0.00 N ATOM 914 CA ARG A 61 -13.403 8.829 -6.921 1.00 0.00 C ATOM 915 C ARG A 61 -12.712 9.680 -7.981 1.00 0.00 C ATOM 916 O ARG A 61 -13.331 10.097 -8.960 1.00 0.00 O ATOM 917 CB ARG A 61 -13.480 9.597 -5.600 1.00 0.00 C ATOM 918 CG ARG A 61 -14.427 10.784 -5.642 1.00 0.00 C ATOM 919 CD ARG A 61 -14.855 11.205 -4.244 1.00 0.00 C ATOM 920 NE ARG A 61 -16.109 11.952 -4.257 1.00 0.00 N ATOM 921 CZ ARG A 61 -16.228 13.202 -3.821 1.00 0.00 C ATOM 922 NH1 ARG A 61 -15.172 13.844 -3.338 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.404 13.814 -3.867 1.00 0.00 N ATOM 0 H ARG A 61 -12.026 7.565 -5.963 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.416 8.606 -7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.799 8.916 -4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.483 9.948 -5.334 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.941 11.621 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.307 10.528 -6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.967 10.320 -3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.073 11.817 -3.795 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.941 11.488 -4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.265 13.378 -3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.267 14.803 -3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.219 13.325 -4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.493 14.773 -3.532 1.00 0.00 H new ATOM 937 N TRP A 62 -11.421 9.919 -7.782 1.00 0.00 N ATOM 938 CA TRP A 62 -10.635 10.705 -8.724 1.00 0.00 C ATOM 939 C TRP A 62 -10.238 9.842 -9.914 1.00 0.00 C ATOM 940 O TRP A 62 -10.330 10.267 -11.067 1.00 0.00 O ATOM 941 CB TRP A 62 -9.386 11.267 -8.042 1.00 0.00 C ATOM 942 CG TRP A 62 -8.976 12.610 -8.566 1.00 0.00 C ATOM 943 CD1 TRP A 62 -7.869 12.895 -9.311 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.670 13.850 -8.383 1.00 0.00 C ATOM 945 NE1 TRP A 62 -7.831 14.238 -9.603 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.925 14.845 -9.044 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.846 14.216 -7.724 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.321 16.180 -9.066 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.238 15.541 -7.746 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.477 16.509 -8.413 1.00 0.00 C ATOM 0 H TRP A 62 -10.896 9.579 -6.976 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.242 11.539 -9.075 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.570 11.344 -6.970 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.562 10.566 -8.175 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.131 12.172 -9.625 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.106 14.706 -10.147 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.439 13.476 -7.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.736 16.929 -9.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -12.146 15.835 -7.241 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.810 17.536 -8.412 1.00 0.00 H new ATOM 961 N TRP A 63 -9.805 8.622 -9.620 1.00 0.00 N ATOM 962 CA TRP A 63 -9.399 7.677 -10.651 1.00 0.00 C ATOM 963 C TRP A 63 -10.463 6.605 -10.852 1.00 0.00 C ATOM 964 O TRP A 63 -11.253 6.329 -9.954 1.00 0.00 O ATOM 965 CB TRP A 63 -8.078 7.001 -10.276 1.00 0.00 C ATOM 966 CG TRP A 63 -7.013 7.954 -9.836 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.391 8.004 -8.621 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.445 8.996 -10.621 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.461 9.017 -8.612 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.477 9.643 -9.832 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.663 9.440 -11.920 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.729 10.717 -10.308 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.929 10.501 -12.393 1.00 0.00 C ATOM 974 CH2 TRP A 63 -4.968 11.134 -11.591 1.00 0.00 C ATOM 0 H TRP A 63 -9.726 8.263 -8.669 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.270 8.237 -11.577 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.263 6.283 -9.477 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.714 6.436 -11.134 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.599 7.346 -7.790 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.858 9.262 -7.827 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.398 8.958 -12.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -3.989 11.203 -9.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.095 10.854 -13.400 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.406 11.965 -11.992 1.00 0.00 H new ATOM 985 N CYS A 64 -10.433 5.984 -12.027 1.00 0.00 N ATOM 986 CA CYS A 64 -11.351 4.902 -12.389 1.00 0.00 C ATOM 987 C CYS A 64 -12.815 5.215 -12.096 1.00 0.00 C ATOM 988 O CYS A 64 -13.147 6.001 -11.211 1.00 0.00 O ATOM 989 CB CYS A 64 -10.948 3.606 -11.674 1.00 0.00 C ATOM 990 SG CYS A 64 -11.658 3.405 -10.004 1.00 0.00 S ATOM 0 H CYS A 64 -9.766 6.217 -12.763 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.267 4.784 -13.469 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.252 2.758 -12.288 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.861 3.571 -11.599 1.00 0.00 H new ATOM 995 N ASN A 65 -13.694 4.573 -12.857 1.00 0.00 N ATOM 996 CA ASN A 65 -15.131 4.757 -12.690 1.00 0.00 C ATOM 997 C ASN A 65 -15.712 3.635 -11.837 1.00 0.00 C ATOM 998 O ASN A 65 -15.831 2.496 -12.289 1.00 0.00 O ATOM 999 CB ASN A 65 -15.826 4.792 -14.053 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.138 5.551 -14.013 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.246 6.656 -14.544 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.144 4.959 -13.378 1.00 0.00 N ATOM 0 H ASN A 65 -13.436 3.920 -13.597 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.301 5.708 -12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.163 5.255 -14.784 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.010 3.772 -14.391 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.051 5.422 -13.316 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.009 4.042 -12.952 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.063 3.961 -10.598 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.623 2.977 -9.679 1.00 0.00 C ATOM 1011 C ASP A 66 -18.147 2.981 -9.719 1.00 0.00 C ATOM 1012 O ASP A 66 -18.786 1.975 -9.411 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.136 3.246 -8.254 1.00 0.00 C ATOM 1014 CG ASP A 66 -16.749 4.499 -7.660 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.533 5.592 -8.225 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.447 4.388 -6.630 1.00 0.00 O ATOM 0 H ASP A 66 -15.970 4.898 -10.207 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.280 1.992 -9.996 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.379 2.391 -7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.050 3.342 -8.256 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.727 4.114 -10.106 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.173 4.220 -10.185 1.00 0.00 C ATOM 1023 C GLY A 67 -20.840 4.270 -8.822 1.00 0.00 C ATOM 1024 O GLY A 67 -22.002 4.661 -8.711 1.00 0.00 O ATOM 0 H GLY A 67 -18.221 4.961 -10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.436 5.117 -10.745 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.564 3.370 -10.744 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.110 3.873 -7.784 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.647 3.875 -6.426 1.00 0.00 C ATOM 1030 C ARG A 68 -20.444 5.231 -5.759 1.00 0.00 C ATOM 1031 O ARG A 68 -20.944 5.473 -4.661 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.983 2.779 -5.592 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.908 1.619 -5.264 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.815 0.518 -6.307 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.256 -0.772 -5.784 1.00 0.00 N ATOM 1036 CZ ARG A 68 -22.531 -1.144 -5.715 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -23.487 -0.325 -6.132 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -22.850 -2.335 -5.226 1.00 0.00 N ATOM 0 H ARG A 68 -19.146 3.546 -7.856 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.718 3.679 -6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.115 2.399 -6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.616 3.214 -4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.653 