USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 986 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 HIS : no HE2:sc= -2.29! C(o=-3.2!,f=-4.4!) USER MOD Set 1.2: A 115 HIS : no HE2:sc= -0.931 K(o=-3.2,f=-4.1) USER MOD Set 2.1: A 54 TYR OH : rot 12:sc= -1.71 USER MOD Set 2.2: A 61 SER OG : rot 132:sc= -1.06! USER MOD Set 3.1: A 44 ASN : amide:sc= 0 X(o=-2.3,f=-2.3) USER MOD Set 3.2: A 46 ASN : amide:sc= -2.32 K(o=-2.3,f=-3.3) USER MOD Set 4.1: A 1 LYS N :NH3+ 136:sc= -3.6! (180deg=-7.87!) USER MOD Set 4.2: A 40 THR OG1 : rot 72:sc= 0.556 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -138:sc= -0.589 (180deg=-4.15!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -120:sc= -1.94! USER MOD Single : A 37 ASN : amide:sc= -1.69 K(o=-1.7,f=-5.8) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.45! C(o=-1.4!,f=-6.1!) USER MOD Single : A 43 THR OG1 : rot -99:sc= 1.02 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -2.28! C(o=-2.3!,f=-2.3!) USER MOD Single : A 51 SER OG : rot 75:sc= 0.802 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.973 USER MOD Single : A 58 GLN : amide:sc= -0.0895 X(o=-0.089,f=-0.31) USER MOD Single : A 60 ASN : amide:sc= -0.5 X(o=-0.5,f=-0.43) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN :FLIP amide:sc= -2.06! C(o=-3!,f=-2.1!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.52! C(o=-2.5!,f=-5.9!) USER MOD Single : A 80 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.98) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.272 X(o=-0.27,f=-0.027) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.85) USER MOD Single : A 117 GLN : amide:sc= -0.19 K(o=-0.19,f=-2.2!) USER MOD Single : A 118 ASN : amide:sc= -0.0179 X(o=-0.018,f=-0.017) USER MOD Single : A 122 SER OG : rot -25:sc= 0.205 USER MOD Single : A 123 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.051) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -4.654 6.364 6.154 1.00 0.00 N ATOM 2 CA LYS A 1 -4.834 7.343 7.212 1.00 0.00 C ATOM 3 C LYS A 1 -3.988 6.942 8.422 1.00 0.00 C ATOM 4 O LYS A 1 -2.833 7.349 8.538 1.00 0.00 O ATOM 5 CB LYS A 1 -6.320 7.518 7.532 1.00 0.00 C ATOM 6 CG LYS A 1 -6.527 8.578 8.616 1.00 0.00 C ATOM 7 CD LYS A 1 -7.466 8.068 9.710 1.00 0.00 C ATOM 8 CE LYS A 1 -7.566 9.072 10.860 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.177 8.439 12.050 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.577 6.131 5.736 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.030 6.757 5.420 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.225 5.502 6.548 1.00 0.00 H new ATOM 0 HA LYS A 1 -4.483 8.323 6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.858 7.806 6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.739 6.568 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.566 8.848 9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.940 9.483 8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.456 7.891 9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.104 7.112 10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.574 9.447 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.163 9.930 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.237 9.135 12.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.132 8.102 11.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.592 7.635 12.354 1.00 0.00 H new ATOM 23 N VAL A 2 -4.596 6.150 9.293 1.00 0.00 N ATOM 24 CA VAL A 2 -3.913 5.691 10.491 1.00 0.00 C ATOM 25 C VAL A 2 -4.368 4.267 10.818 1.00 0.00 C ATOM 26 O VAL A 2 -5.521 4.052 11.191 1.00 0.00 O ATOM 27 CB VAL A 2 -4.149 6.673 11.639 1.00 0.00 C ATOM 28 CG1 VAL A 2 -3.518 6.164 12.936 1.00 0.00 C ATOM 29 CG2 VAL A 2 -3.625 8.066 11.284 1.00 0.00 C ATOM 0 H VAL A 2 -5.554 5.814 9.193 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.836 5.659 10.327 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.225 6.749 11.798 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.701 6.882 13.736 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.959 5.203 13.203 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.444 6.044 12.795 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.805 8.746 12.117 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.555 8.012 11.084 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.141 8.434 10.397 1.00 0.00 H new ATOM 39 N TYR A 3 -3.442 3.333 10.666 1.00 0.00 N ATOM 40 CA TYR A 3 -3.735 1.937 10.940 1.00 0.00 C ATOM 41 C TYR A 3 -2.446 1.129 11.107 1.00 0.00 C ATOM 42 O TYR A 3 -1.476 1.344 10.382 1.00 0.00 O ATOM 43 CB TYR A 3 -4.494 1.416 9.719 1.00 0.00 C ATOM 44 CG TYR A 3 -5.824 2.128 9.463 1.00 0.00 C ATOM 45 CD1 TYR A 3 -6.850 2.023 10.380 1.00 0.00 C ATOM 46 CD2 TYR A 3 -5.997 2.875 8.316 1.00 0.00 C ATOM 47 CE1 TYR A 3 -8.103 2.693 10.139 1.00 0.00 C ATOM 48 CE2 TYR A 3 -7.250 3.545 8.075 1.00 0.00 C ATOM 49 CZ TYR A 3 -8.240 3.420 8.999 1.00 0.00 C ATOM 50 OH TYR A 3 -9.423 4.053 8.772 1.00 0.00 O ATOM 0 H TYR A 3 -2.487 3.516 10.356 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.310 1.840 11.861 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -3.861 1.522 8.838 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -4.683 0.350 9.849 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -6.714 1.439 11.278 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -5.194 2.958 7.599 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -8.914 2.619 10.848 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.399 4.133 7.181 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.378 4.535 7.920 1.00 0.00 H new ATOM 60 N GLU A 4 -2.478 0.217 12.068 1.00 0.00 N ATOM 61 CA GLU A 4 -1.324 -0.625 12.339 1.00 0.00 C ATOM 62 C GLU A 4 -1.583 -2.053 11.856 1.00 0.00 C ATOM 63 O GLU A 4 -2.678 -2.365 11.388 1.00 0.00 O ATOM 64 CB GLU A 4 -0.969 -0.605 13.827 1.00 0.00 C ATOM 65 CG GLU A 4 -2.050 -1.300 14.658 1.00 0.00 C ATOM 66 CD GLU A 4 -2.060 -0.774 16.094 1.00 0.00 C ATOM 67 OE1 GLU A 4 -1.920 0.458 16.248 1.00 0.00 O ATOM 68 OE2 GLU A 4 -2.208 -1.617 17.006 1.00 0.00 O ATOM 0 H GLU A 4 -3.284 0.043 12.668 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.471 -0.227 11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.011 -1.101 13.983 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.853 0.425 14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.026 -1.138 14.201 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.875 -2.376 14.662 1.00 0.00 H new ATOM 75 N ARG A 5 -0.558 -2.883 11.986 1.00 0.00 N ATOM 76 CA ARG A 5 -0.661 -4.270 11.568 1.00 0.00 C ATOM 77 C ARG A 5 -2.062 -4.811 11.863 1.00 0.00 C ATOM 78 O ARG A 5 -2.800 -5.168 10.945 1.00 0.00 O ATOM 79 CB ARG A 5 0.375 -5.140 12.284 1.00 0.00 C ATOM 80 CG ARG A 5 0.841 -4.478 13.582 1.00 0.00 C ATOM 81 CD ARG A 5 1.330 -5.525 14.586 1.00 0.00 C ATOM 82 NE ARG A 5 1.952 -4.857 15.751 1.00 0.00 N ATOM 83 CZ ARG A 5 2.714 -5.483 16.658 1.00 0.00 C ATOM 84 NH1 ARG A 5 2.954 -6.796 16.539 1.00 0.00 N ATOM 85 NH2 ARG A 5 3.236 -4.797 17.684 1.00 0.00 N ATOM 0 H ARG A 5 0.348 -2.621 12.375 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.471 -4.308 10.495 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -0.055 -6.117 12.504 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.230 -5.307 11.629 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.643 -3.772 13.367 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.022 -3.906 14.017 1.00 0.00 H new ATOM 0 HD2 ARG A 5 0.495 -6.144 14.914 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.051 -6.189 14.109 1.00 0.00 H new ATOM 0 HE ARG A 5 1.790 -3.857 15.871 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.557 -7.318 15.758 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.534 -7.273 17.229 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.053 -3.798 17.775 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.816 -5.274 18.374 1.00 0.00 H new ATOM 99 N CYS A 6 -2.387 -4.854 13.147 1.00 0.00 N ATOM 100 CA CYS A 6 -3.686 -5.345 13.574 1.00 0.00 C ATOM 101 C CYS A 6 -4.763 -4.638 12.747 1.00 0.00 C ATOM 102 O CYS A 6 -5.271 -5.198 11.776 1.00 0.00 O ATOM 103 CB CYS A 6 -3.900 -5.146 15.076 1.00 0.00 C ATOM 104 SG CYS A 6 -2.717 -6.045 16.144 1.00 0.00 S ATOM 0 H CYS A 6 -1.773 -4.557 13.905 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.745 -6.420 13.403 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.834 -4.081 15.300 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.911 -5.463 15.330 1.00 0.00 H new ATOM 109 N GLU A 7 -5.077 -3.420 13.161 1.00 0.00 N ATOM 110 CA GLU A 7 -6.084 -2.632 12.469 1.00 0.00 C ATOM 111 C GLU A 7 -6.043 -2.919 10.967 1.00 0.00 C ATOM 112 O GLU A 7 -7.000 -3.454 10.408 1.00 0.00 O ATOM 113 CB GLU A 7 -5.897 -1.139 12.748 1.00 0.00 C ATOM 114 CG GLU A 7 -6.880 -0.654 13.815 1.00 0.00 C ATOM 115 CD GLU A 7 -6.200 -0.552 15.182 1.00 0.00 C ATOM 116 OE1 GLU A 7 -6.099 -1.606 15.846 1.00 0.00 O ATOM 117 OE2 GLU A 7 -5.795 0.578 15.531 1.00 0.00 O ATOM 0 H GLU A 7 -4.653 -2.959 13.966 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.066 -2.919 12.846 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.875 -0.952 13.078 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.044 -0.572 11.829 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.280 0.319 13.530 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.725 -1.340 13.875 1.00 0.00 H new ATOM 124 N PHE A 8 -4.927 -2.549 10.356 1.00 0.00 N ATOM 125 CA PHE A 8 -4.749 -2.760 8.930 1.00 0.00 C ATOM 126 C PHE A 8 -5.229 -4.153 8.517 1.00 0.00 C ATOM 127 O PHE A 8 -5.967 -4.296 7.544 1.00 0.00 O ATOM 128 CB PHE A 8 -3.251 -2.645 8.644 1.00 0.00 C ATOM 129 CG PHE A 8 -2.919 -2.338 7.182 1.00 0.00 C ATOM 130 CD1 PHE A 8 -3.354 -1.181 6.614 1.00 0.00 C ATOM 131 CD2 PHE A 8 -2.187 -3.221 6.451 1.00 0.00 C ATOM 132 CE1 PHE A 8 -3.045 -0.896 5.258 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.879 -2.936 5.095 1.00 0.00 C ATOM 134 CZ PHE A 8 -2.314 -1.780 4.526 1.00 0.00 C ATOM 0 H PHE A 8 -4.137 -2.104 10.823 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.328 -2.025 8.371 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.830 -1.861 9.274 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.764 -3.578 8.928 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.934 -0.479 7.195 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.840 -4.139 6.902 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.390 0.023 4.807 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.299 -3.638 4.515 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.080 -1.564 3.494 1.00 0.00 H new ATOM 144 N ALA A 9 -4.791 -5.145 9.278 1.00 0.00 N ATOM 145 CA ALA A 9 -5.166 -6.522 9.004 1.00 0.00 C ATOM 146 C ALA A 9 -6.690 -6.651 9.059 1.00 0.00 C ATOM 147 O ALA A 9 -7.313 -7.099 8.099 1.00 0.00 O ATOM 148 CB ALA A 9 -4.466 -7.450 9.999 1.00 0.00 C ATOM 0 H ALA A 9 -4.179 -5.023 10.085 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.846 -6.815 8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.747 -8.483 9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.386 -7.342 9.900 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.765 -7.188 11.014 1.00 0.00 H new ATOM 154 N ARG A 10 -7.245 -6.249 10.193 1.00 0.00 N ATOM 155 CA ARG A 10 -8.684 -6.314 10.386 1.00 0.00 C ATOM 156 C ARG A 10 -9.408 -5.710 9.182 1.00 0.00 C ATOM 157 O ARG A 10 -10.204 -6.385 8.529 1.00 0.00 O ATOM 158 CB ARG A 10 -9.104 -5.566 11.653 1.00 0.00 C ATOM 159 CG ARG A 10 -10.508 -5.984 12.097 1.00 0.00 C ATOM 160 CD ARG A 10 -11.017 -5.085 13.224 1.00 0.00 C ATOM 161 NE ARG A 10 -12.363 -4.569 12.892 1.00 0.00 N ATOM 162 CZ ARG A 10 -12.958 -3.554 13.533 1.00 0.00 C ATOM 163 NH1 ARG A 10 -12.330 -2.940 14.545 1.00 0.00 N ATOM 164 NH2 ARG A 10 -14.183 -3.152 13.163 1.00 0.00 N ATOM 0 H ARG A 10 -6.724 -5.877 10.987 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.958 -7.364 10.490 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.391 -5.768 12.452 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.081 -4.492 11.470 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.192 -5.933 11.249 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.493 -7.021 12.433 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.054 -5.645 14.158 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.328 -4.254 13.377 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.870 -5.014 12.127 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.399 -3.245 14.828 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.783 -2.167 15.033 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.662 -3.619 12.393 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.635 -2.379 13.651 1.00 0.00 H new ATOM 178 N THR A 11 -9.108 -4.447 8.923 1.00 0.00 N ATOM 179 CA THR A 11 -9.721 -3.745 7.808 1.00 0.00 C ATOM 180 C THR A 11 -9.560 -4.550 6.517 1.00 0.00 C ATOM 181 O THR A 11 -10.539 -4.824 5.826 1.00 0.00 O ATOM 182 CB THR A 11 -9.105 -2.346 7.733 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.682 -1.653 8.836 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.581 -1.561 6.509 1.00 0.00 C ATOM 0 H THR A 11 -8.448 -3.890 9.466 1.00 0.00 H new ATOM 0 HA THR A 11 -10.796 -3.635 7.953 1.00 0.00 H new ATOM 0 HB THR A 11 -8.018 -2.429 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.336 -0.737 8.864 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.114 -0.576 6.504 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.304 -2.098 5.602 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.664 -1.449 6.548 1.00 0.00 H new ATOM 192 N LEU A 12 -8.315 -4.906 6.232 1.00 0.00 N ATOM 193 CA LEU A 12 -8.013 -5.674 5.036 1.00 0.00 C ATOM 194 C LEU A 12 -8.997 -6.841 4.922 1.00 0.00 C ATOM 195 O LEU A 12 -9.646 -7.010 3.891 1.00 0.00 O ATOM 196 CB LEU A 12 -6.545 -6.106 5.034 1.00 0.00 C ATOM 197 CG LEU A 12 -5.677 -5.523 3.916 1.00 0.00 C ATOM 198 CD1 LEU A 12 -5.488 -4.016 4.099 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.341 -6.261 3.819 1.00 0.00 C ATOM 0 H LEU A 12 -7.505 -4.677 6.808 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.142 -5.059 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.104 -5.829 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.507 -7.193 4.968 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.195 -5.670 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.868 -3.626 3.292 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.460 -3.523 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.002 -3.824 5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.743 -5.827 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.804 -6.167 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.522 -7.315 3.607 1.00 0.00 H new ATOM 211 N LYS A 13 -9.075 -7.614 5.995 1.00 0.00 N ATOM 212 CA LYS A 13 -9.969 -8.759 6.028 1.00 0.00 C ATOM 213 C LYS A 13 -11.416 -8.274 5.938 1.00 0.00 C ATOM 214 O LYS A 13 -12.279 -8.978 5.416 1.00 0.00 O ATOM 215 CB LYS A 13 -9.685 -9.624 7.257 1.00 0.00 C ATOM 216 CG LYS A 13 -10.395 -10.975 7.153 1.00 0.00 C ATOM 217 CD LYS A 13 -9.836 -11.801 5.992 1.00 0.00 C ATOM 218 CE LYS A 13 -10.030 -13.298 6.241 1.00 0.00 C ATOM 219 NZ LYS A 13 -8.725 -13.958 6.467 1.00 0.00 N ATOM 0 H LYS A 13 -8.534 -7.470 6.848 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.795 -9.403 5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.611 -9.780 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.015 -9.104 8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.275 -11.525 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.464 -10.818 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.333 -11.515 5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.775 -11.584 5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.675 -13.448 7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.531 -13.753 5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.874 -14.974 6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.122 -13.830 5.