USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 449 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 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 61 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.6) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl -121:sc= -2.03 (180deg=-5.6!) USER MOD Single : A 34 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.977 F(o=-0.0088,f=0.98) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0925 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.512 USER MOD Single : A 67 GLN : amide:sc= -0.0512 K(o=-0.051,f=-0.73) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -68:sc= 0.685 USER MOD ----------------------------------------------------------------- ATOM 67 N GLU A 6 9.741 -9.673 -3.507 1.00 10.13 N ATOM 68 CA GLU A 6 11.003 -9.701 -4.236 1.00 61.44 C ATOM 69 C GLU A 6 11.841 -10.910 -3.828 1.00 14.21 C ATOM 70 O GLU A 6 12.204 -11.737 -4.664 1.00 14.33 O ATOM 71 CB GLU A 6 11.791 -8.413 -3.987 1.00 71.53 C ATOM 72 CG GLU A 6 11.108 -7.168 -4.528 1.00 64.32 C ATOM 73 CD GLU A 6 11.929 -6.471 -5.596 1.00 13.42 C ATOM 74 OE1 GLU A 6 11.954 -6.964 -6.742 1.00 63.44 O ATOM 75 OE2 GLU A 6 12.545 -5.430 -5.284 1.00 31.00 O ATOM 0 HA GLU A 6 10.777 -9.780 -5.299 1.00 61.44 H new ATOM 0 HB2 GLU A 6 11.948 -8.294 -2.915 1.00 71.53 H new ATOM 0 HB3 GLU A 6 12.776 -8.505 -4.445 1.00 71.53 H new ATOM 0 HG2 GLU A 6 10.137 -7.441 -4.942 1.00 64.32 H new ATOM 0 HG3 GLU A 6 10.922 -6.475 -3.708 1.00 64.32 H new ATOM 82 N GLU A 7 12.143 -11.004 -2.537 1.00 5.52 N ATOM 83 CA GLU A 7 12.939 -12.110 -2.018 1.00 2.31 C ATOM 84 C GLU A 7 12.257 -13.447 -2.293 1.00 12.35 C ATOM 85 O GLU A 7 12.917 -14.477 -2.418 1.00 61.35 O ATOM 86 CB GLU A 7 13.168 -11.941 -0.514 1.00 45.05 C ATOM 87 CG GLU A 7 13.891 -13.114 0.126 1.00 10.05 C ATOM 88 CD GLU A 7 14.927 -12.676 1.143 1.00 10.14 C ATOM 89 OE1 GLU A 7 14.610 -11.800 1.975 1.00 34.41 O ATOM 90 OE2 GLU A 7 16.056 -13.209 1.107 1.00 34.51 O ATOM 0 H GLU A 7 11.849 -10.328 -1.832 1.00 5.52 H new ATOM 0 HA GLU A 7 13.902 -12.102 -2.528 1.00 2.31 H new ATOM 0 HB2 GLU A 7 13.745 -11.032 -0.342 1.00 45.05 H new ATOM 0 HB3 GLU A 7 12.205 -11.806 -0.021 1.00 45.05 H new ATOM 0 HG2 GLU A 7 13.163 -13.764 0.611 1.00 10.05 H new ATOM 0 HG3 GLU A 7 14.377 -13.704 -0.651 1.00 10.05 H new ATOM 97 N GLU A 8 10.931 -13.420 -2.383 1.00 72.03 N ATOM 98 CA GLU A 8 10.159 -14.630 -2.641 1.00 51.14 C ATOM 99 C GLU A 8 10.494 -15.206 -4.014 1.00 72.41 C ATOM 100 O GLU A 8 10.175 -16.359 -4.309 1.00 45.33 O ATOM 101 CB GLU A 8 8.660 -14.334 -2.552 1.00 63.30 C ATOM 102 CG GLU A 8 7.807 -15.574 -2.343 1.00 52.03 C ATOM 103 CD GLU A 8 6.551 -15.567 -3.193 1.00 32.21 C ATOM 104 OE1 GLU A 8 6.059 -14.465 -3.514 1.00 75.21 O ATOM 105 OE2 GLU A 8 6.060 -16.663 -3.536 1.00 41.11 O ATOM 0 H GLU A 8 10.370 -12.575 -2.281 1.00 72.03 H new ATOM 0 HA GLU A 8 10.422 -15.367 -1.882 1.00 51.14 H new ATOM 0 HB2 GLU A 8 8.483 -13.639 -1.731 1.00 63.30 H new ATOM 0 HB3 GLU A 8 8.342 -13.834 -3.467 1.00 63.30 H new ATOM 0 HG2 GLU A 8 8.396 -16.460 -2.579 1.00 52.03 H new ATOM 0 HG3 GLU A 8 7.529 -15.647 -1.291 1.00 52.03 H new ATOM 112 N ILE A 9 11.137 -14.397 -4.848 1.00 51.44 N ATOM 113 CA ILE A 9 11.515 -14.826 -6.189 1.00 3.20 C ATOM 114 C ILE A 9 12.818 -15.617 -6.165 1.00 64.55 C ATOM 115 O ILE A 9 12.966 -16.611 -6.877 1.00 73.30 O ATOM 116 CB ILE A 9 11.674 -13.625 -7.141 1.00 22.25 C ATOM 117 CG1 ILE A 9 10.374 -12.822 -7.204 1.00 53.35 C ATOM 118 CG2 ILE A 9 12.079 -14.099 -8.528 1.00 61.33 C ATOM 119 CD1 ILE A 9 10.499 -11.530 -7.982 1.00 21.11 C ATOM 0 H ILE A 9 11.407 -13.440 -4.619 1.00 51.44 H new ATOM 0 HA ILE A 9 10.711 -15.465 -6.555 1.00 3.20 H new ATOM 0 HB ILE A 9 12.461 -12.976 -6.757 1.00 22.25 H new ATOM 0 HG12 ILE A 9 9.598 -13.437 -7.659 1.00 53.35 H new ATOM 0 HG13 ILE A 9 10.047 -12.596 -6.189 1.00 53.35 H new ATOM 0 HG21 ILE A 9 12.187 -13.239 -9.189 1.00 61.33 H new ATOM 0 HG22 ILE A 9 13.028 -14.632 -8.468 1.00 61.33 H new ATOM 0 HG23 ILE A 9 11.313 -14.766 -8.923 1.00 61.33 H new ATOM 0 HD11 ILE A 9 9.539 -11.013 -7.985 1.00 21.11 H new ATOM 0 HD12 ILE A 9 11.252 -10.895 -7.515 1.00 21.11 H new ATOM 0 HD13 ILE A 9 10.796 -11.750 -9.007 1.00 21.11 H new ATOM 131 N ARG A 10 13.761 -15.171 -5.341 1.00 73.15 N ATOM 132 CA ARG A 10 15.052 -15.838 -5.224 1.00 72.24 C ATOM 133 C ARG A 10 14.871 -17.331 -4.963 1.00 11.43 C ATOM 134 O ARG A 10 15.573 -18.161 -5.539 1.00 51.42 O ATOM 135 CB ARG A 10 15.875 -15.208 -4.099 1.00 60.43 C ATOM 136 CG ARG A 10 17.101 -16.020 -3.713 1.00 74.44 C ATOM 137 CD ARG A 10 16.858 -16.828 -2.448 1.00 1.22 C ATOM 138 NE ARG A 10 18.041 -16.872 -1.592 1.00 33.30 N ATOM 139 CZ ARG A 10 18.002 -17.181 -0.300 1.00 41.45 C ATOM 140 NH1 ARG A 10 16.846 -17.471 0.281 1.00 43.51 N ATOM 141 NH2 ARG A 10 19.121 -17.200 0.412 1.00 3.00 N ATOM 0 H ARG A 10 13.655 -14.350 -4.745 1.00 73.15 H new ATOM 0 HA ARG A 10 15.584 -15.714 -6.167 1.00 72.24 H new ATOM 0 HB2 ARG A 10 16.192 -14.211 -4.406 1.00 60.43 H new ATOM 0 HB3 ARG A 10 15.240 -15.084 -3.221 1.00 60.43 H new ATOM 0 HG2 ARG A 10 17.366 -16.691 -4.530 1.00 74.44 H new ATOM 0 HG3 ARG A 10 17.949 -15.352 -3.562 1.00 74.44 H new ATOM 0 HD2 ARG A 10 16.026 -16.393 -1.894 1.00 1.22 H new ATOM 0 HD3 ARG A 10 16.567 -17.843 -2.717 1.00 1.22 H new ATOM 0 HE ARG A 10 18.946 -16.654 -2.009 1.00 33.30 H new ATOM 0 HH11 ARG A 10 15.984 -17.457 -0.264 1.00 43.51 H new ATOM 0 HH12 ARG A 10 16.819 -17.708 1.273 1.00 43.51 H new ATOM 0 HH21 ARG A 10 20.012 -16.977 -0.032 1.00 3.00 H new ATOM 0 HH22 ARG A 10 19.091 -17.437 1.404 1.00 3.00 H new ATOM 155 N GLU A 11 13.925 -17.663 -4.089 1.00 43.23 N ATOM 156 CA GLU A 11 13.654 -19.055 -3.751 1.00 11.11 C ATOM 157 C GLU A 11 12.761 -19.706 -4.803 1.00 31.41 C ATOM 158 O GLU A 11 12.776 -20.925 -4.977 1.00 12.42 O ATOM 159 CB GLU A 11 12.991 -19.149 -2.375 1.00 4.31 C ATOM 160 CG GLU A 11 13.939 -18.864 -1.222 1.00 44.42 C ATOM 161 CD GLU A 11 13.741 -19.811 -0.055 1.00 72.33 C ATOM 162 OE1 GLU A 11 14.205 -20.967 -0.143 1.00 72.24 O ATOM 163 OE2 GLU A 11 13.121 -19.396 0.946 1.00 30.24 O ATOM 0 H GLU A 11 13.335 -16.988 -3.603 1.00 43.23 H new ATOM 0 HA GLU A 11 14.605 -19.588 -3.726 1.00 11.11 H new ATOM 0 HB2 GLU A 11 12.159 -18.446 -2.333 1.00 4.31 H new ATOM 0 HB3 GLU A 11 12.571 -20.147 -2.251 1.00 4.31 H new ATOM 0 HG2 GLU A 11 14.967 -18.939 -1.575 1.00 44.42 H new ATOM 0 HG3 GLU A 11 13.793 -17.839 -0.882 1.00 44.42 H new ATOM 170 N ALA A 12 11.984 -18.885 -5.501 1.00 74.34 N ATOM 171 CA ALA A 12 11.085 -19.380 -6.537 1.00 21.31 C ATOM 172 C ALA A 12 11.866 -19.980 -7.701 1.00 25.52 C ATOM 173 O ALA A 12 11.480 -21.009 -8.256 1.00 61.12 O ATOM 174 CB ALA A 12 10.179 -18.261 -7.028 1.00 72.34 C ATOM 0 H ALA