USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=25 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 106 GLN :FLIP amide:sc= 0.37 X(o=0.39,f=0.47) USER MOD Set 1.2: A 108 ASN : amide:sc= 0.104 X(o=0.47,f=0.39) USER MOD Set 2.1: A 103 GLN : amide:sc= -0.151 K(o=-0.15,f=-1.8) USER MOD Set 2.2: A 111 GLN : amide:sc= 0 K(o=-0.15,f=-0.89!) USER MOD Single : A 9 THR OG1 : rot 30:sc= 0.669 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=-0.00663 K(o=-0.0066,f=-1.6!) USER MOD Single : A 27 THR OG1 : rot -131:sc= 0.145 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -0.689 X(o=-0.69,f=-0.26) 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= 0.0481 USER MOD Single : A 48 MET CE :methyl -116:sc= -0.0059 (180deg=-0.37) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.348 F(o=-2.1,f=-0.35) USER MOD Single : A 53 ASN : amide:sc= -0.0226 K(o=-0.023,f=-1.2) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -165:sc= -2.49 (180deg=-3.9!) USER MOD Single : A 58 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.26) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 60 LYS NZ :NH3+ -160:sc=-0.000466 (180deg=-0.461) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 ASN : amide:sc= -3.47 K(o=-3.5,f=-8.4!) USER MOD Single : A 68 TYR OH : rot 158:sc= 1.2 USER MOD Single : A 74 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0482) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.0404 K(o=-0.04,f=-1.5!) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 95 THR OG1 : rot 180:sc=0.000442 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0669 USER MOD Single : A 98 ASN : amide:sc= -0.0958 K(o=-0.096,f=-2.2!) USER MOD Single : A 101 GLN : amide:sc=-0.00821 K(o=-0.0082,f=-1.6!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -154:sc= -0.0635 (180deg=-0.821) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl -117:sc= -0.0051 (180deg=-0.254) 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= -1.44 K(o=-1.4,f=-3.3!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.00468 USER MOD Single : A 143 SER OG : rot -140:sc= -0.793 USER MOD Single : A 144 LYS NZ :NH3+ -102:sc= 0.00954 (180deg=-0.0115) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.732 14.069 -4.835 1.00 0.00 N ATOM 142 CA THR A 9 105.843 15.037 -5.966 1.00 0.00 C ATOM 143 C THR A 9 107.286 15.051 -6.478 1.00 0.00 C ATOM 144 O THR A 9 108.176 14.510 -5.853 1.00 0.00 O ATOM 145 CB THR A 9 105.462 16.391 -5.354 1.00 0.00 C ATOM 146 OG1 THR A 9 104.348 16.215 -4.489 1.00 0.00 O ATOM 147 CG2 THR A 9 105.084 17.378 -6.461 1.00 0.00 C ATOM 0 HA THR A 9 105.205 14.786 -6.813 1.00 0.00 H new ATOM 0 HB THR A 9 106.312 16.784 -4.796 1.00 0.00 H new ATOM 0 HG1 THR A 9 104.370 15.313 -4.106 1.00 0.00 H new ATOM 0 HG21 THR A 9 104.815 18.337 -6.017 1.00 0.00 H new ATOM 0 HG22 THR A 9 105.932 17.514 -7.132 1.00 0.00 H new ATOM 0 HG23 THR A 9 104.236 16.987 -7.023 1.00 0.00 H new ATOM 155 N ALA A 10 107.538 15.657 -7.612 1.00 0.00 N ATOM 156 CA ALA A 10 108.938 15.681 -8.143 1.00 0.00 C ATOM 157 C ALA A 10 109.892 16.202 -7.069 1.00 0.00 C ATOM 158 O ALA A 10 110.986 15.716 -6.906 1.00 0.00 O ATOM 159 CB ALA A 10 108.904 16.652 -9.325 1.00 0.00 C ATOM 0 H ALA A 10 106.843 16.132 -8.189 1.00 0.00 H new ATOM 0 HA ALA A 10 109.282 14.689 -8.437 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.898 16.722 -9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.199 16.290 -10.073 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.591 17.637 -8.978 1.00 0.00 H new ATOM 165 N GLU A 11 109.465 17.181 -6.333 1.00 0.00 N ATOM 166 CA GLU A 11 110.321 17.751 -5.254 1.00 0.00 C ATOM 167 C GLU A 11 110.566 16.731 -4.137 1.00 0.00 C ATOM 168 O GLU A 11 111.670 16.607 -3.640 1.00 0.00 O ATOM 169 CB GLU A 11 109.517 18.937 -4.734 1.00 0.00 C ATOM 170 CG GLU A 11 109.445 20.005 -5.829 1.00 0.00 C ATOM 171 CD GLU A 11 108.564 21.173 -5.371 1.00 0.00 C ATOM 172 OE1 GLU A 11 108.035 21.106 -4.272 1.00 0.00 O ATOM 173 OE2 GLU A 11 108.434 22.117 -6.130 1.00 0.00 O1- ATOM 0 H GLU A 11 108.549 17.619 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 11 111.309 18.034 -5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.514 18.618 -4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 11 109.985 19.346 -3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.447 20.365 -6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 11 109.041 19.572 -6.744 1.00 0.00 H new ATOM 180 N GLU A 12 109.563 15.998 -3.735 1.00 0.00 N ATOM 181 CA GLU A 12 109.777 14.996 -2.650 1.00 0.00 C ATOM 182 C GLU A 12 110.624 13.829 -3.168 1.00 0.00 C ATOM 183 O GLU A 12 111.553 13.383 -2.520 1.00 0.00 O ATOM 184 CB GLU A 12 108.376 14.523 -2.257 1.00 0.00 C ATOM 185 CG GLU A 12 107.622 15.665 -1.565 1.00 0.00 C ATOM 186 CD GLU A 12 106.203 15.211 -1.207 1.00 0.00 C ATOM 187 OE1 GLU A 12 105.933 14.023 -1.301 1.00 0.00 O ATOM 188 OE2 GLU A 12 105.405 16.062 -0.850 1.00 0.00 O1- ATOM 0 H GLU A 12 108.614 16.048 -4.106 1.00 0.00 H new ATOM 0 HA GLU A 12 110.311 15.417 -1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.830 14.197 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.445 13.663 -1.591 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.154 15.970 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.580 16.535 -2.221 1.00 0.00 H new ATOM 195 N GLU A 13 110.324 13.346 -4.345 1.00 0.00 N ATOM 196 CA GLU A 13 111.118 12.227 -4.927 1.00 0.00 C ATOM 197 C GLU A 13 112.541 12.703 -5.245 1.00 0.00 C ATOM 198 O GLU A 13 113.491 11.952 -5.175 1.00 0.00 O ATOM 199 CB GLU A 13 110.394 11.858 -6.223 1.00 0.00 C ATOM 200 CG GLU A 13 109.038 11.219 -5.909 1.00 0.00 C ATOM 201 CD GLU A 13 108.272 10.956 -7.214 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.820 11.218 -8.276 1.00 0.00 O1- ATOM 203 OE2 GLU A 13 107.146 10.494 -7.130 1.00 0.00 O ATOM 0 H GLU A 13 109.559 13.681 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 13 111.199 11.382 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.251 12.749 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 13 111.004 11.167 -6.804 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.183 10.284 -5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.457 11.876 -5.262 1.00 0.00 H new ATOM 210 N LYS A 14 112.697 13.937 -5.626 1.00 0.00 N ATOM 211 CA LYS A 14 114.063 14.432 -5.961 1.00 0.00 C ATOM 212 C LYS A 14 114.956 14.412 -4.716 1.00 0.00 C ATOM 213 O LYS A 14 116.094 13.987 -4.766 1.00 0.00 O ATOM 214 CB LYS A 14 113.865 15.859 -6.467 1.00 0.00 C ATOM 215 CG LYS A 14 115.186 16.389 -7.019 1.00 0.00 C ATOM 216 CD LYS A 14 114.966 17.769 -7.642 1.00 0.00 C ATOM 217 CE LYS A 14 116.290 18.284 -8.212 1.00 0.00 C ATOM 218 NZ LYS A 14 115.983 19.635 -8.759 1.00 0.00 N1+ ATOM 0 H LYS A 14 111.947 14.621 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 14 114.553 13.808 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.100 15.879 -7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.514 16.498 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.926 16.453 -6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.582 15.701 -7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.216 17.709 -8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.585 18.463 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 14 117.057 18.337 -7.439 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.668 17.621 -8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.846 20.049 -9.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.256 19.553 -9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.633 20.248 -7.995 1.00 0.00 H new ATOM 232 N ALA A 15 114.462 14.886 -3.602 1.00 0.00 N ATOM 233 CA ALA A 15 115.306 14.909 -2.370 1.00 0.00 C ATOM 234 C ALA A 15 115.660 13.488 -1.903 1.00 0.00 C ATOM 235 O ALA A 15 116.783 13.226 -1.519 1.00 0.00 O ATOM 236 CB ALA A 15 114.464 15.630 -1.316 1.00 0.00 C ATOM 0 H ALA A 15 113.518 15.256 -3.492 1.00 0.00 H new ATOM 0 HA ALA A 15 116.256 15.412 -2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.021 15.685 -0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.234 16.638 -1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.536 15.081 -1.154 1.00 0.00 H new ATOM 242 N ILE A 16 114.727 12.571 -1.919 1.00 0.00 N ATOM 243 CA ILE A 16 115.053 11.186 -1.456 1.00 0.00 C ATOM 244 C ILE A 16 116.042 10.505 -2.413 1.00 0.00 C ATOM 245 O ILE A 16 116.934 9.792 -1.996 1.00 0.00 O ATOM 246 CB ILE A 16 113.714 10.434 -1.397 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.929 9.083 -0.713 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.167 10.210 -2.806 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.582 8.493 -0.290 1.00 0.00 C ATOM 0 H ILE A 16 113.766 12.716 -2.228 1.00 0.00 H new ATOM 0 HA ILE A 16 115.539 11.194 -0.480 1.00 0.00 H new ATOM 0 HB ILE A 16 112.995 11.028 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.438 8.399 -1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.572 9.205 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.218 9.676 -2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 16 113.012 11.173 -3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.880 9.621 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.743 7.531 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.089 9.173 0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.953 8.354 -1.170 1.00 0.00 H new ATOM 261 N VAL A 17 115.903 10.738 -3.690 1.00 0.00 N ATOM 262 CA VAL A 17 116.847 10.126 -4.665 1.00 0.00 C ATOM 263 C VAL A 17 118.240 10.689 -4.406 1.00 0.00 C ATOM 264 O VAL A 17 119.226 9.980 -4.448 1.00 0.00 O ATOM 265 CB VAL A 17 116.326 10.526 -6.044 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.339 10.124 -7.120 1.00 0.00 C ATOM 267 CG2 VAL A 17 115.006 9.806 -6.306 1.00 0.00 C ATOM 0 H VAL A 17 115.176 11.326 -4.099 1.00 0.00 H new ATOM 0 HA VAL A 17 116.911 9.041 -4.584 1.00 0.00 H new ATOM 0 HB VAL A 17 116.177 11.605 -6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.961 10.412 -8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.287 10.628 -6.934 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.491 9.045 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.627 10.086 -7.289 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.167 8.728 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.280 10.088 -5.544 1.00 0.00 H new ATOM 277 N ASP A 18 118.326 11.961 -4.145 1.00 0.00 N ATOM 278 CA ASP A 18 119.661 12.560 -3.890 1.00 0.00 C ATOM 279 C ASP A 18 120.268 11.894 -2.653 1.00 0.00 C ATOM 280 O ASP A 18 121.454 11.635 -2.592 1.00 0.00 O ATOM 281 CB ASP A 18 119.410 14.055 -3.672 1.00 0.00 C ATOM 282 CG ASP A 18 120.734 14.777 -3.397 1.00 0.00 C ATOM 283 OD1 ASP A 18 121.746 14.105 -3.268 1.00 0.00 O ATOM 284 OD2 ASP A 18 120.712 15.993 -3.319 1.00 0.00 O1- ATOM 0 H ASP A 18 117.537 12.606 -4.098 1.00 0.00 H new ATOM 0 HA ASP A 18 120.363 12.415 -4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.929 14.483 -4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 18 118.728 14.199 -2.834 1.00 0.00 H new ATOM 289 N ALA A 19 119.455 11.595 -1.677 1.00 0.00 N ATOM 290 CA ALA A 19 119.975 10.922 -0.452 1.00 0.00 C ATOM 291 C ALA A 19 120.565 9.553 -0.820 1.00 0.00 C ATOM 292 O ALA A 19 121.571 9.134 -0.281 1.00 0.00 O ATOM 293 CB ALA A 19 118.753 10.757 0.453 1.00 0.00 C ATOM 0 H ALA A 19 118.453 11.787 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 19 120.767 11.491 0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.050 10.267 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.332 11.737 0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 19 118.004 10.149 -0.054 1.00 0.00 H new ATOM 299 N ILE A 20 119.945 8.852 -1.735 1.00 0.00 N ATOM 300 CA ILE A 20 120.466 7.509 -2.141 1.00 0.00 C ATOM 301 C ILE A 20 121.849 7.656 -2.785 1.00 0.00 C ATOM 302 O ILE A 20 122.752 6.884 -2.527 1.00 0.00 O ATOM 303 CB ILE A 20 119.446 6.969 -3.149 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.132 6.682 -2.424 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.966 5.668 -3.773 1.00 0.00 C ATOM 306 CD1 ILE A 20 117.038 6.386 -3.450 1.00 0.00 C ATOM 0 H ILE A 20 119.099 9.151 -2.220 1.00 0.00 H new ATOM 0 HA ILE A 20 120.583 6.835 -1.292 1.00 0.00 H new ATOM 0 HB ILE A 20 119.289 7.709 -3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.253 5.833 -1.751 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.848 7.537 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.236 5.290 -4.488 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.909 5.861 -4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.124 4.927 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 20 116.100 6.181 -2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.911 7.248 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.322 5.518 -4.044 1.00 0.00 H new ATOM 318 N ARG A 21 122.012 8.635 -3.626 1.00 0.00 N ATOM 319 CA ARG A 21 123.328 8.840 -4.295 1.00 0.00 C ATOM 320 C ARG A 21 124.413 9.093 -3.259 1.00 0.00 C ATOM 321 O ARG A 21 125.515 8.589 -3.350 1.00 0.00 O ATOM 322 CB ARG A 21 123.132 10.093 -5.142 1.00 0.00 C ATOM 323 CG ARG A 21 122.216 9.773 -6.318 1.00 0.00 C ATOM 324 CD ARG A 21 121.958 11.044 -7.127 1.00 0.00 C ATOM 325 NE ARG A 21 123.297 11.452 -7.637 1.00 0.00 N ATOM 326 CZ ARG A 21 123.421 12.531 -8.363 1.00 0.00 C ATOM 327 NH1 ARG A 21 123.360 13.709 -7.804 1.00 0.00 N ATOM 328 NH2 ARG A 21 123.612 12.429 -9.650 1.00 0.00 N1+ ATOM 0 H ARG A 21 121.288 9.307 -3.882 1.00 0.00 H new ATOM 0 HA ARG A 21 123.632 7.973 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.700 10.890 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 21 124.094 10.454 -5.505 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.673 9.013 -6.952 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.273 9.362 -5.957 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.263 10.857 -7.946 1.00 0.00 H new ATOM 0 HD3 ARG A 21 121.517 11.824 -6.507 1.00 0.00 H new ATOM 0 HE ARG A 21 124.118 10.888 -7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 21 123.215 13.789 -6.798 1.00 0.00 H new ATOM 0 HH12 ARG A 21 123.457 14.549 -8.374 1.00 0.00 H new ATOM 0 HH21 ARG A 21 123.664 11.509 -10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 21 123.709 13.270 -10.219 1.00 0.00 H new ATOM 342 N ASP A 22 124.101 9.879 -2.277 1.00 0.00 N ATOM 343 CA ASP A 22 125.098 10.192 -1.225 1.00 0.00 C ATOM 344 C ASP A 22 125.451 8.924 -0.437 1.00 0.00 C ATOM 345 O ASP A 22 126.580 8.734 -0.036 1.00 0.00 O ATOM 346 CB ASP A 22 124.391 11.206 -0.325 1.00 0.00 C ATOM 347 CG ASP A 22 124.550 12.614 -0.908 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.399 12.792 -1.769 1.00 0.00 O ATOM 349 OD2 ASP A 22 123.813 13.491 -0.489 1.00 0.00 O1- ATOM 0 H ASP A 22 123.191 10.323 -2.156 1.00 0.00 H new ATOM 0 HA ASP A 22 126.033 10.579 -1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.334 10.955 -0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.810 11.169 0.680 1.00 0.00 H new ATOM 354 N ALA A 23 124.492 8.060 -0.201 1.00 0.00 N ATOM 355 CA ALA A 23 124.799 6.820 0.577 1.00 0.00 C ATOM 356 C ALA A 23 125.774 5.937 -0.204 1.00 0.00 C ATOM 357 O ALA A 23 126.702 5.376 0.352 1.00 0.00 O ATOM 358 CB ALA A 23 123.461 6.110 0.773 1.00 0.00 C ATOM 0 H ALA A 23 123.524 8.158 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 23 125.270 7.046 1.534 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.616 5.191 1.338 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.780 6.762 1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.031 5.870 -0.199 1.00 0.00 H new ATOM 364 N GLU A 24 125.587 5.816 -1.493 1.00 