USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1015 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 74 ASN : amide:sc= -0.0666 X(o=-1.1,f=-1.3!) USER MOD Set 1.2: A 76 ASN :FLIP amide:sc= -0.988 X(o=-1.3,f=-1.1) USER MOD Set 2.1: A 60 MET CE :methyl 173:sc= 0 (180deg=-0.028) USER MOD Set 2.2: A 111 MET CE :methyl 168:sc= -0.357 (180deg=-0.695) USER MOD Set 3.1: A 43 GLN : amide:sc= -0.677 K(o=-0.81,f=-2.2!) USER MOD Set 3.2: A 77 GLN : amide:sc= -0.381 K(o=-0.81,f=-3.7!) USER MOD Set 3.3: A 115 SER OG : rot -54:sc= 0.249 USER MOD Set 4.1: A 26 GLN : amide:sc= -0.197 K(o=-1.8,f=-2.5!) USER MOD Set 4.2: A 27 HIS : no HD1:sc= -1.57! K(o=-1.8!,f=-2.5) USER MOD Set 5.1: A 6 THR OG1 : rot 30:sc= 0.306 USER MOD Set 5.2: A 9 GLN : amide:sc= 0 X(o=0.31,f=0.26) USER MOD Set 6.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 110 TYR OH : rot 180:sc=-0.000144 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.219 K(o=0.22,f=-0.38) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.04) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.12) USER MOD Single : A 57 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.58) USER MOD Single : A 59 ASN :FLIP amide:sc= 0.159 F(o=-1.8!,f=0.16) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0.781 K(o=0.78,f=-1.4!) USER MOD Single : A 86 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 87 SER OG : rot 27:sc= 0.0142 USER MOD Single : A 88 MET CE :methyl -168:sc= -0.0725 (180deg=-0.227) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot -42:sc= 1.29 USER MOD Single : A 101 SER OG : rot -83:sc= 1.2 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 170:sc= 0.504 USER MOD Single : A 116 GLN : amide:sc= 0.942 K(o=0.94,f=-1.1) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N THR A 6 -6.156 -11.927 -4.999 1.00 41.53 N ATOM 65 CA THR A 6 -5.555 -10.602 -4.880 1.00 12.14 C ATOM 66 C THR A 6 -6.686 -9.544 -4.924 1.00 3.31 C ATOM 67 O THR A 6 -7.799 -9.837 -5.383 1.00 43.14 O ATOM 68 CB THR A 6 -4.576 -10.488 -6.067 1.00 3.34 C ATOM 69 OG1 THR A 6 -3.699 -11.599 -6.083 1.00 3.45 O ATOM 70 CG2 THR A 6 -3.730 -9.226 -6.190 1.00 13.51 C ATOM 0 HA THR A 6 -5.016 -10.442 -3.946 1.00 12.14 H new ATOM 0 HB THR A 6 -5.255 -10.449 -6.919 1.00 3.34 H new ATOM 0 HG1 THR A 6 -4.152 -12.379 -5.700 1.00 3.45 H new ATOM 0 HG21 THR A 6 -3.095 -9.298 -7.073 1.00 13.51 H new ATOM 0 HG22 THR A 6 -4.383 -8.358 -6.282 1.00 13.51 H new ATOM 0 HG23 THR A 6 -3.106 -9.118 -5.303 1.00 13.51 H new ATOM 78 N PHE A 7 -6.411 -8.288 -4.556 1.00 63.32 N ATOM 79 CA PHE A 7 -7.401 -7.204 -4.552 1.00 14.43 C ATOM 80 C PHE A 7 -8.132 -7.104 -5.896 1.00 43.13 C ATOM 81 O PHE A 7 -9.357 -7.162 -5.931 1.00 71.43 O ATOM 82 CB PHE A 7 -6.775 -5.871 -4.107 1.00 4.15 C ATOM 83 CG PHE A 7 -5.922 -5.177 -5.154 1.00 21.12 C ATOM 84 CD1 PHE A 7 -4.613 -5.626 -5.418 1.00 42.22 C ATOM 85 CD2 PHE A 7 -6.455 -4.104 -5.897 1.00 35.13 C ATOM 86 CE1 PHE A 7 -3.854 -5.036 -6.442 1.00 15.21 C ATOM 87 CE2 PHE A 7 -5.685 -3.493 -6.900 1.00 64.12 C ATOM 88 CZ PHE A 7 -4.395 -3.971 -7.182 1.00 43.20 C ATOM 0 H PHE A 7 -5.485 -7.992 -4.249 1.00 63.32 H new ATOM 0 HA PHE A 7 -8.161 -7.447 -3.810 1.00 14.43 H new ATOM 0 HB2 PHE A 7 -7.575 -5.195 -3.806 1.00 4.15 H new ATOM 0 HB3 PHE A 7 -6.162 -6.052 -3.224 1.00 4.15 H new ATOM 0 HD1 PHE A 7 -4.191 -6.428 -4.830 1.00 42.22 H new ATOM 0 HD2 PHE A 7 -7.456 -3.752 -5.695 1.00 35.13 H new ATOM 0 HE1 PHE A 7 -2.860 -5.399 -6.659 1.00 15.21 H new ATOM 0 HE2 PHE A 7 -6.085 -2.656 -7.454 1.00 64.12 H new ATOM 0 HZ PHE A 7 -3.815 -3.517 -7.972 1.00 43.20 H new ATOM 98 N LYS A 8 -7.397 -7.069 -7.017 1.00 1.11 N ATOM 99 CA LYS A 8 -8.015 -6.990 -8.341 1.00 23.05 C ATOM 100 C LYS A 8 -8.863 -8.219 -8.686 1.00 63.03 C ATOM 101 O LYS A 8 -9.716 -8.142 -9.559 1.00 24.31 O ATOM 102 CB LYS A 8 -6.977 -6.690 -9.424 1.00 41.20 C ATOM 103 CG LYS A 8 -5.838 -7.714 -9.512 1.00 72.40 C ATOM 104 CD LYS A 8 -5.102 -7.584 -10.845 1.00 75.43 C ATOM 105 CE LYS A 8 -4.388 -6.235 -10.998 1.00 42.22 C ATOM 106 NZ LYS A 8 -3.749 -6.107 -12.321 1.00 12.24 N ATOM 0 H LYS A 8 -6.377 -7.094 -7.030 1.00 1.11 H new ATOM 0 HA LYS A 8 -8.711 -6.152 -8.305 1.00 23.05 H new ATOM 0 HB2 LYS A 8 -7.481 -6.641 -10.389 1.00 41.20 H new ATOM 0 HB3 LYS A 8 -6.550 -5.705 -9.238 1.00 41.20 H new ATOM 0 HG2 LYS A 8 -5.140 -7.562 -8.688 1.00 72.40 H new ATOM 0 HG3 LYS A 8 -6.239 -8.722 -9.408 1.00 72.40 H new ATOM 0 HD2 LYS A 8 -4.372 -8.389 -10.932 1.00 75.43 H new ATOM 0 HD3 LYS A 8 -5.813 -7.709 -11.662 1.00 75.43 H new ATOM 0 HE2 LYS A 8 -5.105 -5.425 -10.859 1.00 42.22 H new ATOM 0 HE3 LYS A 8 -3.634 -6.131 -10.217 1.00 42.22 H new ATOM 0 HZ1 LYS A 8 -3.276 -5.183 -12.390 1.00 12.24 H new ATOM 0 HZ2 LYS A 8 -3.048 -6.865 -12.443 1.00 12.24 H new ATOM 0 HZ3 LYS A 8 -4.472 -6.182 -13.065 1.00 12.24 H new ATOM 120 N GLN A 9 -8.621 -9.379 -8.069 1.00 21.31 N ATOM 121 CA GLN A 9 -9.436 -10.558 -8.345 1.00 53.50 C ATOM 122 C GLN A 9 -10.784 -10.344 -7.647 1.00 32.24 C ATOM 123 O GLN A 9 -11.833 -10.600 -8.234 1.00 71.22 O ATOM 124 CB GLN A 9 -8.788 -11.856 -7.861 1.00 53.10 C ATOM 125 CG GLN A 9 -7.635 -12.298 -8.767 1.00 24.24 C ATOM 126 CD GLN A 9 -6.976 -13.532 -8.166 1.00 15.21 C ATOM 127 OE1 GLN A 9 -7.605 -14.563 -7.973 1.00 1.51 O ATOM 128 NE2 GLN A 9 -5.723 -13.423 -7.768 1.00 75.32 N ATOM 0 H GLN A 9 -7.878 -9.523 -7.385 1.00 21.31 H new ATOM 0 HA GLN A 9 -9.551 -10.669 -9.423 1.00 53.50 H new ATOM 0 HB2 GLN A 9 -8.418 -11.719 -6.845 1.00 53.10 H new ATOM 0 HB3 GLN A 9 -9.540 -12.644 -7.822 1.00 53.10 H new ATOM 0 HG2 GLN A 9 -8.006 -12.519 -9.768 1.00 24.24 H new ATOM 0 HG3 GLN A 9 -6.906 -11.494 -8.868 1.00 24.24 H new ATOM 0 HE21 GLN A 9 -5.208 -12.558 -7.934 1.00 75.32 H new ATOM 0 HE22 GLN A 9 -5.269 -14.204 -7.294 1.00 75.32 H new ATOM 137 N ARG A 10 -10.766 -9.854 -6.392 1.00 60.12 N ATOM 138 CA ARG A 10 -12.009 -9.614 -5.647 1.00 41.52 C ATOM 139 C ARG A 10 -12.739 -8.347 -6.121 1.00 55.54 C ATOM 140 O ARG A 10 -13.905 -8.169 -5.767 1.00 2.43 O ATOM 141 CB ARG A 10 -11.783 -9.623 -4.114 1.00 51.10 C ATOM 142 CG ARG A 10 -10.877 -8.515 -3.550 1.00 53.41 C ATOM 143 CD ARG A 10 -11.103 -8.219 -2.056 1.00 62.00 C ATOM 144 NE ARG A 10 -10.163 -8.933 -1.174 1.00 40.30 N ATOM 145 CZ ARG A 10 -10.124 -8.819 0.162 1.00 24.24 C ATOM 146 NH1 ARG A 10 -11.056 -8.164 0.838 1.00 4.35 N ATOM 147 NH2 ARG A 10 -9.116 -9.361 0.833 1.00 14.41 N ATOM 0 H ARG A 10 -9.914 -9.620 -5.882 1.00 60.12 H new ATOM 0 HA ARG A 10 -12.670 -10.452 -5.869 1.00 41.52 H new ATOM 0 HB2 ARG A 10 -12.755 -9.552 -3.625 1.00 51.10 H new ATOM 0 HB3 ARG A 10 -11.357 -10.587 -3.837 1.00 51.10 H new ATOM 0 HG2 ARG A 10 -9.836 -8.801 -3.700 1.00 53.41 H new ATOM 0 HG3 ARG A 10 -11.042 -7.600 -4.120 1.00 53.41 H new ATOM 0 HD2 ARG A 10 -11.007 -7.147 -1.886 1.00 62.00 H new ATOM 0 HD3 ARG A 10 -12.123 -8.494 -1.788 1.00 62.00 H new ATOM 0 HE ARG A 10 -9.491 -9.562 -1.613 1.00 40.30 H new ATOM 0 HH11 ARG A 10 -11.833 -7.727 0.343 1.00 4.35 H new ATOM 0 HH12 ARG A 10 -10.996 -8.096 1.854 1.00 4.35 H new ATOM 0 HH21 ARG A 10 -8.380 -9.859 0.333 1.00 14.41 H new ATOM 0 HH22 ARG A 10 -9.077 -9.280 1.849 1.00 14.41 H new ATOM 161 N ARG A 11 -12.093 -7.453 -6.884 1.00 43.31 N ATOM 162 CA ARG A 11 -12.677 -6.217 -7.409 1.00 3.23 C ATOM 163 C ARG A 11 -12.188 -5.978 -8.838 1.00 64.34 C ATOM 164 O ARG A 11 -11.026 -5.614 -9.058 1.00 15.33 O ATOM 165 CB ARG A 11 -12.361 -4.997 -6.517 1.00 71.14 C ATOM 166 CG ARG A 11 -13.364 -4.785 -5.373 1.00 20.24 C ATOM 167 CD ARG A 11 -13.014 -5.519 -4.083 1.00 63.33 C ATOM 168 NE ARG A 11 -14.033 -5.298 -3.060 1.00 75.32 N ATOM 169 CZ ARG A 11 -15.056 -6.093 -2.727 1.00 43.44 C ATOM 170 NH1 ARG A 11 -15.393 -7.153 -3.460 1.00 13.21 N ATOM 171 NH2 ARG A 11 -15.717 -5.812 -1.614 1.00 4.45 N ATOM 0 H ARG A 11 -11.119 -7.577 -7.160 1.00 43.31 H new ATOM 0 HA ARG A 11 -13.760 -6.337 -7.411 1.00 3.23 H new ATOM 0 HB2 ARG A 11 -11.363 -5.117 -6.095 1.00 71.14 H new ATOM 0 HB3 ARG A 11 -12.339 -4.101 -7.138 1.00 71.14 H new ATOM 0 HG2 ARG A 11 -13.435 -3.718 -5.162 1.00 20.24 H new ATOM 0 HG3 ARG A 11 -14.350 -5.110 -5.706 1.00 20.24 H new ATOM 0 HD2 ARG A 11 -12.920 -6.586 -4.282 1.00 63.33 H new ATOM 0 HD3 ARG A 11 -12.046 -5.176 -3.717 1.00 63.33 H new ATOM 0 HE ARG A 11 -13.955 -4.428 -2.533 1.00 75.32 H new ATOM 0 HH11 ARG A 11 -14.865 -7.379 -4.303 1.00 13.21 H new ATOM 0 HH12 ARG A 11 -16.179 -7.739 -3.178 1.00 13.21 H new ATOM 0 HH21 ARG A 11 -15.440 -5.013 -1.044 1.00 4.45 H new ATOM 0 HH22 ARG A 11 -16.503 -6.395 -1.327 1.00 4.45 H new ATOM 185 N THR A 12 -13.095 -6.157 -9.796 1.00 11.31 N ATOM 186 CA THR A 12 -12.885 -5.983 -11.226 1.00 72.02 C ATOM 187 C THR A 12 -12.437 -4.549 -11.546 1.00 11.41 C ATOM 188 O THR A 12 -12.473 -3.688 -10.672 1.00 42.40 O ATOM 189 CB THR A 12 -14.171 -6.416 -11.955 1.00 61.02 C ATOM 190 OG1 THR A 12 -13.918 -6.730 -13.311 1.00 14.51 O ATOM 191 CG2 THR A 12 -15.305 -5.390 -11.890 1.00 61.01 C ATOM 0 H THR A 12 -14.050 -6.444 -9.579 1.00 11.31 H new ATOM 0 HA THR A 12 -12.071 -6.614 -11.582 1.00 72.02 H new ATOM 0 HB THR A 12 -14.503 -7.304 -11.416 1.00 61.02 H new ATOM 0 HG1 THR A 12 -14.753 -7.003 -13.745 1.00 14.51 H new ATOM 0 HG21 THR A 12 -16.173 -5.772 -12.427 1.00 61.01 H new ATOM 0 HG22 THR A 12 -15.573 -5.210 -10.849 1.00 61.01 H new ATOM 0 HG23 THR A 12 -14.978 -4.456 -12.347 1.00 61.01 H new ATOM 199 N PHE A 13 -12.005 -4.271 -12.782 1.00 41.11 N ATOM 200 CA PHE A 13 -11.552 -2.938 -13.185 1.00 54.20 C ATOM 201 C PHE A 13 -12.599 -1.868 -12.863 1.00 33.01 C ATOM 202 O PHE A 13 -12.250 -0.865 -12.248 1.00 73.01 O ATOM 203 CB PHE A 13 -11.165 -2.900 -14.666 1.00 54.10 C ATOM 204 CG PHE A 13 -10.374 -1.657 -15.035 1.00 35.11 C ATOM 205 CD1 PHE A 13 -11.042 -0.478 -15.420 1.00 4.53 C ATOM 206 CD2 PHE A 13 -8.967 -1.667 -14.960 1.00 75.44 C ATOM 207 CE1 PHE A 13 -10.305 0.673 -15.750 1.00 43.32 C ATOM 208 CE2 PHE A 13 -8.233 -0.510 -15.277 1.00 32.14 C ATOM 209 CZ PHE A 13 -8.901 0.660 -15.680 1.00 20.23 C ATOM 0 H PHE A 13 -11.960 -4.964 -13.529 1.00 41.11 H new ATOM 0 HA PHE A 13 -10.658 -2.713 -12.603 1.00 54.20 H new ATOM 0 HB2 PHE A 13 -10.575 -3.785 -14.906 1.00 54.10 H new ATOM 0 HB3 PHE A 13 -12.068 -2.944 -15.274 1.00 54.10 H new ATOM 0 HD1 PHE A 13 -12.121 -0.458 -15.462 1.00 4.53 H new ATOM 0 HD2 PHE A 13 -8.451 -2.566 -14.658 1.00 75.44 H new ATOM 0 HE1 PHE A 13 -10.820 1.571 -16.059 1.00 43.32 H new ATOM 0 HE2 PHE A 13 -7.155 -0.520 -15.211 1.00 32.14 H new ATOM 0 HZ PHE A 13 -8.337 1.545 -15.935 1.00 20.23 H new ATOM 219 N GLU A 14 -13.877 -2.115 -13.177 1.00 3.34 N ATOM 220 CA GLU A 14 -14.970 -1.174 -12.914 1.00 32.24 C ATOM 221 C GLU A 14 -15.016 -0.862 -11.422 1.00 52.41 C ATOM 222 O GLU A 14 -14.963 0.291 -11.004 1.00 13.23 O ATOM 223 CB GLU A 14 -16.325 -1.742 -13.380 1.00 72.23 C ATOM 224 CG GLU A 14 -16.337 -2.192 -14.844 1.00 74.41 C ATOM 225 CD GLU A 14 -15.788 -1.105 -15.764 1.00 64.24 C ATOM 226 OE1 GLU A 14 -16.578 -0.245 -16.216 1.00 0.25 O ATOM 227 OE2 GLU A 14 -14.570 -1.149 -16.046 1.00 75.40 O ATOM 0 H GLU A 14 -14.182 -2.980 -13.624 1.00 3.34 H new ATOM 0 HA GLU A 14 -14.784 -0.260 -13.478 1.00 32.24 H new ATOM 0 HB2 GLU A 14 -16.590 -2.589 -12.747 1.00 72.23 H new ATOM 0 HB3 GLU A 14 -17.095 -0.984 -13.237 1.00 72.23 H new ATOM 0 HG2 GLU A 14 -15.741 -3.098 -14.953 1.00 74.41 H new ATOM 0 HG3 GLU A 14 -17.355 -2.442 -15.141 1.00 74.41 H new ATOM 234 N GLN A 15 -15.058 -1.908 -10.599 1.00 51.40 N ATOM 235 CA GLN A 15 -15.092 -1.746 -9.162 1.00 21.15 C ATOM 236 C GLN A 15 -13.815 -1.064 -8.663 1.00 14.45 C ATOM 237 O GLN A 15 -13.836 -0.425 -7.621 1.00 23.33 O ATOM 238 CB GLN A 15 -15.357 -3.096 -8.482 1.00 0.21 C ATOM 239 CG GLN A 15 -15.750 -2.942 -7.007 1.00 4.33 C ATOM 240 CD GLN A 15 -16.958 -2.032 -6.804 1.00 24.04 C ATOM 241 OE1 GLN A 15 -18.026 -2.290 -7.358 1.00 34.43 O ATOM 242 NE2 GLN A 15 -16.815 -0.951 -6.056 1.00 71.20 N ATOM 0 H GLN A 15 -15.069 -2.878 -10.913 1.00 51.40 H new ATOM 0 HA GLN A 15 -15.917 -1.088 -8.891 1.00 21.15 H new ATOM 0 HB2 GLN A 15 -16.152 -3.618 -9.014 1.00 0.21 H new ATOM 0 HB3 GLN A 15 -14.464 -3.717 -8.554 1.00 0.21 H new ATOM 0 HG2 GLN A 15 -15.969 -3.925 -6.590 1.00 4.33 H new ATOM 0 HG3 GLN A 15 -14.903 -2.541 -6.451 1.00 4.33 H new ATOM 0 HE21 GLN A 15 -15.920 -0.757 -5.606 1.00 71.20 H new ATOM 0 HE22 GLN A 15 -17.599 -0.311 -5.929 1.00 71.20 H new ATOM 251 N ARG A 16 -12.670 -1.239 -9.326 1.00 55.53 N ATOM 252 CA ARG A 16 -11.419 -0.619 -8.923 1.00 14.53 C ATOM 253 C ARG A 16 -11.533 0.873 -9.160 1.00 35.11 C ATOM 254 O ARG A 16 -11.255 1.617 -8.228 1.00 11.53 O ATOM 255 CB ARG A 16 -10.214 -1.249 -9.639 1.00 23.41 C ATOM 256 CG ARG A 16 -9.675 -2.419 -8.807 1.00 22.02 C ATOM 257 CD ARG A 16 -8.468 -3.088 -9.450 1.00 63.23 C ATOM 258 NE ARG A 16 -8.824 -4.022 -10.525 1.00 63.10 N ATOM 259 CZ ARG A 16 -8.094 -4.210 -11.635 1.00 44.21 C ATOM 260 NH1 ARG A 16 -6.951 -3.560 -11.851 1.00 20.35 N ATOM 261 NH2 ARG A 16 -8.503 -5.087 -12.535 1.00 63.03 N ATOM 0 H ARG A 16 -12.591 -1.819 -10.161 1.00 55.53 H new ATOM 0 HA ARG A 16 -11.240 -0.794 -7.862 1.00 14.53 H new ATOM 0 HB2 ARG A 16 -10.508 -1.599 -10.629 1.00 23.41 H new ATOM 0 HB3 ARG A 16 -9.433 -0.502 -9.784 1.00 23.41 H new ATOM 0 HG2 ARG A 16 -9.401 -2.059 -7.815 1.00 22.02 H new ATOM 0 HG3 ARG A 16 -10.465 -3.157 -8.671 1.00 22.02 H new ATOM 0 HD2 ARG A 16 -7.806 -2.320 -9.850 1.00 63.23 H new ATOM 0 HD3 ARG A 16 -7.908 -3.624 -8.684 1.00 63.23 H new ATOM 0 HE ARG A 16 -9.682 -4.563 -10.421 1.00 63.10 H new ATOM 0 HH11 ARG A 16 -6.605 -2.894 -11.160 1.00 20.35 H new ATOM 0 HH12 ARG A 16 -6.422 -3.728 -12.707 1.00 20.35 H new ATOM 0 HH21 ARG A 16 -9.364 -5.611 -12.381 1.00 63.03 H new ATOM 0 HH22 ARG A 16 -7.957 -5.239 -13.383 1.00 63.03 H new ATOM 275 N VAL A 17 -11.935 1.331 -10.345 1.00 55.11 N ATOM 276 CA VAL A 17 -12.068 2.768 -10.576 1.00 33.41 C ATOM 277 C VAL A 17 -13.109 3.340 -9.596 1.00 61.32 C ATOM 278 O VAL A 17 -12.890 4.402 -9.012 1.00 2.43 O ATOM 279 CB VAL A 17 -12.318 3.079 -12.069 1.00 32.02 C ATOM 280 CG1 VAL A 17 -13.516 2.387 -12.729 1.00 20.32 C ATOM 281 CG2 VAL A 17 -12.477 4.582 -12.283 1.00 13.44 C ATOM 0 H VAL A 17 -12.170 0.742 -11.144 1.00 55.11 H new ATOM 0 HA VAL A 17 -11.132 3.283 -10.361 1.00 33.41 H new ATOM 0 HB VAL A 17 -11.431 2.672 -12.554 1.00 32.02 H new ATOM 0 HG11 VAL A 17 -13.580 