USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1072 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 52 HIS :FLIP no HD1:sc= -0.237 F(o=-2.1,f=-0.24) USER MOD Set 1.2: A 79 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 34 HIS : no HD1:sc= 0.636 K(o=1.5,f=-2.8) USER MOD Set 2.2: A 143 SER OG : rot -111:sc= 0.816 USER MOD Single : A 9 THR OG1 : rot 28:sc= 0.254 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.7!) USER MOD Single : A 27 THR OG1 : rot 67:sc= 0.167 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00865 USER MOD Single : A 48 MET CE :methyl 137:sc= -0.0733 (180deg=-0.851) USER MOD Single : A 53 ASN : amide:sc= -2.74! C(o=-2.7!,f=-4.2!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 157:sc= -5.92! (180deg=-7.97!) USER MOD Single : A 58 ASN : amide:sc= -0.0866 K(o=-0.087,f=-1.9!) USER MOD Single : A 59 THR OG1 : rot -170:sc= -1.46 USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0381) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 63 ASN : amide:sc= -3.21 K(o=-3.2,f=-10!) USER MOD Single : A 68 TYR OH : rot 152:sc= 0.737 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -2.23! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.012 X(o=-0.012,f=0.45) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00493 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0721 USER MOD Single : A 98 ASN : amide:sc=-0.00378 K(o=-0.0038,f=-1.6!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc= -0.413 F(o=-1.4,f=-0.41) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 108 ASN : amide:sc= -0.0661 X(o=-0.066,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 170:sc= -2.3! (180deg=-3.12!) USER MOD Single : A 111 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.28) USER MOD Single : A 119 LYS NZ :NH3+ -121:sc= -0.0011 (180deg=-0.379) USER MOD Single : A 122 MET CE :methyl -152:sc= -0.158 (180deg=-0.948) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 ASN : amide:sc= -2.42 K(o=-2.4,f=-4.2!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.209 13.842 -4.414 1.00 0.00 N ATOM 142 CA THR A 9 105.509 14.763 -5.553 1.00 0.00 C ATOM 143 C THR A 9 106.967 14.605 -6.007 1.00 0.00 C ATOM 144 O THR A 9 107.791 14.059 -5.301 1.00 0.00 O ATOM 145 CB THR A 9 105.264 16.171 -4.999 1.00 0.00 C ATOM 146 OG1 THR A 9 103.934 16.256 -4.508 1.00 0.00 O ATOM 147 CG2 THR A 9 105.458 17.205 -6.109 1.00 0.00 C ATOM 0 HA THR A 9 104.889 14.553 -6.424 1.00 0.00 H new ATOM 0 HB THR A 9 105.970 16.370 -4.193 1.00 0.00 H new ATOM 0 HG1 THR A 9 103.636 15.369 -4.216 1.00 0.00 H new ATOM 0 HG21 THR A 9 105.283 18.204 -5.710 1.00 0.00 H new ATOM 0 HG22 THR A 9 106.476 17.141 -6.492 1.00 0.00 H new ATOM 0 HG23 THR A 9 104.753 17.008 -6.917 1.00 0.00 H new ATOM 155 N ALA A 10 107.289 15.086 -7.181 1.00 0.00 N ATOM 156 CA ALA A 10 108.691 14.971 -7.679 1.00 0.00 C ATOM 157 C ALA A 10 109.648 15.665 -6.703 1.00 0.00 C ATOM 158 O ALA A 10 110.737 15.200 -6.449 1.00 0.00 O ATOM 159 CB ALA A 10 108.689 15.681 -9.035 1.00 0.00 C ATOM 0 H ALA A 10 106.641 15.553 -7.815 1.00 0.00 H new ATOM 0 HA ALA A 10 109.021 13.936 -7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.688 15.640 -9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 10 107.983 15.187 -9.703 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.394 16.722 -8.900 1.00 0.00 H new ATOM 165 N GLU A 11 109.233 16.766 -6.141 1.00 0.00 N ATOM 166 CA GLU A 11 110.087 17.494 -5.160 1.00 0.00 C ATOM 167 C GLU A 11 110.615 16.534 -4.087 1.00 0.00 C ATOM 168 O GLU A 11 111.805 16.360 -3.919 1.00 0.00 O ATOM 169 CB GLU A 11 109.135 18.503 -4.516 1.00 0.00 C ATOM 170 CG GLU A 11 108.733 19.570 -5.540 1.00 0.00 C ATOM 171 CD GLU A 11 107.680 20.506 -4.930 1.00 0.00 C ATOM 172 OE1 GLU A 11 107.208 20.220 -3.837 1.00 0.00 O1- ATOM 173 OE2 GLU A 11 107.349 21.488 -5.572 1.00 0.00 O ATOM 0 H GLU A 11 108.327 17.198 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 11 110.954 17.957 -5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.247 17.992 -4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 11 109.616 18.973 -3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 11 109.609 20.143 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU A 11 108.335 19.095 -6.437 1.00 0.00 H new ATOM 180 N GLU A 12 109.726 15.927 -3.352 1.00 0.00 N ATOM 181 CA GLU A 12 110.156 14.994 -2.274 1.00 0.00 C ATOM 182 C GLU A 12 110.907 13.786 -2.859 1.00 0.00 C ATOM 183 O GLU A 12 111.908 13.356 -2.321 1.00 0.00 O ATOM 184 CB GLU A 12 108.858 14.563 -1.595 1.00 0.00 C ATOM 185 CG GLU A 12 108.243 15.757 -0.861 1.00 0.00 C ATOM 186 CD GLU A 12 106.889 15.364 -0.254 1.00 0.00 C ATOM 187 OE1 GLU A 12 106.474 14.230 -0.440 1.00 0.00 O ATOM 188 OE2 GLU A 12 106.290 16.208 0.391 1.00 0.00 O1- ATOM 0 H GLU A 12 108.717 16.037 -3.452 1.00 0.00 H new ATOM 0 HA GLU A 12 110.847 15.463 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 12 108.158 14.179 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 12 109.054 13.753 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.917 16.097 -0.075 1.00 0.00 H new ATOM 0 HG3 GLU A 12 108.112 16.590 -1.552 1.00 0.00 H new ATOM 195 N GLU A 13 110.450 13.247 -3.961 1.00 0.00 N ATOM 196 CA GLU A 13 111.164 12.085 -4.578 1.00 0.00 C ATOM 197 C GLU A 13 112.580 12.490 -5.002 1.00 0.00 C ATOM 198 O GLU A 13 113.520 11.722 -4.904 1.00 0.00 O ATOM 199 CB GLU A 13 110.333 11.703 -5.796 1.00 0.00 C ATOM 200 CG GLU A 13 108.979 11.138 -5.346 1.00 0.00 C ATOM 201 CD GLU A 13 108.122 10.804 -6.577 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.574 11.044 -7.688 1.00 0.00 O ATOM 203 OE2 GLU A 13 107.026 10.304 -6.387 1.00 0.00 O1- ATOM 0 H GLU A 13 109.617 13.559 -4.460 1.00 0.00 H new ATOM 0 HA GLU A 13 111.268 11.255 -3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.180 12.575 -6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.866 10.963 -6.393 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.130 10.243 -4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.462 11.863 -4.717 1.00 0.00 H new ATOM 210 N LYS A 14 112.742 13.684 -5.486 1.00 0.00 N ATOM 211 CA LYS A 14 114.097 14.124 -5.916 1.00 0.00 C ATOM 212 C LYS A 14 115.046 14.174 -4.713 1.00 0.00 C ATOM 213 O LYS A 14 116.180 13.742 -4.784 1.00 0.00 O ATOM 214 CB LYS A 14 113.895 15.517 -6.507 1.00 0.00 C ATOM 215 CG LYS A 14 115.216 16.013 -7.096 1.00 0.00 C ATOM 216 CD LYS A 14 115.002 17.375 -7.757 1.00 0.00 C ATOM 217 CE LYS A 14 116.326 17.862 -8.347 1.00 0.00 C ATOM 218 NZ LYS A 14 116.006 19.169 -8.981 1.00 0.00 N1+ ATOM 0 H LYS A 14 112.000 14.374 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 14 114.543 13.441 -6.639 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.127 15.489 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.546 16.204 -5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.969 16.092 -6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.592 15.297 -7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.248 17.298 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.630 18.093 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 14 117.086 17.974 -7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.717 17.154 -9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.866 19.567 -9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.285 19.030 -9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.643 19.825 -8.260 1.00 0.00 H new ATOM 232 N ALA A 15 114.594 14.715 -3.611 1.00 0.00 N ATOM 233 CA ALA A 15 115.474 14.812 -2.406 1.00 0.00 C ATOM 234 C ALA A 15 115.871 13.422 -1.899 1.00 0.00 C ATOM 235 O ALA A 15 117.006 13.191 -1.525 1.00 0.00 O ATOM 236 CB ALA A 15 114.629 15.535 -1.358 1.00 0.00 C ATOM 0 H ALA A 15 113.654 15.094 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 15 116.403 15.337 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.205 15.646 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.349 16.520 -1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.729 14.955 -1.153 1.00 0.00 H new ATOM 242 N ILE A 16 114.956 12.490 -1.878 1.00 0.00 N ATOM 243 CA ILE A 16 115.308 11.129 -1.389 1.00 0.00 C ATOM 244 C ILE A 16 116.265 10.449 -2.366 1.00 0.00 C ATOM 245 O ILE A 16 117.076 9.626 -1.989 1.00 0.00 O ATOM 246 CB ILE A 16 113.987 10.366 -1.276 1.00 0.00 C ATOM 247 CG1 ILE A 16 114.243 8.993 -0.661 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.355 10.191 -2.650 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.912 8.373 -0.232 1.00 0.00 C ATOM 0 H ILE A 16 113.988 12.612 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 16 115.818 11.161 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 16 113.307 10.936 -0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.742 8.346 -1.383 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.908 9.085 0.198 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.416 9.646 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 16 113.162 11.170 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 16 114.033 9.631 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 16 113.092 7.392 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.431 9.017 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 16 112.263 8.267 -1.101 1.00 0.00 H new ATOM 261 N VAL A 17 116.199 10.818 -3.617 1.00 0.00 N ATOM 262 CA VAL A 17 117.132 10.231 -4.615 1.00 0.00 C ATOM 263 C VAL A 17 118.546 10.704 -4.277 1.00 0.00 C ATOM 264 O VAL A 17 119.502 9.958 -4.343 1.00 0.00 O ATOM 265 CB VAL A 17 116.677 10.769 -5.976 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.699 10.384 -7.050 1.00 0.00 C ATOM 267 CG2 VAL A 17 115.321 10.158 -6.335 1.00 0.00 C ATOM 0 H VAL A 17 115.539 11.501 -3.989 1.00 0.00 H new ATOM 0 HA VAL A 17 117.131 9.141 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 17 116.593 11.854 -5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 17 117.373 10.768 -8.017 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.670 10.811 -6.798 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.783 9.298 -7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.995 10.539 -7.303 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.412 9.073 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.588 10.426 -5.574 1.00 0.00 H new ATOM 277 N ASP A 18 118.672 11.951 -3.916 1.00 0.00 N ATOM 278 CA ASP A 18 120.017 12.488 -3.569 1.00 0.00 C ATOM 279 C ASP A 18 120.552 11.772 -2.332 1.00 0.00 C ATOM 280 O ASP A 18 121.734 11.520 -2.217 1.00 0.00 O ATOM 281 CB ASP A 18 119.830 13.986 -3.322 1.00 0.00 C ATOM 282 CG ASP A 18 119.894 14.748 -4.653 1.00 0.00 C ATOM 283 OD1 ASP A 18 120.179 14.127 -5.668 1.00 0.00 O ATOM 284 OD2 ASP A 18 119.664 15.945 -4.633 1.00 0.00 O1- ATOM 0 H ASP A 18 117.904 12.619 -3.846 1.00 0.00 H new ATOM 0 HA ASP A 18 120.744 12.327 -4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.871 14.166 -2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 18 120.604 14.351 -2.647 1.00 0.00 H new ATOM 289 N ALA A 19 119.695 11.426 -1.415 1.00 0.00 N ATOM 290 CA ALA A 19 120.171 10.708 -0.202 1.00 0.00 C ATOM 291 C ALA A 19 120.732 9.336 -0.604 1.00 0.00 C ATOM 292 O ALA A 19 121.733 8.888 -0.082 1.00 0.00 O ATOM 293 CB ALA A 19 118.931 10.564 0.682 1.00 0.00 C ATOM 0 H ALA A 19 118.692 11.608 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 19 120.970 11.235 0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.198 10.042 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.541 11.552 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 19 118.169 9.995 0.150 1.00 0.00 H new ATOM 299 N ILE A 20 120.095 8.667 -1.533 1.00 0.00 N ATOM 300 CA ILE A 20 120.596 7.327 -1.972 1.00 0.00 C ATOM 301 C ILE A 20 121.971 7.470 -2.636 1.00 0.00 C ATOM 302 O ILE A 20 122.875 6.692 -2.396 1.00 0.00 O ATOM 303 CB ILE A 20 119.552 6.823 -2.974 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.246 6.550 -2.226 1.00 0.00 C ATOM 305 CG2 ILE A 20 120.041 5.525 -3.630 1.00 0.00 C ATOM 306 CD1 ILE A 20 117.119 6.291 -3.228 1.00 0.00 C ATOM 0 H ILE A 20 119.251 8.990 -2.006 1.00 0.00 H new ATOM 0 HA ILE A 20 120.721 6.635 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 20 119.394 7.575 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.366 5.689 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.994 7.401 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.294 5.173 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.979 5.712 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.198 4.767 -2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 20 116.191 6.097 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.992 7.165 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.370 5.426 -3.842 1.00 0.00 H new ATOM 318 N ARG A 21 122.128 8.458 -3.471 1.00 0.00 N ATOM 319 CA ARG A 21 123.433 8.660 -4.158 1.00 0.00 C ATOM 320 C ARG A 21 124.529 8.916 -3.120 1.00 0.00 C ATOM 321 O ARG A 21 125.637 8.430 -3.232 1.00 0.00 O ATOM 322 CB ARG A 21 123.224 9.907 -5.020 1.00 0.00 C ATOM 323 CG ARG A 21 122.259 9.590 -6.167 1.00 0.00 C ATOM 324 CD ARG A 21 122.092 10.830 -7.054 1.00 0.00 C ATOM 325 NE ARG A 21 121.096 10.440 -8.094 1.00 0.00 N ATOM 326 CZ ARG A 21 120.941 11.181 -9.161 1.00 0.00 C ATOM 327 NH1 ARG A 21 120.270 12.300 -9.089 1.00 0.00 N ATOM 328 NH2 ARG A 21 121.452 10.802 -10.302 1.00 0.00 N1+ ATOM 0 H ARG A 21 121.405 9.137 -3.708 1.00 0.00 H new ATOM 0 HA ARG A 21 123.737 7.795 -4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.825 10.718 -4.411 1.00 0.00 H new ATOM 0 HB3 ARG A 21 124.179 10.248 -5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.640 8.757 -6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.292 9.282 -5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.741 11.684 -6.474 1.00 0.00 H new ATOM 0 HD3 ARG A 21 123.040 11.120 -7.507 1.00 0.00 H new ATOM 0 HE ARG A 21 120.536 9.596 -7.973 1.00 0.00 H new ATOM 0 HH11 ARG A 21 119.867 12.596 -8.200 1.00 0.00 H new ATOM 0 HH12 ARG A 21 120.150 12.877 -9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 21 121.973 9.927 -10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 21 121.330 11.381 -11.133 1.00 0.00 H new ATOM 342 N ASP A 22 124.222 9.690 -2.117 1.00 0.00 N ATOM 343 CA ASP A 22 125.230 10.003 -1.066 1.00 0.00 C ATOM 344 C ASP A 22 125.635 8.744 -0.290 1.00 0.00 C ATOM 345 O ASP A 22 126.786 8.574 0.062 1.00 0.00 O ATOM 346 CB ASP A 22 124.526 11.003 -0.145 1.00 0.00 C ATOM 347 CG ASP A 22 124.672 12.425 -0.706 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.391 12.596 -1.678 1.00 0.00 O1- ATOM 349 OD2 ASP A 22 124.062 13.321 -0.148 1.00 0.00 O ATOM 0 H ASP A 22 123.309 10.123 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 22 126.151 10.402 -1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.471 10.746 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.954 10.952 0.856 1.00 0.00 H new ATOM 354 N ALA A 23 124.709 7.860 -0.015 1.00 0.00 N ATOM 355 CA ALA A 23 125.081 6.627 0.745 1.00 0.00 C ATOM 356 C ALA A 23 126.044 5.785 -0.089 1.00 0.00 C ATOM 357 O ALA A 23 126.985 5.215 0.425 1.00 0.00 O ATOM 358 CB ALA A 23 123.781 5.873 1.000 1.00 0.00 C ATOM 0 H ALA A 23 123.727 7.935 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 23 125.580 6.862 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.993 4.959 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 23 123.104 6.500 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.315 5.620 0.048 1.00 0.00 H new ATOM 364 N GLU A 24 125.821 5.694 -1.376 1.00 0.00 N ATOM 365 CA GLU A 24 126.736 4.885 -2.235 1.00 0.00 C ATOM 366 C GLU A 24 128.175 5.426 -2.154 1.00 0.00 C ATOM 367 O GLU A 24 129.120 4.737 -2.481 1.00 0.00 O ATOM 368 CB GLU A 24 126.184 5.031 -3.648 1.00 0.00 C ATOM 369 CG GLU A 24 124.812 4.364 -3.725 1.00 0.00 C ATOM 370 CD GLU A 24 124.965 2.857 -3.500 1.00 0.00 C ATOM 371 OE1 GLU A 24 126.066 2.359 -3.670 1.00 0.00 O ATOM 372 OE2 GLU A 24 123.977 2.227 -3.163 1.00 0.00 O1- ATOM 0 H GLU A 24 125.048 6.143 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 24 126.778 3.843 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 24 126.104 6.085 -3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.865 4.573 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.146 4.789 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.358 4.553 -4.698 1.00 0.00 H new ATOM 379 N LYS A 25 128.350 6.631 -1.672 1.00 0.00 N ATOM 380 CA LYS A 25 129.719 7.170 -1.515 1.00 0.00 C ATOM 381 C LYS A 25 130.203 6.916 -0.067 1.00 0.00 C ATOM 382 O LYS A 25 131.313 7.260 0.290 1.00 0.00 O ATOM 383 CB LYS A 25 129.584 8.660 -1.816 1.00 0.00 C ATOM 384 CG LYS A 25 129.084 8.839 -3.252 1.00 0.00 C ATOM 385 CD LYS A 25 128.824 10.322 -3.523 1.00 0.00 C ATOM 386 CE LYS A 25 128.346 10.509 -4.969 1.00 0.00 C ATOM 387 NZ LYS A 25 128.096 11.972 -5.114 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.599 7.258 -1.383 1.00 0.00 H new ATOM 0 HA LYS A 25 130.450 6.703 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.889 9.123 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.545 9.158 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.822 8.454 -3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.170 8.265 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 25 128.073 10.702 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.734 10.897 -3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.098 10.166 -5.679 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.440 9.934 -5.