0.00 N ATOM 365 CA GLU A 24 126.521 4.982 -2.305 1.00 0.00 C ATOM 366 C GLU A 24 127.945 5.550 -2.239 1.00 0.00 C ATOM 367 O GLU A 24 128.901 4.871 -2.556 1.00 0.00 O ATOM 368 CB GLU A 24 125.978 5.038 -3.729 1.00 0.00 C ATOM 369 CG GLU A 24 124.622 4.331 -3.770 1.00 0.00 C ATOM 370 CD GLU A 24 124.017 4.429 -5.175 1.00 0.00 C ATOM 371 OE1 GLU A 24 124.665 4.980 -6.052 1.00 0.00 O ATOM 372 OE2 GLU A 24 122.909 3.949 -5.351 1.00 0.00 O1- ATOM 0 H GLU A 24 124.831 6.257 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 24 126.578 3.958 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 24 125.873 6.074 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.674 4.558 -4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.741 3.284 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 24 123.946 4.782 -3.043 1.00 0.00 H new ATOM 379 N LYS A 25 128.103 6.765 -1.778 1.00 0.00 N ATOM 380 CA LYS A 25 129.463 7.320 -1.636 1.00 0.00 C ATOM 381 C LYS A 25 129.971 7.062 -0.201 1.00 0.00 C ATOM 382 O LYS A 25 131.080 7.421 0.143 1.00 0.00 O ATOM 383 CB LYS A 25 129.302 8.806 -1.921 1.00 0.00 C ATOM 384 CG LYS A 25 128.882 8.996 -3.378 1.00 0.00 C ATOM 385 CD LYS A 25 128.573 10.470 -3.621 1.00 0.00 C ATOM 386 CE LYS A 25 128.145 10.677 -5.075 1.00 0.00 C ATOM 387 NZ LYS A 25 127.849 12.132 -5.178 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.345 7.387 -1.497 1.00 0.00 H new ATOM 0 HA LYS A 25 130.191 6.868 -2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.554 9.237 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.239 9.329 -1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.678 8.664 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.006 8.387 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 25 127.781 10.801 -2.949 1.00 0.00 H new ATOM 0 HD3 LYS A 25 129.452 11.076 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 25 128.935 10.384 -5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.269 10.076 -5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 127.548 12.357 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.089 12.380 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 128.704 12.677 -4.946 1.00 0.00 H new ATOM 401 N ASN A 26 129.173 6.430 0.640 1.00 0.00 N ATOM 402 CA ASN A 26 129.611 6.140 2.026 1.00 0.00 C ATOM 403 C ASN A 26 129.774 4.622 2.237 1.00 0.00 C ATOM 404 O ASN A 26 130.357 4.184 3.209 1.00 0.00 O ATOM 405 CB ASN A 26 128.477 6.688 2.894 1.00 0.00 C ATOM 406 CG ASN A 26 128.483 8.217 2.816 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.493 8.814 2.496 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.393 8.881 3.088 1.00 0.00 N ATOM 0 H ASN A 26 128.233 6.106 0.411 1.00 0.00 H new ATOM 0 HA ASN A 26 130.576 6.587 2.265 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.519 6.297 2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.603 6.363 3.927 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.389 9.899 3.032 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.545 8.382 3.357 1.00 0.00 H new ATOM 415 N THR A 27 129.266 3.815 1.335 1.00 0.00 N ATOM 416 CA THR A 27 129.399 2.326 1.486 1.00 0.00 C ATOM 417 C THR A 27 129.358 1.650 0.108 1.00 0.00 C ATOM 418 O THR A 27 128.862 2.204 -0.851 1.00 0.00 O ATOM 419 CB THR A 27 128.191 1.890 2.325 1.00 0.00 C ATOM 420 OG1 THR A 27 128.144 0.466 2.393 1.00 0.00 O ATOM 421 CG2 THR A 27 126.904 2.413 1.683 1.00 0.00 C ATOM 0 H THR A 27 128.765 4.121 0.501 1.00 0.00 H new ATOM 0 HA THR A 27 130.342 2.048 1.957 1.00 0.00 H new ATOM 0 HB THR A 27 128.286 2.298 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.239 0.158 2.177 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.047 2.102 2.281 1.00 0.00 H new ATOM 0 HG22 THR A 27 126.937 3.501 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.810 2.008 0.675 1.00 0.00 H new ATOM 429 N SER A 28 129.844 0.440 0.014 1.00 0.00 N ATOM 430 CA SER A 28 129.791 -0.288 -1.282 1.00 0.00 C ATOM 431 C SER A 28 128.491 -1.109 -1.368 1.00 0.00 C ATOM 432 O SER A 28 128.147 -1.633 -2.411 1.00 0.00 O ATOM 433 CB SER A 28 131.008 -1.211 -1.271 1.00 0.00 C ATOM 434 OG SER A 28 130.774 -2.284 -0.367 1.00 0.00 O ATOM 0 H SER A 28 130.276 -0.074 0.782 1.00 0.00 H new ATOM 0 HA SER A 28 129.803 0.386 -2.138 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.195 -1.598 -2.273 1.00 0.00 H new ATOM 0 HB3 SER A 28 131.897 -0.656 -0.973 1.00 0.00 H new ATOM 0 HG SER A 28 131.552 -2.880 -0.358 1.00 0.00 H new ATOM 440 N GLY A 29 127.760 -1.227 -0.278 1.00 0.00 N ATOM 441 CA GLY A 29 126.499 -2.004 -0.296 1.00 0.00 C ATOM 442 C GLY A 29 125.456 -1.255 -1.115 1.00 0.00 C ATOM 443 O GLY A 29 125.670 -0.131 -1.527 1.00 0.00 O ATOM 0 H GLY A 29 127.995 -0.811 0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.673 -2.991 -0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.138 -2.156 0.721 1.00 0.00 H new ATOM 447 N GLU A 30 124.331 -1.864 -1.366 1.00 0.00 N ATOM 448 CA GLU A 30 123.293 -1.163 -2.179 1.00 0.00 C ATOM 449 C GLU A 30 121.907 -1.233 -1.531 1.00 0.00 C ATOM 450 O GLU A 30 121.464 -2.266 -1.068 1.00 0.00 O ATOM 451 CB GLU A 30 123.300 -1.866 -3.536 1.00 0.00 C ATOM 452 CG GLU A 30 124.629 -1.591 -4.242 1.00 0.00 C ATOM 453 CD GLU A 30 125.657 -2.669 -3.868 1.00 0.00 C ATOM 454 OE1 GLU A 30 125.353 -3.491 -3.017 1.00 0.00 O1- ATOM 455 OE2 GLU A 30 126.733 -2.653 -4.443 1.00 0.00 O ATOM 0 H GLU A 30 124.085 -2.802 -1.050 1.00 0.00 H new ATOM 0 HA GLU A 30 123.517 -0.100 -2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.161 -2.939 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.470 -1.510 -4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 30 124.480 -1.578 -5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.003 -0.607 -3.960 1.00 0.00 H new ATOM 462 N ILE A 31 121.227 -0.117 -1.507 1.00 0.00 N ATOM 463 CA ILE A 31 119.864 -0.052 -0.906 1.00 0.00 C ATOM 464 C ILE A 31 118.853 0.411 -1.963 1.00 0.00 C ATOM 465 O ILE A 31 119.082 1.374 -2.666 1.00 0.00 O ATOM 466 CB ILE A 31 119.991 0.977 0.219 1.00 0.00 C ATOM 467 CG1 ILE A 31 120.988 0.448 1.259 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.623 1.193 0.867 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.316 1.539 2.284 1.00 0.00 C ATOM 0 H ILE A 31 121.566 0.767 -1.886 1.00 0.00 H new ATOM 0 HA ILE A 31 119.514 -1.016 -0.537 1.00 0.00 H new ATOM 0 HB ILE A 31 120.347 1.928 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.569 -0.422 1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 31 121.901 0.119 0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.712 1.926 1.669 1.00 0.00 H new ATOM 0 HG22 ILE A 31 117.919 1.557 0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.261 0.250 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 31 122.024 1.150 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.755 2.397 1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.402 1.847 2.792 1.00 0.00 H new ATOM 481 N ARG A 32 117.727 -0.245 -2.067 1.00 0.00 N ATOM 482 CA ARG A 32 116.704 0.189 -3.065 1.00 0.00 C ATOM 483 C ARG A 32 115.307 0.104 -2.442 1.00 0.00 C ATOM 484 O ARG A 32 115.086 -0.587 -1.468 1.00 0.00 O ATOM 485 CB ARG A 32 116.831 -0.766 -4.262 1.00 0.00 C ATOM 486 CG ARG A 32 115.706 -0.470 -5.265 1.00 0.00 C ATOM 487 CD ARG A 32 115.830 -1.378 -6.490 1.00 0.00 C ATOM 488 NE ARG A 32 117.093 -0.957 -7.161 1.00 0.00 N ATOM 489 CZ ARG A 32 117.105 0.075 -7.965 1.00 0.00 C ATOM 490 NH1 ARG A 32 116.118 0.279 -8.798 1.00 0.00 N ATOM 491 NH2 ARG A 32 118.119 0.897 -7.946 1.00 0.00 N1+ ATOM 0 H ARG A 32 117.472 -1.059 -1.507 1.00 0.00 H new ATOM 0 HA ARG A 32 116.858 1.221 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 32 117.803 -0.642 -4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.771 -1.801 -3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 32 114.737 -0.621 -4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 32 115.750 0.575 -5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 32 115.869 -2.428 -6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 32 114.974 -1.263 -7.154 1.00 0.00 H new ATOM 0 HE ARG A 32 117.954 -1.477 -6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 32 115.331 -0.369 -8.824 1.00 0.00 H new ATOM 0 HH12 ARG A 32 116.135 1.086 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 32 118.897 0.733 -7.307 1.00 0.00 H new ATOM 0 HH22 ARG A 32 118.134 1.703 -8.571 1.00 0.00 H new ATOM 505 N VAL A 33 114.368 0.816 -2.996 1.00 0.00 N ATOM 506 CA VAL A 33 112.985 0.803 -2.437 1.00 0.00 C ATOM 507 C VAL A 33 111.960 0.500 -3.533 1.00 0.00 C ATOM 508 O VAL A 33 112.012 1.048 -4.607 1.00 0.00 O ATOM 509 CB VAL A 33 112.771 2.220 -1.873 1.00 0.00 C ATOM 510 CG1 VAL A 33 113.104 3.269 -2.940 1.00 0.00 C ATOM 511 CG2 VAL A 33 111.311 2.393 -1.433 1.00 0.00 C ATOM 0 H VAL A 33 114.497 1.410 -3.815 1.00 0.00 H new ATOM 0 HA VAL A 33 112.860 0.034 -1.675 1.00 0.00 H new ATOM 0 HB VAL A 33 113.429 2.356 -1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 33 112.949 4.267 -2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 33 114.145 3.160 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 33 112.455 3.127 -3.805 1.00 0.00 H new ATOM 0 HG21 VAL A 33 111.167 3.398 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 33 110.653 2.244 -2.289 1.00 0.00 H new ATOM 0 HG23 VAL A 33 111.074 1.660 -0.662 1.00 0.00 H new ATOM 521 N HIS A 34 110.995 -0.322 -3.229 1.00 0.00 N ATOM 522 CA HIS A 34 109.923 -0.634 -4.213 1.00 0.00 C ATOM 523 C HIS A 34 108.568 -0.247 -3.611 1.00 0.00 C ATOM 524 O HIS A 34 108.212 -0.667 -2.528 1.00 0.00 O ATOM 525 CB HIS A 34 110.006 -2.145 -4.443 1.00 0.00 C ATOM 526 CG HIS A 34 108.887 -2.571 -5.354 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.089 -2.859 -6.695 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.544 -2.746 -5.131 1.00 0.00 C ATOM 529 CE1 HIS A 34 107.895 -3.186 -7.223 1.00 0.00 C ATOM 530 NE2 HIS A 34 106.920 -3.134 -6.312 1.00 0.00 N ATOM 0 H HIS A 34 110.903 -0.796 -2.330 1.00 0.00 H new ATOM 0 HA HIS A 34 110.037 -0.090 -5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 34 110.968 -2.405 -4.884 1.00 0.00 H new ATOM 0 HB3 HIS A 34 109.938 -2.674 -3.492 1.00 0.00 H new ATOM 0 HD1 HIS A 34 109.980 -2.829 -7.191 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.047 -2.604 -4.183 1.00 0.00 H new ATOM 0 HE1 HIS A 34 107.744 -3.457 -8.257 1.00 0.00 H new ATOM 538 N LEU A 35 107.822 0.569 -4.306 1.00 0.00 N ATOM 539 CA LEU A 35 106.492 1.018 -3.792 1.00 0.00 C ATOM 540 C LEU A 35 105.344 0.426 -4.616 1.00 0.00 C ATOM 541 O LEU A 35 105.320 0.499 -5.828 1.00 0.00 O ATOM 542 CB LEU A 35 106.495 2.540 -3.940 1.00 0.00 C ATOM 543 CG LEU A 35 105.235 3.101 -3.279 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.262 2.781 -1.783 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.173 4.619 -3.477 1.00 0.00 C ATOM 0 H LEU A 35 108.078 0.948 -5.217 1.00 0.00 H new ATOM 0 HA LEU A 35 106.342 0.693 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.386 2.963 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.524 2.817 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 35 104.356 2.646 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.365 3.180 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.297 1.701 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.144 3.234 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.273 5.011 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.051 5.081 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.151 4.846 -4.543 1.00 0.00 H new ATOM 557 N GLU A 36 104.373 -0.130 -3.937 1.00 0.00 N ATOM 558 CA GLU A 36 103.175 -0.706 -4.620 1.00 0.00 C ATOM 559 C GLU A 36 101.958 -0.532 -3.704 1.00 0.00 C ATOM 560 O GLU A 36 102.086 -0.197 -2.544 1.00 0.00 O ATOM 561 CB GLU A 36 103.484 -2.185 -4.860 1.00 0.00 C ATOM 562 CG GLU A 36 102.343 -2.825 -5.653 1.00 0.00 C ATOM 563 CD GLU A 36 102.645 -4.308 -5.883 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.798 -4.687 -5.750 1.00 0.00 O1- ATOM 565 OE2 GLU A 36 101.719 -5.038 -6.196 1.00 0.00 O ATOM 0 H GLU A 36 104.360 -0.210 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 36 102.954 -0.213 -5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.422 -2.287 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.612 -2.700 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.404 -2.715 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.221 -2.316 -6.609 1.00 0.00 H new ATOM 572 N LYS A 37 100.773 -0.702 -4.233 1.00 0.00 N ATOM 573 CA LYS A 37 99.550 -0.488 -3.405 1.00 0.00 C ATOM 574 C LYS A 37 99.226 -1.681 -2.497 1.00 0.00 C ATOM 575 O LYS A 37 99.438 -1.633 -1.299 1.00 0.00 O ATOM 576 CB LYS A 37 98.420 -0.260 -4.404 1.00 0.00 C ATOM 577 CG LYS A 37 98.658 1.037 -5.175 1.00 0.00 C ATOM 578 CD LYS A 37 97.535 1.212 -6.197 1.00 0.00 C ATOM 579 CE LYS A 37 97.736 2.511 -6.978 1.00 0.00 C ATOM 580 NZ LYS A 37 96.619 2.523 -7.962 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.601 -0.979 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 37 99.695 0.355 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.361 -1.099 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.465 -0.212 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.681 1.885 -4.490 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.625 1.006 -5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.521 0.365 -6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.570 1.228 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.698 3.380 -6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.705 2.530 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.678 3.383 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.687 1.685 -8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.710 2.509 -7.456 1.00 0.00 H new ATOM 594 N THR A 38 98.713 -2.749 -3.050 1.00 0.00 N ATOM 595 CA THR A 38 98.381 -3.939 -2.207 1.00 0.00 C ATOM 596 C THR A 38 98.768 -5.230 -2.932 1.00 0.00 C ATOM 597 O THR A 38 98.851 -5.279 -4.143 1.00 0.00 O ATOM 598 CB THR A 38 96.867 -3.885 -2.008 1.00 0.00 C ATOM 599 OG1 THR A 38 96.445 -5.046 -1.303 1.00 0.00 O ATOM 600 CG2 THR A 38 96.178 -3.840 -3.372 1.00 0.00 C ATOM 0 H THR A 38 98.510 -2.850 -4.044 1.00 0.00 H new ATOM 0 HA THR A 38 98.920 -3.926 -1.260 1.00 0.00 H new ATOM 0 HB THR A 38 96.603 -2.994 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.474 -5.014 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.098 -3.801 -3.233 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.506 -2.954 -3.916 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.439 -4.732 -3.941 1.00 0.00 H new ATOM 608 N SER A 39 98.990 -6.277 -2.187 1.00 0.00 N ATOM 609 CA SER A 39 99.360 -7.578 -2.798 1.00 0.00 C ATOM 610 C SER A 39 98.177 -8.551 -2.788 1.00 0.00 C ATOM 611 O SER A 39 97.199 -8.347 -2.098 1.00 0.00 O ATOM 612 CB SER A 39 100.468 -8.112 -1.908 1.00 0.00 C ATOM 613 OG SER A 39 100.124 -7.927 -0.546 1.00 0.00 O ATOM 0 H SER A 39 98.929 -6.284 -1.169 1.00 0.00 H new ATOM 0 HA SER A 39 99.662 -7.464 -3.839 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.631 -9.171 -2.110 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.403 -7.598 -2.129 1.00 0.00 H new ATOM 0 HG SER A 39 100.842 -8.275 0.023 1.00 0.00 H new ATOM 619 N GLU A 40 98.280 -9.625 -3.519 1.00 0.00 N ATOM 620 CA GLU A 40 97.186 -10.643 -3.528 1.00 0.00 C ATOM 621 C GLU A 40 97.616 -11.899 -2.744 1.00 0.00 C ATOM 622 O GLU A 40 96.825 -12.791 -2.504 1.00 0.00 O ATOM 623 CB GLU A 40 96.959 -10.969 -5.010 1.00 0.00 C ATOM 624 CG GLU A 40 95.819 -11.985 -5.150 1.00 0.00 C ATOM 625 CD GLU A 40 95.483 -12.188 -6.632 1.00 0.00 C ATOM 626 OE1 GLU A 40 