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.261 -13.535 7.296 1.00 0.00 H new ATOM 233 N ARG A 14 -11.638 -7.075 6.457 1.00 0.00 N ATOM 234 CA ARG A 14 -12.967 -6.487 6.441 1.00 0.00 C ATOM 235 C ARG A 14 -13.314 -5.996 5.035 1.00 0.00 C ATOM 236 O ARG A 14 -14.487 -5.896 4.680 1.00 0.00 O ATOM 237 CB ARG A 14 -13.063 -5.316 7.421 1.00 0.00 C ATOM 238 CG ARG A 14 -14.516 -4.880 7.615 1.00 0.00 C ATOM 239 CD ARG A 14 -15.057 -5.357 8.964 1.00 0.00 C ATOM 240 NE ARG A 14 -15.883 -6.572 8.777 1.00 0.00 N ATOM 241 CZ ARG A 14 -15.391 -7.818 8.751 1.00 0.00 C ATOM 242 NH1 ARG A 14 -14.076 -8.023 8.901 1.00 0.00 N ATOM 243 NH2 ARG A 14 -16.215 -8.860 8.577 1.00 0.00 N ATOM 0 H ARG A 14 -10.920 -6.495 6.891 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.674 -7.259 6.744 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.635 -5.605 8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.475 -4.477 7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.584 -3.794 7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -15.131 -5.283 6.810 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.230 -5.570 9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -15.653 -4.569 9.425 1.00 0.00 H new ATOM 0 HE ARG A 14 -16.889 -6.453 8.661 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -13.448 -7.230 9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.702 -8.972 8.881 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.217 -8.705 8.464 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -15.841 -9.809 8.557 1.00 0.00 H new ATOM 257 N ASN A 15 -12.272 -5.701 4.271 1.00 0.00 N ATOM 258 CA ASN A 15 -12.452 -5.222 2.912 1.00 0.00 C ATOM 259 C ASN A 15 -12.495 -6.416 1.956 1.00 0.00 C ATOM 260 O ASN A 15 -13.304 -6.446 1.030 1.00 0.00 O ATOM 261 CB ASN A 15 -11.292 -4.319 2.487 1.00 0.00 C ATOM 262 CG ASN A 15 -11.794 -3.132 1.662 1.00 0.00 C ATOM 263 OD1 ASN A 15 -12.171 -2.096 2.183 1.00 0.00 O ATOM 264 ND2 ASN A 15 -11.777 -3.342 0.349 1.00 0.00 N ATOM 0 H ASN A 15 -11.300 -5.785 4.568 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.382 -4.655 2.876 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.767 -3.956 3.370 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.574 -4.894 1.903 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.092 -2.611 -0.289 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.448 -4.234 -0.021 1.00 0.00 H new ATOM 271 N GLY A 16 -11.615 -7.372 2.215 1.00 0.00 N ATOM 272 CA GLY A 16 -11.542 -8.565 1.389 1.00 0.00 C ATOM 273 C GLY A 16 -10.218 -8.624 0.625 1.00 0.00 C ATOM 274 O GLY A 16 -10.178 -9.069 -0.521 1.00 0.00 O ATOM 0 H GLY A 16 -10.947 -7.345 2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.644 -9.452 2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.373 -8.575 0.684 1.00 0.00 H new ATOM 278 N MET A 17 -9.167 -8.168 1.289 1.00 0.00 N ATOM 279 CA MET A 17 -7.845 -8.162 0.687 1.00 0.00 C ATOM 280 C MET A 17 -6.889 -9.076 1.455 1.00 0.00 C ATOM 281 O MET A 17 -5.985 -9.670 0.868 1.00 0.00 O ATOM 282 CB MET A 17 -7.293 -6.735 0.681 1.00 0.00 C ATOM 283 CG MET A 17 -7.069 -6.240 -0.749 1.00 0.00 C ATOM 284 SD MET A 17 -5.364 -6.482 -1.221 1.00 0.00 S ATOM 285 CE MET A 17 -5.054 -4.939 -2.062 1.00 0.00 C ATOM 0 H MET A 17 -9.204 -7.800 2.239 1.00 0.00 H new ATOM 0 HA MET A 17 -7.930 -8.532 -0.335 1.00 0.00 H new ATOM 0 HB2 MET A 17 -7.987 -6.070 1.195 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.353 -6.702 1.232 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.724 -6.777 -1.435 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.328 -5.184 -0.821 1.00 0.00 H new ATOM 0 HE1 MET A 17 -4.478 -5.128 -2.968 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.003 -4.471 -2.326 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.492 -4.274 -1.407 1.00 0.00 H new ATOM 295 N ALA A 18 -7.119 -9.161 2.757 1.00 0.00 N ATOM 296 CA ALA A 18 -6.289 -9.993 3.612 1.00 0.00 C ATOM 297 C ALA A 18 -6.381 -11.447 3.145 1.00 0.00 C ATOM 298 O ALA A 18 -7.407 -12.099 3.333 1.00 0.00 O ATOM 299 CB ALA A 18 -6.722 -9.819 5.069 1.00 0.00 C ATOM 0 H ALA A 18 -7.869 -8.667 3.241 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.244 -9.691 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.100 -10.443 5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.610 -8.774 5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.765 -10.116 5.176 1.00 0.00 H new ATOM 305 N GLY A 19 -5.295 -11.913 2.547 1.00 0.00 N ATOM 306 CA GLY A 19 -5.241 -13.278 2.051 1.00 0.00 C ATOM 307 C GLY A 19 -5.730 -13.357 0.604 1.00 0.00 C ATOM 308 O GLY A 19 -6.275 -14.375 0.183 1.00 0.00 O ATOM 0 H GLY A 19 -4.445 -11.370 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.219 -13.651 2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.854 -13.922 2.681 1.00 0.00 H new ATOM 312 N TYR A 20 -5.516 -12.267 -0.119 1.00 0.00 N ATOM 313 CA TYR A 20 -5.928 -12.199 -1.510 1.00 0.00 C ATOM 314 C TYR A 20 -5.469 -13.441 -2.279 1.00 0.00 C ATOM 315 O TYR A 20 -4.804 -14.310 -1.720 1.00 0.00 O ATOM 316 CB TYR A 20 -5.237 -10.967 -2.096 1.00 0.00 C ATOM 317 CG TYR A 20 -5.995 -10.321 -3.258 1.00 0.00 C ATOM 318 CD1 TYR A 20 -7.327 -9.991 -3.115 1.00 0.00 C ATOM 319 CD2 TYR A 20 -5.346 -10.070 -4.450 1.00 0.00 C ATOM 320 CE1 TYR A 20 -8.040 -9.384 -4.209 1.00 0.00 C ATOM 321 CE2 TYR A 20 -6.059 -9.463 -5.543 1.00 0.00 C ATOM 322 CZ TYR A 20 -7.371 -9.149 -5.370 1.00 0.00 C ATOM 323 OH TYR A 20 -8.044 -8.577 -6.402 1.00 0.00 O ATOM 0 H TYR A 20 -5.062 -11.424 0.233 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.014 -12.144 -1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.105 -10.227 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.241 -11.250 -2.438 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.835 -10.188 -2.182 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.304 -10.329 -4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.083 -9.121 -4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.563 -9.261 -6.481 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.440 -8.468 -7.166 1.00 0.00 H new ATOM 333 N TYR A 21 -5.842 -13.481 -3.550 1.00 0.00 N ATOM 334 CA TYR A 21 -5.477 -14.601 -4.401 1.00 0.00 C ATOM 335 C TYR A 21 -4.084 -15.127 -4.049 1.00 0.00 C ATOM 336 O TYR A 21 -3.920 -16.306 -3.740 1.00 0.00 O ATOM 337 CB TYR A 21 -5.456 -14.055 -5.830 1.00 0.00 C ATOM 338 CG TYR A 21 -6.642 -14.506 -6.685 1.00 0.00 C ATOM 339 CD1 TYR A 21 -6.799 -15.841 -6.999 1.00 0.00 C ATOM 340 CD2 TYR A 21 -7.555 -13.578 -7.143 1.00 0.00 C ATOM 341 CE1 TYR A 21 -7.915 -16.265 -7.804 1.00 0.00 C ATOM 342 CE2 TYR A 21 -8.671 -14.002 -7.948 1.00 0.00 C ATOM 343 CZ TYR A 21 -8.796 -15.324 -8.239 1.00 0.00 C ATOM 344 OH TYR A 21 -9.851 -15.725 -8.999 1.00 0.00 O ATOM 0 H TYR A 21 -6.393 -12.757 -4.011 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.182 -15.423 -4.277 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.442 -12.966 -5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.531 -14.369 -6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.085 -16.568 -6.641 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.432 -12.533 -6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.050 -17.306 -8.057 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.393 -13.286 -8.312 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.397 -14.947 -9.237 1.00 0.00 H new ATOM 354 N GLY A 22 -3.114 -14.224 -4.105 1.00 0.00 N ATOM 355 CA GLY A 22 -1.740 -14.582 -3.796 1.00 0.00 C ATOM 356 C GLY A 22 -1.252 -13.849 -2.544 1.00 0.00 C ATOM 357 O GLY A 22 -0.936 -14.479 -1.536 1.00 0.00 O ATOM 0 H GLY A 22 -3.253 -13.246 -4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.666 -15.659 -3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.097 -14.335 -4.641 1.00 0.00 H new ATOM 361 N VAL A 23 -1.204 -12.529 -2.651 1.00 0.00 N ATOM 362 CA VAL A 23 -0.759 -11.704 -1.541 1.00 0.00 C ATOM 363 C VAL A 23 -1.475 -12.148 -0.263 1.00 0.00 C ATOM 364 O VAL A 23 -2.702 -12.118 -0.193 1.00 0.00 O ATOM 365 CB VAL A 23 -0.980 -10.226 -1.867 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.268 -9.329 -0.852 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.528 -9.906 -3.294 1.00 0.00 C ATOM 0 H VAL A 23 -1.466 -12.011 -3.489 1.00 0.00 H new ATOM 0 HA VAL A 23 0.311 -11.830 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.049 -10.024 -1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.441 -8.283 -1.106 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.657 -9.529 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.802 -9.535 -0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.696 -8.849 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.533 -10.132 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.099 -10.509 -4.000 1.00 0.00 H new ATOM 377 N SER A 24 -0.676 -12.548 0.715 1.00 0.00 N ATOM 378 CA SER A 24 -1.218 -12.998 1.986 1.00 0.00 C ATOM 379 C SER A 24 -1.356 -11.812 2.944 1.00 0.00 C ATOM 380 O SER A 24 -0.586 -10.856 2.869 1.00 0.00 O ATOM 381 CB SER A 24 -0.336 -14.083 2.608 1.00 0.00 C ATOM 382 OG SER A 24 -1.088 -15.238 2.971 1.00 0.00 O ATOM 0 H SER A 24 0.342 -12.570 0.653 1.00 0.00 H new ATOM 0 HA SER A 24 -2.203 -13.428 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.444 -14.366 1.901 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.163 -13.683 3.491 1.00 0.00 H new ATOM 0 HG SER A 24 -0.490 -15.908 3.363 1.00 0.00 H new ATOM 388 N LEU A 25 -2.342 -11.915 3.823 1.00 0.00 N ATOM 389 CA LEU A 25 -2.590 -10.863 4.794 1.00 0.00 C ATOM 390 C LEU A 25 -1.277 -10.494 5.488 1.00 0.00 C ATOM 391 O LEU A 25 -0.979 -9.315 5.674 1.00 0.00 O ATOM 392 CB LEU A 25 -3.700 -11.279 5.763 1.00 0.00 C ATOM 393 CG LEU A 25 -3.605 -10.705 7.178 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.691 -9.178 7.157 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.662 -11.326 8.092 1.00 0.00 C ATOM 0 H LEU A 25 -2.978 -12.710 3.883 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.952 -9.964 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.658 -10.983 5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.705 -12.367 5.833 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.630 -10.966 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.621 -8.796 8.175 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.872 -8.776 6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.642 -8.873 6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.573 -10.901 9.092 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.655 -11.116 7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.512 -12.405 8.141 1.00 0.00 H new ATOM 407 N ALA A 26 -0.526 -11.524 5.849 1.00 0.00 N ATOM 408 CA ALA A 26 0.748 -11.322 6.517 1.00 0.00 C ATOM 409 C ALA A 26 1.679 -10.524 5.601 1.00 0.00 C ATOM 410 O ALA A 26 2.395 -9.637 6.060 1.00 0.00 O ATOM 411 CB ALA A 26 1.339 -12.678 6.910 1.00 0.00 C ATOM 0 H ALA A 26 -0.775 -12.500 5.692 1.00 0.00 H new ATOM 0 HA ALA A 26 0.614 -10.746 7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.295 -12.527 7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.653 -13.192 7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.490 -13.282 6.015 1.00 0.00 H new ATOM 417 N ASP A 27 1.638 -10.870 4.322 1.00 0.00 N ATOM 418 CA ASP A 27 2.468 -10.197 3.338 1.00 0.00 C ATOM 419 C ASP A 27 2.035 -8.734 3.227 1.00 0.00 C ATOM 420 O ASP A 27 2.872 -7.843 3.091 1.00 0.00 O ATOM 421 CB ASP A 27 2.318 -10.841 1.960 1.00 0.00 C ATOM 422 CG ASP A 27 2.722 -12.315 1.886 1.00 0.00 C ATOM 423 OD1 ASP A 27 3.386 -12.769 2.842 1.00 0.00 O ATOM 424 OD2 ASP A 27 2.356 -12.954 0.875 1.00 0.00 O ATOM 0 H ASP A 27 1.043 -11.608 3.945 1.00 0.00 H new ATOM 0 HA ASP A 27 3.506 -10.275 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.279 -10.749 1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.920 -10.279 1.246 1.00 0.00 H new ATOM 429 N TRP A 28 0.727 -8.531 3.289 1.00 0.00 N ATOM 430 CA TRP A 28 0.173 -7.191 3.197 1.00 0.00 C ATOM 431 C TRP A 28 0.691 -6.382 4.388 1.00 0.00 C ATOM 432 O TRP A 28 1.345 -5.356 4.208 1.00 0.00 O ATOM 433 CB TRP A 28 -1.355 -7.234 3.121 1.00 0.00 C ATOM 434 CG TRP A 28 -1.901 -7.554 1.728 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.728 -8.546 1.374 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.621 -6.833 0.509 1.00 0.00 C ATOM 437 NE1 TRP A 28 -3.002 -8.519 0.022 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.308 -7.444 -0.522 1.00 0.00 C ATOM 439 CE3 TRP A 28 -0.816 -5.703 0.284 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.258 -6.996 -1.846 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -0.777 -5.268 -1.046 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.462 -5.872 -2.095 1.00 0.00 C ATOM 0 H TRP A 28 0.035 -9.272 3.402 1.00 0.00 H new ATOM 0 HA TRP A 28 0.496 -6.702 2.278 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.722 -7.981 3.824 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.752 -6.271 3.443 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.130 -9.276 2.061 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.603 -9.168 -0.485 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.271 -5.209 1.