A 12 11.959 -17.874 -5.368 1.00 74.34 H new ATOM 0 HA ALA A 12 10.469 -20.167 -6.103 1.00 21.31 H new ATOM 0 HB1 ALA A 12 9.513 -18.645 -7.801 1.00 72.34 H new ATOM 0 HB2 ALA A 12 9.587 -17.880 -6.196 1.00 72.34 H new ATOM 0 HB3 ALA A 12 10.787 -17.455 -7.440 1.00 72.34 H new ATOM 180 N PHE A 13 12.967 -19.331 -8.066 1.00 30.20 N ATOM 181 CA PHE A 13 13.802 -19.800 -9.166 1.00 20.34 C ATOM 182 C PHE A 13 14.759 -20.891 -8.695 1.00 22.34 C ATOM 183 O PHE A 13 15.291 -21.655 -9.500 1.00 62.22 O ATOM 184 CB PHE A 13 14.593 -18.636 -9.766 1.00 22.23 C ATOM 185 CG PHE A 13 13.918 -17.997 -10.946 1.00 31.55 C ATOM 186 CD1 PHE A 13 13.924 -18.619 -12.184 1.00 42.31 C ATOM 187 CD2 PHE A 13 13.276 -16.776 -10.816 1.00 64.31 C ATOM 188 CE1 PHE A 13 13.304 -18.033 -13.271 1.00 43.34 C ATOM 189 CE2 PHE A 13 12.654 -16.186 -11.900 1.00 3.41 C ATOM 190 CZ PHE A 13 12.667 -16.815 -13.129 1.00 25.31 C ATOM 0 H PHE A 13 13.302 -18.479 -7.616 1.00 30.20 H new ATOM 0 HA PHE A 13 13.149 -20.219 -9.932 1.00 20.34 H new ATOM 0 HB2 PHE A 13 14.753 -17.881 -8.996 1.00 22.23 H new ATOM 0 HB3 PHE A 13 15.576 -18.994 -10.070 1.00 22.23 H new ATOM 0 HD1 PHE A 13 14.419 -19.572 -12.301 1.00 42.31 H new ATOM 0 HD2 PHE A 13 13.261 -16.280 -9.857 1.00 64.31 H new ATOM 0 HE1 PHE A 13 13.317 -18.527 -14.231 1.00 43.34 H new ATOM 0 HE2 PHE A 13 12.158 -15.233 -11.786 1.00 3.41 H new ATOM 0 HZ PHE A 13 12.181 -16.356 -13.977 1.00 25.31 H new ATOM 200 N ARG A 14 14.974 -20.957 -7.385 1.00 14.24 N ATOM 201 CA ARG A 14 15.868 -21.952 -6.806 1.00 33.33 C ATOM 202 C ARG A 14 15.150 -23.286 -6.622 1.00 61.44 C ATOM 203 O ARG A 14 15.741 -24.351 -6.803 1.00 21.20 O ATOM 204 CB ARG A 14 16.408 -21.463 -5.461 1.00 1.31 C ATOM 205 CG ARG A 14 17.921 -21.316 -5.429 1.00 74.13 C ATOM 206 CD ARG A 14 18.336 -19.865 -5.246 1.00 11.30 C ATOM 207 NE ARG A 14 19.717 -19.634 -5.661 1.00 21.15 N ATOM 208 CZ ARG A 14 20.441 -18.595 -5.260 1.00 53.52 C ATOM 209 NH1 ARG A 14 19.917 -17.695 -4.439 1.00 40.10 N ATOM 210 NH2 ARG A 14 21.691 -18.454 -5.681 1.00 2.40 N ATOM 0 H ARG A 14 14.541 -20.333 -6.705 1.00 14.24 H new ATOM 0 HA ARG A 14 16.701 -22.098 -7.493 1.00 33.33 H new ATOM 0 HB2 ARG A 14 15.953 -20.501 -5.224 1.00 1.31 H new ATOM 0 HB3 ARG A 14 16.103 -22.161 -4.681 1.00 1.31 H new ATOM 0 HG2 ARG A 14 18.329 -21.917 -4.617 1.00 74.13 H new ATOM 0 HG3 ARG A 14 18.345 -21.703 -6.356 1.00 74.13 H new ATOM 0 HD2 ARG A 14 17.672 -19.222 -5.824 1.00 11.30 H new ATOM 0 HD3 ARG A 14 18.220 -19.584 -4.199 1.00 11.30 H new ATOM 0 HE ARG A 14 20.149 -20.307 -6.293 1.00 21.15 H new ATOM 0 HH11 ARG A 14 18.956 -17.800 -4.114 1.00 40.10 H new ATOM 0 HH12 ARG A 14 20.475 -16.898 -4.133 1.00 40.10 H new ATOM 0 HH21 ARG A 14 22.097 -19.144 -6.313 1.00 2.40 H new ATOM 0 HH22 ARG A 14 22.246 -17.656 -5.372 1.00 2.40 H new ATOM 224 N VAL A 15 13.872 -23.221 -6.262 1.00 3.40 N ATOM 225 CA VAL A 15 13.074 -24.423 -6.055 1.00 14.34 C ATOM 226 C VAL A 15 12.761 -25.110 -7.379 1.00 61.10 C ATOM 227 O VAL A 15 12.517 -26.316 -7.423 1.00 31.05 O ATOM 228 CB VAL A 15 11.752 -24.101 -5.332 1.00 3.24 C ATOM 229 CG1 VAL A 15 10.880 -25.343 -5.235 1.00 21.24 C ATOM 230 CG2 VAL A 15 12.028 -23.523 -3.951 1.00 74.54 C ATOM 0 H VAL A 15 13.367 -22.348 -6.108 1.00 3.40 H new ATOM 0 HA VAL A 15 13.667 -25.093 -5.433 1.00 14.34 H new ATOM 0 HB VAL A 15 11.213 -23.353 -5.913 1.00 3.24 H new ATOM 0 HG11 VAL A 15 9.951 -25.096 -4.721 1.00 21.24 H new ATOM 0 HG12 VAL A 15 10.655 -25.709 -6.237 1.00 21.24 H new ATOM 0 HG13 VAL A 15 11.409 -26.116 -4.677 1.00 21.24 H new ATOM 0 HG21 VAL A 15 11.084 -23.301 -3.454 1.00 74.54 H new ATOM 0 HG22 VAL A 15 12.588 -24.247 -3.359 1.00 74.54 H new ATOM 0 HG23 VAL A 15 12.610 -22.607 -4.050 1.00 74.54 H new ATOM 240 N PHE A 16 12.771 -24.335 -8.458 1.00 40.04 N ATOM 241 CA PHE A 16 12.488 -24.869 -9.786 1.00 2.14 C ATOM 242 C PHE A 16 13.652 -25.716 -10.290 1.00 64.35 C ATOM 243 O PHE A 16 13.524 -26.929 -10.459 1.00 61.03 O ATOM 244 CB PHE A 16 12.208 -23.730 -10.768 1.00 3.41 C ATOM 245 CG PHE A 16 10.746 -23.428 -10.936 1.00 24.51 C ATOM 246 CD1 PHE A 16 9.915 -23.325 -9.832 1.00 65.01 C ATOM 247 CD2 PHE A 16 10.203 -23.249 -12.198 1.00 21.51 C ATOM 248 CE1 PHE A 16 8.570 -23.048 -9.983 1.00 52.32 C ATOM 249 CE2 PHE A 16 8.858 -22.972 -12.355 1.00 44.52 C ATOM 250 CZ PHE A 16 8.041 -22.872 -11.247 1.00 15.24 C ATOM 0 H PHE A 16 12.972 -23.335 -8.440 1.00 40.04 H new ATOM 0 HA PHE A 16 11.604 -25.503 -9.715 1.00 2.14 H new ATOM 0 HB2 PHE A 16 12.719 -22.831 -10.424 1.00 3.41 H new ATOM 0 HB3 PHE A 16 12.632 -23.986 -11.739 1.00 3.41 H new ATOM 0 HD1 PHE A 16 10.324 -23.463 -8.842 1.00 65.01 H new ATOM 0 HD2 PHE A 16 10.838 -23.327 -13.068 1.00 21.51 H new ATOM 0 HE1 PHE A 16 7.933 -22.969 -9.114 1.00 52.32 H new ATOM 0 HE2 PHE A 16 8.447 -22.834 -13.344 1.00 44.52 H new ATOM 0 HZ PHE A 16 6.990 -22.656 -11.368 1.00 15.24 H new ATOM 260 N ASP A 17 14.787 -25.069 -10.530 1.00 42.40 N ATOM 261 CA ASP A 17 15.975 -25.761 -11.015 1.00 62.42 C ATOM 262 C ASP A 17 16.463 -26.784 -9.994 1.00 4.45 C ATOM 263 O ASP A 17 16.731 -26.446 -8.840 1.00 73.01 O ATOM 264 CB ASP A 17 17.087 -24.757 -11.322 1.00 65.42 C ATOM 265 CG ASP A 17 18.015 -25.239 -12.421 1.00 12.33 C ATOM 266 OD1 ASP A 17 17.574 -26.060 -13.252 1.00 41.35 O ATOM 267 OD2 ASP A 17 19.181 -24.794 -12.449 1.00 41.22 O ATOM 0 H ASP A 17 14.909 -24.065 -10.396 1.00 42.40 H new ATOM 0 HA ASP A 17 15.709 -26.288 -11.932 1.00 62.42 H new ATOM 0 HB2 ASP A 17 16.643 -23.806 -11.616 1.00 65.42 H new ATOM 0 HB3 ASP A 17 17.666 -24.572 -10.417 1.00 65.42 H new ATOM 272 N LYS A 18 16.577 -28.035 -10.424 1.00 74.43 N ATOM 273 CA LYS A 18 17.033 -29.108 -9.548 1.00 74.35 C ATOM 274 C LYS A 18 18.538 -29.315 -9.680 1.00 21.12 C ATOM 275 O LYS A 18 19.018 -30.448 -9.713 1.00 71.45 O ATOM 276 CB LYS A 18 16.298 -30.410 -9.877 1.00 13.20 C ATOM 277 CG LYS A 18 14.796 -30.330 -9.665 1.00 32.40 C ATOM 278 CD LYS A 18 14.210 -31.687 -9.313 1.00 72.50 C ATOM 279 CE LYS A 18 12.751 -31.574 -8.897 1.00 41.12 C ATOM 280 NZ LYS A 18 12.581 -31.722 -7.425 1.00 72.33 N ATOM 0 H LYS A 18 16.360 -28.332 -11.375 1.00 74.43 H new ATOM 0 HA LYS A 18 16.812 -28.823 -8.520 1.00 74.35 H new ATOM 0 HB2 LYS A 18 16.496 -30.677 -10.915 1.00 13.20 H new ATOM 0 HB3 LYS A 18 16.702 -31.212 -9.259 1.00 13.20 H new ATOM 0 HG2 LYS A 18 14.577 -29.620 -8.867 1.00 32.40 H new ATOM 0 HG3 LYS A 18 14.320 -29.950 -10.569 1.00 32.40 H new ATOM 0 HD2 LYS A 18 14.294 -32.354 -10.171 1.00 72.50 H new ATOM 0 HD3 LYS A 18 14.787 -32.134 -8.503 1.00 72.50 H new ATOM 0 HE2 LYS A 18 12.357 -30.608 -9.213 1.00 41.12 H new ATOM 0 HE3 LYS A 18 12.167 -32.339 -9.409 1.00 41.12 H new ATOM 0 HZ1 LYS A 18 11.573 -31.639 -7.182 1.00 72.33 H new ATOM 0 HZ2 LYS A 18 12.933 -32.654 -7.127 1.00 72.33 H new ATOM 0 HZ3 LYS A 18 13.117 -30.977 -6.937 1.00 72.33 H new ATOM 327 N GLY A 22 21.136 -22.567 -10.072 1.00 11.41 N ATOM 328 CA GLY A 22 21.741 -22.544 -11.391 1.00 12.41 C ATOM 329 C GLY A 22 20.939 -21.724 -12.382 1.00 74.33 C ATOM 330 O GLY A 22 20.209 -20.811 -11.997 1.00 11.43 O ATOM 0 HA2 GLY A 22 22.749 -22.136 -11.318 1.00 12.41 H new ATOM 0 HA3 GLY A 22 21.836 -23.565 -11.762 1.00 12.41 H new ATOM 334 N TYR A 23 21.074 -22.050 -13.663 1.00 4.10 N ATOM 335 CA TYR A 23 20.359 -21.335 -14.713 1.00 44.33 C ATOM 336 C TYR A 23 19.163 -22.143 -15.206 1.00 22.30 C ATOM 337 O TYR A 23 19.172 -23.374 -15.164 1.00 42.10 O ATOM 338 CB TYR A 23 21.298 -21.029 -15.881 1.00 65.14 C ATOM 339 CG TYR A 23 22.641 -20.482 -15.452 1.00 21.11 C ATOM 340 CD1 TYR A 23 22.728 -19.394 -14.593 1.00 15.41 C ATOM 341 CD2 TYR A 23 23.823 -21.055 -15.905 1.00 4.14 C ATOM 342 CE1 TYR A 23 23.952 -18.890 -14.199 1.00 20.34 C ATOM 343 CE2 TYR A 23 25.052 -20.559 -15.514 1.00 64.14 C ATOM 344 CZ TYR A 23 25.112 -19.477 -14.662 1.00 15.52 C ATOM 345 OH TYR A 23 26.333 -18.979 -14.270 1.00 43.02 O ATOM 0 H TYR A 23 21.672 -22.805 -13.999 1.00 4.10 H new ATOM 0 HA TYR A 23 19.993 -20.398 -14.294 1.00 44.33 H new ATOM 0 HB2 TYR A 23 21.454 -21.940 -16.459 1.00 65.14 H new ATOM 0 HB3 TYR A 23 20.817 -20.310 -16.544 1.00 65.14 H new ATOM 0 HD1 TYR A 23 21.822 -18.934 -14.227 1.00 15.41 H new ATOM 0 HD2 TYR A 23 23.780 -21.902 -16.574 1.00 4.14 H new ATOM 0 HE1 TYR A 23 24.001 -18.042 -13.533 1.00 20.34 H new ATOM 0 HE2 TYR A 23 25.961 -21.017 -15.874 1.00 64.14 H new ATOM 0 HH TYR A 23 27.049 -19.505 -14.684 1.00 43.02 H new ATOM 355 N ILE A 24 18.136 -21.442 -15.673 1.00 34.31 N ATOM 356 CA ILE A 24 16.932 -22.094 -16.176 1.00 4.15 C ATOM 357 C ILE A 24 16.854 -22.005 -17.696 1.00 34.42 C ATOM 358 O ILE A 24 17.621 -21.278 -18.326 1.00 53.22 O ATOM 359 CB ILE A 24 15.660 -21.472 -15.570 1.00 4.23 C ATOM 360 CG1 ILE A 24 15.678 -19.951 -15.741 1.00 64.53 C ATOM 361 CG2 ILE A 24 15.538 -21.843 -14.099 1.00 40.23 C ATOM 362 CD1 ILE A 24 14.439 -19.405 -16.415 1.00 1.22 C ATOM 0 H ILE A 24 18.113 -20.423 -15.714 1.00 34.31 H new ATOM 0 HA ILE A 24 16.991 -23.141 -15.878 1.00 4.15 H new ATOM 0 HB ILE A 24 14.793 -21.868 -16.098 1.00 4.23 H new ATOM 0 HG12 ILE A 24 15.785 -19.484 -14.762 1.00 64.53 H new ATOM 0 HG13 ILE A 24 16.554 -19.669 -16.325 1.00 64.53 H new ATOM 0 HG21 ILE A 24 14.634 -21.396 -13.685 1.00 40.23 H new ATOM 0 HG22 ILE A 24 15.485 -22.927 -14.000 1.00 40.23 H new ATOM 0 HG23 ILE A 24 16.408 -21.472 -13.557 1.00 40.23 H new ATOM 0 HD11 ILE A 24 14.520 -18.322 -16.503 1.00 1.22 H new ATOM 0 HD12 ILE A 24 14.342 -19.844 -17.408 1.00 1.22 H new ATOM 0 HD13 ILE A 24 13.561 -19.656 -15.820 1.00 1.22 H new ATOM 374 N SER A 25 15.919 -22.750 -18.279 1.00 4.12 N ATOM 375 CA SER A 25 15.741 -22.757 -19.726 1.00 31.40 C ATOM 376 C SER A 25 14.592 -21.841 -20.136 1.00 61.24 C ATOM 377 O SER A 25 13.863 -21.324 -19.290 1.00 63.32 O ATOM 378 CB SER A 25 15.475 -24.180 -20.221 1.00 21.41 C ATOM 379 OG SER A 25 15.754 -25.133 -19.209 1.00 55.31 O ATOM 0 H SER A 25 15.274 -23.356 -17.771 1.00 4.12 H new ATOM 0 HA SER A 25 16.659 -22.387 -20.182 1.00 31.40 H new ATOM 0 HB2 SER A 25 14.435 -24.271 -20.534 1.00 21.41 H new ATOM 0 HB3 SER A 25 16.090 -24.385 -21.097 1.00 21.41 H new ATOM 0 HG SER A 25 15.574 -26.034 -19.550 1.00 55.31 H new ATOM 385 N ALA A 26 14.437 -21.645 -21.442 1.00 24.13 N ATOM 386 CA ALA A 26 13.377 -20.793 -21.966 1.00 31.42 C ATOM 387 C ALA A 26 12.036 -21.126 -21.320 1.00 61.12 C ATOM 388 O ALA A 26 11.314 -20.236 -20.872 1.00 41.25 O ATOM 389 CB ALA A 26 13.286 -20.934 -23.478 1.00 41.11 C ATOM 0 H ALA A 26 15.032 -22.065 -22.156 1.00 24.13 H new ATOM 0 HA ALA A 26 13.621 -19.759 -21.723 1.00 31.42 H new ATOM 0 HB1 ALA A 26 12.490 -20.292 -23.856 1.00 41.11 H new ATOM 0 HB2 ALA A 26 14.234 -20.640 -23.929 1.00 41.11 H new ATOM 0 HB3 ALA A 26 13.068 -21.971 -23.734 1.00 41.11 H new ATOM 395 N ALA A 27 11.709 -22.414 -21.277 1.00 11.55 N ATOM 396 CA ALA A 27 10.455 -22.863 -20.685 1.00 22.45 C ATOM 397 C ALA A 27 10.236 -22.230 -19.315 1.00 25.13 C ATOM 398 O ALA A 27 9.263 -21.507 -19.103 1.00 32.12 O ATOM 399 CB ALA A 27 10.438 -24.381 -20.575 1.00 54.14 C ATOM 0 H ALA A 27 12.295 -23.164 -21.645 1.00 11.55 H new ATOM 0 HA ALA A 27 9.641 -22.546 -21.337 1.00 22.45 H new ATOM 0 HB1 ALA A 27 9.496 -24.703 -20.131 1.00 54.14 H new ATOM 0 HB2 ALA A 27 10.540 -24.819 -21.568 1.00 54.14 H new ATOM 0 HB3 ALA A 27 11.266 -24.710 -19.947 1.00 54.14 H new ATOM 405 N ASP A 28 11.147 -22.507 -18.388 1.00 43.31 N ATOM 406 CA ASP A 28 11.054 -21.963 -17.038 1.00 70.40 C ATOM 407 C ASP A 28 10.959 -20.441 -17.070 1.00 61.21 C ATOM 408 O ASP A 28 10.331 -19.829 -16.205 1.00 23.21 O ATOM 409 CB ASP A 28 12.264 -22.394 -16.207 1.00 51.03 C ATOM 410 CG ASP A 28 11.997 -23.651 -15.404 1.00 35.44 C ATOM 411 OD1 ASP A 28 11.109 -24.433 -15.804 1.00 31.13 O ATOM 412 OD2 ASP A 28 12.674 -23.853 -14.374 1.00 63.31 O ATOM 0 H ASP A 28 11.958 -23.105 -18.547 1.00 43.31 H new ATOM 0 HA ASP A 28 10.148 -22.355 -16.577 1.00 70.40 H new ATOM 0 HB2 ASP A 28 13.114 -22.563 -16.868 1.00 51.03 H new ATOM 0 HB3 ASP A 28 12.542 -21.586 -15.530 1.00 51.03 H new ATOM 417 N LEU A 29 11.587 -19.836 -18.072 1.00 52.40 N ATOM 418 CA LEU A 29 11.574 -18.384 -18.217 1.00 3.02 C ATOM 419 C LEU A 29 10.178 -17.884 -18.573 1.00 32.24 C ATOM 420 O LEU A 29 9.605 -17.056 -17.865 1.00 3.54 O ATOM 421 CB LEU A 29 12.573 -17.950 -19.292 1.00 33.35 C ATOM 422 CG LEU A 29 12.966 -16.473 -19.286 1.00 15.43 C ATOM 423 CD1 LEU A 29 13.750 -16.134 -18.028 1.00 3.22 C ATOM 424 CD2 LEU A 29 13.774 -16.131 -20.529 1.00 14.40 C ATOM 0 H LEU A 29 12.111 -20.328 -18.796 1.00 52.40 H new ATOM 0 HA LEU A 29 11.864 -17.946 -17.262 1.00 3.02 H new ATOM 0 HB2 LEU A 29 13.478 -18.547 -19.180 1.00 33.35 H new ATOM 0 HB3 LEU A 29 12.152 -18.189 -20.269 1.00 33.35 H new ATOM 0 HG LEU A 29 12.055 -15.875 -19.293 1.00 15.43 H new ATOM 0 HD11 LEU A 29 14.021 -15.078 -18.042 1.00 3.22 H new ATOM 0 HD12 LEU A 29 13.137 -16.340 -17.151 1.00 3.22 H new ATOM 0 HD13 LEU A 29 14.655 -16.740 -17.989 1.00 3.22 H new ATOM 0 HD21 LEU A 29 14.045 -15.075 -20.508 1.00 14.40 H new ATOM 0 HD22 LEU A 29 14.679 -16.738 -20.553 1.00 14.40 H new ATOM 0 HD23 LEU A 29 13.177 -16.335 -21.418 1.00 14.40 H new ATOM 436 N ARG A 30 9.634 -18.395 -19.673 1.00 25.25 N ATOM 437 CA ARG A 30 8.304 -18.001 -20.122 1.00 25.55 C ATOM 438 C ARG A 30 7.268 -18.245 -19.029 1.00 35.20 C ATOM 439 O ARG A 30 6.281 -17.516 -18.921 1.00 2.24 O ATOM 440 CB ARG A 30 7.920 -18.773 -21.385 1.00 64.24 C ATOM 441 CG ARG A 30 7.220 -17.920 -22.431 1.00 25.23 C ATOM 442 CD ARG A 30 6.145 -18.707 -23.163 1.00 