1.215 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -21.935 1.978 -5.203 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -21.423 0.785 -7.171 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -19.785 0.435 -6.655 1.00 0.00 H new ATOM 0 HE ARG A 68 -20.546 -1.425 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -23.245 0.592 -6.507 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -24.464 -0.612 -6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -22.117 -2.966 -4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -23.828 -2.619 -5.173 1.00 0.00 H new ATOM 1052 N THR A 69 -19.708 6.111 -6.429 1.00 0.00 N ATOM 1053 CA THR A 69 -19.440 7.443 -5.899 1.00 0.00 C ATOM 1054 C THR A 69 -19.813 8.523 -6.911 1.00 0.00 C ATOM 1055 O THR A 69 -19.213 8.614 -7.982 1.00 0.00 O ATOM 1056 CB THR A 69 -17.957 7.607 -5.515 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.500 6.443 -4.815 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.757 8.838 -4.644 1.00 0.00 C ATOM 0 H THR A 69 -19.287 5.926 -7.339 1.00 0.00 H new ATOM 0 HA THR A 69 -20.054 7.557 -5.006 1.00 0.00 H new ATOM 0 HB THR A 69 -17.379 7.730 -6.431 1.00 0.00 H new ATOM 0 HG1 THR A 69 -17.362 5.711 -5.452 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.702 8.933 -4.385 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.079 9.725 -5.189 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.347 8.739 -3.733 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.813 9.362 -6.584 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.260 10.439 -7.473 1.00 0.00 C ATOM 1068 C PRO A 70 -20.196 11.515 -7.654 1.00 0.00 C ATOM 1069 O PRO A 70 -19.971 12.337 -6.765 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.487 11.013 -6.759 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.299 10.649 -5.326 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.583 9.328 -5.327 1.00 0.00 C ATOM 0 HA PRO A 70 -21.473 10.074 -8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.550 12.094 -6.888 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.410 10.590 -7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -21.717 11.408 -4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.258 10.573 -4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -20.932 9.222 -4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.282 8.492 -5.305 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.542 11.504 -8.811 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.507 12.483 -9.089 1.00 0.00 C ATOM 1082 C GLY A 71 -17.244 11.853 -9.646 1.00 0.00 C ATOM 1083 O GLY A 71 -16.214 12.516 -9.761 1.00 0.00 O ATOM 0 H GLY A 71 -19.710 10.834 -9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.887 13.216 -9.800 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.266 13.022 -8.173 1.00 0.00 H new ATOM 1087 N SER A 72 -17.326 10.572 -9.993 1.00 0.00 N ATOM 1088 CA SER A 72 -16.182 9.854 -10.543 1.00 0.00 C ATOM 1089 C SER A 72 -15.678 10.531 -11.814 1.00 0.00 C ATOM 1090 O SER A 72 -16.389 10.597 -12.817 1.00 0.00 O ATOM 1091 CB SER A 72 -16.558 8.401 -10.840 1.00 0.00 C ATOM 1092 OG SER A 72 -15.444 7.675 -11.327 1.00 0.00 O ATOM 0 H SER A 72 -18.173 10.010 -9.903 1.00 0.00 H new ATOM 0 HA SER A 72 -15.383 9.870 -9.801 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.936 7.928 -9.934 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.363 8.373 -11.574 1.00 0.00 H new ATOM 0 HG SER A 72 -15.403 7.754 -12.303 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.449 11.034 -11.763 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.850 11.710 -12.908 1.00 0.00 C ATOM 1100 C ARG A 73 -13.547 10.722 -14.031 1.00 0.00 C ATOM 1101 O ARG A 73 -13.762 11.023 -15.205 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.568 12.431 -12.487 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.689 13.946 -12.503 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.535 14.589 -13.256 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.498 14.176 -14.656 1.00 0.00 N ATOM 1106 CZ ARG A 73 -11.982 14.909 -15.655 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.539 16.086 -15.409 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -11.909 14.463 -16.902 1.00 0.00 N ATOM 0 H ARG A 73 -13.848 10.986 -10.940 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.567 12.442 -13.280 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.292 12.107 -11.483 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.758 12.132 -13.152 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.633 14.232 -12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.711 14.321 -11.480 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.625 15.674 -13.200 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.594 14.322 -12.774 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.077 13.274 -14.881 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.598 16.432 -14.451 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.909 16.646 -16.177 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.482 13.557 -17.096 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.280 15.026 -17.667 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.034 9.550 -13.658 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.685 8.515 -14.629 1.00 0.00 C ATOM 1124 C ASN A 74 -11.477 8.959 -15.440 1.00 0.00 C ATOM 1125 O ASN A 74 -11.367 8.677 -16.634 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.867 8.213 -15.555 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.870 6.777 -16.042 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.223 5.909 -15.457 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.602 6.520 -17.119 1.00 0.00 N ATOM 0 H ASN A 74 -12.851 9.294 -12.688 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.438 7.600 -14.090 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.799 8.416 -15.028 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.833 8.884 -16.413 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.644 5.572 -17.493 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.123 7.271 -17.573 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.564 9.640 -14.760 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.340 10.123 -15.358 1.00 0.00 C ATOM 1138 C LEU A 75 -8.520 8.981 -15.888 1.00 0.00 C ATOM 1139 O LEU A 75 -8.066 8.962 -17.033 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.543 10.806 -14.271 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.740 12.318 -14.170 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.108 12.864 -12.899 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.173 13.016 -15.396 1.00 0.00 C ATOM 0 H LEU A 75 -10.659 9.871 -13.771 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.578 10.799 -16.179 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.806 10.357 -13.313 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.485 10.604 -14.438 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.811 12.518 -14.127 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.262 13.942 -12.850 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.569 12.392 -12.032 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.039 12.650 -12.903 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.323 14.092 -15.304 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.107 12.804 -15.475 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.682 12.653 -16.289 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.356 8.041 -15.003 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.612 6.846 -15.258 1.00 0.00 C ATOM 1157 C CYS A 76 -8.373 5.959 -16.232 1.00 0.00 C ATOM 1158 O CYS A 76 -7.779 5.246 -17.042 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.417 6.160 -13.928 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.734 5.542 -13.623 1.00 0.00 S ATOM 0 H CYS A 76 -8.746 8.087 -14.062 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.646 7.065 -15.713 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.681 6.858 -13.134 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.113 5.324 -13.862 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.700 6.014 -16.135 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.568 5.218 -16.993 1.00 0.00 C ATOM 1167 C ASN A 77 -10.188 3.753 -16.878 1.00 0.00 