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.766 12.174 -6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.370 12.270 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 128.977 12.494 -4.933 1.00 0.00 H new ATOM 401 N ASN A 26 129.378 6.307 0.770 1.00 0.00 N ATOM 402 CA ASN A 26 129.783 6.013 2.168 1.00 0.00 C ATOM 403 C ASN A 26 129.949 4.495 2.364 1.00 0.00 C ATOM 404 O ASN A 26 130.549 4.052 3.323 1.00 0.00 O ATOM 405 CB ASN A 26 128.625 6.529 3.021 1.00 0.00 C ATOM 406 CG ASN A 26 128.627 8.057 3.011 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.610 8.672 2.646 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.562 8.702 3.403 1.00 0.00 N ATOM 0 H ASN A 26 128.435 6.004 0.527 1.00 0.00 H new ATOM 0 HA ASN A 26 130.734 6.477 2.432 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.678 6.153 2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.720 6.161 4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.555 9.722 3.403 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.737 8.186 3.709 1.00 0.00 H new ATOM 415 N THR A 27 129.441 3.697 1.457 1.00 0.00 N ATOM 416 CA THR A 27 129.592 2.215 1.589 1.00 0.00 C ATOM 417 C THR A 27 129.556 1.558 0.206 1.00 0.00 C ATOM 418 O THR A 27 129.011 2.098 -0.737 1.00 0.00 O ATOM 419 CB THR A 27 128.397 1.746 2.424 1.00 0.00 C ATOM 420 OG1 THR A 27 128.396 0.320 2.508 1.00 0.00 O ATOM 421 CG2 THR A 27 127.101 2.212 1.759 1.00 0.00 C ATOM 0 H THR A 27 128.929 4.008 0.632 1.00 0.00 H new ATOM 0 HA THR A 27 130.540 1.947 2.056 1.00 0.00 H new ATOM 0 HB THR A 27 128.471 2.167 3.427 1.00 0.00 H new ATOM 0 HG1 THR A 27 129.174 0.022 3.024 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.248 1.880 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 27 127.096 3.300 1.695 1.00 0.00 H new ATOM 0 HG23 THR A 27 127.034 1.789 0.757 1.00 0.00 H new ATOM 429 N SER A 28 130.087 0.373 0.094 1.00 0.00 N ATOM 430 CA SER A 28 130.039 -0.345 -1.205 1.00 0.00 C ATOM 431 C SER A 28 128.727 -1.146 -1.311 1.00 0.00 C ATOM 432 O SER A 28 128.391 -1.656 -2.362 1.00 0.00 O ATOM 433 CB SER A 28 131.242 -1.283 -1.181 1.00 0.00 C ATOM 434 OG SER A 28 131.063 -2.242 -0.147 1.00 0.00 O ATOM 0 H SER A 28 130.553 -0.129 0.850 1.00 0.00 H new ATOM 0 HA SER A 28 130.071 0.332 -2.059 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.348 -1.783 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 28 132.158 -0.716 -1.014 1.00 0.00 H new ATOM 0 HG SER A 28 131.832 -2.849 -0.127 1.00 0.00 H new ATOM 440 N GLY A 29 127.979 -1.256 -0.233 1.00 0.00 N ATOM 441 CA GLY A 29 126.705 -2.007 -0.278 1.00 0.00 C ATOM 442 C GLY A 29 125.708 -1.252 -1.146 1.00 0.00 C ATOM 443 O GLY A 29 125.947 -0.130 -1.551 1.00 0.00 O ATOM 0 H GLY A 29 128.209 -0.851 0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.872 -3.006 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.307 -2.132 0.729 1.00 0.00 H new ATOM 447 N GLU A 30 124.598 -1.856 -1.450 1.00 0.00 N ATOM 448 CA GLU A 30 123.598 -1.157 -2.314 1.00 0.00 C ATOM 449 C GLU A 30 122.195 -1.212 -1.706 1.00 0.00 C ATOM 450 O GLU A 30 121.728 -2.240 -1.258 1.00 0.00 O ATOM 451 CB GLU A 30 123.633 -1.900 -3.649 1.00 0.00 C ATOM 452 CG GLU A 30 125.023 -1.772 -4.278 1.00 0.00 C ATOM 453 CD GLU A 30 125.278 -0.317 -4.677 1.00 0.00 C ATOM 454 OE1 GLU A 30 124.315 0.418 -4.814 1.00 0.00 O1- ATOM 455 OE2 GLU A 30 126.434 0.034 -4.847 1.00 0.00 O ATOM 0 H GLU A 30 124.336 -2.793 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 30 123.839 -0.099 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.388 -2.951 -3.497 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.880 -1.491 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 30 125.784 -2.104 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.097 -2.417 -5.153 1.00 0.00 H new ATOM 462 N ILE A 31 121.524 -0.090 -1.700 1.00 0.00 N ATOM 463 CA ILE A 31 120.147 -0.026 -1.137 1.00 0.00 C ATOM 464 C ILE A 31 119.164 0.453 -2.206 1.00 0.00 C ATOM 465 O ILE A 31 119.410 1.416 -2.907 1.00 0.00 O ATOM 466 CB ILE A 31 120.225 0.984 0.002 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.194 0.468 1.068 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.837 1.152 0.620 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.457 1.570 2.095 1.00 0.00 C ATOM 0 H ILE A 31 121.878 0.794 -2.066 1.00 0.00 H new ATOM 0 HA ILE A 31 119.799 -1.000 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 31 120.576 1.943 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.776 -0.410 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 31 122.130 0.158 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.887 1.873 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 31 118.142 1.510 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.492 0.193 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.147 1.202 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.893 2.435 1.596 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.518 1.859 2.567 1.00 0.00 H new ATOM 481 N ARG A 32 118.039 -0.193 -2.313 1.00 0.00 N ATOM 482 CA ARG A 32 117.014 0.235 -3.304 1.00 0.00 C ATOM 483 C ARG A 32 115.638 0.169 -2.640 1.00 0.00 C ATOM 484 O ARG A 32 115.430 -0.562 -1.693 1.00 0.00 O ATOM 485 CB ARG A 32 117.122 -0.742 -4.476 1.00 0.00 C ATOM 486 CG ARG A 32 118.475 -0.555 -5.170 1.00 0.00 C ATOM 487 CD ARG A 32 118.627 -1.585 -6.291 1.00 0.00 C ATOM 488 NE ARG A 32 117.546 -1.257 -7.262 1.00 0.00 N ATOM 489 CZ ARG A 32 117.355 -2.011 -8.311 1.00 0.00 C ATOM 490 NH1 ARG A 32 116.630 -3.089 -8.218 1.00 0.00 N ATOM 491 NH2 ARG A 32 117.884 -1.680 -9.455 1.00 0.00 N1+ ATOM 0 H ARG A 32 117.783 -1.006 -1.752 1.00 0.00 H new ATOM 0 HA ARG A 32 117.162 1.256 -3.656 1.00 0.00 H new ATOM 0 HB2 ARG A 32 117.022 -1.767 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.311 -0.570 -5.183 1.00 0.00 H new ATOM 0 HG2 ARG A 32 118.549 0.453 -5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 32 119.284 -0.667 -4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 32 119.610 -1.519 -6.757 1.00 0.00 H new ATOM 0 HD3 ARG A 32 118.522 -2.601 -5.911 1.00 0.00 H new ATOM 0 HE ARG A 32 116.953 -0.441 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 32 116.210 -3.346 -7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 32 116.482 -3.676 -9.039 1.00 0.00 H new ATOM 0 HH21 ARG A 32 118.447 -0.833 -9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 32 117.735 -2.268 -10.275 1.00 0.00 H new ATOM 505 N VAL A 33 114.712 0.958 -3.097 1.00 0.00 N ATOM 506 CA VAL A 33 113.363 0.979 -2.462 1.00 0.00 C ATOM 507 C VAL A 33 112.263 0.622 -3.471 1.00 0.00 C ATOM 508 O VAL A 33 112.298 1.026 -4.616 1.00 0.00 O ATOM 509 CB VAL A 33 113.208 2.418 -1.960 1.00 0.00 C ATOM 510 CG1 VAL A 33 114.259 2.695 -0.882 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.405 3.399 -3.120 1.00 0.00 C ATOM 0 H VAL A 33 114.828 1.593 -3.886 1.00 0.00 H new ATOM 0 HA VAL A 33 113.271 0.245 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 33 112.208 2.547 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 33 114.151 3.718 -0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 33 114.120 2.003 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 33 115.256 2.561 -1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.293 4.420 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 33 114.403 3.270 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 33 112.659 3.205 -3.891 1.00 0.00 H new ATOM 521 N HIS A 34 111.279 -0.127 -3.038 1.00 0.00 N ATOM 522 CA HIS A 34 110.154 -0.518 -3.943 1.00 0.00 C ATOM 523 C HIS A 34 108.816 -0.118 -3.306 1.00 0.00 C ATOM 524 O HIS A 34 108.538 -0.423 -2.162 1.00 0.00 O ATOM 525 CB HIS A 34 110.262 -2.039 -4.081 1.00 0.00 C ATOM 526 CG HIS A 34 109.298 -2.530 -5.127 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.665 -2.682 -6.456 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.983 -2.916 -5.056 1.00 0.00 C ATOM 529 CE1 HIS A 34 108.590 -3.142 -7.123 1.00 0.00 C ATOM 530 NE2 HIS A 34 107.538 -3.301 -6.316 1.00 0.00 N ATOM 0 H HIS A 34 111.207 -0.488 -2.087 1.00 0.00 H new ATOM 0 HA HIS A 34 110.205 -0.026 -4.914 1.00 0.00 H new ATOM 0 HB2 HIS A 34 111.280 -2.316 -4.354 1.00 0.00 H new ATOM 0 HB3 HIS A 34 110.047 -2.515 -3.124 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.384 -2.920 -4.157 1.00 0.00 H new ATOM 0 HE1 HIS A 34 108.580 -3.356 -8.181 1.00 0.00 H new ATOM 0 HE2 HIS A 34 106.608 -3.634 -6.569 1.00 0.00 H new ATOM 538 N LEU A 35 108.000 0.586 -4.047 1.00 0.00 N ATOM 539 CA LEU A 35 106.679 1.055 -3.524 1.00 0.00 C ATOM 540 C LEU A 35 105.514 0.454 -4.323 1.00 0.00 C ATOM 541 O LEU A 35 105.457 0.547 -5.533 1.00 0.00 O ATOM 542 CB LEU A 35 106.709 2.568 -3.734 1.00 0.00 C ATOM 543 CG LEU A 35 105.481 3.199 -3.080 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.617 3.122 -1.559 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.368 4.660 -3.518 1.00 0.00 C ATOM 0 H LEU A 35 108.196 0.861 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 35 106.531 0.761 -2.485 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.619 2.987 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.725 2.797 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 35 104.584 2.660 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.741 3.572 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.695 2.079 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.512 3.660 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.492 5.113 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.263 5.202 -3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.268 4.708 -4.602 1.00 0.00 H new ATOM 557 N GLU A 36 104.563 -0.124 -3.634 1.00 0.00 N ATOM 558 CA GLU A 36 103.365 -0.696 -4.318 1.00 0.00 C ATOM 559 C GLU A 36 102.141 -0.545 -3.407 1.00 0.00 C ATOM 560 O GLU A 36 102.257 -0.207 -2.246 1.00 0.00 O ATOM 561 CB GLU A 36 103.687 -2.163 -4.589 1.00 0.00 C ATOM 562 CG GLU A 36 102.533 -2.806 -5.366 1.00 0.00 C ATOM 563 CD GLU A 36 102.884 -4.257 -5.710 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.849 -4.767 -5.162 1.00 0.00 O ATOM 565 OE2 GLU A 36 102.178 -4.836 -6.519 1.00 0.00 O1- ATOM 0 H GLU A 36 104.566 -0.225 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 36 103.135 -0.184 -5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.612 -2.244 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.845 -2.691 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.620 -2.774 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.339 -2.243 -6.279 1.00 0.00 H new ATOM 572 N LYS A 37 100.964 -0.750 -3.942 1.00 0.00 N ATOM 573 CA LYS A 37 99.722 -0.572 -3.128 1.00 0.00 C ATOM 574 C LYS A 37 99.390 -1.789 -2.257 1.00 0.00 C ATOM 575 O LYS A 37 99.616 -1.782 -1.064 1.00 0.00 O ATOM 576 CB LYS A 37 98.613 -0.309 -4.149 1.00 0.00 C ATOM 577 CG LYS A 37 98.792 1.094 -4.737 1.00 0.00 C ATOM 578 CD LYS A 37 97.694 1.373 -5.766 1.00 0.00 C ATOM 579 CE LYS A 37 97.859 2.798 -6.310 1.00 0.00 C ATOM 580 NZ LYS A 37 96.766 2.982 -7.316 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.809 -1.034 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 37 99.844 0.246 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.648 -1.056 -4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.636 -0.395 -3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.754 1.838 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.772 1.178 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.752 0.651 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.712 1.258 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.781 3.533 -5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.839 2.930 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.826 3.937 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.868 2.276 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.843 2.861 -6.852 1.00 0.00 H new ATOM 594 N THR A 38 98.858 -2.831 -2.835 1.00 0.00 N ATOM 595 CA THR A 38 98.521 -4.038 -2.020 1.00 0.00 C ATOM 596 C THR A 38 98.870 -5.316 -2.788 1.00 0.00 C ATOM 597 O THR A 38 98.917 -5.332 -4.002 1.00 0.00 O ATOM 598 CB THR A 38 97.015 -3.934 -1.759 1.00 0.00 C ATOM 599 OG1 THR A 38 96.556 -5.107 -1.105 1.00 0.00 O ATOM 600 CG2 THR A 38 96.258 -3.759 -3.080 1.00 0.00 C ATOM 0 H THR A 38 98.642 -2.901 -3.829 1.00 0.00 H new ATOM 0 HA THR A 38 99.084 -4.081 -1.088 1.00 0.00 H new ATOM 0 HB THR A 38 96.831 -3.067 -1.124 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.593 -5.034 -0.939 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.189 -3.686 -2.880 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.597 -2.849 -3.576 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.449 -4.617 -3.725 1.00 0.00 H new ATOM 608 N SER A 39 99.119 -6.387 -2.081 1.00 0.00 N ATOM 609 CA SER A 39 99.471 -7.669 -2.752 1.00 0.00 C ATOM 610 C SER A 39 98.288 -8.639 -2.718 1.00 0.00 C ATOM 611 O SER A 39 97.323 -8.433 -2.010 1.00 0.00 O ATOM 612 CB SER A 39 100.640 -8.235 -1.941 1.00 0.00 C ATOM 613 OG SER A 39 100.246 -8.370 -0.582 1.00 0.00 O ATOM 0 H SER A 39 99.093 -6.427 -1.062 1.00 0.00 H new ATOM 0 HA SER A 39 99.728 -7.520 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.941 -9.203 -2.342 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.504 -7.575 -2.017 1.00 0.00 H new ATOM 0 HG SER A 39 100.991 -8.734 -0.060 1.00 0.00 H new ATOM 619 N GLU A 40 98.376 -9.711 -3.443 1.00 0.00 N ATOM 620 CA GLU A 40 97.285 -10.730 -3.427 1.00 0.00 C ATOM 621 C GLU A 40 97.718 -11.942 -2.592 1.00 0.00 C ATOM 622 O GLU A 40 96.907 -12.738 -2.164 1.00 0.00 O ATOM 623 CB GLU A 40 97.089 -11.129 -4.889 1.00 0.00 C ATOM 624 CG GLU A 40 96.484 -9.954 -5.662 1.00 0.00 C ATOM 625 CD GLU A 40 96.426 -10.283 -7.159 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.881 -11.352 -7.540 1.00 0.00 O ATOM 627 OE2 GLU A 40 95.925 -9.457 -7.903 1.00 0.00 O1- ATOM 0 H GLU A 40 99.162 -9.933 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 40 96.365 -10.347 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 40 98.044 -11.415 -5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 40 96.434 -11.998 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 40 95.482 -9.741 -5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 40 97.082 -9.057 -5.502 1.00 0.00 H new ATOM 634 N ILE A 41 98.996 -12.086 -2.360 1.00 0.00 N ATOM 635 CA ILE A 41 99.501 -13.236 -1.562 1.00 0.00 C ATOM 636 C ILE A 41 100.184 -12.722 -0.272 1.00 0.00 C ATOM 637 O ILE A 41 99.563 -12.030 0.511 1.00 0.00 O ATOM 638 CB ILE A 41 100.474 -13.964 -2.498 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.519 -12.976 -3.044 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.706 -14.578 -3.666 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.618 -13.743 -3.770 1.00 0.00 C ATOM 0 H ILE A 41 99.718 -11.447 -2.694 1.00 0.00 H new ATOM 0 HA ILE A 41 98.713 -13.911 -1.227 1.00 0.00 H new ATOM 0 HB ILE A 41 100.978 -14.751 -1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.045 -12.269 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.946 -12.395 -2.227 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.402 -15.094 -4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.972 -15.289 -3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.195 -13.790 -4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.357 -13.041 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 41 103.100 -14.432 -3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.184 -14.305 -4.597 1.00 0.00 H new ATOM 653 N ASP A 42 101.446 -13.028 -0.030 1.00 0.00 N ATOM 654 CA ASP A 42 102.102 -12.517 1.208 1.00 0.00 C ATOM 655 C ASP A 42 103.184 -11.495 0.844 1.00 0.00 C ATOM 656 O ASP A 42 103.908 -11.658 -0.118 1.00 0.00 O ATOM 657 CB ASP A 42 102.713 -13.745 1.891 1.00 0.00 C ATOM 658 CG ASP A 42 101.607 -14.647 2.444 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.472 -14.201 2.497 1.00 0.00 O ATOM 660 OD2 ASP A 42 101.915 -15.768 2.815 1.00 0.00 O1- ATOM 0 H ASP A 42 102.035 -13.602 -0.633 1.00 0.00 H new ATOM 0 HA ASP A 42 101.397 -12.011 1.867 