95.902 -11.369 -7.435 1.00 0.00 O ATOM 627 OE2 GLU A 40 94.809 -13.158 -6.937 1.00 0.00 O1- ATOM 0 H GLU A 40 99.078 -9.845 -4.115 1.00 0.00 H new ATOM 0 HA GLU A 40 96.276 -10.278 -3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 40 96.717 -10.059 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 40 97.873 -11.371 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 40 96.109 -12.935 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 40 94.938 -11.633 -4.613 1.00 0.00 H new ATOM 634 N ILE A 41 98.866 -11.978 -2.342 1.00 0.00 N ATOM 635 CA ILE A 41 99.347 -13.169 -1.581 1.00 0.00 C ATOM 636 C ILE A 41 100.079 -12.728 -0.291 1.00 0.00 C ATOM 637 O ILE A 41 99.505 -12.040 0.532 1.00 0.00 O ATOM 638 CB ILE A 41 100.272 -13.903 -2.556 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.361 -12.943 -3.067 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.458 -14.419 -3.740 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.409 -13.735 -3.849 1.00 0.00 C ATOM 0 H ILE A 41 99.573 -11.263 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 41 98.537 -13.816 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 41 100.742 -14.740 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 41 100.917 -12.178 -3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.829 -12.427 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.116 -14.941 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.690 -15.105 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 41 98.986 -13.580 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.181 -13.057 -4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 41 102.860 -14.484 -3.198 1.00 0.00 H new ATOM 0 HD13 ILE A 41 101.934 -14.230 -4.696 1.00 0.00 H new ATOM 653 N ASP A 42 101.333 -13.096 -0.088 1.00 0.00 N ATOM 654 CA ASP A 42 102.038 -12.660 1.146 1.00 0.00 C ATOM 655 C ASP A 42 103.153 -11.663 0.792 1.00 0.00 C ATOM 656 O ASP A 42 103.864 -11.829 -0.176 1.00 0.00 O ATOM 657 CB ASP A 42 102.587 -13.955 1.749 1.00 0.00 C ATOM 658 CG ASP A 42 101.419 -14.832 2.221 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.316 -14.317 2.333 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 101.646 -16.006 2.460 1.00 0.00 O ATOM 0 H ASP A 42 101.883 -13.674 -0.724 1.00 0.00 H new ATOM 0 HA ASP A 42 101.391 -12.140 1.853 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.182 -14.490 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.247 -13.728 2.586 1.00 0.00 H new ATOM 665 N VAL A 43 103.286 -10.610 1.562 1.00 0.00 N ATOM 666 CA VAL A 43 104.326 -9.576 1.256 1.00 0.00 C ATOM 667 C VAL A 43 105.746 -10.157 1.346 1.00 0.00 C ATOM 668 O VAL A 43 106.575 -9.895 0.496 1.00 0.00 O ATOM 669 CB VAL A 43 104.108 -8.449 2.277 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.202 -7.386 2.123 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.747 -7.792 2.023 1.00 0.00 C ATOM 0 H VAL A 43 102.720 -10.421 2.389 1.00 0.00 H new ATOM 0 HA VAL A 43 104.229 -9.208 0.235 1.00 0.00 H new ATOM 0 HB VAL A 43 104.143 -8.869 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.041 -6.590 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.178 -7.841 2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.166 -6.970 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.589 -6.992 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.725 -7.380 1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 43 101.958 -8.537 2.128 1.00 0.00 H new ATOM 681 N PHE A 44 106.041 -10.944 2.348 1.00 0.00 N ATOM 682 CA PHE A 44 107.414 -11.526 2.441 1.00 0.00 C ATOM 683 C PHE A 44 107.713 -12.376 1.195 1.00 0.00 C ATOM 684 O PHE A 44 108.764 -12.240 0.599 1.00 0.00 O ATOM 685 CB PHE A 44 107.417 -12.396 3.700 1.00 0.00 C ATOM 686 CG PHE A 44 108.789 -13.006 3.871 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.872 -12.202 4.251 1.00 0.00 C ATOM 688 CD2 PHE A 44 108.979 -14.374 3.641 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.145 -12.768 4.399 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.250 -14.939 3.790 1.00 0.00 C ATOM 691 CZ PHE A 44 111.334 -14.136 4.169 1.00 0.00 C ATOM 0 H PHE A 44 105.400 -11.207 3.097 1.00 0.00 H new ATOM 0 HA PHE A 44 108.179 -10.751 2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.160 -11.796 4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.664 -13.180 3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.725 -11.147 4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.144 -14.993 3.348 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.981 -12.149 4.691 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.396 -15.994 3.613 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.315 -14.572 4.284 1.00 0.00 H new ATOM 701 N ASP A 45 106.803 -13.219 0.764 1.00 0.00 N ATOM 702 CA ASP A 45 107.080 -14.014 -0.479 1.00 0.00 C ATOM 703 C ASP A 45 107.127 -13.067 -1.680 1.00 0.00 C ATOM 704 O ASP A 45 107.965 -13.223 -2.549 1.00 0.00 O ATOM 705 CB ASP A 45 105.927 -15.015 -0.625 1.00 0.00 C ATOM 706 CG ASP A 45 106.207 -16.271 0.206 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.294 -16.376 0.749 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.327 -17.114 0.276 1.00 0.00 O ATOM 0 H ASP A 45 105.900 -13.390 1.206 1.00 0.00 H new ATOM 0 HA ASP A 45 108.035 -14.537 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 45 104.994 -14.556 -0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 45 105.801 -15.285 -1.674 1.00 0.00 H new ATOM 713 N ARG A 46 106.267 -12.088 -1.745 1.00 0.00 N ATOM 714 CA ARG A 46 106.321 -11.153 -2.907 1.00 0.00 C ATOM 715 C ARG A 46 107.653 -10.410 -2.942 1.00 0.00 C ATOM 716 O ARG A 46 108.262 -10.286 -3.988 1.00 0.00 O ATOM 717 CB ARG A 46 105.171 -10.183 -2.705 1.00 0.00 C ATOM 718 CG ARG A 46 103.865 -10.905 -2.996 1.00 0.00 C ATOM 719 CD ARG A 46 102.716 -9.958 -2.725 1.00 0.00 C ATOM 720 NE ARG A 46 102.905 -8.829 -3.683 1.00 0.00 N ATOM 721 CZ ARG A 46 102.391 -8.880 -4.888 1.00 0.00 C ATOM 722 NH1 ARG A 46 102.024 -10.023 -5.411 1.00 0.00 N ATOM 723 NH2 ARG A 46 102.247 -7.780 -5.579 1.00 0.00 N1+ ATOM 0 H ARG A 46 105.540 -11.895 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 46 106.236 -11.685 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 46 105.173 -9.803 -1.683 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.282 -9.323 -3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 46 103.842 -11.240 -4.033 1.00 0.00 H new ATOM 0 HG3 ARG A 46 103.777 -11.794 -2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 46 101.756 -10.450 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 46 102.731 -9.606 -1.694 1.00 0.00 H new ATOM 0 HE ARG A 46 103.440 -8.009 -3.397 1.00 0.00 H new ATOM 0 HH11 ARG A 46 102.137 -10.886 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 46 101.625 -10.050 -6.349 1.00 0.00 H new ATOM 0 HH21 ARG A 46 102.534 -6.886 -5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 46 101.848 -7.815 -6.517 1.00 0.00 H new ATOM 737 N ALA A 47 108.117 -9.905 -1.830 1.00 0.00 N ATOM 738 CA ALA A 47 109.409 -9.166 -1.849 1.00 0.00 C ATOM 739 C ALA A 47 110.541 -10.082 -2.319 1.00 0.00 C ATOM 740 O ALA A 47 111.377 -9.686 -3.104 1.00 0.00 O ATOM 741 CB ALA A 47 109.639 -8.699 -0.414 1.00 0.00 C ATOM 0 H ALA A 47 107.662 -9.972 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 47 109.385 -8.323 -2.539 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.577 -8.146 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.817 -8.053 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.687 -9.564 0.247 1.00 0.00 H new ATOM 747 N MET A 48 110.566 -11.309 -1.871 1.00 0.00 N ATOM 748 CA MET A 48 111.639 -12.233 -2.334 1.00 0.00 C ATOM 749 C MET A 48 111.515 -12.444 -3.846 1.00 0.00 C ATOM 750 O MET A 48 112.496 -12.423 -4.561 1.00 0.00 O ATOM 751 CB MET A 48 111.421 -13.544 -1.572 1.00 0.00 C ATOM 752 CG MET A 48 112.529 -14.531 -1.946 1.00 0.00 C ATOM 753 SD MET A 48 112.367 -16.040 -0.956 1.00 0.00 S ATOM 754 CE MET A 48 110.949 -16.750 -1.829 1.00 0.00 C ATOM 0 H MET A 48 109.897 -11.707 -1.212 1.00 0.00 H new ATOM 0 HA MET A 48 112.637 -11.838 -2.145 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.428 -13.360 -0.498 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.445 -13.964 -1.817 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.470 -14.773 -3.007 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.505 -14.077 -1.777 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.097 -16.808 -1.152 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.693 -16.120 -2.681 1.00 0.00 H new ATOM 0 HE3 MET A 48 111.202 -17.750 -2.181 1.00 0.00 H new ATOM 764 N ASP A 49 110.321 -12.632 -4.347 1.00 0.00 N ATOM 765 CA ASP A 49 110.169 -12.822 -5.820 1.00 0.00 C ATOM 766 C ASP A 49 110.566 -11.540 -6.562 1.00 0.00 C ATOM 767 O ASP A 49 111.305 -11.579 -7.520 1.00 0.00 O ATOM 768 CB ASP A 49 108.695 -13.168 -6.051 1.00 0.00 C ATOM 769 CG ASP A 49 108.482 -14.673 -5.849 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.463 -15.400 -5.866 1.00 0.00 O1- ATOM 771 OD2 ASP A 49 107.343 -15.071 -5.680 1.00 0.00 O ATOM 0 H ASP A 49 109.456 -12.662 -3.808 1.00 0.00 H new ATOM 0 HA ASP A 49 110.815 -13.614 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.067 -12.606 -5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 49 108.397 -12.880 -7.059 1.00 0.00 H new ATOM 776 N VAL A 50 110.098 -10.402 -6.117 1.00 0.00 N ATOM 777 CA VAL A 50 110.472 -9.120 -6.794 1.00 0.00 C ATOM 778 C VAL A 50 111.968 -8.844 -6.626 1.00 0.00 C ATOM 779 O VAL A 50 112.638 -8.472 -7.572 1.00 0.00 O ATOM 780 CB VAL A 50 109.646 -8.032 -6.107 1.00 0.00 C ATOM 781 CG1 VAL A 50 110.027 -6.664 -6.681 1.00 0.00 C ATOM 782 CG2 VAL A 50 108.157 -8.295 -6.347 1.00 0.00 C ATOM 0 H VAL A 50 109.474 -10.303 -5.316 1.00 0.00 H new ATOM 0 HA VAL A 50 110.273 -9.158 -7.865 1.00 0.00 H new ATOM 0 HB VAL A 50 109.847 -8.043 -5.036 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.439 -5.888 -6.192 1.00 0.00 H new ATOM 0 HG12 VAL A 50 111.087 -6.479 -6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.827 -6.650 -7.752 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.567 -7.520 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.954 -8.284 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.889 -9.269 -5.937 1.00 0.00 H new ATOM 792 N PHE A 51 112.506 -9.023 -5.451 1.00 0.00 N ATOM 793 CA PHE A 51 113.965 -8.764 -5.272 1.00 0.00 C ATOM 794 C PHE A 51 114.757 -9.633 -6.255 1.00 0.00 C ATOM 795 O PHE A 51 115.623 -9.149 -6.956 1.00 0.00 O ATOM 796 CB PHE A 51 114.269 -9.170 -3.820 1.00 0.00 C ATOM 797 CG PHE A 51 115.742 -8.961 -3.509 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.718 -9.777 -4.103 1.00 0.00 C ATOM 799 CD2 PHE A 51 116.133 -7.949 -2.624 1.00 0.00 C ATOM 800 CE1 PHE A 51 118.068 -9.581 -3.821 1.00 0.00 C ATOM 801 CE2 PHE A 51 117.491 -7.755 -2.339 1.00 0.00 C ATOM 802 CZ PHE A 51 118.457 -8.570 -2.941 1.00 0.00 C ATOM 0 H PHE A 51 112.008 -9.333 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 51 114.237 -7.726 -5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.659 -8.581 -3.136 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.003 -10.215 -3.665 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.420 -10.562 -4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 51 115.388 -7.318 -2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.813 -10.211 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 51 117.793 -6.976 -1.654 1.00 0.00 H new ATOM 0 HZ PHE A 51 119.504 -8.416 -2.724 1.00 0.00 H new ATOM 812 N HIS A 52 114.477 -10.908 -6.316 1.00 0.00 N ATOM 813 CA HIS A 52 115.225 -11.787 -7.264 1.00 0.00 C ATOM 814 C HIS A 52 114.766 -11.498 -8.696 1.00 0.00 C ATOM 815 O HIS A 52 115.547 -11.522 -9.625 1.00 0.00 O ATOM 816 CB HIS A 52 114.894 -13.218 -6.837 1.00 0.00 C ATOM 817 CG HIS A 52 115.545 -13.501 -5.509 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.576 -12.791 -4.335 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.302 -14.639 -5.281 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 116.340 -13.471 -3.393 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.754 -14.578 -4.015 1.00 0.00 N flip ATOM 0 H HIS A 52 113.767 -11.377 -5.754 1.00 0.00 H new ATOM 0 HA HIS A 52 116.302 -11.619 -7.241 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.814 -13.347 -6.761 1.00 0.00 H new ATOM 0 HB3 HIS A 52 115.248 -13.925 -7.587 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.494 -15.431 -5.990 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.553 -13.169 -2.378 1.00 0.00 H new ATOM 0 HE2 HIS A 52 117.342 -15.291 -3.583 1.00 0.00 H new ATOM 829 N ASN A 53 113.506 -11.205 -8.874 1.00 0.00 N ATOM 830 CA ASN A 53 112.990 -10.888 -10.240 1.00 0.00 C ATOM 831 C ASN A 53 113.726 -9.665 -10.777 1.00 0.00 C ATOM 832 O ASN A 53 114.110 -9.612 -11.929 1.00 0.00 O ATOM 833 CB ASN A 53 111.513 -10.559 -10.042 1.00 0.00 C ATOM 834 CG ASN A 53 110.906 -10.116 -11.374 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.376 -10.501 -12.426 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.882 -9.310 -11.374 1.00 0.00 N ATOM 0 H ASN A 53 112.808 -11.171 -8.131 1.00 0.00 H new ATOM 0 HA ASN A 53 113.132 -11.708 -10.944 1.00 0.00 H new ATOM 0 HB2 ASN A 53 110.983 -11.432 -9.661 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.402 -9.769 -9.299 1.00 0.00 H new ATOM 0 HD21 ASN A 53 109.475 -9.002 -12.257 1.00 0.00 H new ATOM 0 HD22 ASN A 53 109.487 -8.987 -10.491 1.00 0.00 H new ATOM 843 N LEU A 54 113.964 -8.701 -9.932 1.00 0.00 N ATOM 844 CA LEU A 54 114.717 -7.494 -10.364 1.00 0.00 C ATOM 845 C LEU A 54 116.230 -7.796 -10.394 1.00 0.00 C ATOM 846 O LEU A 54 117.030 -6.917 -10.651 1.00 0.00 O ATOM 847 CB LEU A 54 114.399 -6.429 -9.313 1.00 0.00 C ATOM 848 CG LEU A 54 112.914 -6.066 -9.376 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.555 -5.191 -8.174 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.630 -5.299 -10.670 1.00 0.00 C ATOM 0 H LEU A 54 113.667 -8.699 -8.956 1.00 0.00 H new ATOM 0 HA LEU A 54 114.439 -7.168 -11.366 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.650 -6.799 -8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 54 115.007 -5.541 -9.486 1.00 0.00 H new ATOM 0 HG LEU A 54 112.315 -6.976 -9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.497 -4.931 -8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.758 -5.737 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.154 -4.280 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.572 -5.040 -10.715 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.228 -4.388 -10.691 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.888 -5.922 -11.526 1.00 0.00 H new ATOM 862 N LYS A 55 116.627 -9.028 -10.140 1.00 0.00 N ATOM 863 CA LYS A 55 118.060 -9.398 -10.167 1.00 0.00 C ATOM 864 C LYS A 55 118.875 -8.530 -9.211 1.00 0.00 C ATOM 865 O LYS A 55 120.031 -8.250 -9.456 1.00 0.00 O ATOM 866 CB LYS A 55 118.507 -9.188 -11.615 1.00 0.00 C ATOM 867 CG LYS A 55 117.864 -10.240 -12.521 1.00 0.00 C ATOM 868 CD LYS A 55 118.255 -9.956 -13.974 1.00 0.00 C ATOM 869 CE LYS A 55 117.654 -11.021 -14.894 1.00 0.00 C ATOM 870 NZ LYS A 55 118.112 -10.642 -16.260 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.996 -9.796 -9.913 1.00 0.00 H new ATOM 0 HA LYS A 55 118.213 -10.427 -9.842 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.227 -8.189 -11.949 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.593 -9.254 -11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.193 -11.238 -12.231 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.780 -10.218 -12.412 1.00 0.00 H new ATOM 0 HD2 LYS A 55 117.901 -8.968 -14.268 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.341 -9.949 -14.073 1.00 0.00 H new ATOM 0 HE2 LYS A 55 117.999 -12.019 -14.623 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.566 -11.032 -14.