2.689 -13.774 1.00 20.32 H new ATOM 0 HG12 VAL A 17 -13.389 1.306 -12.671 1.00 20.32 H new ATOM 0 HG13 VAL A 17 -14.432 2.673 -12.212 1.00 20.32 H new ATOM 0 HG21 VAL A 17 -12.652 4.782 -13.340 1.00 13.44 H new ATOM 0 HG22 VAL A 17 -13.323 4.945 -11.700 1.00 13.44 H new ATOM 0 HG23 VAL A 17 -11.569 5.093 -11.962 1.00 13.44 H new ATOM 291 N GLU A 18 -14.213 2.625 -9.358 1.00 32.45 N ATOM 292 CA GLU A 18 -15.255 3.051 -8.430 1.00 40.12 C ATOM 293 C GLU A 18 -14.717 3.088 -6.991 1.00 60.22 C ATOM 294 O GLU A 18 -15.080 3.978 -6.225 1.00 72.02 O ATOM 295 CB GLU A 18 -16.491 2.155 -8.571 1.00 12.33 C ATOM 296 CG GLU A 18 -17.210 2.455 -9.897 1.00 63.13 C ATOM 297 CD GLU A 18 -18.371 1.507 -10.203 1.00 42.52 C ATOM 298 OE1 GLU A 18 -18.614 0.542 -9.443 1.00 22.12 O ATOM 299 OE2 GLU A 18 -19.062 1.738 -11.226 1.00 33.44 O ATOM 0 H GLU A 18 -14.406 1.730 -9.808 1.00 32.45 H new ATOM 0 HA GLU A 18 -15.563 4.067 -8.678 1.00 40.12 H new ATOM 0 HB2 GLU A 18 -16.196 1.106 -8.537 1.00 12.33 H new ATOM 0 HB3 GLU A 18 -17.169 2.322 -7.734 1.00 12.33 H new ATOM 0 HG2 GLU A 18 -17.586 3.478 -9.871 1.00 63.13 H new ATOM 0 HG3 GLU A 18 -16.487 2.402 -10.711 1.00 63.13 H new ATOM 306 N ASP A 19 -13.818 2.172 -6.618 1.00 33.12 N ATOM 307 CA ASP A 19 -13.221 2.127 -5.283 1.00 0.43 C ATOM 308 C ASP A 19 -12.308 3.348 -5.137 1.00 55.23 C ATOM 309 O ASP A 19 -12.202 3.924 -4.057 1.00 51.42 O ATOM 310 CB ASP A 19 -12.342 0.882 -5.048 1.00 60.11 C ATOM 311 CG ASP A 19 -13.023 -0.458 -4.752 1.00 44.11 C ATOM 312 OD1 ASP A 19 -14.256 -0.560 -4.560 1.00 11.44 O ATOM 313 OD2 ASP A 19 -12.237 -1.435 -4.652 1.00 61.12 O ATOM 0 H ASP A 19 -13.483 1.436 -7.240 1.00 33.12 H new ATOM 0 HA ASP A 19 -14.040 2.105 -4.565 1.00 0.43 H new ATOM 0 HB2 ASP A 19 -11.718 0.747 -5.932 1.00 60.11 H new ATOM 0 HB3 ASP A 19 -11.673 1.103 -4.216 1.00 60.11 H new ATOM 318 N VAL A 20 -11.588 3.731 -6.199 1.00 72.00 N ATOM 319 CA VAL A 20 -10.696 4.886 -6.177 1.00 31.43 C ATOM 320 C VAL A 20 -11.497 6.157 -5.956 1.00 42.14 C ATOM 321 O VAL A 20 -11.244 6.842 -4.965 1.00 61.32 O ATOM 322 CB VAL A 20 -9.753 4.937 -7.395 1.00 43.14 C ATOM 323 CG1 VAL A 20 -8.834 6.164 -7.318 1.00 43.10 C ATOM 324 CG2 VAL A 20 -8.809 3.729 -7.410 1.00 63.04 C ATOM 0 H VAL A 20 -11.611 3.245 -7.096 1.00 72.00 H new ATOM 0 HA VAL A 20 -10.019 4.785 -5.329 1.00 31.43 H new ATOM 0 HB VAL A 20 -10.393 4.960 -8.277 1.00 43.14 H new ATOM 0 HG11 VAL A 20 -8.176 6.181 -8.187 1.00 43.10 H new ATOM 0 HG12 VAL A 20 -9.438 7.071 -7.302 1.00 43.10 H new ATOM 0 HG13 VAL A 20 -8.234 6.112 -6.410 1.00 43.10 H new ATOM 0 HG21 VAL A 20 -8.154 3.790 -8.279 1.00 63.04 H new ATOM 0 HG22 VAL A 20 -8.206 3.727 -6.502 1.00 63.04 H new ATOM 0 HG23 VAL A 20 -9.394 2.811 -7.460 1.00 63.04 H new ATOM 334 N ARG A 21 -12.449 6.481 -6.833 1.00 43.33 N ATOM 335 CA ARG A 21 -13.251 7.694 -6.666 1.00 21.22 C ATOM 336 C ARG A 21 -13.955 7.699 -5.304 1.00 72.40 C ATOM 337 O ARG A 21 -13.974 8.738 -4.650 1.00 12.43 O ATOM 338 CB ARG A 21 -14.197 7.889 -7.865 1.00 1.43 C ATOM 339 CG ARG A 21 -15.174 6.736 -8.116 1.00 23.32 C ATOM 340 CD ARG A 21 -16.530 6.901 -7.437 1.00 14.32 C ATOM 341 NE ARG A 21 -17.407 7.777 -8.225 1.00 22.33 N ATOM 342 CZ ARG A 21 -18.374 7.413 -9.070 1.00 31.31 C ATOM 343 NH1 ARG A 21 -18.777 6.149 -9.130 1.00 75.10 N ATOM 344 NH2 ARG A 21 -18.901 8.338 -9.860 1.00 31.11 N ATOM 0 H ARG A 21 -12.682 5.927 -7.657 1.00 43.33 H new ATOM 0 HA ARG A 21 -12.596 8.565 -6.660 1.00 21.22 H new ATOM 0 HB2 ARG A 21 -14.770 8.803 -7.711 1.00 1.43 H new ATOM 0 HB3 ARG A 21 -13.596 8.037 -8.762 1.00 1.43 H new ATOM 0 HG2 ARG A 21 -15.329 6.634 -9.190 1.00 23.32 H new ATOM 0 HG3 ARG A 21 -14.719 5.808 -7.770 1.00 23.32 H new ATOM 0 HD2 ARG A 21 -17.000 5.926 -7.313 1.00 14.32 H new ATOM 0 HD3 ARG A 21 -16.393 7.318 -6.439 1.00 14.32 H new ATOM 0 HE ARG A 21 -17.260 8.780 -8.114 1.00 22.33 H new ATOM 0 HH11 ARG A 21 -18.347 5.447 -8.527 1.00 75.10 H new ATOM 0 HH12 ARG A 21 -19.517 5.880 -9.779 1.00 75.10 H new ATOM 0 HH21 ARG A 21 -18.566 9.300 -9.813 1.00 31.11 H new ATOM 0 HH22 ARG A 21 -19.641 8.087 -10.515 1.00 31.11 H new ATOM 358 N LEU A 22 -14.458 6.547 -4.835 1.00 31.45 N ATOM 359 CA LEU A 22 -15.133 6.454 -3.541 1.00 21.11 C ATOM 360 C LEU A 22 -14.171 6.927 -2.448 1.00 33.23 C ATOM 361 O LEU A 22 -14.483 7.845 -1.688 1.00 1.12 O ATOM 362 CB LEU A 22 -15.596 5.010 -3.262 1.00 32.13 C ATOM 363 CG LEU A 22 -16.463 4.891 -2.000 1.00 63.20 C ATOM 364 CD1 LEU A 22 -17.870 5.435 -2.235 1.00 51.13 C ATOM 365 CD2 LEU A 22 -16.515 3.436 -1.519 1.00 64.11 C ATOM 0 H LEU A 22 -14.407 5.663 -5.341 1.00 31.45 H new ATOM 0 HA LEU A 22 -16.020 7.087 -3.552 1.00 21.11 H new ATOM 0 HB2 LEU A 22 -16.160 4.643 -4.120 1.00 32.13 H new ATOM 0 HB3 LEU A 22 -14.722 4.368 -3.157 1.00 32.13 H new ATOM 0 HG LEU A 22 -16.003 5.498 -1.220 1.00 63.20 H new ATOM 0 HD11 LEU A 22 -18.456 5.335 -1.321 1.00 51.13 H new ATOM 0 HD12 LEU A 22 -17.811 6.487 -2.515 1.00 51.13 H new ATOM 0 HD13 LEU A 22 -18.349 4.872 -3.036 1.00 51.13 H new ATOM 0 HD21 LEU A 22 -17.134 3.371 -0.624 1.00 64.11 H new ATOM 0 HD22 LEU A 22 -16.942 2.809 -2.302 1.00 64.11 H new ATOM 0 HD23 LEU A 22 -15.506 3.093 -1.289 1.00 64.11 H new ATOM 377 N ILE A 23 -12.978 6.322 -2.392 1.00 14.33 N ATOM 378 CA ILE A 23 -11.950 6.661 -1.415 1.00 64.23 C ATOM 379 C ILE A 23 -11.514 8.123 -1.569 1.00 70.13 C ATOM 380 O ILE A 23 -11.261 8.786 -0.564 1.00 22.23 O ATOM 381 CB ILE A 23 -10.807 5.617 -1.459 1.00 15.52 C ATOM 382 CG1 ILE A 23 -11.008 4.572 -0.339 1.00 52.30 C ATOM 383 CG2 ILE A 23 -9.405 6.218 -1.322 1.00 41.42 C ATOM 384 CD1 ILE A 23 -12.281 3.727 -0.490 1.00 3.53 C ATOM 0 H ILE A 23 -12.702 5.577 -3.032 1.00 14.33 H new ATOM 0 HA ILE A 23 -12.352 6.602 -0.404 1.00 64.23 H new ATOM 0 HB ILE A 23 -10.862 5.160 -2.447 1.00 15.52 H new ATOM 0 HG12 ILE A 23 -10.144 3.907 -0.318 1.00 52.30 H new ATOM 0 HG13 ILE A 23 -11.038 5.086 0.622 1.00 52.30 H new ATOM 0 HG21 ILE A 23 -8.662 5.421 -1.363 1.00 41.42 H new ATOM 0 HG22 ILE A 23 -9.229 6.920 -2.137 1.00 41.42 H new ATOM 0 HG23 ILE A 23 -9.325 6.741 -0.369 1.00 41.42 H new ATOM 0 HD11 ILE A 23 -12.347 3.019 0.336 1.00 3.53 H new ATOM 0 HD12 ILE A 23 -13.154 4.379 -0.480 1.00 3.53 H new ATOM 0 HD13 ILE A 23 -12.246 3.182 -1.434 1.00 3.53 H new ATOM 396 N ARG A 24 -11.449 8.659 -2.791 1.00 22.05 N ATOM 397 CA ARG A 24 -11.055 10.049 -3.008 1.00 11.15 C ATOM 398 C ARG A 24 -12.125 10.987 -2.455 1.00 50.33 C ATOM 399 O ARG A 24 -11.802 12.106 -2.072 1.00 74.30 O ATOM 400 CB ARG A 24 -10.779 10.316 -4.495 1.00 10.22 C ATOM 401 CG ARG A 24 -9.636 9.472 -5.106 1.00 35.11 C ATOM 402 CD ARG A 24 -8.451 10.309 -5.578 1.00 1.43 C ATOM 403 NE ARG A 24 -7.541 10.634 -4.469 1.00 23.32 N ATOM 404 CZ ARG A 24 -6.679 11.659 -4.444 1.00 43.34 C ATOM 405 NH1 ARG A 24 -6.546 12.489 -5.475 1.00 25.13 N ATOM 406 NH2 ARG A 24 -5.916 11.872 -3.380 1.00 24.34 N ATOM 0 H ARG A 24 -11.666 8.147 -3.646 1.00 22.05 H new ATOM 0 HA ARG A 24 -10.126 10.241 -2.471 1.00 11.15 H new ATOM 0 HB2 ARG A 24 -11.692 10.127 -5.059 1.00 10.22 H new ATOM 0 HB3 ARG A 24 -10.539 11.372 -4.621 1.00 10.22 H new ATOM 0 HG2 ARG A 24 -9.290 8.751 -4.365 1.00 35.11 H new ATOM 0 HG3 ARG A 24 -10.026 8.901 -5.948 1.00 35.11 H new ATOM 0 HD2 ARG A 24 -7.906 9.766 -6.350 1.00 1.43 H new ATOM 0 HD3 ARG A 24 -8.814 11.230 -6.033 1.00 1.43 H new ATOM 0 HE ARG A 24 -7.569 10.027 -3.649 1.00 23.32 H new ATOM 0 HH11 ARG A 24 -7.109 12.354 -6.315 1.00 25.13 H new ATOM 0 HH12 ARG A 24 -5.881 13.261 -5.426 1.00 25.13 H new ATOM 0 HH21 ARG A 24 -5.983 11.253 -2.572 1.00 24.34 H new ATOM 0 HH22 ARG A 24 -5.262 12.655 -3.370 1.00 24.34 H new ATOM 420 N GLU A 25 -13.390 10.574 -2.396 1.00 61.13 N ATOM 421 CA GLU A 25 -14.468 11.403 -1.871 1.00 45.20 C ATOM 422 C GLU A 25 -14.472 11.390 -0.341 1.00 24.23 C ATOM 423 O GLU A 25 -14.508 12.448 0.277 1.00 42.52 O ATOM 424 CB GLU A 25 -15.818 10.944 -2.446 1.00 61.33 C ATOM 425 CG GLU A 25 -16.107 11.532 -3.829 1.00 31.04 C ATOM 426 CD GLU A 25 -16.198 13.055 -3.739 1.00 44.40 C ATOM 427 OE1 GLU A 25 -17.190 13.576 -3.164 1.00 64.24 O ATOM 428 OE2 GLU A 25 -15.214 13.722 -4.140 1.00 62.12 O ATOM 0 H GLU A 25 -13.694 9.653 -2.712 1.00 61.13 H new ATOM 0 HA GLU A 25 -14.302 12.434 -2.184 1.00 45.20 H new ATOM 0 HB2 GLU A 25 -15.829 9.856 -2.510 1.00 61.33 H new ATOM 0 HB3 GLU A 25 -16.616 11.231 -1.761 1.00 61.33 H new ATOM 0 HG2 GLU A 25 -15.320 11.247 -4.527 1.00 31.04 H new ATOM 0 HG3 GLU A 25 -17.040 11.126 -4.219 1.00 31.04 H new ATOM 435 N GLN A 26 -14.413 10.222 0.299 1.00 21.32 N ATOM 436 CA GLN A 26 -14.425 10.108 1.769 1.00 65.03 C ATOM 437 C GLN A 26 -13.080 10.510 2.391 1.00 62.23 C ATOM 438 O GLN A 26 -13.031 11.019 3.515 1.00 4.25 O ATOM 439 CB GLN A 26 -14.824 8.684 2.184 1.00 30.24 C ATOM 440 CG GLN A 26 -13.820 7.644 1.695 1.00 22.44 C ATOM 441 CD GLN A 26 -14.351 6.231 1.816 1.00 74.10 C ATOM 442 OE1 GLN A 26 -15.105 5.772 0.971 1.00 2.52 O ATOM 443 NE2 GLN A 26 -13.982 5.506 2.847 1.00 33.33 N ATOM 0 H GLN A 26 -14.355 9.324 -0.182 1.00 21.32 H new ATOM 0 HA GLN A 26 -15.168 10.808 2.152 1.00 65.03 H new ATOM 0 HB2 GLN A 26 -14.901 8.631 3.270 1.00 30.24 H new ATOM 0 HB3 GLN A 26 -15.811 8.452 1.783 1.00 30.24 H new ATOM 0 HG2 GLN A 26 -13.568 7.847 0.654 1.00 22.44 H new ATOM 0 HG3 GLN A 26 -12.898 7.734 2.270 1.00 22.44 H new ATOM 0 HE21 GLN A 26 -13.352 5.898 3.547 1.00 33.33 H new ATOM 0 HE22 GLN A 26 -14.325 4.551 2.948 1.00 33.33 H new ATOM 452 N HIS A 27 -11.974 10.316 1.663 1.00 10.45 N ATOM 453 CA HIS A 27 -10.622 10.629 2.107 1.00 61.13 C ATOM 454 C HIS A 27 -9.853 11.406 1.024 1.00 74.02 C ATOM 455 O HIS A 27 -8.857 10.906 0.488 1.00 23.12 O ATOM 456 CB HIS A 27 -9.883 9.343 2.530 1.00 23.13 C ATOM 457 CG HIS A 27 -10.542 8.531 3.616 1.00 64.41 C ATOM 458 ND1 HIS A 27 -10.947 8.993 4.846 1.00 33.04 N ATOM 459 CD2 HIS A 27 -10.877 7.206 3.542 1.00 44.12 C ATOM 460 CE1 HIS A 27 -11.541 7.975 5.490 1.00 41.14 C ATOM 461 NE2 HIS A 27 -11.529 6.870 4.727 1.00 3.15 N ATOM 0 H HIS A 27 -12.002 9.925 0.721 1.00 10.45 H new ATOM 0 HA HIS A 27 -10.683 11.277 2.982 1.00 61.13 H new ATOM 0 HB2 HIS A 27 -9.764 8.710 1.651 1.00 23.13 H new ATOM 0 HB3 HIS A 27 -8.882 9.616 2.864 1.00 23.13 H new ATOM 0 HD2 HIS A 27 -10.673 6.542 2.715 1.00 44.12 H new ATOM 0 HE1 HIS A 27 -11.968 8.036 6.480 1.00 41.14 H new ATOM 0 HE2 HIS A 27 -11.922 5.960 4.968 1.00 3.15 H new ATOM 469 N PRO A 28 -10.237 12.657 0.718 1.00 45.51 N ATOM 470 CA PRO A 28 -9.551 13.472 -0.287 1.00 64.04 C ATOM 471 C PRO A 28 -8.146 13.853 0.191 1.00 63.13 C ATOM 472 O PRO A 28 -7.255 14.140 -0.608 1.00 62.44 O ATOM 473 CB PRO A 28 -10.437 14.706 -0.484 1.00 10.25 C ATOM 474 CG PRO A 28 -11.190 14.830 0.842 1.00 30.35 C ATOM 475 CD PRO A 28 -11.372 13.377 1.266 1.00 5.31 C ATOM 0 HA PRO A 28 -9.411 12.935 -1.225 1.00 64.04 H new ATOM 0 HB2 PRO A 28 -9.843 15.596 -0.691 1.00 10.25 H new ATOM 0 HB3 PRO A 28 -11.122 14.577 -1.322 1.00 10.25 H new ATOM 0 HG2 PRO A 28 -10.621 15.398 1.578 1.00 30.35 H new ATOM 0 HG3 PRO A 28 -12.147 15.338 0.718 1.00 30.35 H new ATOM 0 HD2 PRO A 28 -11.403 13.288 2.352 1.00 5.31 H new ATOM 0 HD3 PRO A 28 -12.311 12.974 0.886 1.00 5.31 H new ATOM 483 N THR A 29 -7.916 13.776 1.499 1.00 71.20 N ATOM 484 CA THR A 29 -6.675 14.079 2.182 1.00 65.03 C ATOM 485 C THR A 29 -5.765 12.838 2.263 1.00 31.35 C ATOM 486 O THR A 29 -4.738 12.873 2.946 1.00 33.43 O ATOM 487 CB THR A 29 -7.060 14.604 3.576 1.00 32.45 C ATOM 488 OG1 THR A 29 -7.966 13.701 4.195 1.00 13.41 O ATOM 489 CG2 THR A 29 -7.735 15.977 3.503 1.00 62.20 C ATOM 0 H THR A 29 -8.645 13.480 2.148 1.00 71.20 H new ATOM 0 HA THR A 29 -6.100 14.829 1.639 1.00 65.03 H new ATOM 0 HB THR A 29 -6.139 14.693 4.152 1.00 32.45 H new ATOM 0 HG1 THR A 29 -8.208 14.037 5.083 1.00 13.41 H new ATOM 0 HG21 THR A 29 -7.990 16.311 4.509 1.00 62.20 H new ATOM 0 HG22 THR A 29 -7.053 16.694 3.045 1.00 62.20 H new ATOM 0 HG23 THR A 29 -8.642 15.905 2.903 1.00 62.20 H new ATOM 497 N LYS A 30 -6.131 11.713 1.626 1.00 13.35 N ATOM 498 CA LYS A 30 -5.356 10.471 1.600 1.00 74.21 C ATOM 499 C LYS A 30 -5.037 10.149 0.152 1.00 53.52 C ATOM 500 O LYS A 30 -5.748 10.547 -0.777 1.00 10.44 O ATOM 501 CB LYS A 30 -6.117 9.294 2.246 1.00 44.30 C ATOM 502 CG LYS A 30 -6.316 9.479 3.757 1.00 41.32 C ATOM 503 CD LYS A 30 -4.996 9.633 4.526 1.00 41.32 C ATOM 504 CE LYS A 30 -5.114 9.400 6.030 1.00 42.41 C ATOM 505 NZ LYS A 30 -6.101 10.283 6.694 1.00 42.53 N ATOM 0 H LYS A 30 -7.002 11.646 1.100 1.00 13.35 H new ATOM 0 HA LYS A 30 -4.445 10.613 2.181 1.00 74.21 H new ATOM 0 HB2 LYS A 30 -7.089 9.187 1.765 1.00 44.30 H new ATOM 0 HB3 LYS A 30 -5.569 8.369 2.066 1.00 44.30 H new ATOM 0 HG2 LYS A 30 -6.935 10.359 3.930 1.00 41.32 H new ATOM 0 HG3 LYS A 30 -6.862 8.623 4.153 1.00 41.32 H new ATOM 0 HD2 LYS A 30 -4.267 8.933 4.118 1.00 41.32 H new ATOM 0 HD3 LYS A 30 -4.604 10.636 4.355 1.00 41.32 H new ATOM 0 HE2 LYS A 30 -5.392 8.361 6.207 1.00 42.41 H new ATOM 0 HE3 LYS A 30 -4.137 9.551 6.490 1.00 42.41 H new ATOM 0 HZ1 LYS A 30 -6.128 10.070 7.712 1.00 42.53 H new ATOM 0 HZ2 LYS A 30 -5.826 11.276 6.556 1.00 42.53 H new ATOM 0 HZ3 LYS A 30 -7.042 10.123 6.282 1.00 42.53 H new ATOM 519 N ILE A 31 -4.002 9.352 -0.032 1.00 50.44 N ATOM 520 CA ILE A 31 -3.496 8.887 -1.295 1.00 43.34 C ATOM 521 C ILE A 31 -3.718 7.371 -1.282 1.00 2.51 C ATOM 522 O ILE A 31 -3.162 6.709 -0.387 1.00 53.55 O ATOM 523 CB ILE A 31 -2.006 9.269 -1.457 1.00 23.22 C ATOM 524 CG1 ILE A 31 -1.739 10.793 -1.411 1.00 61.02 C ATOM 525 CG2 ILE A 31 -1.469 8.681 -2.768 1.00 61.41 C ATOM 526 CD1 ILE A 31 -2.592 11.657 -2.346 1.00 51.21 C ATOM 0 H ILE A 31 -3.461 8.992 0.754 1.00 50.44 H new ATOM 0 HA ILE A 31 -4.003 9.343 -2.145 1.00 43.34 H new ATOM 0 HB ILE A 31 -1.481 8.847 -0.600 1.00 23.22 H new ATOM 0 HG12 ILE A 31 -1.895 11.138 -0.389 1.00 61.02 H new ATOM 0 HG13 ILE A 31 -0.689 10.964 -1.649 1.00 61.02 H new ATOM 0 HG21 ILE A 31 -0.419 8.949 -2.884 1.00 61.41 H new ATOM 0 HG22 ILE A 31 -1.566 7.596 -2.747 1.00 61.41 H new ATOM 0 HG23 ILE A 31 -2.040 9.080 -3.606 1.00 61.41 H new ATOM 0 HD11 ILE A 31 -2.316 12.705 -2.226 1.00 51.21 H new ATOM 0 HD12 ILE A 31 -2.422 11.353 -3.379 1.00 51.21 H new ATOM 0 HD13 ILE A 31 -3.646 11.529 -2.099 1.00 51.21 H new ATOM 538 N PRO A 32 -4.537 6.847 -2.222 1.00 4.15 N ATOM 539 CA PRO A 32 -4.825 5.427 -2.365 