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.323 -14.300 1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.373 -13.430 2.699 1.00 0.00 H new ATOM 665 N VAL A 43 103.290 -10.434 1.602 1.00 0.00 N ATOM 666 CA VAL A 43 104.316 -9.390 1.293 1.00 0.00 C ATOM 667 C VAL A 43 105.732 -9.974 1.362 1.00 0.00 C ATOM 668 O VAL A 43 106.557 -9.700 0.517 1.00 0.00 O ATOM 669 CB VAL A 43 104.144 -8.293 2.354 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.219 -7.217 2.153 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.761 -7.651 2.227 1.00 0.00 C ATOM 0 H VAL A 43 102.712 -10.244 2.421 1.00 0.00 H new ATOM 0 HA VAL A 43 104.181 -9.000 0.284 1.00 0.00 H new ATOM 0 HB VAL A 43 104.244 -8.738 3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.099 -6.437 2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.207 -7.667 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.116 -6.781 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.649 -6.875 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.654 -7.210 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 43 101.993 -8.411 2.371 1.00 0.00 H new ATOM 681 N PHE A 44 106.030 -10.757 2.361 1.00 0.00 N ATOM 682 CA PHE A 44 107.404 -11.331 2.461 1.00 0.00 C ATOM 683 C PHE A 44 107.708 -12.191 1.230 1.00 0.00 C ATOM 684 O PHE A 44 108.744 -12.050 0.613 1.00 0.00 O ATOM 685 CB PHE A 44 107.393 -12.197 3.721 1.00 0.00 C ATOM 686 CG PHE A 44 108.779 -12.746 3.968 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.777 -11.920 4.503 1.00 0.00 C ATOM 688 CD2 PHE A 44 109.068 -14.082 3.665 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.060 -12.430 4.734 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.351 -14.592 3.896 1.00 0.00 C ATOM 691 CZ PHE A 44 111.348 -13.767 4.431 1.00 0.00 C ATOM 0 H PHE A 44 105.389 -11.024 3.108 1.00 0.00 H new ATOM 0 HA PHE A 44 108.167 -10.554 2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.066 -11.607 4.577 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.681 -13.015 3.607 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.556 -10.889 4.737 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.300 -14.720 3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.828 -11.792 5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.572 -15.623 3.661 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.338 -14.161 4.610 1.00 0.00 H new ATOM 701 N ASP A 45 106.804 -13.047 0.839 1.00 0.00 N ATOM 702 CA ASP A 45 107.051 -13.871 -0.380 1.00 0.00 C ATOM 703 C ASP A 45 106.990 -12.959 -1.610 1.00 0.00 C ATOM 704 O ASP A 45 107.742 -13.122 -2.551 1.00 0.00 O ATOM 705 CB ASP A 45 105.924 -14.906 -0.400 1.00 0.00 C ATOM 706 CG ASP A 45 106.305 -16.108 0.476 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.438 -16.162 0.933 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.454 -16.958 0.676 1.00 0.00 O ATOM 0 H ASP A 45 105.912 -13.211 1.306 1.00 0.00 H new ATOM 0 HA ASP A 45 108.026 -14.359 -0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.000 -14.458 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.738 -15.234 -1.423 1.00 0.00 H new ATOM 713 N ARG A 46 106.117 -11.991 -1.604 1.00 0.00 N ATOM 714 CA ARG A 46 106.027 -11.059 -2.766 1.00 0.00 C ATOM 715 C ARG A 46 107.313 -10.242 -2.907 1.00 0.00 C ATOM 716 O ARG A 46 107.802 -10.041 -4.002 1.00 0.00 O ATOM 717 CB ARG A 46 104.844 -10.135 -2.473 1.00 0.00 C ATOM 718 CG ARG A 46 104.670 -9.171 -3.651 1.00 0.00 C ATOM 719 CD ARG A 46 103.494 -8.226 -3.393 1.00 0.00 C ATOM 720 NE ARG A 46 103.478 -7.307 -4.568 1.00 0.00 N ATOM 721 CZ ARG A 46 102.797 -7.619 -5.637 1.00 0.00 C ATOM 722 NH1 ARG A 46 103.358 -8.309 -6.592 1.00 0.00 N1+ ATOM 723 NH2 ARG A 46 101.558 -7.231 -5.757 1.00 0.00 N ATOM 0 H ARG A 46 105.461 -11.804 -0.846 1.00 0.00 H new ATOM 0 HA ARG A 46 105.892 -11.605 -3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 46 103.936 -10.719 -2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.018 -9.579 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.584 -8.595 -3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.499 -9.734 -4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.556 -8.775 -3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.626 -7.675 -2.462 1.00 0.00 H new ATOM 0 HE ARG A 46 104.001 -6.432 -4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 46 104.330 -8.605 -6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 46 102.824 -8.552 -7.427 1.00 0.00 H new ATOM 0 HH21 ARG A 46 101.121 -6.684 -5.016 1.00 0.00 H new ATOM 0 HH22 ARG A 46 101.026 -7.475 -6.592 1.00 0.00 H new ATOM 737 N ALA A 47 107.871 -9.767 -1.827 1.00 0.00 N ATOM 738 CA ALA A 47 109.124 -8.971 -1.938 1.00 0.00 C ATOM 739 C ALA A 47 110.279 -9.870 -2.391 1.00 0.00 C ATOM 740 O ALA A 47 111.123 -9.468 -3.162 1.00 0.00 O ATOM 741 CB ALA A 47 109.373 -8.405 -0.539 1.00 0.00 C ATOM 0 H ALA A 47 107.516 -9.895 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 47 109.044 -8.172 -2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.283 -7.806 -0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.530 -7.781 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.484 -9.225 0.171 1.00 0.00 H new ATOM 747 N MET A 48 110.307 -11.091 -1.929 1.00 0.00 N ATOM 748 CA MET A 48 111.391 -12.028 -2.347 1.00 0.00 C ATOM 749 C MET A 48 111.316 -12.279 -3.854 1.00 0.00 C ATOM 750 O MET A 48 112.315 -12.226 -4.545 1.00 0.00 O ATOM 751 CB MET A 48 111.117 -13.315 -1.568 1.00 0.00 C ATOM 752 CG MET A 48 112.187 -14.358 -1.896 1.00 0.00 C ATOM 753 SD MET A 48 111.905 -15.840 -0.897 1.00 0.00 S ATOM 754 CE MET A 48 110.405 -16.404 -1.739 1.00 0.00 C ATOM 0 H MET A 48 109.625 -11.481 -1.279 1.00 0.00 H new ATOM 0 HA MET A 48 112.387 -11.634 -2.143 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.113 -13.109 -0.498 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.130 -13.701 -1.822 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.154 -14.609 -2.956 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.179 -13.953 -1.695 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.456 -17.482 -1.890 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.534 -16.164 -1.130 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.321 -15.906 -2.705 1.00 0.00 H new ATOM 764 N ASP A 49 110.148 -12.536 -4.379 1.00 0.00 N ATOM 765 CA ASP A 49 110.043 -12.766 -5.848 1.00 0.00 C ATOM 766 C ASP A 49 110.432 -11.488 -6.593 1.00 0.00 C ATOM 767 O ASP A 49 111.146 -11.522 -7.570 1.00 0.00 O ATOM 768 CB ASP A 49 108.582 -13.144 -6.107 1.00 0.00 C ATOM 769 CG ASP A 49 108.416 -13.614 -7.558 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.422 -13.833 -8.216 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.283 -13.747 -7.987 1.00 0.00 O ATOM 0 H ASP A 49 109.271 -12.596 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 49 110.710 -13.554 -6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.274 -13.934 -5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 49 107.936 -12.287 -5.916 1.00 0.00 H new ATOM 776 N VAL A 50 109.985 -10.358 -6.118 1.00 0.00 N ATOM 777 CA VAL A 50 110.342 -9.065 -6.774 1.00 0.00 C ATOM 778 C VAL A 50 111.844 -8.791 -6.629 1.00 0.00 C ATOM 779 O VAL A 50 112.487 -8.368 -7.573 1.00 0.00 O ATOM 780 CB VAL A 50 109.502 -8.000 -6.058 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.932 -6.601 -6.512 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.025 -8.208 -6.405 1.00 0.00 C ATOM 0 H VAL A 50 109.384 -10.273 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 50 110.136 -9.073 -7.844 1.00 0.00 H new ATOM 0 HB VAL A 50 109.650 -8.090 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.330 -5.851 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 50 110.984 -6.448 -6.272 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.788 -6.507 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.423 -7.454 -5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.888 -8.118 -7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.711 -9.200 -6.081 1.00 0.00 H new ATOM 792 N PHE A 51 112.412 -9.018 -5.478 1.00 0.00 N ATOM 793 CA PHE A 51 113.871 -8.758 -5.325 1.00 0.00 C ATOM 794 C PHE A 51 114.635 -9.615 -6.336 1.00 0.00 C ATOM 795 O PHE A 51 115.510 -9.131 -7.028 1.00 0.00 O ATOM 796 CB PHE A 51 114.214 -9.175 -3.893 1.00 0.00 C ATOM 797 CG PHE A 51 115.639 -8.781 -3.585 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.710 -9.409 -4.238 1.00 0.00 C ATOM 799 CD2 PHE A 51 115.888 -7.771 -2.650 1.00 0.00 C ATOM 800 CE1 PHE A 51 118.021 -9.024 -3.955 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.202 -7.386 -2.369 1.00 0.00 C ATOM 802 CZ PHE A 51 118.267 -8.010 -3.023 1.00 0.00 C ATOM 0 H PHE A 51 111.937 -9.368 -4.646 1.00 0.00 H new ATOM 0 HA PHE A 51 114.136 -7.716 -5.503 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.532 -8.697 -3.190 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.089 -10.251 -3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.520 -10.190 -4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 51 115.064 -7.288 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.846 -9.509 -4.456 1.00 0.00 H new ATOM 0 HE2 PHE A 51 117.394 -6.606 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.282 -7.709 -2.809 1.00 0.00 H new ATOM 812 N HIS A 52 114.312 -10.873 -6.444 1.00 0.00 N ATOM 813 CA HIS A 52 115.022 -11.739 -7.430 1.00 0.00 C ATOM 814 C HIS A 52 114.568 -11.381 -8.853 1.00 0.00 C ATOM 815 O HIS A 52 115.351 -11.395 -9.782 1.00 0.00 O ATOM 816 CB HIS A 52 114.638 -13.171 -7.054 1.00 0.00 C ATOM 817 CG HIS A 52 115.228 -13.509 -5.708 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.101 -12.920 -4.474 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.092 -14.577 -5.524 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 115.873 -13.603 -3.542 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.449 -14.592 -4.226 1.00 0.00 N flip ATOM 0 H HIS A 52 113.590 -11.339 -5.895 1.00 0.00 H new ATOM 0 HA HIS A 52 116.104 -11.609 -7.409 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.553 -13.273 -7.024 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.003 -13.868 -7.809 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.419 -15.271 -6.284 1.00 0.00 H new ATOM 0 HE1 HIS A 52 115.983 -13.381 -2.491 1.00 0.00 H new ATOM 0 HE2 HIS A 52 117.083 -15.277 -3.815 1.00 0.00 H new ATOM 829 N ASN A 53 113.318 -11.041 -9.031 1.00 0.00 N ATOM 830 CA ASN A 53 112.835 -10.664 -10.395 1.00 0.00 C ATOM 831 C ASN A 53 113.607 -9.438 -10.884 1.00 0.00 C ATOM 832 O ASN A 53 113.995 -9.353 -12.034 1.00 0.00 O ATOM 833 CB ASN A 53 111.352 -10.333 -10.233 1.00 0.00 C ATOM 834 CG ASN A 53 110.542 -11.628 -10.171 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.037 -12.686 -10.501 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.304 -11.586 -9.757 1.00 0.00 N ATOM 0 H ASN A 53 112.613 -11.008 -8.295 1.00 0.00 H new ATOM 0 HA ASN A 53 112.984 -11.462 -11.122 1.00 0.00 H new ATOM 0 HB2 ASN A 53 111.196 -9.751 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.013 -9.719 -11.067 1.00 0.00 H new ATOM 0 HD21 ASN A 53 108.752 -12.443 -9.711 1.00 0.00 H new ATOM 0 HD22 ASN A 53 108.889 -10.696 -9.480 1.00 0.00 H new ATOM 843 N LEU A 54 113.871 -8.506 -10.010 1.00 0.00 N ATOM 844 CA LEU A 54 114.659 -7.310 -10.418 1.00 0.00 C ATOM 845 C LEU A 54 116.164 -7.644 -10.429 1.00 0.00 C ATOM 846 O LEU A 54 116.991 -6.789 -10.682 1.00 0.00 O ATOM 847 CB LEU A 54 114.345 -6.241 -9.368 1.00 0.00 C ATOM 848 CG LEU A 54 112.875 -5.830 -9.483 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.494 -4.960 -8.285 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.663 -5.032 -10.774 1.00 0.00 C ATOM 0 H LEU A 54 113.576 -8.521 -9.034 1.00 0.00 H new ATOM 0 HA LEU A 54 114.404 -6.971 -11.422 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.549 -6.626 -8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.989 -5.373 -9.513 1.00 0.00 H new ATOM 0 HG LEU A 54 112.252 -6.724 -9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.447 -4.667 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.642 -5.524 -7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.120 -4.068 -8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.616 -4.740 -10.854 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.288 -4.139 -10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.934 -5.648 -11.631 1.00 0.00 H new ATOM 862 N LYS A 55 116.525 -8.881 -10.175 1.00 0.00 N ATOM 863 CA LYS A 55 117.952 -9.271 -10.194 1.00 0.00 C ATOM 864 C LYS A 55 118.785 -8.388 -9.267 1.00 0.00 C ATOM 865 O LYS A 55 119.944 -8.132 -9.524 1.00 0.00 O ATOM 866 CB LYS A 55 118.387 -9.113 -11.649 1.00 0.00 C ATOM 867 CG LYS A 55 117.664 -10.157 -12.505 1.00 0.00 C ATOM 868 CD LYS A 55 118.147 -10.068 -13.954 1.00 0.00 C ATOM 869 CE LYS A 55 117.450 -11.144 -14.789 1.00 0.00 C ATOM 870 NZ LYS A 55 117.991 -10.975 -16.168 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.877 -9.637 -9.954 1.00 0.00 H new ATOM 0 HA LYS A 55 118.097 -10.290 -9.835 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.154 -8.109 -12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.466 -9.239 -11.734 1.00 0.00 H new ATOM 0 HG2 LYS A 55 117.851 -11.156 -12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.587 -9.994 -12.461 1.00 0.00 H new ATOM 0 HD2 LYS A 55 117.931 -9.080 -14.361 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.228 -10.202 -13.998 1.00 0.00 H new ATOM 0 HE2 LYS A 55 117.660 -12.141 -14.402 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.368 -11.017 -14.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 117.559 -11.680 -16.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 117.770 -10.019 -16.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.022 -11.108 -16.155 1.00 0.00 H new ATOM 884 N MET A 56 118.218 -7.943 -8.177 1.00 0.00 N ATOM 885 CA MET A 56 119.011 -7.106 -7.232 1.00 0.00 C ATOM 886 C MET A 56 120.146 -7.942 -6.623 1.00 0.00 C ATOM 887 O MET A 56 121.066 -7.407 -6.037 1.00 0.00 O ATOM 888 CB MET A 56 118.027 -6.647 -6.157 1.00 0.00 C ATOM 889 CG MET A 56 117.131 -5.546 -6.716 1.00 0.00 C ATOM 890 SD MET A 56 115.860 -5.140 -5.491 1.00 0.00 S ATOM 891 CE MET A 56 116.972 -4.494 -4.217 1.00 0.00 C ATOM 0 H MET A 56 117.252 -8.120 -7.903 1.00 0.00 H new ATOM 0 HA MET A 56 119.474 -6.252 -7.726 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.420 -7.488 -5.823 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.570 -6.280 -5.286 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.723 -4.662 -6.951 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.666 -5.875 -7.646 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.420 -3.825 -3.557 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.380 -5.321 -3.636 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.787 -3.946 -4.689 1.00 0.00 H new ATOM 901 N ASP A 57 120.116 -9.242 -6.786 1.00 0.00 N ATOM 902 CA ASP A 57 121.223 -10.073 -6.249 1.00 0.00 C ATOM 903 C ASP A 57 122.463 -9.955 -7.164 1.00 0.00 C ATOM 904 O ASP A 57 123.501 -10.517 -6.878 1.00 0.00 O ATOM 905 CB ASP A 57 120.680 -11.501 -6.237 1.00 0.00 C ATOM 906 CG ASP A 57 121.586 -12.382 -5.378 1.00 0.00 C ATOM 907 OD1 ASP A 57 122.112 -11.879 -4.399 1.00 0.00 O1- ATOM 908 OD2 ASP A 57 121.735 -13.546 -5.710 1.00 0.00 O ATOM 0 H ASP A 57 119.376 -9.755 -7.265 1.00 0.00 H new ATOM 0 HA ASP A 57 121.537 -9.759 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 57 119.664 -11.512 -5.843 1.00 0.00 H new ATOM 0 HB3 ASP A 57 120.632 -11.892 -7.253 1.00 0.00 H new ATOM 913 N ASN A 58 122.368 -9.214 -8.249 1.00 0.00 N ATOM 914 CA ASN A 58 123.531 -9.037 -9.155 1.00 0.00 C ATOM 915 C ASN A 58 124.532 -8.068 -8.527 1.00 0.00 C ATOM 916 O ASN A 58 124.796 -7.005 -9.054 1.00 0.00 O ATOM 917 CB ASN A 58 122.940 -8.424 -10.427 1.00 0.00 C ATOM 918 CG ASN A 58 123.982 -8.480 -11.546 1.00 0.00 C ATOM 919 OD1 ASN A 58 124.872 -9.306 -11.519 1.00 0.00 O ATOM 920 ND2 ASN A 58 123.909 -7.635 -12.538 1.00 0.00 N ATOM 0 H ASN A 58 121.522 -8.724 -8.539 1.00 0.00 H new ATOM 0 HA ASN A 58 124.056 -9.972 -9.349 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.042 -8.967 -10.723 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.642 -7.392 -10.243 1.00 0.00 H new ATOM 0 HD21 ASN A 58 124.599 -7.669 -13.289 1.00 0.00 H new ATOM 0 HD22 ASN A 58 123.162 -6.941 -12.563 1.00 0.00 H new ATOM 927 N THR A 59 125.109 -8.434 -7.415 1.00 0.00 N ATOM 928 CA THR A 59 126.114 -7.542 -6.770 1.00 0.00 C ATOM 929 C THR A 59 127.324 -8.376 -6.335 1.00 0.00 C ATOM 930 O THR A 59 127.214 -9.549 -6.038 1.00 0.00 O ATOM 931 CB THR A 59 125.401 -6.920 -5.569 1.00 0.00 C ATOM 932 OG1 THR A 59 125.096 -7.938 -4.633 1.00 0.00 O ATOM 933 CG2 THR A 59 124.107 -6.246 -6.029 1.00 0.00 C ATOM 0 H THR A 59 124.928 -9.311 -6.926 1.00 0.00 H new ATOM 0 HA THR A 59 126.484 -6.767 -7.441 1.00 0.00 H new ATOM 0 HB THR A 59 126.048 -6.175 -5.106 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.504 -7.578 -3.940 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.602 -5.804 -5.170 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.341 -5.466 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.455 -6.987 -6.491 1.00 0.00 H new ATOM 941 N LYS A 60 128.481 -7.775 -6.329 1.00 0.00 N ATOM 942 CA LYS A 60 129.724 -8.513 -5.957 1.00 0.00 C ATOM 943 C LYS A 60 129.702 -9.015 -4.508 1.00 0.00 C ATOM 944 O LYS A 60 130.118 -10.123 -4.227 1.00 0.00 O ATOM 945 CB LYS A 60 130.853 -7.501 -6.148 1.00 0.00 C ATOM 946 CG LYS A 60 131.016 -7.187 -7.636 1.00 0.00 C ATOM 947 CD LYS A 60 132.131 -6.157 -7.823 1.00 0.00 C ATOM 948 CE LYS A 60 132.307 -5.863 -9.314 1.00 0.00 C ATOM 949 NZ LYS A 60 133.411 -4.867 -9.383 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.621 -6.793 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 60 129.841 -9.406 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.633 -6.588 -5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 60 131.784 -7.900 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 60 131.252 -8.098 -8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 60 130.080 -6.803 -8.042 1.00 0.00 H new ATOM 0 HD2 LYS A 60 131.888 -5.240 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.063 -6.534 -7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 60 132.557 -6.768 -9.868 1.00 0.00 H new ATOM 0 HE3 LYS A 60 131.390 -5.466 -9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 133.478 -4.489 -10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 133.219 -4.089 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 134.309 -5.326 -9.128 1.00 0.00 H new ATOM 963 N LEU A 61 129.237 -8.220 -3.581 1.00 0.00 N ATOM 964 CA LEU A 61 129.217 -8.681 -2.160 1.00 0.00 C ATOM 965 C LEU A 61 127.828 -9.179 -1.744 1.00 0.00 C ATOM 966 O LEU A 61 127.633 -9.577 -0.615 1.00 0.00 O ATOM 967 CB LEU A 61 129.604 -7.459 -1.325 1.00 0.00 C ATOM 968 CG LEU A 61 130.999 -6.971 -1.716 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.292 -5.650 -0.997 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.044 -8.012 -1.305 1.00 0.00 C ATOM 0 H LEU A 61 128.873 -7.281 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 61 129.901 -9.518 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 61 128.877 -6.661 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.584 -7.713 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 61 131.041 -6.822 -2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.286 -5.298 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.550 -4.906 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.248 -5.805 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.037 -7.661 -1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.003 -8.162 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.837 -8.955 -1.811 1.00 0.00 H new ATOM 982 N GLN A 62 126.864 -9.150 -2.635 1.00 0.00 N ATOM 983 CA GLN A 62 125.490 -9.623 -2.293 1.00 0.00 C ATOM 984 C GLN A 62 124.914 -8.832 -1.117 1.00 0.00 C ATOM 985 O GLN A 62 124.370 -9.369 -0.176 1.00 0.00 O ATOM 986 CB GLN A 62 125.629 -11.110 -1.939 1.00 0.00 C ATOM 987 CG GLN A 62 126.061 -11.886 -3.183 1.00 0.00 C ATOM 988 CD GLN A 62 126.298 -13.353 -2.825 1.00 0.00 C ATOM 989 OE1 GLN A 62 126.041 -13.772 -1.714 1.00 0.00 O ATOM 990 NE2 GLN A 62 126.787 -14.157 -3.729 1.00 0.00 N ATOM 0 H GLN A 62 126.975 -8.815 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 62 124.803 -9.477 -3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.362 -11.239 -1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.681 -11.497 -1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.294 -11.810 -3.954 1.00 0.00 H new ATOM 0 HG3 GLN A 62 126.972 -11.452 -3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 62 127.003 -13.805 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 62 126.954 -15.138 -3.503 1.00 0.00 H new ATOM 999 N ASN A 63 125.052 -7.535 -1.202 1.00 0.00 N ATOM 1000 CA ASN A 63 124.536 -6.613 -0.156 1.00 0.00 C ATOM 1001 C ASN A 63 123.513 -5.646 -0.755 1.00 0.00 C ATOM 1002 O ASN A 63 123.584 -4.450 -0.556 1.00 0.00 O ATOM 1003 CB ASN A 63 125.753 -5.835 0.349 1.00 0.00 C ATOM 1004 CG ASN A 63 126.627 -6.739 1.216 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.175 -7.755 1.705 1.00 0.00 O ATOM 1006 ND2 ASN A 63 127.870 -6.408 1.429 1.00 0.00 N ATOM 0 H ASN A 63 125.516 -7.066 -1.979 1.00 0.00 H new ATOM 0 HA ASN A 63 124.039 -7.159 0.646 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.330 -5.458 -0.495 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.428 -4.969 0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.464 -7.002 2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.248 -5.555 1.018 1.00 0.00 H new ATOM 1013 N GLY A 64 122.542 -6.159 -1.457 1.00 0.00 N ATOM 1014 CA GLY A 64 121.491 -5.277 -2.035 1.00 0.00 C ATOM 1015 C GLY A 64 120.275 -5.308 -1.106 1.00 0.00 C ATOM 1016 O GLY A 64 119.948 -6.334 -0.541 1.00 0.00 O ATOM 0 H GLY A 64 122.431 -7.153 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 64 121.864 -4.258 -2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.215 -5.618 -3.033 1.00 0.00 H new ATOM 1020 N VAL A 65 119.606 -4.200 -0.929 1.00 0.00 N ATOM 1021 CA VAL A 65 118.420 -4.198 -0.021 1.00 0.00 C ATOM 1022 C VAL A 65 117.199 -3.628 -0.741 1.00 0.00 C ATOM 1023 O VAL A 65 117.268 -2.608 -1.398 1.00 0.00 O ATOM 1024 CB VAL A 65 118.822 -3.312 1.169 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.608 -3.020 2.064 1.00 0.00 C ATOM 1026 CG2 VAL A 65 119.882 -4.039 1.982 1.00 0.00 C ATOM 0 H VAL A 65 119.825 -3.306 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 65 118.148 -5.203 0.302 1.00 0.00 H new ATOM 0 HB VAL A 65 119.211 -2.365 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 65 117.915 -2.392 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 65 116.844 -2.504 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.203 -3.958 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.177 -3.421 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.478 -4.984 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.752 -4.233 1.355 1.00 0.00 H new ATOM 1036 N LEU A 66 116.081 -4.276 -0.604 1.00 0.00 N ATOM 1037 CA LEU A 66 114.856 -3.773 -1.260 1.00 0.00 C ATOM 1038 C LEU A 66 113.809 -3.408 -0.207 1.00 0.00 C ATOM 1039 O LEU A 66 113.444 -4.218 0.624 1.00 0.00 O ATOM 1040 CB LEU A 66 114.369 -4.951 -2.104 1.00 0.00 C ATOM 1041 CG LEU A 66 113.166 -4.518 -2.942 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.546 -3.319 -3.818 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.732 -5.681 -3.838 1.00 0.00 C ATOM 0 H LEU A 66 115.966 -5.134 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 66 115.035 -2.878 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.171 -5.302 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.094 -5.785 -1.458 1.00 0.00 H new ATOM 0 HG LEU A 66 112.348 -4.234 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.684 -3.015 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.860 -2.490 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.365 -3.598 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.874 -5.378 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.555 -5.960 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.458 -6.535 -3.219 1.00 0.00 H new ATOM 1055 N ILE A 67 113.321 -2.199 -0.239 1.00 0.00 N ATOM 1056 CA ILE A 67 112.294 -1.808 0.770 1.00 0.00 C ATOM 1057 C ILE A 67 110.912 -1.818 0.123 1.00 0.00 C ATOM 1058 O ILE A 67 110.540 -0.912 -0.594 1.00 0.00 O ATOM 1059 CB ILE A 67 112.683 -0.409 1.245 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.047 -0.473 1.929 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.647 0.110 2.243 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.537 0.945 2.219 1.00 0.00 C ATOM 0 H ILE A 67 113.582 -1.475 -0.908 1.00 0.00 H new ATOM 0 HA ILE A 67 112.254 -2.499 1.612 1.00 0.00 H new ATOM 0 HB ILE A 67 112.725 0.262 0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 67 113.975 -1.041 2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.762 -0.993 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 67 111.931 1.108 2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.669 0.153 1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.601 -0.560 3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.511 0.901 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.625 1.498 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.826 1.449 2.873 1.00 0.00 H new ATOM 1074 N TYR A 68 110.148 -2.844 0.369 1.00 0.00 N ATOM 1075 CA TYR A 68 108.796 -2.919 -0.240 1.00 0.00 C ATOM 1076 C TYR A 68 107.777 -2.233 0.663 1.00 0.00 C ATOM 1077 O TYR A 68 107.646 -2.545 1.830 1.00 0.00 O ATOM 1078 CB TYR A 68 108.495 -4.413 -0.347 1.00 0.00 C ATOM 1079 CG TYR A 68 107.117 -4.612 -0.931 1.00 0.00 C ATOM 1080 CD1 TYR A 68 105.988 -4.480 -0.114 1.00 0.00 C ATOM 1081 CD2 TYR A 68 106.969 -4.927 -2.286 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.709 -4.663 -0.653 1.00 0.00 C ATOM 1083 CE2 TYR A 68 105.689 -5.111 -2.826 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.559 -4.980 -2.008 1.00 0.00 C ATOM 1085 OH TYR A 68 103.299 -5.164 -2.540 1.00 0.00 O ATOM 0 H TYR A 68 110.402 -3.632 0.965 1.00 0.00 H new ATOM 0 HA TYR A 68 108.749 -2.423 -1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.241 -4.900 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.554 -4.878 0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.104 -4.237 0.932 1.00 0.00 H new ATOM 0 HD2 TYR A 68 107.841 -5.028 -2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.838 -4.560 -0.023 1.00 0.00 H new ATOM 0 HE2 TYR A 68 105.574 -5.354 -3.872 1.00 0.00 H new ATOM 0 HH TYR A 68 103.310 -4.935 -3.493 1.00 0.00 H new ATOM 1095 N VAL A 69 107.073 -1.286 0.129 1.00 0.00 N ATOM 1096 CA VAL A 69 106.074 -0.549 0.940 1.00 0.00 C ATOM 1097 C VAL A 69 104.674 -0.721 0.346 1.00 0.00 C ATOM 1098 O VAL A 69 104.450 -0.538 -0.835 1.00 0.00 O ATOM 1099 CB VAL A 69 106.530 0.914 0.870 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.470 1.826 1.497 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.849 1.073 1.630 1.00 0.00 C ATOM 0 H VAL A 69 107.146 -0.987 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 69 106.015 -0.910 1.967 1.00 0.00 H new ATOM 0 HB VAL A 69 106.670 1.194 -0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.803 2.862 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.530 1.718 0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.321 1.547 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.174 2.112 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.705 0.786 2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.608 0.434 1.179 1.00 0.00 H new ATOM 1111 N ALA A 70 103.731 -1.047 1.185 1.00 0.00 N ATOM 1112 CA ALA A 70 102.325 -1.213 0.736 1.00 0.00 C ATOM 1113 C ALA A 70 101.538 0.032 1.140 1.00 0.00 C ATOM 1114 O ALA A 70 100.956 0.090 2.202 1.00 0.00 O ATOM 1115 CB ALA A 70 101.822 -2.436 1.502 1.00 0.00 C ATOM 0 H ALA A 70 103.881 -1.208 2.181 1.00 0.00 H new ATOM 0 HA ALA A 70 102.222 -1.341 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.785 -2.634 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.435 -3.301 1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.887 -2.246 2.573 1.00 0.00 H new ATOM 1121 N VAL A 71 101.541 1.038 0.317 1.00 0.00 N ATOM 1122 CA VAL A 71 100.818 2.289 0.674 1.00 0.00 C ATOM 1123 C VAL A 71 99.326 2.019 0.872 1.00 0.00 C ATOM 1124 O VAL A 71 98.637 2.770 1.535 1.00 0.00 O ATOM 1125 CB VAL A 71 101.045 3.230 -0.501 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.541 3.503 -0.650 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.508 2.594 -1.787 1.00 0.00 C ATOM 0 H VAL A 71 102.012 1.050 -0.588 1.00 0.00 H new ATOM 0 HA VAL A 71 101.180 2.713 1.611 1.00 0.00 H new ATOM 0 HB VAL A 71 100.519 4.167 -0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.706 4.177 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.920 3.963 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 71 103.066 2.565 -0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.673 3.272 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 71 101.028 1.654 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.440 2.403 -1.680 1.00 0.00 H new ATOM 1137 N GLU A 72 98.823 0.946 0.331 1.00 0.00 N ATOM 1138 CA GLU A 72 97.382 0.632 0.525 1.00 0.00 C ATOM 1139 C GLU A 72 97.153 0.205 1.980 1.00 0.00 C ATOM 1140 O GLU A 72 96.228 0.655 2.627 1.00 0.00 O ATOM 1141 CB GLU A 72 97.112 -0.520 -0.438 1.00 0.00 C ATOM 1142 CG GLU A 72 95.620 -0.856 -0.429 1.00 0.00 C ATOM 1143 CD GLU A 72 94.816 0.297 -1.035 1.00 0.00 C ATOM 1144 OE1 GLU A 72 95.424 1.221 -1.556 1.00 0.00 O ATOM 1145 OE2 GLU A 72 93.600 0.233 -0.974 1.00 0.00 O1- ATOM 0 H GLU A 72 99.344 0.276 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 72 96.722 1.478 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.428 -0.247 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 72 97.694 -1.395 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 72 95.442 -1.770 -0.995 1.00 0.00 H new ATOM 0 HG3 GLU A 72 95.288 -1.044 0.592 1.00 0.00 H new ATOM 1152 N ASP A 73 97.994 -0.646 2.508 1.00 0.00 N ATOM 1153 CA ASP A 73 97.826 -1.076 3.930 1.00 0.00 C ATOM 1154 C ASP A 73 98.802 -0.310 4.851 1.00 0.00 C ATOM 1155 O ASP A 73 98.898 -0.588 6.032 1.00 0.00 O ATOM 1156 CB ASP A 73 98.154 -2.569 3.926 1.00 0.00 C ATOM 1157 CG ASP A 73 97.134 -3.317 3.065 1.00 0.00 C ATOM 1158 OD1 ASP A 73 96.061 -2.779 2.849 1.00 0.00 O ATOM 1159 OD2 ASP A 73 97.446 -4.416 2.635 1.00 0.00 O1- ATOM 0 H ASP A 73 98.787 -1.061 2.019 1.00 0.00 H new ATOM 0 HA ASP A 73 96.823 -0.874 4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.160 -2.729 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.140 -2.957 4.944 1.00 0.00 H new ATOM 1164 N LYS A 74 99.522 0.651 4.320 1.00 0.00 N ATOM 1165 CA LYS A 74 100.487 1.436 5.139 1.00 0.00 C ATOM 1166 C LYS A 74 101.485 0.521 5.858 1.00 0.00 C ATOM 1167 O LYS A 74 101.752 0.681 7.032 1.00 0.00 O ATOM 1168 CB LYS A 74 99.643 2.234 6.134 1.00 0.00 C ATOM 1169 CG LYS A 74 100.237 3.638 6.280 1.00 0.00 C ATOM 1170 CD LYS A 74 99.316 4.512 7.136 1.00 0.00 C ATOM 1171 CE LYS A 74 99.895 5.927 7.222 1.00 0.00 C ATOM 1172 NZ LYS A 74 98.899 6.706 8.010 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.477 0.925 3.338 1.00 0.00 H new ATOM 0 HA LYS A 74 101.089 2.096 4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.611 2.296 5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.625 1.731 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.224 3.578 6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.369 4.090 5.297 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.317 4.542 6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.217 4.086 8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 74 100.870 5.925 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.036 6.356 6.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.227 7.688 8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 97.983 6.696 7.