C ATOM 1168 O ASN A 77 -9.924 3.081 -17.876 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.461 5.683 -18.448 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.539 5.084 -19.329 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.772 5.079 -18.836 1.00 0.00 O flip ATOM 1172 ND2 ASN A 77 -11.267 4.630 -20.441 1.00 0.00 N flip ATOM 0 H ASN A 77 -10.197 6.604 -15.468 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.601 5.348 -16.671 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.529 6.770 -18.485 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.482 5.411 -18.842 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.305 4.654 -20.781 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.003 4.230 -21.022 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.140 3.272 -15.643 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.767 1.894 -15.379 1.00 0.00 C ATOM 1181 C ILE A 78 -10.821 1.175 -14.545 1.00 0.00 C ATOM 1182 O ILE A 78 -11.610 1.810 -13.848 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.409 1.821 -14.649 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.611 1.583 -13.142 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.624 3.095 -14.903 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.596 2.276 -12.256 1.00 0.00 C ATOM 0 H ILE A 78 -10.355 3.818 -14.809 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.688 1.398 -16.346 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.840 0.977 -15.040 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.609 1.922 -12.864 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.573 0.511 -12.948 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.666 3.041 -14.387 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.453 3.210 -15.973 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.188 3.950 -14.532 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.813 2.054 -11.211 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.595 1.920 -12.502 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.648 3.353 -12.417 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.831 -0.168 -14.575 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.768 -0.951 -13.782 1.00 0.00 C ATOM 1200 C PRO A 79 -11.290 -1.026 -12.337 1.00 0.00 C ATOM 1201 O PRO A 79 -10.263 -1.639 -12.047 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.727 -2.323 -14.449 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.348 -2.428 -15.011 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.913 -1.023 -15.352 1.00 0.00 C ATOM 0 HA PRO A 79 -12.774 -0.532 -13.748 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.924 -3.119 -13.731 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.481 -2.406 -15.231 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.668 -2.879 -14.288 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.338 -3.063 -15.897 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.873 -0.848 -15.075 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.995 -0.828 -16.421 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.019 -0.377 -11.438 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.644 -0.349 -10.030 1.00 0.00 C ATOM 1214 C CYS A 80 -11.652 -1.746 -9.412 1.00 0.00 C ATOM 1215 O CYS A 80 -10.623 -2.224 -8.940 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.578 0.590 -9.266 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.136 2.028 -10.244 1.00 0.00 S ATOM 0 H CYS A 80 -12.872 0.136 -11.658 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.623 0.025 -9.958 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.451 0.028 -8.933 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.068 0.947 -8.371 1.00 0.00 H new ATOM 1222 N SER A 81 -12.815 -2.391 -9.400 1.00 0.00 N ATOM 1223 CA SER A 81 -12.947 -3.728 -8.820 1.00 0.00 C ATOM 1224 C SER A 81 -11.915 -4.706 -9.388 1.00 0.00 C ATOM 1225 O SER A 81 -11.541 -5.675 -8.727 1.00 0.00 O ATOM 1226 CB SER A 81 -14.358 -4.269 -9.063 1.00 0.00 C ATOM 1227 OG SER A 81 -14.520 -4.685 -10.407 1.00 0.00 O ATOM 0 H SER A 81 -13.680 -2.012 -9.785 1.00 0.00 H new ATOM 0 HA SER A 81 -12.765 -3.637 -7.749 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.549 -5.108 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.092 -3.499 -8.827 1.00 0.00 H new ATOM 0 HG SER A 81 -15.429 -5.028 -10.536 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.463 -4.455 -10.614 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.483 -5.328 -11.263 1.00 0.00 C ATOM 1235 C ALA A 82 -9.123 -5.265 -10.566 1.00 0.00 C ATOM 1236 O ALA A 82 -8.200 -5.999 -10.921 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.339 -4.959 -12.730 1.00 0.00 C ATOM 0 H ALA A 82 -11.757 -3.658 -11.178 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.849 -6.352 -11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.607 -5.616 -13.200 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.301 -5.071 -13.230 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.005 -3.925 -12.814 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.010 -4.389 -9.577 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.764 -4.231 -8.832 1.00 0.00 C ATOM 1245 C LEU A 83 -7.905 -4.754 -7.409 1.00 0.00 C ATOM 1246 O LEU A 83 -6.916 -4.903 -6.691 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.332 -2.760 -8.811 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.918 -1.916 -7.676 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.941 -1.832 -6.513 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.272 -0.524 -8.176 1.00 0.00 C ATOM 0 H LEU A 83 -9.765 -3.776 -9.270 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.997 -4.817 -9.338 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.245 -2.720 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.611 -2.304 -9.761 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.830 -2.399 -7.324 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.375 -1.228 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.735 -2.834 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.012 -1.373 -6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.687 0.062 -7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.375 -0.034 -8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.008 -0.601 -8.976 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.141 -5.015 -6.998 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.411 -5.501 -5.653 1.00 0.00 C ATOM 1264 C LEU A 84 -9.683 -7.002 -5.647 1.00 0.00 C ATOM 1265 O LEU A 84 -10.546 -7.487 -4.915 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.599 -4.739 -5.071 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.738 -3.312 -5.597 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.180 -2.842 -5.511 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.818 -2.370 -4.833 1.00 0.00 C ATOM 0 H LEU A 84 -9.971 -4.898 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.529 -5.328 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.514 -5.288 -5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.501 -4.708 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.443 -3.305 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.254 -1.823 -5.891 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.813 -3.499 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.509 -2.866 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.930 -1.358 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.080 -2.384 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.784 -2.693 -4.955 1.00 0.00 H new ATOM 1281 N SER A 85 -8.927 -7.731 -6.460 1.00 0.00 N ATOM 1282 CA SER A 85 -9.070 -9.182 -6.541 1.00 0.00 C ATOM 1283 C SER A 85 -7.720 -9.859 -6.381 1.00 0.00 C ATOM 1284 O SER A 85 -7.411 -10.847 -7.049 1.00 0.00 O ATOM 1285 CB SER A 85 -9.723 -9.592 -7.862 1.00 0.00 C ATOM 1286 OG SER A 85 -8.884 -9.286 -8.963 1.00 0.00 O ATOM 0 H SER A 85 -8.209 -7.343 -7.072 1.00 0.00 H new ATOM 0 HA SER A 85 -9.718 -9.506 -5.727 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.936 -10.661 -7.849 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.678 -9.078 -7.974 1.00 0.00 H new ATOM 0 HG SER A 85 -9.324 -9.559 -9.795 1.00 0.00 H new ATOM 1292 N SER A 86 -6.924 -9.287 -5.496 1.00 0.00 N ATOM 1293 CA SER A 86 -5.576 -9.773 -5.211 1.00 0.00 C ATOM 1294 C