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.805 -7.491 -2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.172 -4.402 -1.274 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.380 -5.476 -3.096 1.00 0.00 H new ATOM 453 N VAL A 29 0.377 -6.874 5.577 1.00 0.00 N ATOM 454 CA VAL A 29 0.802 -6.210 6.798 1.00 0.00 C ATOM 455 C VAL A 29 2.309 -5.956 6.737 1.00 0.00 C ATOM 456 O VAL A 29 2.750 -4.808 6.756 1.00 0.00 O ATOM 457 CB VAL A 29 0.384 -7.035 8.015 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.065 -6.522 9.286 1.00 0.00 C ATOM 459 CG2 VAL A 29 -1.138 -7.044 8.175 1.00 0.00 C ATOM 0 H VAL A 29 -0.167 -7.725 5.721 1.00 0.00 H new ATOM 0 HA VAL A 29 0.313 -5.241 6.896 1.00 0.00 H new ATOM 0 HB VAL A 29 0.710 -8.062 7.851 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.750 -7.126 10.137 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.147 -6.591 9.172 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.784 -5.483 9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.409 -7.638 9.048 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.496 -6.023 8.306 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.595 -7.478 7.285 1.00 0.00 H new ATOM 469 N CYS A 30 3.059 -7.047 6.663 1.00 0.00 N ATOM 470 CA CYS A 30 4.507 -6.957 6.600 1.00 0.00 C ATOM 471 C CYS A 30 4.877 -5.865 5.594 1.00 0.00 C ATOM 472 O CYS A 30 5.706 -5.004 5.883 1.00 0.00 O ATOM 473 CB CYS A 30 5.142 -8.302 6.241 1.00 0.00 C ATOM 474 SG CYS A 30 5.453 -8.552 4.454 1.00 0.00 S ATOM 0 H CYS A 30 2.690 -7.998 6.645 1.00 0.00 H new ATOM 0 HA CYS A 30 4.901 -6.694 7.582 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.087 -8.396 6.776 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.492 -9.101 6.598 1.00 0.00 H new ATOM 479 N LEU A 31 4.243 -5.936 4.432 1.00 0.00 N ATOM 480 CA LEU A 31 4.495 -4.964 3.381 1.00 0.00 C ATOM 481 C LEU A 31 4.249 -3.555 3.925 1.00 0.00 C ATOM 482 O LEU A 31 5.111 -2.685 3.816 1.00 0.00 O ATOM 483 CB LEU A 31 3.670 -5.295 2.137 1.00 0.00 C ATOM 484 CG LEU A 31 3.602 -4.203 1.067 1.00 0.00 C ATOM 485 CD1 LEU A 31 4.962 -4.011 0.393 1.00 0.00 C ATOM 486 CD2 LEU A 31 2.495 -4.498 0.052 1.00 0.00 C ATOM 0 H LEU A 31 3.556 -6.651 4.195 1.00 0.00 H new ATOM 0 HA LEU A 31 5.537 -5.006 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.081 -6.196 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.654 -5.531 2.452 1.00 0.00 H new ATOM 0 HG LEU A 31 3.349 -3.262 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.886 -3.230 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.701 -3.722 1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.269 -4.944 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.468 -3.707 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.693 -5.453 -0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.534 -4.545 0.565 1.00 0.00 H new ATOM 498 N ALA A 32 3.069 -3.376 4.500 1.00 0.00 N ATOM 499 CA ALA A 32 2.698 -2.088 5.062 1.00 0.00 C ATOM 500 C ALA A 32 3.623 -1.764 6.236 1.00 0.00 C ATOM 501 O ALA A 32 3.757 -0.604 6.624 1.00 0.00 O ATOM 502 CB ALA A 32 1.224 -2.115 5.471 1.00 0.00 C ATOM 0 H ALA A 32 2.357 -4.101 4.589 1.00 0.00 H new ATOM 0 HA ALA A 32 2.816 -1.297 4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.946 -1.149 5.893 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.607 -2.320 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.067 -2.895 6.216 1.00 0.00 H new ATOM 508 N GLN A 33 4.240 -2.808 6.769 1.00 0.00 N ATOM 509 CA GLN A 33 5.150 -2.649 7.891 1.00 0.00 C ATOM 510 C GLN A 33 6.465 -2.024 7.423 1.00 0.00 C ATOM 511 O GLN A 33 6.884 -0.989 7.940 1.00 0.00 O ATOM 512 CB GLN A 33 5.397 -3.986 8.591 1.00 0.00 C ATOM 513 CG GLN A 33 5.908 -3.773 10.016 1.00 0.00 C ATOM 514 CD GLN A 33 7.238 -4.496 10.236 1.00 0.00 C ATOM 515 OE1 GLN A 33 7.289 -5.661 10.597 1.00 0.00 O ATOM 516 NE2 GLN A 33 8.309 -3.744 10.000 1.00 0.00 N ATOM 0 H GLN A 33 4.128 -3.768 6.444 1.00 0.00 H new ATOM 0 HA GLN A 33 4.689 -1.978 8.615 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.473 -4.564 8.615 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.123 -4.569 8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.034 -2.707 10.205 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.169 -4.138 10.729 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.196 -2.776 9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.243 -4.136 10.119 1.00 0.00 H new ATOM 525 N HIS A 34 7.081 -2.678 6.449 1.00 0.00 N ATOM 526 CA HIS A 34 8.340 -2.199 5.905 1.00 0.00 C ATOM 527 C HIS A 34 8.097 -0.929 5.088 1.00 0.00 C ATOM 528 O HIS A 34 9.010 -0.130 4.887 1.00 0.00 O ATOM 529 CB HIS A 34 9.039 -3.298 5.101 1.00 0.00 C ATOM 530 CG HIS A 34 10.531 -3.112 4.976 1.00 0.00 C ATOM 531 ND1 HIS A 34 11.133 -1.866 4.951 1.00 0.00 N ATOM 532 CD2 HIS A 34 11.537 -4.027 4.869 1.00 0.00 C ATOM 533 CE1 HIS A 34 12.442 -2.036 4.834 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.690 -3.377 4.783 1.00 0.00 N ATOM 0 H HIS A 34 6.731 -3.536 6.023 1.00 0.00 H new ATOM 0 HA HIS A 34 9.017 -1.940 6.720 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.841 -4.261 5.573 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.603 -3.337 4.103 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.651 -0.969 5.012 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.415 -5.100 4.856 1.00 0.00 H new ATOM 0 HE1 HIS A 34 13.182 -1.251 4.787 1.00 0.00 H new ATOM 543 N GLU A 35 6.860 -0.782 4.636 1.00 0.00 N ATOM 544 CA GLU A 35 6.485 0.376 3.843 1.00 0.00 C ATOM 545 C GLU A 35 6.342 1.608 4.740 1.00 0.00 C ATOM 546 O GLU A 35 7.075 2.582 4.583 1.00 0.00 O ATOM 547 CB GLU A 35 5.195 0.112 3.064 1.00 0.00 C ATOM 548 CG GLU A 35 5.478 -0.680 1.787 1.00 0.00 C ATOM 549 CD GLU A 35 6.473 0.060 0.891 1.00 0.00 C ATOM 550 OE1 GLU A 35 6.088 1.136 0.383 1.00 0.00 O ATOM 551 OE2 GLU A 35 7.596 -0.465 0.733 1.00 0.00 O ATOM 0 H GLU A 35 6.104 -1.446 4.804 1.00 0.00 H new ATOM 0 HA GLU A 35 7.275 0.568 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.494 -0.440 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.719 1.059 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.876 -1.662 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.548 -0.845 1.244 1.00 0.00 H new ATOM 558 N SER A 36 5.392 1.524 5.660 1.00 0.00 N ATOM 559 CA SER A 36 5.144 2.619 6.582 1.00 0.00 C ATOM 560 C SER A 36 4.325 2.124 7.776 1.00 0.00 C ATOM 561 O SER A 36 4.829 2.063 8.895 1.00 0.00 O ATOM 562 CB SER A 36 4.419 3.773 5.883 1.00 0.00 C ATOM 563 OG SER A 36 5.097 5.013 6.059 1.00 0.00 O ATOM 0 H SER A 36 4.785 0.714 5.786 1.00 0.00 H new ATOM 0 HA SER A 36 6.105 2.990 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.332 3.555 4.819 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.405 3.855 6.275 1.00 0.00 H new ATOM 0 HG SER A 36 4.504 5.648 6.513 1.00 0.00 H new ATOM 569 N ASN A 37 3.076 1.782 7.495 1.00 0.00 N ATOM 570 CA ASN A 37 2.183 1.293 8.532 1.00 0.00 C ATOM 571 C ASN A 37 1.730 2.467 9.404 1.00 0.00 C ATOM 572 O ASN A 37 2.245 3.577 9.273 1.00 0.00 O ATOM 573 CB ASN A 37 2.889 0.280 9.435 1.00 0.00 C ATOM 574 CG ASN A 37 1.878 -0.519 10.259 1.00 0.00 C ATOM 575 OD1 ASN A 37 0.767 -0.791 9.832 1.00 0.00 O ATOM 576 ND2 ASN A 37 2.321 -0.877 11.461 1.00 0.00 N ATOM 0 H ASN A 37 2.661 1.834 6.564 1.00 0.00 H new ATOM 0 HA ASN A 37 1.334 0.813 8.046 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.486 -0.400 8.827 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.577 0.800 10.102 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.720 -1.412 12.088 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.262 -0.617 11.756 1.00 0.00 H new ATOM 583 N TYR A 38 0.771 2.182 10.271 1.00 0.00 N ATOM 584 CA TYR A 38 0.243 3.200 11.164 1.00 0.00 C ATOM 585 C TYR A 38 -0.339 4.374 10.373 1.00 0.00 C ATOM 586 O TYR A 38 -1.364 4.231 9.708 1.00 0.00 O ATOM 587 CB TYR A 38 1.432 3.696 11.989 1.00 0.00 C ATOM 588 CG TYR A 38 2.049 2.629 12.895 1.00 0.00 C ATOM 589 CD1 TYR A 38 1.317 2.104 13.941 1.00 0.00 C ATOM 590 CD2 TYR A 38 3.338 2.191 12.666 1.00 0.00 C ATOM 591 CE1 TYR A 38 1.898 1.100 14.794 1.00 0.00 C ATOM 592 CE2 TYR A 38 3.919 1.186 13.518 1.00 0.00 C ATOM 593 CZ TYR A 38 3.171 0.691 14.541 1.00 0.00 C ATOM 594 OH TYR A 38 3.719 -0.258 15.346 1.00 0.00 O ATOM 0 H TYR A 38 0.345 1.261 10.375 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.554 2.790 11.785 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.199 4.071 11.312 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.110 4.537 12.603 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.308 2.446 14.120 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.911 2.602 11.848 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.336 0.681 15.616 1.00 0.00 H new ATOM 0 HE2 TYR A 38 4.926 0.833 13.349 1.00 0.00 H new ATOM 0 HH TYR A 38 4.632 -0.453 15.047 1.00 0.00 H new ATOM 604 N ASN A 39 0.339 5.507 10.472 1.00 0.00 N ATOM 605 CA ASN A 39 -0.098 6.705 9.776 1.00 0.00 C ATOM 606 C ASN A 39 0.495 6.713 8.364 1.00 0.00 C ATOM 607 O ASN A 39 1.682 6.445 8.184 1.00 0.00 O ATOM 608 CB ASN A 39 0.380 7.967 10.496 1.00 0.00 C ATOM 609 CG ASN A 39 0.328 7.785 12.015 1.00 0.00 C ATOM 610 OD1 ASN A 39 -0.147 6.786 12.529 1.00 0.00 O ATOM 611 ND2 ASN A 39 0.841 8.802 12.699 1.00 0.00 N ATOM 0 H ASN A 39 1.189 5.621 11.024 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.188 6.699 9.746 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.399 8.201 10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.243 8.813 10.206 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.853 8.776 13.719 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.223 9.608 12.204 1.00 0.00 H new ATOM 618 N THR A 40 -0.359 7.023 7.400 1.00 0.00 N ATOM 619 CA THR A 40 0.065 7.069 6.012 1.00 0.00 C ATOM 620 C THR A 40 0.680 8.432 5.687 1.00 0.00 C ATOM 621 O THR A 40 0.301 9.071 4.706 1.00 0.00 O ATOM 622 CB THR A 40 -1.142 6.723 5.137 1.00 0.00 C ATOM 623 OG1 THR A 40 -1.994 7.858 5.256 1.00 0.00 O ATOM 624 CG2 THR A 40 -1.971 5.573 5.711 1.00 0.00 C ATOM 0 H THR A 40 -1.343 7.245 7.553 1.00 0.00 H new ATOM 0 HA THR A 40 0.849 6.338 5.814 1.00 0.00 H new ATOM 0 HB THR A 40 -0.800 6.460 4.136 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.605 8.612 4.765 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.815 5.368 5.052 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.349 4.681 5.792 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.341 5.849 6.699 1.00 0.00 H new ATOM 632 N ARG A 41 1.619 8.837 6.529 1.00 0.00 N ATOM 633 CA ARG A 41 2.291 10.113 6.344 1.00 0.00 C ATOM 634 C ARG A 41 3.361 9.997 5.257 1.00 0.00 C ATOM 635 O ARG A 41 3.828 11.006 4.731 1.00 0.00 O ATOM 636 CB ARG A 41 2.943 10.585 7.645 1.00 0.00 C ATOM 637 CG ARG A 41 3.678 11.911 7.440 1.00 0.00 C ATOM 638 CD ARG A 41 4.037 12.552 8.782 1.00 0.00 C ATOM 639 NE ARG A 41 4.642 13.885 8.560 1.00 0.00 N ATOM 640 CZ ARG A 41 5.916 14.079 8.188 1.00 0.00 C ATOM 641 NH1 ARG A 41 6.724 13.028 7.996 1.00 0.00 N ATOM 642 NH2 ARG A 41 6.379 15.323 8.011 1.00 0.00 N ATOM 0 H ARG A 41 1.931 8.305 7.341 1.00 0.00 H new ATOM 0 HA ARG A 41 1.540 10.843 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.181 10.703 8.416 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.642 9.829 8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.585 11.742 6.859 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.052 12.592 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.144 12.647 9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.734 11.913 9.325 1.00 0.00 H new ATOM 0 HE ARG A 41 4.054 14.707 8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.370 12.081 8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.693 13.175 7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.763 16.122 8.159 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.348 15.471 7.728 1.00 0.00 H new ATOM 656 N ALA A 42 3.718 8.758 4.953 1.00 0.00 N ATOM 657 CA ALA A 42 4.725 8.497 3.938 1.00 0.00 C ATOM 658 C ALA A 42 4.411 9.325 2.691 1.00 0.00 C ATOM 659 O ALA A 42 3.511 8.986 1.924 1.00 0.00 O ATOM 660 CB ALA A 42 4.775 6.996 3.643 1.00 0.00 C ATOM 0 H ALA A 42 3.328 7.924 5.392 1.00 0.00 H new ATOM 0 HA ALA A 42 5.713 8.793 4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.530 6.800 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.029 6.454 4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.802 6.663 3.283 1.00 0.00 H new ATOM 666 N THR A 43 5.172 10.398 2.526 1.00 0.00 N ATOM 667 CA THR A 43 4.987 11.278 1.385 1.00 0.00 C ATOM 668 C THR A 43 6.336 11.816 0.901 1.00 0.00 C ATOM 669 O THR A 43 7.202 12.145 1.711 1.00 0.00 O ATOM 670 CB THR A 43 4.004 12.378 1.791 1.00 0.00 C ATOM 671 OG1 THR A 43 4.373 12.696 3.129 1.00 0.00 O ATOM 672 CG2 THR A 43 2.569 11.866 1.912 1.00 0.00 C ATOM 0 H THR A 43 5.918 10.677 3.164 1.00 0.00 H new ATOM 0 HA THR A 43 4.564 10.741 0.536 1.00 0.00 H new ATOM 0 HB THR A 43 4.040 13.185 1.059 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.770 12.239 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.913 12.687 2.202 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.244 11.464 0.952 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.525 11.082 2.668 1.00 0.00 H new ATOM 680 N ASN A 44 6.471 11.886 -0.414 1.00 0.00 N ATOM 681 CA ASN A 44 7.699 12.378 -1.015 1.00 0.00 C ATOM 682 C ASN A 44 7.381 13.018 -2.368 1.00 0.00 C ATOM 683 O ASN A 44 7.292 12.325 -3.380 1.00 0.00 O ATOM 684 CB ASN A 44 8.691 11.237 -1.253 1.00 0.00 C ATOM 685 CG ASN A 44 10.028 11.519 -0.562 1.00 0.00 C ATOM 686 OD1 ASN A 44 10.184 11.346 0.635 1.00 0.00 O ATOM 687 ND2 ASN A 44 10.977 11.960 -1.382 1.00 0.00 N ATOM 0 H ASN A 44 5.750 11.610 -1.081 1.00 0.00 H new ATOM 0 HA ASN A 44 8.140 13.104 -0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.273 10.303 -0.877 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.851 11.107 -2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.905 12.176 -1.018 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.777 12.082 -2.375 1.00 0.00 H new ATOM 694 N TYR A 45 7.217 14.332 -2.340 1.00 0.00 N ATOM 695 CA TYR A 45 6.910 15.074 -3.551 1.00 0.00 C ATOM 696 C TYR A 45 8.190 15.548 -4.243 1.00 0.00 C ATOM 697 O TYR A 45 9.198 15.800 -3.586 1.00 0.00 O ATOM 698 CB TYR A 45 6.103 16.294 -3.106 1.00 0.00 C ATOM 699 CG TYR A 45 6.941 17.381 -2.428 1.00 0.00 C ATOM 700 CD1 TYR A 45 7.637 18.295 -3.194 1.00 0.00 C ATOM 701 CD2 TYR A 45 7.001 17.448 -1.052 1.00 0.00 C ATOM 702 CE1 TYR A 45 8.426 19.316 -2.557 1.00 0.00 C ATOM 703 CE2 TYR A 45 7.790 18.470 -0.414 1.00 0.00 C ATOM 704 CZ TYR A 45 8.463 19.354 -1.198 1.00 0.00 C ATOM 705 OH TYR A 45 9.208 20.320 -0.596 1.00 0.00 O ATOM 0 H TYR A 45 7.291 14.902 -1.498 1.00 0.00 H new ATOM 0 HA TYR A 45 6.364 14.447 -4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.604 16.723 -3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.322 15.969 -2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 45 7.589 18.244 -4.272 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.456 16.734 -0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.976 20.036 -3.145 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.846 18.533 0.663 1.00 0.00 H new ATOM 0 HH TYR A 45 9.140 20.226 0.377 1.00 0.00 H new ATOM 715 N ASN A 46 8.107 15.655 -5.561 1.00 0.00 N ATOM 716 CA ASN A 46 9.246 16.094 -6.350 1.00 0.00 C ATOM 717 C ASN A 46 8.756 16.590 -7.712 1.00 0.00 C ATOM 718 O ASN A 46 8.427 15.790 -8.587 1.00 0.00 O ATOM 719 CB ASN A 46 10.227 14.945 -6.589 1.00 0.00 C ATOM 720 CG ASN A 46 10.873 14.494 -5.277 1.00 0.00 C ATOM 721 OD1 ASN A 46 10.360 13.650 -4.561 1.00 0.00 O ATOM 722 ND2 ASN A 46 12.024 15.102 -5.005 1.00 0.00 N ATOM 0 H ASN A 46 7.269 15.445 -6.103 1.00 0.00 H new ATOM 0 HA ASN A 46 9.750 16.889 -5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.705 14.106 -7.049 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.000 15.262 -7.289 1.00 0.00 H new ATOM 0 HD21 ASN A 46 12.534 14.870 -4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.397 15.800 -5.649 1.00 0.00 H new ATOM 729 N ARG A 47 8.725 17.908 -7.851 1.00 0.00 N ATOM 730 CA ARG A 47 8.281 18.519 -9.091 1.00 0.00 C ATOM 731 C ARG A 47 9.412 18.508 -10.122 1.00 0.00 C ATOM 732 O ARG A 47 9.159 18.446 -11.325 1.00 0.00 O ATOM 733 CB ARG A 47 7.824 19.962 -8.863 1.00 0.00 C ATOM 734 CG ARG A 47 6.642 20.313 -9.768 1.00 0.00 C ATOM 735 CD ARG A 47 5.565 21.073 -8.992 1.00 0.00 C ATOM 736 NE ARG A 47 5.679 22.524 -9.258 1.00 0.00 N ATOM 737 CZ ARG A 47 5.130 23.475 -8.490 1.00 0.00 C ATOM 738 NH1 ARG A 47 4.424 23.134 -7.404 1.00 0.00 N ATOM 739 NH2 ARG A 47 5.285 24.767 -8.810 1.00 0.00 N ATOM 0 H ARG A 47 9.000 18.569 -7.125 1.00 0.00 H new ATOM 0 HA ARG A 47 7.438 17.937 -9.463 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.540 20.096 -7.819 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.651 20.644 -9.059 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.988 20.919 -10.605 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.218 19.401 -10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.576 20.718 -9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 47 5.671 20.881 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 47 6.209 22.819 -10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.304 22.150 -7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.006 23.858 -6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.821 25.027 -9.638 