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 98.791 6.279 8.952 1.00 0.00 H new ATOM 1186 N THR A 75 102.047 -0.428 5.157 1.00 0.00 N ATOM 1187 CA THR A 75 103.044 -1.340 5.794 1.00 0.00 C ATOM 1188 C THR A 75 104.350 -1.331 4.988 1.00 0.00 C ATOM 1189 O THR A 75 104.368 -0.990 3.822 1.00 0.00 O ATOM 1190 CB THR A 75 102.393 -2.726 5.764 1.00 0.00 C ATOM 1191 OG1 THR A 75 102.139 -3.104 4.419 1.00 0.00 O ATOM 1192 CG2 THR A 75 101.079 -2.691 6.546 1.00 0.00 C ATOM 0 H THR A 75 101.859 -0.612 4.171 1.00 0.00 H new ATOM 0 HA THR A 75 103.297 -1.038 6.810 1.00 0.00 H new ATOM 0 HB THR A 75 103.066 -3.452 6.221 1.00 0.00 H new ATOM 0 HG1 THR A 75 101.724 -3.992 4.401 1.00 0.00 H new ATOM 0 HG21 THR A 75 100.616 -3.678 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 75 101.278 -2.406 7.579 1.00 0.00 H new ATOM 0 HG23 THR A 75 100.405 -1.964 6.093 1.00 0.00 H new ATOM 1200 N PHE A 76 105.447 -1.694 5.602 1.00 0.00 N ATOM 1201 CA PHE A 76 106.757 -1.698 4.883 1.00 0.00 C ATOM 1202 C PHE A 76 107.558 -2.960 5.250 1.00 0.00 C ATOM 1203 O PHE A 76 107.495 -3.441 6.363 1.00 0.00 O ATOM 1204 CB PHE A 76 107.475 -0.432 5.386 1.00 0.00 C ATOM 1205 CG PHE A 76 107.807 -0.559 6.860 1.00 0.00 C ATOM 1206 CD1 PHE A 76 109.023 -1.137 7.248 1.00 0.00 C ATOM 1207 CD2 PHE A 76 106.904 -0.110 7.827 1.00 0.00 C ATOM 1208 CE1 PHE A 76 109.335 -1.262 8.605 1.00 0.00 C ATOM 1209 CE2 PHE A 76 107.216 -0.235 9.186 1.00 0.00 C ATOM 1210 CZ PHE A 76 108.432 -0.812 9.574 1.00 0.00 C ATOM 0 H PHE A 76 105.492 -1.990 6.577 1.00 0.00 H new ATOM 0 HA PHE A 76 106.643 -1.703 3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.389 -0.274 4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.842 0.441 5.224 1.00 0.00 H new ATOM 0 HD1 PHE A 76 109.719 -1.486 6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 76 105.966 0.333 7.526 1.00 0.00 H new ATOM 0 HE1 PHE A 76 110.273 -1.706 8.905 1.00 0.00 H new ATOM 0 HE2 PHE A 76 106.520 0.113 9.935 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.673 -0.910 10.622 1.00 0.00 H new ATOM 1220 N VAL A 77 108.312 -3.492 4.327 1.00 0.00 N ATOM 1221 CA VAL A 77 109.116 -4.716 4.625 1.00 0.00 C ATOM 1222 C VAL A 77 110.557 -4.521 4.128 1.00 0.00 C ATOM 1223 O VAL A 77 110.768 -4.049 3.028 1.00 0.00 O ATOM 1224 CB VAL A 77 108.403 -5.821 3.839 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.237 -7.106 3.851 1.00 0.00 C ATOM 1226 CG2 VAL A 77 107.041 -6.092 4.481 1.00 0.00 C ATOM 0 H VAL A 77 108.407 -3.133 3.377 1.00 0.00 H new ATOM 0 HA VAL A 77 109.183 -4.947 5.688 1.00 0.00 H new ATOM 0 HB VAL A 77 108.272 -5.497 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.718 -7.882 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.208 -6.914 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.380 -7.437 4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.527 -6.878 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.182 -6.410 5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.441 -5.182 4.460 1.00 0.00 H new ATOM 1236 N ILE A 78 111.554 -4.892 4.900 1.00 0.00 N ATOM 1237 CA ILE A 78 112.956 -4.724 4.407 1.00 0.00 C ATOM 1238 C ILE A 78 113.613 -6.091 4.184 1.00 0.00 C ATOM 1239 O ILE A 78 113.619 -6.948 5.045 1.00 0.00 O ATOM 1240 CB ILE A 78 113.698 -3.943 5.493 1.00 0.00 C ATOM 1241 CG1 ILE A 78 113.021 -2.593 5.713 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.143 -3.705 5.039 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.590 -1.947 6.978 1.00 0.00 C ATOM 0 H ILE A 78 111.459 -5.296 5.832 1.00 0.00 H new ATOM 0 HA ILE A 78 112.981 -4.197 3.453 1.00 0.00 H new ATOM 0 HB ILE A 78 113.683 -4.513 6.422 1.00 0.00 H new ATOM 0 HG12 ILE A 78 113.187 -1.945 4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.943 -2.724 5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.679 -3.149 5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.635 -4.664 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 78 115.143 -3.133 4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 78 113.110 -0.982 7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.401 -2.595 7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.664 -1.803 6.862 1.00 0.00 H new ATOM 1255 N TYR A 79 114.157 -6.291 3.020 1.00 0.00 N ATOM 1256 CA TYR A 79 114.821 -7.587 2.695 1.00 0.00 C ATOM 1257 C TYR A 79 116.214 -7.330 2.110 1.00 0.00 C ATOM 1258 O TYR A 79 116.361 -6.734 1.063 1.00 0.00 O ATOM 1259 CB TYR A 79 113.898 -8.241 1.663 1.00 0.00 C ATOM 1260 CG TYR A 79 114.468 -9.569 1.214 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.582 -10.634 2.117 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.883 -9.734 -0.112 1.00 0.00 C ATOM 1263 CE1 TYR A 79 115.111 -11.861 1.691 1.00 0.00 C ATOM 1264 CE2 TYR A 79 115.410 -10.958 -0.538 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.524 -12.020 0.363 1.00 0.00 C ATOM 1266 OH TYR A 79 116.045 -13.227 -0.059 1.00 0.00 O ATOM 0 H TYR A 79 114.172 -5.603 2.267 1.00 0.00 H new ATOM 0 HA TYR A 79 114.966 -8.222 3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.908 -8.390 2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.776 -7.581 0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.263 -10.510 3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.796 -8.914 -0.809 1.00 0.00 H new ATOM 0 HE1 TYR A 79 115.200 -12.682 2.387 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.728 -11.082 -1.562 1.00 0.00 H new ATOM 0 HH TYR A 79 115.647 -13.955 0.462 1.00 0.00 H new ATOM 1276 N GLY A 80 117.242 -7.767 2.794 1.00 0.00 N ATOM 1277 CA GLY A 80 118.627 -7.547 2.296 1.00 0.00 C ATOM 1278 C GLY A 80 119.156 -8.853 1.708 1.00 0.00 C ATOM 1279 O GLY A 80 118.588 -9.909 1.905 1.00 0.00 O ATOM 0 H GLY A 80 117.177 -8.269 3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.635 -6.763 1.539 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.271 -7.212 3.109 1.00 0.00 H new ATOM 1283 N ASP A 81 120.236 -8.788 0.981 1.00 0.00 N ATOM 1284 CA ASP A 81 120.794 -10.031 0.372 1.00 0.00 C ATOM 1285 C ASP A 81 121.525 -10.868 1.428 1.00 0.00 C ATOM 1286 O ASP A 81 121.660 -10.470 2.567 1.00 0.00 O ATOM 1287 CB ASP A 81 121.762 -9.555 -0.710 1.00 0.00 C ATOM 1288 CG ASP A 81 121.004 -9.314 -2.012 1.00 0.00 C ATOM 1289 OD1 ASP A 81 119.946 -9.898 -2.165 1.00 0.00 O ATOM 1290 OD2 ASP A 81 121.501 -8.565 -2.839 1.00 0.00 O1- ATOM 0 H ASP A 81 120.756 -7.933 0.782 1.00 0.00 H new ATOM 0 HA ASP A 81 120.011 -10.667 -0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 81 122.256 -8.637 -0.391 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.543 -10.300 -0.865 1.00 0.00 H new ATOM 1295 N LYS A 82 121.988 -12.030 1.053 1.00 0.00 N ATOM 1296 CA LYS A 82 122.701 -12.909 2.027 1.00 0.00 C ATOM 1297 C LYS A 82 123.955 -12.206 2.561 1.00 0.00 C ATOM 1298 O LYS A 82 124.430 -12.497 3.639 1.00 0.00 O ATOM 1299 CB LYS A 82 123.081 -14.164 1.231 1.00 0.00 C ATOM 1300 CG LYS A 82 123.613 -15.240 2.181 1.00 0.00 C ATOM 1301 CD LYS A 82 123.912 -16.519 1.393 1.00 0.00 C ATOM 1302 CE LYS A 82 124.430 -17.612 2.338 1.00 0.00 C ATOM 1303 NZ LYS A 82 124.660 -18.798 1.467 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.903 -12.411 0.110 1.00 0.00 H new ATOM 0 HA LYS A 82 122.083 -13.150 2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 82 122.212 -14.540 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.837 -13.918 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 82 124.517 -14.887 2.677 1.00 0.00 H new ATOM 0 HG3 LYS A 82 122.880 -15.445 2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 82 123.010 -16.863 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 82 124.653 -16.314 0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 82 125.350 -17.302 2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 82 123.705 -17.832 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 125.016 -19.588 2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 123.766 -19.075 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 125.360 -18.561 0.735 1.00 0.00 H new ATOM 1317 N GLY A 83 124.502 -11.294 1.802 1.00 0.00 N ATOM 1318 CA GLY A 83 125.736 -10.587 2.253 1.00 0.00 C ATOM 1319 C GLY A 83 125.446 -9.734 3.489 1.00 0.00 C ATOM 1320 O GLY A 83 126.100 -9.880 4.509 1.00 0.00 O ATOM 0 H GLY A 83 124.148 -11.008 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.516 -11.314 2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 83 126.114 -9.955 1.449 1.00 0.00 H new ATOM 1324 N ILE A 84 124.464 -8.868 3.436 1.00 0.00 N ATOM 1325 CA ILE A 84 124.157 -8.055 4.644 1.00 0.00 C ATOM 1326 C ILE A 84 123.695 -9.014 5.736 1.00 0.00 C ATOM 1327 O ILE A 84 124.081 -8.907 6.871 1.00 0.00 O ATOM 1328 CB ILE A 84 123.036 -7.109 4.216 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.587 -6.091 3.213 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.479 -6.373 5.433 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.427 -5.388 2.522 1.00 0.00 C ATOM 0 H ILE A 84 123.874 -8.693 2.623 1.00 0.00 H new ATOM 0 HA ILE A 84 125.005 -7.487 5.028 1.00 0.00 H new ATOM 0 HB ILE A 84 122.237 -7.688 3.753 1.00 0.00 H new ATOM 0 HG12 ILE A 84 124.216 -5.363 3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.215 -6.592 2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.681 -5.701 5.118 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.084 -7.096 6.146 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.274 -5.796 5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.815 -4.662 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.816 -6.123 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.818 -4.874 3.266 1.00 0.00 H new ATOM 1343 N ASN A 85 122.847 -9.937 5.403 1.00 0.00 N ATOM 1344 CA ASN A 85 122.328 -10.875 6.437 1.00 0.00 C ATOM 1345 C ASN A 85 123.458 -11.706 7.051 1.00 0.00 C ATOM 1346 O ASN A 85 123.456 -11.981 8.235 1.00 0.00 O ATOM 1347 CB ASN A 85 121.333 -11.765 5.692 1.00 0.00 C ATOM 1348 CG ASN A 85 119.988 -11.044 5.578 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.530 -10.753 4.490 1.00 0.00 O ATOM 1350 ND2 ASN A 85 119.328 -10.744 6.663 1.00 0.00 N ATOM 0 H ASN A 85 122.488 -10.086 4.460 1.00 0.00 H new ATOM 0 HA ASN A 85 121.863 -10.347 7.270 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.715 -12.004 4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 85 121.207 -12.710 6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 85 118.429 -10.266 6.598 1.00 0.00 H new ATOM 0 HD22 ASN A 85 119.711 -10.987 7.577 1.00 0.00 H new ATOM 1357 N ASP A 86 124.421 -12.113 6.272 1.00 0.00 N ATOM 1358 CA ASP A 86 125.537 -12.926 6.834 1.00 0.00 C ATOM 1359 C ASP A 86 126.492 -12.078 7.677 1.00 0.00 C ATOM 1360 O ASP A 86 127.243 -12.601 8.479 1.00 0.00 O ATOM 1361 CB ASP A 86 126.282 -13.483 5.618 1.00 0.00 C ATOM 1362 CG ASP A 86 125.602 -14.765 5.128 1.00 0.00 C ATOM 1363 OD1 ASP A 86 124.645 -15.197 5.755 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 126.051 -15.295 4.128 1.00 0.00 O ATOM 0 H ASP A 86 124.484 -11.919 5.273 1.00 0.00 H new ATOM 0 HA ASP A 86 125.153 -13.706 7.492 1.00 0.00 H new ATOM 0 HB2 ASP A 86 126.297 -12.741 4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 86 127.320 -13.690 5.880 1.00 0.00 H new ATOM 1369 N VAL A 87 126.500 -10.780 7.496 1.00 0.00 N ATOM 1370 CA VAL A 87 127.446 -9.941 8.291 1.00 0.00 C ATOM 1371 C VAL A 87 126.739 -9.152 9.406 1.00 0.00 C ATOM 1372 O VAL A 87 127.374 -8.738 10.357 1.00 0.00 O ATOM 1373 CB VAL A 87 128.104 -8.988 7.285 1.00 0.00 C ATOM 1374 CG1 VAL A 87 127.073 -8.000 6.742 1.00 0.00 C ATOM 1375 CG2 VAL A 87 129.219 -8.216 7.988 1.00 0.00 C ATOM 0 H VAL A 87 125.903 -10.273 6.843 1.00 0.00 H new ATOM 0 HA VAL A 87 128.176 -10.570 8.800 1.00 0.00 H new ATOM 0 HB VAL A 87 128.512 -9.567 6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.552 -7.329 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 87 126.272 -8.547 6.244 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.658 -7.418 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.693 -7.536 7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.800 -7.644 8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.961 -8.917 8.370 1.00 0.00 H new ATOM 1385 N VAL A 88 125.449 -8.922 9.312 1.00 0.00 N ATOM 1386 CA VAL A 88 124.769 -8.140 10.399 1.00 0.00 C ATOM 1387 C VAL A 88 123.679 -8.967 11.097 1.00 0.00 C ATOM 1388 O VAL A 88 123.233 -9.979 10.596 1.00 0.00 O ATOM 1389 CB VAL A 88 124.154 -6.914 9.718 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.238 -6.157 8.947 1.00 0.00 C ATOM 1391 CG2 VAL A 88 123.044 -7.347 8.763 1.00 0.00 C ATOM 0 H VAL A 88 124.848 -9.233 8.549 1.00 0.00 H new ATOM 0 HA VAL A 88 125.483 -7.860 11.173 1.00 0.00 H new ATOM 0 HB VAL A 88 123.729 -6.259 10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.798 -5.285 8.463 1.00 0.00 H new ATOM 0 HG12 VAL A 88 126.018 -5.835 9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.671 -6.812 8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.613 -6.468 8.284 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.457 -8.010 8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.269 -7.873 9.321 1.00 0.00 H new ATOM 1401 N SER A 89 123.267 -8.544 12.261 1.00 0.00 N ATOM 1402 CA SER A 89 122.223 -9.301 13.018 1.00 0.00 C ATOM 1403 C SER A 89 120.854 -8.606 12.967 1.00 0.00 C ATOM 1404 O SER A 89 120.698 -7.535 12.404 1.00 0.00 O ATOM 1405 CB SER A 89 122.747 -9.362 14.453 1.00 0.00 C ATOM 1406 OG SER A 89 122.452 -8.138 15.114 1.00 0.00 O ATOM 0 H SER A 89 123.609 -7.702 12.725 1.00 0.00 H new ATOM 0 HA SER A 89 122.062 -10.290 12.588 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.288 -10.195 14.985 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.823 -9.538 14.452 1.00 0.00 H new ATOM 0 HG SER A 89 122.785 -8.175 16.035 1.00 0.00 H new ATOM 1412 N ASP A 90 119.857 -9.214 13.557 1.00 0.00 N ATOM 1413 CA ASP A 90 118.497 -8.604 13.551 1.00 0.00 C ATOM 1414 C ASP A 90 118.522 -7.278 14.315 1.00 0.00 C ATOM 1415 O ASP A 90 117.879 -6.319 13.936 1.00 0.00 O ATOM 1416 CB ASP A 90 117.601 -9.624 14.257 1.00 0.00 C ATOM 1417 CG ASP A 90 117.133 -10.676 13.248 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.181 -10.394 12.061 1.00 0.00 O ATOM 1419 OD2 ASP A 90 116.742 -11.748 13.678 1.00 0.00 O1- ATOM 0 H ASP A 90 119.928 -10.108 14.043 1.00 0.00 H new ATOM 0 HA ASP A 90 118.139 -8.386 12.545 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.147 -10.102 15.070 1.00 0.00 H new ATOM 0 HB3 ASP A 90 116.741 -9.123 14.701 1.00 0.00 H new ATOM 1424 N ASP A 91 119.277 -7.210 15.382 1.00 0.00 N ATOM 1425 CA ASP A 91 119.358 -5.938 16.157 1.00 0.00 C ATOM 1426 C ASP A 91 119.931 -4.837 15.266 1.00 0.00 C ATOM 1427 O ASP A 91 119.468 -3.714 15.272 1.00 0.00 O ATOM 1428 CB ASP A 91 120.292 -6.239 17.327 1.00 0.00 C ATOM 1429 CG ASP A 91 119.499 -6.873 18.476 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.280 -6.808 18.441 1.00 0.00 O1- ATOM 1431 OD2 ASP A 91 120.126 -7.411 19.372 1.00 0.00 O ATOM 0 H ASP A 91 119.839 -7.979 15.748 1.00 0.00 H new ATOM 0 HA ASP A 91 118.385 -5.594 16.508 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.086 -6.913 17.006 1.00 0.00 H new ATOM 0 HB3 ASP A 91 120.771 -5.321 17.667 1.00 0.00 H new ATOM 1436 N PHE A 92 120.901 -5.168 14.457 1.00 0.00 N ATOM 1437 CA PHE A 92 121.460 -4.155 13.519 1.00 0.00 C ATOM 1438 C PHE A 92 120.348 -3.719 12.556 1.00 0.00 C ATOM 1439 O PHE A 92 120.356 -2.624 12.030 1.00 0.00 O ATOM 1440 CB PHE A 92 122.613 -4.858 12.789 1.00 0.00 C ATOM 1441 CG PHE A 92 123.086 -4.026 11.613 1.00 0.00 C ATOM 1442 CD1 PHE A 92 122.469 -4.174 10.365 1.00 0.00 C ATOM 1443 CD2 PHE A 92 124.135 -3.116 11.770 1.00 0.00 C ATOM 1444 CE1 PHE A 92 122.904 -3.413 9.273 1.00 0.00 C ATOM 1445 CE2 PHE A 92 124.569 -2.358 10.674 1.00 0.00 C ATOM 1446 CZ PHE A 92 123.955 -2.506 9.429 1.00 0.00 C ATOM 0 H PHE A 92 121.329 -6.093 14.406 1.00 0.00 H new ATOM 0 HA PHE A 92 121.827 -3.257 14.017 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.440 -5.025 13.479 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.286 -5.838 12.440 1.00 0.00 H new ATOM 0 HD1 PHE A 92 121.657 -4.876 10.244 1.00 0.00 H new ATOM 0 HD2 PHE A 92 124.610 -2.997 12.733 1.00 0.00 H new ATOM 0 HE1 PHE A 92 122.427 -3.527 8.311 1.00 0.00 H new ATOM 0 HE2 PHE A 92 125.382 -1.657 10.793 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.292 -1.920 8.587 1.00 0.00 H new ATOM 1456 N TRP A 93 119.392 -4.582 12.329 1.00 0.00 N ATOM 1457 CA TRP A 93 118.272 -4.247 11.414 1.00 0.00 C ATOM 1458 C TRP A 93 117.184 -3.461 12.155 1.00 0.00 C ATOM 1459 O TRP A 93 116.426 -2.704 11.568 1.00 0.00 O ATOM 1460 CB TRP A 93 117.729 -5.609 10.986 1.00 0.00 C ATOM 1461 CG TRP A 93 118.342 -6.008 9.686 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.636 -6.358 9.506 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.706 -6.101 8.387 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.833 -6.663 8.172 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.669 -6.516 7.438 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.395 -5.869 7.947 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.338 -6.690 6.095 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.064 -6.042 6.602 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.026 -6.450 5.681 1.00 0.00 C ATOM 0 H TRP A 93 119.343 -5.512 12.745 1.00 0.00 H new ATOM 0 HA TRP A 93 118.590 -3.628 10.575 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.951 -6.356 11.748 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.644 -5.565 10.889 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.391 -6.393 10.277 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.726 -6.960 7.778 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.639 -5.555 8.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.087 -7.006 5.