1.00 41.54 C ATOM 540 C PRO A 32 -3.623 4.722 -3.011 1.00 61.03 C ATOM 541 O PRO A 32 -3.340 4.861 -4.209 1.00 55.11 O ATOM 542 CB PRO A 32 -6.063 5.353 -3.254 1.00 54.10 C ATOM 543 CG PRO A 32 -6.000 6.602 -4.129 1.00 71.30 C ATOM 544 CD PRO A 32 -5.242 7.599 -3.263 1.00 40.51 C ATOM 0 HA PRO A 32 -5.003 4.933 -1.410 1.00 41.54 H new ATOM 0 HB2 PRO A 32 -6.060 4.447 -3.860 1.00 54.10 H new ATOM 0 HB3 PRO A 32 -6.976 5.335 -2.658 1.00 54.10 H new ATOM 0 HG2 PRO A 32 -5.481 6.409 -5.068 1.00 71.30 H new ATOM 0 HG3 PRO A 32 -6.996 6.966 -4.383 1.00 71.30 H new ATOM 0 HD2 PRO A 32 -4.536 8.169 -3.867 1.00 40.51 H new ATOM 0 HD3 PRO A 32 -5.930 8.316 -2.816 1.00 40.51 H new ATOM 552 N VAL A 33 -2.909 3.937 -2.216 1.00 35.40 N ATOM 553 CA VAL A 33 -1.730 3.215 -2.666 1.00 32.30 C ATOM 554 C VAL A 33 -1.941 1.723 -2.409 1.00 40.34 C ATOM 555 O VAL A 33 -2.604 1.330 -1.443 1.00 0.50 O ATOM 556 CB VAL A 33 -0.497 3.875 -2.007 1.00 71.12 C ATOM 557 CG1 VAL A 33 -0.595 3.941 -0.478 1.00 60.43 C ATOM 558 CG2 VAL A 33 0.833 3.226 -2.392 1.00 3.12 C ATOM 0 H VAL A 33 -3.135 3.783 -1.233 1.00 35.40 H new ATOM 0 HA VAL A 33 -1.550 3.277 -3.739 1.00 32.30 H new ATOM 0 HB VAL A 33 -0.507 4.889 -2.407 1.00 71.12 H new ATOM 0 HG11 VAL A 33 0.301 4.415 -0.076 1.00 60.43 H new ATOM 0 HG12 VAL A 33 -1.472 4.523 -0.194 1.00 60.43 H new ATOM 0 HG13 VAL A 33 -0.684 2.932 -0.075 1.00 60.43 H new ATOM 0 HG21 VAL A 33 1.650 3.745 -1.890 1.00 3.12 H new ATOM 0 HG22 VAL A 33 0.828 2.179 -2.090 1.00 3.12 H new ATOM 0 HG23 VAL A 33 0.971 3.291 -3.471 1.00 3.12 H new ATOM 568 N ILE A 34 -1.440 0.906 -3.329 1.00 1.10 N ATOM 569 CA ILE A 34 -1.495 -0.540 -3.312 1.00 42.11 C ATOM 570 C ILE A 34 -0.076 -0.965 -2.980 1.00 1.43 C ATOM 571 O ILE A 34 0.857 -0.555 -3.670 1.00 31.33 O ATOM 572 CB ILE A 34 -1.950 -1.078 -4.687 1.00 32.10 C ATOM 573 CG1 ILE A 34 -3.402 -0.680 -5.029 1.00 52.43 C ATOM 574 CG2 ILE A 34 -1.778 -2.604 -4.792 1.00 31.20 C ATOM 575 CD1 ILE A 34 -4.479 -1.177 -4.058 1.00 4.52 C ATOM 0 H ILE A 34 -0.957 1.263 -4.153 1.00 1.10 H new ATOM 0 HA ILE A 34 -2.212 -0.932 -2.590 1.00 42.11 H new ATOM 0 HB ILE A 34 -1.297 -0.607 -5.421 1.00 32.10 H new ATOM 0 HG12 ILE A 34 -3.458 0.407 -5.078 1.00 52.43 H new ATOM 0 HG13 ILE A 34 -3.636 -1.056 -6.025 1.00 52.43 H new ATOM 0 HG21 ILE A 34 -2.110 -2.941 -5.774 1.00 31.20 H new ATOM 0 HG22 ILE A 34 -0.728 -2.862 -4.655 1.00 31.20 H new ATOM 0 HG23 ILE A 34 -2.375 -3.091 -4.021 1.00 31.20 H new ATOM 0 HD11 ILE A 34 -5.458 -0.839 -4.397 1.00 4.52 H new ATOM 0 HD12 ILE A 34 -4.463 -2.266 -4.024 1.00 4.52 H new ATOM 0 HD13 ILE A 34 -4.282 -0.780 -3.062 1.00 4.52 H new ATOM 587 N ILE A 35 0.093 -1.744 -1.917 1.00 21.31 N ATOM 588 CA ILE A 35 1.383 -2.237 -1.491 1.00 15.21 C ATOM 589 C ILE A 35 1.322 -3.748 -1.489 1.00 44.55 C ATOM 590 O ILE A 35 0.473 -4.325 -0.810 1.00 35.41 O ATOM 591 CB ILE A 35 1.814 -1.688 -0.119 1.00 41.43 C ATOM 592 CG1 ILE A 35 2.144 -0.182 -0.190 1.00 0.22 C ATOM 593 CG2 ILE A 35 3.073 -2.440 0.343 1.00 75.51 C ATOM 594 CD1 ILE A 35 0.946 0.685 0.172 1.00 35.22 C ATOM 0 H ILE A 35 -0.678 -2.051 -1.324 1.00 21.31 H new ATOM 0 HA ILE A 35 2.144 -1.886 -2.188 1.00 15.21 H new ATOM 0 HB ILE A 35 0.989 -1.831 0.579 1.00 41.43 H new ATOM 0 HG12 ILE A 35 2.969 0.040 0.487 1.00 0.22 H new ATOM 0 HG13 ILE A 35 2.481 0.068 -1.196 1.00 0.22 H new ATOM 0 HG21 ILE A 35 3.388 -2.059 1.315 1.00 75.51 H new ATOM 0 HG22 ILE A 35 2.852 -3.504 0.424 1.00 75.51 H new ATOM 0 HG23 ILE A 35 3.873 -2.290 -0.382 1.00 75.51 H new ATOM 0 HD11 ILE A 35 1.225 1.737 0.108 1.00 35.22 H new ATOM 0 HD12 ILE A 35 0.129 0.484 -0.521 1.00 35.22 H new ATOM 0 HD13 ILE A 35 0.625 0.456 1.188 1.00 35.22 H new ATOM 606 N GLU A 36 2.237 -4.374 -2.224 1.00 51.35 N ATOM 607 CA GLU A 36 2.321 -5.821 -2.270 1.00 41.11 C ATOM 608 C GLU A 36 3.788 -6.241 -2.066 1.00 60.42 C ATOM 609 O GLU A 36 4.723 -5.426 -2.064 1.00 32.50 O ATOM 610 CB GLU A 36 1.577 -6.370 -3.509 1.00 71.15 C ATOM 611 CG GLU A 36 0.918 -7.736 -3.226 1.00 15.50 C ATOM 612 CD GLU A 36 -0.311 -8.054 -4.102 1.00 21.30 C ATOM 613 OE1 GLU A 36 -0.324 -7.712 -5.310 1.00 42.12 O ATOM 614 OE2 GLU A 36 -1.262 -8.695 -3.571 1.00 31.32 O ATOM 0 H GLU A 36 2.932 -3.894 -2.797 1.00 51.35 H new ATOM 0 HA GLU A 36 1.787 -6.298 -1.448 1.00 41.11 H new ATOM 0 HB2 GLU A 36 0.814 -5.656 -3.820 1.00 71.15 H new ATOM 0 HB3 GLU A 36 2.277 -6.470 -4.338 1.00 71.15 H new ATOM 0 HG2 GLU A 36 1.662 -8.519 -3.370 1.00 15.50 H new ATOM 0 HG3 GLU A 36 0.619 -7.769 -2.178 1.00 15.50 H new ATOM 621 N ARG A 37 3.997 -7.522 -1.785 1.00 0.11 N ATOM 622 CA ARG A 37 5.326 -8.052 -1.551 1.00 21.44 C ATOM 623 C ARG A 37 5.937 -8.484 -2.868 1.00 31.12 C ATOM 624 O ARG A 37 5.202 -9.039 -3.696 1.00 13.43 O ATOM 625 CB ARG A 37 5.168 -9.227 -0.592 1.00 14.00 C ATOM 626 CG ARG A 37 6.540 -9.730 -0.148 1.00 21.53 C ATOM 627 CD ARG A 37 6.468 -11.124 0.463 1.00 60.42 C ATOM 628 NE ARG A 37 6.043 -12.051 -0.587 1.00 51.31 N ATOM 629 CZ ARG A 37 6.356 -13.348 -0.655 1.00 32.24 C ATOM 630 NH1 ARG A 37 6.892 -13.987 0.376 1.00 42.12 N ATOM 631 NH2 ARG A 37 6.130 -14.021 -1.771 1.00 74.31 N ATOM 0 H ARG A 37 3.252 -8.215 -1.714 1.00 0.11 H new ATOM 0 HA ARG A 37 5.992 -7.307 -1.117 1.00 21.44 H new ATOM 0 HB2 ARG A 37 4.585 -8.921 0.277 1.00 14.00 H new ATOM 0 HB3 ARG A 37 4.617 -10.032 -1.078 1.00 14.00 H new ATOM 0 HG2 ARG A 37 7.215 -9.744 -1.004 1.00 21.53 H new ATOM 0 HG3 ARG A 37 6.962 -9.037 0.580 1.00 21.53 H new ATOM 0 HD2 ARG A 37 7.439 -11.417 0.861 1.00 60.42 H new ATOM 0 HD3 ARG A 37 5.764 -11.141 1.295 1.00 60.42 H new ATOM 0 HE ARG A 37 5.457 -11.674 -1.332 1.00 51.31 H new ATOM 0 HH11 ARG A 37 7.074 -13.488 1.247 1.00 42.12 H new ATOM 0 HH12 ARG A 37 7.122 -14.978 0.298 1.00 42.12 H new ATOM 0 HH21 ARG A 37 5.718 -13.550 -2.576 1.00 74.31 H new ATOM 0 HH22 ARG A 37 6.368 -15.011 -1.826 1.00 74.31 H new ATOM 645 N TYR A 38 7.246 -8.270 -3.048 1.00 74.31 N ATOM 646 CA TYR A 38 7.905 -8.701 -4.278 1.00 1.33 C ATOM 647 C TYR A 38 7.683 -10.202 -4.453 1.00 64.24 C ATOM 648 O TYR A 38 7.699 -10.960 -3.476 1.00 60.41 O ATOM 649 CB TYR A 38 9.396 -8.380 -4.239 1.00 75.34 C ATOM 650 CG TYR A 38 10.199 -8.889 -5.423 1.00 35.30 C ATOM 651 CD1 TYR A 38 9.879 -8.497 -6.738 1.00 42.21 C ATOM 652 CD2 TYR A 38 11.283 -9.757 -5.204 1.00 3.32 C ATOM 653 CE1 TYR A 38 10.635 -8.971 -7.825 1.00 61.52 C ATOM 654 CE2 TYR A 38 12.038 -10.237 -6.286 1.00 42.31 C ATOM 655 CZ TYR A 38 11.719 -9.849 -7.603 1.00 52.15 C ATOM 656 OH TYR A 38 12.436 -10.334 -8.653 1.00 75.55 O ATOM 0 H TYR A 38 7.855 -7.811 -2.371 1.00 74.31 H new ATOM 0 HA TYR A 38 7.477 -8.164 -5.125 1.00 1.33 H new ATOM 0 HB2 TYR A 38 9.517 -7.299 -4.177 1.00 75.34 H new ATOM 0 HB3 TYR A 38 9.818 -8.801 -3.326 1.00 75.34 H new ATOM 0 HD1 TYR A 38 9.049 -7.829 -6.912 1.00 42.21 H new ATOM 0 HD2 TYR A 38 11.536 -10.056 -4.198 1.00 3.32 H new ATOM 0 HE1 TYR A 38 10.387 -8.664 -8.830 1.00 61.52 H new ATOM 0 HE2 TYR A 38 12.867 -10.906 -6.108 1.00 42.31 H new ATOM 0 HH TYR A 38 13.146 -10.922 -8.321 1.00 75.55 H new ATOM 666 N LYS A 39 7.499 -10.649 -5.694 1.00 51.04 N ATOM 667 CA LYS A 39 7.265 -12.053 -5.990 1.00 24.21 C ATOM 668 C LYS A 39 8.375 -12.959 -5.475 1.00 71.42 C ATOM 669 O LYS A 39 8.064 -14.049 -4.988 1.00 41.01 O ATOM 670 CB LYS A 39 7.045 -12.234 -7.499 1.00 34.43 C ATOM 671 CG LYS A 39 8.268 -11.909 -8.380 1.00 20.33 C ATOM 672 CD LYS A 39 7.944 -12.038 -9.870 1.00 3.23 C ATOM 673 CE LYS A 39 7.686 -13.514 -10.188 1.00 75.31 C ATOM 674 NZ LYS A 39 7.638 -13.803 -11.631 1.00 24.42 N ATOM 0 H LYS A 39 7.509 -10.047 -6.517 1.00 51.04 H new ATOM 0 HA LYS A 39 6.364 -12.358 -5.458 1.00 24.21 H new ATOM 0 HB2 LYS A 39 6.745 -13.265 -7.686 1.00 34.43 H new ATOM 0 HB3 LYS A 39 6.214 -11.600 -7.808 1.00 34.43 H new ATOM 0 HG2 LYS A 39 8.610 -10.896 -8.169 1.00 20.33 H new ATOM 0 HG3 LYS A 39 9.088 -12.581 -8.127 1.00 20.33 H new ATOM 0 HD2 LYS A 39 7.069 -11.439 -10.120 1.00 3.23 H new ATOM 0 HD3 LYS A 39 8.771 -11.660 -10.471 1.00 3.23 H new ATOM 0 HE2 LYS A 39 8.469 -14.119 -9.730 1.00 75.31 H new ATOM 0 HE3 LYS A 39 6.743 -13.816 -9.733 1.00 75.31 H new ATOM 0 HZ1 LYS A 39 7.461 -14.817 -11.776 1.00 24.42 H new ATOM 0 HZ2 LYS A 39 6.874 -13.251 -12.070 1.00 24.42 H new ATOM 0 HZ3 LYS A 39 8.546 -13.545 -12.067 1.00 24.42 H new ATOM 688 N GLY A 40 9.626 -12.507 -5.539 1.00 44.44 N ATOM 689 CA GLY A 40 10.783 -13.266 -5.109 1.00 75.53 C ATOM 690 C GLY A 40 11.135 -13.112 -3.636 1.00 72.54 C ATOM 691 O GLY A 40 12.151 -13.676 -3.231 1.00 35.51 O ATOM 0 H GLY A 40 9.861 -11.582 -5.900 1.00 44.44 H new ATOM 0 HA2 GLY A 40 10.606 -14.321 -5.318 1.00 75.53 H new ATOM 0 HA3 GLY A 40 11.642 -12.963 -5.707 1.00 75.53 H new ATOM 695 N GLU A 41 10.375 -12.349 -2.841 1.00 31.40 N ATOM 696 CA GLU A 41 10.658 -12.165 -1.426 1.00 53.23 C ATOM 697 C GLU A 41 10.465 -13.519 -0.732 1.00 20.32 C ATOM 698 O GLU A 41 9.515 -14.254 -1.027 1.00 4.03 O ATOM 699 CB GLU A 41 9.758 -11.031 -0.928 1.00 71.11 C ATOM 700 CG GLU A 41 10.116 -10.478 0.461 1.00 72.53 C ATOM 701 CD GLU A 41 11.621 -10.463 0.728 1.00 24.50 C ATOM 702 OE1 GLU A 41 12.340 -9.569 0.232 1.00 0.32 O ATOM 703 OE2 GLU A 41 12.101 -11.451 1.326 1.00 32.24 O ATOM 0 H GLU A 41 9.550 -11.846 -3.167 1.00 31.40 H new ATOM 0 HA GLU A 41 11.682 -11.862 -1.206 1.00 53.23 H new ATOM 0 HB2 GLU A 41 9.797 -10.214 -1.648 1.00 71.11 H new ATOM 0 HB3 GLU A 41 8.728 -11.388 -0.906 1.00 71.11 H new ATOM 0 HG2 GLU A 41 9.726 -9.464 0.554 1.00 72.53 H new ATOM 0 HG3 GLU A 41 9.623 -11.081 1.224 1.00 72.53 H new ATOM 710 N LYS A 42 11.403 -13.886 0.142 1.00 61.35 N ATOM 711 CA LYS A 42 11.414 -15.147 0.884 1.00 13.42 C ATOM 712 C LYS A 42 11.919 -14.990 2.316 1.00 40.12 C ATOM 713 O LYS A 42 11.798 -15.956 3.073 1.00 43.12 O ATOM 714 CB LYS A 42 12.308 -16.161 0.143 1.00 2.03 C ATOM 715 CG LYS A 42 11.804 -16.620 -1.236 1.00 13.30 C ATOM 716 CD LYS A 42 10.533 -17.480 -1.198 1.00 51.32 C ATOM 717 CE LYS A 42 10.818 -18.908 -0.728 1.00 23.22 C ATOM 718 NZ LYS A 42 11.473 -19.701 -1.786 1.00 0.04 N ATOM 0 H LYS A 42 12.204 -13.293 0.360 1.00 61.35 H new ATOM 0 HA LYS A 42 10.383 -15.497 0.941 1.00 13.42 H new ATOM 0 HB2 LYS A 42 13.297 -15.721 0.019 1.00 2.03 H new ATOM 0 HB3 LYS A 42 12.428 -17.041 0.776 1.00 2.03 H new ATOM 0 HG2 LYS A 42 11.613 -15.740 -1.850 1.00 13.30 H new ATOM 0 HG3 LYS A 42 12.595 -17.186 -1.728 1.00 13.30 H new ATOM 0 HD2 LYS A 42 9.803 -17.019 -0.532 1.00 51.32 H new ATOM 0 HD3 LYS A 42 10.085 -17.508 -2.191 1.00 51.32 H new ATOM 0 HE2 LYS A 42 11.455 -18.882 0.156 1.00 23.22 H new ATOM 0 HE3 LYS A 42 9.885 -19.389 -0.435 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 11.515 -20.699 -1.496 1.00 0.04 H new ATOM 0 HZ2 LYS A 42 10.928 -19.620 -2.668 1.00 0.04 H new ATOM 0 HZ3 LYS A 42 12.438 -19.344 -1.940 1.00 0.04 H new ATOM 732 N GLN A 43 12.518 -13.851 2.684 1.00 13.11 N ATOM 733 CA GLN A 43 13.021 -13.595 4.026 1.00 24.24 C ATOM 734 C GLN A 43 12.099 -12.643 4.785 1.00 62.11 C ATOM 735 O GLN A 43 12.049 -12.716 6.017 1.00 42.21 O ATOM 736 CB GLN A 43 14.458 -13.040 4.012 1.00 54.31 C ATOM 737 CG GLN A 43 14.702 -11.803 3.121 1.00 62.24 C ATOM 738 CD GLN A 43 15.277 -12.098 1.721 1.00 24.13 C ATOM 739 OE1 GLN A 43 15.808 -11.217 1.046 1.00 62.53 O ATOM 740 NE2 GLN A 43 15.165 -13.311 1.208 1.00 11.14 N ATOM 0 H GLN A 43 12.666 -13.072 2.042 1.00 13.11 H new ATOM 0 HA GLN A 43 13.040 -14.555 4.542 1.00 24.24 H new ATOM 0 HB2 GLN A 43 14.737 -12.786 5.035 1.00 54.31 H new ATOM 0 HB3 GLN A 43 15.129 -13.835 3.686 1.00 54.31 H new ATOM 0 HG2 GLN A 43 13.759 -11.270 3.003 1.00 62.24 H new ATOM 0 HG3 GLN A 43 15.385 -11.131 3.641 1.00 62.24 H new ATOM 0 HE21 GLN A 43 14.728 -14.056 1.751 1.00 11.14 H new ATOM 0 HE22 GLN A 43 15.516 -13.502 0.269 1.00 11.14 H new ATOM 749 N LEU A 44 11.400 -11.734 4.088 1.00 24.21 N ATOM 750 CA LEU A 44 10.504 -10.802 4.774 1.00 3.31 C ATOM 751 C LEU A 44 9.059 -11.319 4.707 1.00 31.10 C ATOM 752 O LEU A 44 8.702 -11.952 3.710 1.00 0.22 O ATOM 753 CB LEU A 44 10.611 -9.397 4.181 1.00 73.43 C ATOM 754 CG LEU A 44 11.896 -8.640 4.517 1.00 53.12 C ATOM 755 CD1 LEU A 44 11.915 -7.336 3.718 1.00 34.41 C ATOM 756 CD2 LEU A 44 11.966 -8.294 6.008 1.00 73.31 C ATOM 0 H LEU A 44 11.438 -11.628 3.074 1.00 24.21 H new ATOM 0 HA LEU A 44 10.804 -10.739 5.820 1.00 3.31 H new ATOM 0 HB2 LEU A 44 10.526 -9.471 3.097 1.00 73.43 H new ATOM 0 HB3 LEU A 44 9.761 -8.809 4.528 1.00 73.43 H new ATOM 0 HG LEU A 44 12.746 -9.274 4.266 1.00 53.12 H new ATOM 0 HD11 LEU A 44 12.826 -6.783 3.946 1.00 34.41 H new ATOM 0 HD12 LEU A 44 11.885 -7.562 2.652 1.00 34.41 H new ATOM 0 HD13 LEU A 44 11.048 -6.733 3.986 1.00 34.41 H new ATOM 0 HD21 LEU A 44 12.892 -7.756 6.214 1.00 73.31 H new ATOM 0 HD22 LEU A 44 11.115 -7.668 6.277 1.00 73.31 H new ATOM 0 HD23 LEU A 44 11.941 -9.211 6.596 1.00 73.31 H new ATOM 768 N PRO A 45 8.204 -11.057 5.712 1.00 34.32 N ATOM 769 CA PRO A 45 6.812 -11.518 5.747 1.00 42.45 C ATOM 770 C PRO A 45 5.894 -10.640 4.884 1.00 64.15 C ATOM 771 O PRO A 45 6.275 -9.535 4.480 1.00 24.20 O ATOM 772 CB PRO A 45 6.433 -11.477 7.227 1.00 32.53 C ATOM 773 CG PRO A 45 7.251 -10.308 7.772 1.00 1.04 C ATOM 774 CD PRO A 45 8.524 -10.319 6.925 1.00 74.13 C ATOM 0 HA PRO A 45 6.699 -12.518 5.328 1.00 42.45 H new ATOM 0 HB2 PRO A 45 5.364 -11.317 7.363 1.00 32.53 H new ATOM 0 HB3 PRO A 45 6.682 -12.411 7.731 1.00 32.53 H new ATOM 0 HG2 PRO A 45 6.714 -9.365 7.673 1.00 1.04 H new ATOM 0 HG3 PRO A 45 7.475 -10.437 8.831 1.00 1.04 H new ATOM 0 HD2 PRO A 45 8.842 -9.304 6.689 1.00 74.13 H new ATOM 0 HD3 PRO A 45 9.345 -10.793 7.463 1.00 74.13 H new ATOM 782 N VAL A 46 4.685 -11.119 4.582 1.00 14.03 N ATOM 783 CA VAL A 46 3.697 -10.416 3.763 1.00 2.34 C ATOM 784 C VAL A 46 2.760 -9.549 4.626 1.00 24.01 C ATOM 785 O VAL A 46 2.570 -9.838 5.809 1.00 60.32 O ATOM 786 CB VAL A 46 2.950 -11.462 2.902 1.00 11.23 C ATOM 787 CG1 VAL A 46 1.990 -12.356 3.703 1.00 52.31 C ATOM 788 CG2 VAL A 46 2.195 -10.821 1.728 1.00 1.44 C ATOM 0 H VAL A 46 4.359 -12.029 4.909 1.00 14.03 H new ATOM 0 HA VAL A 46 4.191 -9.711 3.094 1.00 2.34 H new ATOM 0 HB VAL A 46 3.741 -12.101 2.511 1.00 11.23 H new ATOM 0 HG11 VAL A 46 1.504 -13.063 3.030 1.00 52.31 H new ATOM 0 HG12 VAL A 46 2.550 -12.903 4.461 1.00 52.31 H new ATOM 0 HG13 VAL A 46 1.234 -11.737 4.186 1.00 52.31 H new ATOM 0 HG21 VAL