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.867 25.491 -8.225 1.00 0.00 H new ATOM 753 N GLY A 48 10.634 18.568 -9.614 1.00 0.00 N ATOM 754 CA GLY A 48 11.804 18.565 -10.476 1.00 0.00 C ATOM 755 C GLY A 48 11.575 17.687 -11.708 1.00 0.00 C ATOM 756 O GLY A 48 12.060 17.999 -12.795 1.00 0.00 O ATOM 0 H GLY A 48 10.840 18.619 -8.616 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.032 19.584 -10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.668 18.201 -9.921 1.00 0.00 H new ATOM 760 N ASP A 49 10.836 16.608 -11.498 1.00 0.00 N ATOM 761 CA ASP A 49 10.536 15.684 -12.578 1.00 0.00 C ATOM 762 C ASP A 49 9.062 15.284 -12.508 1.00 0.00 C ATOM 763 O ASP A 49 8.700 14.165 -12.868 1.00 0.00 O ATOM 764 CB ASP A 49 11.377 14.410 -12.461 1.00 0.00 C ATOM 765 CG ASP A 49 11.567 13.638 -13.769 1.00 0.00 C ATOM 766 OD1 ASP A 49 10.643 12.871 -14.114 1.00 0.00 O ATOM 767 OD2 ASP A 49 12.632 13.834 -14.393 1.00 0.00 O ATOM 0 H ASP A 49 10.436 16.353 -10.595 1.00 0.00 H new ATOM 0 HA ASP A 49 10.763 16.182 -13.521 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.358 14.675 -12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.909 13.749 -11.731 1.00 0.00 H new ATOM 772 N GLN A 50 8.250 16.222 -12.042 1.00 0.00 N ATOM 773 CA GLN A 50 6.821 15.983 -11.920 1.00 0.00 C ATOM 774 C GLN A 50 6.558 14.521 -11.552 1.00 0.00 C ATOM 775 O GLN A 50 5.895 13.800 -12.296 1.00 0.00 O ATOM 776 CB GLN A 50 6.090 16.364 -13.209 1.00 0.00 C ATOM 777 CG GLN A 50 4.606 16.624 -12.941 1.00 0.00 C ATOM 778 CD GLN A 50 4.408 17.934 -12.179 1.00 0.00 C ATOM 779 OE1 GLN A 50 4.124 17.955 -10.992 1.00 0.00 O ATOM 780 NE2 GLN A 50 4.573 19.024 -12.924 1.00 0.00 N ATOM 0 H GLN A 50 8.554 17.149 -11.744 1.00 0.00 H new ATOM 0 HA GLN A 50 6.433 16.614 -11.121 1.00 0.00 H new ATOM 0 HB2 GLN A 50 6.547 17.255 -13.641 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.196 15.564 -13.942 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.064 16.663 -13.886 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.186 15.798 -12.367 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.810 18.935 -13.912 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.462 19.948 -12.507 1.00 0.00 H new ATOM 789 N SER A 51 7.090 14.128 -10.404 1.00 0.00 N ATOM 790 CA SER A 51 6.921 12.767 -9.928 1.00 0.00 C ATOM 791 C SER A 51 6.929 12.742 -8.398 1.00 0.00 C ATOM 792 O SER A 51 7.946 13.045 -7.775 1.00 0.00 O ATOM 793 CB SER A 51 8.014 11.850 -10.480 1.00 0.00 C ATOM 794 OG SER A 51 7.941 11.726 -11.898 1.00 0.00 O ATOM 0 H SER A 51 7.639 14.729 -9.790 1.00 0.00 H new ATOM 0 HA SER A 51 5.960 12.397 -10.286 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.992 12.242 -10.200 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.924 10.864 -10.025 1.00 0.00 H new ATOM 0 HG SER A 51 8.277 12.546 -12.316 1.00 0.00 H new ATOM 800 N THR A 52 5.786 12.378 -7.837 1.00 0.00 N ATOM 801 CA THR A 52 5.650 12.310 -6.392 1.00 0.00 C ATOM 802 C THR A 52 5.510 10.856 -5.937 1.00 0.00 C ATOM 803 O THR A 52 5.263 9.968 -6.752 1.00 0.00 O ATOM 804 CB THR A 52 4.466 13.191 -5.986 1.00 0.00 C ATOM 805 OG1 THR A 52 4.990 14.514 -6.020 1.00 0.00 O ATOM 806 CG2 THR A 52 4.059 12.988 -4.525 1.00 0.00 C ATOM 0 H THR A 52 4.945 12.127 -8.357 1.00 0.00 H new ATOM 0 HA THR A 52 6.542 12.689 -5.893 1.00 0.00 H new ATOM 0 HB THR A 52 3.615 12.976 -6.633 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.288 15.151 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.215 13.636 -4.289 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.773 11.948 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.899 13.235 -3.876 1.00 0.00 H new ATOM 814 N ASP A 53 5.674 10.657 -4.637 1.00 0.00 N ATOM 815 CA ASP A 53 5.569 9.326 -4.065 1.00 0.00 C ATOM 816 C ASP A 53 5.066 9.434 -2.623 1.00 0.00 C ATOM 817 O ASP A 53 5.767 9.951 -1.755 1.00 0.00 O ATOM 818 CB ASP A 53 6.930 8.628 -4.040 1.00 0.00 C ATOM 819 CG ASP A 53 7.530 8.330 -5.415 1.00 0.00 C ATOM 820 OD1 ASP A 53 7.645 9.292 -6.205 1.00 0.00 O ATOM 821 OD2 ASP A 53 7.859 7.146 -5.647 1.00 0.00 O ATOM 0 H ASP A 53 5.879 11.396 -3.964 1.00 0.00 H new ATOM 0 HA ASP A 53 4.879 8.748 -4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.630 9.250 -3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.830 7.690 -3.493 1.00 0.00 H new ATOM 826 N TYR A 54 3.857 8.937 -2.414 1.00 0.00 N ATOM 827 CA TYR A 54 3.252 8.972 -1.094 1.00 0.00 C ATOM 828 C TYR A 54 2.284 7.801 -0.902 1.00 0.00 C ATOM 829 O TYR A 54 1.982 7.079 -1.852 1.00 0.00 O ATOM 830 CB TYR A 54 2.466 10.282 -1.022 1.00 0.00 C ATOM 831 CG TYR A 54 1.869 10.723 -2.360 1.00 0.00 C ATOM 832 CD1 TYR A 54 1.294 9.790 -3.199 1.00 0.00 C ATOM 833 CD2 TYR A 54 1.905 12.052 -2.728 1.00 0.00 C ATOM 834 CE1 TYR A 54 0.731 10.205 -4.458 1.00 0.00 C ATOM 835 CE2 TYR A 54 1.343 12.468 -3.987 1.00 0.00 C ATOM 836 CZ TYR A 54 0.783 11.523 -4.790 1.00 0.00 C ATOM 837 OH TYR A 54 0.252 11.914 -5.979 1.00 0.00 O ATOM 0 H TYR A 54 3.279 8.508 -3.137 1.00 0.00 H new ATOM 0 HA TYR A 54 4.018 8.901 -0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.661 10.172 -0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.124 11.069 -0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.266 8.749 -2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.355 12.781 -2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.278 9.486 -5.124 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.365 13.505 -4.287 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.278 11.182 -6.357 1.00 0.00 H new ATOM 847 N GLY A 55 1.827 7.648 0.332 1.00 0.00 N ATOM 848 CA GLY A 55 0.901 6.578 0.659 1.00 0.00 C ATOM 849 C GLY A 55 1.539 5.577 1.625 1.00 0.00 C ATOM 850 O GLY A 55 2.762 5.486 1.710 1.00 0.00 O ATOM 0 H GLY A 55 2.081 8.247 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.001 6.996 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.596 6.065 -0.253 1.00 0.00 H new ATOM 854 N ILE A 56 0.680 4.852 2.326 1.00 0.00 N ATOM 855 CA ILE A 56 1.145 3.860 3.283 1.00 0.00 C ATOM 856 C ILE A 56 2.098 2.890 2.582 1.00 0.00 C ATOM 857 O ILE A 56 3.119 2.502 3.147 1.00 0.00 O ATOM 858 CB ILE A 56 -0.041 3.175 3.963 1.00 0.00 C ATOM 859 CG1 ILE A 56 0.293 2.806 5.409 1.00 0.00 C ATOM 860 CG2 ILE A 56 -0.509 1.962 3.156 1.00 0.00 C ATOM 861 CD1 ILE A 56 -0.947 2.300 6.147 1.00 0.00 C ATOM 0 H ILE A 56 -0.334 4.931 2.251 1.00 0.00 H new ATOM 0 HA ILE A 56 1.709 4.338 4.084 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.871 3.881 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.067 2.038 5.423 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.698 3.676 5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.353 1.493 3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.815 2.283 2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.307 1.245 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.681 2.045 7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.710 3.079 6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.335 1.415 5.642 1.00 0.00 H new ATOM 873 N PHE A 57 1.729 2.526 1.362 1.00 0.00 N ATOM 874 CA PHE A 57 2.539 1.608 0.579 1.00 0.00 C ATOM 875 C PHE A 57 3.529 2.368 -0.305 1.00 0.00 C ATOM 876 O PHE A 57 4.150 1.784 -1.193 1.00 0.00 O ATOM 877 CB PHE A 57 1.580 0.817 -0.313 1.00 0.00 C ATOM 878 CG PHE A 57 0.796 -0.270 0.427 1.00 0.00 C ATOM 879 CD1 PHE A 57 1.441 -1.369 0.902 1.00 0.00 C ATOM 880 CD2 PHE A 57 -0.545 -0.137 0.607 1.00 0.00 C ATOM 881 CE1 PHE A 57 0.714 -2.378 1.587 1.00 0.00 C ATOM 882 CE2 PHE A 57 -1.273 -1.146 1.292 1.00 0.00 C ATOM 883 CZ PHE A 57 -0.627 -2.244 1.769 1.00 0.00 C ATOM 0 H PHE A 57 0.881 2.850 0.897 1.00 0.00 H new ATOM 0 HA PHE A 57 3.110 0.957 1.241 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.875 1.509 -0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.148 0.355 -1.120 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.506 -1.474 0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.057 0.736 0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.226 -3.251 1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.339 -1.042 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.180 -3.010 2.293 1.00 0.00 H new ATOM 893 N GLN A 58 3.647 3.659 -0.033 1.00 0.00 N ATOM 894 CA GLN A 58 4.551 4.506 -0.792 1.00 0.00 C ATOM 895 C GLN A 58 4.328 4.308 -2.294 1.00 0.00 C ATOM 896 O GLN A 58 5.084 3.592 -2.948 1.00 0.00 O ATOM 897 CB GLN A 58 6.008 4.230 -0.414 1.00 0.00 C ATOM 898 CG GLN A 58 6.929 5.331 -0.941 1.00 0.00 C ATOM 899 CD GLN A 58 7.713 5.983 0.200 1.00 0.00 C ATOM 900 OE1 GLN A 58 8.156 5.333 1.134 1.00 0.00 O ATOM 901 NE2 GLN A 58 7.858 7.299 0.075 1.00 0.00 N ATOM 0 H GLN A 58 3.131 4.140 0.704 1.00 0.00 H new ATOM 0 HA GLN A 58 4.336 5.546 -0.546 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.100 4.162 0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.317 3.267 -0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.622 4.912 -1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.339 6.086 -1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.462 7.781 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.365 7.826 0.786 1.00 0.00 H new ATOM 910 N ILE A 59 3.286 4.956 -2.794 1.00 0.00 N ATOM 911 CA ILE A 59 2.954 4.861 -4.206 1.00 0.00 C ATOM 912 C ILE A 59 3.482 6.098 -4.934 1.00 0.00 C ATOM 913 O ILE A 59 3.490 7.195 -4.377 1.00 0.00 O ATOM 914 CB ILE A 59 1.451 4.635 -4.388 1.00 0.00 C ATOM 915 CG1 ILE A 59 1.051 3.227 -3.942 1.00 0.00 C ATOM 916 CG2 ILE A 59 1.025 4.923 -5.829 1.00 0.00 C ATOM 917 CD1 ILE A 59 -0.471 3.077 -3.900 1.00 0.00 C ATOM 0 H ILE A 59 2.661 5.548 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 59 3.441 3.995 -4.655 1.00 0.00 H new ATOM 0 HB ILE A 59 0.919 5.339 -3.748 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.474 2.491 -4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.468 3.022 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.047 4.755 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.255 5.959 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.563 4.260 -6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.728 2.067 -3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.888 3.798 -3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.882 3.259 -4.893 1.00 0.00 H new ATOM 929 N ASN A 60 3.911 5.880 -6.168 1.00 0.00 N ATOM 930 CA ASN A 60 4.440 6.964 -6.979 1.00 0.00 C ATOM 931 C ASN A 60 3.296 7.622 -7.753 1.00 0.00 C ATOM 932 O ASN A 60 2.412 6.935 -8.264 1.00 0.00 O ATOM 933 CB ASN A 60 5.461 6.445 -7.994 1.00 0.00 C ATOM 934 CG ASN A 60 5.131 5.013 -8.420 1.00 0.00 C ATOM 935 OD1 ASN A 60 4.140 4.747 -9.080 1.00 0.00 O ATOM 936 ND2 ASN A 60 6.014 4.109 -8.006 1.00 0.00 N ATOM 0 H ASN A 60 3.903 4.969 -6.626 1.00 0.00 H new ATOM 0 HA ASN A 60 4.925 7.678 -6.313 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.472 7.095 -8.869 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.460 6.478 -7.560 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.883 3.124 -8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.822 4.400 -7.456 1.00 0.00 H new ATOM 943 N SER A 61 3.349 8.944 -7.814 1.00 0.00 N ATOM 944 CA SER A 61 2.327 9.703 -8.517 1.00 0.00 C ATOM 945 C SER A 61 2.762 9.950 -9.964 1.00 0.00 C ATOM 946 O SER A 61 2.076 10.646 -10.711 1.00 0.00 O ATOM 947 CB SER A 61 2.046 11.031 -7.814 1.00 0.00 C ATOM 948 OG SER A 61 0.854 11.647 -8.293 1.00 0.00 O ATOM 0 H SER A 61 4.083 9.510 -7.388 1.00 0.00 H new ATOM 0 HA SER A 61 1.406 9.120 -8.515 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.961 10.862 -6.741 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.888 11.706 -7.964 1.00 0.00 H new ATOM 0 HG SER A 61 0.304 11.931 -7.533 1.00 0.00 H new ATOM 954 N ARG A 62 3.897 9.363 -10.315 1.00 0.00 N ATOM 955 CA ARG A 62 4.431 9.511 -11.659 1.00 0.00 C ATOM 956 C ARG A 62 3.871 8.421 -12.574 1.00 0.00 C ATOM 957 O ARG A 62 3.959 8.526 -13.796 1.00 0.00 O ATOM 958 CB ARG A 62 5.958 9.432 -11.656 1.00 0.00 C ATOM 959 CG ARG A 62 6.440 8.147 -10.980 1.00 0.00 C ATOM 960 CD ARG A 62 7.709 7.617 -11.650 1.00 0.00 C ATOM 961 NE ARG A 62 8.712 7.259 -10.622 1.00 0.00 N ATOM 962 CZ ARG A 62 9.868 6.634 -10.886 1.00 0.00 C ATOM 963 NH1 ARG A 62 10.173 6.295 -12.145 1.00 0.00 N ATOM 964 NH2 ARG A 62 10.717 6.349 -9.890 1.00 0.00 N ATOM 0 H ARG A 62 4.461 8.784 -9.693 1.00 0.00 H new ATOM 0 HA ARG A 62 4.131 10.491 -12.030 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.329 9.470 -12.680 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.369 10.297 -11.136 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.635 8.338 -9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.656 7.391 -11.028 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.472 6.744 -12.258 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.118 8.372 -12.322 1.00 0.00 H new ATOM 0 HE ARG A 62 8.511 7.503 -9.652 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.526 6.512 -12.903 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.053 5.819 -12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.484 6.608 -8.931 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.597 5.873 -10.090 1.00 0.00 H new ATOM 978 N TYR A 63 3.308 7.398 -11.949 1.00 0.00 N ATOM 979 CA TYR A 63 2.734 6.289 -12.691 1.00 0.00 C ATOM 980 C TYR A 63 1.289 6.029 -12.261 1.00 0.00 C ATOM 981 O TYR A 63 0.388 5.980 -13.097 1.00 0.00 O ATOM 982 CB TYR A 63 3.584 5.065 -12.345 1.00 0.00 C ATOM 983 CG TYR A 63 3.705 4.049 -13.483 1.00 0.00 C ATOM 984 CD1 TYR A 63 2.575 3.427 -13.975 1.00 0.00 C ATOM 985 CD2 TYR A 63 4.943 3.754 -14.016 1.00 0.00 C ATOM 986 CE1 TYR A 63 2.689 2.471 -15.046 1.00 0.00 C ATOM 987 CE2 TYR A 63 5.056 2.798 -15.088 1.00 0.00 C ATOM 988 CZ TYR A 63 3.924 2.203 -15.549 1.00 0.00 C ATOM 989 OH TYR A 63 4.031 1.300 -16.561 1.00 0.00 O ATOM 0 H TYR A 63 3.237 7.314 -10.935 1.00 0.00 H new ATOM 0 HA TYR A 63 2.727 6.506 -13.759 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.582 5.397 -12.061 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.153 4.570 -11.475 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.606 3.657 -13.557 1.00 0.00 H new ATOM 0 HD2 TYR A 63 5.827 4.240 -13.630 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.813 1.978 -15.441 1.00 0.00 H new ATOM 0 HE2 TYR A 63 6.019 2.559 -15.516 1.00 0.00 H new ATOM 0 HH TYR A 63 4.972 1.210 -16.821 1.00 0.00 H new ATOM 999 N TRP A 64 1.112 5.870 -10.958 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.207 5.617 -10.406 1.00 0.00 C ATOM 1001 C TRP A 64 -0.778 6.949 -9.916 1.00 0.00 C ATOM 1002 O TRP A 64 -0.028 7.869 -9.595 1.00 0.00 O ATOM 1003 CB TRP A 64 -0.149 4.551 -9.310 1.00 0.00 C ATOM 1004 CG TRP A 64 0.416 3.209 -9.776 1.00 0.00 C ATOM 1005 CD1 TRP A 64 1.570 2.629 -9.417 1.00 0.00 C ATOM 1006 CD2 TRP A 64 -0.199 2.295 -10.710 1.00 0.00 C ATOM 1007 NE1 TRP A 64 1.742 1.413 -10.046 1.00 0.00 N ATOM 1008 CE2 TRP A 64 0.633 1.204 -10.858 1.00 0.00 C ATOM 1009 CE3 TRP A 64 -1.416 2.387 -11.405 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 0.338 0.123 -11.696 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 -1.698 1.299 -12.239 1.00 0.00 C ATOM 1012 CH2 TRP A 64 -0.871 0.194 -12.400 1.00 0.00 C ATOM 0 H TRP A 64 1.862 5.912 -10.268 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.873 5.213 -11.169 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.461 4.924 -8.487 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.153 4.394 -8.917 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.276 3.059 -8.723 1.00 0.00 H new ATOM 0 HE1 TRP A 64 2.537 0.783 -9.936 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.082 3.231 -11.