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.052 -5.858 6.272 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.756 -6.581 4.643 1.00 0.00 H new ATOM 1480 N ASP A 94 117.070 -3.673 13.436 1.00 0.00 N ATOM 1481 CA ASP A 94 115.995 -2.992 14.209 1.00 0.00 C ATOM 1482 C ASP A 94 116.056 -1.471 14.088 1.00 0.00 C ATOM 1483 O ASP A 94 115.021 -0.826 14.094 1.00 0.00 O ATOM 1484 CB ASP A 94 116.195 -3.408 15.668 1.00 0.00 C ATOM 1485 CG ASP A 94 114.959 -3.007 16.488 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.143 -2.249 15.980 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 114.848 -3.464 17.613 1.00 0.00 O ATOM 0 H ASP A 94 117.674 -4.288 13.981 1.00 0.00 H new ATOM 0 HA ASP A 94 115.019 -3.284 13.821 1.00 0.00 H new ATOM 0 HB2 ASP A 94 116.354 -4.484 15.732 1.00 0.00 H new ATOM 0 HB3 ASP A 94 117.086 -2.930 16.075 1.00 0.00 H new ATOM 1492 N THR A 95 117.221 -0.869 13.996 1.00 0.00 N ATOM 1493 CA THR A 95 117.246 0.622 13.896 1.00 0.00 C ATOM 1494 C THR A 95 116.584 1.047 12.582 1.00 0.00 C ATOM 1495 O THR A 95 115.906 2.051 12.496 1.00 0.00 O ATOM 1496 CB THR A 95 118.718 1.034 13.954 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.355 0.360 15.030 1.00 0.00 O ATOM 1498 CG2 THR A 95 118.816 2.545 14.165 1.00 0.00 C ATOM 0 H THR A 95 118.130 -1.332 13.986 1.00 0.00 H new ATOM 0 HA THR A 95 116.696 1.105 14.703 1.00 0.00 H new ATOM 0 HB THR A 95 119.209 0.767 13.018 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.299 0.622 15.067 1.00 0.00 H new ATOM 0 HG21 THR A 95 119.865 2.839 14.206 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.327 3.060 13.338 1.00 0.00 H new ATOM 0 HG23 THR A 95 118.326 2.814 15.101 1.00 0.00 H new ATOM 1506 N THR A 96 116.795 0.261 11.556 1.00 0.00 N ATOM 1507 CA THR A 96 116.211 0.557 10.211 1.00 0.00 C ATOM 1508 C THR A 96 114.690 0.652 10.282 1.00 0.00 C ATOM 1509 O THR A 96 114.069 1.556 9.753 1.00 0.00 O ATOM 1510 CB THR A 96 116.556 -0.690 9.388 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.915 -1.036 9.604 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.341 -0.393 7.902 1.00 0.00 C ATOM 0 H THR A 96 117.358 -0.589 11.595 1.00 0.00 H new ATOM 0 HA THR A 96 116.589 1.496 9.806 1.00 0.00 H new ATOM 0 HB THR A 96 115.915 -1.517 9.693 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.137 -1.834 9.080 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.586 -1.278 7.315 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.299 -0.122 7.732 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.985 0.433 7.599 1.00 0.00 H new ATOM 1520 N ARG A 97 114.100 -0.313 10.932 1.00 0.00 N ATOM 1521 CA ARG A 97 112.617 -0.365 11.063 1.00 0.00 C ATOM 1522 C ARG A 97 112.074 0.743 11.963 1.00 0.00 C ATOM 1523 O ARG A 97 111.022 1.291 11.691 1.00 0.00 O ATOM 1524 CB ARG A 97 112.333 -1.728 11.687 1.00 0.00 C ATOM 1525 CG ARG A 97 112.607 -2.828 10.659 1.00 0.00 C ATOM 1526 CD ARG A 97 112.357 -4.192 11.304 1.00 0.00 C ATOM 1527 NE ARG A 97 112.641 -5.187 10.235 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.242 -6.422 10.375 1.00 0.00 C ATOM 1529 NH1 ARG A 97 110.993 -6.676 10.654 1.00 0.00 N1+ ATOM 1530 NH2 ARG A 97 113.093 -7.402 10.240 1.00 0.00 N ATOM 0 H ARG A 97 114.593 -1.082 11.386 1.00 0.00 H new ATOM 0 HA ARG A 97 112.135 -0.224 10.096 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.959 -1.874 12.567 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.297 -1.778 12.021 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.962 -2.699 9.790 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.636 -2.763 10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.006 -4.345 12.166 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.330 -4.278 11.659 1.00 0.00 H new ATOM 0 HE ARG A 97 113.146 -4.905 9.395 1.00 0.00 H new ATOM 0 HH11 ARG A 97 110.329 -5.910 10.763 1.00 0.00 H new ATOM 0 HH12 ARG A 97 110.681 -7.641 10.763 1.00 0.00 H new ATOM 0 HH21 ARG A 97 114.070 -7.203 10.025 1.00 0.00 H new ATOM 0 HH22 ARG A 97 112.781 -8.367 10.349 1.00 0.00 H new ATOM 1544 N ASN A 98 112.748 1.069 13.038 1.00 0.00 N ATOM 1545 CA ASN A 98 112.203 2.134 13.929 1.00 0.00 C ATOM 1546 C ASN A 98 112.153 3.466 13.181 1.00 0.00 C ATOM 1547 O ASN A 98 111.177 4.180 13.257 1.00 0.00 O ATOM 1548 CB ASN A 98 113.143 2.215 15.131 1.00 0.00 C ATOM 1549 CG ASN A 98 112.985 0.967 15.998 1.00 0.00 C ATOM 1550 OD1 ASN A 98 112.064 0.194 15.814 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.843 0.743 16.956 1.00 0.00 N ATOM 0 H ASN A 98 113.632 0.654 13.331 1.00 0.00 H new ATOM 0 HA ASN A 98 111.186 1.908 14.251 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.175 2.305 14.792 1.00 0.00 H new ATOM 0 HB3 ASN A 98 112.922 3.107 15.718 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.741 -0.080 17.550 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.615 1.391 17.111 1.00 0.00 H new ATOM 1558 N ALA A 99 113.180 3.814 12.454 1.00 0.00 N ATOM 1559 CA ALA A 99 113.154 5.107 11.712 1.00 0.00 C ATOM 1560 C ALA A 99 112.047 5.110 10.651 1.00 0.00 C ATOM 1561 O ALA A 99 111.252 6.027 10.580 1.00 0.00 O ATOM 1562 CB ALA A 99 114.530 5.206 11.053 1.00 0.00 C ATOM 0 H ALA A 99 114.031 3.263 12.342 1.00 0.00 H new ATOM 0 HA ALA A 99 112.948 5.950 12.371 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.595 6.133 10.484 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.303 5.197 11.821 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.674 4.359 10.383 1.00 0.00 H new ATOM 1568 N ILE A 100 111.964 4.087 9.840 1.00 0.00 N ATOM 1569 CA ILE A 100 110.885 4.044 8.810 1.00 0.00 C ATOM 1570 C ILE A 100 109.513 3.900 9.490 1.00 0.00 C ATOM 1571 O ILE A 100 108.552 4.541 9.111 1.00 0.00 O ATOM 1572 CB ILE A 100 111.207 2.824 7.930 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.487 3.095 7.126 1.00 0.00 C ATOM 1574 CG2 ILE A 100 110.053 2.557 6.954 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.987 1.791 6.496 1.00 0.00 C ATOM 0 H ILE A 100 112.593 3.284 9.846 1.00 0.00 H new ATOM 0 HA ILE A 100 110.842 4.956 8.214 1.00 0.00 H new ATOM 0 HB ILE A 100 111.347 1.954 8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.290 3.834 6.349 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.255 3.514 7.777 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.292 1.691 6.336 1.00 0.00 H new ATOM 0 HG22 ILE A 100 109.140 2.361 7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.907 3.429 6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.895 1.987 5.926 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.201 1.066 7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.221 1.391 5.831 1.00 0.00 H new ATOM 1587 N GLN A 101 109.415 3.056 10.481 1.00 0.00 N ATOM 1588 CA GLN A 101 108.105 2.856 11.178 1.00 0.00 C ATOM 1589 C GLN A 101 107.674 4.134 11.909 1.00 0.00 C ATOM 1590 O GLN A 101 106.519 4.507 11.889 1.00 0.00 O ATOM 1591 CB GLN A 101 108.361 1.723 12.174 1.00 0.00 C ATOM 1592 CG GLN A 101 107.060 1.372 12.902 1.00 0.00 C ATOM 1593 CD GLN A 101 107.307 0.201 13.857 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.130 0.290 14.747 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.619 -0.900 13.713 1.00 0.00 N ATOM 0 H GLN A 101 110.186 2.493 10.841 1.00 0.00 H new ATOM 0 HA GLN A 101 107.302 2.618 10.480 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.745 0.847 11.652 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.122 2.024 12.894 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.697 2.237 13.457 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.287 1.109 12.180 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.928 -0.976 12.966 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.773 -1.684 14.347 1.00 0.00 H new ATOM 1604 N LEU A 102 108.585 4.796 12.568 1.00 0.00 N ATOM 1605 CA LEU A 102 108.214 6.037 13.314 1.00 0.00 C ATOM 1606 C LEU A 102 107.693 7.119 12.360 1.00 0.00 C ATOM 1607 O LEU A 102 106.730 7.806 12.658 1.00 0.00 O ATOM 1608 CB LEU A 102 109.507 6.492 14.008 1.00 0.00 C ATOM 1609 CG LEU A 102 109.193 7.455 15.164 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.553 8.737 14.626 1.00 0.00 C ATOM 1611 CD2 LEU A 102 108.231 6.784 16.147 1.00 0.00 C ATOM 0 H LEU A 102 109.569 4.534 12.624 1.00 0.00 H new ATOM 0 HA LEU A 102 107.412 5.854 14.029 1.00 0.00 H new ATOM 0 HB2 LEU A 102 110.047 5.624 14.387 1.00 0.00 H new ATOM 0 HB3 LEU A 102 110.160 6.983 13.286 1.00 0.00 H new ATOM 0 HG LEU A 102 110.123 7.706 15.673 1.00 0.00 H new ATOM 0 HD11 LEU A 102 108.335 9.411 15.455 1.00 0.00 H new ATOM 0 HD12 LEU A 102 109.240 9.224 13.934 1.00 0.00 H new ATOM 0 HD13 LEU A 102 107.627 8.491 14.106 1.00 0.00 H new ATOM 0 HD21 LEU A 102 108.010 7.469 16.965 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.306 6.525 15.631 1.00 0.00 H new ATOM 0 HD23 LEU A 102 108.690 5.879 16.545 1.00 0.00 H new ATOM 1623 N GLN A 103 108.311 7.278 11.219 1.00 0.00 N ATOM 1624 CA GLN A 103 107.819 8.327 10.276 1.00 0.00 C ATOM 1625 C GLN A 103 106.544 7.824 9.597 1.00 0.00 C ATOM 1626 O GLN A 103 105.598 8.561 9.394 1.00 0.00 O ATOM 1627 CB GLN A 103 108.943 8.551 9.280 1.00 0.00 C ATOM 1628 CG GLN A 103 110.185 9.058 10.015 1.00 0.00 C ATOM 1629 CD GLN A 103 109.868 10.397 10.680 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.989 10.510 11.974 1.00 0.00 O flip ATOM 1631 NE2 GLN A 103 109.498 11.346 10.019 1.00 0.00 N flip ATOM 0 H GLN A 103 109.118 6.740 10.903 1.00 0.00 H new ATOM 0 HA GLN A 103 107.569 9.264 10.773 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.171 7.622 8.758 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.635 9.274 8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.499 8.332 10.765 1.00 0.00 H new ATOM 0 HG3 GLN A 103 111.013 9.173 9.316 1.00 0.00 H new ATOM 0 HE21 GLN A 103 109.404 11.257 9.007 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.282 12.232 10.475 1.00 0.00 H new ATOM 1640 N PHE A 104 106.504 6.560 9.271 1.00 0.00 N ATOM 1641 CA PHE A 104 105.280 5.999 8.640 1.00 0.00 C ATOM 1642 C PHE A 104 104.112 6.162 9.604 1.00 0.00 C ATOM 1643 O PHE A 104 103.012 6.510 9.224 1.00 0.00 O ATOM 1644 CB PHE A 104 105.578 4.515 8.421 1.00 0.00 C ATOM 1645 CG PHE A 104 105.995 4.291 6.988 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.145 4.908 6.485 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.223 3.466 6.162 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.524 4.699 5.154 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.601 3.256 4.830 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.752 3.873 4.326 1.00 0.00 C ATOM 0 H PHE A 104 107.264 5.895 9.415 1.00 0.00 H new ATOM 0 HA PHE A 104 105.023 6.496 7.705 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.369 4.189 9.096 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.696 3.918 8.652 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.740 5.545 7.123 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.335 2.991 6.552 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.412 5.175 4.765 1.00 0.00 H new ATOM 0 HE2 PHE A 104 105.005 2.619 4.193 1.00 0.00 H new ATOM 0 HZ PHE A 104 107.045 3.712 3.299 1.00 0.00 H new ATOM 1660 N LYS A 105 104.359 5.906 10.858 1.00 0.00 N ATOM 1661 CA LYS A 105 103.290 6.032 11.882 1.00 0.00 C ATOM 1662 C LYS A 105 102.808 7.483 11.984 1.00 0.00 C ATOM 1663 O LYS A 105 101.642 7.739 12.210 1.00 0.00 O ATOM 1664 CB LYS A 105 103.952 5.583 13.178 1.00 0.00 C ATOM 1665 CG LYS A 105 102.929 5.575 14.306 1.00 0.00 C ATOM 1666 CD LYS A 105 103.611 5.087 15.582 1.00 0.00 C ATOM 1667 CE LYS A 105 102.599 5.058 16.727 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.367 4.561 17.902 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.266 5.612 11.219 1.00 0.00 H new ATOM 0 HA LYS A 105 102.409 5.437 11.642 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.377 4.587 13.054 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.776 6.252 13.427 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.522 6.575 14.454 1.00 0.00 H new ATOM 0 HG3 LYS A 105 102.092 4.924 14.052 1.00 0.00 H new ATOM 0 HD2 LYS A 105 104.027 4.092 15.426 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.443 5.744 15.835 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.186 6.049 16.915 1.00 0.00 H new ATOM 0 HE3 LYS A 105 101.760 4.402 16.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 102.741 4.513 18.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 103.742 3.613 17.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.155 5.210 18.101 1.00 0.00 H new ATOM 1682 N GLN A 106 103.680 8.439 11.788 1.00 0.00 N ATOM 1683 CA GLN A 106 103.247 9.863 11.841 1.00 0.00 C ATOM 1684 C GLN A 106 102.528 10.224 10.534 1.00 0.00 C ATOM 1685 O GLN A 106 101.798 11.195 10.469 1.00 0.00 O ATOM 1686 CB GLN A 106 104.548 10.654 11.979 1.00 0.00 C ATOM 1687 CG GLN A 106 104.231 12.138 12.150 1.00 0.00 C ATOM 1688 CD GLN A 106 105.534 12.913 12.354 1.00 0.00 C ATOM 1689 OE1 GLN A 106 106.530 12.351 12.763 1.00 0.00 O ATOM 1690 NE2 GLN A 106 105.574 14.188 12.075 1.00 0.00 N ATOM 0 H GLN A 106 104.671 8.293 11.594 1.00 0.00 H new ATOM 0 HA GLN A 106 102.557 10.072 12.658 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.116 10.292 12.836 1.00 0.00 H new ATOM 0 HB3 GLN A 106 105.171 10.504 11.097 1.00 0.00 H new ATOM 0 HG2 GLN A 106 103.705 12.513 11.272 1.00 0.00 H new ATOM 0 HG3 GLN A 106 103.570 12.284 13.004 1.00 0.00 H new ATOM 0 HE21 GLN A 106 104.738 14.661 11.731 1.00 0.00 H new ATOM 0 HE22 GLN A 106 106.441 14.711 12.201 1.00 0.00 H new ATOM 1699 N GLY A 107 102.712 9.447 9.494 1.00 0.00 N ATOM 1700 CA GLY A 107 102.019 9.752 8.212 1.00 0.00 C ATOM 1701 C GLY A 107 103.013 10.247 7.154 1.00 0.00 C ATOM 1702 O GLY A 107 102.628 10.563 6.046 1.00 0.00 O ATOM 0 H GLY A 107 103.309 8.620 9.481 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.510 8.859 7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.253 10.510 8.380 1.00 0.00 H new ATOM 1706 N ASN A 108 104.285 10.321 7.466 1.00 0.00 N ATOM 1707 CA ASN A 108 105.265 10.801 6.443 1.00 0.00 C ATOM 1708 C ASN A 108 106.053 9.630 5.852 1.00 0.00 C ATOM 1709 O ASN A 108 107.092 9.239 6.344 1.00 0.00 O ATOM 1710 CB ASN A 108 106.200 11.754 7.182 1.00 0.00 C ATOM 1711 CG ASN A 108 105.404 12.935 7.736 1.00 0.00 C ATOM 1712 OD1 ASN A 108 105.510 13.259 8.902 1.00 0.00 O ATOM 1713 ND2 ASN A 108 104.606 13.601 6.945 1.00 0.00 N ATOM 0 H ASN A 108 104.682 10.073 8.372 1.00 0.00 H new ATOM 0 HA ASN A 108 104.762 11.293 5.610 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.701 11.229 7.995 1.00 0.00 H new ATOM 0 HB3 ASN A 108 106.977 12.112 6.507 1.00 0.00 H new ATOM 0 HD21 ASN A 108 104.073 14.392 7.307 1.00 0.00 H new ATOM 0 HD22 ASN A 108 104.516 13.330 5.966 1.00 0.00 H new ATOM 1720 N PHE A 109 105.552 9.082 4.789 1.00 0.00 N ATOM 1721 CA PHE A 109 106.231 7.929 4.112 1.00 0.00 C ATOM 1722 C PHE A 109 107.610 8.341 3.592 1.00 0.00 C ATOM 1723 O PHE A 109 108.575 7.610 3.716 1.00 0.00 O ATOM 1724 CB PHE A 109 105.349 7.581 2.903 1.00 0.00 C ATOM 1725 CG PHE A 109 103.897 7.441 3.303 1.00 0.00 C ATOM 1726 CD1 PHE A 109 103.540 6.754 4.467 1.00 0.00 C ATOM 1727 CD2 PHE A 109 102.914 8.022 2.502 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.188 6.640 4.823 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.565 7.906 2.851 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.202 7.217 4.013 1.00 0.00 C ATOM 0 H PHE A 109 104.685 9.383 4.345 1.00 0.00 H new ATOM 0 HA PHE A 109 106.360 7.097 4.804 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.446 8.357 2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 109 105.696 6.651 2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.303 6.312 5.091 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.195 8.563 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 109 101.908 6.108 5.720 1.00 0.00 H new ATOM 0 HE2 PHE A 109 100.804 8.348 2.224 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.161 7.130 4.286 1.00 0.00 H new ATOM 1740 N LYS A 110 107.703 9.479 2.965 1.00 0.00 N ATOM 1741 CA LYS A 110 109.008 9.901 2.387 1.00 0.00 C ATOM 1742 C LYS A 110 110.076 10.117 3.451 1.00 0.00 C ATOM 1743 O LYS A 110 111.188 9.636 3.323 1.00 0.00 O ATOM 1744 CB LYS A 110 108.719 11.220 1.681 1.00 0.00 C ATOM 1745 CG LYS A 110 109.759 11.416 0.586 1.00 0.00 C ATOM 1746 CD LYS A 110 109.421 10.490 -0.584 1.00 0.00 C ATOM 1747 CE LYS A 110 110.559 10.502 -1.588 1.00 0.00 C ATOM 1748 NZ LYS A 110 110.257 9.366 -2.513 1.00 0.00 N1+ ATOM 0 H LYS A 110 106.933 10.134 2.828 1.00 0.00 H new ATOM 0 HA LYS A 110 109.397 9.130 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 110 107.716 11.210 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.755 12.046 2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 110 109.768 12.455 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.756 11.194 0.968 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.253 9.476 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 110 108.497 10.814 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 110 110.604 11.449 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.523 10.368 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 110.896 9.406 -3.