31.32 C ATOM 443 NE ARG A 30 6.573 -19.105 -24.501 1.00 50.02 N ATOM 444 CZ ARG A 30 5.930 -20.000 -25.243 1.00 24.54 C ATOM 445 NH1 ARG A 30 4.836 -20.588 -24.778 1.00 41.14 N ATOM 446 NH2 ARG A 30 6.382 -20.310 -26.451 1.00 51.34 N ATOM 0 H ARG A 30 10.094 -19.083 -20.270 1.00 25.25 H new ATOM 0 HA ARG A 30 8.324 -16.935 -20.348 1.00 25.55 H new ATOM 0 HB2 ARG A 30 8.819 -19.206 -21.824 1.00 64.24 H new ATOM 0 HB3 ARG A 30 7.269 -19.603 -21.110 1.00 64.24 H new ATOM 0 HG2 ARG A 30 6.772 -17.049 -21.952 1.00 25.23 H new ATOM 0 HG3 ARG A 30 7.952 -17.548 -23.148 1.00 25.23 H new ATOM 0 HD2 ARG A 30 5.889 -19.595 -22.585 1.00 31.32 H new ATOM 0 HD3 ARG A 30 5.241 -18.103 -23.236 1.00 31.32 H new ATOM 0 HE ARG A 30 7.412 -18.672 -24.887 1.00 50.02 H new ATOM 0 HH11 ARG A 30 4.487 -20.353 -23.849 1.00 41.14 H new ATOM 0 HH12 ARG A 30 4.344 -21.275 -25.350 1.00 41.14 H new ATOM 0 HH21 ARG A 30 7.224 -19.861 -26.811 1.00 51.34 H new ATOM 0 HH22 ARG A 30 5.887 -20.997 -27.020 1.00 51.34 H new ATOM 460 N HIS A 31 7.497 -19.276 -18.222 1.00 2.15 N ATOM 461 CA HIS A 31 6.583 -19.616 -17.137 1.00 50.00 C ATOM 462 C HIS A 31 6.624 -18.557 -16.040 1.00 11.23 C ATOM 463 O HIS A 31 5.636 -17.865 -15.793 1.00 33.31 O ATOM 464 CB HIS A 31 6.936 -20.985 -16.554 1.00 42.33 C ATOM 465 CG HIS A 31 6.174 -22.115 -17.175 1.00 45.24 C ATOM 466 ND1 HIS A 31 4.838 -22.347 -16.928 1.00 20.51 N ATOM 467 CD2 HIS A 31 6.569 -23.079 -18.040 1.00 12.21 C ATOM 468 CE1 HIS A 31 4.444 -23.407 -17.612 1.00 12.32 C ATOM 469 NE2 HIS A 31 5.475 -23.869 -18.295 1.00 42.03 N ATOM 0 H HIS A 31 8.307 -19.891 -18.299 1.00 2.15 H new ATOM 0 HA HIS A 31 5.573 -19.653 -17.545 1.00 50.00 H new ATOM 0 HB2 HIS A 31 8.003 -21.162 -16.685 1.00 42.33 H new ATOM 0 HB3 HIS A 31 6.744 -20.974 -15.481 1.00 42.33 H new ATOM 0 HD2 HIS A 31 7.559 -23.203 -18.452 1.00 12.21 H new ATOM 0 HE1 HIS A 31 3.448 -23.824 -17.612 1.00 12.32 H new ATOM 0 HE2 HIS A 31 5.461 -24.681 -18.912 1.00 42.03 H new ATOM 477 N VAL A 32 7.773 -18.436 -15.383 1.00 44.42 N ATOM 478 CA VAL A 32 7.943 -17.461 -14.312 1.00 43.24 C ATOM 479 C VAL A 32 7.552 -16.062 -14.775 1.00 72.05 C ATOM 480 O VAL A 32 6.909 -15.312 -14.042 1.00 5.54 O ATOM 481 CB VAL A 32 9.397 -17.433 -13.804 1.00 31.21 C ATOM 482 CG1 VAL A 32 9.526 -16.505 -12.606 1.00 21.23 C ATOM 483 CG2 VAL A 32 9.865 -18.838 -13.454 1.00 1.42 C ATOM 0 H VAL A 32 8.600 -19.001 -15.574 1.00 44.42 H new ATOM 0 HA VAL A 32 7.287 -17.768 -13.498 1.00 43.24 H new ATOM 0 HB VAL A 32 10.035 -17.050 -14.600 1.00 31.21 H new ATOM 0 HG11 VAL A 32 10.560 -16.498 -12.261 1.00 21.23 H new ATOM 0 HG12 VAL A 32 9.233 -15.496 -12.894 1.00 21.23 H new ATOM 0 HG13 VAL A 32 8.878 -16.855 -11.803 1.00 21.23 H new ATOM 0 HG21 VAL A 32 10.894 -18.800 -13.097 1.00 1.42 H new ATOM 0 HG22 VAL A 32 9.225 -19.251 -12.674 1.00 1.42 H new ATOM 0 HG23 VAL A 32 9.811 -19.471 -14.340 1.00 1.42 H new ATOM 493 N MET A 33 7.943 -15.718 -15.998 1.00 61.42 N ATOM 494 CA MET A 33 7.631 -14.409 -16.560 1.00 62.43 C ATOM 495 C MET A 33 6.128 -14.248 -16.760 1.00 54.22 C ATOM 496 O MET A 33 5.513 -13.331 -16.214 1.00 33.44 O ATOM 497 CB MET A 33 8.358 -14.216 -17.892 1.00 63.35 C ATOM 498 CG MET A 33 9.774 -13.684 -17.741 1.00 11.34 C ATOM 499 SD MET A 33 10.315 -12.730 -19.172 1.00 73.53 S ATOM 500 CE MET A 33 10.335 -14.000 -20.436 1.00 54.41 C ATOM 0 H MET A 33 8.476 -16.327 -16.618 1.00 61.42 H new ATOM 0 HA MET A 33 7.970 -13.649 -15.856 1.00 62.43 H new ATOM 0 HB2 MET A 33 8.391 -15.169 -18.420 1.00 63.35 H new ATOM 0 HB3 MET A 33 7.785 -13.528 -18.513 1.00 63.35 H new ATOM 0 HG2 MET A 33 9.830 -13.058 -16.850 1.00 11.34 H new ATOM 0 HG3 MET A 33 10.457 -14.519 -17.587 1.00 11.34 H new ATOM 0 HE1 MET A 33 11.339 -14.083 -20.853 1.00 54.41 H new ATOM 0 HE2 MET A 33 10.044 -14.955 -19.997 1.00 54.41 H new ATOM 0 HE3 MET A 33 9.634 -13.736 -21.228 1.00 54.41 H new ATOM 510 N THR A 34 5.540 -15.144 -17.547 1.00 50.44 N ATOM 511 CA THR A 34 4.109 -15.099 -17.821 1.00 21.25 C ATOM 512 C THR A 34 3.300 -15.186 -16.531 1.00 43.32 C ATOM 513 O THR A 34 2.142 -14.775 -16.486 1.00 35.22 O ATOM 514 CB THR A 34 3.681 -16.243 -18.759 1.00 54.35 C ATOM 515 OG1 THR A 34 4.370 -16.134 -20.010 1.00 12.00 O ATOM 516 CG2 THR A 34 2.179 -16.213 -18.998 1.00 54.22 C ATOM 0 H THR A 34 6.033 -15.910 -18.006 1.00 50.44 H new ATOM 0 HA THR A 34 3.910 -14.145 -18.309 1.00 21.25 H new ATOM 0 HB THR A 34 3.939 -17.189 -18.283 1.00 54.35 H new ATOM 0 HG1 THR A 34 5.105 -16.782 -20.036 1.00 12.00 H new ATOM 0 HG21 THR A 34 1.900 -17.030 -19.663 1.00 54.22 H new ATOM 0 HG22 THR A 34 1.657 -16.325 -18.048 1.00 54.22 H new ATOM 0 HG23 THR A 34 1.902 -15.263 -19.455 1.00 54.22 H new ATOM 524 N ASN A 35 3.920 -15.722 -15.485 1.00 14.25 N ATOM 525 CA ASN A 35 3.256 -15.862 -14.193 1.00 43.32 C ATOM 526 C ASN A 35 3.349 -14.567 -13.391 1.00 24.42 C ATOM 527 O ASN A 35 2.334 -13.949 -13.069 1.00 32.35 O ATOM 528 CB ASN A 35 3.877 -17.013 -13.399 1.00 43.15 C ATOM 529 CG ASN A 35 3.168 -18.331 -13.642 1.00 32.13 C ATOM 530 OD1 ASN A 35 2.355 -18.751 -12.679 1.00 74.01 O flip ATOM 531 ND2 ASN A 35 3.349 -18.964 -14.682 1.00 52.23 N flip ATOM 0 H ASN A 35 4.880 -16.066 -15.506 1.00 14.25 H new ATOM 0 HA ASN A 35 2.204 -16.081 -14.375 1.00 43.32 H new ATOM 0 HB2 ASN A 35 4.928 -17.113 -13.671 1.00 43.15 H new ATOM 0 HB3 ASN A 35 3.844 -16.777 -12.335 1.00 43.15 H new ATOM 0 HD21 ASN A 35 3.983 -18.603 -15.395 1.00 52.23 H new ATOM 0 HD22 ASN A 35 2.865 -19.849 -14.831 1.00 52.23 H new ATOM 538 N LEU A 36 4.574 -14.163 -13.072 1.00 13.43 N ATOM 539 CA LEU A 36 4.801 -12.941 -12.307 1.00 73.03 C ATOM 540 C LEU A 36 4.340 -11.715 -13.090 1.00 34.54 C ATOM 541 O LEU A 36 4.821 -11.452 -14.191 1.00 10.03 O ATOM 542 CB LEU A 36 6.282 -12.806 -11.952 1.00 45.14 C ATOM 543 CG LEU A 36 6.684 -13.279 -10.555 1.00 71.40 C ATOM 544 CD1 LEU A 36 7.678 -14.426 -10.645 1.00 64.43 C ATOM 545 CD2 LEU A 36 7.267 -12.128 -9.749 1.00 14.04 C ATOM 0 H LEU A 36 5.425 -14.663 -13.331 1.00 13.43 H new ATOM 0 HA LEU A 36 4.218 -13.003 -11.388 1.00 73.03 H new ATOM 0 HB2 LEU A 36 6.863 -13.366 -12.684 1.00 45.14 H new ATOM 0 HB3 LEU A 36 6.565 -11.758 -12.054 1.00 45.14 H new ATOM 0 HG LEU A 36 5.791 -13.639 -10.044 1.00 71.40 H new ATOM 0 HD11 LEU A 36 7.952 -14.749 -9.641 1.00 64.43 H new ATOM 0 HD12 LEU A 36 7.225 -15.259 -11.183 1.00 64.43 H new ATOM 0 HD13 LEU A 36 8.570 -14.094 -11.176 1.00 64.43 H new ATOM 0 HD21 LEU A 36 7.547 -12.483 -8.757 1.00 14.04 H new ATOM 0 HD22 LEU A 36 8.149 -11.738 -10.257 1.00 14.04 H new ATOM 0 HD23 LEU A 36 6.523 -11.337 -9.654 1.00 14.04 H new ATOM 557 N GLY A 37 3.404 -10.968 -12.511 1.00 44.34 N ATOM 558 CA GLY A 37 2.896 -9.778 -13.168 1.00 15.43 C ATOM 559 C GLY A 37 1.417 -9.878 -13.486 1.00 