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 117.742 -11.324 -16.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 117.763 -9.690 -16.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.152 -10.647 -16.291 1.00 0.00 H new ATOM 884 N MET A 56 118.298 -8.118 -8.113 1.00 0.00 N ATOM 885 CA MET A 56 119.077 -7.290 -7.147 1.00 0.00 C ATOM 886 C MET A 56 120.210 -8.128 -6.534 1.00 0.00 C ATOM 887 O MET A 56 121.112 -7.598 -5.915 1.00 0.00 O ATOM 888 CB MET A 56 118.076 -6.851 -6.076 1.00 0.00 C ATOM 889 CG MET A 56 117.080 -5.856 -6.672 1.00 0.00 C ATOM 890 SD MET A 56 117.933 -4.313 -7.088 1.00 0.00 S ATOM 891 CE MET A 56 118.091 -3.669 -5.401 1.00 0.00 C ATOM 0 H MET A 56 117.334 -8.316 -7.846 1.00 0.00 H new ATOM 0 HA MET A 56 119.542 -6.428 -7.625 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.546 -7.719 -5.684 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.603 -6.394 -5.239 1.00 0.00 H new ATOM 0 HG2 MET A 56 116.618 -6.279 -7.564 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.278 -5.659 -5.961 1.00 0.00 H new ATOM 0 HE1 MET A 56 118.348 -2.610 -5.438 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.145 -3.794 -4.874 1.00 0.00 H new ATOM 0 HE3 MET A 56 118.875 -4.214 -4.875 1.00 0.00 H new ATOM 901 N ASP A 57 120.201 -9.425 -6.728 1.00 0.00 N ATOM 902 CA ASP A 57 121.305 -10.260 -6.186 1.00 0.00 C ATOM 903 C ASP A 57 122.540 -10.162 -7.109 1.00 0.00 C ATOM 904 O ASP A 57 123.578 -10.728 -6.826 1.00 0.00 O ATOM 905 CB ASP A 57 120.744 -11.682 -6.171 1.00 0.00 C ATOM 906 CG ASP A 57 120.340 -12.099 -7.594 1.00 0.00 C ATOM 907 OD1 ASP A 57 120.531 -11.311 -8.511 1.00 0.00 O ATOM 908 OD2 ASP A 57 119.839 -13.200 -7.743 1.00 0.00 O1- ATOM 0 H ASP A 57 119.478 -9.934 -7.236 1.00 0.00 H new ATOM 0 HA ASP A 57 121.628 -9.942 -5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 57 121.490 -12.373 -5.778 1.00 0.00 H new ATOM 0 HB3 ASP A 57 119.880 -11.735 -5.508 1.00 0.00 H new ATOM 913 N ASN A 58 122.442 -9.426 -8.200 1.00 0.00 N ATOM 914 CA ASN A 58 123.600 -9.266 -9.117 1.00 0.00 C ATOM 915 C ASN A 58 124.578 -8.251 -8.534 1.00 0.00 C ATOM 916 O ASN A 58 124.806 -7.194 -9.090 1.00 0.00 O ATOM 917 CB ASN A 58 123.002 -8.726 -10.419 1.00 0.00 C ATOM 918 CG ASN A 58 124.100 -8.636 -11.484 1.00 0.00 C ATOM 919 OD1 ASN A 58 124.450 -7.559 -11.924 1.00 0.00 O ATOM 920 ND2 ASN A 58 124.666 -9.731 -11.916 1.00 0.00 N ATOM 0 H ASN A 58 121.598 -8.930 -8.486 1.00 0.00 H new ATOM 0 HA ASN A 58 124.142 -10.199 -9.270 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.200 -9.379 -10.762 1.00 0.00 H new ATOM 0 HB3 ASN A 58 122.562 -7.743 -10.250 1.00 0.00 H new ATOM 0 HD21 ASN A 58 125.401 -9.681 -12.622 1.00 0.00 H new ATOM 0 HD22 ASN A 58 124.373 -10.636 -11.548 1.00 0.00 H new ATOM 927 N THR A 59 125.176 -8.579 -7.427 1.00 0.00 N ATOM 928 CA THR A 59 126.167 -7.655 -6.815 1.00 0.00 C ATOM 929 C THR A 59 127.391 -8.458 -6.384 1.00 0.00 C ATOM 930 O THR A 59 127.306 -9.631 -6.077 1.00 0.00 O ATOM 931 CB THR A 59 125.456 -7.030 -5.616 1.00 0.00 C ATOM 932 OG1 THR A 59 125.080 -8.056 -4.714 1.00 0.00 O ATOM 933 CG2 THR A 59 124.210 -6.287 -6.093 1.00 0.00 C ATOM 0 H THR A 59 125.021 -9.449 -6.918 1.00 0.00 H new ATOM 0 HA THR A 59 126.512 -6.882 -7.501 1.00 0.00 H new ATOM 0 HB THR A 59 126.124 -6.328 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.625 -7.661 -3.941 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.703 -5.841 -5.238 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.499 -5.503 -6.793 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.537 -6.986 -6.590 1.00 0.00 H new ATOM 941 N LYS A 60 128.535 -7.838 -6.398 1.00 0.00 N ATOM 942 CA LYS A 60 129.786 -8.557 -6.033 1.00 0.00 C ATOM 943 C LYS A 60 129.779 -9.023 -4.572 1.00 0.00 C ATOM 944 O LYS A 60 130.178 -10.130 -4.270 1.00 0.00 O ATOM 945 CB LYS A 60 130.903 -7.541 -6.262 1.00 0.00 C ATOM 946 CG LYS A 60 132.257 -8.215 -6.040 1.00 0.00 C ATOM 947 CD LYS A 60 133.380 -7.212 -6.340 1.00 0.00 C ATOM 948 CE LYS A 60 134.755 -7.866 -6.141 1.00 0.00 C ATOM 949 NZ LYS A 60 134.900 -8.060 -4.667 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.659 -6.857 -6.648 1.00 0.00 H new ATOM 0 HA LYS A 60 129.908 -9.461 -6.630 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.845 -7.142 -7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 60 130.788 -6.698 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 60 132.335 -8.569 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 60 132.352 -9.088 -6.686 1.00 0.00 H new ATOM 0 HD2 LYS A 60 133.288 -6.850 -7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 60 133.285 -6.345 -5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 60 134.816 -8.818 -6.669 1.00 0.00 H new ATOM 0 HE3 LYS A 60 135.551 -7.232 -6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 135.906 -8.176 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 134.520 -7.230 -4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 134.376 -8.909 -4.375 1.00 0.00 H new ATOM 963 N LEU A 61 129.337 -8.194 -3.654 1.00 0.00 N ATOM 964 CA LEU A 61 129.326 -8.622 -2.221 1.00 0.00 C ATOM 965 C LEU A 61 127.950 -9.154 -1.804 1.00 0.00 C ATOM 966 O LEU A 61 127.763 -9.545 -0.670 1.00 0.00 O ATOM 967 CB LEU A 61 129.683 -7.381 -1.391 1.00 0.00 C ATOM 968 CG LEU A 61 131.092 -6.890 -1.736 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.389 -5.597 -0.963 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.113 -7.961 -1.343 1.00 0.00 C ATOM 0 H LEU A 61 128.988 -7.252 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 61 130.038 -9.432 -2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 61 128.959 -6.589 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.624 -7.618 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 61 131.157 -6.697 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.392 -5.248 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.662 -4.833 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.325 -5.790 0.108 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.117 -7.614 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.046 -8.152 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.904 -8.881 -1.889 1.00 0.00 H new ATOM 982 N GLN A 62 126.990 -9.177 -2.699 1.00 0.00 N ATOM 983 CA GLN A 62 125.638 -9.702 -2.345 1.00 0.00 C ATOM 984 C GLN A 62 125.039 -8.940 -1.159 1.00 0.00 C ATOM 985 O GLN A 62 124.514 -9.502 -0.222 1.00 0.00 O ATOM 986 CB GLN A 62 125.854 -11.187 -2.008 1.00 0.00 C ATOM 987 CG GLN A 62 126.211 -11.950 -3.285 1.00 0.00 C ATOM 988 CD GLN A 62 126.521 -13.409 -2.943 1.00 0.00 C ATOM 989 OE1 GLN A 62 126.399 -13.818 -1.806 1.00 0.00 O ATOM 990 NE2 GLN A 62 126.918 -14.220 -3.888 1.00 0.00 N ATOM 0 H GLN A 62 127.088 -8.853 -3.661 1.00 0.00 H new ATOM 0 HA GLN A 62 124.929 -9.576 -3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.652 -11.292 -1.273 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.952 -11.605 -1.561 1.00 0.00 H new ATOM 0 HG2 GLN A 62 125.384 -11.900 -3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 62 127.072 -11.488 -3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 62 127.021 -13.878 -4.843 1.00 0.00 H new ATOM 0 HE22 GLN A 62 127.125 -15.195 -3.670 1.00 0.00 H new ATOM 999 N ASN A 63 125.140 -7.637 -1.236 1.00 0.00 N ATOM 1000 CA ASN A 63 124.611 -6.720 -0.187 1.00 0.00 C ATOM 1001 C ASN A 63 123.564 -5.775 -0.792 1.00 0.00 C ATOM 1002 O ASN A 63 123.636 -4.571 -0.639 1.00 0.00 O ATOM 1003 CB ASN A 63 125.826 -5.921 0.294 1.00 0.00 C ATOM 1004 CG ASN A 63 126.753 -6.827 1.105 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.310 -7.782 1.709 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.031 -6.566 1.144 1.00 0.00 N ATOM 0 H ASN A 63 125.586 -7.155 -2.016 1.00 0.00 H new ATOM 0 HA ASN A 63 124.128 -7.262 0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.362 -5.508 -0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.500 -5.079 0.904 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.658 -7.165 1.682 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.403 -5.763 0.636 1.00 0.00 H new ATOM 1013 N GLY A 64 122.577 -6.318 -1.458 1.00 0.00 N ATOM 1014 CA GLY A 64 121.507 -5.464 -2.053 1.00 0.00 C ATOM 1015 C GLY A 64 120.262 -5.526 -1.158 1.00 0.00 C ATOM 1016 O GLY A 64 119.905 -6.572 -0.652 1.00 0.00 O ATOM 0 H GLY A 64 122.466 -7.320 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 64 121.854 -4.435 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.265 -5.809 -3.058 1.00 0.00 H new ATOM 1020 N VAL A 65 119.607 -4.414 -0.947 1.00 0.00 N ATOM 1021 CA VAL A 65 118.396 -4.423 -0.069 1.00 0.00 C ATOM 1022 C VAL A 65 117.186 -3.828 -0.798 1.00 0.00 C ATOM 1023 O VAL A 65 117.271 -2.800 -1.438 1.00 0.00 O ATOM 1024 CB VAL A 65 118.793 -3.562 1.137 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.586 -3.279 2.047 1.00 0.00 C ATOM 1026 CG2 VAL A 65 119.858 -4.299 1.943 1.00 0.00 C ATOM 0 H VAL A 65 119.854 -3.506 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 65 118.102 -5.431 0.223 1.00 0.00 H new ATOM 0 HB VAL A 65 119.175 -2.610 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 65 117.903 -2.667 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 65 116.820 -2.749 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.179 -4.221 2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.147 -3.694 2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.458 -5.253 2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.731 -4.477 1.315 1.00 0.00 H new ATOM 1036 N LEU A 66 116.050 -4.467 -0.677 1.00 0.00 N ATOM 1037 CA LEU A 66 114.820 -3.943 -1.333 1.00 0.00 C ATOM 1038 C LEU A 66 113.782 -3.571 -0.265 1.00 0.00 C ATOM 1039 O LEU A 66 113.427 -4.374 0.579 1.00 0.00 O ATOM 1040 CB LEU A 66 114.313 -5.114 -2.181 1.00 0.00 C ATOM 1041 CG LEU A 66 113.096 -4.678 -3.008 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.513 -3.631 -4.043 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.512 -5.892 -3.736 1.00 0.00 C ATOM 0 H LEU A 66 115.924 -5.331 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 66 115.005 -3.049 -1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.105 -5.464 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.043 -5.950 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 66 112.349 -4.250 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.643 -3.328 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.930 -2.762 -3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.264 -4.056 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.648 -5.583 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.267 -6.317 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.205 -6.641 -3.006 1.00 0.00 H new ATOM 1055 N ILE A 67 113.295 -2.361 -0.299 1.00 0.00 N ATOM 1056 CA ILE A 67 112.276 -1.959 0.716 1.00 0.00 C ATOM 1057 C ILE A 67 110.886 -1.991 0.080 1.00 0.00 C ATOM 1058 O ILE A 67 110.535 -1.143 -0.712 1.00 0.00 O ATOM 1059 CB ILE A 67 112.656 -0.541 1.154 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.008 -0.570 1.872 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.588 0.016 2.096 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.481 0.863 2.124 1.00 0.00 C ATOM 0 H ILE A 67 113.553 -1.641 -0.974 1.00 0.00 H new ATOM 0 HA ILE A 67 112.253 -2.632 1.573 1.00 0.00 H new ATOM 0 HB ILE A 67 112.726 0.098 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 67 113.919 -1.107 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.741 -1.106 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 67 111.864 1.024 2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.628 0.044 1.581 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.510 -0.623 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.444 0.844 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.586 1.384 1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 67 113.751 1.383 2.744 1.00 0.00 H new ATOM 1074 N TYR A 68 110.095 -2.973 0.418 1.00 0.00 N ATOM 1075 CA TYR A 68 108.729 -3.074 -0.174 1.00 0.00 C ATOM 1076 C TYR A 68 107.716 -2.355 0.720 1.00 0.00 C ATOM 1077 O TYR A 68 107.596 -2.635 1.895 1.00 0.00 O ATOM 1078 CB TYR A 68 108.439 -4.578 -0.196 1.00 0.00 C ATOM 1079 CG TYR A 68 107.221 -4.862 -1.047 1.00 0.00 C ATOM 1080 CD1 TYR A 68 105.937 -4.654 -0.527 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.378 -5.334 -2.356 1.00 0.00 C ATOM 1082 CE1 TYR A 68 104.811 -4.918 -1.316 1.00 0.00 C ATOM 1083 CE2 TYR A 68 106.251 -5.599 -3.145 1.00 0.00 C ATOM 1084 CZ TYR A 68 104.968 -5.391 -2.625 1.00 0.00 C ATOM 1085 OH TYR A 68 103.857 -5.650 -3.402 1.00 0.00 O ATOM 0 H TYR A 68 110.336 -3.711 1.080 1.00 0.00 H new ATOM 0 HA TYR A 68 108.663 -2.620 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.301 -5.116 -0.590 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.275 -4.939 0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 68 105.816 -4.290 0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.368 -5.494 -2.757 1.00 0.00 H new ATOM 0 HE1 TYR A 68 103.821 -4.757 -0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 68 106.372 -5.964 -4.154 1.00 0.00 H new ATOM 0 HH TYR A 68 104.107 -5.626 -4.349 1.00 0.00 H new ATOM 1095 N VAL A 69 107.011 -1.403 0.170 1.00 0.00 N ATOM 1096 CA VAL A 69 106.029 -0.632 0.985 1.00 0.00 C ATOM 1097 C VAL A 69 104.620 -0.707 0.368 1.00 0.00 C ATOM 1098 O VAL A 69 104.422 -0.448 -0.801 1.00 0.00 O ATOM 1099 CB VAL A 69 106.563 0.807 0.946 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.555 1.764 1.589 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.892 0.879 1.705 1.00 0.00 C ATOM 0 H VAL A 69 107.073 -1.126 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 69 105.934 -1.019 1.999 1.00 0.00 H new ATOM 0 HB VAL A 69 106.716 1.100 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.946 2.781 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.612 1.719 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.389 1.474 2.626 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.272 1.900 1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.736 0.577 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.615 0.211 1.237 1.00 0.00 H new ATOM 1111 N ALA A 70 103.643 -1.031 1.176 1.00 0.00 N ATOM 1112 CA ALA A 70 102.231 -1.105 0.694 1.00 0.00 C ATOM 1113 C ALA A 70 101.474 0.150 1.143 1.00 0.00 C ATOM 1114 O ALA A 70 101.200 0.324 2.313 1.00 0.00 O ATOM 1115 CB ALA A 70 101.653 -2.339 1.388 1.00 0.00 C ATOM 0 H ALA A 70 103.766 -1.251 2.164 1.00 0.00 H new ATOM 0 HA ALA A 70 102.156 -1.167 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.613 -2.470 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.227 -3.220 1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.707 -2.207 2.469 1.00 0.00 H new ATOM 1121 N VAL A 71 101.147 1.033 0.240 1.00 0.00 N ATOM 1122 CA VAL A 71 100.429 2.275 0.655 1.00 0.00 C ATOM 1123 C VAL A 71 98.947 1.998 0.952 1.00 0.00 C ATOM 1124 O VAL A 71 98.306 2.767 1.643 1.00 0.00 O ATOM 1125 CB VAL A 71 100.583 3.243 -0.518 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.071 3.456 -0.805 1.00 0.00 C ATOM 1127 CG2 VAL A 71 99.901 2.656 -1.753 1.00 0.00 C ATOM 0 H VAL A 71 101.343 0.952 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 71 100.843 2.685 1.576 1.00 0.00 H new ATOM 0 HB VAL A 71 100.120 4.198 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.185 4.146 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.556 