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.392 8.465 -2.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 109.272 9.436 -2.839 1.00 0.00 H new ATOM 1762 N GLN A 111 109.772 10.846 4.485 1.00 0.00 N ATOM 1763 CA GLN A 111 110.802 11.096 5.529 1.00 0.00 C ATOM 1764 C GLN A 111 111.238 9.767 6.145 1.00 0.00 C ATOM 1765 O GLN A 111 112.398 9.561 6.442 1.00 0.00 O ATOM 1766 CB GLN A 111 110.126 11.993 6.564 1.00 0.00 C ATOM 1767 CG GLN A 111 109.784 13.345 5.931 1.00 0.00 C ATOM 1768 CD GLN A 111 111.074 14.073 5.548 1.00 0.00 C ATOM 1769 OE1 GLN A 111 111.966 14.219 6.360 1.00 0.00 O ATOM 1770 NE2 GLN A 111 111.209 14.543 4.338 1.00 0.00 N ATOM 0 H GLN A 111 108.863 11.277 4.653 1.00 0.00 H new ATOM 0 HA GLN A 111 111.698 11.571 5.129 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.220 11.516 6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 111 110.785 12.138 7.420 1.00 0.00 H new ATOM 0 HG2 GLN A 111 109.162 13.198 5.048 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.207 13.950 6.630 1.00 0.00 H new ATOM 0 HE21 GLN A 111 110.460 14.420 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 111 112.064 15.033 4.074 1.00 0.00 H new ATOM 1779 N GLY A 112 110.322 8.863 6.338 1.00 0.00 N ATOM 1780 CA GLY A 112 110.697 7.552 6.932 1.00 0.00 C ATOM 1781 C GLY A 112 111.665 6.819 6.007 1.00 0.00 C ATOM 1782 O GLY A 112 112.659 6.273 6.442 1.00 0.00 O ATOM 0 H GLY A 112 109.334 8.974 6.111 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.158 7.704 7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.805 6.947 7.092 1.00 0.00 H new ATOM 1786 N LEU A 113 111.385 6.794 4.733 1.00 0.00 N ATOM 1787 CA LEU A 113 112.298 6.088 3.789 1.00 0.00 C ATOM 1788 C LEU A 113 113.664 6.773 3.743 1.00 0.00 C ATOM 1789 O LEU A 113 114.694 6.128 3.760 1.00 0.00 O ATOM 1790 CB LEU A 113 111.614 6.197 2.428 1.00 0.00 C ATOM 1791 CG LEU A 113 110.362 5.323 2.413 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.501 5.683 1.201 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.777 3.854 2.323 1.00 0.00 C ATOM 0 H LEU A 113 110.568 7.230 4.306 1.00 0.00 H new ATOM 0 HA LEU A 113 112.472 5.055 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.348 7.234 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.298 5.883 1.640 1.00 0.00 H new ATOM 0 HG LEU A 113 109.789 5.489 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.608 5.059 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.210 6.732 1.260 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.071 5.515 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.887 3.225 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.347 3.692 1.408 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.393 3.596 3.185 1.00 0.00 H new ATOM 1805 N VAL A 114 113.682 8.076 3.669 1.00 0.00 N ATOM 1806 CA VAL A 114 114.982 8.802 3.601 1.00 0.00 C ATOM 1807 C VAL A 114 115.762 8.601 4.895 1.00 0.00 C ATOM 1808 O VAL A 114 116.937 8.287 4.882 1.00 0.00 O ATOM 1809 CB VAL A 114 114.593 10.270 3.417 1.00 0.00 C ATOM 1810 CG1 VAL A 114 115.841 11.153 3.417 1.00 0.00 C ATOM 1811 CG2 VAL A 114 113.846 10.431 2.097 1.00 0.00 C ATOM 0 H VAL A 114 112.852 8.669 3.653 1.00 0.00 H new ATOM 0 HA VAL A 114 115.623 8.447 2.794 1.00 0.00 H new ATOM 0 HB VAL A 114 113.950 10.576 4.242 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.549 12.195 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.366 11.040 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.498 10.854 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.567 11.476 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.489 10.118 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 114 112.947 9.814 2.110 1.00 0.00 H new ATOM 1821 N ASP A 115 115.122 8.781 6.013 1.00 0.00 N ATOM 1822 CA ASP A 115 115.835 8.597 7.302 1.00 0.00 C ATOM 1823 C ASP A 115 116.281 7.141 7.440 1.00 0.00 C ATOM 1824 O ASP A 115 117.377 6.859 7.882 1.00 0.00 O ATOM 1825 CB ASP A 115 114.812 8.960 8.379 1.00 0.00 C ATOM 1826 CG ASP A 115 114.810 10.471 8.607 1.00 0.00 C ATOM 1827 OD1 ASP A 115 115.782 11.108 8.238 1.00 0.00 O1- ATOM 1828 OD2 ASP A 115 113.832 10.966 9.145 1.00 0.00 O ATOM 0 H ASP A 115 114.140 9.046 6.090 1.00 0.00 H new ATOM 0 HA ASP A 115 116.730 9.214 7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 115 113.819 8.628 8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.051 8.444 9.309 1.00 0.00 H new ATOM 1833 N GLY A 116 115.445 6.212 7.066 1.00 0.00 N ATOM 1834 CA GLY A 116 115.832 4.779 7.186 1.00 0.00 C ATOM 1835 C GLY A 116 117.060 4.496 6.317 1.00 0.00 C ATOM 1836 O GLY A 116 117.973 3.814 6.732 1.00 0.00 O ATOM 0 H GLY A 116 114.515 6.382 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.049 4.538 8.227 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.003 4.142 6.877 1.00 0.00 H new ATOM 1840 N ILE A 117 117.097 5.009 5.116 1.00 0.00 N ATOM 1841 CA ILE A 117 118.279 4.752 4.242 1.00 0.00 C ATOM 1842 C ILE A 117 119.538 5.367 4.865 1.00 0.00 C ATOM 1843 O ILE A 117 120.592 4.766 4.874 1.00 0.00 O ATOM 1844 CB ILE A 117 117.948 5.418 2.901 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.797 4.664 2.235 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.170 5.374 1.976 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.309 5.455 1.021 1.00 0.00 C ATOM 0 H ILE A 117 116.367 5.590 4.705 1.00 0.00 H new ATOM 0 HA ILE A 117 118.476 3.687 4.118 1.00 0.00 H new ATOM 0 HB ILE A 117 117.666 6.456 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.127 3.672 1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 117 115.981 4.524 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 117 118.925 5.849 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.000 5.904 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.456 4.337 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.488 4.920 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.963 6.438 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 117 117.127 5.572 0.310 1.00 0.00 H new ATOM 1859 N GLU A 118 119.439 6.564 5.370 1.00 0.00 N ATOM 1860 CA GLU A 118 120.636 7.213 5.975 1.00 0.00 C ATOM 1861 C GLU A 118 121.195 6.341 7.107 1.00 0.00 C ATOM 1862 O GLU A 118 122.370 6.035 7.137 1.00 0.00 O ATOM 1863 CB GLU A 118 120.118 8.546 6.508 1.00 0.00 C ATOM 1864 CG GLU A 118 121.280 9.381 7.046 1.00 0.00 C ATOM 1865 CD GLU A 118 120.753 10.725 7.565 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.606 11.045 7.290 1.00 0.00 O1- ATOM 1867 OE2 GLU A 118 121.506 11.410 8.236 1.00 0.00 O ATOM 0 H GLU A 118 118.584 7.120 5.391 1.00 0.00 H new ATOM 0 HA GLU A 118 121.450 7.349 5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.605 9.090 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.388 8.372 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 118 121.786 8.844 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.016 9.547 6.259 1.00 0.00 H new ATOM 1874 N LYS A 119 120.366 5.927 8.029 1.00 0.00 N ATOM 1875 CA LYS A 119 120.870 5.064 9.141 1.00 0.00 C ATOM 1876 C LYS A 119 121.412 3.763 8.556 1.00 0.00 C ATOM 1877 O LYS A 119 122.461 3.284 8.940 1.00 0.00 O ATOM 1878 CB LYS A 119 119.657 4.791 10.032 1.00 0.00 C ATOM 1879 CG LYS A 119 119.209 6.087 10.705 1.00 0.00 C ATOM 1880 CD LYS A 119 117.971 5.815 11.560 1.00 0.00 C ATOM 1881 CE LYS A 119 117.586 7.089 12.314 1.00 0.00 C ATOM 1882 NZ LYS A 119 116.930 7.953 11.294 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.370 6.146 8.062 1.00 0.00 H new ATOM 0 HA LYS A 119 121.674 5.535 9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.842 4.379 9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.909 4.046 10.787 1.00 0.00 H new ATOM 0 HG2 LYS A 119 120.013 6.484 11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 119 118.985 6.842 9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.144 5.488 10.929 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.172 5.008 12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 119 116.910 6.870 13.140 1.00 0.00 H new ATOM 0 HE3 LYS A 119 118.463 7.576 12.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 117.449 8.850 11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 116.933 7.468 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 115.949 8.145 11.581 1.00 0.00 H new ATOM 1896 N ALA A 120 120.719 3.204 7.608 1.00 0.00 N ATOM 1897 CA ALA A 120 121.205 1.952 6.967 1.00 0.00 C ATOM 1898 C ALA A 120 122.598 2.190 6.375 1.00 0.00 C ATOM 1899 O ALA A 120 123.456 1.330 6.407 1.00 0.00 O ATOM 1900 CB ALA A 120 120.190 1.653 5.860 1.00 0.00 C ATOM 0 H ALA A 120 119.834 3.560 7.247 1.00 0.00 H new ATOM 0 HA ALA A 120 121.288 1.123 7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.479 0.741 5.338 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.201 1.522 6.299 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.167 2.483 5.154 1.00 0.00 H new ATOM 1906 N GLY A 121 122.819 3.355 5.826 1.00 0.00 N ATOM 1907 CA GLY A 121 124.146 3.664 5.217 1.00 0.00 C ATOM 1908 C GLY A 121 125.225 3.767 6.300 1.00 0.00 C ATOM 1909 O GLY A 121 126.303 3.225 6.164 1.00 0.00 O ATOM 0 H GLY A 121 122.134 4.109 5.773 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.414 2.886 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.089 4.601 4.663 1.00 0.00 H new ATOM 1913 N MET A 122 124.948 4.453 7.377 1.00 0.00 N ATOM 1914 CA MET A 122 125.967 4.575 8.462 1.00 0.00 C ATOM 1915 C MET A 122 126.183 3.220 9.136 1.00 0.00 C ATOM 1916 O MET A 122 127.300 2.817 9.414 1.00 0.00 O ATOM 1917 CB MET A 122 125.377 5.576 9.456 1.00 0.00 C ATOM 1918 CG MET A 122 125.241 6.948 8.790 1.00 0.00 C ATOM 1919 SD MET A 122 126.877 7.554 8.302 1.00 0.00 S ATOM 1920 CE MET A 122 127.520 7.862 9.968 1.00 0.00 C ATOM 0 H MET A 122 124.065 4.932 7.553 1.00 0.00 H new ATOM 0 HA MET A 122 126.935 4.902 8.082 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.402 5.230 9.800 1.00 0.00 H new ATOM 0 HB3 MET A 122 126.017 5.650 10.335 1.00 0.00 H new ATOM 0 HG2 MET A 122 124.593 6.876 7.916 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.772 7.652 9.477 1.00 0.00 H new ATOM 0 HE1 MET A 122 128.261 8.660 9.930 1.00 0.00 H new ATOM 0 HE2 MET A 122 126.702 8.157 10.625 1.00 0.00 H new ATOM 0 HE3 MET A 122 127.984 6.954 10.353 1.00 0.00 H new ATOM 1930 N ALA A 123 125.121 2.505 9.399 1.00 0.00 N ATOM 1931 CA ALA A 123 125.277 1.182 10.050 1.00 0.00 C ATOM 1932 C ALA A 123 126.001 0.250 9.098 1.00 0.00 C ATOM 1933 O ALA A 123 126.951 -0.389 9.466 1.00 0.00 O ATOM 1934 CB ALA A 123 123.861 0.687 10.341 1.00 0.00 C ATOM 0 H ALA A 123 124.161 2.781 9.191 1.00 0.00 H new ATOM 0 HA ALA A 123 125.859 1.231 10.970 1.00 0.00 H new ATOM 0 HB1 ALA A 123 123.909 -0.289 10.823 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.357 1.393 11.001 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.306 0.603 9.407 1.00 0.00 H new ATOM 1940 N LEU A 124 125.588 0.207 7.863 1.00 0.00 N ATOM 1941 CA LEU A 124 126.286 -0.659 6.877 1.00 0.00 C ATOM 1942 C LEU A 124 127.727 -0.185 6.738 1.00 0.00 C ATOM 1943 O LEU A 124 128.638 -0.978 6.613 1.00 0.00 O ATOM 1944 CB LEU A 124 125.511 -0.487 5.567 1.00 0.00 C ATOM 1945 CG LEU A 124 124.142 -1.164 5.699 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.242 -0.741 4.536 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.321 -2.685 5.669 1.00 0.00 C ATOM 0 H LEU A 124 124.797 0.735 7.495 1.00 0.00 H new ATOM 0 HA LEU A 124 126.317 -1.708 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.386 0.572 5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.069 -0.926 4.740 1.00 0.00 H new ATOM 0 HG LEU A 124 123.683 -0.865 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.270 -1.224 4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.112 0.341 4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.702 -1.038 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.348 -3.168 5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.782 -2.979 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.960 -2.993 6.497 1.00 0.00 H new ATOM 1959 N ALA A 125 127.947 1.102 6.745 1.00 0.00 N ATOM 1960 CA ALA A 125 129.336 1.617 6.601 1.00 0.00 C ATOM 1961 C ALA A 125 130.250 0.994 7.657 1.00 0.00 C ATOM 1962 O ALA A 125 131.410 0.738 7.408 1.00 0.00 O ATOM 1963 CB ALA A 125 129.227 3.127 6.801 1.00 0.00 C ATOM 0 H ALA A 125 127.226 1.816 6.844 1.00 0.00 H new ATOM 0 HA ALA A 125 129.766 1.368 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.215 3.578 6.709 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.564 3.547 6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 125 128.824 3.335 7.792 1.00 0.00 H new ATOM 1969 N LYS A 126 129.742 0.731 8.834 1.00 0.00 N ATOM 1970 CA LYS A 126 130.604 0.107 9.881 1.00 0.00 C ATOM 1971 C LYS A 126 131.086 -1.255 9.381 1.00 0.00 C ATOM 1972 O LYS A 126 132.228 -1.631 9.552 1.00 0.00 O ATOM 1973 CB LYS A 126 129.693 -0.068 11.101 1.00 0.00 C ATOM 1974 CG LYS A 126 129.321 1.299 11.679 1.00 0.00 C ATOM 1975 CD LYS A 126 128.279 1.117 12.788 1.00 0.00 C ATOM 1976 CE LYS A 126 128.908 0.373 13.968 1.00 0.00 C ATOM 1977 NZ LYS A 126 127.810 0.230 14.966 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.779 0.919 9.113 1.00 0.00 H new ATOM 0 HA LYS A 126 131.481 0.708 10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 126 128.791 -0.609 10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 126 130.198 -0.667 11.859 1.00 0.00 H new ATOM 0 HG2 LYS A 126 130.208 1.792 12.076 1.00 0.00 H new ATOM 0 HG3 LYS A 126 128.924 1.942 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 126 127.907 2.088 13.114 1.00 0.00 H new ATOM 0 HD3 LYS A 126 127.423 0.559 12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 126 129.291 -0.600 13.661 1.00 0.00 H new ATOM 0 HE3 LYS A 126 129.748 0.930 14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 128.166 -0.272 15.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 127.469 1.172 15.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 127.027 -0.311 14.546 1.00 0.00 H new ATOM 1991 N TYR A 127 130.215 -1.991 8.752 1.00 0.00 N ATOM 1992 CA TYR A 127 130.600 -3.329 8.220 1.00 0.00 C ATOM 1993 C TYR A 127 131.345 -3.191 6.889 1.00 0.00 C ATOM 1994 O TYR A 127 132.270 -3.926 6.604 1.00 0.00 O ATOM 1995 CB TYR A 127 129.277 -4.068 8.036 1.00 0.00 C ATOM 1996 CG TYR A 127 128.666 -4.303 9.395 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.884 -3.315 9.980 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.902 -5.497 10.075 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.326 -3.511 11.247 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.344 -5.700 11.343 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.555 -4.704 11.929 1.00 0.00 C ATOM 2002 OH TYR A 127 127.001 -4.901 13.177 1.00 0.00 O ATOM 0 H TYR A 127 129.246 -1.722 8.582 1.00 0.00 H new ATOM 0 HA TYR A 127 131.275 -3.862 8.889 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.600 -3.484 7.413 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.441 -5.017 7.525 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.706 -2.389 9.453 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.514 -6.264 9.624 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.719 -2.739 11.696 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.523 -6.626 11.869 1.00 0.00 H new ATOM 0 HH TYR A 127 127.258 -5.785 13.513 1.00 0.00 H new ATOM 2012 N PHE A 128 130.949 -2.253 6.074 1.00 0.00 N ATOM 2013 CA PHE A 128 131.624 -2.064 4.764 1.00 0.00 C ATOM 2014 C PHE A 128 132.015 -0.585 4.591 1.00 0.00 C ATOM 2015 O PHE A 128 131.221 0.212 4.129 1.00 0.00 O ATOM 2016 CB PHE A 128 130.591 -2.496 3.725 1.00 0.00 C ATOM 2017 CG PHE A 128 130.390 -3.994 3.817 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.287 -4.859 3.178 1.00 0.00 C ATOM 2019 CD2 PHE A 128 129.313 -4.517 4.545 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.107 -6.245 3.267 1.00 0.00 C ATOM 2021 CE2 PHE A 128 129.134 -5.903 4.632 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.031 -6.767 3.994 1.00 0.00 C ATOM 0 H PHE A 128 130.182 -1.607 6.262 1.00 0.00 H new ATOM 0 HA PHE A 128 132.544 -2.642 4.670 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.647 -1.979 3.896 1.00 0.00 H new ATOM 0 HB3 PHE A 128 130.927 -2.223 2.725 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.118 -4.457 2.617 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.621 -3.851 5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 128 131.799 -6.912 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 128 128.303 -6.306 5.192 1.00 0.00 H new ATOM 0 HZ PHE A 128 129.893 -7.836 4.063 1.00 0.00 H new ATOM 2032 N PRO A 129 133.234 -0.266 4.980 1.00 0.00 N ATOM 2033 CA PRO A 129 133.731 1.133 4.876 1.00 0.00 C ATOM 2034 C PRO A 129 133.877 1.562 3.414 1.00 0.00 C ATOM 2035 O PRO A 129 134.071 0.751 2.530 1.00 0.00 O ATOM 2036 CB PRO A 129 135.087 1.090 5.581 1.00 0.00 C ATOM 2037 CG PRO A 129 135.520 -0.336 5.493 1.00 0.00 C ATOM 2038 CD PRO A 129 134.266 -1.161 5.540 1.00 0.00 C ATOM 0 HA PRO A 129 133.049 1.857 5.322 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.805 1.752 5.097 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.004 1.414 6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.071 -0.519 4.571 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.185 -0.592 6.318 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.365 -2.074 4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.024 -1.463 6.559 1.00 0.00 H new ATOM 2046 N TRP A 130 133.773 2.840 3.162 1.00 0.00 N ATOM 2047 CA TRP A 130 133.891 3.346 1.766 1.00 0.00 C ATOM 2048 C TRP A 130 135.349 3.392 1.319 1.00 0.00 C ATOM 2049 O TRP A 130 136.206 3.907 2.009 1.00 0.00 O ATOM 2050 CB TRP A 130 133.334 4.769 1.808 1.00 0.00 C ATOM 2051 CG TRP A 130 133.242 5.283 0.408 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.306 4.907 -0.489 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.100 6.246 -0.274 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.535 5.569 -1.681 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.628 6.407 -1.599 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.230 6.986 0.120 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.254 7.268 -2.500 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.863 7.856 -0.785 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.375 7.995 -2.093 1.00 0.00 C ATOM 0 H TRP A 130 133.610 3.558 3.868 1.00 0.00 H new ATOM 0 HA TRP A 130 133.359 2.700 1.068 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.352 4.778 2.280 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.981 5.411 2.406 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.508 4.203 -0.305 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.965 5.452 -2.519 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.614 6.885 1.