A 46 1.688 -11.597 1.155 1.00 1.44 H new ATOM 0 HG22 VAL A 46 1.460 -10.113 2.111 1.00 1.44 H new ATOM 0 HG23 VAL A 46 2.901 -10.297 1.084 1.00 1.44 H new ATOM 798 N LEU A 47 2.187 -8.474 4.062 1.00 63.22 N ATOM 799 CA LEU A 47 1.244 -7.616 4.778 1.00 53.35 C ATOM 800 C LEU A 47 -0.077 -8.379 4.818 1.00 33.13 C ATOM 801 O LEU A 47 -0.344 -9.237 3.972 1.00 13.42 O ATOM 802 CB LEU A 47 1.012 -6.260 4.074 1.00 42.43 C ATOM 803 CG LEU A 47 1.944 -5.096 4.454 1.00 14.40 C ATOM 804 CD1 LEU A 47 1.907 -4.724 5.939 1.00 64.31 C ATOM 805 CD2 LEU A 47 3.365 -5.407 4.036 1.00 34.34 C ATOM 0 H LEU A 47 2.366 -8.181 3.102 1.00 63.22 H new ATOM 0 HA LEU A 47 1.643 -7.391 5.767 1.00 53.35 H new ATOM 0 HB2 LEU A 47 1.094 -6.420 2.999 1.00 42.43 H new ATOM 0 HB3 LEU A 47 -0.014 -5.949 4.272 1.00 42.43 H new ATOM 0 HG LEU A 47 1.570 -4.226 3.914 1.00 14.40 H new ATOM 0 HD11 LEU A 47 2.591 -3.896 6.124 1.00 64.31 H new ATOM 0 HD12 LEU A 47 0.895 -4.427 6.215 1.00 64.31 H new ATOM 0 HD13 LEU A 47 2.208 -5.584 6.537 1.00 64.31 H new ATOM 0 HD21 LEU A 47 4.015 -4.576 4.310 1.00 34.34 H new ATOM 0 HD22 LEU A 47 3.702 -6.313 4.539 1.00 34.34 H new ATOM 0 HD23 LEU A 47 3.402 -5.556 2.957 1.00 34.34 H new ATOM 817 N ASP A 48 -0.948 -8.027 5.759 1.00 41.52 N ATOM 818 CA ASP A 48 -2.252 -8.673 5.930 1.00 73.11 C ATOM 819 C ASP A 48 -3.276 -8.109 4.946 1.00 23.41 C ATOM 820 O ASP A 48 -4.248 -8.776 4.604 1.00 24.13 O ATOM 821 CB ASP A 48 -2.744 -8.546 7.376 1.00 12.32 C ATOM 822 CG ASP A 48 -1.661 -8.947 8.375 1.00 73.32 C ATOM 823 OD1 ASP A 48 -1.057 -10.034 8.231 1.00 44.54 O ATOM 824 OD2 ASP A 48 -1.320 -8.101 9.236 1.00 21.33 O ATOM 0 H ASP A 48 -0.771 -7.280 6.431 1.00 41.52 H new ATOM 0 HA ASP A 48 -2.132 -9.734 5.713 1.00 73.11 H new ATOM 0 HB2 ASP A 48 -3.053 -7.518 7.567 1.00 12.32 H new ATOM 0 HB3 ASP A 48 -3.623 -9.175 7.519 1.00 12.32 H new ATOM 829 N LYS A 49 -3.054 -6.891 4.455 1.00 55.13 N ATOM 830 CA LYS A 49 -3.895 -6.170 3.502 1.00 51.52 C ATOM 831 C LYS A 49 -2.997 -5.548 2.434 1.00 20.33 C ATOM 832 O LYS A 49 -1.795 -5.418 2.664 1.00 0.22 O ATOM 833 CB LYS A 49 -4.770 -5.134 4.234 1.00 61.23 C ATOM 834 CG LYS A 49 -4.053 -4.274 5.294 1.00 23.23 C ATOM 835 CD LYS A 49 -4.359 -4.712 6.741 1.00 73.00 C ATOM 836 CE LYS A 49 -5.759 -4.231 7.142 1.00 35.14 C ATOM 837 NZ LYS A 49 -6.235 -4.741 8.445 1.00 12.22 N ATOM 0 H LYS A 49 -2.234 -6.349 4.728 1.00 55.13 H new ATOM 0 HA LYS A 49 -4.586 -6.850 3.005 1.00 51.52 H new ATOM 0 HB2 LYS A 49 -5.209 -4.468 3.491 1.00 61.23 H new ATOM 0 HB3 LYS A 49 -5.594 -5.660 4.717 1.00 61.23 H new ATOM 0 HG2 LYS A 49 -2.977 -4.324 5.126 1.00 23.23 H new ATOM 0 HG3 LYS A 49 -4.347 -3.232 5.167 1.00 23.23 H new ATOM 0 HD2 LYS A 49 -4.300 -5.797 6.823 1.00 73.00 H new ATOM 0 HD3 LYS A 49 -3.614 -4.300 7.421 1.00 73.00 H new ATOM 0 HE2 LYS A 49 -5.760 -3.141 7.171 1.00 35.14 H new ATOM 0 HE3 LYS A 49 -6.467 -4.530 6.369 1.00 35.14 H new ATOM 0 HZ1 LYS A 49 -7.186 -4.368 8.637 1.00 12.22 H new ATOM 0 HZ2 LYS A 49 -6.269 -5.780 8.420 1.00 12.22 H new ATOM 0 HZ3 LYS A 49 -5.585 -4.434 9.196 1.00 12.22 H new ATOM 851 N THR A 50 -3.559 -5.107 1.310 1.00 43.43 N ATOM 852 CA THR A 50 -2.794 -4.513 0.213 1.00 41.53 C ATOM 853 C THR A 50 -3.165 -3.056 -0.060 1.00 0.41 C ATOM 854 O THR A 50 -2.326 -2.307 -0.554 1.00 14.51 O ATOM 855 CB THR A 50 -2.860 -5.414 -1.028 1.00 52.40 C ATOM 856 OG1 THR A 50 -4.191 -5.795 -1.326 1.00 53.53 O ATOM 857 CG2 THR A 50 -2.058 -6.695 -0.798 1.00 71.41 C ATOM 0 H THR A 50 -4.563 -5.151 1.133 1.00 43.43 H new ATOM 0 HA THR A 50 -1.749 -4.462 0.520 1.00 41.53 H new ATOM 0 HB THR A 50 -2.448 -4.838 -1.857 1.00 52.40 H new ATOM 0 HG1 THR A 50 -4.197 -6.366 -2.122 1.00 53.53 H new ATOM 0 HG21 THR A 50 -2.114 -7.324 -1.687 1.00 71.41 H new ATOM 0 HG22 THR A 50 -1.017 -6.442 -0.598 1.00 71.41 H new ATOM 0 HG23 THR A 50 -2.470 -7.234 0.055 1.00 71.41 H new ATOM 865 N LYS A 51 -4.399 -2.627 0.213 1.00 54.11 N ATOM 866 CA LYS A 51 -4.827 -1.241 0.007 1.00 14.22 C ATOM 867 C LYS A 51 -4.459 -0.415 1.245 1.00 23.41 C ATOM 868 O LYS A 51 -4.781 -0.823 2.364 1.00 43.54 O ATOM 869 CB LYS A 51 -6.347 -1.204 -0.186 1.00 22.31 C ATOM 870 CG LYS A 51 -6.852 -1.612 -1.576 1.00 75.40 C ATOM 871 CD LYS A 51 -8.337 -1.988 -1.482 1.00 32.41 C ATOM 872 CE LYS A 51 -9.073 -1.870 -2.818 1.00 3.14 C ATOM 873 NZ LYS A 51 -10.487 -2.288 -2.696 1.00 1.34 N ATOM 0 H LYS A 51 -5.132 -3.232 0.584 1.00 54.11 H new ATOM 0 HA LYS A 51 -4.334 -0.830 -0.874 1.00 14.22 H new ATOM 0 HB2 LYS A 51 -6.805 -1.861 0.554 1.00 22.31 H new ATOM 0 HB3 LYS A 51 -6.697 -0.194 0.025 1.00 22.31 H new ATOM 0 HG2 LYS A 51 -6.716 -0.792 -2.281 1.00 75.40 H new ATOM 0 HG3 LYS A 51 -6.274 -2.456 -1.953 1.00 75.40 H new ATOM 0 HD2 LYS A 51 -8.424 -3.011 -1.116 1.00 32.41 H new ATOM 0 HD3 LYS A 51 -8.823 -1.344 -0.749 1.00 32.41 H new ATOM 0 HE2 LYS A 51 -9.026 -0.840 -3.171 1.00 3.14 H new ATOM 0 HE3 LYS A 51 -8.573 -2.486 -3.566 1.00 3.14 H new ATOM 0 HZ1 LYS A 51 -11.060 -1.786 -3.404 1.00 1.34 H new ATOM 0 HZ2 LYS A 51 -10.561 -3.313 -2.855 1.00 1.34 H new ATOM 0 HZ3 LYS A 51 -10.836 -2.059 -1.743 1.00 1.34 H new ATOM 887 N PHE A 52 -3.834 0.752 1.073 1.00 31.34 N ATOM 888 CA PHE A 52 -3.438 1.638 2.168 1.00 72.14 C ATOM 889 C PHE A 52 -3.837 3.082 1.841 1.00 34.25 C ATOM 890 O PHE A 52 -4.031 3.438 0.675 1.00 63.42 O ATOM 891 CB PHE A 52 -1.926 1.537 2.442 1.00 24.11 C ATOM 892 CG PHE A 52 -1.445 0.246 3.086 1.00 14.12 C ATOM 893 CD1 PHE A 52 -1.384 -0.938 2.331 1.00 24.14 C ATOM 894 CD2 PHE A 52 -1.013 0.231 4.425 1.00 22.34 C ATOM 895 CE1 PHE A 52 -0.969 -2.143 2.919 1.00 61.24 C ATOM 896 CE2 PHE A 52 -0.585 -0.975 5.012 1.00 52.11 C ATOM 897 CZ PHE A 52 -0.596 -2.169 4.271 1.00 40.45 C ATOM 0 H PHE A 52 -3.585 1.113 0.152 1.00 31.34 H new ATOM 0 HA PHE A 52 -3.959 1.326 3.073 1.00 72.14 H new ATOM 0 HB2 PHE A 52 -1.397 1.666 1.498 1.00 24.11 H new ATOM 0 HB3 PHE A 52 -1.638 2.369 3.085 1.00 24.11 H new ATOM 0 HD1 PHE A 52 -1.660 -0.920 1.287 1.00 24.14 H new ATOM 0 HD2 PHE A 52 -1.010 1.144 5.002 1.00 22.34 H new ATOM 0 HE1 PHE A 52 -0.937 -3.049 2.332 1.00 61.24 H new ATOM 0 HE2 PHE A 52 -0.246 -0.983 6.037 1.00 52.11 H new ATOM 0 HZ PHE A 52 -0.319 -3.102 4.740 1.00 40.45 H new ATOM 907 N LEU A 53 -3.938 3.918 2.883 1.00 51.24 N ATOM 908 CA LEU A 53 -4.297 5.334 2.806 1.00 50.30 C ATOM 909 C LEU A 53 -3.200 6.127 3.502 1.00 43.44 C ATOM 910 O LEU A 53 -3.068 6.082 4.739 1.00 63.41 O ATOM 911 CB LEU A 53 -5.667 5.620 3.446 1.00 51.10 C ATOM 912 CG LEU A 53 -6.854 5.090 2.638 1.00 2.24 C ATOM 913 CD1 LEU A 53 -8.096 4.989 3.532 1.00 52.11 C ATOM 914 CD2 LEU A 53 -7.194 5.894 1.389 1.00 13.45 C ATOM 0 H LEU A 53 -3.764 3.610 3.840 1.00 51.24 H new ATOM 0 HA LEU A 53 -4.383 5.629 1.760 1.00 50.30 H new ATOM 0 HB2 LEU A 53 -5.691 5.177 4.441 1.00 51.10 H new ATOM 0 HB3 LEU A 53 -5.779 6.697 3.574 1.00 51.10 H new ATOM 0 HG LEU A 53 -6.541 4.108 2.284 1.00 2.24 H new ATOM 0 HD11 LEU A 53 -8.935 4.611 2.948 1.00 52.11 H new ATOM 0 HD12 LEU A 53 -7.894 4.309 4.360 1.00 52.11 H new ATOM 0 HD13 LEU A 53 -8.343 5.975 3.925 1.00 52.11 H new ATOM 0 HD21 LEU A 53 -8.048 5.440 0.885 1.00 13.45 H new ATOM 0 HD22 LEU A 53 -7.441 6.917 1.671 1.00 13.45 H new ATOM 0 HD23 LEU A 53 -6.337 5.900 0.716 1.00 13.45 H new ATOM 926 N VAL A 54 -2.424 6.852 2.694 1.00 70.43 N ATOM 927 CA VAL A 54 -1.315 7.662 3.203 1.00 74.42 C ATOM 928 C VAL A 54 -1.686 9.135 3.026 1.00 4.40 C ATOM 929 O VAL A 54 -2.176 9.477 1.954 1.00 21.04 O ATOM 930 CB VAL A 54 -0.031 7.307 2.432 1.00 30.13 C ATOM 931 CG1 VAL A 54 1.176 8.107 2.924 1.00 72.32 C ATOM 932 CG2 VAL A 54 0.223 5.789 2.433 1.00 32.20 C ATOM 0 H VAL A 54 -2.543 6.895 1.682 1.00 70.43 H new ATOM 0 HA VAL A 54 -1.134 7.465 4.260 1.00 74.42 H new ATOM 0 HB VAL A 54 -0.182 7.600 1.393 1.00 30.13 H new ATOM 0 HG11 VAL A 54 2.059 7.823 2.351 1.00 72.32 H new ATOM 0 HG12 VAL A 54 0.985 9.172 2.792 1.00 72.32 H new ATOM 0 HG13 VAL A 54 1.346 7.897 3.980 1.00 72.32 H new ATOM 0 HG21 VAL A 54 1.137 5.573 1.880 1.00 32.20 H new ATOM 0 HG22 VAL A 54 0.328 5.438 3.460 1.00 32.20 H new ATOM 0 HG23 VAL A 54 -0.616 5.279 1.960 1.00 32.20 H new ATOM 942 N PRO A 55 -1.544 10.016 4.028 1.00 10.44 N ATOM 943 CA PRO A 55 -1.881 11.421 3.849 1.00 53.34 C ATOM 944 C PRO A 55 -0.983 12.064 2.803 1.00 12.33 C ATOM 945 O PRO A 55 0.212 11.777 2.774 1.00 22.43 O ATOM 946 CB PRO A 55 -1.670 12.114 5.191 1.00 51.13 C ATOM 947 CG PRO A 55 -1.270 11.019 6.167 1.00 11.53 C ATOM 948 CD PRO A 55 -0.998 9.764 5.346 1.00 63.24 C ATOM 0 HA PRO A 55 -2.913 11.515 3.510 1.00 53.34 H new ATOM 0 HB2 PRO A 55 -0.894 12.876 5.119 1.00 51.13 H new ATOM 0 HB3 PRO A 55 -2.580 12.616 5.519 1.00 51.13 H new ATOM 0 HG2 PRO A 55 -0.384 11.310 6.730 1.00 11.53 H new ATOM 0 HG3 PRO A 55 -2.064 10.840 6.892 1.00 11.53 H new ATOM 0 HD2 PRO A 55 0.071 9.559 5.292 1.00 63.24 H new ATOM 0 HD3 PRO A 55 -1.467 8.892 5.801 1.00 63.24 H new ATOM 956 N ASP A 56 -1.527 12.980 1.998 1.00 22.32 N ATOM 957 CA ASP A 56 -0.727 13.664 0.975 1.00 65.12 C ATOM 958 C ASP A 56 0.395 14.491 1.624 1.00 61.02 C ATOM 959 O ASP A 56 1.423 14.748 1.002 1.00 61.11 O ATOM 960 CB ASP A 56 -1.609 14.539 0.060 1.00 4.21 C ATOM 961 CG ASP A 56 -1.609 16.024 0.454 1.00 14.32 C ATOM 962 OD1 ASP A 56 -2.101 16.351 1.560 1.00 45.21 O ATOM 963 OD2 ASP A 56 -1.107 16.868 -0.319 1.00 30.44 O ATOM 0 H ASP A 56 -2.506 13.264 2.032 1.00 22.32 H new ATOM 0 HA ASP A 56 -0.265 12.902 0.347 1.00 65.12 H new ATOM 0 HB2 ASP A 56 -1.260 14.443 -0.968 1.00 4.21 H new ATOM 0 HB3 ASP A 56 -2.632 14.163 0.086 1.00 4.21 H new ATOM 968 N HIS A 57 0.223 14.863 2.895 1.00 10.42 N ATOM 969 CA HIS A 57 1.165 15.647 3.671 1.00 3.11 C ATOM 970 C HIS A 57 2.262 14.790 4.332 1.00 42.11 C ATOM 971 O HIS A 57 3.185 15.369 4.912 1.00 45.43 O ATOM 972 CB HIS A 57 0.372 16.489 4.693 1.00 23.30 C ATOM 973 CG HIS A 57 0.064 15.808 6.001 1.00 42.22 C ATOM 974 ND1 HIS A 57 -1.112 15.188 6.356 1.00 43.53 N ATOM 975 CD2 HIS A 57 0.897 15.768 7.086 1.00 72.03 C ATOM 976 CE1 HIS A 57 -0.964 14.739 7.610 1.00 32.13 C ATOM 977 NE2 HIS A 57 0.246 15.060 8.093 1.00 22.24 N ATOM 0 H HIS A 57 -0.612 14.612 3.425 1.00 10.42 H new ATOM 0 HA HIS A 57 1.709 16.312 3.000 1.00 3.11 H new ATOM 0 HB2 HIS A 57 0.935 17.399 4.902 1.00 23.30 H new ATOM 0 HB3 HIS A 57 -0.568 16.794 4.233 1.00 23.30 H new ATOM 0 HD2 HIS A 57 1.882 16.207 7.150 1.00 72.03 H new ATOM 0 HE1 HIS A 57 -1.717 14.192 8.158 1.00 32.13 H new ATOM 0 HE2 HIS A 57 0.616 14.831 9.016 1.00 22.24 H new ATOM 985 N VAL A 58 2.198 13.452 4.263 1.00 44.32 N ATOM 986 CA VAL A 58 3.174 12.555 4.871 1.00 65.14 C ATOM 987 C VAL A 58 4.252 12.064 3.894 1.00 63.44 C ATOM 988 O VAL A 58 3.999 11.656 2.753 1.00 23.40 O ATOM 989 CB VAL A 58 2.402 11.428 5.600 1.00 1.12 C ATOM 990 CG1 VAL A 58 2.990 10.019 5.474 1.00 30.10 C ATOM 991 CG2 VAL A 58 2.274 11.792 7.087 1.00 70.41 C ATOM 0 H VAL A 58 1.450 12.961 3.773 1.00 44.32 H new ATOM 0 HA VAL A 58 3.763 13.102 5.607 1.00 65.14 H new ATOM 0 HB VAL A 58 1.436 11.374 5.098 1.00 1.12 H new ATOM 0 HG11 VAL A 58 2.367 9.314 6.024 1.00 30.10 H new ATOM 0 HG12 VAL A 58 3.023 9.731 4.423 1.00 30.10 H new ATOM 0 HG13 VAL A 58 3.999 10.008 5.885 1.00 30.10 H new ATOM 0 HG21 VAL A 58 1.731 11.004 7.609 1.00 70.41 H new ATOM 0 HG22 VAL A 58 3.268 11.898 7.522 1.00 70.41 H new ATOM 0 HG23 VAL A 58 1.732 12.733 7.186 1.00 70.41 H new ATOM 1001 N ASN A 59 5.490 12.079 4.391 1.00 11.03 N ATOM 1002 CA ASN A 59 6.688 11.638 3.694 1.00 72.31 C ATOM 1003 C ASN A 59 6.888 10.136 3.833 1.00 50.05 C ATOM 1004 O ASN A 59 6.502 9.516 4.841 1.00 45.22 O ATOM 1005 CB ASN A 59 7.952 12.351 4.216 1.00 65.14 C ATOM 1006 CG ASN A 59 8.200 12.338 5.716 1.00 42.05 C ATOM 1007 OD1 ASN A 59 7.542 11.500 6.486 1.00 30.43 O flip ATOM 1008 ND2 ASN A 59 9.064 13.037 6.226 1.00 63.42 N flip ATOM 0 H ASN A 59 5.688 12.415 5.333 1.00 11.03 H new ATOM 0 HA ASN A 59 6.541 11.894 2.645 1.00 72.31 H new ATOM 0 HB2 ASN A 59 8.817 11.901 3.729 1.00 65.14 H new ATOM 0 HB3 ASN A 59 7.909 13.391 3.892 1.00 65.14 H new ATOM 0 HD21 ASN A 59 9.591 13.696 5.653 1.00 63.42 H new ATOM 0 HD22 ASN A 59 9.258 12.961 7.224 1.00 63.42 H new ATOM 1015 N MET A 60 7.621 9.588 2.857 1.00 22.54 N ATOM 1016 CA MET A 60 7.928 8.166 2.820 1.00 13.43 C ATOM 1017 C MET A 60 8.629 7.756 4.116 1.00 50.05 C ATOM 1018 O MET A 60 8.379 6.664 4.595 1.00 1.04 O ATOM 1019 CB MET A 60 8.770 7.771 1.593 1.00 43.03 C ATOM 1020 CG MET A 60 8.184 8.175 0.231 1.00 22.43 C ATOM 1021 SD MET A 60 6.440 7.763 -0.062 1.00 70.41 S ATOM 1022 CE MET A 60 6.625 6.058 -0.638 1.00 21.22 C ATOM 0 H MET A 60 8.012 10.119 2.079 1.00 22.54 H new ATOM 0 HA MET A 60 6.984 7.628 2.730 1.00 13.43 H new ATOM 0 HB2 MET A 60 9.758 8.221 1.692 1.00 43.03 H new ATOM 0 HB3 MET A 60 8.910 6.690 1.603 1.00 43.03 H new ATOM 0 HG2 MET A 60 8.303 9.252 0.116 1.00 22.43 H new ATOM 0 HG3 MET A 60 8.781 7.703 -0.550 1.00 22.43 H new ATOM 0 HE1 MET A 60 5.641 5.602 -0.748 1.00 21.22 H new ATOM 0 HE2 MET A 60 7.137 6.053 -1.600 1.00 21.22 H new ATOM 0 HE3 MET A 60 7.209 5.490 0.087 1.00 21.22 H new ATOM 1032 N SER A 61 9.413 8.635 4.743 1.00 5.41 N ATOM 1033 CA SER A 61 10.146 8.387 5.975 1.00 70.21 C ATOM 1034 C SER A 61 9.232 7.856 7.082 1.00 45.22 C ATOM 1035 O SER A 61 9.505 6.800 7.667 1.00 52.11 O ATOM 1036 CB SER A 61 10.862 9.687 6.393 1.00 61.14 C ATOM 1037 OG SER A 61 11.799 9.451 7.429 1.00 5.43 O ATOM 0 H SER A 61 9.557 9.579 4.386 1.00 5.41 H new ATOM 0 HA SER A 61 10.889 7.609 5.803 1.00 70.21 H new ATOM 0 HB2 SER A 61 11.371 10.117 5.531 1.00 61.14 H new ATOM 0 HB3 SER A 61 10.126 10.419 6.726 1.00 61.14 H new ATOM 0 HG SER A 61 12.238 10.293 7.671 1.00 5.43 H new ATOM 1043 N GLU A 62 8.209 8.620 7.464 1.00 21.34 N ATOM 1044 CA GLU A 62 7.293 8.194 8.513 1.00 54.42 C ATOM 1045 C GLU A 62 6.415 7.034 8.034 1.00 10.14 C ATOM 1046 O GLU A 62 6.211 6.100 8.816 1.00 41.41 O ATOM 1047 CB GLU A 62 6.574 9.376 9.169 1.00 53.22 C ATOM 1048 CG GLU A 62 5.336 9.891 8.445 1.00 64.15 C ATOM 1049 CD GLU A 62 4.069 9.236 8.984 1.00 52.44 C ATOM 1050 OE1 GLU A 62 3.628 9.639 10.086 1.00 50.45 O ATOM 1051 OE2 GLU A 62 3.576 8.303 8.331 1.00 5.43 O ATOM 0 H GLU A 62 7.997 9.533 7.062 1.00 21.34 H new ATOM 0 HA GLU A 62 7.861 7.773 9.343 1.00 54.42 H new ATOM 0 HB2 GLU A 62 6.285 9.085 10.179 1.00 53.22 H new ATOM 0 HB3 GLU A 62 7.283 10.199 9.265 