3.872 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 71 102.533 2.501 -1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.010 3.345 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.364 1.702 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 71 98.842 2.502 -1.545 1.00 0.00 H new ATOM 1137 N GLU A 72 98.392 0.912 0.468 1.00 0.00 N ATOM 1138 CA GLU A 72 96.955 0.629 0.779 1.00 0.00 C ATOM 1139 C GLU A 72 96.820 0.271 2.263 1.00 0.00 C ATOM 1140 O GLU A 72 95.969 0.782 2.964 1.00 0.00 O ATOM 1141 CB GLU A 72 96.569 -0.570 -0.087 1.00 0.00 C ATOM 1142 CG GLU A 72 96.652 -0.184 -1.563 1.00 0.00 C ATOM 1143 CD GLU A 72 95.676 0.959 -1.846 1.00 0.00 C ATOM 1144 OE1 GLU A 72 94.747 1.125 -1.071 1.00 0.00 O ATOM 1145 OE2 GLU A 72 95.880 1.656 -2.825 1.00 0.00 O1- ATOM 0 H GLU A 72 98.861 0.221 -0.118 1.00 0.00 H new ATOM 0 HA GLU A 72 96.314 1.487 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.234 -1.409 0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.559 -0.898 0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.668 0.121 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.413 -1.044 -2.189 1.00 0.00 H new ATOM 1152 N ASP A 73 97.670 -0.593 2.744 1.00 0.00 N ATOM 1153 CA ASP A 73 97.620 -0.982 4.185 1.00 0.00 C ATOM 1154 C ASP A 73 98.713 -0.261 4.986 1.00 0.00 C ATOM 1155 O ASP A 73 98.858 -0.473 6.175 1.00 0.00 O ATOM 1156 CB ASP A 73 97.855 -2.492 4.199 1.00 0.00 C ATOM 1157 CG ASP A 73 96.620 -3.216 3.657 1.00 0.00 C ATOM 1158 OD1 ASP A 73 95.578 -2.587 3.559 1.00 0.00 O ATOM 1159 OD2 ASP A 73 96.735 -4.393 3.354 1.00 0.00 O1- ATOM 0 H ASP A 73 98.402 -1.050 2.200 1.00 0.00 H new ATOM 0 HA ASP A 73 96.669 -0.709 4.644 1.00 0.00 H new ATOM 0 HB2 ASP A 73 98.727 -2.739 3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.067 -2.827 5.214 1.00 0.00 H new ATOM 1164 N LYS A 74 99.493 0.584 4.353 1.00 0.00 N ATOM 1165 CA LYS A 74 100.576 1.301 5.086 1.00 0.00 C ATOM 1166 C LYS A 74 101.519 0.309 5.764 1.00 0.00 C ATOM 1167 O LYS A 74 101.847 0.455 6.924 1.00 0.00 O ATOM 1168 CB LYS A 74 99.873 2.150 6.144 1.00 0.00 C ATOM 1169 CG LYS A 74 100.672 3.436 6.354 1.00 0.00 C ATOM 1170 CD LYS A 74 99.906 4.370 7.288 1.00 0.00 C ATOM 1171 CE LYS A 74 100.663 5.690 7.430 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.845 6.499 8.375 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.423 0.806 3.360 1.00 0.00 H new ATOM 0 HA LYS A 74 101.176 1.907 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.857 2.384 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.794 1.597 7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.649 3.204 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.848 3.927 5.397 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.906 4.553 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.784 3.903 8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.670 5.529 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.767 6.192 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 100.013 7.511 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.837 6.286 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 100.113 6.267 9.353 1.00 0.00 H new ATOM 1186 N THR A 75 101.960 -0.698 5.061 1.00 0.00 N ATOM 1187 CA THR A 75 102.884 -1.682 5.695 1.00 0.00 C ATOM 1188 C THR A 75 104.226 -1.680 4.962 1.00 0.00 C ATOM 1189 O THR A 75 104.295 -1.778 3.754 1.00 0.00 O ATOM 1190 CB THR A 75 102.175 -3.034 5.579 1.00 0.00 C ATOM 1191 OG1 THR A 75 100.907 -2.951 6.211 1.00 0.00 O ATOM 1192 CG2 THR A 75 103.012 -4.119 6.257 1.00 0.00 C ATOM 0 H THR A 75 101.724 -0.882 4.086 1.00 0.00 H new ATOM 0 HA THR A 75 103.102 -1.446 6.737 1.00 0.00 H new ATOM 0 HB THR A 75 102.047 -3.287 4.527 1.00 0.00 H new ATOM 0 HG1 THR A 75 100.448 -3.814 6.138 1.00 0.00 H new ATOM 0 HG21 THR A 75 102.502 -5.079 6.171 1.00 0.00 H new ATOM 0 HG22 THR A 75 103.987 -4.182 5.774 1.00 0.00 H new ATOM 0 HG23 THR A 75 103.144 -3.871 7.310 1.00 0.00 H new ATOM 1200 N PHE A 76 105.294 -1.556 5.702 1.00 0.00 N ATOM 1201 CA PHE A 76 106.650 -1.529 5.083 1.00 0.00 C ATOM 1202 C PHE A 76 107.439 -2.788 5.465 1.00 0.00 C ATOM 1203 O PHE A 76 107.407 -3.231 6.594 1.00 0.00 O ATOM 1204 CB PHE A 76 107.317 -0.272 5.665 1.00 0.00 C ATOM 1205 CG PHE A 76 107.511 -0.422 7.162 1.00 0.00 C ATOM 1206 CD1 PHE A 76 108.678 -1.017 7.656 1.00 0.00 C ATOM 1207 CD2 PHE A 76 106.528 0.033 8.051 1.00 0.00 C ATOM 1208 CE1 PHE A 76 108.864 -1.159 9.036 1.00 0.00 C ATOM 1209 CE2 PHE A 76 106.714 -0.109 9.432 1.00 0.00 C ATOM 1210 CZ PHE A 76 107.882 -0.704 9.925 1.00 0.00 C ATOM 0 H PHE A 76 105.285 -1.471 6.718 1.00 0.00 H new ATOM 0 HA PHE A 76 106.610 -1.507 3.994 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.280 -0.107 5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 76 106.702 0.603 5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 76 109.436 -1.367 6.971 1.00 0.00 H new ATOM 0 HD2 PHE A 76 105.627 0.493 7.672 1.00 0.00 H new ATOM 0 HE1 PHE A 76 109.764 -1.619 9.415 1.00 0.00 H new ATOM 0 HE2 PHE A 76 105.956 0.241 10.117 1.00 0.00 H new ATOM 0 HZ PHE A 76 108.025 -0.812 10.990 1.00 0.00 H new ATOM 1220 N VAL A 77 108.155 -3.357 4.532 1.00 0.00 N ATOM 1221 CA VAL A 77 108.958 -4.577 4.837 1.00 0.00 C ATOM 1222 C VAL A 77 110.399 -4.362 4.350 1.00 0.00 C ATOM 1223 O VAL A 77 110.616 -3.864 3.263 1.00 0.00 O ATOM 1224 CB VAL A 77 108.264 -5.706 4.063 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.146 -6.961 4.043 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.937 -6.035 4.754 1.00 0.00 C ATOM 0 H VAL A 77 108.218 -3.028 3.569 1.00 0.00 H new ATOM 0 HA VAL A 77 109.012 -4.807 5.901 1.00 0.00 H new ATOM 0 HB VAL A 77 108.089 -5.382 3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.640 -7.753 3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.095 -6.731 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.330 -7.293 5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.434 -6.836 4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.129 -6.354 5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.302 -5.149 4.763 1.00 0.00 H new ATOM 1236 N ILE A 78 111.382 -4.745 5.122 1.00 0.00 N ATOM 1237 CA ILE A 78 112.786 -4.557 4.661 1.00 0.00 C ATOM 1238 C ILE A 78 113.462 -5.920 4.431 1.00 0.00 C ATOM 1239 O ILE A 78 113.434 -6.794 5.274 1.00 0.00 O ATOM 1240 CB ILE A 78 113.472 -3.784 5.785 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.751 -2.451 5.997 1.00 0.00 C ATOM 1242 CG2 ILE A 78 114.924 -3.507 5.390 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.213 -1.823 7.314 1.00 0.00 C ATOM 0 H ILE A 78 111.275 -5.175 6.041 1.00 0.00 H new ATOM 0 HA ILE A 78 112.843 -4.022 3.713 1.00 0.00 H new ATOM 0 HB ILE A 78 113.441 -4.370 6.704 1.00 0.00 H new ATOM 0 HG12 ILE A 78 112.961 -1.776 5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.673 -2.608 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.419 -2.955 6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.443 -4.451 5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 78 114.946 -2.917 4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.699 -0.874 7.464 1.00 0.00 H new ATOM 0 HD12 ILE A 78 112.981 -2.496 8.139 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.289 -1.651 7.278 1.00 0.00 H new ATOM 1255 N TYR A 79 114.049 -6.101 3.279 1.00 0.00 N ATOM 1256 CA TYR A 79 114.720 -7.402 2.954 1.00 0.00 C ATOM 1257 C TYR A 79 116.113 -7.163 2.370 1.00 0.00 C ATOM 1258 O TYR A 79 116.266 -6.585 1.314 1.00 0.00 O ATOM 1259 CB TYR A 79 113.809 -8.051 1.911 1.00 0.00 C ATOM 1260 CG TYR A 79 114.246 -9.477 1.640 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.409 -10.379 2.702 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.466 -9.902 0.323 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.795 -11.702 2.444 1.00 0.00 C ATOM 1264 CE2 TYR A 79 114.848 -11.227 0.067 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.013 -12.125 1.128 1.00 0.00 C ATOM 1266 OH TYR A 79 115.384 -13.430 0.875 1.00 0.00 O ATOM 0 H TYR A 79 114.095 -5.400 2.540 1.00 0.00 H new ATOM 0 HA TYR A 79 114.858 -8.027 3.837 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.778 -8.041 2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.836 -7.474 0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.237 -10.055 3.718 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.341 -9.209 -0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.924 -12.395 3.262 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.015 -11.554 -0.949 1.00 0.00 H new ATOM 0 HH TYR A 79 115.494 -13.558 -0.090 1.00 0.00 H new ATOM 1276 N GLY A 80 117.133 -7.612 3.053 1.00 0.00 N ATOM 1277 CA GLY A 80 118.515 -7.421 2.545 1.00 0.00 C ATOM 1278 C GLY A 80 118.984 -8.720 1.895 1.00 0.00 C ATOM 1279 O GLY A 80 118.349 -9.751 2.005 1.00 0.00 O ATOM 0 H GLY A 80 117.064 -8.104 3.944 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.542 -6.606 1.822 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.182 -7.145 3.361 1.00 0.00 H new ATOM 1283 N ASP A 81 120.083 -8.664 1.205 1.00 0.00 N ATOM 1284 CA ASP A 81 120.604 -9.877 0.518 1.00 0.00 C ATOM 1285 C ASP A 81 121.353 -10.773 1.517 1.00 0.00 C ATOM 1286 O ASP A 81 121.467 -10.457 2.684 1.00 0.00 O ATOM 1287 CB ASP A 81 121.549 -9.320 -0.553 1.00 0.00 C ATOM 1288 CG ASP A 81 121.960 -10.419 -1.536 1.00 0.00 C ATOM 1289 OD1 ASP A 81 121.423 -11.511 -1.435 1.00 0.00 O ATOM 1290 OD2 ASP A 81 122.812 -10.156 -2.369 1.00 0.00 O1- ATOM 0 H ASP A 81 120.649 -7.824 1.085 1.00 0.00 H new ATOM 0 HA ASP A 81 119.818 -10.498 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 81 121.059 -8.509 -1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.436 -8.899 -0.079 1.00 0.00 H new ATOM 1295 N LYS A 82 121.845 -11.896 1.069 1.00 0.00 N ATOM 1296 CA LYS A 82 122.573 -12.823 1.976 1.00 0.00 C ATOM 1297 C LYS A 82 123.845 -12.169 2.532 1.00 0.00 C ATOM 1298 O LYS A 82 124.300 -12.495 3.610 1.00 0.00 O ATOM 1299 CB LYS A 82 122.920 -14.026 1.098 1.00 0.00 C ATOM 1300 CG LYS A 82 121.641 -14.791 0.750 1.00 0.00 C ATOM 1301 CD LYS A 82 121.985 -15.971 -0.161 1.00 0.00 C ATOM 1302 CE LYS A 82 120.706 -16.722 -0.535 1.00 0.00 C ATOM 1303 NZ LYS A 82 121.151 -17.787 -1.478 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.772 -12.212 0.102 1.00 0.00 H new ATOM 0 HA LYS A 82 121.975 -13.101 2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.416 -13.693 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.618 -14.681 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 82 121.159 -15.149 1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.932 -14.129 0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.485 -15.614 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.679 -16.643 0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 82 120.226 -17.149 0.346 1.00 0.00 H new ATOM 0 HE3 LYS A 82 119.980 -16.058 -1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.329 -18.348 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.598 -17.350 -2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 121.837 -18.408 -1.002 1.00 0.00 H new ATOM 1317 N GLY A 83 124.431 -11.262 1.796 1.00 0.00 N ATOM 1318 CA GLY A 83 125.683 -10.604 2.271 1.00 0.00 C ATOM 1319 C GLY A 83 125.410 -9.762 3.514 1.00 0.00 C ATOM 1320 O GLY A 83 126.043 -9.947 4.541 1.00 0.00 O ATOM 0 H GLY A 83 124.096 -10.948 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 83 126.435 -11.360 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 83 126.091 -9.974 1.481 1.00 0.00 H new ATOM 1324 N ILE A 84 124.463 -8.857 3.460 1.00 0.00 N ATOM 1325 CA ILE A 84 124.174 -8.050 4.670 1.00 0.00 C ATOM 1326 C ILE A 84 123.674 -9.002 5.753 1.00 0.00 C ATOM 1327 O ILE A 84 124.096 -8.951 6.871 1.00 0.00 O ATOM 1328 CB ILE A 84 123.085 -7.068 4.240 1.00 0.00 C ATOM 1329 CG1 ILE A 84 123.654 -6.080 3.219 1.00 0.00 C ATOM 1330 CG2 ILE A 84 122.579 -6.295 5.453 1.00 0.00 C ATOM 1331 CD1 ILE A 84 122.508 -5.297 2.592 1.00 0.00 C ATOM 0 H ILE A 84 123.890 -8.650 2.642 1.00 0.00 H new ATOM 0 HA ILE A 84 125.037 -7.514 5.066 1.00 0.00 H new ATOM 0 HB ILE A 84 122.262 -7.625 3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 84 124.354 -5.399 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 84 124.211 -6.614 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.803 -5.596 5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 84 122.168 -6.992 6.183 1.00 0.00 H new ATOM 0 HG23 ILE A 84 123.404 -5.743 5.903 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.906 -4.591 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.826 -5.986 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 84 121.971 -4.753 3.369 1.00 0.00 H new ATOM 1343 N ASN A 85 122.766 -9.871 5.424 1.00 0.00 N ATOM 1344 CA ASN A 85 122.209 -10.800 6.453 1.00 0.00 C ATOM 1345 C ASN A 85 123.297 -11.690 7.054 1.00 0.00 C ATOM 1346 O ASN A 85 123.289 -11.978 8.235 1.00 0.00 O ATOM 1347 CB ASN A 85 121.183 -11.653 5.701 1.00 0.00 C ATOM 1348 CG ASN A 85 119.973 -10.795 5.324 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.729 -9.767 5.925 1.00 0.00 O ATOM 1350 ND2 ASN A 85 119.199 -11.176 4.343 1.00 0.00 N ATOM 0 H ASN A 85 122.381 -9.982 4.486 1.00 0.00 H new ATOM 0 HA ASN A 85 121.770 -10.252 7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.635 -12.075 4.803 1.00 0.00 H new ATOM 0 HB3 ASN A 85 120.867 -12.491 6.323 1.00 0.00 H new ATOM 0 HD21 ASN A 85 118.391 -10.611 4.082 1.00 0.00 H new ATOM 0 HD22 ASN A 85 119.403 -12.038 3.838 1.00 0.00 H new ATOM 1357 N ASP A 86 124.225 -12.138 6.261 1.00 0.00 N ATOM 1358 CA ASP A 86 125.303 -13.021 6.791 1.00 0.00 C ATOM 1359 C ASP A 86 126.288 -12.260 7.690 1.00 0.00 C ATOM 1360 O ASP A 86 126.950 -12.849 8.524 1.00 0.00 O ATOM 1361 CB ASP A 86 126.024 -13.535 5.544 1.00 0.00 C ATOM 1362 CG ASP A 86 127.087 -14.563 5.945 1.00 0.00 C ATOM 1363 OD1 ASP A 86 127.066 -15.003 7.085 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 127.903 -14.895 5.103 1.00 0.00 O ATOM 0 H ASP A 86 124.286 -11.931 5.264 1.00 0.00 H new ATOM 0 HA ASP A 86 124.890 -13.817 7.411 1.00 0.00 H new ATOM 0 HB2 ASP A 86 125.307 -13.988 4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 86 126.490 -12.704 5.014 1.00 0.00 H new ATOM 1369 N VAL A 87 126.422 -10.969 7.520 1.00 0.00 N ATOM 1370 CA VAL A 87 127.401 -10.214 8.365 1.00 0.00 C ATOM 1371 C VAL A 87 126.710 -9.384 9.466 1.00 0.00 C ATOM 1372 O VAL A 87 127.354 -8.969 10.409 1.00 0.00 O ATOM 1373 CB VAL A 87 128.153 -9.301 7.388 1.00 0.00 C ATOM 1374 CG1 VAL A 87 128.770 -10.137 6.263 1.00 0.00 C ATOM 1375 CG2 VAL A 87 127.188 -8.284 6.785 1.00 0.00 C ATOM 0 H VAL A 87 125.904 -10.410 6.842 1.00 0.00 H new ATOM 0 HA VAL A 87 128.065 -10.897 8.894 1.00 0.00 H new ATOM 0 HB VAL A 87 128.943 -8.780 7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 87 129.302 -9.482 5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 87 129.466 -10.860 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 87 127.981 -10.664 5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 87 127.727 -7.638 6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 87 126.395 -8.807 6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 87 126.753 -7.679 7.581 1.00 0.00 H new ATOM 1385 N VAL A 88 125.424 -9.126 9.373 1.00 0.00 N ATOM 1386 CA VAL A 88 124.764 -8.310 10.451 1.00 0.00 C ATOM 1387 C VAL A 88 123.676 -9.117 11.178 1.00 0.00 C ATOM 1388 O VAL A 88 123.244 -10.155 10.717 1.00 0.00 O ATOM 1389 CB VAL A 88 124.146 -7.092 9.758 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.217 -6.338 8.965 1.00 0.00 C ATOM 1391 CG2 VAL A 88 123.031 -7.538 8.827 1.00 0.00 C