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.874 7.372 -3.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.729 8.420 -0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.866 8.664 -2.785 1.00 0.00 H new ATOM 2070 N LYS A 131 135.632 2.892 0.150 1.00 0.00 N ATOM 2071 CA LYS A 131 137.026 2.946 -0.366 1.00 0.00 C ATOM 2072 C LYS A 131 137.066 3.906 -1.570 1.00 0.00 C ATOM 2073 O LYS A 131 136.082 4.091 -2.249 1.00 0.00 O ATOM 2074 CB LYS A 131 137.366 1.506 -0.773 1.00 0.00 C ATOM 2075 CG LYS A 131 137.309 0.586 0.456 1.00 0.00 C ATOM 2076 CD LYS A 131 138.426 0.957 1.433 1.00 0.00 C ATOM 2077 CE LYS A 131 138.376 0.028 2.651 1.00 0.00 C ATOM 2078 NZ LYS A 131 139.516 0.455 3.511 1.00 0.00 N1+ ATOM 0 H LYS A 131 134.956 2.447 -0.471 1.00 0.00 H new ATOM 0 HA LYS A 131 137.746 3.313 0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.664 1.158 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.360 1.470 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 131 136.340 0.678 0.946 1.00 0.00 H new ATOM 0 HG3 LYS A 131 137.413 -0.454 0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 131 139.395 0.875 0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.316 1.994 1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 131 137.427 0.121 3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 131 138.475 -1.016 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 139.547 -0.137 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 140.407 0.349 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 139.391 1.451 3.783 1.00 0.00 H new ATOM 2092 N LYS A 132 138.170 4.559 -1.810 1.00 0.00 N ATOM 2093 CA LYS A 132 138.216 5.548 -2.939 1.00 0.00 C ATOM 2094 C LYS A 132 137.877 4.879 -4.266 1.00 0.00 C ATOM 2095 O LYS A 132 137.300 5.495 -5.146 1.00 0.00 O ATOM 2096 CB LYS A 132 139.647 6.085 -2.959 1.00 0.00 C ATOM 2097 CG LYS A 132 139.714 7.368 -3.797 1.00 0.00 C ATOM 2098 CD LYS A 132 141.122 7.962 -3.693 1.00 0.00 C ATOM 2099 CE LYS A 132 141.207 9.261 -4.500 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.584 9.775 -4.248 1.00 0.00 N1+ ATOM 0 H LYS A 132 139.037 4.457 -1.283 1.00 0.00 H new ATOM 0 HA LYS A 132 137.486 6.345 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 132 139.983 6.287 -1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 132 140.320 5.335 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.474 7.150 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 132 138.975 8.087 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 132 141.366 8.157 -2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.855 7.246 -4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 132 141.041 9.079 -5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 132 140.452 9.978 -4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 142.723 10.665 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 142.710 9.945 -3.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.281 9.074 -4.571 1.00 0.00 H new ATOM 2114 N ASP A 133 138.204 3.627 -4.415 1.00 0.00 N ATOM 2115 CA ASP A 133 137.865 2.943 -5.689 1.00 0.00 C ATOM 2116 C ASP A 133 136.468 2.315 -5.609 1.00 0.00 C ATOM 2117 O ASP A 133 136.067 1.587 -6.495 1.00 0.00 O ATOM 2118 CB ASP A 133 138.937 1.880 -5.899 1.00 0.00 C ATOM 2119 CG ASP A 133 140.304 2.551 -6.019 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.340 3.732 -6.325 1.00 0.00 O1- ATOM 2121 OD2 ASP A 133 141.294 1.872 -5.799 1.00 0.00 O ATOM 0 H ASP A 133 138.684 3.056 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 133 137.843 3.642 -6.525 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.937 1.178 -5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.722 1.305 -6.800 1.00 0.00 H new ATOM 2126 N ASP A 134 135.720 2.594 -4.544 1.00 0.00 N ATOM 2127 CA ASP A 134 134.346 2.030 -4.386 1.00 0.00 C ATOM 2128 C ASP A 134 133.570 2.099 -5.701 1.00 0.00 C ATOM 2129 O ASP A 134 133.636 3.058 -6.434 1.00 0.00 O ATOM 2130 CB ASP A 134 133.669 2.935 -3.356 1.00 0.00 C ATOM 2131 CG ASP A 134 132.257 2.413 -3.054 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.783 1.559 -3.781 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.674 2.876 -2.097 1.00 0.00 O ATOM 0 H ASP A 134 136.020 3.197 -3.778 1.00 0.00 H new ATOM 0 HA ASP A 134 134.378 0.983 -4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.259 2.964 -2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.616 3.956 -3.734 1.00 0.00 H new ATOM 2138 N ILE A 135 132.871 1.067 -6.005 1.00 0.00 N ATOM 2139 CA ILE A 135 132.110 1.024 -7.298 1.00 0.00 C ATOM 2140 C ILE A 135 130.594 1.057 -7.032 1.00 0.00 C ATOM 2141 O ILE A 135 130.111 0.442 -6.103 1.00 0.00 O ATOM 2142 CB ILE A 135 132.538 -0.295 -8.037 1.00 0.00 C ATOM 2143 CG1 ILE A 135 131.739 -1.531 -7.540 1.00 0.00 C ATOM 2144 CG2 ILE A 135 134.043 -0.570 -7.862 1.00 0.00 C ATOM 2145 CD1 ILE A 135 132.028 -1.828 -6.061 1.00 0.00 C ATOM 0 H ILE A 135 132.781 0.235 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 135 132.336 1.892 -7.918 1.00 0.00 H new ATOM 0 HB ILE A 135 132.315 -0.138 -9.092 1.00 0.00 H new ATOM 0 HG12 ILE A 135 130.672 -1.355 -7.675 1.00 0.00 H new ATOM 0 HG13 ILE A 135 131.998 -2.400 -8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.308 -1.489 -8.385 1.00 0.00 H new ATOM 0 HG22 ILE A 135 134.615 0.261 -8.276 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.273 -0.676 -6.802 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.453 -2.699 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 135 133.091 -2.029 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 135 131.745 -0.967 -5.455 1.00 0.00 H new ATOM 2157 N ASP A 136 129.842 1.743 -7.847 1.00 0.00 N ATOM 2158 CA ASP A 136 128.369 1.772 -7.627 1.00 0.00 C ATOM 2159 C ASP A 136 127.687 0.711 -8.496 1.00 0.00 C ATOM 2160 O ASP A 136 127.392 0.926 -9.655 1.00 0.00 O ATOM 2161 CB ASP A 136 127.914 3.166 -8.051 1.00 0.00 C ATOM 2162 CG ASP A 136 126.420 3.340 -7.745 1.00 0.00 C ATOM 2163 OD1 ASP A 136 125.801 2.382 -7.306 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 125.922 4.433 -7.947 1.00 0.00 O ATOM 0 H ASP A 136 130.178 2.279 -8.647 1.00 0.00 H new ATOM 0 HA ASP A 136 128.112 1.562 -6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.493 3.924 -7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 136 128.096 3.310 -9.116 1.00 0.00 H new ATOM 2169 N GLU A 137 127.471 -0.441 -7.940 1.00 0.00 N ATOM 2170 CA GLU A 137 126.843 -1.560 -8.705 1.00 0.00 C ATOM 2171 C GLU A 137 125.366 -1.299 -9.022 1.00 0.00 C ATOM 2172 O GLU A 137 124.904 -1.579 -10.112 1.00 0.00 O ATOM 2173 CB GLU A 137 126.981 -2.757 -7.774 1.00 0.00 C ATOM 2174 CG GLU A 137 128.460 -3.120 -7.656 1.00 0.00 C ATOM 2175 CD GLU A 137 128.653 -4.239 -6.628 1.00 0.00 C ATOM 2176 OE1 GLU A 137 127.662 -4.716 -6.095 1.00 0.00 O ATOM 2177 OE2 GLU A 137 129.793 -4.597 -6.385 1.00 0.00 O1- ATOM 0 H GLU A 137 127.705 -0.664 -6.973 1.00 0.00 H new ATOM 0 HA GLU A 137 127.321 -1.701 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.571 -2.521 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.414 -3.604 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.842 -3.438 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 137 129.034 -2.242 -7.360 1.00 0.00 H new ATOM 2184 N LEU A 138 124.616 -0.787 -8.087 1.00 0.00 N ATOM 2185 CA LEU A 138 123.173 -0.543 -8.356 1.00 0.00 C ATOM 2186 C LEU A 138 122.885 0.953 -8.543 1.00 0.00 C ATOM 2187 O LEU A 138 123.551 1.779 -7.961 1.00 0.00 O ATOM 2188 CB LEU A 138 122.446 -1.050 -7.105 1.00 0.00 C ATOM 2189 CG LEU A 138 122.271 -2.574 -7.161 1.00 0.00 C ATOM 2190 CD1 LEU A 138 121.468 -3.029 -5.942 1.00 0.00 C ATOM 2191 CD2 LEU A 138 121.517 -2.973 -8.433 1.00 0.00 C ATOM 0 H LEU A 138 124.937 -0.529 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 138 122.852 -1.044 -9.269 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.011 -0.776 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.471 -0.569 -7.025 1.00 0.00 H new ATOM 0 HG LEU A 138 123.253 -3.047 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 138 121.339 -4.111 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 138 122.001 -2.754 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 138 120.490 -2.547 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 138 121.399 -4.056 -8.461 1.00 0.00 H new ATOM 0 HD22 LEU A 138 120.535 -2.501 -8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 138 122.080 -2.646 -9.307 1.00 0.00 H new ATOM 2203 N PRO A 139 121.875 1.259 -9.320 1.00 0.00 N ATOM 2204 CA PRO A 139 121.492 2.674 -9.531 1.00 0.00 C ATOM 2205 C PRO A 139 120.844 3.209 -8.253 1.00 0.00 C ATOM 2206 O PRO A 139 120.765 2.512 -7.261 1.00 0.00 O ATOM 2207 CB PRO A 139 120.488 2.612 -10.679 1.00 0.00 C ATOM 2208 CG PRO A 139 119.927 1.228 -10.628 1.00 0.00 C ATOM 2209 CD PRO A 139 121.001 0.340 -10.069 1.00 0.00 C ATOM 0 HA PRO A 139 122.330 3.332 -9.761 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.704 3.360 -10.559 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.971 2.807 -11.637 1.00 0.00 H new ATOM 0 HG2 PRO A 139 119.035 1.196 -10.002 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.630 0.895 -11.623 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.584 -0.430 -9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.547 -0.172 -10.861 1.00 0.00 H new ATOM 2217 N ASN A 140 120.346 4.413 -8.263 1.00 0.00 N ATOM 2218 CA ASN A 140 119.670 4.944 -7.046 1.00 0.00 C ATOM 2219 C ASN A 140 118.198 5.273 -7.359 1.00 0.00 C ATOM 2220 O ASN A 140 117.484 5.797 -6.527 1.00 0.00 O ATOM 2221 CB ASN A 140 120.448 6.210 -6.691 1.00 0.00 C ATOM 2222 CG ASN A 140 120.381 7.199 -7.857 1.00 0.00 C ATOM 2223 OD1 ASN A 140 119.324 7.698 -8.186 1.00 0.00 O ATOM 2224 ND2 ASN A 140 121.475 7.507 -8.499 1.00 0.00 N ATOM 0 H ASN A 140 120.377 5.051 -9.058 1.00 0.00 H new ATOM 0 HA ASN A 140 119.662 4.228 -6.224 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.032 6.664 -5.792 1.00 0.00 H new ATOM 0 HB3 ASN A 140 121.486 5.961 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 140 121.442 8.166 -9.276 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.363 7.088 -8.223 1.00 0.00 H new ATOM 2231 N THR A 141 117.742 4.979 -8.558 1.00 0.00 N ATOM 2232 CA THR A 141 116.337 5.282 -8.934 1.00 0.00 C ATOM 2233 C THR A 141 115.369 4.492 -8.051 1.00 0.00 C ATOM 2234 O THR A 141 115.774 3.694 -7.228 1.00 0.00 O ATOM 2235 CB THR A 141 116.217 4.833 -10.396 1.00 0.00 C ATOM 2236 OG1 THR A 141 116.436 3.433 -10.476 1.00 0.00 O ATOM 2237 CG2 THR A 141 117.257 5.562 -11.259 1.00 0.00 C ATOM 0 H THR A 141 118.296 4.538 -9.292 1.00 0.00 H new ATOM 0 HA THR A 141 116.093 6.337 -8.806 1.00 0.00 H new ATOM 0 HB THR A 141 115.219 5.073 -10.763 1.00 0.00 H new ATOM 0 HG1 THR A 141 116.358 3.143 -11.409 1.00 0.00 H new ATOM 0 HG21 THR A 141 117.163 5.236 -12.295 1.00 0.00 H new ATOM 0 HG22 THR A 141 117.089 6.637 -11.200 1.00 0.00 H new ATOM 0 HG23 THR A 141 118.258 5.331 -10.895 1.00 0.00 H new ATOM 2245 N ILE A 142 114.094 4.730 -8.200 1.00 0.00 N ATOM 2246 CA ILE A 142 113.090 4.019 -7.353 1.00 0.00 C ATOM 2247 C ILE A 142 112.317 2.969 -8.161 1.00 0.00 C ATOM 2248 O ILE A 142 111.957 3.186 -9.302 1.00 0.00 O ATOM 2249 CB ILE A 142 112.150 5.117 -6.862 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.955 6.159 -6.082 1.00 0.00 C ATOM 2251 CG2 ILE A 142 111.086 4.509 -5.947 1.00 0.00 C ATOM 2252 CD1 ILE A 142 112.053 7.339 -5.725 1.00 0.00 C ATOM 0 H ILE A 142 113.702 5.388 -8.874 1.00 0.00 H new ATOM 0 HA ILE A 142 113.564 3.478 -6.534 1.00 0.00 H new ATOM 0 HB ILE A 142 111.666 5.590 -7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.364 5.713 -5.175 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.801 6.502 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.415 5.294 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.514 3.763 -6.499 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.569 4.036 -5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.627 8.081 -5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.665 7.790 -6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 142 111.222 6.990 -5.112 1.00 0.00 H new ATOM 2264 N SER A 143 112.043 1.840 -7.562 1.00 0.00 N ATOM 2265 CA SER A 143 111.274 0.768 -8.263 1.00 0.00 C ATOM 2266 C SER A 143 109.786 0.885 -7.916 1.00 0.00 C ATOM 2267 O SER A 143 109.424 1.035 -6.765 1.00 0.00 O ATOM 2268 CB SER A 143 111.834 -0.541 -7.708 1.00 0.00 C ATOM 2269 OG SER A 143 111.458 -1.614 -8.561 1.00 0.00 O ATOM 0 H SER A 143 112.322 1.612 -6.608 1.00 0.00 H new ATOM 0 HA SER A 143 111.366 0.832 -9.347 1.00 0.00 H new ATOM 0 HB2 SER A 143 112.920 -0.483 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.456 -0.713 -6.700 1.00 0.00 H new ATOM 0 HG SER A 143 110.815 -2.190 -8.098 1.00 0.00 H new ATOM 2275 N LYS A 144 108.918 0.816 -8.891 1.00 0.00 N ATOM 2276 CA LYS A 144 107.462 0.922 -8.582 1.00 0.00 C ATOM 2277 C LYS A 144 106.690 -0.254 -9.187 1.00 0.00 C ATOM 2278 O LYS A 144 106.809 -0.554 -10.358 1.00 0.00 O ATOM 2279 CB LYS A 144 107.003 2.238 -9.209 1.00 0.00 C ATOM 2280 CG LYS A 144 105.541 2.478 -8.829 1.00 0.00 C ATOM 2281 CD LYS A 144 105.063 3.812 -9.400 1.00 0.00 C ATOM 2282 CE LYS A 144 103.608 4.041 -8.981 1.00 0.00 C ATOM 2283 NZ LYS A 144 103.239 5.361 -9.560 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.150 0.692 -9.876 1.00 0.00 H new ATOM 0 HA LYS A 144 107.280 0.899 -7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.625 3.061 -8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 144 107.110 2.198 -10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 144 104.920 1.667 -9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 144 105.434 2.479 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 144 105.692 4.624 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 144 105.146 3.808 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 144 102.960 3.250 -9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 144 103.507 4.045 -7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 102.254 5.585 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 103.867 6.096 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 103.338 5.326 -10.595 1.00 0.00 H new ATOM 2297 N GLY A 145 105.887 -0.912 -8.395 1.00 0.00 N ATOM 2298 CA GLY A 145 105.095 -2.063 -8.915 1.00 0.00 C ATOM 2299 C GLY A 145 106.029 -3.222 -9.260 1.00 0.00 C ATOM 2300 O GLY A 145 106.993 -2.990 -9.971 1.00 0.00 O ATOM 2301 OXT GLY A 145 105.765 -4.324 -8.809 1.00 0.00 O ATOM 0 H GLY A 145 105.745 -0.701 -7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 145 104.366 -2.381 -8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.535 -1.760 -9.799 1.00 0.00 H new