70.52 C ATOM 560 O GLY A 37 0.628 -10.333 -12.659 1.00 74.42 O ATOM 0 H GLY A 37 2.989 -11.166 -11.600 1.00 44.34 H new ATOM 0 HA2 GLY A 37 3.069 -8.912 -12.529 1.00 15.43 H new ATOM 0 HA3 GLY A 37 3.452 -9.610 -14.090 1.00 15.43 H new ATOM 564 N GLU A 38 1.041 -9.451 -14.688 1.00 25.42 N ATOM 565 CA GLU A 38 -0.353 -9.494 -15.111 1.00 52.15 C ATOM 566 C GLU A 38 -0.524 -10.396 -16.330 1.00 73.31 C ATOM 567 O GLU A 38 0.397 -11.115 -16.720 1.00 14.25 O ATOM 568 CB GLU A 38 -0.855 -8.084 -15.432 1.00 70.53 C ATOM 569 CG GLU A 38 -2.226 -7.780 -14.852 1.00 51.15 C ATOM 570 CD GLU A 38 -2.150 -7.131 -13.484 1.00 62.30 C ATOM 571 OE1 GLU A 38 -1.378 -6.161 -13.330 1.00 75.03 O ATOM 572 OE2 GLU A 38 -2.860 -7.593 -12.567 1.00 75.43 O ATOM 0 H GLU A 38 1.682 -9.072 -15.385 1.00 25.42 H new ATOM 0 HA GLU A 38 -0.943 -9.904 -14.291 1.00 52.15 H new ATOM 0 HB2 GLU A 38 -0.139 -7.357 -15.050 1.00 70.53 H new ATOM 0 HB3 GLU A 38 -0.891 -7.958 -16.514 1.00 70.53 H new ATOM 0 HG2 GLU A 38 -2.766 -7.122 -15.533 1.00 51.15 H new ATOM 0 HG3 GLU A 38 -2.799 -8.704 -14.780 1.00 51.15 H new ATOM 579 N LYS A 39 -1.710 -10.354 -16.928 1.00 71.21 N ATOM 580 CA LYS A 39 -2.004 -11.166 -18.103 1.00 33.21 C ATOM 581 C LYS A 39 -1.446 -10.518 -19.366 1.00 32.21 C ATOM 582 O LYS A 39 -2.034 -9.581 -19.907 1.00 13.32 O ATOM 583 CB LYS A 39 -3.515 -11.367 -18.244 1.00 41.44 C ATOM 584 CG LYS A 39 -3.893 -12.489 -19.195 1.00 51.14 C ATOM 585 CD LYS A 39 -5.282 -13.028 -18.897 1.00 70.22 C ATOM 586 CE LYS A 39 -5.537 -14.341 -19.621 1.00 74.31 C ATOM 587 NZ LYS A 39 -6.087 -15.381 -18.707 1.00 41.23 N ATOM 0 H LYS A 39 -2.484 -9.766 -16.618 1.00 71.21 H new ATOM 0 HA LYS A 39 -1.525 -12.136 -17.972 1.00 33.21 H new ATOM 0 HB2 LYS A 39 -3.938 -11.576 -17.262 1.00 41.44 H new ATOM 0 HB3 LYS A 39 -3.966 -10.438 -18.594 1.00 41.44 H new ATOM 0 HG2 LYS A 39 -3.855 -12.125 -20.222 1.00 51.14 H new ATOM 0 HG3 LYS A 39 -3.164 -13.295 -19.116 1.00 51.14 H new ATOM 0 HD2 LYS A 39 -5.393 -13.176 -17.823 1.00 70.22 H new ATOM 0 HD3 LYS A 39 -6.030 -12.294 -19.197 1.00 70.22 H new ATOM 0 HE2 LYS A 39 -6.234 -14.174 -20.442 1.00 74.31 H new ATOM 0 HE3 LYS A 39 -4.607 -14.700 -20.061 1.00 74.31 H new ATOM 0 HZ1 LYS A 39 -6.247 -16.261 -19.238 1.00 41.23 H new ATOM 0 HZ2 LYS A 39 -5.411 -15.560 -17.937 1.00 41.23 H new ATOM 0 HZ3 LYS A 39 -6.988 -15.050 -18.306 1.00 41.23 H new ATOM 601 N LEU A 40 -0.310 -11.024 -19.832 1.00 43.20 N ATOM 602 CA LEU A 40 0.327 -10.495 -21.033 1.00 62.02 C ATOM 603 C LEU A 40 0.040 -11.385 -22.238 1.00 43.14 C ATOM 604 O LEU A 40 -0.591 -12.435 -22.113 1.00 51.20 O ATOM 605 CB LEU A 40 1.837 -10.374 -20.822 1.00 44.14 C ATOM 606 CG LEU A 40 2.306 -9.175 -19.997 1.00 51.34 C ATOM 607 CD1 LEU A 40 3.525 -9.542 -19.166 1.00 63.13 C ATOM 608 CD2 LEU A 40 2.613 -7.991 -20.903 1.00 74.14 C ATOM 0 H LEU A 40 0.189 -11.800 -19.397 1.00 43.20 H new ATOM 0 HA LEU A 40 -0.087 -9.506 -21.228 1.00 62.02 H new ATOM 0 HB2 LEU A 40 2.190 -11.284 -20.336 1.00 44.14 H new ATOM 0 HB3 LEU A 40 2.318 -10.327 -21.799 1.00 44.14 H new ATOM 0 HG LEU A 40 1.502 -8.889 -19.319 1.00 51.34 H new ATOM 0 HD11 LEU A 40 3.844 -8.676 -18.586 1.00 63.13 H new ATOM 0 HD12 LEU A 40 3.272 -10.359 -18.490 1.00 63.13 H new ATOM 0 HD13 LEU A 40 4.334 -9.855 -19.826 1.00 63.13 H new ATOM 0 HD21 LEU A 40 2.945 -7.147 -20.299 1.00 74.14 H new ATOM 0 HD22 LEU A 40 3.399 -8.265 -21.606 1.00 74.14 H new ATOM 0 HD23 LEU A 40 1.715 -7.712 -21.454 1.00 74.14 H new ATOM 620 N THR A 41 0.510 -10.959 -23.407 1.00 62.51 N ATOM 621 CA THR A 41 0.305 -11.718 -24.635 1.00 4.52 C ATOM 622 C THR A 41 1.553 -12.512 -25.005 1.00 54.10 C ATOM 623 O THR A 41 2.674 -12.094 -24.717 1.00 64.05 O ATOM 624 CB THR A 41 -0.069 -10.794 -25.810 1.00 3.05 C ATOM 625 OG1 THR A 41 1.027 -9.924 -26.117 1.00 34.40 O ATOM 626 CG2 THR A 41 -1.301 -9.967 -25.476 1.00 73.04 C ATOM 0 H THR A 41 1.035 -10.093 -23.529 1.00 62.51 H new ATOM 0 HA THR A 41 -0.518 -12.407 -24.448 1.00 4.52 H new ATOM 0 HB THR A 41 -0.292 -11.416 -26.677 1.00 3.05 H new ATOM 0 HG1 THR A 41 0.782 -9.341 -26.866 1.00 34.40 H new ATOM 0 HG21 THR A 41 -1.546 -9.322 -26.320 1.00 73.04 H new ATOM 0 HG22 THR A 41 -2.140 -10.631 -25.271 1.00 73.04 H new ATOM 0 HG23 THR A 41 -1.100 -9.354 -24.597 1.00 73.04 H new ATOM 634 N ASP A 42 1.350 -13.658 -25.645 1.00 32.43 N ATOM 635 CA ASP A 42 2.459 -14.511 -26.056 1.00 40.02 C ATOM 636 C ASP A 42 3.423 -13.750 -26.961 1.00 52.31 C ATOM 637 O ASP A 42 4.610 -14.066 -27.024 1.00 3.14 O ATOM 638 CB ASP A 42 1.935 -15.753 -26.779 1.00 12.13 C ATOM 639 CG ASP A 42 1.815 -16.951 -25.858 1.00 25.32 C ATOM 640 OD1 ASP A 42 2.819 -17.296 -25.199 1.00 10.23 O ATOM 641 OD2 ASP A 42 0.718 -17.544 -25.795 1.00 64.14 O ATOM 0 H ASP A 42 0.428 -14.018 -25.891 1.00 32.43 H new ATOM 0 HA ASP A 42 2.997 -14.822 -25.160 1.00 40.02 H new ATOM 0 HB2 ASP A 42 0.960 -15.533 -27.213 1.00 12.13 H new ATOM 0 HB3 ASP A 42 2.603 -15.998 -27.604 1.00 12.13 H new ATOM 646 N GLU A 43 2.902 -12.746 -27.661 1.00 23.42 N ATOM 647 CA GLU A 43 3.717 -11.942 -28.564 1.00 2.14 C ATOM 648 C GLU A 43 4.678 -11.051 -27.781 1.00 60.13 C ATOM 649 O GLU A 43 5.847 -10.917 -28.140 1.00 63.15 O ATOM 650 CB GLU A 43 2.825 -11.083 -29.463 1.00 25.03 C ATOM 651 CG GLU A 43 3.379 -10.891 -30.864 1.00 44.14 C ATOM 652 CD GLU A 43 2.438 -10.112 -31.762 1.00 52.02 C ATOM 653 OE1 GLU A 43 1.925 -9.064 -31.316 1.00 43.12 O ATOM 654 OE2 GLU A 43 2.213 -10.550 -32.910 1.00 1.04 O ATOM 0 H GLU A 43 1.921 -12.471 -27.620 1.00 23.42 H new ATOM 0 HA GLU A 43 4.302 -12.620 -29.186 1.00 2.14 H new ATOM 0 HB2 GLU A 43 1.840 -11.545 -29.531 1.00 25.03 H new ATOM 0 HB3 GLU A 43 2.688 -10.107 -28.998 1.00 25.03 H new ATOM 0 HG2 GLU A 43 4.334 -10.369 -30.805 1.00 44.14 H new ATOM 0 HG3 GLU A 43 3.576 -11.866 -31.309 1.00 44.14 H new ATOM 661 N GLU A 44 4.175 -10.444 -26.711 1.00 33.41 N ATOM 662 CA GLU A 44 4.988 -9.565 -25.879 1.00 31.30 C ATOM 663 C GLU A 44 6.078 -10.353 -25.158 1.00 62.35 C ATOM 664 O GLU A 44 7.188 -9.859 -24.959 1.00 31.14 O ATOM 665 CB GLU A 44 4.111 -8.837 -24.858 1.00 72.04 C ATOM 666 CG GLU A 44 4.327 -7.333 -24.833 1.00 21.30 C ATOM 667 CD GLU A 44 3.369 -6.591 -25.744 1.00 42.51 C ATOM 668 OE1 GLU A 44 3.372 -6.871 -26.961 1.00 54.33 O ATOM 669 OE2 GLU A 44 2.618 -5.730 -25.241 1.00 11.42 O ATOM 0 H GLU A 44 3.209 -10.545 -26.400 1.00 33.41 H new ATOM 0 HA GLU A 44 5.464 -8.830 -26.529 1.00 31.30 H new ATOM 0 HB2 GLU A 44 3.064 -9.042 -25.080 1.00 72.04 H new ATOM 0 HB3 GLU A 44 4.311 -9.241 -23.866 1.00 72.04 H new ATOM 0 HG2 GLU A 44 4.207 -6.969 -23.812 1.00 21.30 H new ATOM 0 HG3 GLU A 44 5.352 -7.112 -25.132 1.00 21.30 H new ATOM 676 N VAL A 45 5.753 -11.582 -24.770 1.00 63.30 N ATOM 677 CA VAL A 45 6.704 -12.440 -24.072 