1.00 53.22 H new ATOM 0 HG2 GLU A 62 5.267 10.973 8.561 1.00 64.15 H new ATOM 0 HG3 GLU A 62 5.426 9.690 7.377 1.00 64.15 H new ATOM 1058 N LEU A 63 5.986 7.046 6.752 1.00 52.11 N ATOM 1059 CA LEU A 63 5.162 5.958 6.230 1.00 31.12 C ATOM 1060 C LEU A 63 5.929 4.633 6.397 1.00 62.51 C ATOM 1061 O LEU A 63 5.417 3.674 6.983 1.00 71.12 O ATOM 1062 CB LEU A 63 4.736 6.250 4.767 1.00 12.23 C ATOM 1063 CG LEU A 63 4.493 4.992 3.913 1.00 32.30 C ATOM 1064 CD1 LEU A 63 3.409 4.061 4.473 1.00 13.12 C ATOM 1065 CD2 LEU A 63 4.096 5.433 2.510 1.00 50.21 C ATOM 0 H LEU A 63 6.196 7.784 6.081 1.00 52.11 H new ATOM 0 HA LEU A 63 4.233 5.873 6.793 1.00 31.12 H new ATOM 0 HB2 LEU A 63 3.825 6.848 4.779 1.00 12.23 H new ATOM 0 HB3 LEU A 63 5.508 6.855 4.290 1.00 12.23 H new ATOM 0 HG LEU A 63 5.420 4.419 3.915 1.00 32.30 H new ATOM 0 HD11 LEU A 63 3.296 3.198 3.817 1.00 13.12 H new ATOM 0 HD12 LEU A 63 3.698 3.724 5.469 1.00 13.12 H new ATOM 0 HD13 LEU A 63 2.463 4.599 4.532 1.00 13.12 H new ATOM 0 HD21 LEU A 63 3.919 4.555 1.889 1.00 50.21 H new ATOM 0 HD22 LEU A 63 3.186 6.031 2.560 1.00 50.21 H new ATOM 0 HD23 LEU A 63 4.898 6.029 2.075 1.00 50.21 H new ATOM 1077 N ILE A 64 7.171 4.584 5.909 1.00 45.05 N ATOM 1078 CA ILE A 64 8.083 3.448 5.970 1.00 14.22 C ATOM 1079 C ILE A 64 8.221 3.026 7.429 1.00 71.41 C ATOM 1080 O ILE A 64 8.070 1.847 7.729 1.00 22.51 O ATOM 1081 CB ILE A 64 9.450 3.815 5.326 1.00 24.50 C ATOM 1082 CG1 ILE A 64 9.361 3.774 3.781 1.00 43.01 C ATOM 1083 CG2 ILE A 64 10.555 2.850 5.787 1.00 3.40 C ATOM 1084 CD1 ILE A 64 10.486 4.552 3.079 1.00 61.31 C ATOM 0 H ILE A 64 7.587 5.385 5.434 1.00 45.05 H new ATOM 0 HA ILE A 64 7.691 2.606 5.399 1.00 14.22 H new ATOM 0 HB ILE A 64 9.698 4.826 5.649 1.00 24.50 H new ATOM 0 HG12 ILE A 64 9.388 2.735 3.451 1.00 43.01 H new ATOM 0 HG13 ILE A 64 8.399 4.182 3.470 1.00 43.01 H new ATOM 0 HG21 ILE A 64 11.500 3.130 5.321 1.00 3.40 H new ATOM 0 HG22 ILE A 64 10.655 2.903 6.871 1.00 3.40 H new ATOM 0 HG23 ILE A 64 10.294 1.833 5.496 1.00 3.40 H new ATOM 0 HD11 ILE A 64 10.359 4.479 1.999 1.00 61.31 H new ATOM 0 HD12 ILE A 64 10.447 5.599 3.379 1.00 61.31 H new ATOM 0 HD13 ILE A 64 11.451 4.130 3.360 1.00 61.31 H new ATOM 1096 N LYS A 65 8.482 3.959 8.350 1.00 4.34 N ATOM 1097 CA LYS A 65 8.644 3.651 9.768 1.00 5.13 C ATOM 1098 C LYS A 65 7.447 2.863 10.307 1.00 63.11 C ATOM 1099 O LYS A 65 7.650 1.822 10.941 1.00 73.42 O ATOM 1100 CB LYS A 65 8.838 4.977 10.526 1.00 34.33 C ATOM 1101 CG LYS A 65 8.859 4.832 12.050 1.00 25.11 C ATOM 1102 CD LYS A 65 8.424 6.122 12.778 1.00 65.53 C ATOM 1103 CE LYS A 65 6.911 6.386 12.657 1.00 64.42 C ATOM 1104 NZ LYS A 65 6.497 7.676 13.252 1.00 74.43 N ATOM 0 H LYS A 65 8.586 4.949 8.129 1.00 4.34 H new ATOM 0 HA LYS A 65 9.518 3.016 9.913 1.00 5.13 H new ATOM 0 HB2 LYS A 65 9.774 5.434 10.203 1.00 34.33 H new ATOM 0 HB3 LYS A 65 8.037 5.662 10.248 1.00 34.33 H new ATOM 0 HG2 LYS A 65 8.199 4.015 12.342 1.00 25.11 H new ATOM 0 HG3 LYS A 65 9.865 4.560 12.371 1.00 25.11 H new ATOM 0 HD2 LYS A 65 8.694 6.049 13.832 1.00 65.53 H new ATOM 0 HD3 LYS A 65 8.972 6.970 12.366 1.00 65.53 H new ATOM 0 HE2 LYS A 65 6.629 6.371 11.604 1.00 64.42 H new ATOM 0 HE3 LYS A 65 6.367 5.577 13.144 1.00 64.42 H new ATOM 0 HZ1 LYS A 65 5.470 7.796 13.140 1.00 74.43 H new ATOM 0 HZ2 LYS A 65 6.738 7.685 14.264 1.00 74.43 H new ATOM 0 HZ3 LYS A 65 6.992 8.455 12.771 1.00 74.43 H new ATOM 1118 N ILE A 66 6.223 3.336 10.077 1.00 44.31 N ATOM 1119 CA ILE A 66 5.001 2.681 10.550 1.00 71.15 C ATOM 1120 C ILE A 66 4.881 1.298 9.910 1.00 23.43 C ATOM 1121 O ILE A 66 4.568 0.310 10.586 1.00 5.32 O ATOM 1122 CB ILE A 66 3.807 3.632 10.311 1.00 50.53 C ATOM 1123 CG1 ILE A 66 3.916 4.739 11.380 1.00 22.10 C ATOM 1124 CG2 ILE A 66 2.441 2.937 10.427 1.00 71.35 C ATOM 1125 CD1 ILE A 66 3.148 6.017 11.067 1.00 42.42 C ATOM 0 H ILE A 66 6.048 4.193 9.552 1.00 44.31 H new ATOM 0 HA ILE A 66 5.022 2.492 11.623 1.00 71.15 H new ATOM 0 HB ILE A 66 3.857 4.018 9.293 1.00 50.53 H new ATOM 0 HG12 ILE A 66 3.558 4.342 12.330 1.00 22.10 H new ATOM 0 HG13 ILE A 66 4.968 4.990 11.515 1.00 22.10 H new ATOM 0 HG21 ILE A 66 1.647 3.662 10.248 1.00 71.35 H new ATOM 0 HG22 ILE A 66 2.376 2.138 9.689 1.00 71.35 H new ATOM 0 HG23 ILE A 66 2.330 2.517 11.427 1.00 71.35 H new ATOM 0 HD11 ILE A 66 3.287 6.733 11.877 1.00 42.42 H new ATOM 0 HD12 ILE A 66 3.519 6.446 10.136 1.00 42.42 H new ATOM 0 HD13 ILE A 66 2.087 5.788 10.963 1.00 42.42 H new ATOM 1137 N ILE A 67 5.169 1.194 8.617 1.00 45.14 N ATOM 1138 CA ILE A 67 5.118 -0.075 7.916 1.00 73.32 C ATOM 1139 C ILE A 67 6.142 -1.022 8.553 1.00 42.15 C ATOM 1140 O ILE A 67 5.816 -2.178 8.798 1.00 34.10 O ATOM 1141 CB ILE A 67 5.267 0.187 6.397 1.00 71.54 C ATOM 1142 CG1 ILE A 67 3.886 0.193 5.700 1.00 50.33 C ATOM 1143 CG2 ILE A 67 6.184 -0.811 5.676 1.00 12.13 C ATOM 1144 CD1 ILE A 67 2.819 1.076 6.372 1.00 61.15 C ATOM 0 H ILE A 67 5.442 1.984 8.032 1.00 45.14 H new ATOM 0 HA ILE A 67 4.160 -0.586 8.015 1.00 73.32 H new ATOM 0 HB ILE A 67 5.738 1.167 6.324 1.00 71.54 H new ATOM 0 HG12 ILE A 67 4.017 0.528 4.671 1.00 50.33 H new ATOM 0 HG13 ILE A 67 3.514 -0.831 5.657 1.00 50.33 H new ATOM 0 HG21 ILE A 67 6.235 -0.558 4.617 1.00 12.13 H new ATOM 0 HG22 ILE A 67 7.183 -0.765 6.109 1.00 12.13 H new ATOM 0 HG23 ILE A 67 5.785 -1.819 5.790 1.00 12.13 H new ATOM 0 HD11 ILE A 67 1.888 1.013 5.809 1.00 61.15 H new ATOM 0 HD12 ILE A 67 2.651 0.731 7.392 1.00 61.15 H new ATOM 0 HD13 ILE A 67 3.162 2.110 6.391 1.00 61.15 H new ATOM 1156 N ARG A 68 7.357 -0.576 8.895 1.00 63.45 N ATOM 1157 CA ARG A 68 8.354 -1.452 9.500 1.00 42.13 C ATOM 1158 C ARG A 68 7.928 -1.879 10.900 1.00 34.12 C ATOM 1159 O ARG A 68 8.292 -2.975 11.335 1.00 51.31 O ATOM 1160 CB ARG A 68 9.686 -0.712 9.510 1.00 30.42 C ATOM 1161 CG ARG A 68 10.262 -0.575 8.101 1.00 53.03 C ATOM 1162 CD ARG A 68 11.601 0.154 8.165 1.00 12.04 C ATOM 1163 NE ARG A 68 12.692 -0.817 8.209 1.00 11.43 N ATOM 1164 CZ ARG A 68 13.975 -0.531 8.439 1.00 31.12 C ATOM 1165 NH1 ARG A 68 14.353 0.735 8.565 1.00 74.12 N ATOM 1166 NH2 ARG A 68 14.858 -1.522 8.535 1.00 32.14 N ATOM 0 H ARG A 68 7.668 0.386 8.761 1.00 63.45 H new ATOM 0 HA ARG A 68 8.455 -2.369 8.920 1.00 42.13 H new ATOM 0 HB2 ARG A 68 9.550 0.278 9.946 1.00 30.42 H new ATOM 0 HB3 ARG A 68 10.395 -1.245 10.144 1.00 30.42 H new ATOM 0 HG2 ARG A 68 10.394 -1.560 7.654 1.00 53.03 H new ATOM 0 HG3 ARG A 68 9.568 -0.026 7.465 1.00 53.03 H new ATOM 0 HD2 ARG A 68 11.714 0.803 7.296 1.00 12.04 H new ATOM 0 HD3 ARG A 68 11.635 0.794 9.047 1.00 12.04 H new ATOM 0 HE ARG A 68 12.453 -1.796 8.051 1.00 11.43 H new ATOM 0 HH11 ARG A 68 13.664 1.483 8.486 1.00 74.12 H new ATOM 0 HH12 ARG A 68 15.332 0.960 8.741 1.00 74.12 H new ATOM 0 HH21 ARG A 68 14.552 -2.490 8.433 1.00 32.14 H new ATOM 0 HH22 ARG A 68 15.841 -1.314 8.711 1.00 32.14 H new ATOM 1180 N ARG A 69 7.136 -1.044 11.585 1.00 73.53 N ATOM 1181 CA ARG A 69 6.623 -1.316 12.918 1.00 2.40 C ATOM 1182 C ARG A 69 5.722 -2.538 12.851 1.00 53.03 C ATOM 1183 O ARG A 69 5.971 -3.520 13.549 1.00 50.45 O ATOM 1184 CB ARG A 69 5.825 -0.105 13.442 1.00 72.55 C ATOM 1185 CG ARG A 69 5.576 -0.195 14.954 1.00 22.52 C ATOM 1186 CD ARG A 69 6.677 0.490 15.757 1.00 64.34 C ATOM 1187 NE ARG A 69 6.665 1.952 15.596 1.00 25.42 N ATOM 1188 CZ ARG A 69 7.615 2.766 16.063 1.00 65.22 C ATOM 1189 NH1 ARG A 69 8.680 2.268 16.679 1.00 73.32 N ATOM 1190 NH2 ARG A 69 7.475 4.077 15.918 1.00 73.13 N ATOM 0 H ARG A 69 6.832 -0.144 11.213 1.00 73.53 H new ATOM 0 HA ARG A 69 7.454 -1.501 13.599 1.00 2.40 H new ATOM 0 HB2 ARG A 69 6.369 0.813 13.218 1.00 72.55 H new ATOM 0 HB3 ARG A 69 4.870 -0.046 12.920 1.00 72.55 H new ATOM 0 HG2 ARG A 69 4.616 0.263 15.191 1.00 22.52 H new ATOM 0 HG3 ARG A 69 5.511 -1.242 15.249 1.00 22.52 H new ATOM 0 HD2 ARG A 69 6.560 0.243 16.812 1.00 64.34 H new ATOM 0 HD3 ARG A 69 7.646 0.101 15.444 1.00 64.34 H new ATOM 0 HE ARG A 69 5.881 2.371 15.096 1.00 25.42 H new ATOM 0 HH11 ARG A 69 8.775 1.259 16.797 1.00 73.32 H new ATOM 0 HH12 ARG A 69 9.403 2.894 17.034 1.00 73.32 H new ATOM 0 HH21 ARG A 69 6.648 4.453 15.454 1.00 73.13 H new ATOM 0 HH22 ARG A 69 8.194 4.709 16.271 1.00 73.13 H new ATOM 1204 N ARG A 70 4.662 -2.485 12.039 1.00 50.14 N ATOM 1205 CA ARG A 70 3.737 -3.612 11.924 1.00 71.42 C ATOM 1206 C ARG A 70 4.364 -4.810 11.224 1.00 42.55 C ATOM 1207 O ARG A 70 4.019 -5.930 11.572 1.00 71.14 O ATOM 1208 CB ARG A 70 2.408 -3.208 11.281 1.00 13.14 C ATOM 1209 CG ARG A 70 2.528 -2.465 9.943 1.00 44.53 C ATOM 1210 CD ARG A 70 1.584 -3.028 8.870 1.00 24.01 C ATOM 1211 NE ARG A 70 0.191 -3.175 9.321 1.00 3.14 N ATOM 1212 CZ ARG A 70 -0.793 -2.276 9.190 1.00 70.22 C ATOM 1213 NH1 ARG A 70 -0.528 -1.074 8.690 1.00 52.14 N ATOM 1214 NH2 ARG A 70 -2.032 -2.552 9.571 1.00 44.32 N ATOM 0 H ARG A 70 4.426 -1.681 11.457 1.00 50.14 H new ATOM 0 HA ARG A 70 3.513 -3.927 12.943 1.00 71.42 H new ATOM 0 HB2 ARG A 70 1.809 -4.106 11.127 1.00 13.14 H new ATOM 0 HB3 ARG A 70 1.861 -2.576 11.981 1.00 13.14 H new ATOM 0 HG2 ARG A 70 2.309 -1.408 10.097 1.00 44.53 H new ATOM 0 HG3 ARG A 70 3.556 -2.528 9.587 1.00 44.53 H new ATOM 0 HD2 ARG A 70 1.607 -2.372 7.999 1.00 24.01 H new ATOM 0 HD3 ARG A 70 1.956 -4.000 8.547 1.00 24.01 H new ATOM 0 HE ARG A 70 -0.050 -4.053 9.781 1.00 3.14 H new ATOM 0 HH11 ARG A 70 0.423 -0.838 8.407 1.00 52.14 H new ATOM 0 HH12 ARG A 70 -1.276 -0.387 8.589 1.00 52.14 H new ATOM 0 HH21 ARG A 70 -2.251 -3.464 9.973 1.00 44.32 H new ATOM 0 HH22 ARG A 70 -2.767 -1.853 9.462 1.00 44.32 H new ATOM 1228 N LEU A 71 5.277 -4.603 10.271 1.00 2.20 N ATOM 1229 CA LEU A 71 5.933 -5.706 9.562 1.00 24.40 C ATOM 1230 C LEU A 71 6.908 -6.490 10.459 1.00 43.15 C ATOM 1231 O LEU A 71 7.350 -7.566 10.073 1.00 41.15 O ATOM 1232 CB LEU A 71 6.683 -5.180 8.324 1.00 35.10 C ATOM 1233 CG LEU A 71 6.850 -6.271 7.243 1.00 64.31 C ATOM 1234 CD1 LEU A 71 6.090 -5.860 5.987 1.00 55.25 C ATOM 1235 CD2 LEU A 71 8.314 -6.526 6.871 1.00 54.45 C ATOM 0 H LEU A 71 5.580 -3.676 9.971 1.00 2.20 H new ATOM 0 HA LEU A 71 5.144 -6.392 9.254 1.00 24.40 H new ATOM 0 HB2 LEU A 71 6.140 -4.333 7.904 1.00 35.10 H new ATOM 0 HB3 LEU A 71 7.665 -4.813 8.623 1.00 35.10 H new ATOM 0 HG LEU A 71 6.451 -7.195 7.662 1.00 64.31 H new ATOM 0 HD11 LEU A 71 6.207 -6.629 5.223 1.00 55.25 H new ATOM 0 HD12 LEU A 71 5.033 -5.742 6.224 1.00 55.25 H new ATOM 0 HD13 LEU A 71 6.486 -4.915 5.615 1.00 55.25 H new ATOM 0 HD21 LEU A 71 8.366 -7.302 6.108 1.00 54.45 H new ATOM 0 HD22 LEU A 71 8.757 -5.608 6.485 1.00 54.45 H new ATOM 0 HD23 LEU A 71 8.863 -6.850 7.755 1.00 54.45 H new ATOM 1247 N GLN A 72 7.282 -5.941 11.626 1.00 54.42 N ATOM 1248 CA GLN A 72 8.191 -6.533 12.615 1.00 33.42 C ATOM 1249 C GLN A 72 9.479 -7.095 11.982 1.00 14.14 C ATOM 1250 O GLN A 72 9.991 -8.134 12.401 1.00 5.44 O ATOM 1251 CB GLN A 72 7.429 -7.533 13.514 1.00 23.22 C ATOM 1252 CG GLN A 72 6.200 -6.872 14.149 1.00 50.23 C ATOM 1253 CD GLN A 72 5.564 -7.697 15.255 1.00 12.22 C ATOM 1254 OE1 GLN A 72 5.320 -8.895 15.137 1.00 61.14 O ATOM 1255 NE2 GLN A 72 5.238 -7.061 16.366 1.00 51.31 N ATOM 0 H GLN A 72 6.940 -5.026 11.918 1.00 54.42 H new ATOM 0 HA GLN A 72 8.551 -5.740 13.270 1.00 33.42 H new ATOM 0 HB2 GLN A 72 7.119 -8.395 12.924 1.00 23.22 H new ATOM 0 HB3 GLN A 72 8.092 -7.904 14.296 1.00 23.22 H new ATOM 0 HG2 GLN A 72 6.489 -5.901 14.552 1.00 50.23 H new ATOM 0 HG3 GLN A 72 5.457 -6.687 13.373 1.00 50.23 H new ATOM 0 HE21 GLN A 72 5.441 -6.066 16.463 1.00 51.31 H new ATOM 0 HE22 GLN A 72 4.783 -7.565 17.127 1.00 51.31 H new ATOM 1264 N LEU A 73 10.006 -6.400 10.963 1.00 22.22 N ATOM 1265 CA LEU A 73 11.219 -6.813 10.258 1.00 12.31 C ATOM 1266 C LEU A 73 12.453 -6.772 11.166 1.00 22.43 C ATOM 1267 O LEU A 73 12.427 -6.150 12.230 1.00 45.23 O ATOM 1268 CB LEU A 73 11.378 -6.040 8.936 1.00 44.13 C ATOM 1269 CG LEU A 73 12.279 -4.797 8.885 1.00 13.14 C ATOM 1270 CD1 LEU A 73 12.176 -4.200 7.480 1.00 75.53 C ATOM 1271 CD2 LEU A 73 11.878 -3.724 9.904 1.00 51.12 C ATOM 0 H LEU A 73 9.599 -5.535 10.607 1.00 22.22 H new ATOM 0 HA LEU A 73 11.117 -7.862 9.979 1.00 12.31 H new ATOM 0 HB2 LEU A 73 11.750 -6.743 8.191 1.00 44.13 H new ATOM 0 HB3 LEU A 73 10.382 -5.734 8.616 1.00 44.13 H new ATOM 0 HG LEU A 73 13.295 -5.109 9.130 1.00 13.14 H new ATOM 0 HD11 LEU A 73 12.807 -3.314 7.414 1.00 75.53 H new ATOM 0 HD12 LEU A 73 12.506 -4.936 6.747 1.00 75.53 H new ATOM 0 HD13 LEU A 73 11.141 -3.925 7.277 1.00 75.53 H new ATOM 0 HD21 LEU A 73 12.552 -2.871 9.819 1.00 51.12 H new ATOM 0 HD22 LEU A 73 10.856 -3.400 9.708 1.00 51.12 H new ATOM 0 HD23 LEU A 73 11.941 -4.137 10.911 1.00 51.12 H new ATOM 1283 N ASN A 74 13.536 -7.412 10.722 1.00 63.22 N ATOM 1284 CA ASN A 74 14.787 -7.507 11.449 1.00 1.31 C ATOM 1285 C ASN A 74 15.540 -6.187 11.514 1.00 23.11 C ATOM 1286 O ASN A 74 15.329 -5.281 10.711 1.00 51.05 O ATOM 1287 CB ASN A 74 15.684 -8.561 10.778 1.00 53.34 C ATOM 1288 CG ASN A 74 15.705 -9.917 11.442 1.00 15.24 C ATOM 1289 OD1 ASN A 74 15.286 -10.116 12.574 1.00 32.32 O ATOM 1290 ND2 ASN A 74 16.249 -10.894 10.754 1.00 14.10 N ATOM 0 H ASN A 74 13.560 -7.889 9.821 1.00 63.22 H new ATOM 0 HA ASN A 74 14.541 -7.791 12.472 1.00 1.31 H new ATOM 0 HB2 ASN A 74 15.357 -8.687 9.746 1.00 53.34 H new ATOM 0 HB3 ASN A 74 16.703 -8.177 10.745 1.00 53.34 H new ATOM 0 HD21 ASN A 74 16.324 -11.825 11.163 1.00 14.10 H new ATOM 0 HD22 ASN A 74 16.596 -10.722 9.811 1.00 14.10 H new ATOM 1297 N ALA A 75 16.499 -6.140 12.436 1.00 63.11 N ATOM 1298 CA ALA A 75 17.381 -5.010 12.687 1.00 71.51 C ATOM 1299 C ALA A 75 18.706 -5.249 11.968 1.00 50.13 C ATOM 1300 O ALA A 75 19.392 -4.301 11.601 1.00 3.11 O ATOM 1301 CB ALA A 75 17.619 -4.856 14.187 1.00 11.33 C ATOM 0 H ALA A 75 16.689 -6.928 13.056 1.00 63.11 H new ATOM 0 HA ALA A 75 16.921 -4.095 12.314 1.00 71.51 H new ATOM 0 HB1 ALA A 75 18.280 -4.008 14.365 1.00 11.33 H new ATOM 0 HB2 ALA A 75 16.667 -4.686 14.691 1.00 11.33 H new ATOM 0 HB3 ALA A 75 18.080 -5.763 14.577 1.00 11.33 H new ATOM 1307 N ASN A 76 19.076 -6.516 11.749 1.00 73.24 N ATOM 1308 CA ASN A 76 20.298 -6.893 11.040 1.00 32.52 C ATOM 1309 C ASN A 76 20.082 -6.800 9.526 1.00 20.13 C ATOM 1310 O ASN A 76 21.024 -7.047 8.764 1.00 23.21 O ATOM 1311 CB ASN A 76 20.751 -8.310 11.410 1.00 32.52 C ATOM 1312 CG ASN A 76 19.756 -9.366 10.957 1.00 72.43 C ATOM 1313 OD1 ASN A 76 