SER A 86 -4.716 -9.519 -6.426 1.00 0.00 C ATOM 1295 O SER A 86 -3.700 -10.175 -6.656 1.00 0.00 O ATOM 1296 CB SER A 86 -5.589 -11.264 -4.862 1.00 0.00 C ATOM 1297 OG SER A 86 -4.317 -11.692 -4.406 1.00 0.00 O ATOM 0 H SER A 86 -7.191 -8.468 -4.949 1.00 0.00 H new ATOM 0 HA SER A 86 -5.172 -9.244 -4.348 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.338 -11.454 -4.093 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.878 -11.843 -5.739 1.00 0.00 H new ATOM 0 HG SER A 86 -3.617 -11.263 -4.941 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.177 -8.565 -7.215 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.533 -8.182 -8.448 1.00 0.00 C ATOM 1305 C ASP A 87 -4.140 -6.712 -8.419 1.00 0.00 C ATOM 1306 O ASP A 87 -5.006 -5.836 -8.382 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.516 -8.437 -9.577 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.867 -8.399 -10.947 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.881 -9.135 -11.157 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.346 -7.634 -11.810 1.00 0.00 O ATOM 0 H ASP A 87 -6.021 -8.030 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.622 -8.763 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.985 -9.410 -9.430 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.310 -7.691 -9.536 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.842 -6.437 -8.438 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.367 -5.061 -8.415 1.00 0.00 C ATOM 1317 C ILE A 88 -2.280 -4.488 -9.819 1.00 0.00 C ATOM 1318 O ILE A 88 -2.006 -3.306 -9.990 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.985 -4.934 -7.744 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.147 -6.190 -7.989 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.143 -4.675 -6.255 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.340 -5.917 -8.065 1.00 0.00 C ATOM 0 H ILE A 88 -2.106 -7.142 -8.469 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.094 -4.498 -7.830 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.462 -4.087 -8.188 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.337 -6.906 -7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.471 -6.658 -8.919 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.159 -4.588 -5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.698 -3.749 -6.104 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.686 -5.502 -5.797 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.873 -6.852 -8.240 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.542 -5.225 -8.883 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.678 -5.477 -7.127 1.00 0.00 H new ATOM 1334 N THR A 89 -2.500 -5.331 -10.824 1.00 0.00 N ATOM 1335 CA THR A 89 -2.434 -4.897 -12.214 1.00 0.00 C ATOM 1336 C THR A 89 -3.208 -3.602 -12.435 1.00 0.00 C ATOM 1337 O THR A 89 -2.643 -2.604 -12.877 1.00 0.00 O ATOM 1338 CB THR A 89 -2.982 -5.977 -13.166 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.554 -7.274 -12.736 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.514 -5.729 -14.592 1.00 0.00 C ATOM 0 H THR A 89 -2.725 -6.318 -10.701 1.00 0.00 H new ATOM 0 HA THR A 89 -1.381 -4.724 -12.435 1.00 0.00 H new ATOM 0 HB THR A 89 -4.071 -5.930 -13.144 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.908 -7.954 -13.346 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.913 -6.504 -15.246 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.868 -4.754 -14.927 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.425 -5.751 -14.626 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.504 -3.626 -12.138 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.349 -2.461 -12.317 1.00 0.00 C ATOM 1350 C ALA A 90 -4.902 -1.296 -11.432 1.00 0.00 C ATOM 1351 O ALA A 90 -4.827 -0.153 -11.887 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.801 -2.814 -12.043 1.00 0.00 C ATOM 0 H ALA A 90 -4.989 -4.445 -11.771 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.254 -2.139 -13.354 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.423 -1.930 -12.181 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.122 -3.595 -12.733 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.901 -3.171 -11.018 1.00 0.00 H new ATOM 1358 N SER A 91 -4.596 -1.595 -10.171 1.00 0.00 N ATOM 1359 CA SER A 91 -4.146 -0.574 -9.226 1.00 0.00 C ATOM 1360 C SER A 91 -2.847 0.064 -9.691 1.00 0.00 C ATOM 1361 O SER A 91 -2.617 1.259 -9.489 1.00 0.00 O ATOM 1362 CB SER A 91 -3.952 -1.188 -7.839 1.00 0.00 C ATOM 1363 OG SER A 91 -4.182 -2.586 -7.862 1.00 0.00 O ATOM 0 H SER A 91 -4.651 -2.535 -9.780 1.00 0.00 H new ATOM 0 HA SER A 91 -4.912 0.200 -9.175 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.939 -0.989 -7.488 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.633 -0.716 -7.131 1.00 0.00 H new ATOM 0 HG SER A 91 -4.208 -2.928 -6.944 1.00 0.00 H new ATOM 1369 N VAL A 92 -2.005 -0.737 -10.319 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.738 -0.235 -10.805 1.00 0.00 C ATOM 1371 C VAL A 92 -0.929 0.569 -12.069 1.00 0.00 C ATOM 1372 O VAL A 92 -0.416 1.667 -12.176 1.00 0.00 O ATOM 1373 CB VAL A 92 0.301 -1.336 -11.076 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.505 -0.743 -11.804 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.729 -2.003 -9.776 1.00 0.00 C ATOM 0 H VAL A 92 -2.175 -1.726 -10.502 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.351 0.393 -10.003 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.150 -2.099 -11.710 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.238 -1.527 -11.994 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.181 -0.312 -12.751 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.956 0.034 -11.187 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.464 -2.779 -9.990 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.170 -1.258 -9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.140 -2.450 -9.293 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.669 0.026 -13.025 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.909 0.719 -14.263 1.00 0.00 C ATOM 1387 C ASN A 93 -2.266 2.171 -13.994 1.00 0.00 C ATOM 1388 O ASN A 93 -1.800 3.083 -14.681 1.00 0.00 O ATOM 1389 CB ASN A 93 -3.006 0.019 -15.042 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.180 0.923 -15.369 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -5.136 1.019 -14.600 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.112 1.590 -16.515 1.00 0.00 N ATOM 0 H ASN A 93 -2.109 -0.892 -12.959 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.000 0.705 -14.864 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.589 -0.374 -15.969 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.363 -0.835 -14.466 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.872 2.213 -16.788 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.300 1.480 -17.122 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.085 2.375 -12.973 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.498 3.709 -12.594 1.00 0.00 C ATOM 1401 C CYS A 94 -2.317 4.508 -12.061 1.00 0.00 C ATOM 1402 O CYS A 94 -2.106 5.650 -12.465 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.607 3.658 -11.549 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.755 5.064 -11.649 1.00 0.00 S ATOM 0 H CYS A 94 -3.474 1.630 -12.395 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.883 4.205 -13.485 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.168 2.731 -11.669 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.160 3.633 -10.555 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.548 3.910 -11.150 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.396 4.603 -10.581 1.00 0.00 C ATOM 1411 C ALA A 95 0.693 4.781 -11.623 1.00 0.00 C ATOM 1412 O ALA A 95 1.332 5.823 -11.683 1.00 0.00 O ATOM 1413 CB ALA A 95 0.140 3.888 -9.369 1.00 0.00 C ATOM 0 H ALA A 95 -1.699 2.965 -10.797 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.733 5.589 -10.260 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.997 4.434 -8.974 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.637 3.831 -8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.449 2.881 -9.648 1.00 0.00 H new ATOM 1419 N LYS A 96 0.885 3.770 -12.464 1.00 0.00 N ATOM 1420 CA LYS A 96 1.869 3.851 -13.524 1.00 0.00 C ATOM 1421 C LYS A 96 1.601 5.145 -14.278 1.00 0.00 C ATOM 1422 O LYS A 96 2.510 5.866 -14.696 1.00 0.00 O ATOM 1423 CB LYS A 96 1.748 2.652 -14.469 1.00 0.00 C ATOM 1424 CG LYS A 96 2.917 2.513 -15.428 1.00 0.00 C ATOM 1425 CD LYS A 96 3.015 1.102 -15.987 1.00 0.00 C ATOM 1426 CE LYS A 96 2.766 1.079 -17.487 1.00 0.00 C ATOM 1427 NZ LYS A 96 1.357 0.721 -17.811 1.00 0.00 N ATOM 0 H LYS A 96 0.371 2.890 -12.428 1.00 0.00 H new ATOM 0 HA LYS A 96 2.878 3.838 -13.113 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.664 1.741 -13.877 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.826 2.745 -15.044 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.803 3.223 -16.247 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.844 2.767 -14.913 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.003 0.693 -15.775 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.290 0.460 -15.487 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.998 2.057 -17.908 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.440 0.362 -17.