1.00 52.12 C ATOM 678 C VAL A 45 7.867 -12.824 -24.980 1.00 10.41 C ATOM 679 O VAL A 45 9.000 -12.974 -24.524 1.00 24.44 O ATOM 680 CB VAL A 45 6.027 -13.723 -23.554 1.00 12.53 C ATOM 681 CG1 VAL A 45 7.032 -14.598 -22.820 1.00 54.30 C ATOM 682 CG2 VAL A 45 4.851 -13.377 -22.653 1.00 13.11 C ATOM 0 H VAL A 45 4.839 -12.006 -24.927 1.00 63.30 H new ATOM 0 HA VAL A 45 7.082 -11.869 -23.224 1.00 52.12 H new ATOM 0 HB VAL A 45 5.649 -14.284 -24.408 1.00 12.53 H new ATOM 0 HG11 VAL A 45 6.536 -15.500 -22.461 1.00 54.30 H new ATOM 0 HG12 VAL A 45 7.839 -14.874 -23.499 1.00 54.30 H new ATOM 0 HG13 VAL A 45 7.443 -14.048 -21.973 1.00 54.30 H new ATOM 0 HG21 VAL A 45 4.384 -14.295 -22.296 1.00 13.11 H new ATOM 0 HG22 VAL A 45 5.204 -12.794 -21.802 1.00 13.11 H new ATOM 0 HG23 VAL A 45 4.122 -12.794 -23.215 1.00 13.11 H new ATOM 692 N ASP A 46 7.579 -12.980 -26.267 1.00 51.43 N ATOM 693 CA ASP A 46 8.601 -13.344 -27.241 1.00 24.41 C ATOM 694 C ASP A 46 9.781 -12.380 -27.177 1.00 43.41 C ATOM 695 O ASP A 46 10.894 -12.768 -26.825 1.00 22.35 O ATOM 696 CB ASP A 46 8.012 -13.356 -28.652 1.00 55.30 C ATOM 697 CG ASP A 46 8.870 -14.130 -29.632 1.00 62.33 C ATOM 698 OD1 ASP A 46 9.995 -13.674 -29.926 1.00 2.31 O ATOM 699 OD2 ASP A 46 8.418 -15.194 -30.105 1.00 52.54 O ATOM 0 H ASP A 46 6.646 -12.860 -26.660 1.00 51.43 H new ATOM 0 HA ASP A 46 8.959 -14.344 -26.997 1.00 24.41 H new ATOM 0 HB2 ASP A 46 7.015 -13.794 -28.622 1.00 55.30 H new ATOM 0 HB3 ASP A 46 7.899 -12.331 -29.004 1.00 55.30 H new ATOM 704 N GLU A 47 9.529 -11.121 -27.522 1.00 1.42 N ATOM 705 CA GLU A 47 10.572 -10.101 -27.505 1.00 72.32 C ATOM 706 C GLU A 47 11.123 -9.910 -26.095 1.00 63.13 C ATOM 707 O GLU A 47 12.278 -9.523 -25.916 1.00 72.44 O ATOM 708 CB GLU A 47 10.027 -8.774 -28.036 1.00 15.32 C ATOM 709 CG GLU A 47 10.782 -8.245 -29.243 1.00 50.52 C ATOM 710 CD GLU A 47 10.050 -7.115 -29.940 1.00 55.53 C ATOM 711 OE1 GLU A 47 9.357 -6.340 -29.247 1.00 31.52 O ATOM 712 OE2 GLU A 47 10.168 -7.004 -31.178 1.00 65.24 O ATOM 0 H GLU A 47 8.613 -10.783 -27.816 1.00 1.42 H new ATOM 0 HA GLU A 47 11.383 -10.436 -28.151 1.00 72.32 H new ATOM 0 HB2 GLU A 47 8.978 -8.902 -28.302 1.00 15.32 H new ATOM 0 HB3 GLU A 47 10.065 -8.031 -27.240 1.00 15.32 H new ATOM 0 HG2 GLU A 47 11.765 -7.896 -28.927 1.00 50.52 H new ATOM 0 HG3 GLU A 47 10.945 -9.058 -29.950 1.00 50.52 H new ATOM 719 N MET A 48 10.289 -10.183 -25.098 1.00 32.43 N ATOM 720 CA MET A 48 10.693 -10.042 -23.704 1.00 34.24 C ATOM 721 C MET A 48 11.869 -10.958 -23.383 1.00 64.30 C ATOM 722 O MET A 48 12.815 -10.555 -22.706 1.00 3.32 O ATOM 723 CB MET A 48 9.518 -10.358 -22.776 1.00 10.34 C ATOM 724 CG MET A 48 9.060 -9.167 -21.949 1.00 73.20 C ATOM 725 SD MET A 48 9.216 -9.452 -20.175 1.00 54.34 S ATOM 726 CE MET A 48 10.986 -9.289 -19.961 1.00 23.13 C ATOM 0 H MET A 48 9.329 -10.503 -25.229 1.00 32.43 H new ATOM 0 HA MET A 48 11.005 -9.010 -23.545 1.00 34.24 H new ATOM 0 HB2 MET A 48 8.681 -10.719 -23.373 1.00 10.34 H new ATOM 0 HB3 MET A 48 9.803 -11.168 -22.105 1.00 10.34 H new ATOM 0 HG2 MET A 48 9.646 -8.291 -22.225 1.00 73.20 H new ATOM 0 HG3 MET A 48 8.020 -8.943 -22.187 1.00 73.20 H new ATOM 0 HE1 MET A 48 11.241 -9.439 -18.912 1.00 23.13 H new ATOM 0 HE2 MET A 48 11.496 -10.036 -20.569 1.00 23.13 H new ATOM 0 HE3 MET A 48 11.300 -8.292 -20.272 1.00 23.13 H new ATOM 736 N ILE A 49 11.804 -12.192 -23.873 1.00 51.41 N ATOM 737 CA ILE A 49 12.865 -13.163 -23.639 1.00 34.52 C ATOM 738 C ILE A 49 14.145 -12.766 -24.366 1.00 32.11 C ATOM 739 O ILE A 49 15.241 -13.177 -23.984 1.00 13.21 O ATOM 740 CB ILE A 49 12.446 -14.574 -24.094 1.00 22.25 C ATOM 741 CG1 ILE A 49 11.187 -15.021 -23.348 1.00 71.33 C ATOM 742 CG2 ILE A 49 13.581 -15.562 -23.867 1.00 51.14 C ATOM 743 CD1 ILE A 49 10.430 -16.127 -24.050 1.00 60.11 C ATOM 0 H ILE A 49 11.028 -12.542 -24.434 1.00 51.41 H new ATOM 0 HA ILE A 49 13.050 -13.176 -22.565 1.00 34.52 H new ATOM 0 HB ILE A 49 12.223 -14.545 -25.161 1.00 22.25 H new ATOM 0 HG12 ILE A 49 11.466 -15.359 -22.350 1.00 71.33 H new ATOM 0 HG13 ILE A 49 10.526 -14.164 -23.220 1.00 71.33 H new ATOM 0 HG21 ILE A 49 13.270 -16.555 -24.193 1.00 51.14 H new ATOM 0 HG22 ILE A 49 14.455 -15.250 -24.438 1.00 51.14 H new ATOM 0 HG23 ILE A 49 13.832 -15.591 -22.807 1.00 51.14 H new ATOM 0 HD11 ILE A 49 9.550 -16.393 -23.465 1.00 60.11 H new ATOM 0 HD12 ILE A 49 10.120 -15.786 -25.038 1.00 60.11 H new ATOM 0 HD13 ILE A 49 11.074 -17.000 -24.154 1.00 60.11 H new ATOM 755 N ARG A 50 13.998 -11.963 -25.415 1.00 1.04 N ATOM 756 CA ARG A 50 15.143 -11.509 -26.195 1.00 53.02 C ATOM 757 C ARG A 50 16.126 -10.737 -25.320 1.00 52.10 C ATOM 758 O ARG A 50 17.339 -10.908 -25.434 1.00 40.55 O ATOM 759 CB ARG A 50 14.678 -10.629 -27.357 1.00 70.11 C ATOM 760 CG ARG A 50 15.239 -11.054 -28.705 1.00 15.34 C ATOM 761 CD ARG A 50 14.263 -11.944 -29.458 1.00 61.22 C ATOM 762 NE ARG A 50 14.042 -13.216 -28.774 1.00 45.35 N ATOM 763 CZ ARG A 50 14.885 -14.241 -28.840 1.00 13.15 C ATOM 764 NH1 ARG A 50 15.998 -14.144 -29.553 1.00 72.43 N ATOM 765 NH2 ARG A 50 14.614 -15.366 -28.189 1.00 43.53 N ATOM 0 H ARG A 50 13.098 -11.614 -25.744 1.00 1.04 H new ATOM 0 HA ARG A 50 15.651 -12.387 -26.593 1.00 53.02 H new ATOM 0 HB2 ARG A 50 13.589 -10.649 -27.404 1.00 70.11 H new ATOM 0 HB3 ARG A 50 14.970 -9.597 -27.160 1.00 70.11 H new ATOM 0 HG2 ARG A 50 15.463 -10.170 -29.302 1.00 15.34 H new ATOM 0 HG3 ARG A 50 16.179 -11.586 -28.558 1.00 15.34 H new ATOM 0 HD2 ARG A 50 13.312 -11.424 -29.572 1.00 61.22 H new ATOM 0 HD3 ARG A 50 14.645 -12.133 -30.461 1.00 61.22 H new ATOM 0 HE ARG A 50 13.195 -13.323 -28.216 1.00 45.35 H new ATOM 0 HH11 ARG A 50 16.210 -13.281 -30.053 1.00 72.43 H new ATOM 0 HH12 ARG A 50 16.643 -14.933 -29.602 1.00 72.43 H new ATOM 0 HH21 ARG A 50 13.759 -15.443 -27.638 1.00 43.53 H new ATOM 0 HH22 ARG A 50 15.261 -16.153 -28.240 1.00 43.53 H new ATOM 779 N GLU A 51 15.593 -9.888 -24.447 1.00 54.33 N ATOM 780 CA GLU A 51 16.424 -9.089 -23.554 1.00 52.13 C ATOM 781 C GLU A 51 16.942 -9.933 -22.394 1.00 3.15 C ATOM 782 O GLU A 51 18.077 -9.763 -21.947 1.00 75.31 O ATOM 783 CB GLU A 51 15.632 -7.895 -23.017 1.00 44.51 C ATOM 784 CG GLU A 51 15.829 -6.622 -23.823 1.00 42.33 C ATOM 785 CD GLU A 51 17.109 -5.894 -23.461 1.00 10.41 C ATOM 786 OE1 GLU A 51 18.055 -6.556 -22.987 1.00 65.13 O ATOM 787 OE2 GLU A 51 17.163 -4.660 -23.651 1.00 65.54 O ATOM 0 H GLU A 51 14.590 -9.736 -24.339 1.00 54.33 H new ATOM 0 HA GLU A 51 17.278 -8.723 -24.124 1.00 52.13 H new ATOM 0 HB2 GLU A 51 14.572 -8.148 -23.007 1.00 44.51 H new ATOM 0 HB3 GLU A 51 15.926 -7.710 -21.984 1.00 44.51 H new ATOM 0 HG2 GLU A 51 15.843 -6.867 -24.885 1.00 42.33 H new ATOM 0 HG3 GLU A 51 14.980 -5.958 -23.660 1.00 42.33 H new ATOM 794 N ALA A 52 16.103 -10.842 -21.909 1.00 73.25 N ATOM 795 CA ALA A 52 16.476 -11.714 -20.802 1.00 53.32 C ATOM 796 C ALA A 52 17.012 -13.048 -21.310 1.00 52.22 C ATOM 797 O ALA A 52 16.767 -14.095 -20.711 1.00 15.11 O ATOM 798 CB ALA A 52 15.285 -11.937 -19.882 1.00 73.11 C ATOM 0 H ALA A 52 15.160 -10.994 -22.266 1.00 73.25 H new ATOM 0 HA ALA A 52 17.270 -11.225 -20.238 1.00 53.32 H new ATOM 0 HB1 ALA A 52 15.578 -12.590 -19.060 1.00 73.11 H new ATOM 0 HB2 ALA A 52 14.949 -10.980 -19.483 1.00 73.11 H new ATOM 0 HB3 ALA A 52 14.474 -12.401 -20.443 1.00 73.11 H new ATOM 804 N ASP A 53 17.744 -13.003 -22.418 1.00 15.30 N ATOM 805 CA ASP A 53 18.315 -14.209 -23.007 1.00 12.54 C ATOM 806 C ASP A 53 19.119 -13.873 -24.259 1.00 24.45 C ATOM 807 O ASP A 53 18.565 -13.758 -25.352 1.00 20.20 O ATOM 808 CB ASP A 53 17.209 -15.208 -23.348 1.00 72.14 C ATOM 809 CG ASP A 53 17.577 -16.630 -22.973 1.00 64.02 C ATOM 810 OD1 ASP A 53 18.769 -16.985 -23.092 1.00 54.21 O ATOM 811 OD2 ASP A 53 16.674 -17.388 -22.561 1.00 64.44 O ATOM 0 H ASP A 53 17.956 -12.144 -22.926 1.00 15.30 H new ATOM 0 HA ASP A 53 18.987 -14.659 -22.276 1.00 12.54 H new ATOM 0 HB2 ASP A 53 16.294 -14.924 -22.829 1.00 72.14 H new ATOM 0 HB3 ASP A 53 16.997 -15.160 -24.416 1.00 72.14 H new ATOM 866 N GLY A 58 21.789 -20.161 -24.763 1.00 41.04 N ATOM 867 CA GLY A 58 20.339 -20.187 -24.724 1.00 54.31 C ATOM 868 C GLY A 58 19.801 -20.420 -23.326 1.00 54.23 C ATOM 869 O GLY A 58 18.794 -21.106 -23.149 1.00 5.22 O ATOM 0 HA2 GLY A 58 19.951 -19.243 -25.107 1.00 54.31 H new ATOM 0 HA3 GLY A 58 19.975 -20.973 -25.386 1.00 54.31 H new ATOM 873 N GLN A 59 20.473 -19.849 -22.332 1.00 62.02 N ATOM 874 CA GLN A 59 20.057 -20.001 -20.943 1.00 2.11 C ATOM 875 C GLN A 59 20.017 -18.650 -20.236 1.00 24.22 C ATOM 876 O GLN A 59 20.789 -17.747 -20.557 1.00 44.40 O ATOM 877 CB GLN A 59 21.005 -20.948 -20.205 1.00 60.23 C ATOM 878 CG GLN A 59 21.087 -22.333 -20.828 1.00 4.33 C ATOM 879 CD GLN A 59 21.789 -23.334 -19.932 1.00 23.40 C ATOM 880 OE1 GLN A 59 21.344 -23.605 -18.816 1.00 65.32 O ATOM 881 NE2 GLN A 59 22.893 -23.891 -20.417 1.00 20.00 N ATOM 0 H GLN A 59 21.307 -19.277 -22.462 1.00 62.02 H new ATOM 0 HA GLN A 59 19.053 -20.425 -20.935 1.00 2.11 H new ATOM 0 HB2 GLN A 59 22.002 -20.508 -20.185 1.00 60.23 H new ATOM 0 HB3 GLN A 59 20.677 -21.043 -19.170 1.00 60.23 H new ATOM 0 HG2 GLN A 59 20.080 -22.690 -21.046 1.00 4.33 H new ATOM 0 HG3 GLN A 59 21.616 -22.269 -21.779 1.00 4.33 H new ATOM 0 HE21 GLN A 59 23.226 -23.637 -21.347 1.00 20.00 H new ATOM 0 HE22 GLN A 59 23.408 -24.573 -19.859 1.00 20.00 H new ATOM 890 N VAL A 60 19.112 -18.519 -19.271 1.00 60.04 N ATOM 891 CA VAL A 60 18.972 -17.279 -18.518 1.00 52.40 C ATOM 892 C VAL A 60 19.769 -17.331 -17.220 1.00 4.01 C ATOM 893 O VAL A 60 19.692 -18.304 -16.471 1.00 11.42 O ATOM 894 CB VAL A 60 17.496 -16.985 -18.189 1.00 72.43 C ATOM 895 CG1 VAL A 60 17.363 -15.648 -17.476 1.00 72.43 C ATOM 896 CG2 VAL A 60 16.653 -17.010 -19.456 1.00 4.32 C ATOM 0 H VAL A 60 18.465 -19.257 -18.993 1.00 60.04 H new ATOM 0 HA VAL A 60 19.362 -16.481 -19.149 1.00 52.40 H new ATOM 0 HB VAL A 60 17.129 -17.763 -17.520 1.00 72.43 H new ATOM 0 HG11 VAL A 60 16.313 -15.458 -17.252 1.00 72.43 H new ATOM 0 HG12 VAL A 60 17.934 -15.672 -16.548 1.00 72.43 H new ATOM 0 HG13 VAL A 60 17.747 -14.854 -18.117 1.00 72.43 H new ATOM 0 HG21 VAL A 60 15.613 -16.800 -19.205 1.00 4.32 H new ATOM 0 HG22 VAL A 60 17.018 -16.254 -20.151 1.00 4.32 H new ATOM 0 HG23 VAL A 60 16.723 -17.994 -19.920 1.00 4.32 H new ATOM 906 N ASN A 61 20.536 -16.277 -16.960 1.00 1.20 N ATOM 907 CA ASN A 61 21.349 -16.202 -15.751 1.00 70.34 C ATOM 908 C ASN A 61 20.517 -15.725 -14.565 1.00 2.50 C ATOM 909 O ASN A 61 19.767 -14.754 -14.670 1.00 40.11 O ATOM 910 CB ASN A 61 22.537 -15.262 -15.968 1.00 35.23 C ATOM 911 CG ASN A 61 23.661 -15.515 -14.982 1.00 61.12 C ATOM 912 OD1 ASN A 61 23.547 -15.197 -13.798 1.00 43.04 O ATOM 913 ND2 ASN A 61 24.755 -16.090 -15.468 1.00 61.11 N ATOM 0 H ASN A 61 20.612 -15.463 -17.570 1.00 1.20 H new ATOM 0 HA ASN A 61 21.722 -17.202 -15.531 1.00 70.34 H new ATOM 0 HB2 ASN A 61 22.913 -15.385 -16.984 1.00 35.23 H new ATOM 0 HB3 ASN A 61 22.201 -14.229 -15.875 1.00 35.23 H new ATOM 0 HD21 ASN A 61 25.545 -16.285 -14.853 1.00 61.11 H new ATOM 0 HD22 ASN A 61 24.805 -16.337 -16.456 1.00 61.11 H new ATOM 920 N TYR A 62 20.656 -16.412 -13.437 1.00 62.31 N ATOM 921 CA TYR A 62 19.917 -16.060 -12.231 1.00 13.21 C ATOM 922 C TYR A 62 20.130 -14.593 -11.871 1.00 13.35 C ATOM 923 O TYR A 62 19.172 -13.840 -11.698 1.00 32.04 O ATOM 924 CB TYR A 62 20.348 -16.951 -11.065 1.00 14.23 C ATOM 925 CG TYR A 62 19.879 -16.452 -9.716 1.00 72.14 C ATOM 926 CD1 TYR A 62 18.526 -16.397 -9.406 1.00 12.20 C ATOM 927 CD2 TYR A 62 20.790 -16.037 -8.752 1.00 75.24 C ATOM 928 CE1 TYR A 62 18.093 -15.941 -8.176 1.00 22.23 C ATOM 929 CE2 TYR A 62 20.366 -15.581 -7.519 1.00 21.51 C ATOM 930 CZ TYR A 62 19.017 -15.535 -7.236 1.00 0.15 C ATOM 931 OH TYR A 62 18.590 -15.082 -6.008 1.00 42.33 O ATOM 0 H TYR A 62 21.274 -17.217 -13.333 1.00 62.31 H new ATOM 0 HA TYR A 62 18.856 -16.217 -12.426 1.00 13.21 H new ATOM 0 HB2 TYR A 62 19.961 -17.957 -11.225 1.00 14.23 H new ATOM 0 HB3 TYR A 62 21.435 -17.025 -11.058 1.00 14.23 H new ATOM 0 HD1 TYR A 62 17.800 -16.716 -10.139 1.00 12.20 H new ATOM 0 HD2 TYR A 62 21.847 -16.072 -8.971 1.00 75.24 H new ATOM 0 HE1 TYR A 62 17.037 -15.903 -7.952 1.00 22.23 H new ATOM 0 HE2 TYR A 62 21.087 -15.262 -6.781 1.00 21.51 H new ATOM 0 HH TYR A 62 19.366 -14.836 -5.462 1.00 42.33 H new ATOM 941 N GLU A 63 21.393 -14.195 -11.760 1.00 2.32 N ATOM 942 CA GLU A 63 21.733 -12.818 -11.420 1.00 13.11 C ATOM 943 C GLU A 63 21.011 -11.837 -12.339 1.00 44.25 C ATOM 944 O GLU A 63 20.400 -10.872 -11.879 1.00 24.31 O ATOM 945 CB GLU A 63 23.245 -12.604 -11.514 1.00 31.15 C ATOM 946 CG GLU A 63 24.049 -13.554 -10.642 1.00 61.21 C ATOM 947 CD GLU A 63 25.380 -12.967 -10.213 1.00 71.32 C ATOM 948 OE1 GLU A 63 26.179 -12.600 -11.100 1.00 52.30 O ATOM 949 OE2 GLU A 63 25.623 -12.876 -8.992 1.00 14.02 O ATOM 0 H GLU A 63 22.198 -14.806 -11.900 1.00 2.32 H new ATOM 0 HA GLU A 63 21.411 -12.634 -10.395 1.00 13.11 H new ATOM 0 HB2 GLU A 63 23.557 -12.724 -12.551 1.00 31.15 H new ATOM 0 HB3 GLU A 63 23.477 -11.578 -11.229 1.00 31.15 H new ATOM 0 HG2 GLU A 63 23.467 -13.810 -9.757 1.00 61.21 H new ATOM 0 HG3 GLU A 63 24.224 -14.482 -11.187 1.00 61.21 H new ATOM 956 N ASP A 64 21.088 -12.090 -13.641 1.00 74.23 N ATOM 957 CA ASP A 64 20.442 -11.230 -14.627 1.00 21.44 C ATOM 958 C ASP A 64 18.973 -11.014 -14.279 1.00 55.03 C ATOM 959 O ASP A 64 18.541 -9.887 -14.037 1.00 55.23 O ATOM 960 CB ASP A 64 20.564 -11.839 -16.024 1.00 63.43 C ATOM 961 CG ASP A 64 21.762 -11.306 -16.786 1.00 12.23 C ATOM 