18.976 -9.899 11.874 1.00 63.44 O flip ATOM 1314 ND2 ASN A 76 19.656 -9.696 9.779 1.00 1.31 N flip ATOM 0 H ASN A 76 18.527 -7.316 12.064 1.00 73.24 H new ATOM 0 HA ASN A 76 21.081 -6.197 11.341 1.00 32.52 H new ATOM 0 HB2 ASN A 76 21.722 -8.509 10.957 1.00 32.52 H new ATOM 0 HB3 ASN A 76 20.884 -8.377 12.490 1.00 32.52 H new ATOM 0 HD21 ASN A 76 20.266 -9.276 9.078 1.00 1.31 H new ATOM 0 HD22 ASN A 76 18.963 -10.391 9.501 1.00 1.31 H new ATOM 1321 N GLN A 77 18.851 -6.523 9.074 1.00 60.35 N ATOM 1322 CA GLN A 77 18.558 -6.400 7.656 1.00 13.12 C ATOM 1323 C GLN A 77 17.868 -5.075 7.381 1.00 34.24 C ATOM 1324 O GLN A 77 17.201 -4.520 8.259 1.00 13.11 O ATOM 1325 CB GLN A 77 17.713 -7.589 7.163 1.00 22.32 C ATOM 1326 CG GLN A 77 16.193 -7.374 7.260 1.00 35.32 C ATOM 1327 CD GLN A 77 15.417 -8.547 6.686 1.00 42.35 C ATOM 1328 OE1 GLN A 77 14.836 -9.345 7.413 1.00 72.35 O ATOM 1329 NE2 GLN A 77 15.373 -8.671 5.371 1.00 0.10 N ATOM 0 H GLN A 77 18.044 -6.381 9.681 1.00 60.35 H new ATOM 0 HA GLN A 77 19.496 -6.418 7.101 1.00 13.12 H new ATOM 0 HB2 GLN A 77 17.972 -7.797 6.125 1.00 22.32 H new ATOM 0 HB3 GLN A 77 17.980 -8.473 7.742 1.00 22.32 H new ATOM 0 HG2 GLN A 77 15.913 -7.229 8.303 1.00 35.32 H new ATOM 0 HG3 GLN A 77 15.921 -6.463 6.727 1.00 35.32 H new ATOM 0 HE21 GLN A 77 15.861 -7.999 4.779 1.00 0.10 H new ATOM 0 HE22 GLN A 77 14.851 -9.438 4.948 1.00 0.10 H new ATOM 1338 N ALA A 78 18.046 -4.570 6.168 1.00 24.14 N ATOM 1339 CA ALA A 78 17.409 -3.358 5.700 1.00 72.51 C ATOM 1340 C ALA A 78 16.370 -3.847 4.688 1.00 64.42 C ATOM 1341 O ALA A 78 16.371 -5.015 4.285 1.00 75.53 O ATOM 1342 CB ALA A 78 18.424 -2.401 5.072 1.00 23.10 C ATOM 0 H ALA A 78 18.651 -5.005 5.471 1.00 24.14 H new ATOM 0 HA ALA A 78 16.951 -2.785 6.506 1.00 72.51 H new ATOM 0 HB1 ALA A 78 17.913 -1.501 4.731 1.00 23.10 H new ATOM 0 HB2 ALA A 78 19.177 -2.132 5.813 1.00 23.10 H new ATOM 0 HB3 ALA A 78 18.907 -2.887 4.224 1.00 23.10 H new ATOM 1348 N PHE A 79 15.437 -2.985 4.309 1.00 13.32 N ATOM 1349 CA PHE A 79 14.413 -3.329 3.333 1.00 13.12 C ATOM 1350 C PHE A 79 14.204 -2.110 2.434 1.00 22.24 C ATOM 1351 O PHE A 79 14.685 -1.019 2.773 1.00 40.33 O ATOM 1352 CB PHE A 79 13.172 -3.899 4.041 1.00 3.31 C ATOM 1353 CG PHE A 79 12.064 -2.936 4.406 1.00 75.44 C ATOM 1354 CD1 PHE A 79 12.355 -1.626 4.815 1.00 55.05 C ATOM 1355 CD2 PHE A 79 10.723 -3.350 4.296 1.00 14.31 C ATOM 1356 CE1 PHE A 79 11.321 -0.702 4.980 1.00 2.30 C ATOM 1357 CE2 PHE A 79 9.680 -2.438 4.534 1.00 60.24 C ATOM 1358 CZ PHE A 79 9.983 -1.102 4.847 1.00 24.53 C ATOM 0 H PHE A 79 15.369 -2.032 4.667 1.00 13.32 H new ATOM 0 HA PHE A 79 14.707 -4.141 2.668 1.00 13.12 H new ATOM 0 HB2 PHE A 79 12.747 -4.672 3.401 1.00 3.31 H new ATOM 0 HB3 PHE A 79 13.504 -4.390 4.956 1.00 3.31 H new ATOM 0 HD1 PHE A 79 13.377 -1.332 5.002 1.00 55.05 H new ATOM 0 HD2 PHE A 79 10.495 -4.371 4.028 1.00 14.31 H new ATOM 0 HE1 PHE A 79 11.553 0.327 5.211 1.00 2.30 H new ATOM 0 HE2 PHE A 79 8.651 -2.762 4.477 1.00 60.24 H new ATOM 0 HZ PHE A 79 9.187 -0.385 4.985 1.00 24.53 H new ATOM 1368 N PHE A 80 13.493 -2.266 1.322 1.00 61.23 N ATOM 1369 CA PHE A 80 13.265 -1.197 0.365 1.00 42.11 C ATOM 1370 C PHE A 80 11.813 -1.210 -0.099 1.00 32.34 C ATOM 1371 O PHE A 80 11.138 -2.244 -0.067 1.00 53.11 O ATOM 1372 CB PHE A 80 14.254 -1.371 -0.807 1.00 22.13 C ATOM 1373 CG PHE A 80 15.728 -1.439 -0.402 1.00 52.11 C ATOM 1374 CD1 PHE A 80 16.259 -2.605 0.191 1.00 13.41 C ATOM 1375 CD2 PHE A 80 16.577 -0.335 -0.602 1.00 73.41 C ATOM 1376 CE1 PHE A 80 17.592 -2.652 0.631 1.00 74.11 C ATOM 1377 CE2 PHE A 80 17.919 -0.387 -0.186 1.00 12.02 C ATOM 1378 CZ PHE A 80 18.425 -1.538 0.443 1.00 62.25 C ATOM 0 H PHE A 80 13.055 -3.149 1.060 1.00 61.23 H new ATOM 0 HA PHE A 80 13.441 -0.224 0.825 1.00 42.11 H new ATOM 0 HB2 PHE A 80 13.998 -2.283 -1.347 1.00 22.13 H new ATOM 0 HB3 PHE A 80 14.121 -0.542 -1.502 1.00 22.13 H new ATOM 0 HD1 PHE A 80 15.630 -3.475 0.308 1.00 13.41 H new ATOM 0 HD2 PHE A 80 16.196 0.557 -1.077 1.00 73.41 H new ATOM 0 HE1 PHE A 80 17.974 -3.541 1.111 1.00 74.11 H new ATOM 0 HE2 PHE A 80 18.565 0.463 -0.351 1.00 12.02 H new ATOM 0 HZ PHE A 80 19.451 -1.565 0.780 1.00 62.25 H new ATOM 1388 N LEU A 81 11.344 -0.023 -0.482 1.00 40.05 N ATOM 1389 CA LEU A 81 10.017 0.320 -0.965 1.00 11.43 C ATOM 1390 C LEU A 81 10.238 0.838 -2.378 1.00 35.51 C ATOM 1391 O LEU A 81 10.803 1.922 -2.552 1.00 53.12 O ATOM 1392 CB LEU A 81 9.454 1.414 -0.034 1.00 51.45 C ATOM 1393 CG LEU A 81 8.033 1.930 -0.344 1.00 20.40 C ATOM 1394 CD1 LEU A 81 7.550 2.762 0.853 1.00 3.01 C ATOM 1395 CD2 LEU A 81 7.950 2.808 -1.602 1.00 14.44 C ATOM 0 H LEU A 81 11.947 0.799 -0.457 1.00 40.05 H new ATOM 0 HA LEU A 81 9.310 -0.509 -0.972 1.00 11.43 H new ATOM 0 HB2 LEU A 81 9.460 1.028 0.985 1.00 51.45 H new ATOM 0 HB3 LEU A 81 10.136 2.264 -0.057 1.00 51.45 H new ATOM 0 HG LEU A 81 7.411 1.053 -0.526 1.00 20.40 H new ATOM 0 HD11 LEU A 81 6.546 3.137 0.654 1.00 3.01 H new ATOM 0 HD12 LEU A 81 7.534 2.138 1.747 1.00 3.01 H new ATOM 0 HD13 LEU A 81 8.227 3.602 1.009 1.00 3.01 H new ATOM 0 HD21 LEU A 81 6.920 3.131 -1.753 1.00 14.44 H new ATOM 0 HD22 LEU A 81 8.590 3.681 -1.479 1.00 14.44 H new ATOM 0 HD23 LEU A 81 8.281 2.235 -2.468 1.00 14.44 H new ATOM 1407 N LEU A 82 9.822 0.042 -3.357 1.00 41.41 N ATOM 1408 CA LEU A 82 9.948 0.338 -4.769 1.00 71.22 C ATOM 1409 C LEU A 82 8.611 0.913 -5.250 1.00 61.32 C ATOM 1410 O LEU A 82 7.543 0.537 -4.746 1.00 60.25 O ATOM 1411 CB LEU A 82 10.365 -0.952 -5.518 1.00 3.42 C ATOM 1412 CG LEU A 82 11.759 -1.484 -5.107 1.00 60.41 C ATOM 1413 CD1 LEU A 82 11.736 -2.563 -4.018 1.00 23.41 C ATOM 1414 CD2 LEU A 82 12.521 -2.069 -6.302 1.00 40.33 C ATOM 0 H LEU A 82 9.373 -0.856 -3.177 1.00 41.41 H new ATOM 0 HA LEU A 82 10.721 1.080 -4.968 1.00 71.22 H new ATOM 0 HB2 LEU A 82 9.621 -1.726 -5.333 1.00 3.42 H new ATOM 0 HB3 LEU A 82 10.362 -0.757 -6.590 1.00 3.42 H new ATOM 0 HG LEU A 82 12.258 -0.601 -4.708 1.00 60.41 H new ATOM 0 HD11 LEU A 82 12.756 -2.876 -3.794 1.00 23.41 H new ATOM 0 HD12 LEU A 82 11.274 -2.160 -3.117 1.00 23.41 H new ATOM 0 HD13 LEU A 82 11.162 -3.421 -4.368 1.00 23.41 H new ATOM 0 HD21 LEU A 82 13.494 -2.431 -5.971 1.00 40.33 H new ATOM 0 HD22 LEU A 82 11.952 -2.895 -6.727 1.00 40.33 H new ATOM 0 HD23 LEU A 82 12.660 -1.297 -7.059 1.00 40.33 H new ATOM 1426 N VAL A 83 8.642 1.817 -6.229 1.00 73.33 N ATOM 1427 CA VAL A 83 7.467 2.472 -6.812 1.00 34.43 C ATOM 1428 C VAL A 83 7.412 1.984 -8.257 1.00 34.14 C ATOM 1429 O VAL A 83 8.424 2.026 -8.952 1.00 71.43 O ATOM 1430 CB VAL A 83 7.534 3.999 -6.629 1.00 55.03 C ATOM 1431 CG1 VAL A 83 6.182 4.611 -7.023 1.00 22.10 C ATOM 1432 CG2 VAL A 83 7.825 4.380 -5.161 1.00 75.42 C ATOM 0 H VAL A 83 9.516 2.126 -6.654 1.00 73.33 H new ATOM 0 HA VAL A 83 6.533 2.212 -6.315 1.00 34.43 H new ATOM 0 HB VAL A 83 8.339 4.378 -7.258 1.00 55.03 H new ATOM 0 HG11 VAL A 83 6.221 5.693 -6.896 1.00 22.10 H new ATOM 0 HG12 VAL A 83 5.966 4.376 -8.065 1.00 22.10 H new ATOM 0 HG13 VAL A 83 5.397 4.200 -6.388 1.00 22.10 H new ATOM 0 HG21 VAL A 83 7.866 5.465 -5.068 1.00 75.42 H new ATOM 0 HG22 VAL A 83 7.034 3.990 -4.520 1.00 75.42 H new ATOM 0 HG23 VAL A 83 8.781 3.954 -4.857 1.00 75.42 H new ATOM 1442 N ASN A 84 6.258 1.472 -8.695 1.00 43.04 N ATOM 1443 CA ASN A 84 6.007 0.881 -10.014 1.00 13.01 C ATOM 1444 C ASN A 84 6.965 -0.289 -10.336 1.00 13.12 C ATOM 1445 O ASN A 84 6.969 -0.799 -11.453 1.00 42.23 O ATOM 1446 CB ASN A 84 5.890 1.934 -11.134 1.00 23.54 C ATOM 1447 CG ASN A 84 4.610 2.755 -11.029 1.00 61.54 C ATOM 1448 OD1 ASN A 84 3.580 2.255 -10.597 1.00 34.41 O ATOM 1449 ND2 ASN A 84 4.622 4.009 -11.433 1.00 54.34 N ATOM 0 H ASN A 84 5.426 1.458 -8.105 1.00 43.04 H new ATOM 0 HA ASN A 84 5.018 0.426 -9.965 1.00 13.01 H new ATOM 0 HB2 ASN A 84 6.751 2.601 -11.093 1.00 23.54 H new ATOM 0 HB3 ASN A 84 5.920 1.435 -12.103 1.00 23.54 H new ATOM 0 HD21 ASN A 84 3.770 4.568 -11.387 1.00 54.34 H new ATOM 0 HD22 ASN A 84 5.483 4.421 -11.792 1.00 54.34 H new ATOM 1456 N GLY A 85 7.745 -0.761 -9.357 1.00 11.23 N ATOM 1457 CA GLY A 85 8.722 -1.841 -9.424 1.00 51.32 C ATOM 1458 C GLY A 85 10.165 -1.328 -9.352 1.00 74.52 C ATOM 1459 O GLY A 85 11.095 -2.129 -9.447 1.00 73.23 O ATOM 0 H GLY A 85 7.701 -0.360 -8.420 1.00 11.23 H new ATOM 0 HA2 GLY A 85 8.546 -2.538 -8.605 1.00 51.32 H new ATOM 0 HA3 GLY A 85 8.582 -2.397 -10.351 1.00 51.32 H new ATOM 1463 N HIS A 86 10.379 -0.031 -9.093 1.00 63.41 N ATOM 1464 CA HIS A 86 11.700 0.585 -9.056 1.00 42.11 C ATOM 1465 C HIS A 86 11.916 1.490 -7.833 1.00 34.21 C ATOM 1466 O HIS A 86 11.109 2.372 -7.538 1.00 31.44 O ATOM 1467 CB HIS A 86 11.826 1.393 -10.359 1.00 55.22 C ATOM 1468 CG HIS A 86 11.325 0.662 -11.585 1.00 72.21 C ATOM 1469 ND1 HIS A 86 11.942 -0.409 -12.196 1.00 24.32 N ATOM 1470 CD2 HIS A 86 10.070 0.791 -12.132 1.00 31.10 C ATOM 1471 CE1 HIS A 86 11.080 -0.913 -13.090 1.00 53.03 C ATOM 1472 NE2 HIS A 86 9.950 -0.187 -13.124 1.00 74.52 N ATOM 0 H HIS A 86 9.622 0.625 -8.901 1.00 63.41 H new ATOM 0 HA HIS A 86 12.464 -0.188 -8.970 1.00 42.11 H new ATOM 0 HB2 HIS A 86 11.271 2.325 -10.252 1.00 55.22 H new ATOM 0 HB3 HIS A 86 12.872 1.660 -10.510 1.00 55.22 H new ATOM 0 HD2 HIS A 86 9.318 1.512 -11.849 1.00 31.10 H new ATOM 0 HE1 HIS A 86 11.268 -1.784 -13.700 1.00 53.03 H new ATOM 0 HE2 HIS A 86 9.158 -0.323 -13.752 1.00 74.52 H new ATOM 1480 N SER A 87 13.003 1.277 -7.093 1.00 62.51 N ATOM 1481 CA SER A 87 13.365 2.064 -5.922 1.00 0.23 C ATOM 1482 C SER A 87 14.137 3.317 -6.367 1.00 32.23 C ATOM 1483 O SER A 87 15.364 3.286 -6.462 1.00 54.23 O ATOM 1484 CB SER A 87 14.185 1.220 -4.913 1.00 11.32 C ATOM 1485 OG SER A 87 13.591 1.239 -3.626 1.00 0.23 O ATOM 0 H SER A 87 13.671 0.534 -7.299 1.00 62.51 H new ATOM 0 HA SER A 87 12.456 2.377 -5.408 1.00 0.23 H new ATOM 0 HB2 SER A 87 14.256 0.192 -5.268 1.00 11.32 H new ATOM 0 HB3 SER A 87 15.202 1.608 -4.853 1.00 11.32 H new ATOM 0 HG SER A 87 12.628 1.397 -3.713 1.00 0.23 H new ATOM 1491 N MET A 88 13.455 4.434 -6.638 1.00 24.30 N ATOM 1492 CA MET A 88 14.113 5.697 -7.015 1.00 62.32 C ATOM 1493 C MET A 88 13.560 6.894 -6.231 1.00 20.53 C ATOM 1494 O MET A 88 13.986 8.026 -6.451 1.00 31.31 O ATOM 1495 CB MET A 88 14.085 5.956 -8.531 1.00 13.04 C ATOM 1496 CG MET A 88 12.701 6.336 -9.067 1.00 11.01 C ATOM 1497 SD MET A 88 11.672 4.942 -9.563 1.00 4.03 S ATOM 1498 CE MET A 88 12.263 4.715 -11.264 1.00 3.21 C ATOM 0 H MET A 88 12.437 4.493 -6.604 1.00 24.30 H new ATOM 0 HA MET A 88 15.161 5.581 -6.738 1.00 62.32 H new ATOM 0 HB2 MET A 88 14.788 6.755 -8.767 1.00 13.04 H new ATOM 0 HB3 MET A 88 14.433 5.062 -9.049 1.00 13.04 H new ATOM 0 HG2 MET A 88 12.174 6.904 -8.300 1.00 11.01 H new ATOM 0 HG3 MET A 88 12.828 6.998 -9.923 1.00 11.01 H new ATOM 0 HE1 MET A 88 11.594 4.038 -11.794 1.00 3.21 H new ATOM 0 HE2 MET A 88 12.283 5.678 -11.774 1.00 3.21 H new ATOM 0 HE3 MET A 88 13.268 4.292 -11.247 1.00 3.21 H new ATOM 1508 N VAL A 89 12.578 6.670 -5.359 1.00 63.34 N ATOM 1509 CA VAL A 89 11.946 7.701 -4.553 1.00 71.25 C ATOM 1510 C VAL A 89 12.684 7.769 -3.219 1.00 54.21 C ATOM 1511 O VAL A 89 12.802 6.752 -2.526 1.00 72.54 O ATOM 1512 CB VAL A 89 10.445 7.376 -4.421 1.00 1.03 C ATOM 1513 CG1 VAL A 89 9.731 8.294 -3.423 1.00 71.14 C ATOM 1514 CG2 VAL A 89 9.766 7.514 -5.796 1.00 75.51 C ATOM 0 H VAL A 89 12.193 5.740 -5.193 1.00 63.34 H new ATOM 0 HA VAL A 89 12.008 8.689 -5.010 1.00 71.25 H new ATOM 0 HB VAL A 89 10.369 6.354 -4.049 1.00 1.03 H new ATOM 0 HG11 VAL A 89 8.677 8.022 -3.368 1.00 71.14 H new ATOM 0 HG12 VAL A 89 10.186 8.184 -2.438 1.00 71.14 H new ATOM 0 HG13 VAL A 89 9.822 9.329 -3.751 1.00 71.14 H new ATOM 0 HG21 VAL A 89 8.705 7.284 -5.702 1.00 75.51 H new ATOM 0 HG22 VAL A 89 9.886 8.534 -6.160 1.00 75.51 H new ATOM 0 HG23 VAL A 89 10.227 6.821 -6.500 1.00 75.51 H new ATOM 1524 N SER A 90 13.188 8.956 -2.881 1.00 5.22 N ATOM 1525 CA SER A 90 13.912 9.219 -1.650 1.00 51.02 C ATOM 1526 C SER A 90 12.992 9.147 -0.425 1.00 62.42 C ATOM 1527 O SER A 90 11.776 9.328 -0.509 1.00 70.24 O ATOM 1528 CB SER A 90 14.561 10.596 -1.751 1.00 2.33 C ATOM 1529 OG SER A 90 15.563 10.601 -2.748 1.00 22.11 O ATOM 0 H SER A 90 13.098 9.779 -3.476 1.00 5.22 H new ATOM 0 HA SER A 90 14.676 8.453 -1.519 1.00 51.02 H new ATOM 0 HB2 SER A 90 13.804 11.345 -1.985 1.00 2.33 H new ATOM 0 HB3 SER A 90 14.995 10.871 -0.790 1.00 2.33 H new ATOM 0 HG SER A 90 15.968 11.492 -2.801 1.00 22.11 H new ATOM 1535 N VAL A 91 13.606 8.947 0.739 1.00 74.22 N ATOM 1536 CA VAL A 91 12.939 8.820 2.024 1.00 42.03 C ATOM 1537 C VAL A 91 12.156 10.075 2.447 1.00 44.05 C ATOM 1538 O VAL A 91 11.044 9.945 2.957 1.00 2.42 O ATOM 1539 CB VAL A 91 13.994 8.329 3.040 1.00 73.31 C ATOM 1540 CG1 VAL A 91 15.129 9.331 3.308 1.00 3.30 C ATOM 1541 CG2 VAL A 91 13.380 7.894 4.368 1.00 25.32 C ATOM 0 H VAL A 91 14.620 8.867 0.811 1.00 74.22 H new ATOM 0 HA VAL A 91 12.140 8.081 1.963 1.00 42.03 H new ATOM 0 HB VAL A 91 14.434 7.461 2.550 1.00 73.31 H new ATOM 0 HG11 VAL A 91 15.825 8.907 4.032 1.00 3.30 H new ATOM 0 HG12 VAL A 91 15.656 9.541 2.377 1.00 3.30 H new ATOM 0 HG13 VAL A 91 14.711 10.256 3.705 1.00 3.30 H new ATOM 0 HG21 VAL A 91 14.169 7.559 5.041 1.00 25.32 H new ATOM 0 HG22 VAL A 91 12.852 8.735 4.817 1.00 25.32 H new ATOM 0 HG23 VAL A 91 12.680 7.077 4.195 1.00 25.32 H new ATOM 1551 N SER A 92 12.663 11.290 2.233 1.00 41.42 N ATOM 1552 CA SER A 92 11.936 12.491 2.645 1.00 23.22 C ATOM 1553 C SER A 92 10.854 12.936 1.655 1.00 30.43 C ATOM 1554 O SER A 92 10.097 13.848 1.984 1.00 23.40 O ATOM 1555 CB SER A 92 12.930 13.631 2.870 1.00 32.54 C ATOM 1556 OG SER A 92 13.960 13.228 3.756 1.00 22.32 O ATOM 0 H SER A 92 13.561 11.467 1.783 1.00 41.42 H new ATOM 0 HA SER A 92 11.415 12.237 3.568 1.00 23.22 H new ATOM 0 HB2 SER A 92 13.362 13.937 1.917 1.00 32.54 H new ATOM 0 HB3 SER A 92 12.411 14.498 3.278 1.00 32.54 H new ATOM 0 HG SER A 92 14.588 13.969 3.887 1.00 22.32 H new ATOM 1562 N THR A 93 10.756 12.334 0.471 1.00 61.53 N ATOM 1563 CA THR A 93 9.772 12.722 -0.527 1.00 52.32 C ATOM 1564 C THR A 93 8.317 12.565 -0.033 1.00 62.35 C ATOM 1565 O THR A 93 7.975 11.521 0.530 1.00 74.22 O ATOM 1566 CB THR A 93 10.028 11.902 -1.804 1.00 71.32 C ATOM 1567 OG1 THR A 93 11.339 12.157 -2.295 1.00 12.20 O ATOM 1568 CG2 THR A 93 9.059 12.265 -2.921 1.00 63.12 C ATOM 0 H THR A 93 11.358 11.564 0.181 1.00 