ATOM 0 H VAL A 88 124.814 -9.436 8.617 1.00 0.00 H new ATOM 0 HA VAL A 88 125.493 -8.015 11.206 1.00 0.00 H new ATOM 0 HB VAL A 88 123.734 -6.426 10.516 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.767 -5.474 8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 88 126.003 -6.003 9.642 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.645 -6.999 8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.596 -6.667 8.337 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.435 -8.214 8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.262 -8.053 9.402 1.00 0.00 H new ATOM 1401 N SER A 89 123.259 -8.655 12.326 1.00 0.00 N ATOM 1402 CA SER A 89 122.228 -9.402 13.111 1.00 0.00 C ATOM 1403 C SER A 89 120.871 -8.682 13.138 1.00 0.00 C ATOM 1404 O SER A 89 120.737 -7.553 12.704 1.00 0.00 O ATOM 1405 CB SER A 89 122.817 -9.485 14.519 1.00 0.00 C ATOM 1406 OG SER A 89 122.454 -8.325 15.259 1.00 0.00 O ATOM 0 H SER A 89 123.587 -7.791 12.757 1.00 0.00 H new ATOM 0 HA SER A 89 122.024 -10.377 12.669 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.452 -10.379 15.024 1.00 0.00 H new ATOM 0 HB3 SER A 89 123.902 -9.569 14.465 1.00 0.00 H new ATOM 0 HG SER A 89 122.831 -8.381 16.162 1.00 0.00 H new ATOM 1412 N ASP A 90 119.868 -9.331 13.673 1.00 0.00 N ATOM 1413 CA ASP A 90 118.521 -8.698 13.757 1.00 0.00 C ATOM 1414 C ASP A 90 118.617 -7.403 14.571 1.00 0.00 C ATOM 1415 O ASP A 90 117.985 -6.415 14.256 1.00 0.00 O ATOM 1416 CB ASP A 90 117.637 -9.727 14.470 1.00 0.00 C ATOM 1417 CG ASP A 90 116.207 -9.187 14.610 1.00 0.00 C ATOM 1418 OD1 ASP A 90 115.965 -8.065 14.190 1.00 0.00 O ATOM 1419 OD2 ASP A 90 115.377 -9.904 15.145 1.00 0.00 O1- ATOM 0 H ASP A 90 119.926 -10.275 14.056 1.00 0.00 H new ATOM 0 HA ASP A 90 118.116 -8.437 12.779 1.00 0.00 H new ATOM 0 HB2 ASP A 90 117.628 -10.661 13.909 1.00 0.00 H new ATOM 0 HB3 ASP A 90 118.048 -9.951 15.455 1.00 0.00 H new ATOM 1424 N ASP A 91 119.426 -7.388 15.599 1.00 0.00 N ATOM 1425 CA ASP A 91 119.580 -6.137 16.402 1.00 0.00 C ATOM 1426 C ASP A 91 120.126 -5.032 15.502 1.00 0.00 C ATOM 1427 O ASP A 91 119.687 -3.901 15.552 1.00 0.00 O ATOM 1428 CB ASP A 91 120.569 -6.478 17.515 1.00 0.00 C ATOM 1429 CG ASP A 91 119.815 -7.103 18.689 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.678 -6.717 18.907 1.00 0.00 O ATOM 1431 OD2 ASP A 91 120.384 -7.957 19.348 1.00 0.00 O1- ATOM 0 H ASP A 91 119.983 -8.181 15.916 1.00 0.00 H new ATOM 0 HA ASP A 91 118.636 -5.785 16.819 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.326 -7.169 17.145 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.091 -5.578 17.841 1.00 0.00 H new ATOM 1436 N PHE A 92 121.045 -5.361 14.641 1.00 0.00 N ATOM 1437 CA PHE A 92 121.570 -4.339 13.699 1.00 0.00 C ATOM 1438 C PHE A 92 120.441 -3.887 12.763 1.00 0.00 C ATOM 1439 O PHE A 92 120.461 -2.799 12.219 1.00 0.00 O ATOM 1440 CB PHE A 92 122.690 -5.033 12.925 1.00 0.00 C ATOM 1441 CG PHE A 92 123.199 -4.117 11.842 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.206 -3.194 12.132 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.658 -4.187 10.553 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.676 -2.337 11.132 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.128 -3.331 9.551 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.138 -2.406 9.841 1.00 0.00 C ATOM 0 H PHE A 92 121.454 -6.291 14.549 1.00 0.00 H new ATOM 0 HA PHE A 92 121.944 -3.449 14.206 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.502 -5.299 13.601 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.322 -5.961 12.487 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.621 -3.142 13.128 1.00 0.00 H new ATOM 0 HD2 PHE A 92 121.878 -4.901 10.332 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.454 -1.622 11.355 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.712 -3.384 8.556 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.503 -1.745 9.068 1.00 0.00 H new ATOM 1456 N TRP A 93 119.468 -4.735 12.567 1.00 0.00 N ATOM 1457 CA TRP A 93 118.334 -4.407 11.666 1.00 0.00 C ATOM 1458 C TRP A 93 117.228 -3.654 12.418 1.00 0.00 C ATOM 1459 O TRP A 93 116.436 -2.931 11.836 1.00 0.00 O ATOM 1460 CB TRP A 93 117.837 -5.778 11.215 1.00 0.00 C ATOM 1461 CG TRP A 93 118.438 -6.110 9.892 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.717 -6.503 9.681 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.798 -6.089 8.592 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.894 -6.714 8.321 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.740 -6.469 7.612 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.499 -5.773 8.179 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.404 -6.531 6.261 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.153 -5.838 6.828 1.00 0.00 C ATOM 1469 CH2 TRP A 93 117.099 -6.216 5.870 1.00 0.00 C ATOM 0 H TRP A 93 119.413 -5.656 13.002 1.00 0.00 H new ATOM 0 HA TRP A 93 118.625 -3.759 10.840 1.00 0.00 H new ATOM 0 HB2 TRP A 93 118.108 -6.536 11.951 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.749 -5.778 11.143 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.472 -6.631 10.443 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.772 -7.014 7.898 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.760 -5.477 8.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.141 -6.818 5.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.147 -5.594 6.520 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.821 -6.265 4.827 1.00 0.00 H new ATOM 1480 N ASP A 94 117.137 -3.867 13.699 1.00 0.00 N ATOM 1481 CA ASP A 94 116.048 -3.226 14.489 1.00 0.00 C ATOM 1482 C ASP A 94 116.087 -1.701 14.387 1.00 0.00 C ATOM 1483 O ASP A 94 115.048 -1.066 14.400 1.00 0.00 O ATOM 1484 CB ASP A 94 116.281 -3.662 15.936 1.00 0.00 C ATOM 1485 CG ASP A 94 115.636 -5.029 16.172 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.784 -5.408 15.384 1.00 0.00 O ATOM 1487 OD2 ASP A 94 116.003 -5.676 17.140 1.00 0.00 O1- ATOM 0 H ASP A 94 117.771 -4.459 14.236 1.00 0.00 H new ATOM 0 HA ASP A 94 115.071 -3.529 14.113 1.00 0.00 H new ATOM 0 HB2 ASP A 94 117.350 -3.713 16.143 1.00 0.00 H new ATOM 0 HB3 ASP A 94 115.858 -2.926 16.620 1.00 0.00 H new ATOM 1492 N THR A 95 117.247 -1.093 14.300 1.00 0.00 N ATOM 1493 CA THR A 95 117.264 0.398 14.212 1.00 0.00 C ATOM 1494 C THR A 95 116.626 0.827 12.886 1.00 0.00 C ATOM 1495 O THR A 95 115.998 1.862 12.772 1.00 0.00 O ATOM 1496 CB THR A 95 118.732 0.815 14.309 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.327 0.172 15.428 1.00 0.00 O ATOM 1498 CG2 THR A 95 118.819 2.331 14.485 1.00 0.00 C ATOM 0 H THR A 95 118.158 -1.551 14.286 1.00 0.00 H new ATOM 0 HA THR A 95 116.693 0.876 15.008 1.00 0.00 H new ATOM 0 HB THR A 95 119.257 0.526 13.399 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.269 0.435 15.494 1.00 0.00 H new ATOM 0 HG21 THR A 95 119.865 2.630 14.554 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.357 2.824 13.630 1.00 0.00 H new ATOM 0 HG23 THR A 95 118.297 2.622 15.397 1.00 0.00 H new ATOM 1506 N THR A 96 116.810 0.010 11.884 1.00 0.00 N ATOM 1507 CA THR A 96 116.253 0.294 10.524 1.00 0.00 C ATOM 1508 C THR A 96 114.727 0.392 10.549 1.00 0.00 C ATOM 1509 O THR A 96 114.125 1.310 10.023 1.00 0.00 O ATOM 1510 CB THR A 96 116.621 -0.957 9.724 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.979 -1.292 9.969 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.422 -0.675 8.236 1.00 0.00 C ATOM 0 H THR A 96 117.334 -0.862 11.950 1.00 0.00 H new ATOM 0 HA THR A 96 116.636 1.233 10.124 1.00 0.00 H new ATOM 0 HB THR A 96 115.985 -1.789 10.027 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.215 -2.094 9.458 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.683 -1.563 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.380 -0.415 8.051 1.00 0.00 H new ATOM 0 HG23 THR A 96 117.062 0.154 7.934 1.00 0.00 H new ATOM 1520 N ARG A 97 114.112 -0.589 11.152 1.00 0.00 N ATOM 1521 CA ARG A 97 112.624 -0.647 11.232 1.00 0.00 C ATOM 1522 C ARG A 97 112.052 0.451 12.128 1.00 0.00 C ATOM 1523 O ARG A 97 111.006 1.001 11.839 1.00 0.00 O ATOM 1524 CB ARG A 97 112.329 -2.030 11.814 1.00 0.00 C ATOM 1525 CG ARG A 97 112.666 -3.090 10.761 1.00 0.00 C ATOM 1526 CD ARG A 97 112.411 -4.489 11.329 1.00 0.00 C ATOM 1527 NE ARG A 97 112.758 -5.419 10.219 1.00 0.00 N ATOM 1528 CZ ARG A 97 112.591 -6.705 10.367 1.00 0.00 C ATOM 1529 NH1 ARG A 97 112.784 -7.259 11.532 1.00 0.00 N ATOM 1530 NH2 ARG A 97 112.224 -7.436 9.350 1.00 0.00 N1+ ATOM 0 H ARG A 97 114.589 -1.370 11.602 1.00 0.00 H new ATOM 0 HA ARG A 97 112.164 -0.490 10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.918 -2.193 12.716 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.280 -2.103 12.101 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.060 -2.934 9.869 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.709 -2.996 10.458 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.026 -4.677 12.209 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.372 -4.608 11.635 1.00 0.00 H new ATOM 0 HE ARG A 97 113.127 -5.051 9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 97 113.066 -6.687 12.328 1.00 0.00 H new ATOM 0 HH12 ARG A 97 112.653 -8.264 11.647 1.00 0.00 H new ATOM 0 HH21 ARG A 97 112.068 -7.002 8.440 1.00 0.00 H new ATOM 0 HH22 ARG A 97 112.093 -8.441 9.465 1.00 0.00 H new ATOM 1544 N ASN A 98 112.701 0.768 13.214 1.00 0.00 N ATOM 1545 CA ASN A 98 112.146 1.825 14.108 1.00 0.00 C ATOM 1546 C ASN A 98 112.121 3.178 13.388 1.00 0.00 C ATOM 1547 O ASN A 98 111.136 3.887 13.432 1.00 0.00 O ATOM 1548 CB ASN A 98 113.074 1.852 15.316 1.00 0.00 C ATOM 1549 CG ASN A 98 112.729 0.682 16.237 1.00 0.00 C ATOM 1550 OD1 ASN A 98 111.638 0.151 16.177 1.00 0.00 O ATOM 1551 ND2 ASN A 98 113.619 0.251 17.086 1.00 0.00 N ATOM 0 H ASN A 98 113.579 0.348 13.519 1.00 0.00 H new ATOM 0 HA ASN A 98 111.117 1.621 14.403 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.113 1.783 14.994 1.00 0.00 H new ATOM 0 HB3 ASN A 98 112.968 2.796 15.851 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.400 -0.533 17.701 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.535 0.697 17.136 1.00 0.00 H new ATOM 1558 N ALA A 99 113.183 3.547 12.725 1.00 0.00 N ATOM 1559 CA ALA A 99 113.199 4.861 12.012 1.00 0.00 C ATOM 1560 C ALA A 99 112.124 4.927 10.920 1.00 0.00 C ATOM 1561 O ALA A 99 111.349 5.863 10.867 1.00 0.00 O ATOM 1562 CB ALA A 99 114.586 4.934 11.376 1.00 0.00 C ATOM 0 H ALA A 99 114.039 2.999 12.645 1.00 0.00 H new ATOM 0 HA ALA A 99 112.993 5.686 12.694 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.687 5.871 10.829 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.347 4.885 12.155 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.716 4.098 10.689 1.00 0.00 H new ATOM 1568 N ILE A 100 112.055 3.949 10.057 1.00 0.00 N ATOM 1569 CA ILE A 100 111.013 3.985 8.989 1.00 0.00 C ATOM 1570 C ILE A 100 109.630 3.877 9.633 1.00 0.00 C ATOM 1571 O ILE A 100 108.702 4.557 9.251 1.00 0.00 O ATOM 1572 CB ILE A 100 111.295 2.784 8.079 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.636 2.981 7.367 1.00 0.00 C ATOM 1574 CG2 ILE A 100 110.193 2.675 7.021 1.00 0.00 C ATOM 1575 CD1 ILE A 100 113.019 1.690 6.640 1.00 0.00 C ATOM 0 H ILE A 100 112.668 3.134 10.044 1.00 0.00 H new ATOM 0 HA ILE A 100 111.036 4.912 8.416 1.00 0.00 H new ATOM 0 HB ILE A 100 111.325 1.878 8.685 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.566 3.805 6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.408 3.248 8.089 1.00 0.00 H new ATOM 0 HG21 ILE A 100 110.393 1.821 6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 100 109.229 2.540 7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 100 110.171 3.586 6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.974 1.828 6.132 1.00 0.00 H new ATOM 0 HD12 ILE A 100 113.106 0.878 7.362 1.00 0.00 H new ATOM 0 HD13 ILE A 100 112.251 1.443 5.907 1.00 0.00 H new ATOM 1587 N GLN A 101 109.495 3.024 10.608 1.00 0.00 N ATOM 1588 CA GLN A 101 108.177 2.856 11.289 1.00 0.00 C ATOM 1589 C GLN A 101 107.756 4.145 12.012 1.00 0.00 C ATOM 1590 O GLN A 101 106.604 4.529 11.992 1.00 0.00 O ATOM 1591 CB GLN A 101 108.412 1.741 12.305 1.00 0.00 C ATOM 1592 CG GLN A 101 107.118 1.465 13.070 1.00 0.00 C ATOM 1593 CD GLN A 101 107.331 0.279 14.012 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.280 -0.464 13.865 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.481 0.070 14.979 1.00 0.00 N ATOM 0 H GLN A 101 110.244 2.431 10.966 1.00 0.00 H new ATOM 0 HA GLN A 101 107.382 2.626 10.580 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.746 0.836 11.797 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.203 2.028 12.999 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.823 2.347 13.638 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.309 1.249 12.373 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.684 0.695 15.102 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.613 -0.718 15.613 1.00 0.00 H new ATOM 1604 N LEU A 102 108.676 4.802 12.666 1.00 0.00 N ATOM 1605 CA LEU A 102 108.327 6.050 13.413 1.00 0.00 C ATOM 1606 C LEU A 102 107.815 7.141 12.467 1.00 0.00 C ATOM 1607 O LEU A 102 106.854 7.833 12.760 1.00 0.00 O ATOM 1608 CB LEU A 102 109.640 6.490 14.066 1.00 0.00 C ATOM 1609 CG LEU A 102 109.432 7.797 14.843 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.554 7.541 16.073 1.00 0.00 C ATOM 1611 CD2 LEU A 102 110.792 8.337 15.296 1.00 0.00 C ATOM 0 H LEU A 102 109.658 4.529 12.717 1.00 0.00 H new ATOM 0 HA LEU A 102 107.532 5.877 14.138 1.00 0.00 H new ATOM 0 HB2 LEU A 102 109.999 5.711 14.739 1.00 0.00 H new ATOM 0 HB3 LEU A 102 110.406 6.630 13.303 1.00 0.00 H new ATOM 0 HG LEU A 102 108.940 8.524 14.197 1.00 0.00 H new ATOM 0 HD11 LEU A 102 108.411 8.474 16.619 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.586 7.155 15.755 1.00 0.00 H new ATOM 0 HD13 LEU A 102 109.040 6.812 16.721 1.00 0.00 H new ATOM 0 HD21 LEU A 102 110.649 9.266 15.848 1.00 0.00 H new ATOM 0 HD22 LEU A 102 111.279 7.604 15.939 1.00 0.00 H new ATOM 0 HD23 LEU A 102 111.417 8.527 14.423 1.00 0.00 H new ATOM 1623 N GLN A 103 108.443 7.298 11.333 1.00 0.00 N ATOM 1624 CA GLN A 103 107.975 8.351 10.389 1.00 0.00 C ATOM 1625 C GLN A 103 106.700 7.867 9.699 1.00 0.00 C ATOM 1626 O GLN A 103 105.742 8.601 9.548 1.00 0.00 O ATOM 1627 CB GLN A 103 109.121 8.551 9.412 1.00 0.00 C ATOM 1628 CG GLN A 103 110.360 9.025 10.175 1.00 0.00 C ATOM 1629 CD GLN A 103 110.096 10.410 10.770 1.00 0.00 C ATOM 1630 OE1 GLN A 103 109.825 11.351 10.052 1.00 0.00 O ATOM 1631 NE2 GLN A 103 110.160 10.574 12.064 1.00 0.00 N ATOM 0 H GLN A 103 109.247 6.752 11.023 1.00 0.00 H new ATOM 0 HA GLN A 103 107.727 9.294 10.876 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.336 7.618 8.890 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.844 9.284 8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 103 110.604 8.318 10.968 1.00 0.00 H new ATOM 0 HG3 GLN A 103 111.220 9.063 9.506 1.00 0.00 H new ATOM 0 HE21 GLN A 103 110.388 9.784 12.668 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.982 11.492 12.471 1.00 0.00 H new ATOM 1640 N PHE A 104 106.665 6.616 9.317 1.00 0.00 N ATOM 1641 CA PHE A 104 105.433 6.072 8.683 1.00 0.00 C ATOM 1642 C PHE A 104 104.285 6.230 9.670 1.00 0.00 C ATOM 1643 O PHE A 104 103.177 6.585 9.318 1.00 0.00 O ATOM 1644 CB PHE A 104 105.722 4.591 8.436 1.00 0.00 C ATOM 1645 CG PHE A 104 106.073 4.390 6.982 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.359 4.694 6.518 1.00 0.00 C ATOM 1647 CD2 PHE A 104 105.105 3.903 6.093 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.675 4.512 5.167 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.422 3.720 4.743 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.707 4.025 4.278 1.00 0.00 C ATOM 0 H PHE A 104 107.434 5.953 9.417 1.00 0.00 H new ATOM 0 HA PHE A 104 105.166 6.579 7.756 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.543 4.258 9.070 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.852 3.990 8.699 1.00 0.00 H new ATOM 0 HD1 PHE A 104 108.106 5.069 7.202 1.00 0.00 H new ATOM 0 HD2 PHE A 104 104.113 3.669 6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.666 4.747 4.809 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.676 3.343 4.059 1.00 0.00 H new ATOM 0 HZ PHE A 104 106.952 3.885 3.235 1.00 0.00 H new ATOM 1660 N LYS A 105 104.564 5.967 10.917 1.00 0.00 N ATOM 1661 CA LYS A 105 103.523 6.096 11.963 1.00 0.00 C ATOM 1662 C LYS A 105 103.003 7.533 11.990 1.00 0.00 C ATOM 1663 O LYS A 105 101.829 7.771 12.185 1.00 0.00 O ATOM 1664 CB LYS A 105 104.243 5.748 13.265 1.00 0.00 C ATOM 1665 CG LYS A 105 103.245 5.714 14.419 1.00 0.00 C ATOM 1666 CD LYS A 105 103.956 5.221 15.679 1.00 0.00 C ATOM 1667 CE LYS A 105 102.956 5.154 16.837 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.759 4.730 18.018 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.478 5.666 11.254 1.00 0.00 H new ATOM 0 HA LYS A 105 102.662 5.450 11.794 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.736 4.780 13.171 1.00 0.00 H new ATOM 0 HB3 LYS A 105 105.021 6.484 13.468 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.829 6.708 14.586 1.00 0.00 H new ATOM 0 HG3 LYS A 105 102.411 5.056 14.176 1.00 0.00 H new ATOM 0 HD2 LYS A 105 104.391 4.237 15.503 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.777 5.892 15.932 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.485 6.122 17.008 1.00 0.00 H new ATOM 0 HE3 LYS A 105 102.157 4.443 16.