962 OD1 ASP A 64 22.689 -10.777 -16.137 1.00 70.45 O ATOM 963 OD2 ASP A 64 21.771 -11.416 -18.030 1.00 4.32 O ATOM 0 H ASP A 64 21.591 -12.883 -14.038 1.00 74.23 H new ATOM 0 HA ASP A 64 20.946 -10.263 -14.616 1.00 21.44 H new ATOM 0 HB2 ASP A 64 20.644 -12.923 -15.939 1.00 63.43 H new ATOM 0 HB3 ASP A 64 19.656 -11.630 -16.589 1.00 63.43 H new ATOM 968 N PHE A 65 18.209 -12.101 -14.258 1.00 34.13 N ATOM 969 CA PHE A 65 16.787 -12.030 -13.942 1.00 74.22 C ATOM 970 C PHE A 65 16.556 -11.270 -12.639 1.00 71.23 C ATOM 971 O PHE A 65 15.606 -10.496 -12.519 1.00 30.45 O ATOM 972 CB PHE A 65 16.195 -13.437 -13.837 1.00 21.34 C ATOM 973 CG PHE A 65 14.771 -13.526 -14.307 1.00 4.02 C ATOM 974 CD1 PHE A 65 14.476 -13.573 -15.660 1.00 5.12 C ATOM 975 CD2 PHE A 65 13.728 -13.563 -13.396 1.00 0.11 C ATOM 976 CE1 PHE A 65 13.167 -13.654 -16.095 1.00 42.40 C ATOM 977 CE2 PHE A 65 12.417 -13.644 -13.825 1.00 73.12 C ATOM 978 CZ PHE A 65 12.136 -13.691 -15.177 1.00 1.53 C ATOM 0 H PHE A 65 18.551 -13.041 -14.456 1.00 34.13 H new ATOM 0 HA PHE A 65 16.288 -11.493 -14.748 1.00 74.22 H new ATOM 0 HB2 PHE A 65 16.806 -14.124 -14.423 1.00 21.34 H new ATOM 0 HB3 PHE A 65 16.248 -13.768 -12.800 1.00 21.34 H new ATOM 0 HD1 PHE A 65 15.278 -13.546 -16.383 1.00 5.12 H new ATOM 0 HD2 PHE A 65 13.942 -13.528 -12.338 1.00 0.11 H new ATOM 0 HE1 PHE A 65 12.950 -13.688 -17.152 1.00 42.40 H new ATOM 0 HE2 PHE A 65 11.613 -13.671 -13.104 1.00 73.12 H new ATOM 0 HZ PHE A 65 11.112 -13.757 -15.515 1.00 1.53 H new ATOM 988 N VAL A 66 17.432 -11.497 -11.666 1.00 31.24 N ATOM 989 CA VAL A 66 17.325 -10.834 -10.371 1.00 62.53 C ATOM 990 C VAL A 66 17.554 -9.333 -10.502 1.00 55.24 C ATOM 991 O VAL A 66 16.975 -8.541 -9.760 1.00 15.42 O ATOM 992 CB VAL A 66 18.335 -11.410 -9.361 1.00 44.01 C ATOM 993 CG1 VAL A 66 18.241 -10.674 -8.033 1.00 61.12 C ATOM 994 CG2 VAL A 66 18.107 -12.902 -9.171 1.00 12.23 C ATOM 0 H VAL A 66 18.224 -12.135 -11.749 1.00 31.24 H new ATOM 0 HA VAL A 66 16.314 -11.014 -10.006 1.00 62.53 H new ATOM 0 HB VAL A 66 19.340 -11.267 -9.757 1.00 44.01 H new ATOM 0 HG11 VAL A 66 18.962 -11.095 -7.332 1.00 61.12 H new ATOM 0 HG12 VAL A 66 18.459 -9.617 -8.187 1.00 61.12 H new ATOM 0 HG13 VAL A 66 17.235 -10.782 -7.627 1.00 61.12 H new ATOM 0 HG21 VAL A 66 18.830 -13.292 -8.454 1.00 12.23 H new ATOM 0 HG22 VAL A 66 17.097 -13.071 -8.797 1.00 12.23 H new ATOM 0 HG23 VAL A 66 18.231 -13.413 -10.126 1.00 12.23 H new ATOM 1004 N GLN A 67 18.401 -8.949 -11.452 1.00 73.30 N ATOM 1005 CA GLN A 67 18.705 -7.542 -11.680 1.00 45.21 C ATOM 1006 C GLN A 67 17.459 -6.779 -12.116 1.00 42.43 C ATOM 1007 O GLN A 67 17.202 -5.671 -11.646 1.00 35.13 O ATOM 1008 CB GLN A 67 19.801 -7.400 -12.738 1.00 70.32 C ATOM 1009 CG GLN A 67 20.823 -6.322 -12.416 1.00 20.34 C ATOM 1010 CD GLN A 67 22.124 -6.506 -13.172 1.00 20.54 C ATOM 1011 OE1 GLN A 67 22.608 -7.627 -13.334 1.00 74.24 O ATOM 1012 NE2 GLN A 67 22.699 -5.404 -13.639 1.00 33.32 N ATOM 0 H GLN A 67 18.888 -9.593 -12.076 1.00 73.30 H new ATOM 0 HA GLN A 67 19.059 -7.116 -10.741 1.00 45.21 H new ATOM 0 HB2 GLN A 67 20.315 -8.355 -12.847 1.00 70.32 H new ATOM 0 HB3 GLN A 67 19.339 -7.175 -13.699 1.00 70.32 H new ATOM 0 HG2 GLN A 67 20.403 -5.345 -12.656 1.00 20.34 H new ATOM 0 HG3 GLN A 67 21.026 -6.327 -11.345 1.00 20.34 H new ATOM 0 HE21 GLN A 67 22.263 -4.495 -13.482 1.00 33.32 H new ATOM 0 HE22 GLN A 67 23.577 -5.466 -14.155 1.00 33.32 H new ATOM 1021 N MET A 68 16.690 -7.378 -13.019 1.00 34.44 N ATOM 1022 CA MET A 68 15.469 -6.755 -13.517 1.00 44.25 C ATOM 1023 C MET A 68 14.479 -6.512 -12.383 1.00 25.45 C ATOM 1024 O MET A 68 13.778 -5.501 -12.364 1.00 22.42 O ATOM 1025 CB MET A 68 14.826 -7.632 -14.593 1.00 34.23 C ATOM 1026 CG MET A 68 14.380 -6.858 -15.823 1.00 3.14 C ATOM 1027 SD MET A 68 12.601 -6.957 -16.099 1.00 43.13 S ATOM 1028 CE MET A 68 12.329 -5.483 -17.079 1.00 55.24 C ATOM 0 H MET A 68 16.890 -8.294 -13.421 1.00 34.44 H new ATOM 0 HA MET A 68 15.735 -5.792 -13.954 1.00 44.25 H new ATOM 0 HB2 MET A 68 15.537 -8.401 -14.896 1.00 34.23 H new ATOM 0 HB3 MET A 68 13.965 -8.145 -14.165 1.00 34.23 H new ATOM 0 HG2 MET A 68 14.669 -5.813 -15.714 1.00 3.14 H new ATOM 0 HG3 MET A 68 14.902 -7.244 -16.699 1.00 3.14 H new ATOM 0 HE1 MET A 68 11.271 -5.403 -17.330 1.00 55.24 H new ATOM 0 HE2 MET A 68 12.634 -4.606 -16.509 1.00 55.24 H new ATOM 0 HE3 MET A 68 12.916 -5.542 -17.995 1.00 55.24 H new ATOM 1038 N MET A 69 14.428 -7.446 -11.439 1.00 21.55 N ATOM 1039 CA MET A 69 13.524 -7.333 -10.300 1.00 1.32 C ATOM 1040 C MET A 69 13.974 -6.220 -9.358 1.00 33.31 C ATOM 1041 O MET A 69 13.159 -5.615 -8.661 1.00 35.23 O ATOM 1042 CB MET A 69 13.453 -8.660 -9.543 1.00 24.31 C ATOM 1043 CG MET A 69 12.870 -9.798 -10.365 1.00 34.03 C ATOM 1044 SD MET A 69 11.123 -9.557 -10.742 1.00 40.03 S ATOM 1045 CE MET A 69 11.086 -10.006 -12.476 1.00 23.43 C ATOM 0 H MET A 69 15.002 -8.289 -11.440 1.00 21.55 H new ATOM 0 HA MET A 69 12.532 -7.086 -10.679 1.00 1.32 H new ATOM 0 HB2 MET A 69 14.455 -8.936 -9.215 1.00 24.31 H new ATOM 0 HB3 MET A 69 12.850 -8.525 -8.645 1.00 24.31 H new ATOM 0 HG2 MET A 69 13.429 -9.892 -11.296 1.00 34.03 H new ATOM 0 HG3 MET A 69 12.995 -10.735 -9.822 1.00 34.03 H new ATOM 0 HE1 MET A 69 10.069 -9.908 -12.856 1.00 23.43 H new ATOM 0 HE2 MET A 69 11.748 -9.346 -13.037 1.00 23.43 H new ATOM 0 HE3 MET A 69 11.419 -11.038 -12.592 1.00 23.43 H new ATOM 1055 N THR A 70 15.276 -5.955 -9.341 1.00 63.04 N ATOM 1056 CA THR A 70 15.834 -4.917 -8.484 1.00 41.31 C ATOM 1057 C THR A 70 16.318 -3.727 -9.305 1.00 53.12 C ATOM 1058 O THR A 70 17.204 -2.987 -8.880 1.00 45.13 O ATOM 1059 CB THR A 70 17.006 -5.454 -7.641 1.00 14.15 C ATOM 1060 OG1 THR A 70 17.959 -6.107 -8.486 1.00 43.40 O ATOM 1061 CG2 THR A 70 16.509 -6.427 -6.582 1.00 73.33 C ATOM 0 H THR A 70 15.965 -6.446 -9.912 1.00 63.04 H new ATOM 0 HA THR A 70 15.034 -4.594 -7.818 1.00 41.31 H new ATOM 0 HB THR A 70 17.482 -4.610 -7.142 1.00 14.15 H new ATOM 0 HG1 THR A 70 17.566 -6.929 -8.848 1.00 43.40 H new ATOM 0 HG21 THR A 70 17.354 -6.793 -5.999 1.00 73.33 H new ATOM 0 HG22 THR A 70 15.806 -5.919 -5.922 1.00 73.33 H new ATOM 0 HG23 THR A 70 16.010 -7.267 -7.065 1.00 73.33 H new ATOM 1069 N ALA A 71 15.729 -3.548 -10.483 1.00 71.22 N ATOM 1070 CA ALA A 71 16.098 -2.446 -11.363 1.00 3.05 C ATOM 1071 C ALA A 71 15.204 -1.233 -11.128 1.00 25.03 C ATOM 1072 O ALA A 71 15.686 -0.146 -10.807 1.00 62.23 O ATOM 1073 CB ALA A 71 16.025 -2.884 -12.818 1.00 32.43 C ATOM 0 H ALA A 71 14.994 -4.152 -10.850 1.00 71.22 H new ATOM 0 HA ALA A 71 17.124 -2.159 -11.133 1.00 3.05 H new ATOM 0 HB1 ALA A 71 16.303 -2.051 -13.463 1.00 32.43 H new ATOM 0 HB2 ALA A 71 16.711 -3.715 -12.983 1.00 32.43 H new ATOM 0 HB3 ALA A 71 15.009 -3.201 -13.052 1.00 32.43 H new