61.53 H new ATOM 0 HA THR A 93 9.889 13.786 -0.735 1.00 52.32 H new ATOM 0 HB THR A 93 9.897 10.855 -1.530 1.00 71.32 H new ATOM 0 HG1 THR A 93 11.493 11.629 -3.106 1.00 12.20 H new ATOM 0 HG21 THR A 93 9.277 11.662 -3.802 1.00 63.12 H new ATOM 0 HG22 THR A 93 8.037 12.073 -2.593 1.00 63.12 H new ATOM 0 HG23 THR A 93 9.168 13.321 -3.168 1.00 63.12 H new ATOM 1576 N PRO A 94 7.441 13.564 -0.256 1.00 51.05 N ATOM 1577 CA PRO A 94 6.043 13.492 0.118 1.00 52.42 C ATOM 1578 C PRO A 94 5.291 12.636 -0.907 1.00 12.00 C ATOM 1579 O PRO A 94 5.482 12.726 -2.138 1.00 5.31 O ATOM 1580 CB PRO A 94 5.531 14.927 0.111 1.00 70.44 C ATOM 1581 CG PRO A 94 6.380 15.600 -0.963 1.00 63.41 C ATOM 1582 CD PRO A 94 7.713 14.849 -0.880 1.00 32.20 C ATOM 0 HA PRO A 94 5.898 13.037 1.098 1.00 52.42 H new ATOM 0 HB2 PRO A 94 4.469 14.973 -0.129 1.00 70.44 H new ATOM 0 HB3 PRO A 94 5.660 15.404 1.082 1.00 70.44 H new ATOM 0 HG2 PRO A 94 5.927 15.508 -1.950 1.00 63.41 H new ATOM 0 HG3 PRO A 94 6.505 16.665 -0.768 1.00 63.41 H new ATOM 0 HD2 PRO A 94 8.141 14.712 -1.873 1.00 32.20 H new ATOM 0 HD3 PRO A 94 8.438 15.415 -0.296 1.00 32.20 H new ATOM 1590 N ILE A 95 4.371 11.812 -0.405 1.00 21.52 N ATOM 1591 CA ILE A 95 3.606 10.964 -1.299 1.00 22.33 C ATOM 1592 C ILE A 95 2.786 11.798 -2.296 1.00 33.54 C ATOM 1593 O ILE A 95 2.364 11.242 -3.300 1.00 73.31 O ATOM 1594 CB ILE A 95 2.818 9.882 -0.527 1.00 43.45 C ATOM 1595 CG1 ILE A 95 2.419 8.737 -1.486 1.00 5.23 C ATOM 1596 CG2 ILE A 95 1.645 10.495 0.247 1.00 52.55 C ATOM 1597 CD1 ILE A 95 1.875 7.486 -0.797 1.00 70.45 C ATOM 0 H ILE A 95 4.147 11.719 0.586 1.00 21.52 H new ATOM 0 HA ILE A 95 4.295 10.394 -1.923 1.00 22.33 H new ATOM 0 HB ILE A 95 3.455 9.436 0.237 1.00 43.45 H new ATOM 0 HG12 ILE A 95 1.666 9.109 -2.180 1.00 5.23 H new ATOM 0 HG13 ILE A 95 3.290 8.459 -2.079 1.00 5.23 H new ATOM 0 HG21 ILE A 95 1.110 9.709 0.780 1.00 52.55 H new ATOM 0 HG22 ILE A 95 2.023 11.225 0.962 1.00 52.55 H new ATOM 0 HG23 ILE A 95 0.967 10.987 -0.450 1.00 52.55 H new ATOM 0 HD11 ILE A 95 1.622 6.738 -1.548 1.00 70.45 H new ATOM 0 HD12 ILE A 95 2.632 7.083 -0.124 1.00 70.45 H new ATOM 0 HD13 ILE A 95 0.983 7.744 -0.227 1.00 70.45 H new ATOM 1609 N SER A 96 2.515 13.088 -2.046 1.00 2.00 N ATOM 1610 CA SER A 96 1.776 13.915 -2.988 1.00 51.11 C ATOM 1611 C SER A 96 2.538 13.963 -4.318 1.00 2.43 C ATOM 1612 O SER A 96 1.962 13.606 -5.347 1.00 54.41 O ATOM 1613 CB SER A 96 1.518 15.311 -2.410 1.00 51.43 C ATOM 1614 OG SER A 96 2.699 15.954 -1.967 1.00 52.02 O ATOM 0 H SER A 96 2.801 13.574 -1.196 1.00 2.00 H new ATOM 0 HA SER A 96 0.795 13.477 -3.172 1.00 51.11 H new ATOM 0 HB2 SER A 96 1.037 15.929 -3.168 1.00 51.43 H new ATOM 0 HB3 SER A 96 0.821 15.230 -1.576 1.00 51.43 H new ATOM 0 HG SER A 96 2.476 16.839 -1.611 1.00 52.02 H new ATOM 1620 N GLU A 97 3.818 14.372 -4.307 1.00 61.33 N ATOM 1621 CA GLU A 97 4.612 14.435 -5.528 1.00 30.32 C ATOM 1622 C GLU A 97 4.796 13.014 -6.071 1.00 64.34 C ATOM 1623 O GLU A 97 4.729 12.831 -7.293 1.00 24.42 O ATOM 1624 CB GLU A 97 5.923 15.241 -5.368 1.00 64.22 C ATOM 1625 CG GLU A 97 7.075 14.510 -4.669 1.00 10.02 C ATOM 1626 CD GLU A 97 8.373 15.329 -4.593 1.00 64.23 C ATOM 1627 OE1 GLU A 97 8.438 16.268 -3.770 1.00 51.22 O ATOM 1628 OE2 GLU A 97 9.359 14.938 -5.275 1.00 31.22 O ATOM 0 H GLU A 97 4.316 14.661 -3.465 1.00 61.33 H new ATOM 0 HA GLU A 97 4.071 15.011 -6.279 1.00 30.32 H new ATOM 0 HB2 GLU A 97 6.261 15.549 -6.357 1.00 64.22 H new ATOM 0 HB3 GLU A 97 5.702 16.150 -4.809 1.00 64.22 H new ATOM 0 HG2 GLU A 97 6.764 14.244 -3.659 1.00 10.02 H new ATOM 0 HG3 GLU A 97 7.275 13.578 -5.197 1.00 10.02 H new ATOM 1635 N VAL A 98 4.970 12.006 -5.184 1.00 62.41 N ATOM 1636 CA VAL A 98 5.112 10.634 -5.707 1.00 13.23 C ATOM 1637 C VAL A 98 3.850 10.259 -6.500 1.00 13.32 C ATOM 1638 O VAL A 98 3.931 9.699 -7.588 1.00 72.14 O ATOM 1639 CB VAL A 98 5.358 9.598 -4.588 1.00 54.14 C ATOM 1640 CG1 VAL A 98 5.553 8.174 -5.130 1.00 12.34 C ATOM 1641 CG2 VAL A 98 6.603 9.931 -3.773 1.00 62.33 C ATOM 0 H VAL A 98 5.013 12.106 -4.170 1.00 62.41 H new ATOM 0 HA VAL A 98 5.987 10.616 -6.357 1.00 13.23 H new ATOM 0 HB VAL A 98 4.462 9.641 -3.968 1.00 54.14 H new ATOM 0 HG11 VAL A 98 5.722 7.489 -4.300 1.00 12.34 H new ATOM 0 HG12 VAL A 98 4.662 7.868 -5.678 1.00 12.34 H new ATOM 0 HG13 VAL A 98 6.414 8.154 -5.798 1.00 12.34 H new ATOM 0 HG21 VAL A 98 6.741 9.179 -2.996 1.00 62.33 H new ATOM 0 HG22 VAL A 98 7.474 9.941 -4.428 1.00 62.33 H new ATOM 0 HG23 VAL A 98 6.484 10.911 -3.312 1.00 62.33 H new ATOM 1651 N TYR A 99 2.668 10.579 -5.975 1.00 23.11 N ATOM 1652 CA TYR A 99 1.385 10.280 -6.578 1.00 73.21 C ATOM 1653 C TYR A 99 1.253 10.873 -7.965 1.00 75.15 C ATOM 1654 O TYR A 99 1.040 10.127 -8.914 1.00 75.21 O ATOM 1655 CB TYR A 99 0.248 10.801 -5.685 1.00 23.14 C ATOM 1656 CG TYR A 99 -1.148 10.308 -6.026 1.00 64.42 C ATOM 1657 CD1 TYR A 99 -1.404 8.925 -6.071 1.00 31.04 C ATOM 1658 CD2 TYR A 99 -2.207 11.221 -6.188 1.00 3.24 C ATOM 1659 CE1 TYR A 99 -2.718 8.448 -6.214 1.00 44.32 C ATOM 1660 CE2 TYR A 99 -3.521 10.750 -6.344 1.00 54.23 C ATOM 1661 CZ TYR A 99 -3.786 9.363 -6.337 1.00 63.13 C ATOM 1662 OH TYR A 99 -5.060 8.914 -6.484 1.00 0.52 O ATOM 0 H TYR A 99 2.583 11.071 -5.086 1.00 23.11 H new ATOM 0 HA TYR A 99 1.317 9.196 -6.672 1.00 73.21 H new ATOM 0 HB2 TYR A 99 0.467 10.524 -4.654 1.00 23.14 H new ATOM 0 HB3 TYR A 99 0.248 11.890 -5.730 1.00 23.14 H new ATOM 0 HD1 TYR A 99 -0.585 8.225 -5.995 1.00 31.04 H new ATOM 0 HD2 TYR A 99 -2.009 12.283 -6.192 1.00 3.24 H new ATOM 0 HE1 TYR A 99 -2.910 7.385 -6.230 1.00 44.32 H new ATOM 0 HE2 TYR A 99 -4.332 11.452 -6.470 1.00 54.23 H new ATOM 0 HH TYR A 99 -5.071 8.158 -7.107 1.00 0.52 H new ATOM 1672 N GLU A 100 1.357 12.194 -8.104 1.00 63.44 N ATOM 1673 CA GLU A 100 1.202 12.803 -9.420 1.00 40.52 C ATOM 1674 C GLU A 100 2.311 12.446 -10.411 1.00 33.52 C ATOM 1675 O GLU A 100 2.058 12.538 -11.619 1.00 12.42 O ATOM 1676 CB GLU A 100 1.019 14.324 -9.303 1.00 60.03 C ATOM 1677 CG GLU A 100 2.137 14.988 -8.493 1.00 72.13 C ATOM 1678 CD GLU A 100 2.073 16.515 -8.516 1.00 2.14 C ATOM 1679 OE1 GLU A 100 1.807 17.135 -9.575 1.00 30.53 O ATOM 1680 OE2 GLU A 100 2.152 17.132 -7.430 1.00 74.14 O ATOM 0 H GLU A 100 1.543 12.847 -7.343 1.00 63.44 H new ATOM 0 HA GLU A 100 0.294 12.371 -9.841 1.00 40.52 H new ATOM 0 HB2 GLU A 100 0.989 14.761 -10.301 1.00 60.03 H new ATOM 0 HB3 GLU A 100 0.059 14.536 -8.833 1.00 60.03 H new ATOM 0 HG2 GLU A 100 2.082 14.644 -7.460 1.00 72.13 H new ATOM 0 HG3 GLU A 100 3.102 14.665 -8.885 1.00 72.13 H new ATOM 1687 N SER A 101 3.485 12.001 -9.954 1.00 71.11 N ATOM 1688 CA SER A 101 4.563 11.656 -10.873 1.00 32.14 C ATOM 1689 C SER A 101 4.613 10.159 -11.224 1.00 31.20 C ATOM 1690 O SER A 101 5.114 9.820 -12.296 1.00 74.21 O ATOM 1691 CB SER A 101 5.887 12.183 -10.311 1.00 1.42 C ATOM 1692 OG SER A 101 6.266 11.541 -9.108 1.00 14.20 O ATOM 0 H SER A 101 3.708 11.874 -8.967 1.00 71.11 H new ATOM 0 HA SER A 101 4.367 12.143 -11.828 1.00 32.14 H new ATOM 0 HB2 SER A 101 6.672 12.045 -11.054 1.00 1.42 H new ATOM 0 HB3 SER A 101 5.800 13.255 -10.134 1.00 1.42 H new ATOM 0 HG SER A 101 5.804 11.961 -8.353 1.00 14.20 H new ATOM 1698 N GLU A 102 4.035 9.268 -10.409 1.00 11.43 N ATOM 1699 CA GLU A 102 4.060 7.815 -10.627 1.00 1.33 C ATOM 1700 C GLU A 102 2.660 7.186 -10.787 1.00 23.24 C ATOM 1701 O GLU A 102 2.566 5.974 -10.982 1.00 52.44 O ATOM 1702 CB GLU A 102 4.804 7.157 -9.441 1.00 71.13 C ATOM 1703 CG GLU A 102 6.214 7.695 -9.113 1.00 35.30 C ATOM 1704 CD GLU A 102 7.327 7.089 -9.966 1.00 74.22 C ATOM 1705 OE1 GLU A 102 7.524 7.518 -11.130 1.00 35.20 O ATOM 1706 OE2 GLU A 102 8.114 6.261 -9.456 1.00 55.45 O ATOM 0 H GLU A 102 3.529 9.540 -9.566 1.00 11.43 H new ATOM 0 HA GLU A 102 4.575 7.634 -11.570 1.00 1.33 H new ATOM 0 HB2 GLU A 102 4.185 7.265 -8.551 1.00 71.13 H new ATOM 0 HB3 GLU A 102 4.887 6.089 -9.644 1.00 71.13 H new ATOM 0 HG2 GLU A 102 6.218 8.777 -9.245 1.00 35.30 H new ATOM 0 HG3 GLU A 102 6.430 7.501 -8.062 1.00 35.30 H new ATOM 1713 N LYS A 103 1.584 7.982 -10.737 1.00 54.12 N ATOM 1714 CA LYS A 103 0.182 7.552 -10.852 1.00 0.21 C ATOM 1715 C LYS A 103 -0.132 6.600 -12.004 1.00 73.42 C ATOM 1716 O LYS A 103 0.369 6.776 -13.116 1.00 3.40 O ATOM 1717 CB LYS A 103 -0.768 8.755 -10.992 1.00 40.15 C ATOM 1718 CG LYS A 103 -0.279 9.823 -11.980 1.00 54.42 C ATOM 1719 CD LYS A 103 -1.441 10.612 -12.570 1.00 53.55 C ATOM 1720 CE LYS A 103 -2.254 11.342 -11.499 1.00 11.42 C ATOM 1721 NZ LYS A 103 -2.995 12.461 -12.101 1.00 61.31 N ATOM 0 H LYS A 103 1.670 8.990 -10.609 1.00 54.12 H new ATOM 0 HA LYS A 103 0.024 7.006 -9.922 1.00 0.21 H new ATOM 0 HB2 LYS A 103 -1.746 8.397 -11.314 1.00 40.15 H new ATOM 0 HB3 LYS A 103 -0.903 9.215 -10.013 1.00 40.15 H new ATOM 0 HG2 LYS A 103 0.404 10.504 -11.472 1.00 54.42 H new ATOM 0 HG3 LYS A 103 0.284 9.347 -12.783 1.00 54.42 H new ATOM 0 HD2 LYS A 103 -1.057 11.337 -13.288 1.00 53.55 H new ATOM 0 HD3 LYS A 103 -2.095 9.935 -13.120 1.00 53.55 H new ATOM 0 HE2 LYS A 103 -2.949 10.649 -11.024 1.00 11.42 H new ATOM 0 HE3 LYS A 103 -1.590 11.713 -10.718 1.00 11.42 H new ATOM 0 HZ1 LYS A 103 -3.544 12.950 -11.365 1.00 61.31 H new ATOM 0 HZ2 LYS A 103 -2.325 13.128 -12.534 1.00 61.31 H new ATOM 0 HZ3 LYS A 103 -3.641 12.097 -12.830 1.00 61.31 H new ATOM 1735 N ASP A 104 -1.001 5.627 -11.742 1.00 24.43 N ATOM 1736 CA ASP A 104 -1.474 4.654 -12.713 1.00 24.34 C ATOM 1737 C ASP A 104 -2.712 5.235 -13.391 1.00 12.30 C ATOM 1738 O ASP A 104 -3.328 6.183 -12.896 1.00 22.11 O ATOM 1739 CB ASP A 104 -1.917 3.369 -12.013 1.00 22.43 C ATOM 1740 CG ASP A 104 -0.761 2.473 -11.605 1.00 52.51 C ATOM 1741 OD1 ASP A 104 -0.200 1.805 -12.504 1.00 0.42 O ATOM 1742 OD2 ASP A 104 -0.556 2.300 -10.385 1.00 42.51 O ATOM 0 H ASP A 104 -1.407 5.493 -10.816 1.00 24.43 H new ATOM 0 HA ASP A 104 -0.672 4.437 -13.418 1.00 24.34 H new ATOM 0 HB2 ASP A 104 -2.496 3.628 -11.127 1.00 22.43 H new ATOM 0 HB3 ASP A 104 -2.581 2.814 -12.676 1.00 22.43 H new ATOM 1747 N GLU A 105 -3.148 4.603 -14.479 1.00 33.04 N ATOM 1748 CA GLU A 105 -4.321 5.013 -15.240 1.00 24.25 C ATOM 1749 C GLU A 105 -5.600 4.965 -14.387 1.00 44.11 C ATOM 1750 O GLU A 105 -6.510 5.768 -14.587 1.00 64.43 O ATOM 1751 CB GLU A 105 -4.452 4.070 -16.450 1.00 71.13 C ATOM 1752 CG GLU A 105 -5.395 4.591 -17.541 1.00 40.21 C ATOM 1753 CD GLU A 105 -4.964 5.945 -18.119 1.00 34.23 C ATOM 1754 OE1 GLU A 105 -3.747 6.226 -18.231 1.00 24.24 O ATOM 1755 OE2 GLU A 105 -5.855 6.737 -18.505 1.00 43.23 O ATOM 0 H GLU A 105 -2.686 3.778 -14.861 1.00 33.04 H new ATOM 0 HA GLU A 105 -4.196 6.046 -15.565 1.00 24.25 H new ATOM 0 HB2 GLU A 105 -3.464 3.910 -16.883 1.00 71.13 H new ATOM 0 HB3 GLU A 105 -4.810 3.100 -16.106 1.00 71.13 H new ATOM 0 HG2 GLU A 105 -5.446 3.859 -18.347 1.00 40.21 H new ATOM 0 HG3 GLU A 105 -6.400 4.683 -17.129 1.00 40.21 H new ATOM 1762 N ASP A 106 -5.686 4.014 -13.450 1.00 15.11 N ATOM 1763 CA ASP A 106 -6.845 3.835 -12.569 1.00 22.44 C ATOM 1764 C ASP A 106 -6.820 4.764 -11.356 1.00 43.41 C ATOM 1765 O ASP A 106 -7.819 4.869 -10.641 1.00 24.33 O ATOM 1766 CB ASP A 106 -7.013 2.368 -12.136 1.00 75.21 C ATOM 1767 CG ASP A 106 -5.882 1.792 -11.278 1.00 23.01 C ATOM 1768 OD1 ASP A 106 -4.948 2.524 -10.879 1.00 60.22 O ATOM 1769 OD2 ASP A 106 -5.898 0.558 -11.057 1.00 14.22 O ATOM 0 H ASP A 106 -4.942 3.338 -13.280 1.00 15.11 H new ATOM 0 HA ASP A 106 -7.716 4.114 -13.162 1.00 22.44 H new ATOM 0 HB2 ASP A 106 -7.947 2.277 -11.581 1.00 75.21 H new ATOM 0 HB3 ASP A 106 -7.113 1.754 -13.031 1.00 75.21 H new ATOM 1774 N GLY A 107 -5.719 5.479 -11.130 1.00 11.35 N ATOM 1775 CA GLY A 107 -5.584 6.415 -10.027 1.00 33.03 C ATOM 1776 C GLY A 107 -5.062 5.810 -8.728 1.00 41.34 C ATOM 1777 O GLY A 107 -5.042 6.521 -7.717 1.00 60.01 O ATOM 0 H GLY A 107 -4.888 5.420 -11.718 1.00 11.35 H new ATOM 0 HA2 GLY A 107 -4.913 7.218 -10.332 1.00 33.03 H new ATOM 0 HA3 GLY A 107 -6.556 6.868 -9.834 1.00 33.03 H new ATOM 1781 N PHE A 108 -4.735 4.517 -8.689 1.00 64.40 N ATOM 1782 CA PHE A 108 -4.142 3.904 -7.501 1.00 44.54 C ATOM 1783 C PHE A 108 -2.625 4.100 -7.691 1.00 72.25 C ATOM 1784 O PHE A 108 -2.163 4.419 -8.791 1.00 2.54 O ATOM 1785 CB PHE A 108 -4.399 2.385 -7.443 1.00 4.53 C ATOM 1786 CG PHE A 108 -5.689 1.891 -6.819 1.00 4.22 C ATOM 1787 CD1 PHE A 108 -5.873 1.954 -5.426 1.00 13.33 C ATOM 1788 CD2 PHE A 108 -6.647 1.235 -7.611 1.00 52.12 C ATOM 1789 CE1 PHE A 108 -7.012 1.374 -4.838 1.00 24.04 C ATOM 1790 CE2 PHE A 108 -7.790 0.668 -7.024 1.00 71.02 C ATOM 1791 CZ PHE A 108 -7.980 0.739 -5.635 1.00 51.21 C ATOM 0 H PHE A 108 -4.872 3.874 -9.469 1.00 64.40 H new ATOM 0 HA PHE A 108 -4.557 4.347 -6.596 1.00 44.54 H new ATOM 0 HB2 PHE A 108 -4.357 2.003 -8.463 1.00 4.53 H new ATOM 0 HB3 PHE A 108 -3.572 1.930 -6.898 1.00 4.53 H new ATOM 0 HD1 PHE A 108 -5.139 2.448 -4.807 1.00 13.33 H new ATOM 0 HD2 PHE A 108 -6.503 1.166 -8.679 1.00 52.12 H new ATOM 0 HE1 PHE A 108 -7.143 1.417 -3.767 1.00 24.04 H new ATOM 0 HE2 PHE A 108 -8.525 0.176 -7.643 1.00 71.02 H new ATOM 0 HZ PHE A 108 -8.862 0.310 -5.183 1.00 51.21 H new ATOM 1801 N LEU A 109 -1.833 4.008 -6.624 1.00 74.33 N ATOM 1802 CA LEU A 109 -0.372 4.105 -6.722 1.00 12.51 C ATOM 1803 C LEU A 109 0.199 2.699 -6.501 1.00 61.44 C ATOM 1804 O LEU A 109 0.036 2.190 -5.391 1.00 64.22 O ATOM 1805 CB LEU A 109 0.165 5.148 -5.733 1.00 15.10 C ATOM 1806 CG LEU A 109 1.704 5.251 -5.709 1.00 35.32 C ATOM 1807 CD1 LEU A 109 2.283 5.716 -7.049 1.00 0.20 C ATOM 1808 CD2 LEU A 109 2.119 6.240 -4.616 1.00 11.13 C ATOM 0 H LEU A 109 -2.178 3.866 -5.675 1.00 74.33 H new ATOM 0 HA LEU A 109 -0.058 4.454 -7.706 1.00 12.51 H new ATOM 0 HB2 LEU A 109 -0.251 6.123 -5.987 1.00 15.10 H new ATOM 0 HB3 LEU A 109 -0.189 4.901 -4.732 1.00 15.10 H new ATOM 0 HG LEU A 109 2.098 4.254 -5.510 1.00 35.32 H new ATOM 0 HD11 LEU A 109 3.369 5.771 -6.977 1.00 0.20 H new ATOM 0 HD12 LEU A 109 2.007 5.008 -7.830 1.00 0.20 H new ATOM 0 HD13 LEU A 109 1.885 6.701 -7.295 1.00 0.20 H new ATOM 0 HD21 LEU A 109 3.206 6.320 -4.591 1.00 11.13 H new ATOM 0 HD22 LEU A 109 1.688 7.219 -4.828 1.00 11.13 H new ATOM 0 HD23 LEU A 109 1.759 5.887 -3.650 1.00 11.13 H new ATOM 1820 N TYR A 110 0.832 2.055 -7.487 1.00 44.44 N ATOM 1821 CA TYR A 110 1.405 0.717 -7.310 1.00 21.13 C ATOM 1822 C TYR A 110 2.780 0.804 -6.638 1.00 14.23 C ATOM 