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 1.006 -0.720 -11.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -2.623 1.320 -12.796 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.159 -0.607 -13.065 1.00 0.00 H new ATOM 1023 N CYS A 65 -2.101 7.009 -9.873 1.00 0.00 N ATOM 1024 CA CYS A 65 -2.782 8.214 -9.428 1.00 0.00 C ATOM 1025 C CYS A 65 -2.385 9.362 -10.358 1.00 0.00 C ATOM 1026 O CYS A 65 -1.298 9.351 -10.935 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.469 8.531 -7.964 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.139 9.763 -7.712 1.00 0.00 S ATOM 0 H CYS A 65 -2.720 6.243 -10.139 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.861 8.065 -9.477 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.377 8.895 -7.484 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.189 7.607 -7.459 1.00 0.00 H new ATOM 1033 N ASN A 66 -3.286 10.325 -10.475 1.00 0.00 N ATOM 1034 CA ASN A 66 -3.044 11.479 -11.324 1.00 0.00 C ATOM 1035 C ASN A 66 -2.505 12.629 -10.473 1.00 0.00 C ATOM 1036 O ASN A 66 -1.307 12.697 -10.201 1.00 0.00 O ATOM 1037 CB ASN A 66 -4.336 11.951 -11.994 1.00 0.00 C ATOM 1038 CG ASN A 66 -4.148 13.322 -12.643 1.00 0.00 C ATOM 1039 OD1 ASN A 66 -5.227 14.098 -12.593 1.00 0.00 O flip ATOM 1040 ND2 ASN A 66 -3.092 13.656 -13.155 1.00 0.00 N flip ATOM 0 H ASN A 66 -4.186 10.330 -9.995 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.326 11.188 -12.091 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.644 11.227 -12.748 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.136 12.001 -11.255 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.301 13.012 -13.160 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.000 14.579 -13.578 1.00 0.00 H new ATOM 1047 N ASP A 67 -3.415 13.507 -10.076 1.00 0.00 N ATOM 1048 CA ASP A 67 -3.046 14.652 -9.261 1.00 0.00 C ATOM 1049 C ASP A 67 -4.261 15.566 -9.095 1.00 0.00 C ATOM 1050 O ASP A 67 -4.568 16.001 -7.985 1.00 0.00 O ATOM 1051 CB ASP A 67 -1.930 15.462 -9.924 1.00 0.00 C ATOM 1052 CG ASP A 67 -0.934 16.104 -8.956 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -1.326 17.107 -8.320 1.00 0.00 O ATOM 1054 OD2 ASP A 67 0.197 15.577 -8.874 1.00 0.00 O ATOM 0 H ASP A 67 -4.407 13.448 -10.304 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.698 14.283 -8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.383 14.809 -10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.382 16.247 -10.530 1.00 0.00 H new ATOM 1059 N GLY A 68 -4.919 15.833 -10.213 1.00 0.00 N ATOM 1060 CA GLY A 68 -6.092 16.689 -10.205 1.00 0.00 C ATOM 1061 C GLY A 68 -5.705 18.155 -10.401 1.00 0.00 C ATOM 1062 O GLY A 68 -6.568 19.031 -10.441 1.00 0.00 O ATOM 0 H GLY A 68 -4.662 15.471 -11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.776 16.381 -10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.624 16.573 -9.261 1.00 0.00 H new ATOM 1066 N LYS A 69 -4.404 18.379 -10.518 1.00 0.00 N ATOM 1067 CA LYS A 69 -3.890 19.724 -10.709 1.00 0.00 C ATOM 1068 C LYS A 69 -2.964 19.745 -11.927 1.00 0.00 C ATOM 1069 O LYS A 69 -3.033 20.658 -12.747 1.00 0.00 O ATOM 1070 CB LYS A 69 -3.229 20.233 -9.425 1.00 0.00 C ATOM 1071 CG LYS A 69 -4.257 20.884 -8.499 1.00 0.00 C ATOM 1072 CD LYS A 69 -4.512 20.015 -7.265 1.00 0.00 C ATOM 1073 CE LYS A 69 -4.754 20.879 -6.026 1.00 0.00 C ATOM 1074 NZ LYS A 69 -3.479 21.148 -5.324 1.00 0.00 N ATOM 0 H LYS A 69 -3.691 17.651 -10.484 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.706 20.417 -10.917 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.743 19.405 -8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.451 20.954 -9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.902 21.867 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.191 21.039 -9.039 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.376 19.374 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.658 19.360 -7.095 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.221 21.820 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.447 20.374 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.662 21.736 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.048 20.248 -5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.830 21.649 -5.963 1.00 0.00 H new ATOM 1088 N THR A 70 -2.120 18.727 -12.006 1.00 0.00 N ATOM 1089 CA THR A 70 -1.182 18.617 -13.109 1.00 0.00 C ATOM 1090 C THR A 70 -1.597 17.484 -14.050 1.00 0.00 C ATOM 1091 O THR A 70 -1.362 16.312 -13.757 1.00 0.00 O ATOM 1092 CB THR A 70 0.220 18.438 -12.523 1.00 0.00 C ATOM 1093 OG1 THR A 70 0.663 19.768 -12.272 1.00 0.00 O ATOM 1094 CG2 THR A 70 1.219 17.899 -13.549 1.00 0.00 C ATOM 0 H THR A 70 -2.066 17.971 -11.324 1.00 0.00 H new ATOM 0 HA THR A 70 -1.181 19.520 -13.719 1.00 0.00 H new ATOM 0 HB THR A 70 0.174 17.760 -11.671 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.565 19.746 -11.889 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.198 17.791 -13.082 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.880 16.928 -13.911 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.291 18.594 -14.386 1.00 0.00 H new ATOM 1102 N PRO A 71 -2.221 17.882 -15.190 1.00 0.00 N ATOM 1103 CA PRO A 71 -2.671 16.913 -16.176 1.00 0.00 C ATOM 1104 C PRO A 71 -1.491 16.358 -16.976 1.00 0.00 C ATOM 1105 O PRO A 71 -1.335 16.668 -18.155 1.00 0.00 O ATOM 1106 CB PRO A 71 -3.672 17.665 -17.038 1.00 0.00 C ATOM 1107 CG PRO A 71 -3.402 19.142 -16.799 1.00 0.00 C ATOM 1108 CD PRO A 71 -2.516 19.261 -15.570 1.00 0.00 C ATOM 0 HA PRO A 71 -3.135 16.036 -15.724 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.549 17.411 -18.091 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.695 17.406 -16.765 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.913 19.586 -17.666 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.337 19.682 -16.649 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -1.603 19.814 -15.792 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.024 19.793 -14.766 1.00 0.00 H new ATOM 1116 N ARG A 72 -0.690 15.546 -16.301 1.00 0.00 N ATOM 1117 CA ARG A 72 0.470 14.944 -16.935 1.00 0.00 C ATOM 1118 C ARG A 72 0.649 13.502 -16.454 1.00 0.00 C ATOM 1119 O ARG A 72 0.701 12.576 -17.262 1.00 0.00 O ATOM 1120 CB ARG A 72 1.741 15.738 -16.626 1.00 0.00 C ATOM 1121 CG ARG A 72 2.260 16.450 -17.876 1.00 0.00 C ATOM 1122 CD ARG A 72 2.745 15.441 -18.919 1.00 0.00 C ATOM 1123 NE ARG A 72 2.959 16.118 -20.218 1.00 0.00 N ATOM 1124 CZ ARG A 72 3.022 15.483 -21.395 1.00 0.00 C ATOM 1125 NH1 ARG A 72 2.889 14.150 -21.445 1.00 0.00 N ATOM 1126 NH2 ARG A 72 3.219 16.179 -22.524 1.00 0.00 N ATOM 0 H ARG A 72 -0.822 15.291 -15.322 1.00 0.00 H new ATOM 0 HA ARG A 72 0.302 14.954 -18.012 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.536 16.470 -15.845 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.508 15.067 -16.240 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.469 17.067 -18.302 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.076 17.120 -17.605 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.673 14.977 -18.584 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.012 14.642 -19.032 1.00 0.00 H new ATOM 0 HE ARG A 72 3.065 17.132 -20.216 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.740 13.620 -20.586 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.937 13.666 -22.342 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.321 17.193 -22.487 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.267 15.694 -23.420 1.00 0.00 H new ATOM 1140 N ALA A 73 0.738 13.356 -15.141 1.00 0.00 N ATOM 1141 CA ALA A 73 0.911 12.044 -14.542 1.00 0.00 C ATOM 1142 C ALA A 73 0.072 11.023 -15.314 1.00 0.00 C ATOM 1143 O ALA A 73 -1.074 11.297 -15.668 1.00 0.00 O ATOM 1144 CB ALA A 73 0.538 12.104 -13.060 1.00 0.00 C ATOM 0 H ALA A 73 0.693 14.126 -14.474 1.00 0.00 H new ATOM 0 HA ALA A 73 1.953 11.729 -14.602 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.668 11.119 -12.612 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.182 12.822 -12.552 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.502 12.414 -12.959 1.00 0.00 H new ATOM 1150 N VAL A 74 0.673 9.867 -15.551 1.00 0.00 N ATOM 1151 CA VAL A 74 -0.004 8.805 -16.274 1.00 0.00 C ATOM 1152 C VAL A 74 -0.778 7.933 -15.282 1.00 0.00 C ATOM 1153 O VAL A 74 -0.533 6.732 -15.184 1.00 0.00 O ATOM 1154 CB VAL A 74 1.005 8.011 -17.106 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.025 7.308 -16.208 1.00 0.00 C ATOM 1156 CG2 VAL A 74 0.296 7.008 -18.018 1.00 0.00 C ATOM 0 H VAL A 74 1.623 9.642 -15.255 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.727 9.221 -16.976 1.00 0.00 H new ATOM 0 HB VAL A 74 1.545 8.716 -17.738 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.730 6.751 -16.825 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.565 8.050 -15.620 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.508 6.621 -15.538 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.036 6.457 -18.598 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.282 6.311 -17.412 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.372 7.541 -18.695 1.00 0.00 H new ATOM 1166 N ASN A 75 -1.696 8.573 -14.573 1.00 0.00 N ATOM 1167 CA ASN A 75 -2.508 7.870 -13.592 1.00 0.00 C ATOM 1168 C ASN A 75 -2.989 6.546 -14.189 1.00 0.00 C ATOM 1169 O ASN A 75 -4.000 6.507 -14.888 1.00 0.00 O ATOM 1170 CB ASN A 75 -3.741 8.691 -13.209 1.00 0.00 C ATOM 1171 CG ASN A 75 -4.609 8.981 -14.434 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -4.154 8.975 -15.567 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -5.884 9.234 -14.147 1.00 0.00 N ATOM 0 H ASN A 75 -1.896 9.570 -14.657 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.896 7.702 -12.706 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.325 8.150 -12.465 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.429 9.629 -12.750 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.545 9.439 -14.897 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.200 9.223 -13.177 1.00 0.00 H new ATOM 1180 N ALA A 76 -2.240 5.494 -13.891 1.00 0.00 N ATOM 1181 CA ALA A 76 -2.578 4.171 -14.390 1.00 0.00 C ATOM 1182 C ALA A 76 -3.659 3.556 -13.500 1.00 0.00 C ATOM 1183 O ALA A 76 -4.266 2.548 -13.860 1.00 0.00 O ATOM 1184 CB ALA A 76 -1.313 3.311 -14.451 1.00 0.00 C ATOM 0 H ALA A 76 -1.402 5.531 -13.311 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.980 4.233 -15.401 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.565 2.319 -14.825 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.588 3.777 -15.119 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.884 3.224 -13.453 1.00 0.00 H new ATOM 1190 N CYS A 77 -3.868 4.188 -12.354 1.00 0.00 N ATOM 1191 CA CYS A 77 -4.865 3.715 -11.410 1.00 0.00 C ATOM 1192 C CYS A 77 -6.194 4.404 -11.729 1.00 0.00 C ATOM 1193 O CYS A 77 -7.261 3.872 -11.428 1.00 0.00 O ATOM 1194 CB CYS A 77 -4.433 3.954 -9.962 1.00 0.00 C ATOM 1195 SG CYS A 77 -5.446 3.093 -8.705 1.00 0.00 S ATOM 0 H CYS A 77 -3.363 5.024 -12.058 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.981 2.636 -11.512 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.396 3.638 -9.851 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.463 5.025 -9.761 1.00 0.00 H new ATOM 1200 N GLY A 78 -6.084 5.577 -12.336 1.00 0.00 N ATOM 1201 CA GLY A 78 -7.264 6.344 -12.699 1.00 0.00 C ATOM 1202 C GLY A 78 -8.016 6.817 -11.454 1.00 0.00 C ATOM 1203 O GLY A 78 -9.215 6.577 -11.320 1.00 0.00 O ATOM 0 H GLY A 78 -5.197 6.015 -12.585 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.972 7.205 -13.300 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.923 5.733 -13.316 1.00 0.00 H new ATOM 1207 N ILE A 79 -7.281 7.480 -10.574 1.00 0.00 N ATOM 1208 CA ILE A 79 -7.864 7.988 -9.343 1.00 0.00 C ATOM 1209 C ILE A 79 -7.131 9.265 -8.927 1.00 0.00 C ATOM 1210 O ILE A 79 -6.061 9.569 -9.449 1.00 0.00 O ATOM 1211 CB ILE A 79 -7.870 6.903 -8.265 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.668 7.053 -7.330 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -7.940 5.509 -8.891 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.366 6.694 -8.050 1.00 0.00 C ATOM 0 H ILE A 79 -6.287 7.678 -10.688 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.909 8.255 -9.498 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.767 7.028 -7.658 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.614 8.078 -6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.797 6.409 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.943 4.756 -8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.852 5.420 -9.481 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.075 5.356 -9.536 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.527 6.809 -7.364 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.414 5.661 -8.395 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.229 7.356 -8.905 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.738 9.978 -7.990 1.00 0.00 N ATOM 1227 CA ASN A 80 -7.158 11.215 -7.497 1.00 0.00 C ATOM 1228 C ASN A 80 -6.122 10.893 -6.417 1.00 0.00 C ATOM 1229 O ASN A 80 -6.437 10.235 -5.427 1.00 0.00 O ATOM 1230 CB ASN A 80 -8.225 12.116 -6.874 1.00 0.00 C ATOM 1231 CG ASN A 80 -8.719 13.158 -7.879 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -8.003 13.589 -8.768 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -9.981 13.536 -7.691 1.00 0.00 N ATOM 0 H ASN A 80 -8.626 9.722 -7.559 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.700 11.731 -8.341 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -9.064 11.509 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.816 12.617 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.404 14.226 -8.311 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.525 13.135 -6.927 1.00 0.00 H new ATOM 1240 N CYS A 81 -4.907 11.372 -6.645 1.00 0.00 N ATOM 1241 CA CYS A 81 -3.824 11.143 -5.704 1.00 0.00 C ATOM 1242 C CYS A 81 -4.333 11.468 -4.298 1.00 0.00 C ATOM 1243 O CYS A 81 -3.896 10.862 -3.321 1.00 0.00 O ATOM 1244 CB CYS A 81 -2.581 11.959 -6.064 1.00 0.00 C ATOM 1245 SG CYS A 81 -1.880 11.601 -7.716 1.00 0.00 S ATOM 0 H CYS A 81 -4.649 11.917 -7.468 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.517 10.098 -5.745 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -2.832 13.019 -6.013 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -1.813 11.777 -5.312 1.00 0.00 H new ATOM 1250 N SER A 82 -5.249 12.423 -4.240 1.00 0.00 N ATOM 1251 CA SER A 82 -5.822 12.836 -2.970 1.00 0.00 C ATOM 1252 C SER A 82 -6.363 11.617 -2.220 1.00 0.00 C ATOM 1253 O SER A 82 -6.388 11.602 -0.991 1.00 0.00 O ATOM 1254 CB SER A 82 -6.931 13.869 -3.176 1.00 0.00 C ATOM 1255 OG SER A 82 -6.899 14.891 -2.183 1.00 0.00 O ATOM 0 H SER A 82 -5.609 12.923 -5.053 1.00 0.00 H new ATOM 0 HA SER A 82 -5.036 13.302 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.828 14.319 -4.163 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.900 13.370 -3.152 1.00 0.00 H new ATOM 0 HG SER A 82 -7.621 15.532 -2.350 1.00 0.00 H new ATOM 1261 N ALA A 83 -6.785 10.627 -2.992 1.00 0.00 N ATOM 1262 CA ALA A 83 -7.325 9.407 -2.416 1.00 0.00 C ATOM 1263 C ALA A 83 -6.218 8.673 -1.656 1.00 0.00 C ATOM 1264 O ALA A 83 -6.488 7.721 -0.926 1.00 0.00 O ATOM 1265 CB ALA A 83 -7.940 8.548 -3.523 1.00 0.00 C ATOM 0 H ALA A 83 -6.764 10.644 -4.012 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.117 9.637 -1.704 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.345 7.633 