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.229 0.716 -18.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.143 -0.223 -17.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.715 1.419 -17.385 1.00 0.00 H new ATOM 1441 N LYS A 97 0.307 5.437 -14.380 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.174 6.650 -15.016 1.00 0.00 C ATOM 1443 C LYS A 97 -0.051 7.819 -14.046 1.00 0.00 C ATOM 1444 O LYS A 97 0.192 8.955 -14.453 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.626 6.485 -15.466 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.092 7.566 -16.427 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.609 7.646 -16.482 1.00 0.00 C ATOM 1448 CE LYS A 97 -4.079 8.539 -17.620 1.00 0.00 C ATOM 1449 NZ LYS A 97 -5.046 7.842 -18.511 1.00 0.00 N ATOM 0 H LYS A 97 -0.435 4.835 -14.022 1.00 0.00 H new ATOM 0 HA LYS A 97 0.434 6.850 -15.898 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.741 5.512 -15.943 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.272 6.488 -14.588 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.687 8.529 -16.117 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.701 7.362 -17.424 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.023 6.646 -16.608 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.989 8.031 -15.535 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.545 9.435 -17.209 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.218 8.866 -18.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.341 8.485 -19.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.594 7.001 -18.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.879 7.552 -17.960 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.200 7.525 -12.753 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.087 8.548 -11.725 1.00 0.00 C ATOM 1465 C ILE A 98 1.319 9.143 -11.731 1.00 0.00 C ATOM 1466 O ILE A 98 1.498 10.361 -11.765 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.411 8.000 -10.318 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.900 7.654 -10.216 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.033 9.020 -9.252 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.276 6.954 -8.927 1.00 0.00 C ATOM 0 H ILE A 98 -0.398 6.589 -12.399 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.820 9.321 -11.957 1.00 0.00 H new ATOM 0 HB ILE A 98 0.172 7.094 -10.154 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.484 8.570 -10.305 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.175 7.018 -11.058 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.267 8.619 -8.266 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.034 9.232 -9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.595 9.940 -9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.345 6.741 -8.927 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.720 6.020 -8.845 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.034 7.596 -8.080 1.00 0.00 H new ATOM 1482 N VAL A 99 2.308 8.258 -11.696 1.00 0.00 N ATOM 1483 CA VAL A 99 3.708 8.657 -11.696 1.00 0.00 C ATOM 1484 C VAL A 99 4.149 9.142 -13.073 1.00 0.00 C ATOM 1485 O VAL A 99 5.119 9.890 -13.194 1.00 0.00 O ATOM 1486 CB VAL A 99 4.619 7.508 -11.230 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.925 6.550 -12.371 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.900 8.061 -10.625 1.00 0.00 C ATOM 0 H VAL A 99 2.162 7.249 -11.667 1.00 0.00 H new ATOM 0 HA VAL A 99 3.803 9.483 -10.991 1.00 0.00 H new ATOM 0 HB VAL A 99 4.090 6.945 -10.462 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.571 5.749 -12.010 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.995 6.124 -12.748 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.429 7.089 -13.173 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.534 7.236 -10.300 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.429 8.653 -11.372 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.656 8.690 -9.769 1.00 0.00 H new ATOM 1498 N SER A 100 3.421 8.730 -14.113 1.00 0.00 N ATOM 1499 CA SER A 100 3.739 9.150 -15.473 1.00 0.00 C ATOM 1500 C SER A 100 3.069 10.486 -15.781 1.00 0.00 C ATOM 1501 O SER A 100 3.353 11.120 -16.798 1.00 0.00 O ATOM 1502 CB SER A 100 3.285 8.092 -16.482 1.00 0.00 C ATOM 1503 OG SER A 100 3.702 8.427 -17.794 1.00 0.00 O ATOM 0 H SER A 100 2.614 8.111 -14.038 1.00 0.00 H new ATOM 0 HA SER A 100 4.820 9.267 -15.554 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.694 7.121 -16.204 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.199 8.001 -16.454 1.00 0.00 H new ATOM 0 HG SER A 100 3.706 9.402 -17.897 1.00 0.00 H new ATOM 1509 N ASP A 101 2.178 10.903 -14.887 1.00 0.00 N ATOM 1510 CA ASP A 101 1.458 12.163 -15.043 1.00 0.00 C ATOM 1511 C ASP A 101 2.119 13.270 -14.228 1.00 0.00 C ATOM 1512 O ASP A 101 1.727 14.434 -14.310 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.001 12.001 -14.613 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.934 11.818 -15.794 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.938 12.690 -16.688 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.662 10.804 -15.824 1.00 0.00 O ATOM 0 H ASP A 101 1.936 10.384 -14.043 1.00 0.00 H new ATOM 0 HA ASP A 101 1.489 12.441 -16.096 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.088 11.142 -13.948 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.308 12.878 -14.043 1.00 0.00 H new ATOM 1521 N GLY A 102 3.127 12.898 -13.444 1.00 0.00 N ATOM 1522 CA GLY A 102 3.829 13.869 -12.625 1.00 0.00 C ATOM 1523 C GLY A 102 3.535 13.704 -11.147 1.00 0.00 C ATOM 1524 O GLY A 102 3.147 14.659 -10.474 1.00 0.00 O ATOM 0 H GLY A 102 3.470 11.941 -13.362 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.902 13.772 -12.792 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.548 14.874 -12.938 1.00 0.00 H new ATOM 1528 N ASN A 103 3.722 12.490 -10.640 1.00 0.00 N ATOM 1529 CA ASN A 103 3.476 12.202 -9.231 1.00 0.00 C ATOM 1530 C ASN A 103 4.303 11.006 -8.772 1.00 0.00 C ATOM 1531 O ASN A 103 3.924 9.856 -8.989 1.00 0.00 O ATOM 1532 CB ASN A 103 1.989 11.930 -8.996 1.00 0.00 C ATOM 1533 CG ASN A 103 1.323 13.021 -8.181 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.877 13.498 -7.191 1.00 0.00 O ATOM 1535 ND2 ASN A 103 0.127 13.423 -8.596 1.00 0.00 N ATOM 0 H ASN A 103 4.043 11.689 -11.184 1.00 0.00 H new ATOM 0 HA ASN A 103 3.774 13.074 -8.648 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.483 11.838 -9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.874 10.975 -8.483 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.369 14.155 -8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.295 13.000 -9.422 1.00 0.00 H new ATOM 1542 N GLY A 104 5.431 11.286 -8.128 1.00 0.00 N ATOM 1543 CA GLY A 104 6.292 10.222 -7.644 1.00 0.00 C ATOM 1544 C GLY A 104 5.729 9.538 -6.415 1.00 0.00 C ATOM 1545 O GLY A 104 4.520 9.346 -6.304 1.00 0.00 O ATOM 0 H GLY A 104 5.765 12.230 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.433 9.485 -8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.275 10.631 -7.411 1.00 0.00 H new ATOM 1549 N MET A 105 6.607 9.186 -5.482 1.00 0.00 N ATOM 1550 CA MET A 105 6.199 8.537 -4.248 1.00 0.00 C ATOM 1551 C MET A 105 5.675 9.574 -3.277 1.00 0.00 C ATOM 1552 O MET A 105 5.264 9.256 -2.160 1.00 0.00 O ATOM 1553 CB MET A 105 7.381 7.793 -3.624 1.00 0.00 C ATOM 1554 CG MET A 105 8.392 7.288 -4.640 