1823 O TYR A 110 3.730 1.408 -7.146 1.00 11.01 O ATOM 1824 CB TYR A 110 1.558 -0.028 -8.648 1.00 0.43 C ATOM 1825 CG TYR A 110 0.473 -1.042 -8.977 1.00 42.24 C ATOM 1826 CD1 TYR A 110 0.227 -2.152 -8.142 1.00 12.12 C ATOM 1827 CD2 TYR A 110 -0.234 -0.925 -10.183 1.00 33.32 C ATOM 1828 CE1 TYR A 110 -0.723 -3.123 -8.517 1.00 13.34 C ATOM 1829 CE2 TYR A 110 -1.186 -1.879 -10.561 1.00 51.25 C ATOM 1830 CZ TYR A 110 -1.436 -2.992 -9.731 1.00 72.15 C ATOM 1831 OH TYR A 110 -2.385 -3.904 -10.077 1.00 0.55 O ATOM 0 H TYR A 110 0.961 2.442 -8.422 1.00 44.44 H new ATOM 0 HA TYR A 110 0.712 0.162 -6.678 1.00 21.13 H new ATOM 0 HB2 TYR A 110 1.592 0.710 -9.450 1.00 0.43 H new ATOM 0 HB3 TYR A 110 2.519 -0.542 -8.646 1.00 0.43 H new ATOM 0 HD1 TYR A 110 0.768 -2.258 -7.213 1.00 12.12 H new ATOM 0 HD2 TYR A 110 -0.040 -0.084 -10.832 1.00 33.32 H new ATOM 0 HE1 TYR A 110 -0.907 -3.971 -7.874 1.00 13.34 H new ATOM 0 HE2 TYR A 110 -1.729 -1.763 -11.487 1.00 51.25 H new ATOM 0 HH TYR A 110 -2.775 -3.658 -10.942 1.00 0.55 H new ATOM 1841 N MET A 111 2.929 0.118 -5.512 1.00 44.12 N ATOM 1842 CA MET A 111 4.142 0.058 -4.719 1.00 63.21 C ATOM 1843 C MET A 111 4.392 -1.386 -4.267 1.00 41.21 C ATOM 1844 O MET A 111 3.464 -2.152 -4.007 1.00 60.35 O ATOM 1845 CB MET A 111 4.020 1.029 -3.536 1.00 51.04 C ATOM 1846 CG MET A 111 4.457 2.443 -3.939 1.00 33.22 C ATOM 1847 SD MET A 111 4.306 3.763 -2.695 1.00 71.34 S ATOM 1848 CE MET A 111 4.254 2.866 -1.117 1.00 41.25 C ATOM 0 H MET A 111 2.171 -0.435 -5.112 1.00 44.12 H new ATOM 0 HA MET A 111 5.003 0.364 -5.312 1.00 63.21 H new ATOM 0 HB2 MET A 111 2.989 1.050 -3.183 1.00 51.04 H new ATOM 0 HB3 MET A 111 4.634 0.677 -2.707 1.00 51.04 H new ATOM 0 HG2 MET A 111 5.500 2.395 -4.252 1.00 33.22 H new ATOM 0 HG3 MET A 111 3.875 2.737 -4.813 1.00 33.22 H new ATOM 0 HE1 MET A 111 4.378 3.570 -0.294 1.00 41.25 H new ATOM 0 HE2 MET A 111 3.295 2.358 -1.019 1.00 41.25 H new ATOM 0 HE3 MET A 111 5.058 2.131 -1.090 1.00 41.25 H new ATOM 1858 N VAL A 112 5.658 -1.784 -4.160 1.00 35.22 N ATOM 1859 CA VAL A 112 6.047 -3.116 -3.713 1.00 22.44 C ATOM 1860 C VAL A 112 7.219 -2.980 -2.745 1.00 73.12 C ATOM 1861 O VAL A 112 7.907 -1.956 -2.767 1.00 12.12 O ATOM 1862 CB VAL A 112 6.346 -4.108 -4.870 1.00 33.30 C ATOM 1863 CG1 VAL A 112 5.060 -4.761 -5.401 1.00 0.30 C ATOM 1864 CG2 VAL A 112 7.108 -3.568 -6.081 1.00 4.30 C ATOM 0 H VAL A 112 6.450 -1.182 -4.384 1.00 35.22 H new ATOM 0 HA VAL A 112 5.195 -3.563 -3.201 1.00 22.44 H new ATOM 0 HB VAL A 112 7.011 -4.818 -4.379 1.00 33.30 H new ATOM 0 HG11 VAL A 112 5.308 -5.449 -6.209 1.00 0.30 H new ATOM 0 HG12 VAL A 112 4.571 -5.309 -4.596 1.00 0.30 H new ATOM 0 HG13 VAL A 112 4.388 -3.989 -5.775 1.00 0.30 H new ATOM 0 HG21 VAL A 112 7.247 -4.367 -6.809 1.00 4.30 H new ATOM 0 HG22 VAL A 112 6.540 -2.757 -6.536 1.00 4.30 H new ATOM 0 HG23 VAL A 112 8.081 -3.195 -5.762 1.00 4.30 H new ATOM 1874 N TYR A 113 7.400 -3.940 -1.840 1.00 75.24 N ATOM 1875 CA TYR A 113 8.516 -3.917 -0.890 1.00 31.23 C ATOM 1876 C TYR A 113 9.217 -5.288 -0.820 1.00 2.11 C ATOM 1877 O TYR A 113 8.570 -6.344 -0.932 1.00 51.04 O ATOM 1878 CB TYR A 113 8.064 -3.402 0.484 1.00 60.35 C ATOM 1879 CG TYR A 113 7.247 -4.417 1.238 1.00 0.43 C ATOM 1880 CD1 TYR A 113 5.954 -4.732 0.793 1.00 62.41 C ATOM 1881 CD2 TYR A 113 7.839 -5.151 2.279 1.00 2.44 C ATOM 1882 CE1 TYR A 113 5.293 -5.849 1.311 1.00 33.13 C ATOM 1883 CE2 TYR A 113 7.155 -6.230 2.850 1.00 23.54 C ATOM 1884 CZ TYR A 113 5.893 -6.603 2.339 1.00 12.02 C ATOM 1885 OH TYR A 113 5.244 -7.696 2.805 1.00 74.54 O ATOM 0 H TYR A 113 6.786 -4.749 -1.743 1.00 75.24 H new ATOM 0 HA TYR A 113 9.262 -3.210 -1.253 1.00 31.23 H new ATOM 0 HB2 TYR A 113 8.940 -3.134 1.075 1.00 60.35 H new ATOM 0 HB3 TYR A 113 7.478 -2.493 0.353 1.00 60.35 H new ATOM 0 HD1 TYR A 113 5.471 -4.113 0.052 1.00 62.41 H new ATOM 0 HD2 TYR A 113 8.821 -4.883 2.638 1.00 2.44 H new ATOM 0 HE1 TYR A 113 4.325 -6.133 0.925 1.00 33.13 H new ATOM 0 HE2 TYR A 113 7.590 -6.774 3.676 1.00 23.54 H new ATOM 0 HH TYR A 113 5.839 -8.203 3.396 1.00 74.54 H new ATOM 1895 N ALA A 114 10.552 -5.250 -0.666 1.00 74.22 N ATOM 1896 CA ALA A 114 11.439 -6.419 -0.565 1.00 63.45 C ATOM 1897 C ALA A 114 12.768 -6.095 0.138 1.00 2.02 C ATOM 1898 O ALA A 114 13.043 -4.936 0.455 1.00 61.44 O ATOM 1899 CB ALA A 114 11.774 -6.891 -1.982 1.00 53.02 C ATOM 0 H ALA A 114 11.061 -4.368 -0.606 1.00 74.22 H new ATOM 0 HA ALA A 114 10.917 -7.177 0.019 1.00 63.45 H new ATOM 0 HB1 ALA A 114 12.432 -7.759 -1.931 1.00 53.02 H new ATOM 0 HB2 ALA A 114 10.855 -7.163 -2.502 1.00 53.02 H new ATOM 0 HB3 ALA A 114 12.274 -6.088 -2.524 1.00 53.02 H new ATOM 1905 N SER A 115 13.611 -7.108 0.361 1.00 23.14 N ATOM 1906 CA SER A 115 14.925 -6.983 0.981 1.00 32.21 C ATOM 1907 C SER A 115 15.955 -7.083 -0.155 1.00 61.43 C ATOM 1908 O SER A 115 16.665 -8.087 -0.279 1.00 42.41 O ATOM 1909 CB SER A 115 15.067 -8.098 2.041 1.00 71.52 C ATOM 1910 OG SER A 115 16.388 -8.230 2.530 1.00 55.42 O ATOM 0 H SER A 115 13.385 -8.069 0.104 1.00 23.14 H new ATOM 0 HA SER A 115 15.076 -6.036 1.500 1.00 32.21 H new ATOM 0 HB2 SER A 115 14.396 -7.887 2.874 1.00 71.52 H new ATOM 0 HB3 SER A 115 14.749 -9.046 1.608 1.00 71.52 H new ATOM 0 HG SER A 115 17.005 -8.349 1.778 1.00 55.42 H new ATOM 1916 N GLN A 116 16.107 -5.999 -0.918 1.00 75.54 N ATOM 1917 CA GLN A 116 17.015 -5.843 -2.048 1.00 53.03 C ATOM 1918 C GLN A 116 16.864 -4.411 -2.555 1.00 22.22 C ATOM 1919 O GLN A 116 15.764 -3.863 -2.481 1.00 63.45 O ATOM 1920 CB GLN A 116 16.670 -6.838 -3.171 1.00 43.25 C ATOM 1921 CG GLN A 116 15.264 -6.687 -3.764 1.00 35.40 C ATOM 1922 CD GLN A 116 14.867 -7.960 -4.501 1.00 23.11 C ATOM 1923 OE1 GLN A 116 13.969 -8.673 -4.068 1.00 63.52 O ATOM 1924 NE2 GLN A 116 15.517 -8.279 -5.605 1.00 23.21 N ATOM 0 H GLN A 116 15.562 -5.154 -0.749 1.00 75.54 H new ATOM 0 HA GLN A 116 18.040 -6.043 -1.737 1.00 53.03 H new ATOM 0 HB2 GLN A 116 17.400 -6.725 -3.973 1.00 43.25 H new ATOM 0 HB3 GLN A 116 16.777 -7.851 -2.783 1.00 43.25 H new ATOM 0 HG2 GLN A 116 14.547 -6.478 -2.970 1.00 35.40 H new ATOM 0 HG3 GLN A 116 15.239 -5.839 -4.448 1.00 35.40 H new ATOM 0 HE21 GLN A 116 16.262 -7.674 -5.951 1.00 23.21 H new ATOM 0 HE22 GLN A 116 15.274 -9.130 -6.112 1.00 23.21 H new ATOM 1933 N GLU A 117 17.947 -3.813 -3.043 1.00 71.55 N ATOM 1934 CA GLU A 117 17.940 -2.450 -3.564 1.00 40.22 C ATOM 1935 C GLU A 117 17.639 -2.449 -5.075 1.00 53.05 C ATOM 1936 O GLU A 117 17.204 -1.433 -5.628 1.00 22.10 O ATOM 1937 CB GLU A 117 19.305 -1.815 -3.233 1.00 62.15 C ATOM 1938 CG GLU A 117 19.307 -0.288 -3.375 1.00 21.40 C ATOM 1939 CD GLU A 117 20.650 0.337 -2.976 1.00 24.20 C ATOM 1940 OE1 GLU A 117 20.997 0.439 -1.776 1.00 62.12 O ATOM 1941 OE2 GLU A 117 21.375 0.785 -3.898 1.00 1.21 O ATOM 0 H GLU A 117 18.861 -4.264 -3.088 1.00 71.55 H new ATOM 0 HA GLU A 117 17.151 -1.858 -3.100 1.00 40.22 H new ATOM 0 HB2 GLU A 117 19.585 -2.080 -2.213 1.00 62.15 H new ATOM 0 HB3 GLU A 117 20.065 -2.236 -3.891 1.00 62.15 H new ATOM 0 HG2 GLU A 117 19.078 -0.022 -4.407 1.00 21.40 H new ATOM 0 HG3 GLU A 117 18.516 0.132 -2.755 1.00 21.40 H new ATOM 1948 N THR A 118 17.810 -3.601 -5.731 1.00 44.22 N ATOM 1949 CA THR A 118 17.613 -3.842 -7.156 1.00 33.14 C ATOM 1950 C THR A 118 16.886 -5.178 -7.380 1.00 41.11 C ATOM 1951 O THR A 118 17.020 -6.105 -6.575 1.00 43.35 O ATOM 1952 CB THR A 118 19.006 -3.852 -7.832 1.00 41.01 C ATOM 1953 OG1 THR A 118 19.956 -4.561 -7.043 1.00 3.14 O ATOM 1954 CG2 THR A 118 19.536 -2.429 -8.034 1.00 62.14 C ATOM 0 H THR A 118 18.110 -4.445 -5.243 1.00 44.22 H new ATOM 0 HA THR A 118 16.993 -3.058 -7.591 1.00 33.14 H new ATOM 0 HB THR A 118 18.879 -4.343 -8.797 1.00 41.01 H new ATOM 0 HG1 THR A 118 20.826 -4.553 -7.494 1.00 3.14 H new ATOM 0 HG21 THR A 118 20.515 -2.470 -8.511 1.00 62.14 H new ATOM 0 HG22 THR A 118 18.847 -1.871 -8.668 1.00 62.14 H new ATOM 0 HG23 THR A 118 19.623 -1.933 -7.068 1.00 62.14 H new ATOM 1962 N PHE A 119 16.088 -5.267 -8.450 1.00 31.44 N ATOM 1963 CA PHE A 119 15.339 -6.459 -8.848 1.00 15.11 C ATOM 1964 C PHE A 119 16.105 -7.196 -9.929 1.00 22.21 C ATOM 1965 O PHE A 119 15.961 -8.432 -10.011 1.00 32.33 O ATOM 1966 CB PHE A 119 13.934 -6.091 -9.357 1.00 74.55 C ATOM 1967 CG PHE A 119 12.864 -5.769 -8.326 1.00 14.11 C ATOM 1968 CD1 PHE A 119 13.026 -6.064 -6.958 1.00 32.44 C ATOM 1969 CD2 PHE A 119 11.641 -5.234 -8.769 1.00 14.12 C ATOM 1970 CE1 PHE A 119 11.972 -5.860 -6.054 1.00 22.41 C ATOM 1971 CE2 PHE A 119 10.584 -5.022 -7.869 1.00 33.44 C ATOM 1972 CZ PHE A 119 10.749 -5.344 -6.512 1.00 3.02 C ATOM 0 H PHE A 119 15.942 -4.481 -9.084 1.00 31.44 H new ATOM 0 HA PHE A 119 15.221 -7.101 -7.975 1.00 15.11 H new ATOM 0 HB2 PHE A 119 14.033 -5.229 -10.016 1.00 74.55 H new ATOM 0 HB3 PHE A 119 13.572 -6.919 -9.967 1.00 74.55 H new ATOM 0 HD1 PHE A 119 13.969 -6.450 -6.602 1.00 32.44 H new ATOM 0 HD2 PHE A 119 11.513 -4.984 -9.812 1.00 14.12 H new ATOM 0 HE1 PHE A 119 12.101 -6.099 -5.009 1.00 22.41 H new ATOM 0 HE2 PHE A 119 9.648 -4.613 -8.219 1.00 33.44 H new ATOM 0 HZ PHE A 119 9.934 -5.194 -5.820 1.00 3.02 H new ATOM 2101 N PHE B 178 -8.979 -0.914 2.894 1.00 42.51 N ATOM 2102 CA PHE B 178 -7.992 0.149 3.001 1.00 13.22 C ATOM 2103 C PHE B 178 -7.580 0.361 4.450 1.00 50.20 C ATOM 2104 O PHE B 178 -8.453 0.463 5.312 1.00 62.43 O ATOM 2105 CB PHE B 178 -8.595 1.458 2.473 1.00 1.35 C ATOM 2106 CG PHE B 178 -8.849 1.486 0.981 1.00 51.42 C ATOM 2107 CD1 PHE B 178 -10.052 0.978 0.451 1.00 42.11 C ATOM 2108 CD2 PHE B 178 -7.893 2.061 0.123 1.00 72.32 C ATOM 2109 CE1 PHE B 178 -10.287 1.017 -0.933 1.00 1.53 C ATOM 2110 CE2 PHE B 178 -8.129 2.093 -1.259 1.00 40.20 C ATOM 2111 CZ PHE B 178 -9.321 1.566 -1.791 1.00 61.23 C ATOM 0 HA PHE B 178 -7.117 -0.137 2.417 1.00 13.22 H new ATOM 0 HB2 PHE B 178 -9.536 1.642 2.991 1.00 1.35 H new ATOM 0 HB3 PHE B 178 -7.925 2.279 2.728 1.00 1.35 H new ATOM 0 HD1 PHE B 178 -10.796 0.557 1.111 1.00 42.11 H new ATOM 0 HD2 PHE B 178 -6.981 2.476 0.527 1.00 72.32 H new ATOM 0 HE1 PHE B 178 -11.209 0.625 -1.336 1.00 1.53 H new ATOM 0 HE2 PHE B 178 -7.392 2.525 -1.919 1.00 40.20 H new ATOM 0 HZ PHE B 178 -9.492 1.584 -2.857 1.00 61.23 H new ATOM 2121 N VAL B 179 -6.272 0.442 4.716 1.00 63.12 N ATOM 2122 CA VAL B 179 -5.740 0.672 6.054 1.00 24.24 C ATOM 2123 C VAL B 179 -4.943 1.977 6.040 1.00 14.24 C ATOM 2124 O VAL B 179 -3.985 2.157 5.283 1.00 14.45 O ATOM 2125 CB VAL B 179 -5.029 -0.577 6.610 1.00 32.35 C ATOM 2126 CG1 VAL B 179 -3.607 -0.788 6.089 1.00 64.31 C ATOM 2127 CG2 VAL B 179 -4.987 -0.543 8.144 1.00 3.44 C ATOM 0 H VAL B 179 -5.551 0.348 4.000 1.00 63.12 H new ATOM 0 HA VAL B 179 -6.536 0.820 6.784 1.00 24.24 H new ATOM 0 HB VAL B 179 -5.627 -1.415 6.251 1.00 32.35 H new ATOM 0 HG11 VAL B 179 -3.186 -1.690 6.534 1.00 64.31 H new ATOM 0 HG12 VAL B 179 -3.629 -0.895 5.004 1.00 64.31 H new ATOM 0 HG13 VAL B 179 -2.990 0.070 6.356 1.00 64.31 H new ATOM 0 HG21 VAL B 179 -4.481 -1.435 8.514 1.00 3.44 H new ATOM 0 HG22 VAL B 179 -4.447 0.344 8.474 1.00 3.44 H new ATOM 0 HG23 VAL B 179 -6.004 -0.515 8.535 1.00 3.44 H new ATOM 2137 N GLU B 180 -5.419 2.954 6.796 1.00 34.11 N ATOM 2138 CA GLU B 180 -4.789 4.260 6.910 1.00 62.13 C ATOM 2139 C GLU B 180 -3.545 4.200 7.794 1.00 50.30 C ATOM 2140 O GLU B 180 -3.420 3.308 8.648 1.00 41.12 O ATOM 2141 CB GLU B 180 -5.814 5.297 7.393 1.00 61.44 C ATOM 2142 CG GLU B 180 -6.156 5.154 8.883 1.00 4.51 C ATOM 2143 CD GLU B 180 -7.600 5.553 9.186 1.00 14.41 C ATOM 2144 OE1 GLU B 180 -8.483 4.675 9.011 1.00 3.42 O ATOM 2145 OE2 GLU B 180 -7.847 6.692 9.654 1.00 10.13 O ATOM 0 H GLU B 180 -6.266 2.860 7.356 1.00 34.11 H new ATOM 0 HA GLU B 180 -4.444 4.577 5.926 1.00 62.13 H new ATOM 0 HB2 GLU B 180 -5.424 6.298 7.210 1.00 61.44 H new ATOM 0 HB3 GLU B 180 -6.727 5.199 6.805 1.00 61.44 H new ATOM 0 HG2 GLU B 180 -5.993 4.122 9.194 1.00 4.51 H new ATOM 0 HG3 GLU B 180 -5.479 5.774 9.470 1.00 4.51 H new ATOM 2152 N ILE B 181 -2.627 5.154 7.615 1.00 12.42 N ATOM 2153 CA ILE B 181 -1.437 5.158 8.466 1.00 72.13 C ATOM 2154 C ILE B 181 -1.874 5.682 9.843 1.00 72.31 C ATOM 2155 O ILE B 181 -2.667 6.616 9.960 1.00 43.35 O ATOM 2156 CB ILE B 181 -0.382 6.085 7.843 1.00 23.12 C ATOM 2157 CG1 ILE B 181 0.217 5.402 6.603 1.00 34.04 C ATOM 2158 CG2 ILE B 181 0.751 6.458 8.810 1.00 71.24 C ATOM 2159 CD1 ILE B 181 1.199 6.357 5.946 1.00 5.14 C ATOM 0 H ILE B 181 -2.678 5.901 6.922 1.00 12.42 H new ATOM 0 HA ILE B 181 -1.003 4.163 8.562 1.00 72.13 H new ATOM 0 HB ILE B 181 -0.890 7.013 7.580 1.00 23.12 H new ATOM 0 HG12 ILE B 181 0.721 4.478 6.887 1.00 34.04 H new ATOM 0 HG13 ILE B 181 -0.573 5.131 5.902 1.00 34.04 H new ATOM 0 HG21 ILE B 181 1.460 7.114 8.304 1.00 71.24 H new ATOM 0 HG22 ILE B 181 0.335 6.972 9.677 1.00 71.24 H new ATOM 0 HG23 ILE B 181 1.263 5.553 9.136 1.00 71.24 H new ATOM 0 HD11 ILE B 181 1.632 5.884 5.064 1.00 5.14 H new ATOM 0 HD12 ILE B 181 0.678 7.268 5.651 1.00 5.14 H new ATOM 0 HD13 ILE B 181 1.993 6.605 6.651 1.00 5.14 H new ATOM 2171 N ARG B 182 -1.354 5.035 10.890 1.00 24.04 N ATOM 2172 CA ARG B 182 -1.625 5.328 12.294 1.00 21.31 C ATOM 2173 C ARG B 182 -0.860 6.564 12.744 1.00 74.33 C ATOM 2174 O ARG B 182 0.362 6.497 12.891 1.00 33.31 O ATOM 2175 CB ARG B 182 -1.231 4.125 13.157 1.00 22.01 C ATOM 2176 CG ARG B 182 -1.952 2.838 12.728 1.00 43.32 C ATOM 2177 CD ARG B 182 -1.518 1.673 13.607 1.00 11.23 C ATOM 2178 NE ARG B 182 -1.949 1.884 14.996 1.00 42.34 N ATOM 2179 CZ ARG B 182 -1.275 1.614 16.114 1.00 34.23 C ATOM 2180 NH1 ARG B 182 -0.102 0.988 16.058 1.00 13.40 N ATOM 2181 NH2 ARG B 182 -1.800 1.992 17.276 1.00 31.41 N ATOM 0 H ARG B 182 -0.704 4.258 10.773 1.00 24.04 H new ATOM 0 HA ARG B 182 -2.691 5.524 12.410 1.00 21.31 H new ATOM 0 HB2 ARG B 182 -0.153 3.973 13.094 1.00 22.01 H new ATOM 0 HB3 ARG B 182 -1.463 4.338 14.201 1.00 22.01 H new ATOM 0 HG2 ARG B 182 -3.031 2.976 12.801 1.00 43.32 H new ATOM 0 HG3 ARG B 182 -1.728 2.618 11.684 1.00 43.32 H new ATOM 0 HD2 ARG B 182 -1.943 0.745 13.226 1.00 11.23 H new ATOM 0 HD3 ARG B 182 -0.434 1.566 13.569 1.00 11.23 H new ATOM 0 HE ARG B 182 -2.878 2.286 15.120 1.00 42.34 H new ATOM 0 HH11 ARG B 182 0.286 0.712 15.156 1.00 13.40 H new ATOM 0 HH12 ARG B 182 0.409 0.784 16.917 1.00 13.40 H new ATOM 0 HH21 ARG B 182 -2.698 2.476 17.297 1.00 31.41 H new ATOM 0 HH22 ARG B 182 -1.305 1.798 18.146 1.00 31.41 H new