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.740 9.103 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.173 8.295 -4.255 1.00 0.00 H new ATOM 1271 N LEU A 84 -4.995 9.145 -1.854 1.00 0.00 N ATOM 1272 CA LEU A 84 -3.847 8.546 -1.195 1.00 0.00 C ATOM 1273 C LEU A 84 -3.414 9.434 -0.026 1.00 0.00 C ATOM 1274 O LEU A 84 -2.368 9.202 0.579 1.00 0.00 O ATOM 1275 CB LEU A 84 -2.732 8.274 -2.207 1.00 0.00 C ATOM 1276 CG LEU A 84 -3.183 7.974 -3.638 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -2.000 8.024 -4.607 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -3.927 6.639 -3.710 1.00 0.00 C ATOM 0 H LEU A 84 -4.775 9.935 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.111 7.575 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.070 9.140 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.141 7.431 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.884 8.750 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.348 7.807 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.552 9.017 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.257 7.283 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.237 6.450 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.269 5.837 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.807 6.678 -3.067 1.00 0.00 H new ATOM 1290 N LEU A 85 -4.241 10.429 0.257 1.00 0.00 N ATOM 1291 CA LEU A 85 -3.956 11.352 1.342 1.00 0.00 C ATOM 1292 C LEU A 85 -5.242 11.622 2.126 1.00 0.00 C ATOM 1293 O LEU A 85 -5.289 12.530 2.955 1.00 0.00 O ATOM 1294 CB LEU A 85 -3.286 12.619 0.807 1.00 0.00 C ATOM 1295 CG LEU A 85 -2.324 13.325 1.765 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -1.289 12.346 2.323 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -1.667 14.532 1.092 1.00 0.00 C ATOM 0 H LEU A 85 -5.108 10.616 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.242 10.912 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.740 12.362 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.065 13.325 0.521 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.899 13.702 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.618 12.873 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.798 11.548 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.713 11.918 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.988 15.016 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.108 14.201 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.436 15.240 0.785 1.00 0.00 H new ATOM 1309 N GLN A 86 -6.253 10.816 1.839 1.00 0.00 N ATOM 1310 CA GLN A 86 -7.536 10.955 2.507 1.00 0.00 C ATOM 1311 C GLN A 86 -7.600 10.039 3.730 1.00 0.00 C ATOM 1312 O GLN A 86 -6.597 9.440 4.115 1.00 0.00 O ATOM 1313 CB GLN A 86 -8.690 10.668 1.544 1.00 0.00 C ATOM 1314 CG GLN A 86 -8.737 11.704 0.419 1.00 0.00 C ATOM 1315 CD GLN A 86 -10.062 12.469 0.434 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -10.675 12.681 1.467 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -10.467 12.871 -0.768 1.00 0.00 N ATOM 0 H GLN A 86 -6.210 10.063 1.152 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.638 11.986 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.575 9.671 1.120 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.634 10.675 2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.908 12.403 0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -8.610 11.208 -0.543 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -9.905 12.660 -1.593 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.339 13.391 -0.865 1.00 0.00 H new ATOM 1326 N ASP A 87 -8.790 9.957 4.306 1.00 0.00 N ATOM 1327 CA ASP A 87 -8.998 9.123 5.478 1.00 0.00 C ATOM 1328 C ASP A 87 -9.167 7.667 5.038 1.00 0.00 C ATOM 1329 O ASP A 87 -8.299 6.834 5.294 1.00 0.00 O ATOM 1330 CB ASP A 87 -10.263 9.538 6.232 1.00 0.00 C ATOM 1331 CG ASP A 87 -10.074 9.768 7.733 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -9.480 10.813 8.076 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -10.530 8.895 8.502 1.00 0.00 O ATOM 0 H ASP A 87 -9.620 10.454 3.983 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.134 9.239 6.132 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.650 10.454 5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.022 8.768 6.090 1.00 0.00 H new ATOM 1338 N ASP A 88 -10.289 7.405 4.384 1.00 0.00 N ATOM 1339 CA ASP A 88 -10.582 6.065 3.907 1.00 0.00 C ATOM 1340 C ASP A 88 -9.415 5.566 3.053 1.00 0.00 C ATOM 1341 O ASP A 88 -8.924 6.286 2.185 1.00 0.00 O ATOM 1342 CB ASP A 88 -11.842 6.053 3.039 1.00 0.00 C ATOM 1343 CG ASP A 88 -12.955 6.995 3.501 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -12.869 8.191 3.148 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -13.866 6.498 4.198 1.00 0.00 O ATOM 0 H ASP A 88 -11.006 8.099 4.173 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.736 5.424 4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.564 6.316 2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.235 5.037 3.010 1.00 0.00 H new ATOM 1350 N ILE A 89 -9.004 4.337 3.330 1.00 0.00 N ATOM 1351 CA ILE A 89 -7.904 3.733 2.597 1.00 0.00 C ATOM 1352 C ILE A 89 -8.462 2.920 1.427 1.00 0.00 C ATOM 1353 O ILE A 89 -7.704 2.302 0.678 1.00 0.00 O ATOM 1354 CB ILE A 89 -7.014 2.921 3.541 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -7.793 1.766 4.172 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -6.371 3.822 4.597 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -6.858 0.616 4.549 1.00 0.00 C ATOM 0 H ILE A 89 -9.413 3.743 4.052 1.00 0.00 H new ATOM 0 HA ILE A 89 -7.260 4.503 2.172 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.206 2.482 2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.318 2.119 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.551 1.410 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.744 3.221 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.760 4.580 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.150 4.309 5.183 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.437 -0.192 4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.353 0.250 3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.117 0.970 5.265 1.00 0.00 H new ATOM 1369 N THR A 90 -9.780 2.944 1.305 1.00 0.00 N ATOM 1370 CA THR A 90 -10.447 2.217 0.239 1.00 0.00 C ATOM 1371 C THR A 90 -9.705 2.410 -1.084 1.00 0.00 C ATOM 1372 O THR A 90 -9.621 1.487 -1.893 1.00 0.00 O ATOM 1373 CB THR A 90 -11.905 2.681 0.190 1.00 0.00 C ATOM 1374 OG1 THR A 90 -12.492 1.875 -0.828 1.00 0.00 O ATOM 1375 CG2 THR A 90 -12.048 4.110 -0.337 1.00 0.00 C ATOM 0 H THR A 90 -10.405 3.456 1.927 1.00 0.00 H new ATOM 0 HA THR A 90 -10.438 1.143 0.428 1.00 0.00 H new ATOM 0 HB THR A 90 -12.339 2.617 1.188 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.439 2.109 -0.925 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.102 4.389 -0.351 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.500 4.794 0.312 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.644 4.167 -1.348 1.00 0.00 H new ATOM 1383 N ALA A 91 -9.183 3.615 -1.263 1.00 0.00 N ATOM 1384 CA ALA A 91 -8.449 3.941 -2.475 1.00 0.00 C ATOM 1385 C ALA A 91 -7.082 3.254 -2.437 1.00 0.00 C ATOM 1386 O ALA A 91 -6.617 2.734 -3.450 1.00 0.00 O ATOM 1387 CB ALA A 91 -8.336 5.461 -2.609 1.00 0.00 C ATOM 0 H ALA A 91 -9.254 4.377 -0.589 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.977 3.575 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.786 5.706 -3.517 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.334 5.897 -2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.808 5.864 -1.745 1.00 0.00 H new ATOM 1393 N ALA A 92 -6.477 3.277 -1.259 1.00 0.00 N ATOM 1394 CA ALA A 92 -5.172 2.663 -1.076 1.00 0.00 C ATOM 1395 C ALA A 92 -5.270 1.166 -1.383 1.00 0.00 C ATOM 1396 O ALA A 92 -4.370 0.595 -1.996 1.00 0.00 O ATOM 1397 CB ALA A 92 -4.674 2.935 0.344 1.00 0.00 C ATOM 0 H ALA A 92 -6.866 3.711 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.445 3.094 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.696 2.475 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.594 4.011 0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.377 2.514 1.063 1.00 0.00 H new ATOM 1403 N ILE A 93 -6.370 0.576 -0.942 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.596 -0.843 -1.161 1.00 0.00 C ATOM 1405 C ILE A 93 -6.924 -1.080 -2.637 1.00 0.00 C ATOM 1406 O ILE A 93 -6.318 -1.935 -3.281 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.665 -1.370 -0.202 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -7.413 -0.877 1.224 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.762 -2.895 -0.273 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -8.411 -1.497 2.203 1.00 0.00 C ATOM 0 H ILE A 93 -7.115 1.054 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.693 -1.411 -0.938 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.630 -0.972 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.397 -1.130 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.494 0.210 1.256 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.529 -3.243 0.418 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.024 -3.196 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.802 -3.334 -0.001 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.210 -1.130 3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.425 -1.222 1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.311 -2.582 2.186 1.00 0.00 H new ATOM 1422 N GLN A 94 -7.881 -0.308 -3.129 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.296 -0.424 -4.517 1.00 0.00 C ATOM 1424 C GLN A 94 -7.098 -0.227 -5.447 1.00 0.00 C ATOM 1425 O GLN A 94 -6.878 -1.023 -6.359 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.412 0.574 -4.841 1.00 0.00 C ATOM 1427 CG GLN A 94 -10.196 0.135 -6.078 1.00 0.00 C ATOM 1428 CD GLN A 94 -9.823 0.985 -7.294 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -10.502 1.934 -7.652 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -8.710 0.594 -7.907 1.00 0.00 N ATOM 0 H GLN A 94 -8.381 0.400 -2.592 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.693 -1.427 -4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -10.087 0.660 -3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -8.984 1.562 -5.009 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -9.993 -0.915 -6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -11.265 0.220 -5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.189 -0.209 -7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.377 1.097 -8.729 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.354 0.838 -5.186 1.00 0.00 N ATOM 1440 CA CYS A 95 -5.184 1.149 -5.989 1.00 0.00 C ATOM 1441 C CYS A 95 -4.130 0.069 -5.740 1.00 0.00 C ATOM 1442 O CYS A 95 -3.485 -0.403 -6.676 1.00 0.00 O ATOM 1443 CB CYS A 95 -4.648 2.551 -5.688 1.00 0.00 C ATOM 1444 SG CYS A 95 -3.983 3.445 -7.140 1.00 0.00 S ATOM 0 H CYS A 95 -6.539 1.496 -4.429 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.455 1.154 -7.045 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.450 3.145 -5.249 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -3.862 2.471 -4.937 1.00 0.00 H new ATOM 1449 N ALA A 96 -3.986 -0.291 -4.473 1.00 0.00 N ATOM 1450 CA ALA A 96 -3.020 -1.306 -4.088 1.00 0.00 C ATOM 1451 C ALA A 96 -3.212 -2.545 -4.967 1.00 0.00 C ATOM 1452 O ALA A 96 -2.250 -3.068 -5.526 1.00 0.00 O ATOM 1453 CB ALA A 96 -3.174 -1.620 -2.599 1.00 0.00 C ATOM 0 H ALA A 96 -4.522 0.102 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.003 -0.945 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.449 -2.381 -2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.001 -0.715 -2.017 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.182 -1.988 -2.407 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.461 -2.977 -5.061 1.00 0.00 N ATOM 1460 CA LYS A 97 -4.792 -4.144 -5.862 1.00 0.00 C ATOM 1461 C LYS A 97 -4.612 -3.807 -7.343 1.00 0.00 C ATOM 1462 O LYS A 97 -4.056 -4.602 -8.101 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.191 -4.654 -5.513 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.253 -3.595 -5.815 1.00 0.00 C ATOM 1465 CD LYS A 97 -8.656 -4.202 -5.788 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.638 -3.349 -6.594 1.00 0.00 C ATOM 1467 NZ LYS A 97 -10.316 -4.172 -7.622 1.00 0.00 N ATOM 0 H LYS A 97 -5.256 -2.540 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.113 -4.966 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.404 -5.560 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.231 -4.923 -4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.187 -2.790 -5.083 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.063 -3.153 -6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.627 -5.212 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.001 -4.284 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.378 -2.907 -5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.107 -2.525 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -10.979 -3.578 -8.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.607 -4.573 -8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.839 -4.943 -7.160 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.092 -2.628 -7.712 1.00 0.00 N ATOM 1482 CA ARG A 98 -4.990 -2.177 -9.090 1.00 0.00 C ATOM 1483 C ARG A 98 -3.521 -2.057 -9.502 1.00 0.00 C ATOM 1484 O ARG A 98 -3.200 -2.115 -10.688 1.00 0.00 O ATOM 1485 CB ARG A 98 -5.677 -0.823 -9.278 1.00 0.00 C ATOM 1486 CG ARG A 98 -5.690 -0.415 -10.753 1.00 0.00 C ATOM 1487 CD ARG A 98 -7.108 -0.075 -11.215 1.00 0.00 C ATOM 1488 NE ARG A 98 -7.113 0.206 -12.668 1.00 0.00 N ATOM 1489 CZ ARG A 98 -7.146 -0.739 -13.617 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -7.179 -2.034 -13.272 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -7.147 -0.391 -14.911 1.00 0.00 N ATOM 0 H ARG A 98 -5.552 -1.972 -7.081 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.488 -2.915 -9.718 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.699 -0.874 -8.902 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.159 -0.064 -8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.039 0.446 -10.901 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.290 -1.226 -11.362 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.780 -0.904 -10.994 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.480 0.791 -10.667 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.090 1.181 -12.966 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.179 -2.300 -12.287 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.204 -2.754 -13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.123 0.594 -15.174 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.172 -1.111 -15.633 1.00 0.00 H new ATOM 1505 N VAL A 99 -2.670 -1.892 -8.501 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.243 -1.764 -8.745 1.00 0.00 C ATOM 1507 C VAL A 99 -0.618 -3.158 -8.837 1.00 0.00 C ATOM 1508 O VAL A 99 -0.007 -3.503 -9.846 1.00 0.00 O ATOM 1509 CB VAL A 99 -0.604 -0.891 -7.664 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.921 -0.897 -7.785 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -1.153 0.536 -7.715 1.00 0.00 C ATOM 0 H VAL A 99 -2.941 -1.844 -7.519 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.061 -1.264 -9.696 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.865 -1.315 -6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.350 -0.269 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.291 -1.916 -7.674 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.210 -0.510 -8.762 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.682 1.135 -6.936 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.938 0.974 -8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.231 0.517 -7.556 1.00 0.00 H new ATOM 1521 N VAL A 100 -0.793 -3.921 -7.768 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.254 -5.269 -7.715 1.00 0.00 C ATOM 1523 C VAL A 100 -0.867 -6.104 -8.841 1.00 0.00 C ATOM 1524 O VAL A 100 -0.294 -7.111 -9.254 1.00 0.00 O ATOM 1525 CB VAL A 100 -0.489 -5.872 -6.328 1.00 0.00 C ATOM 1526 CG1 VAL A 100 0.085 -7.288 -6.242 1.00 0.00 C ATOM 1527 CG2 VAL A 100 0.094 -4.975 -5.234 1.00 0.00 C ATOM 0 H VAL A 100 -1.300 -3.631 -6.932 1.00 0.00 H new ATOM 0 HA VAL A 100 0.825 -5.255 -7.871 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.565 -5.937 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.095 -7.694 -5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.398 -7.922 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.158 -7.258 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.087 -5.427 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.167 -4.863 -5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.383 -3.996 -5.274 1.00 0.00 H new ATOM 1537 N ARG A 101 -2.024 -5.655 -9.306 1.00 0.00 N ATOM 1538 CA ARG A 101 -2.720 -6.347 -10.376 1.00 0.00 C ATOM 1539 C ARG A 101 -1.896 -6.296 -11.665 1.00 0.00 C ATOM 1540 O ARG A 101 -2.149 -7.057 -12.597 1.00 0.00 O ATOM 1541 CB ARG A 101 -4.094 -5.725 -10.632 1.00 0.00 C ATOM 1542 CG ARG A 101 -5.187 -6.475 -9.867 1.00 0.00 C ATOM 1543 CD ARG A 101 -6.551 -5.814 -10.072 1.00 0.00 C ATOM 1544 NE ARG A 101 -7.632 -6.776 -9.755 1.00 0.00 N ATOM 1545 CZ ARG A 101 -7.968 -7.812 -10.534 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -7.311 -8.027 -11.682 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -8.962 -8.632 -10.167 1.00 0.00 N ATOM 0 H ARG A 101 -2.497 -4.820 -8.960 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.855 -7.384 -10.068 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.086 -4.678 -10.328 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.313 -5.745 -11.700 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.226 -7.511 -10.204 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -4.944 -6.495 -8.805 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.637 -4.934 -9.435 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.648 -5.472 -11.102 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.153 -6.641 -8.889 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.555 -7.402 -11.962 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -7.567 -8.816 -12.276 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.463 -8.467 -9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -9.218 -9.421 -10.761 1.00 0.00 H new ATOM 1561 N ASP A 102 -0.928 -5.392 -11.676 1.00 0.00 N ATOM 1562 CA ASP A 102 -0.066 -5.231 -12.835 1.00 0.00 C ATOM 1563 C ASP A 102 0.972 -6.355 -12.851 1.00 0.00 C ATOM 1564 O ASP A 102 1.000 -7.193 -11.951 1.00 0.00 O ATOM 1565 CB ASP A 102 0.681 -3.898 -12.785 1.00 0.00 C ATOM 1566 CG ASP A 102 0.404 -2.957 -13.961 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -0.538 -3.265 -14.723 1.00 0.00 O ATOM 1568 OD2 ASP A 102 1.141 -1.953 -14.070 1.00 0.00 O ATOM 0 H ASP A 102 -0.721 -4.763 -10.900 1.00 0.00 H new ATOM 0 HA ASP A 102 -0.691 -5.260 -13.728 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.418 -3.386 -11.859 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.751 -4.100 -12.745 1.00 0.00 H new ATOM 1573 N PRO A 103 1.823 -6.335 -13.912 1.00 0.00 N ATOM 1574 CA PRO A 103 2.860 -7.341 -14.058 1.00 0.00 C ATOM 1575 C PRO A 103 4.013 -7.085 -13.085 1.00 0.00 C ATOM 1576 O PRO A 103 5.003 -7.815 -13.084 1.00 0.00 O ATOM 1577 CB PRO A 103 3.285 -7.261 -15.515 1.00 0.00 C ATOM 1578 CG PRO A 103 2.805 -5.908 -16.015 1.00 0.00 C ATOM 1579 CD PRO A 103 1.819 -5.357 -14.997 1.00 0.00 C ATOM 0 HA PRO A 103 2.510 -8.344 -13.814 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.367 -7.352 -15.612 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.844 -8.071 -16.096 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.647 -5.226 -16.139 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.330 -6.008 -16.991 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.123 -4.372 -14.644 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.824 -5.248 -15.428 1.00 0.00 H new ATOM 1587 N GLN A 104 3.846 -6.045 -12.281 1.00 0.00 N ATOM 1588 CA GLN A 104 4.860 -5.684 -11.305 1.00 0.00 C ATOM 1589 C GLN A 104 4.929 -6.736 -10.195 1.00 0.00 C ATOM 1590 O GLN A 104 5.965 -7.369 -9.998 1.00 0.00 O ATOM 1591 CB GLN A 104 4.593 -4.294 -10.725 1.00 0.00 C ATOM 1592 CG GLN A 104 4.451 -3.254 -11.839 1.00 0.00 C ATOM 1593 CD GLN A 104 5.760 -2.489 -12.046 1.00 0.00 C ATOM 1594 OE1 GLN A 104 6.468 -2.155 -11.110 1.00 0.00 O ATOM 1595 NE2 GLN A 104 6.041 -2.233 -13.320 1.00 0.00 N ATOM 0 H GLN A 104 3.024 -5.441 -12.286 1.00 0.00 H new ATOM 0 HA GLN A 104 5.826 -5.653 -11.810 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.684 -4.315 -10.124 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.409 -4.011 -10.060 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.163 -3.747 -12.767 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.653 -2.555 -11.589 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.404 -2.541 -14.055 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.893 -1.728 -13.563 1.00 0.00 H new ATOM 1604 N GLY A 105 3.811 -6.890 -9.500 1.00 0.00 N ATOM 1605 CA GLY A 105 3.731 -7.855 -8.417 1.00 0.00 C ATOM 1606 C GLY A 105 4.354 -7.294 -7.137 1.00 0.00 C ATOM 1607 O GLY A 105 5.181 -6.385 -7.191 1.00 0.00 O ATOM 0 H GLY A 105 2.954 -6.363 -9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.689 -8.117 -8.234 1.00 0.00 H new ATOM 0 HA3 GLY A 105 4.244 -8.773 -8.704 1.00 0.00 H new ATOM 1611 N ILE A 106 3.935 -7.861 -6.015 1.00 0.00 N ATOM 1612 CA ILE A 106 4.442 -7.428 -4.724 1.00 0.00 C ATOM 1613 C ILE A 106 5.953 -7.205 -4.822 1.00 0.00 C ATOM 1614 O ILE A 106 6.512 -6.390 -4.091 1.00 0.00 O ATOM 1615 CB ILE A 106 4.036 -8.419 -3.631 1.00 0.00 C ATOM 1616 CG1 ILE A 106 2.602 -8.163 -3.164 1.00 0.00 C ATOM 1617 CG2 ILE A 106 5.030 -8.389 -2.467 1.00 0.00 C ATOM 1618 CD1 ILE A 106 2.499 -6.838 -2.406 1.00 0.00 C ATOM 0 H ILE A 106 3.251 -8.616 -5.973 1.00 0.00 H new ATOM 0 HA ILE A 106 3.997 -6.474 -4.440 1.00 0.00 H new ATOM 0 HB ILE A 106 4.063 -9.423 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.933 -8.146 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.274 -8.980 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.718 -9.102 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.023 -8.656 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.058 -7.387 -2.038 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.469 -6.681 -2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.150 -6.867 -1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.804 -6.020 -3.059 1.00 0.00 H new ATOM 1630 N ARG A 107 6.570 -7.946 -5.730 1.00 0.00 N ATOM 1631 CA ARG A 107 8.004 -7.839 -5.934 1.00 0.00 C ATOM 1632 C ARG A 107 8.438 -6.372 -5.902 1.00 0.00 C ATOM 1633 O ARG A 107 9.522 -6.053 -5.417 1.00 0.00 O ATOM 1634 CB ARG A 107 8.419 -8.457 -7.271 1.00 0.00 C ATOM 1635 CG ARG A 107 9.859 -8.972 -7.215 1.00 0.00 C ATOM 1636 CD ARG A 107 10.774 -8.142 -8.116 1.00 0.00 C ATOM 1637 NE ARG A 107 11.798 -9.012 -8.736 1.00 0.00 N ATOM 1638 CZ ARG A 107 12.494 -8.687 -9.834 1.00 0.00 C ATOM 1639 NH1 ARG A 107 12.280 -7.511 -10.440 1.00 0.00 N ATOM 1640 NH2 ARG A 107 13.404 -9.539 -10.326 1.00 0.00 N ATOM 0 H ARG A 107 6.103 -8.623 -6.333 1.00 0.00 H new ATOM 0 HA ARG A 107 8.494 -8.384 -5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 107 7.746 -9.277 -7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 107 8.325 -7.714 -8.063 1.00 0.00 H new ATOM 0 HG2 ARG A 107 10.223 -8.934 -6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.888 -10.017 -7.525 1.00 0.00 H new ATOM 0 HD2 ARG A 107 10.186 -7.649 -8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 107 11.256 -7.357 -7.534 1.00 0.00 H new ATOM 0 HE ARG A 107 11.986 -9.915 -8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 107 11.587 -6.863 -10.065 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.810 -7.264 -11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.566 -10.434 -9.865 1.00 0.00 H new ATOM 0 HH22 ARG A 107 13.934 -9.292 -11.162 1.00 0.00 H new ATOM 1654 N ALA A 108 7.568 -5.521 -6.425 1.00 0.00 N ATOM 1655 CA ALA A 108 7.848 -4.095 -6.463 1.00 0.00 C ATOM 1656 C ALA A 108 8.432 -3.659 -5.117 1.00 0.00 C ATOM 1657 O ALA A 108 9.294 -2.783 -5.065 1.00 0.00 O ATOM 1658 CB ALA A 108 6.569 -3.334 -6.818 1.00 0.00 C ATOM 0 H ALA A 108 6.670 -5.791 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 108 8.587 -3.868 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.778 -2.265 -6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 108 6.211 -3.660 -7.794 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.806 -3.534 -6.066 1.00 0.00 H new ATOM 1664 N TRP A 109 7.937 -4.288 -4.061 1.00 0.00 N ATOM 1665 CA TRP A 109 8.399 -3.976 -2.720 1.00 0.00 C ATOM 1666 C TRP A 109 9.364 -5.080 -2.283 1.00 0.00 C ATOM 1667 O TRP A 109 9.086 -5.815 -1.337 1.00 0.00 O ATOM 1668 CB TRP A 109 7.219 -3.801 -1.761 1.00 0.00 C ATOM 1669 CG TRP A 109 6.220 -2.726 -2.194 1.00 0.00 C ATOM 1670 CD1 TRP A 109 6.286 -1.405 -1.984 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.994 -2.938 -2.925 1.00 0.00 C ATOM 1672 NE1 TRP A 109 5.197 -0.752 -2.524 1.00 0.00 N ATOM 1673 CE2 TRP A 109 4.386 -1.714 -3.115 1.00 0.00 C ATOM 1674 CE3 TRP A 109 4.417 -4.125 -3.412 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 3.170 -1.556 -3.792 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 3.203 -3.952 -4.086 1.00 0.00 C ATOM 1677 CH2 TRP A 109 2.577 -2.726 -4.284 1.00 0.00 C ATOM 0 H TRP A 109 7.220 -5.012 -4.107 1.00 0.00 H new ATOM 0 HA TRP A 109 8.930 -3.024 -2.707 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.696 -4.753 -1.668 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.602 -3.550 -0.772 1.00 0.00 H new ATOM 0 HD1 TRP A 109 7.091 -0.913 -1.458 1.00 0.00 H new ATOM 0 HE1 TRP A 109 5.020 0.252 -2.495 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.875 -5.094 -3.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.715 -0.586 -3.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 2.718 -4.833 -4.480 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.638 -2.676 -4.815 1.00 0.00 H new ATOM 1688 N VAL A 110 10.481 -5.161 -2.993 1.00 0.00 N ATOM 1689 CA VAL A 110 11.490 -6.162 -2.690 1.00 0.00 C ATOM 1690 C VAL A 110 11.707 -6.219 -1.177 1.00 0.00 C ATOM 1691 O VAL A 110 12.101 -7.254 -0.642 1.00 0.00 O ATOM 1692 CB VAL A 110 12.772 -5.863 -3.469 1.00 0.00 C ATOM 1693 CG1 VAL A 110 13.865 -6.880 -3.133 1.00 0.00 C ATOM 1694 CG2 VAL A 110 12.504 -5.822 -4.974 1.00 0.00 C ATOM 0 H VAL A 110 10.709 -4.550 -3.777 1.00 0.00 H new ATOM 0 HA VAL A 110 11.157 -7.150 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 110 13.126 -4.877 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.766 -6.646 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 110 14.086 -6.838 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 110 13.523 -7.882 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 110 13.432 -5.608 -5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.114 -6.786 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.774 -5.043 -5.192 1.00 0.00 H new ATOM 1704 N ALA A 111 11.442 -5.093 -0.531 1.00 0.00 N ATOM 1705 CA ALA A 111 11.604 -5.002 0.911 1.00 0.00 C ATOM 1706 C ALA A 111 10.954 -6.219 1.571 1.00 0.00 C ATOM 1707 O ALA A 111 11.557 -6.859 2.432 1.00 0.00 O ATOM 1708 CB ALA A 111 11.013 -3.682 1.409 1.00 0.00 C ATOM 0 H ALA A 111 11.116 -4.236 -0.979 1.00 0.00 H new ATOM 0 HA ALA A 111 12.660 -5.007 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 111 11.134 -3.614 2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.530 -2.849 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.953 -3.641 1.160 1.00 0.00 H new ATOM 1714 N TRP A 112 9.732 -6.502 1.142 1.00 0.00 N ATOM 1715 CA TRP A 112 8.993 -7.631 1.681 1.00 0.00 C ATOM 1716 C TRP A 112 9.812 -8.898 1.424 1.00 0.00 C ATOM 1717 O TRP A 112 9.820 -9.813 2.246 1.00 0.00 O ATOM 1718 CB TRP A 112 7.585 -7.698 1.088 1.00 0.00 C ATOM 1719 CG TRP A 112 7.180 -9.092 0.604 1.00 0.00 C ATOM 1720 CD1 TRP A 112 6.382 -9.978 1.216 1.00 0.00 C ATOM 1721 CD2 TRP A 112 7.587 -9.728 -0.626 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.246 -11.134 0.473 1.00 0.00 N ATOM 1723 CE2 TRP A 112 7.002 -10.977 -0.682 1.00 0.00 C ATOM 1724 CE3 TRP A 112 8.421 -9.263 -1.658 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 7.189 -11.863 -1.749 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 8.598 -10.161 -2.716 1.00 0.00 C ATOM 1727 CH2 TRP A 112 8.017 -11.421 -2.788 1.00 0.00 C ATOM 0 H TRP A 112 9.236 -5.969 0.428 1.00 0.00 H new ATOM 0 HA TRP A 112 8.850 -7.521 2.756 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.869 -7.363 1.839 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.520 -7.001 0.252 1.00 0.00 H new ATOM 0 HD1 TRP A 112 5.905 -9.809 2.170 1.00 0.00 H new ATOM 0 HE1 TRP A 112 5.692 -11.953 0.726 1.00 0.00 H new ATOM 0 HE3 TRP A 112 8.888 -8.289 -1.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 6.720 -12.836 -1.