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 103.141 4.662 18.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 104.190 3.802 17.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.507 5.429 18.198 1.00 0.00 H new ATOM 1682 N GLN A 106 103.859 8.498 11.760 1.00 0.00 N ATOM 1683 CA GLN A 106 103.393 9.910 11.741 1.00 0.00 C ATOM 1684 C GLN A 106 102.690 10.210 10.411 1.00 0.00 C ATOM 1685 O GLN A 106 101.992 11.197 10.283 1.00 0.00 O ATOM 1686 CB GLN A 106 104.671 10.738 11.869 1.00 0.00 C ATOM 1687 CG GLN A 106 104.312 12.218 11.951 1.00 0.00 C ATOM 1688 CD GLN A 106 105.567 13.025 12.284 1.00 0.00 C ATOM 1689 OE1 GLN A 106 105.643 13.638 13.433 1.00 0.00 O flip ATOM 1690 NE2 GLN A 106 106.493 13.084 11.499 1.00 0.00 N flip ATOM 0 H GLN A 106 104.855 8.365 11.586 1.00 0.00 H new ATOM 0 HA GLN A 106 102.680 10.129 12.536 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.224 10.437 12.759 1.00 0.00 H new ATOM 0 HB3 GLN A 106 105.321 10.557 11.013 1.00 0.00 H new ATOM 0 HG2 GLN A 106 103.890 12.555 11.004 1.00 0.00 H new ATOM 0 HG3 GLN A 106 103.550 12.377 12.714 1.00 0.00 H new ATOM 0 HE21 GLN A 106 106.432 12.604 10.601 1.00 0.00 H new ATOM 0 HE22 GLN A 106 107.331 13.613 11.738 1.00 0.00 H new ATOM 1699 N GLY A 107 102.862 9.375 9.419 1.00 0.00 N ATOM 1700 CA GLY A 107 102.194 9.631 8.112 1.00 0.00 C ATOM 1701 C GLY A 107 103.194 10.188 7.089 1.00 0.00 C ATOM 1702 O GLY A 107 102.827 10.517 5.978 1.00 0.00 O ATOM 0 H GLY A 107 103.434 8.531 9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.757 8.706 7.734 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.375 10.337 8.249 1.00 0.00 H new ATOM 1706 N ASN A 108 104.453 10.294 7.436 1.00 0.00 N ATOM 1707 CA ASN A 108 105.451 10.823 6.460 1.00 0.00 C ATOM 1708 C ASN A 108 106.265 9.672 5.845 1.00 0.00 C ATOM 1709 O ASN A 108 107.291 9.271 6.361 1.00 0.00 O ATOM 1710 CB ASN A 108 106.359 11.749 7.278 1.00 0.00 C ATOM 1711 CG ASN A 108 105.551 12.938 7.808 1.00 0.00 C ATOM 1712 OD1 ASN A 108 105.581 13.231 8.987 1.00 0.00 O ATOM 1713 ND2 ASN A 108 104.832 13.646 6.981 1.00 0.00 N ATOM 0 H ASN A 108 104.830 10.038 8.349 1.00 0.00 H new ATOM 0 HA ASN A 108 104.975 11.348 5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.800 11.199 8.109 1.00 0.00 H new ATOM 0 HB3 ASN A 108 107.182 12.105 6.659 1.00 0.00 H new ATOM 0 HD21 ASN A 108 104.297 14.443 7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 108 104.805 13.402 5.991 1.00 0.00 H new ATOM 1720 N PHE A 109 105.809 9.145 4.735 1.00 0.00 N ATOM 1721 CA PHE A 109 106.540 8.023 4.059 1.00 0.00 C ATOM 1722 C PHE A 109 107.946 8.442 3.640 1.00 0.00 C ATOM 1723 O PHE A 109 108.897 7.713 3.834 1.00 0.00 O ATOM 1724 CB PHE A 109 105.710 7.714 2.797 1.00 0.00 C ATOM 1725 CG PHE A 109 104.302 7.230 3.143 1.00 0.00 C ATOM 1726 CD1 PHE A 109 103.998 6.710 4.416 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.295 7.304 2.170 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.709 6.274 4.710 1.00 0.00 C ATOM 1729 CE2 PHE A 109 102.001 6.866 2.468 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.708 6.352 3.739 1.00 0.00 C ATOM 0 H PHE A 109 104.956 9.445 4.263 1.00 0.00 H new ATOM 0 HA PHE A 109 106.648 7.168 4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.644 8.609 2.178 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.220 6.954 2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.770 6.649 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.519 7.699 1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.483 5.876 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.226 6.924 1.718 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.707 6.016 3.968 1.00 0.00 H new ATOM 1740 N LYS A 110 108.085 9.588 3.041 1.00 0.00 N ATOM 1741 CA LYS A 110 109.432 10.024 2.579 1.00 0.00 C ATOM 1742 C LYS A 110 110.429 10.203 3.730 1.00 0.00 C ATOM 1743 O LYS A 110 111.555 9.748 3.636 1.00 0.00 O ATOM 1744 CB LYS A 110 109.194 11.357 1.867 1.00 0.00 C ATOM 1745 CG LYS A 110 110.533 11.937 1.400 1.00 0.00 C ATOM 1746 CD LYS A 110 110.291 13.261 0.682 1.00 0.00 C ATOM 1747 CE LYS A 110 111.626 13.827 0.193 1.00 0.00 C ATOM 1748 NZ LYS A 110 112.364 14.204 1.431 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.326 10.243 2.850 1.00 0.00 H new ATOM 0 HA LYS A 110 109.877 9.268 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.532 11.212 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.698 12.057 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.193 12.089 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 110 111.033 11.235 0.732 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.616 13.112 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.808 13.969 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.179 13.088 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.475 14.691 -0.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 113.042 14.962 1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 111.690 14.537 2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 112.877 13.376 1.795 1.00 0.00 H new ATOM 1762 N GLN A 111 110.065 10.889 4.784 1.00 0.00 N ATOM 1763 CA GLN A 111 111.059 11.099 5.876 1.00 0.00 C ATOM 1764 C GLN A 111 111.470 9.749 6.456 1.00 0.00 C ATOM 1765 O GLN A 111 112.623 9.530 6.774 1.00 0.00 O ATOM 1766 CB GLN A 111 110.374 11.985 6.910 1.00 0.00 C ATOM 1767 CG GLN A 111 110.136 13.365 6.300 1.00 0.00 C ATOM 1768 CD GLN A 111 109.375 14.238 7.296 1.00 0.00 C ATOM 1769 OE1 GLN A 111 109.152 13.841 8.422 1.00 0.00 O ATOM 1770 NE2 GLN A 111 108.960 15.417 6.924 1.00 0.00 N ATOM 0 H GLN A 111 109.145 11.303 4.933 1.00 0.00 H new ATOM 0 HA GLN A 111 111.972 11.578 5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.428 11.541 7.219 1.00 0.00 H new ATOM 0 HB3 GLN A 111 110.993 12.069 7.803 1.00 0.00 H new ATOM 0 HG2 GLN A 111 111.088 13.831 6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.569 13.272 5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 111 109.148 15.749 5.978 1.00 0.00 H new ATOM 0 HE22 GLN A 111 108.447 16.007 7.579 1.00 0.00 H new ATOM 1779 N GLY A 112 110.552 8.834 6.577 1.00 0.00 N ATOM 1780 CA GLY A 112 110.918 7.497 7.117 1.00 0.00 C ATOM 1781 C GLY A 112 111.880 6.803 6.153 1.00 0.00 C ATOM 1782 O GLY A 112 112.879 6.243 6.556 1.00 0.00 O ATOM 0 H GLY A 112 109.570 8.952 6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.383 7.604 8.097 1.00 0.00 H new ATOM 0 HA3 GLY A 112 110.023 6.891 7.253 1.00 0.00 H new ATOM 1786 N LEU A 113 111.582 6.827 4.884 1.00 0.00 N ATOM 1787 CA LEU A 113 112.478 6.158 3.900 1.00 0.00 C ATOM 1788 C LEU A 113 113.855 6.827 3.878 1.00 0.00 C ATOM 1789 O LEU A 113 114.872 6.170 3.882 1.00 0.00 O ATOM 1790 CB LEU A 113 111.779 6.347 2.554 1.00 0.00 C ATOM 1791 CG LEU A 113 110.490 5.526 2.527 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.625 5.980 1.350 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.828 4.041 2.365 1.00 0.00 C ATOM 0 H LEU A 113 110.759 7.280 4.486 1.00 0.00 H new ATOM 0 HA LEU A 113 112.644 5.109 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.554 7.402 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.438 6.035 1.744 1.00 0.00 H new ATOM 0 HG LEU A 113 109.947 5.674 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.705 5.396 1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 113 109.382 7.036 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 113 110.171 5.831 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.907 3.458 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.371 3.891 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.446 3.715 3.201 1.00 0.00 H new ATOM 1805 N VAL A 114 113.897 8.129 3.850 1.00 0.00 N ATOM 1806 CA VAL A 114 115.216 8.821 3.815 1.00 0.00 C ATOM 1807 C VAL A 114 115.979 8.604 5.124 1.00 0.00 C ATOM 1808 O VAL A 114 117.149 8.274 5.118 1.00 0.00 O ATOM 1809 CB VAL A 114 114.882 10.293 3.609 1.00 0.00 C ATOM 1810 CG1 VAL A 114 116.171 11.115 3.638 1.00 0.00 C ATOM 1811 CG2 VAL A 114 114.182 10.456 2.255 1.00 0.00 C ATOM 0 H VAL A 114 113.081 8.741 3.850 1.00 0.00 H new ATOM 0 HA VAL A 114 115.861 8.438 3.024 1.00 0.00 H new ATOM 0 HB VAL A 114 114.223 10.644 4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.934 12.169 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.664 10.985 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.835 10.778 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.938 11.506 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.844 10.113 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 114 113.266 9.865 2.245 1.00 0.00 H new ATOM 1821 N ASP A 115 115.333 8.773 6.247 1.00 0.00 N ATOM 1822 CA ASP A 115 116.048 8.563 7.537 1.00 0.00 C ATOM 1823 C ASP A 115 116.466 7.098 7.677 1.00 0.00 C ATOM 1824 O ASP A 115 117.543 6.800 8.154 1.00 0.00 O ATOM 1825 CB ASP A 115 115.062 8.978 8.631 1.00 0.00 C ATOM 1826 CG ASP A 115 115.170 10.491 8.857 1.00 0.00 C ATOM 1827 OD1 ASP A 115 116.191 11.055 8.494 1.00 0.00 O1- ATOM 1828 OD2 ASP A 115 114.234 11.058 9.395 1.00 0.00 O ATOM 0 H ASP A 115 114.353 9.044 6.326 1.00 0.00 H new ATOM 0 HA ASP A 115 116.964 9.150 7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.045 8.713 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 115 115.279 8.443 9.556 1.00 0.00 H new ATOM 1833 N GLY A 116 115.639 6.176 7.263 1.00 0.00 N ATOM 1834 CA GLY A 116 116.022 4.739 7.377 1.00 0.00 C ATOM 1835 C GLY A 116 117.234 4.466 6.485 1.00 0.00 C ATOM 1836 O GLY A 116 118.161 3.781 6.874 1.00 0.00 O ATOM 0 H GLY A 116 114.722 6.353 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.256 4.494 8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.187 4.104 7.080 1.00 0.00 H new ATOM 1840 N ILE A 117 117.242 5.004 5.297 1.00 0.00 N ATOM 1841 CA ILE A 117 118.401 4.780 4.388 1.00 0.00 C ATOM 1842 C ILE A 117 119.664 5.399 4.994 1.00 0.00 C ATOM 1843 O ILE A 117 120.724 4.803 4.967 1.00 0.00 O ATOM 1844 CB ILE A 117 118.013 5.471 3.074 1.00 0.00 C ATOM 1845 CG1 ILE A 117 116.869 4.694 2.420 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.202 5.509 2.102 1.00 0.00 C ATOM 1847 CD1 ILE A 117 116.315 5.504 1.248 1.00 0.00 C ATOM 0 H ILE A 117 116.497 5.588 4.917 1.00 0.00 H new ATOM 0 HA ILE A 117 118.618 3.723 4.231 1.00 0.00 H new ATOM 0 HB ILE A 117 117.707 6.493 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 117 117.225 3.725 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 117 116.082 4.501 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 117 118.901 6.004 1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.026 6.059 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.524 4.491 1.880 1.00 0.00 H new ATOM 0 HD11 ILE A 117 115.499 4.954 0.779 1.00 0.00 H new ATOM 0 HD12 ILE A 117 115.945 6.463 1.611 1.00 0.00 H new ATOM 0 HD13 ILE A 117 117.106 5.674 0.517 1.00 0.00 H new ATOM 1859 N GLU A 118 119.574 6.591 5.519 1.00 0.00 N ATOM 1860 CA GLU A 118 120.791 7.225 6.101 1.00 0.00 C ATOM 1861 C GLU A 118 121.326 6.353 7.235 1.00 0.00 C ATOM 1862 O GLU A 118 122.505 6.070 7.308 1.00 0.00 O ATOM 1863 CB GLU A 118 120.332 8.582 6.624 1.00 0.00 C ATOM 1864 CG GLU A 118 121.548 9.378 7.102 1.00 0.00 C ATOM 1865 CD GLU A 118 121.097 10.744 7.632 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.905 10.922 7.833 1.00 0.00 O ATOM 1867 OE2 GLU A 118 121.953 11.589 7.827 1.00 0.00 O1- ATOM 0 H GLU A 118 118.721 7.148 5.570 1.00 0.00 H new ATOM 0 HA GLU A 118 121.595 7.337 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.810 9.130 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 118 119.625 8.449 7.443 1.00 0.00 H new ATOM 0 HG2 GLU A 118 122.070 8.828 7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 118 122.253 9.510 6.281 1.00 0.00 H new ATOM 1874 N LYS A 119 120.467 5.909 8.114 1.00 0.00 N ATOM 1875 CA LYS A 119 120.947 5.037 9.223 1.00 0.00 C ATOM 1876 C LYS A 119 121.495 3.749 8.625 1.00 0.00 C ATOM 1877 O LYS A 119 122.534 3.262 9.020 1.00 0.00 O ATOM 1878 CB LYS A 119 119.731 4.755 10.105 1.00 0.00 C ATOM 1879 CG LYS A 119 119.242 6.056 10.741 1.00 0.00 C ATOM 1880 CD LYS A 119 120.315 6.594 11.688 1.00 0.00 C ATOM 1881 CE LYS A 119 119.823 7.883 12.338 1.00 0.00 C ATOM 1882 NZ LYS A 119 120.926 8.288 13.251 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.467 6.109 8.113 1.00 0.00 H new ATOM 0 HA LYS A 119 121.739 5.503 9.809 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.934 4.308 9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.992 4.035 10.881 1.00 0.00 H new ATOM 0 HG2 LYS A 119 119.022 6.792 9.967 1.00 0.00 H new ATOM 0 HG3 LYS A 119 118.315 5.881 11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 119 120.543 5.853 12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 119 121.238 6.781 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 119 119.624 8.652 11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 119 118.894 7.722 12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 120.667 9.169 13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 121.088 7.538 13.