1.00 0.00 C ATOM 1555 SD MET A 105 7.655 6.192 -5.866 1.00 0.00 S ATOM 1556 CE MET A 105 6.595 5.198 -4.824 1.00 0.00 C ATOM 0 H MET A 105 7.612 9.342 -5.561 1.00 0.00 H new ATOM 0 HA MET A 105 5.411 7.818 -4.471 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.886 8.456 -2.921 1.00 0.00 H new ATOM 0 HB3 MET A 105 7.004 6.947 -3.049 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.848 8.139 -5.146 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.191 6.760 -4.120 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.505 4.197 -5.246 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.025 5.133 -3.824 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.608 5.657 -4.766 1.00 0.00 H new ATOM 1566 N ASN A 106 5.705 10.826 -3.716 1.00 0.00 N ATOM 1567 CA ASN A 106 5.251 11.937 -2.904 1.00 0.00 C ATOM 1568 C ASN A 106 3.728 11.970 -2.825 1.00 0.00 C ATOM 1569 O ASN A 106 3.163 12.323 -1.791 1.00 0.00 O ATOM 1570 CB ASN A 106 5.777 13.243 -3.493 1.00 0.00 C ATOM 1571 CG ASN A 106 7.091 13.058 -4.227 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.133 12.837 -3.612 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.047 13.149 -5.552 1.00 0.00 N ATOM 0 H ASN A 106 6.043 11.094 -4.640 1.00 0.00 H new ATOM 0 HA ASN A 106 5.636 11.812 -1.892 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.036 13.654 -4.178 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.910 13.972 -2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.900 13.034 -6.100 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.160 13.334 -6.021 1.00 0.00 H new ATOM 1580 N ALA A 107 3.069 11.603 -3.922 1.00 0.00 N ATOM 1581 CA ALA A 107 1.611 11.594 -3.966 1.00 0.00 C ATOM 1582 C ALA A 107 1.039 10.844 -2.769 1.00 0.00 C ATOM 1583 O ALA A 107 0.153 11.342 -2.074 1.00 0.00 O ATOM 1584 CB ALA A 107 1.125 10.971 -5.266 1.00 0.00 C ATOM 0 H ALA A 107 3.520 11.309 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 107 1.260 12.625 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.035 10.971 -5.284 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.502 11.549 -6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.489 9.946 -5.337 1.00 0.00 H new ATOM 1590 N TRP A 108 1.560 9.646 -2.536 1.00 0.00 N ATOM 1591 CA TRP A 108 1.112 8.820 -1.422 1.00 0.00 C ATOM 1592 C TRP A 108 1.758 9.295 -0.119 1.00 0.00 C ATOM 1593 O TRP A 108 2.972 9.483 -0.044 1.00 0.00 O ATOM 1594 CB TRP A 108 1.427 7.351 -1.708 1.00 0.00 C ATOM 1595 CG TRP A 108 0.804 6.870 -2.989 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.474 6.418 -3.160 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.424 6.809 -4.281 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.685 6.078 -4.476 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.465 6.308 -5.185 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.696 7.127 -4.761 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.741 6.121 -6.542 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.968 6.941 -6.103 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.996 6.444 -6.980 1.00 0.00 C ATOM 0 H TRP A 108 2.294 9.224 -3.105 1.00 0.00 H new ATOM 0 HA TRP A 108 0.032 8.916 -1.307 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.508 7.217 -1.760 1.00 0.00 H new ATOM 0 HB3 TRP A 108 1.070 6.738 -0.881 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.212 6.339 -2.375 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.556 5.714 -4.862 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.454 7.512 -4.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.008 5.736 -7.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.949 7.184 -6.483 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.242 6.313 -8.023 1.00 0.00 H new ATOM 1614 N VAL A 109 0.920 9.530 0.888 1.00 0.00 N ATOM 1615 CA VAL A 109 1.371 10.034 2.187 1.00 0.00 C ATOM 1616 C VAL A 109 2.076 8.990 3.045 1.00 0.00 C ATOM 1617 O VAL A 109 2.891 9.340 3.898 1.00 0.00 O ATOM 1618 CB VAL A 109 0.207 10.597 2.998 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.620 11.870 3.720 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.015 10.841 2.123 1.00 0.00 C ATOM 0 H VAL A 109 -0.087 9.378 0.829 1.00 0.00 H new ATOM 0 HA VAL A 109 2.090 10.815 1.942 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.067 9.853 3.746 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.225 12.254 4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.447 11.653 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.934 12.617 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.825 11.242 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.764 11.555 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.332 9.901 1.671 1.00 0.00 H new ATOM 1630 N ALA A 110 1.772 7.719 2.833 1.00 0.00 N ATOM 1631 CA ALA A 110 2.399 6.659 3.615 1.00 0.00 C ATOM 1632 C ALA A 110 3.889 6.578 3.328 1.00 0.00 C ATOM 1633 O ALA A 110 4.656 6.019 4.111 1.00 0.00 O ATOM 1634 CB ALA A 110 1.728 5.325 3.337 1.00 0.00 C ATOM 0 H ALA A 110 1.103 7.396 2.134 1.00 0.00 H new ATOM 0 HA ALA A 110 2.272 6.897 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.208 4.546 3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.673 5.386 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.820 5.085 2.278 1.00 0.00 H new ATOM 1640 N TRP A 111 4.292 7.152 2.204 1.00 0.00 N ATOM 1641 CA TRP A 111 5.693 7.155 1.823 1.00 0.00 C ATOM 1642 C TRP A 111 6.399 8.363 2.431 1.00 0.00 C ATOM 1643 O TRP A 111 7.548 8.266 2.857 1.00 0.00 O ATOM 1644 CB TRP A 111 5.847 7.143 0.298 1.00 0.00 C ATOM 1645 CG TRP A 111 7.268 7.276 -0.162 1.00 0.00 C ATOM 1646 CD1 TRP A 111 8.120 6.260 -0.491 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.003 8.492 -0.349 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.339 6.770 -0.870 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.292 8.137 -0.790 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.696 9.846 -0.185 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.271 9.088 -1.070 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.670 10.788 -0.463 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.944 10.404 -0.901 1.00 0.00 C ATOM 0 H TRP A 111 3.671 7.619 1.544 1.00 0.00 H new ATOM 0 HA TRP A 111 6.159 6.249 2.210 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.432 6.214 -0.094 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.259 7.958 -0.125 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.872 5.209 -0.458 1.00 0.00 H new ATOM 0 HE1 TRP A 111 10.147 6.220 -1.163 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.716 10.151 0.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.254 8.795 -1.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.445 11.837 -0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.683 11.164 -1.109 1.00 0.00 H new ATOM 1664 N ARG A 112 5.703 9.496 2.494 1.00 0.00 N ATOM 1665 CA ARG A 112 6.271 10.705 3.081 1.00 0.00 C ATOM 1666 C ARG A 112 5.899 10.832 4.552 1.00 0.00 C ATOM 1667 O ARG A 112 5.494 11.901 5.011 1.00 0.00 O ATOM 1668 CB ARG A 112 5.797 11.942 2.342 1.00 0.00 C ATOM 1669 CG ARG A 112 4.884 11.656 1.160 1.00 0.00 C ATOM 1670 CD ARG A 112 3.749 12.665 1.078 1.00 0.00 C ATOM 1671 NE ARG A 112 3.287 13.083 2.398 1.00 0.00 N ATOM 1672 CZ ARG A 112 2.795 14.291 2.660 1.00 0.00 C ATOM 1673 NH1 ARG A 112 2.699 15.195 1.694 1.00 0.00 N ATOM 1674 NH2 ARG A 112 2.396 14.594 3.887 1.00 0.00 N ATOM 0 H ARG A 112 4.749 9.601 2.147 1.00 0.00 H new ATOM 0 HA ARG A 112 7.354 10.625 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 112 5.271 12.590 3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 112 6.667 12.495 1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 112 5.463 11.682 0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 112 4.473 10.651 1.251 1.00 0.00 H new ATOM 0 HD2 ARG A 112 4.082 13.539 0.518 1.00 0.00 H new ATOM 0 HD3 ARG A 112 2.917 12.229 0.525 1.00 0.00 H new ATOM 0 HE ARG A 112 3.345 12.411 3.163 1.00 0.00 H new ATOM 0 HH11 ARG A 112 3.003 14.965 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.321 16.120 1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 112 2.466 13.901 4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.019 15.521 4.086 1.00 0.00 H new ATOM 1688 N ASN A 113 6.038 9.748 5.283 1.00 0.00 N ATOM 1689 CA ASN A 113 5.718 9.745 6.705 1.00 0.00 