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 9.231 -9.853 -3.535 1.00 0.00 H new ATOM 0 HH2 TRP A 112 8.203 -12.056 -3.641 1.00 0.00 H new ATOM 1738 N ARG A 113 10.481 -8.911 0.280 1.00 0.00 N ATOM 1739 CA ARG A 113 11.300 -10.050 -0.096 1.00 0.00 C ATOM 1740 C ARG A 113 12.471 -10.204 0.876 1.00 0.00 C ATOM 1741 O ARG A 113 13.117 -11.250 0.914 1.00 0.00 O ATOM 1742 CB ARG A 113 11.843 -9.893 -1.518 1.00 0.00 C ATOM 1743 CG ARG A 113 12.211 -11.251 -2.117 1.00 0.00 C ATOM 1744 CD ARG A 113 12.362 -11.158 -3.636 1.00 0.00 C ATOM 1745 NE ARG A 113 13.198 -12.274 -4.132 1.00 0.00 N ATOM 1746 CZ ARG A 113 13.362 -12.572 -5.428 1.00 0.00 C ATOM 1747 NH1 ARG A 113 12.750 -11.837 -6.367 1.00 0.00 N ATOM 1748 NH2 ARG A 113 14.139 -13.603 -5.785 1.00 0.00 N ATOM 0 H ARG A 113 10.472 -8.150 -0.399 1.00 0.00 H new ATOM 0 HA ARG A 113 10.671 -10.939 -0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 113 11.096 -9.406 -2.145 1.00 0.00 H new ATOM 0 HB3 ARG A 113 12.721 -9.247 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 113 13.143 -11.606 -1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 113 11.442 -11.982 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.381 -11.190 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.816 -10.205 -3.907 1.00 0.00 H new ATOM 0 HE ARG A 113 13.680 -12.853 -3.444 1.00 0.00 H new ATOM 0 HH11 ARG A 113 12.160 -11.051 -6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.875 -12.064 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 113 14.606 -14.161 -5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.264 -13.830 -6.772 1.00 0.00 H new ATOM 1762 N ALA A 114 12.710 -9.147 1.638 1.00 0.00 N ATOM 1763 CA ALA A 114 13.793 -9.151 2.607 1.00 0.00 C ATOM 1764 C ALA A 114 13.236 -8.805 3.989 1.00 0.00 C ATOM 1765 O ALA A 114 13.931 -8.210 4.811 1.00 0.00 O ATOM 1766 CB ALA A 114 14.885 -8.178 2.158 1.00 0.00 C ATOM 0 H ALA A 114 12.172 -8.281 1.604 1.00 0.00 H new ATOM 0 HA ALA A 114 14.246 -10.140 2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.697 -8.182 2.885 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.268 -8.485 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.469 -7.173 2.084 1.00 0.00 H new ATOM 1772 N HIS A 115 11.987 -9.193 4.203 1.00 0.00 N ATOM 1773 CA HIS A 115 11.328 -8.930 5.472 1.00 0.00 C ATOM 1774 C HIS A 115 10.293 -10.022 5.748 1.00 0.00 C ATOM 1775 O HIS A 115 10.208 -10.534 6.863 1.00 0.00 O ATOM 1776 CB HIS A 115 10.727 -7.523 5.491 1.00 0.00 C ATOM 1777 CG HIS A 115 11.194 -6.672 6.646 1.00 0.00 C ATOM 1778 ND1 HIS A 115 12.531 -6.507 6.964 1.00 0.00 N ATOM 1779 CD2 HIS A 115 10.489 -5.938 7.555 1.00 0.00 C ATOM 1780 CE1 HIS A 115 12.615 -5.709 8.018 1.00 0.00 C ATOM 1781 NE2 HIS A 115 11.349 -5.358 8.384 1.00 0.00 N ATOM 0 H HIS A 115 11.414 -9.687 3.519 1.00 0.00 H new ATOM 0 HA HIS A 115 12.060 -8.959 6.279 1.00 0.00 H new ATOM 0 HB2 HIS A 115 10.977 -7.019 4.557 1.00 0.00 H new ATOM 0 HB3 HIS A 115 9.641 -7.603 5.528 1.00 0.00 H new ATOM 0 HD1 HIS A 115 13.318 -6.928 6.471 1.00 0.00 H new ATOM 0 HD2 HIS A 115 9.414 -5.845 7.594 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.527 -5.392 8.503 1.00 0.00 H new ATOM 1790 N CYS A 116 9.532 -10.347 4.713 1.00 0.00 N ATOM 1791 CA CYS A 116 8.505 -11.368 4.831 1.00 0.00 C ATOM 1792 C CYS A 116 9.140 -12.724 4.517 1.00 0.00 C ATOM 1793 O CYS A 116 9.044 -13.657 5.314 1.00 0.00 O ATOM 1794 CB CYS A 116 7.309 -11.075 3.922 1.00 0.00 C ATOM 1795 SG CYS A 116 5.751 -10.697 4.804 1.00 0.00 S ATOM 0 H CYS A 116 9.606 -9.921 3.789 1.00 0.00 H new ATOM 0 HA CYS A 116 8.112 -11.377 5.848 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.559 -10.233 3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.144 -11.935 3.274 1.00 0.00 H new ATOM 1800 N GLN A 117 9.774 -12.792 3.356 1.00 0.00 N ATOM 1801 CA GLN A 117 10.425 -14.019 2.929 1.00 0.00 C ATOM 1802 C GLN A 117 11.521 -14.411 3.920 1.00 0.00 C ATOM 1803 O GLN A 117 12.009 -15.541 3.897 1.00 0.00 O ATOM 1804 CB GLN A 117 10.989 -13.875 1.514 1.00 0.00 C ATOM 1805 CG GLN A 117 10.808 -15.169 0.717 1.00 0.00 C ATOM 1806 CD GLN A 117 9.958 -14.928 -0.532 1.00 0.00 C ATOM 1807 OE1 GLN A 117 10.004 -13.879 -1.153 1.00 0.00 O ATOM 1808 NE2 GLN A 117 9.183 -15.956 -0.865 1.00 0.00 N ATOM 0 H GLN A 117 9.851 -12.017 2.697 1.00 0.00 H new ATOM 0 HA GLN A 117 9.681 -14.815 2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.488 -13.054 1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 117 12.048 -13.620 1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 117 11.783 -15.562 0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 117 10.334 -15.924 1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.193 -16.806 -0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.579 -15.895 -1.684 1.00 0.00 H new ATOM 1817 N ASN A 118 11.877 -13.458 4.768 1.00 0.00 N ATOM 1818 CA ASN A 118 12.908 -13.691 5.766 1.00 0.00 C ATOM 1819 C ASN A 118 12.465 -14.822 6.695 1.00 0.00 C ATOM 1820 O ASN A 118 13.006 -15.925 6.638 1.00 0.00 O ATOM 1821 CB ASN A 118 13.140 -12.441 6.618 1.00 0.00 C ATOM 1822 CG ASN A 118 14.635 -12.140 6.753 1.00 0.00 C ATOM 1823 OD1 ASN A 118 15.323 -11.838 5.793 1.00 0.00 O ATOM 1824 ND2 ASN A 118 15.096 -12.238 7.998 1.00 0.00 N ATOM 0 H ASN A 118 11.470 -12.523 4.785 1.00 0.00 H new ATOM 0 HA ASN A 118 13.830 -13.949 5.246 1.00 0.00 H new ATOM 0 HB2 ASN A 118 12.633 -11.589 6.166 1.00 0.00 H new ATOM 0 HB3 ASN A 118 12.703 -12.584 7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 118 16.080 -12.055 8.193 1.00 0.00 H new ATOM 0 HD22 ASN A 118 14.465 -12.496 8.757 1.00 0.00 H new ATOM 1831 N ARG A 119 11.486 -14.509 7.532 1.00 0.00 N ATOM 1832 CA ARG A 119 10.965 -15.485 8.473 1.00 0.00 C ATOM 1833 C ARG A 119 9.435 -15.451 8.481 1.00 0.00 C ATOM 1834 O ARG A 119 8.819 -14.852 7.600 1.00 0.00 O ATOM 1835 CB ARG A 119 11.482 -15.218 9.887 1.00 0.00 C ATOM 1836 CG ARG A 119 11.648 -16.525 10.666 1.00 0.00 C ATOM 1837 CD ARG A 119 13.038 -16.610 11.302 1.00 0.00 C ATOM 1838 NE ARG A 119 13.142 -17.835 12.126 1.00 0.00 N ATOM 1839 CZ ARG A 119 14.083 -18.036 13.059 1.00 0.00 C ATOM 1840 NH1 ARG A 119 15.005 -17.092 13.292 1.00 0.00 N ATOM 1841 NH2 ARG A 119 14.101 -19.179 13.758 1.00 0.00 N ATOM 0 H ARG A 119 11.040 -13.593 7.578 1.00 0.00 H new ATOM 0 HA ARG A 119 11.308 -16.469 8.153 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.438 -14.697 9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 119 10.789 -14.562 10.414 1.00 0.00 H new ATOM 0 HG2 ARG A 119 10.885 -16.590 11.441 1.00 0.00 H new ATOM 0 HG3 ARG A 119 11.497 -17.373 9.998 1.00 0.00 H new ATOM 0 HD2 ARG A 119 13.803 -16.618 10.525 1.00 0.00 H new ATOM 0 HD3 ARG A 119 13.219 -15.730 11.919 1.00 0.00 H new ATOM 0 HE ARG A 119 12.454 -18.573 11.974 1.00 0.00 H new ATOM 0 HH11 ARG A 119 14.990 -16.222 12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 119 15.722 -17.243 14.002 1.00 0.00 H new ATOM 0 HH21 ARG A 119 13.398 -19.897 13.580 1.00 0.00 H new ATOM 0 HH22 ARG A 119 14.817 -19.331 14.468 1.00 0.00 H new ATOM 1855 N ASP A 120 8.865 -16.100 9.486 1.00 0.00 N ATOM 1856 CA ASP A 120 7.420 -16.150 9.621 1.00 0.00 C ATOM 1857 C ASP A 120 6.910 -14.796 10.119 1.00 0.00 C ATOM 1858 O ASP A 120 7.046 -14.474 11.298 1.00 0.00 O ATOM 1859 CB ASP A 120 6.998 -17.216 10.634 1.00 0.00 C ATOM 1860 CG ASP A 120 5.490 -17.463 10.723 1.00 0.00 C ATOM 1861 OD1 ASP A 120 4.874 -17.605 9.645 1.00 0.00 O ATOM 1862 OD2 ASP A 120 4.989 -17.504 11.867 1.00 0.00 O ATOM 0 H ASP A 120 9.379 -16.596 10.215 1.00 0.00 H new ATOM 0 HA ASP A 120 6.999 -16.393 8.645 1.00 0.00 H new ATOM 0 HB2 ASP A 120 7.490 -18.154 10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.362 -16.924 11.619 1.00 0.00 H new ATOM 1867 N LEU A 121 6.335 -14.040 9.196 1.00 0.00 N ATOM 1868 CA LEU A 121 5.805 -12.729 9.527 1.00 0.00 C ATOM 1869 C LEU A 121 4.295 -12.835 9.749 1.00 0.00 C ATOM 1870 O LEU A 121 3.592 -11.825 9.758 1.00 0.00 O ATOM 1871 CB LEU A 121 6.198 -11.706 8.458 1.00 0.00 C ATOM 1872 CG LEU A 121 6.188 -10.240 8.896 1.00 0.00 C ATOM 1873 CD1 LEU A 121 4.765 -9.678 8.898 1.00 0.00 C ATOM 1874 CD2 LEU A 121 6.876 -10.069 10.253 1.00 0.00 C ATOM 0 H LEU A 121 6.225 -14.310 8.219 1.00 0.00 H new ATOM 0 HA LEU A 121 6.241 -12.367 10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.198 -11.951 8.100 1.00 0.00 H new ATOM 0 HB3 LEU A 121 5.520 -11.816 7.611 1.00 0.00 H new ATOM 0 HG LEU A 121 6.760 -9.662 8.170 1.00 0.00 H new ATOM 0 HD11 LEU A 121 4.786 -8.635 9.213 1.00 0.00 H new ATOM 0 HD12 LEU A 121 4.346 -9.745 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 121 4.148 -10.253 9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.855 -9.018 10.542 1.00 0.00 H new ATOM 0 HD22 LEU A 121 6.353 -10.662 11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 121 7.910 -10.405 10.181 1.00 0.00 H new ATOM 1886 N SER A 122 3.841 -14.067 9.925 1.00 0.00 N ATOM 1887 CA SER A 122 2.426 -14.318 10.147 1.00 0.00 C ATOM 1888 C SER A 122 2.079 -14.088 11.620 1.00 0.00 C ATOM 1889 O SER A 122 0.908 -13.954 11.972 1.00 0.00 O ATOM 1890 CB SER A 122 2.047 -15.740 9.729 1.00 0.00 C ATOM 1891 OG SER A 122 0.677 -16.027 9.994 1.00 0.00 O ATOM 0 H SER A 122 4.427 -14.902 9.919 1.00 0.00 H new ATOM 0 HA SER A 122 1.854 -13.623 9.532 1.00 0.00 H new ATOM 0 HB2 SER A 122 2.245 -15.870 8.665 1.00 0.00 H new ATOM 0 HB3 SER A 122 2.676 -16.454 10.260 1.00 0.00 H new ATOM 0 HG SER A 122 0.357 -15.453 10.722 1.00 0.00 H new ATOM 1897 N GLN A 123 3.119 -14.051 12.440 1.00 0.00 N ATOM 1898 CA GLN A 123 2.939 -13.840 13.867 1.00 0.00 C ATOM 1899 C GLN A 123 2.534 -12.390 14.142 1.00 0.00 C ATOM 1900 O GLN A 123 2.043 -12.074 15.225 1.00 0.00 O ATOM 1901 CB GLN A 123 4.205 -14.212 14.641 1.00 0.00 C ATOM 1902 CG GLN A 123 3.957 -14.174 16.150 1.00 0.00 C ATOM 1903 CD GLN A 123 3.990 -15.581 16.747 1.00 0.00 C ATOM 1904 OE1 GLN A 123 4.977 -16.294 16.666 1.00 0.00 O ATOM 1905 NE2 GLN A 123 2.861 -15.941 17.349 1.00 0.00 N ATOM 0 H GLN A 123 4.089 -14.163 12.144 1.00 0.00 H new ATOM 0 HA GLN A 123 2.137 -14.493 14.213 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.535 -15.209 14.348 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.009 -13.522 14.384 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.713 -13.553 16.631 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.990 -13.712 16.352 1.00 0.00 H new ATOM 0 HE21 GLN A 123 2.072 -15.296 17.381 1.00 0.00 H new ATOM 0 HE22 GLN A 123 2.784 -16.863 17.779 1.00 0.00 H new ATOM 1914 N TYR A 124 2.756 -11.547 13.144 1.00 0.00 N ATOM 1915 CA TYR A 124 2.420 -10.139 13.265 1.00 0.00 C ATOM 1916 C TYR A 124 0.920 -9.913 13.061 1.00 0.00 C ATOM 1917 O TYR A 124 0.347 -8.986 13.629 1.00 0.00 O ATOM 1918 CB TYR A 124 3.188 -9.426 12.150 1.00 0.00 C ATOM 1919 CG TYR A 124 3.754 -8.064 12.557 1.00 0.00 C ATOM 1920 CD1 TYR A 124 4.709 -7.983 13.550 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.310 -6.917 11.932 1.00 0.00 C ATOM 1922 CE1 TYR A 124 5.242 -6.701 13.934 1.00 0.00 C ATOM 1923 CE2 TYR A 124 3.844 -5.636 12.315 1.00 0.00 C ATOM 1924 CZ TYR A 124 4.782 -5.591 13.297 1.00 0.00 C ATOM 1925 OH TYR A 124 5.287 -4.380 13.659 1.00 0.00 O ATOM 0 H TYR A 124 3.165 -11.812 12.248 1.00 0.00 H new ATOM 0 HA TYR A 124 2.679 -9.766 14.256 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.008 -10.065 11.821 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.526 -9.292 11.295 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.057 -8.881 14.039 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.562 -6.980 11.156 1.00 0.00 H new ATOM 0 HE1 TYR A 124 5.989 -6.623 14.710 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.506 -4.731 11.832 1.00 0.00 H new ATOM 0 HH TYR A 124 4.868 -3.677 13.120 1.00 0.00 H new ATOM 1935 N ILE A 125 0.330 -10.777 12.249 1.00 0.00 N ATOM 1936 CA ILE A 125 -1.092 -10.683 11.962 1.00 0.00 C ATOM 1937 C ILE A 125 -1.852 -11.674 12.847 1.00 0.00 C ATOM 1938 O ILE A 125 -3.021 -11.461 13.161 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.351 -10.870 10.467 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.936 -12.270 10.008 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.665 -9.773 9.650 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -2.076 -12.961 9.256 1.00 0.00 C ATOM 0 H ILE A 125 0.810 -11.545 11.781 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.465 -9.687 12.203 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.423 -10.779 10.293 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.060 -12.200 9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.649 -12.870 10.872 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.865 -9.930 8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.051 -8.799 9.952 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.410 -9.808 9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.755 -13.954 8.941 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.942 -13.051 9.911 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.344 -12.371 8.379 1.00 0.00 H new ATOM 1954 N ARG A 126 -1.156 -12.737 13.222 1.00 0.00 N ATOM 1955 CA ARG A 126 -1.750 -13.762 14.065 1.00 0.00 C ATOM 1956 C ARG A 126 -1.776 -13.301 15.523 1.00 0.00 C ATOM 1957 O ARG A 126 -0.737 -12.971 16.092 1.00 0.00 O ATOM 1958 CB ARG A 126 -0.973 -15.076 13.965 1.00 0.00 C ATOM 1959 CG ARG A 126 -1.766 -16.230 14.581 1.00 0.00 C ATOM 1960 CD ARG A 126 -0.865 -17.113 15.446 1.00 0.00 C ATOM 1961 NE ARG A 126 -1.691 -18.003 16.293 1.00 0.00 N ATOM 1962 CZ ARG A 126 -1.200 -19.009 17.029 1.00 0.00 C ATOM 1963 NH1 ARG A 126 0.116 -19.260 17.028 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -2.025 -19.764 17.768 1.00 0.00 N ATOM 0 H ARG A 126 -0.186 -12.911 12.958 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.769 -13.929 13.716 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.757 -15.296 12.920 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.015 -14.976 14.475 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.582 -15.834 15.186 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.217 -16.829 13.790 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -0.208 -17.708 14.812 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.226 -16.491 16.073 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.698 -17.840 16.318 1.00 0.00 H new ATOM 0 HH11 ARG A 126 0.744 -18.685 16.467 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.490 -20.026 17.588 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.027 -19.573 17.770 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -1.651 -20.530 18.328 1.00 0.00 H new ATOM 1978 N ASN A 127 -2.976 -13.293 16.086 1.00 0.00 N ATOM 1979 CA ASN A 127 -3.151 -12.879 17.468 1.00 0.00 C ATOM 1980 C ASN A 127 -3.028 -11.357 17.559 1.00 0.00 C ATOM 1981 O ASN A 127 -2.687 -10.820 18.611 1.00 0.00 O ATOM 1982 CB ASN A 127 -2.076 -13.494 18.368 1.00 0.00 C ATOM 1983 CG ASN A 127 -2.504 -13.454 19.836 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -3.454 -14.097 20.251 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -1.750 -12.665 20.598 1.00 0.00 N ATOM 0 H ASN A 127 -3.836 -13.566 15.610 1.00 0.00 H new ATOM 0 HA ASN A 127 -4.134 -13.215 17.798 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -1.891 -14.525 18.067 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -1.138 -12.952 18.244 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -1.953 -12.571 21.593 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -0.969 -12.154 20.187 1.00 0.00 H new ATOM 1992 N CYS A 128 -3.313 -10.705 16.441 1.00 0.00 N ATOM 1993 CA CYS A 128 -3.239 -9.255 16.381 1.00 0.00 C ATOM 1994 C CYS A 128 -4.537 -8.683 16.956 1.00 0.00 C ATOM 1995 O CYS A 128 -4.532 -7.618 17.572 1.00 0.00 O ATOM 1996 CB CYS A 128 -2.980 -8.760 14.956 1.00 0.00 C ATOM 1997 SG CYS A 128 -1.776 -7.388 14.828 1.00 0.00 S ATOM 0 H CYS A 128 -3.595 -11.154 15.570 1.00 0.00 H new ATOM 0 HA CYS A 128 -2.395 -8.907 16.976 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.622 -9.596 14.355 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.926 -8.437 14.521 1.00 0.00 H new ATOM 2002 N GLY A 129 -5.618 -9.417 16.736 1.00 0.00 N ATOM 2003 CA GLY A 129 -6.920 -8.996 17.224 1.00 0.00 C ATOM 2004 C GLY A 129 -7.875 -8.708 16.063 1.00 0.00 C ATOM 2005 O GLY A 129 -8.689 -7.789 16.138 1.00 0.00 O ATOM 0 H GLY A 129 -5.619 -10.301 16.226 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -7.342 -9.773 17.862 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -6.810 -8.103 17.839 1.00 0.00 H new ATOM 2009 N VAL A 130 -7.744 -9.511 15.018 1.00 0.00 N ATOM 2010 CA VAL A 130 -8.584 -9.354 13.844 1.00 0.00 C ATOM 2011 C VAL A 130 -9.851 -10.196 14.012 1.00 0.00 C ATOM 2012 O VAL A 130 -9.813 -11.269 14.614 1.00 0.00 O ATOM 2013 CB VAL A 130 -7.794 -9.710 12.583 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -8.733 -10.028 11.418 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -6.820 -8.589 12.212 1.00 0.00 C ATOM 0 H VAL A 130 -7.068 -10.273 14.960 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.895 -8.315 13.734 1.00 0.00 H new ATOM 0 HB VAL A 130 -7.210 -10.605 12.796 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -8.145 -10.278 10.535 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.368 -10.874 11.683 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -9.356 -9.159 11.206 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.271 -8.867 11.312 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -7.376 -7.670 12.028 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.118 -8.431 13.031 1.00 0.00 H new TER 2025 VAL A 130