C ATOM 1690 C ASN A 113 6.513 8.683 7.447 1.00 0.00 C ATOM 1691 O ASN A 113 7.360 8.995 8.285 1.00 0.00 O ATOM 1692 CB ASN A 113 4.220 9.511 6.910 1.00 0.00 C ATOM 1693 CG ASN A 113 3.798 9.697 8.354 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.372 8.749 9.014 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.913 10.923 8.852 1.00 0.00 N ATOM 0 H ASN A 113 6.370 8.854 4.922 1.00 0.00 H new ATOM 0 HA ASN A 113 5.989 10.720 7.111 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.658 10.199 6.279 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.965 8.502 6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.643 11.108 9.818 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.271 11.679 8.268 1.00 0.00 H new ATOM 1702 N ARG A 114 6.227 7.429 7.137 1.00 0.00 N ATOM 1703 CA ARG A 114 6.902 6.310 7.773 1.00 0.00 C ATOM 1704 C ARG A 114 8.051 5.794 6.914 1.00 0.00 C ATOM 1705 O ARG A 114 8.769 4.876 7.312 1.00 0.00 O ATOM 1706 CB ARG A 114 5.907 5.186 8.032 1.00 0.00 C ATOM 1707 CG ARG A 114 5.239 5.262 9.395 1.00 0.00 C ATOM 1708 CD ARG A 114 6.151 4.736 10.493 1.00 0.00 C ATOM 1709 NE ARG A 114 5.399 4.110 11.576 1.00 0.00 N ATOM 1710 CZ ARG A 114 5.457 4.512 12.843 1.00 0.00 C ATOM 1711 NH1 ARG A 114 6.227 5.536 13.183 1.00 0.00 N ATOM 1712 NH2 ARG A 114 4.741 3.890 13.770 1.00 0.00 N ATOM 0 H ARG A 114 5.528 7.160 6.445 1.00 0.00 H new ATOM 0 HA ARG A 114 7.316 6.659 8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.139 5.208 7.259 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.422 4.229 7.943 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.967 6.295 9.611 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.314 4.685 9.381 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.848 4.012 10.070 1.00 0.00 H new ATOM 0 HD3 ARG A 114 6.747 5.556 10.893 1.00 0.00 H new ATOM 0 HE ARG A 114 4.795 3.320 11.349 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.777 6.018 12.472 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.269 5.842 14.155 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.146 3.103 13.512 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.786 4.198 14.741 1.00 0.00 H new ATOM 1726 N CYS A 115 8.211 6.375 5.732 1.00 0.00 N ATOM 1727 CA CYS A 115 9.267 5.950 4.822 1.00 0.00 C ATOM 1728 C CYS A 115 10.329 7.027 4.634 1.00 0.00 C ATOM 1729 O CYS A 115 11.523 6.735 4.660 1.00 0.00 O ATOM 1730 CB CYS A 115 8.678 5.575 3.466 1.00 0.00 C ATOM 1731 SG CYS A 115 9.886 4.834 2.328 1.00 0.00 S ATOM 0 H CYS A 115 7.628 7.136 5.383 1.00 0.00 H new ATOM 0 HA CYS A 115 9.746 5.080 5.271 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.857 4.875 3.617 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.255 6.467 3.004 1.00 0.00 H new ATOM 1736 N LYS A 116 9.893 8.267 4.435 1.00 0.00 N ATOM 1737 CA LYS A 116 10.818 9.375 4.231 1.00 0.00 C ATOM 1738 C LYS A 116 11.770 9.522 5.414 1.00 0.00 C ATOM 1739 O LYS A 116 11.462 10.210 6.388 1.00 0.00 O ATOM 1740 CB LYS A 116 10.046 10.678 4.018 1.00 0.00 C ATOM 1741 CG LYS A 116 10.931 11.857 3.646 1.00 0.00 C ATOM 1742 CD LYS A 116 11.308 11.831 2.174 1.00 0.00 C ATOM 1743 CE LYS A 116 12.760 12.225 1.963 1.00 0.00 C ATOM 1744 NZ LYS A 116 13.358 11.536 0.787 1.00 0.00 N ATOM 0 H LYS A 116 8.907 8.529 4.411 1.00 0.00 H new ATOM 0 HA LYS A 116 11.409 9.159 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.306 10.528 3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.498 10.919 4.929 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.412 12.788 3.873 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.835 11.840 4.254 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.139 10.832 1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.661 12.511 1.620 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.827 13.304 1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.335 11.983 2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 14.349 11.832 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.318 10.507 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.825 11.787 -0.070 1.00 0.00 H new ATOM 1758 N GLY A 117 12.928 8.875 5.321 1.00 0.00 N ATOM 1759 CA GLY A 117 13.905 8.955 6.390 1.00 0.00 C ATOM 1760 C GLY A 117 14.562 7.622 6.694 1.00 0.00 C ATOM 1761 O GLY A 117 15.386 7.531 7.604 1.00 0.00 O ATOM 0 H GLY A 117 13.206 8.299 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.673 9.679 6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.419 9.328 7.292 1.00 0.00 H new ATOM 1765 N THR A 118 14.206 6.585 5.940 1.00 0.00 N ATOM 1766 CA THR A 118 14.777 5.258 6.151 1.00 0.00 C ATOM 1767 C THR A 118 15.512 4.776 4.901 1.00 0.00 C ATOM 1768 O THR A 118 16.058 5.580 4.146 1.00 0.00 O ATOM 1769 CB THR A 118 13.689 4.235 6.529 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.757 4.089 5.451 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.953 4.669 7.788 1.00 0.00 C ATOM 0 H THR A 118 13.527 6.638 5.180 1.00 0.00 H new ATOM 0 HA THR A 118 15.485 5.339 6.975 1.00 0.00 H new ATOM 0 HB THR A 118 14.173 3.277 6.722 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.367 4.962 5.236 1.00 0.00 H new ATOM 0 HG21 THR A 118 12.190 3.931 8.036 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.660 4.750 8.613 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.481 5.637 7.618 1.00 0.00 H new ATOM 1779 N ASP A 119 15.528 3.461 4.686 1.00 0.00 N ATOM 1780 CA ASP A 119 16.201 2.886 3.529 1.00 0.00 C ATOM 1781 C ASP A 119 15.344 1.825 2.843 1.00 0.00 C ATOM 1782 O ASP A 119 15.091 0.758 3.403 1.00 0.00 O ATOM 1783 CB ASP A 119 17.527 2.289 3.936 1.00 0.00 C ATOM 1784 CG ASP A 119 18.558 2.346 2.826 1.00 0.00 C ATOM 1785 OD1 ASP A 119 19.229 3.392 2.693 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.694 1.347 2.089 1.00 0.00 O ATOM 0 H ASP A 119 15.083 2.778 5.298 1.00 0.00 H new ATOM 0 HA ASP A 119 16.370 3.693 2.816 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.908 2.820 4.808 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.378 1.252 4.235 1.00 0.00 H new ATOM 1791 N VAL A 120 14.905 2.128 1.624 1.00 0.00 N ATOM 1792 CA VAL A 120 14.082 1.212 0.849 1.00 0.00 C ATOM 1793 C VAL A 120 14.938 0.122 0.220 1.00 0.00 C ATOM 1794 O VAL A 120 14.478 -1.001 0.014 1.00 0.00 O ATOM 1795 CB VAL A 120 13.309 1.952 -0.260 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.370 2.985 0.343 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.270 2.605 -1.241 1.00 0.00 C ATOM 0 H VAL A 120 15.109 3.009 1.151 1.00 0.00 H new ATOM 0 HA VAL A 120 13.365 0.762 1.536 1.00 0.00 H new ATOM 0 HB VAL A 120 12.710 1.223 -0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.833 3.498 -0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.656 2.488 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.947 3.711 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.704 3.122 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.899 3.321 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.897 1.840 -1.699 1.00 0.00 H new ATOM 1807 N GLN A 121 16.192 0.459 -0.069 1.00 0.00 N ATOM 1808 CA GLN A 121 17.117 -0.500 -0.657 1.00 0.00 C ATOM 1809 C GLN A 121 17.263 -1.696 0.271 1.00 0.00 C ATOM 1810 O GLN A 121 17.572 -2.805 -0.162 1.00 0.00 O ATOM 1811 CB GLN A 121 18.482 0.150 -0.900 1.00 0.00 C ATOM 1812 CG GLN A 121 19.018 -0.073 -2.305 1.00 0.00 C ATOM 1813 CD GLN A 121 20.482 -0.467 -2.314 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.943 -1.206 -1.445 1.00 0.00 O ATOM 1815 NE2 GLN A 121 21.222 0.027 -3.300 1.00 0.00 N ATOM 0 H GLN A 121 16.588 1.385 0.094 1.00 0.00 H new ATOM 0 HA GLN A 121 16.722 -0.833 -1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.403 1.221 -0.715 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.198 -0.246 -0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.433 -0.852 -2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.887 0.838 -2.889 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.798 0.636 -4.000 1.00 0.00 H new ATOM 0 HE22 GLN A 121 22.214 -0.203 -3.358 1.00 0.00 H new ATOM 1824 N ALA A 122 17.017 -1.453 1.555 1.00 0.00 N ATOM 1825 CA ALA A 122 17.096 -2.496 2.564 1.00 0.00 C ATOM 1826 C ALA A 122 15.743 -3.178 2.730 1.00 0.00 C ATOM 1827 O ALA A 122 15.660 -4.295 3.241 1.00 0.00 O ATOM 1828 CB ALA A 122 17.567 -1.917 3.889 1.00 0.00 C ATOM 0 H ALA A 122 16.760 -0.536 1.920 1.00 0.00 H new ATOM 0 HA ALA A 122 17.820 -3.242 2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.621 -2.711 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.554 -1.472 3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.865 -1.153 4.223 1.00 0.00 H new ATOM 1834 N TRP A 123 14.684 -2.501 2.285 1.00 0.00 N ATOM 1835 CA TRP A 123 13.335 -3.056 2.381 1.00 0.00 C ATOM 1836 C TRP A 123 13.196 -4.297 1.505 1.00 0.00 C ATOM 1837 O TRP A 123 12.289 -5.107 1.700 1.00 0.00 O ATOM 1838 CB TRP A 123 12.291 -2.015 1.972 1.00 0.00 C ATOM 1839 CG TRP A 123 11.790 -1.185 3.115 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.595 0.164 3.118 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.412 -1.645 4.421 1.00 0.00 C ATOM 1842 NE1 TRP A 123 11.125 0.570 4.343 1.00 0.00 N ATOM 1843 CE2 TRP A 123 11.007 -0.526 5.156 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.379 -2.893 5.041 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.577 -0.626 6.471 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.952 -2.990 6.346 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.554 -1.860 7.051 1.00 0.00 C ATOM 0 H TRP A 123 14.733 -1.576 1.858 1.00 0.00 H new ATOM 0 HA TRP A 123 13.164 -3.338 3.420 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.723 -1.357 1.218 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.447 -2.523 1.506 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.783 0.818 2.279 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.901 1.530 4.604 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.686 -3.777 4.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.268 0.251 7.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.926 -3.956 6.828 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.222 -1.961 8.074 1.00 0.00 H new ATOM 1858 N ILE A 124 14.100 -4.441 0.542 1.00 0.00 N ATOM 1859 CA ILE A 124 14.080 -5.585 -0.363 1.00 0.00 C ATOM 1860 C ILE A 124 15.420 -6.313 -0.356 1.00 0.00 C ATOM 1861 O ILE A 124 15.664 -7.197 -1.177 1.00 0.00 O ATOM 1862 CB ILE A 124 13.747 -5.159 -1.805 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.650 -4.002 -2.241 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.281 -4.767 -1.917 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.523 -4.335 -3.432 1.00 0.00 C ATOM 0 H ILE A 124 14.856 -3.779 0.368 1.00 0.00 H new ATOM 0 HA ILE A 124 13.301 -6.257 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 124 13.928 -6.005 -2.468 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.030 -3.139 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.285 -3.712 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.061 -4.468 -2.942 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.655 -5.617 -1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 124 12.075 -3.934 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 124 16.136 -3.471 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 124 16.168 -5.178 -3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.894 -4.596 -4.283 1.00 0.00 H new ATOM 1877 N ARG A 125 16.287 -5.931 0.577 1.00 0.00 N ATOM 1878 CA ARG A 125 17.605 -6.543 0.696 1.00 0.00 C ATOM 1879 C ARG A 125 17.491 -8.008 1.106 1.00 0.00 C ATOM 1880 O ARG A 125 17.357 -8.323 2.289 1.00 0.00 O ATOM 1881 CB ARG A 125 18.455 -5.781 1.714 1.00 0.00 C ATOM 1882 CG ARG A 125 19.937 -5.761 1.376 1.00 0.00 C ATOM 1883 CD ARG A 125 20.299 -4.552 0.528 1.00 0.00 C ATOM 1884 NE ARG A 125 20.759 -4.936 -0.803 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.836 -4.419 -1.388 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.561 -3.501 -0.761 1.00 0.00 N ATOM 1887 NH2 ARG A 125 22.191 -4.821 -2.601 1.00 0.00 N ATOM 0 H ARG A 125 16.099 -5.199 1.262 1.00 0.00 H new ATOM 0 HA ARG A 125 18.089 -6.495 -0.280 1.00 0.00 H new ATOM 0 HB2 ARG A 125 18.093 -4.755 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.321 -6.232 2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.521 -5.749 2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.202 -6.674 0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.431 -3.900 0.437 1.00 0.00 H new ATOM 0 HD3 ARG A 125 21.078 -3.978 1.029 1.00 0.00 H new ATOM 0 HE ARG A 125 20.225 -5.640 -1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.293 -3.190 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.386 -3.107 -1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.638 -5.527 -3.086 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.017 -4.424 -3.049 1.00 0.00 H new ATOM 1901 N GLY A 126 17.545 -8.900 0.121 1.00 0.00 N ATOM 1902 CA GLY A 126 17.449 -10.322 0.399 1.00 0.00 C ATOM 1903 C GLY A 126 16.229 -10.958 -0.239 1.00 0.00 C ATOM 1904 O GLY A 126 16.012 -12.163 -0.114 1.00 0.00 O ATOM 0 H GLY A 126 17.654 -8.663 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.347 -10.821 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.413 -10.476 1.477 1.00 0.00 H new ATOM 1908 N CYS A 127 15.428 -10.145 -0.921 1.00 0.00 N ATOM 1909 CA CYS A 127 14.224 -10.628 -1.578 1.00 0.00 C ATOM 1910 C CYS A 127 14.555 -11.610 -2.697 1.00 0.00 C ATOM 1911 O CYS A 127 15.715 -11.970 -2.900 1.00 0.00 O ATOM 1912 CB CYS A 127 13.427 -9.461 -2.123 1.00 0.00 C ATOM 1913 SG CYS A 127 12.196 -8.792 -0.959 1.00 0.00 S ATOM 0 H CYS A 127 15.594 -9.145 -1.032 1.00 0.00 H new ATOM 0 HA CYS A 127 13.625 -11.158 -0.837 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.116 -8.664 -2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.917 -9.777 -3.033 1.00 0.00 H new ATOM 1918 N ARG A 128 13.528 -12.039 -3.422 1.00 0.00 N ATOM 1919 CA ARG A 128 13.706 -12.980 -4.521 1.00 0.00 C ATOM 1920 C ARG A 128 12.889 -12.559 -5.738 1.00 0.00 C ATOM 1921 O ARG A 128 11.758 -13.007 -5.925 1.00 0.00 O ATOM 1922 CB ARG A 128 13.304 -14.391 -4.084 1.00 0.00 C ATOM 1923 CG ARG A 128 14.245 -15.002 -3.059 1.00 0.00 C ATOM 1924 CD ARG A 128 13.871 -16.442 -2.749 1.00 0.00 C ATOM 1925 NE ARG A 128 13.837 -16.700 -1.312 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.808 -17.920 -0.782 1.00 0.00 C ATOM 1927 NH1 ARG A 128 13.810 -18.989 -1.568 1.00 0.00 N ATOM 1928 NH2 ARG A 128 13.778 -18.072 0.534 1.00 0.00 N ATOM 0 H ARG A 128 12.562 -11.749 -3.268 1.00 0.00 H new ATOM 0 HA ARG A 128 14.760 -12.980 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.297 -14.360 -3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.267 -15.037 -4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.268 -14.963 -3.434 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.219 -14.413 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 128 12.895 -16.664 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 128 14.589 -17.113 -3.221 1.00 0.00 H new ATOM 0 HE ARG A 128 13.835 -15.900 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.834 -18.877 -2.582 1.00 0.00 H new ATOM 0 HH12 ARG A 128 13.788 -19.923 -1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 128 13.777 -17.253 1.142 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.756 -19.008 0.939 1.00 0.00 H new ATOM 1942 N LEU A 129 13.470 -11.694 -6.563 1.00 0.00 N ATOM 1943 CA LEU A 129 12.796 -11.209 -7.763 1.00 0.00 C ATOM 1944 C LEU A 129 13.620 -11.515 -9.009 1.00 0.00 C ATOM 1945 O LEU A 129 14.783 -11.945 -8.859 1.00 0.00 O ATOM 1946 CB LEU A 129 12.543 -9.704 -7.660 1.00 0.00 C ATOM 1947 CG LEU A 129 12.431 -9.159 -6.235 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.569 -7.643 -6.230 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.111 -9.577 -5.606 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.095 -11.320 -10.126 1.00 0.00 O ATOM 0 H LEU A 129 14.406 -11.314 -6.423 1.00 0.00 H new ATOM 0 HA LEU A 129 11.839 -11.725 -7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 129 13.351 -9.180 -8.170 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.623 -9.469 -8.195 1.00 0.00 H new ATOM 0 HG LEU A 129 13.243 -9.580 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.487 -7.274 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.540 -7.365 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.779 -7.204 -6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 129 11.049 -9.180 -4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.285 -9.186 -6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.052 -10.665 -5.574 1.00 0.00 H new TER 1962 LEU A 129