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 121.795 8.440 12.700 1.00 0.00 H new ATOM 1896 N ALA A 120 120.819 3.212 7.650 1.00 0.00 N ATOM 1897 CA ALA A 120 121.318 1.976 6.999 1.00 0.00 C ATOM 1898 C ALA A 120 122.707 2.232 6.412 1.00 0.00 C ATOM 1899 O ALA A 120 123.597 1.423 6.524 1.00 0.00 O ATOM 1900 CB ALA A 120 120.314 1.683 5.886 1.00 0.00 C ATOM 0 H ALA A 120 119.943 3.577 7.277 1.00 0.00 H new ATOM 0 HA ALA A 120 121.406 1.141 7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.613 0.780 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.324 1.538 6.318 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.287 2.521 5.190 1.00 0.00 H new ATOM 1906 N GLY A 121 122.901 3.357 5.785 1.00 0.00 N ATOM 1907 CA GLY A 121 124.234 3.651 5.188 1.00 0.00 C ATOM 1908 C GLY A 121 125.292 3.742 6.291 1.00 0.00 C ATOM 1909 O GLY A 121 126.373 3.203 6.166 1.00 0.00 O ATOM 0 H GLY A 121 122.197 4.084 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.504 2.870 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.194 4.588 4.632 1.00 0.00 H new ATOM 1913 N MET A 122 124.991 4.411 7.374 1.00 0.00 N ATOM 1914 CA MET A 122 125.990 4.518 8.479 1.00 0.00 C ATOM 1915 C MET A 122 126.206 3.141 9.125 1.00 0.00 C ATOM 1916 O MET A 122 127.327 2.697 9.304 1.00 0.00 O ATOM 1917 CB MET A 122 125.373 5.515 9.470 1.00 0.00 C ATOM 1918 CG MET A 122 126.315 5.734 10.657 1.00 0.00 C ATOM 1919 SD MET A 122 125.547 6.880 11.834 1.00 0.00 S ATOM 1920 CE MET A 122 125.897 8.414 10.937 1.00 0.00 C ATOM 0 H MET A 122 124.103 4.885 7.541 1.00 0.00 H new ATOM 0 HA MET A 122 126.969 4.853 8.136 1.00 0.00 H new ATOM 0 HB2 MET A 122 125.180 6.464 8.970 1.00 0.00 H new ATOM 0 HB3 MET A 122 124.412 5.140 9.823 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.529 4.783 11.145 1.00 0.00 H new ATOM 0 HG3 MET A 122 127.267 6.136 10.310 1.00 0.00 H new ATOM 0 HE1 MET A 122 126.553 9.045 11.537 1.00 0.00 H new ATOM 0 HE2 MET A 122 126.385 8.179 9.991 1.00 0.00 H new ATOM 0 HE3 MET A 122 124.964 8.943 10.742 1.00 0.00 H new ATOM 1930 N ALA A 123 125.146 2.448 9.458 1.00 0.00 N ATOM 1931 CA ALA A 123 125.314 1.098 10.074 1.00 0.00 C ATOM 1932 C ALA A 123 126.033 0.179 9.087 1.00 0.00 C ATOM 1933 O ALA A 123 126.970 -0.512 9.433 1.00 0.00 O ATOM 1934 CB ALA A 123 123.902 0.583 10.356 1.00 0.00 C ATOM 0 H ALA A 123 124.182 2.755 9.331 1.00 0.00 H new ATOM 0 HA ALA A 123 125.906 1.134 10.989 1.00 0.00 H new ATOM 0 HB1 ALA A 123 123.959 -0.406 10.810 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.395 1.266 11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.344 0.522 9.422 1.00 0.00 H new ATOM 1940 N LEU A 124 125.611 0.187 7.853 1.00 0.00 N ATOM 1941 CA LEU A 124 126.283 -0.663 6.834 1.00 0.00 C ATOM 1942 C LEU A 124 127.733 -0.210 6.685 1.00 0.00 C ATOM 1943 O LEU A 124 128.628 -1.014 6.518 1.00 0.00 O ATOM 1944 CB LEU A 124 125.506 -0.441 5.535 1.00 0.00 C ATOM 1945 CG LEU A 124 124.117 -1.072 5.661 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.251 -0.663 4.465 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.255 -2.591 5.692 1.00 0.00 C ATOM 0 H LEU A 124 124.830 0.745 7.508 1.00 0.00 H new ATOM 0 HA LEU A 124 126.293 -1.718 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.416 0.626 5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.044 -0.883 4.696 1.00 0.00 H new ATOM 0 HG LEU A 124 123.645 -0.726 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.264 -1.115 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.153 0.422 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.720 -1.005 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.268 -3.044 5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 124 124.729 -2.932 4.771 1.00 0.00 H new ATOM 0 HD23 LEU A 124 124.867 -2.883 6.545 1.00 0.00 H new ATOM 1959 N ALA A 125 127.973 1.074 6.719 1.00 0.00 N ATOM 1960 CA ALA A 125 129.366 1.573 6.552 1.00 0.00 C ATOM 1961 C ALA A 125 130.297 0.908 7.566 1.00 0.00 C ATOM 1962 O ALA A 125 131.446 0.638 7.276 1.00 0.00 O ATOM 1963 CB ALA A 125 129.287 3.079 6.795 1.00 0.00 C ATOM 0 H ALA A 125 127.265 1.796 6.855 1.00 0.00 H new ATOM 0 HA ALA A 125 129.766 1.345 5.564 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.279 3.517 6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.611 3.530 6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 125 128.914 3.266 7.802 1.00 0.00 H new ATOM 1969 N LYS A 126 129.818 0.630 8.749 1.00 0.00 N ATOM 1970 CA LYS A 126 130.697 -0.030 9.757 1.00 0.00 C ATOM 1971 C LYS A 126 131.140 -1.393 9.222 1.00 0.00 C ATOM 1972 O LYS A 126 132.280 -1.790 9.364 1.00 0.00 O ATOM 1973 CB LYS A 126 129.827 -0.177 11.008 1.00 0.00 C ATOM 1974 CG LYS A 126 129.452 1.215 11.536 1.00 0.00 C ATOM 1975 CD LYS A 126 130.704 1.941 12.045 1.00 0.00 C ATOM 1976 CE LYS A 126 130.320 3.336 12.547 1.00 0.00 C ATOM 1977 NZ LYS A 126 131.587 3.920 13.075 1.00 0.00 N1+ ATOM 0 H LYS A 126 128.867 0.829 9.059 1.00 0.00 H new ATOM 0 HA LYS A 126 131.602 0.538 9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 126 128.926 -0.744 10.773 1.00 0.00 H new ATOM 0 HB3 LYS A 126 130.364 -0.736 11.774 1.00 0.00 H new ATOM 0 HG2 LYS A 126 128.981 1.798 10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 126 128.723 1.123 12.341 1.00 0.00 H new ATOM 0 HD2 LYS A 126 131.167 1.369 12.849 1.00 0.00 H new ATOM 0 HD3 LYS A 126 131.441 2.021 11.246 1.00 0.00 H new ATOM 0 HE2 LYS A 126 129.910 3.946 11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 126 129.558 3.280 13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 131.403 4.877 13.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 131.950 3.322 13.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 132.292 3.968 12.312 1.00 0.00 H new ATOM 1991 N TYR A 127 130.251 -2.101 8.582 1.00 0.00 N ATOM 1992 CA TYR A 127 130.628 -3.424 8.009 1.00 0.00 C ATOM 1993 C TYR A 127 131.358 -3.215 6.680 1.00 0.00 C ATOM 1994 O TYR A 127 132.232 -3.975 6.310 1.00 0.00 O ATOM 1995 CB TYR A 127 129.310 -4.170 7.808 1.00 0.00 C ATOM 1996 CG TYR A 127 128.727 -4.499 9.159 1.00 0.00 C ATOM 1997 CD1 TYR A 127 128.014 -3.527 9.870 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.912 -5.773 9.710 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.485 -3.828 11.130 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.385 -6.074 10.970 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.671 -5.103 11.680 1.00 0.00 C ATOM 2002 OH TYR A 127 127.152 -5.401 12.923 1.00 0.00 O ATOM 0 H TYR A 127 129.282 -1.822 8.431 1.00 0.00 H new ATOM 0 HA TYR A 127 131.300 -3.988 8.656 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.613 -3.558 7.235 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.476 -5.083 7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.872 -2.544 9.446 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.462 -6.524 9.162 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.934 -3.078 11.678 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.529 -7.056 11.395 1.00 0.00 H new ATOM 0 HH TYR A 127 127.371 -6.328 13.155 1.00 0.00 H new ATOM 2012 N PHE A 128 131.004 -2.179 5.964 1.00 0.00 N ATOM 2013 CA PHE A 128 131.666 -1.902 4.664 1.00 0.00 C ATOM 2014 C PHE A 128 132.067 -0.422 4.585 1.00 0.00 C ATOM 2015 O PHE A 128 131.280 0.410 4.180 1.00 0.00 O ATOM 2016 CB PHE A 128 130.617 -2.258 3.616 1.00 0.00 C ATOM 2017 CG PHE A 128 130.289 -3.723 3.758 1.00 0.00 C ATOM 2018 CD1 PHE A 128 131.323 -4.668 3.792 1.00 0.00 C ATOM 2019 CD2 PHE A 128 128.958 -4.137 3.879 1.00 0.00 C ATOM 2020 CE1 PHE A 128 131.026 -6.025 3.946 1.00 0.00 C ATOM 2021 CE2 PHE A 128 128.661 -5.496 4.029 1.00 0.00 C ATOM 2022 CZ PHE A 128 129.695 -6.440 4.064 1.00 0.00 C ATOM 0 H PHE A 128 130.280 -1.512 6.230 1.00 0.00 H new ATOM 0 HA PHE A 128 132.583 -2.474 4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 128 129.721 -1.653 3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 128 130.993 -2.048 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 128 132.350 -4.348 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 128 128.161 -3.409 3.857 1.00 0.00 H new ATOM 0 HE1 PHE A 128 131.823 -6.753 3.974 1.00 0.00 H new ATOM 0 HE2 PHE A 128 127.634 -5.817 4.118 1.00 0.00 H new ATOM 0 HZ PHE A 128 129.465 -7.489 4.182 1.00 0.00 H new ATOM 2032 N PRO A 129 133.292 -0.142 4.977 1.00 0.00 N ATOM 2033 CA PRO A 129 133.800 1.252 4.945 1.00 0.00 C ATOM 2034 C PRO A 129 133.933 1.711 3.497 1.00 0.00 C ATOM 2035 O PRO A 129 134.229 0.929 2.615 1.00 0.00 O ATOM 2036 CB PRO A 129 135.162 1.155 5.634 1.00 0.00 C ATOM 2037 CG PRO A 129 135.580 -0.265 5.448 1.00 0.00 C ATOM 2038 CD PRO A 129 134.320 -1.081 5.463 1.00 0.00 C ATOM 0 HA PRO A 129 133.147 1.973 5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.881 1.841 5.187 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.090 1.412 6.691 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.115 -0.393 4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.256 -0.579 6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.401 -1.956 4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.090 -1.444 6.465 1.00 0.00 H new ATOM 2046 N TRP A 130 133.707 2.968 3.236 1.00 0.00 N ATOM 2047 CA TRP A 130 133.806 3.460 1.836 1.00 0.00 C ATOM 2048 C TRP A 130 135.258 3.493 1.371 1.00 0.00 C ATOM 2049 O TRP A 130 136.128 4.014 2.042 1.00 0.00 O ATOM 2050 CB TRP A 130 133.251 4.879 1.873 1.00 0.00 C ATOM 2051 CG TRP A 130 133.150 5.382 0.472 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.175 5.044 -0.402 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.038 6.293 -0.236 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.407 5.693 -1.601 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.542 6.476 -1.548 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.213 6.973 0.130 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.187 7.306 -2.464 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.866 7.809 -0.790 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.354 7.974 -2.085 1.00 0.00 C ATOM 0 H TRP A 130 133.459 3.673 3.930 1.00 0.00 H new ATOM 0 HA TRP A 130 133.263 2.812 1.148 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.272 4.891 2.352 1.00 0.00 H new ATOM 0 HB3 TRP A 130 133.902 5.525 2.462 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.351 4.377 -0.197 1.00 0.00 H new ATOM 0 HE1 TRP A 130 131.812 5.604 -2.424 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.616 6.852 1.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.787 7.432 -3.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.767 8.328 -0.499 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.861 8.617 -2.789 1.00 0.00 H new ATOM 2070 N LYS A 131 135.519 2.968 0.209 1.00 0.00 N ATOM 2071 CA LYS A 131 136.906 2.994 -0.328 1.00 0.00 C ATOM 2072 C LYS A 131 136.961 3.961 -1.515 1.00 0.00 C ATOM 2073 O LYS A 131 135.988 4.139 -2.220 1.00 0.00 O ATOM 2074 CB LYS A 131 137.185 1.562 -0.780 1.00 0.00 C ATOM 2075 CG LYS A 131 137.201 0.635 0.434 1.00 0.00 C ATOM 2076 CD LYS A 131 137.392 -0.805 -0.035 1.00 0.00 C ATOM 2077 CE LYS A 131 137.329 -1.745 1.171 1.00 0.00 C ATOM 2078 NZ LYS A 131 137.360 -3.128 0.601 1.00 0.00 N1+ ATOM 0 H LYS A 131 134.829 2.520 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 131 137.642 3.328 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.422 1.238 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.142 1.514 -1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.006 0.919 1.112 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.268 0.728 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 131 136.619 -1.069 -0.757 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.351 -0.910 -0.542 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.171 -1.578 1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 131 136.421 -1.580 1.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 137.320 -3.823 1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 136.543 -3.262 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 138.239 -3.261 0.061 1.00 0.00 H new ATOM 2092 N LYS A 132 138.068 4.619 -1.718 1.00 0.00 N ATOM 2093 CA LYS A 132 138.142 5.608 -2.835 1.00 0.00 C ATOM 2094 C LYS A 132 137.780 4.952 -4.169 1.00 0.00 C ATOM 2095 O LYS A 132 137.271 5.599 -5.064 1.00 0.00 O ATOM 2096 CB LYS A 132 139.590 6.114 -2.856 1.00 0.00 C ATOM 2097 CG LYS A 132 139.883 6.935 -1.594 1.00 0.00 C ATOM 2098 CD LYS A 132 141.346 7.403 -1.614 1.00 0.00 C ATOM 2099 CE LYS A 132 141.660 8.186 -0.333 1.00 0.00 C ATOM 2100 NZ LYS A 132 143.089 8.593 -0.466 1.00 0.00 N1+ ATOM 0 H LYS A 132 138.919 4.518 -1.165 1.00 0.00 H new ATOM 0 HA LYS A 132 137.436 6.425 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 132 140.277 5.270 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 132 139.756 6.725 -3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.216 7.795 -1.544 1.00 0.00 H new ATOM 0 HG3 LYS A 132 139.695 6.334 -0.705 1.00 0.00 H new ATOM 0 HD2 LYS A 132 142.011 6.543 -1.698 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.525 8.030 -2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 132 141.010 9.055 -0.233 1.00 0.00 H new ATOM 0 HE3 LYS A 132 141.506 7.570 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 143.376 9.134 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 143.685 7.745 -0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.204 9.184 -1.314 1.00 0.00 H new ATOM 2114 N ASP A 133 138.017 3.675 -4.311 1.00 0.00 N ATOM 2115 CA ASP A 133 137.654 3.009 -5.594 1.00 0.00 C ATOM 2116 C ASP A 133 136.250 2.402 -5.520 1.00 0.00 C ATOM 2117 O ASP A 133 135.845 1.666 -6.399 1.00 0.00 O ATOM 2118 CB ASP A 133 138.709 1.928 -5.834 1.00 0.00 C ATOM 2119 CG ASP A 133 138.786 0.986 -4.624 1.00 0.00 C ATOM 2120 OD1 ASP A 133 138.107 1.241 -3.641 1.00 0.00 O1- ATOM 2121 OD2 ASP A 133 139.524 0.020 -4.703 1.00 0.00 O ATOM 0 H ASP A 133 138.440 3.072 -3.605 1.00 0.00 H new ATOM 0 HA ASP A 133 137.636 3.726 -6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.461 1.360 -6.731 1.00 0.00 H new ATOM 0 HB3 ASP A 133 139.681 2.390 -6.007 1.00 0.00 H new ATOM 2126 N ASP A 134 135.504 2.698 -4.462 1.00 0.00 N ATOM 2127 CA ASP A 134 134.122 2.146 -4.301 1.00 0.00 C ATOM 2128 C ASP A 134 133.351 2.194 -5.621 1.00 0.00 C ATOM 2129 O ASP A 134 133.397 3.157 -6.354 1.00 0.00 O ATOM 2130 CB ASP A 134 133.449 3.067 -3.280 1.00 0.00 C ATOM 2131 CG ASP A 134 132.007 2.602 -3.033 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.617 1.586 -3.592 1.00 0.00 O1- ATOM 2133 OD2 ASP A 134 131.315 3.268 -2.282 1.00 0.00 O ATOM 0 H ASP A 134 135.808 3.306 -3.701 1.00 0.00 H new ATOM 0 HA ASP A 134 134.143 1.103 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.009 3.059 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.452 4.094 -3.645 1.00 0.00 H new ATOM 2138 N ILE A 135 132.674 1.140 -5.930 1.00 0.00 N ATOM 2139 CA ILE A 135 131.921 1.073 -7.226 1.00 0.00 C ATOM 2140 C ILE A 135 130.410 1.034 -6.988 1.00 0.00 C ATOM 2141 O ILE A 135 129.928 0.415 -6.061 1.00 0.00 O ATOM 2142 CB ILE A 135 132.394 -0.207 -7.972 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.725 -1.373 -7.006 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.640 0.130 -8.794 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.488 -1.743 -6.178 1.00 0.00 C ATOM 0 H ILE A 135 132.600 0.307 -5.345 1.00 0.00 H new ATOM 0 HA ILE A 135 132.122 1.963 -7.823 1.00 0.00 H new ATOM 0 HB ILE A 135 131.575 -0.536 -8.612 1.00 0.00 H new ATOM 0 HG12 ILE A 135 133.064 -2.240 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 135 133.542 -1.086 -6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 135 133.980 -0.761 -9.321 1.00 0.00 H new ATOM 0 HG22 ILE A 135 133.399 0.910 -9.517 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.430 0.482 -8.130 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.734 -2.563 -5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.168 -0.879 -5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 135 130.682 -2.051 -6.845 1.00 0.00 H new ATOM 2157 N ASP A 136 129.652 1.699 -7.820 1.00 0.00 N ATOM 2158 CA ASP A 136 128.172 1.695 -7.634 1.00 0.00 C ATOM 2159 C ASP A 136 127.525 0.672 -8.571 1.00 0.00 C ATOM 2160 O ASP A 136 127.221 0.949 -9.714 1.00 0.00 O ATOM 2161 CB ASP A 136 127.715 3.112 -7.985 1.00 0.00 C ATOM 2162 CG ASP A 136 126.260 3.299 -7.549 1.00 0.00 C ATOM 2163 OD1 ASP A 136 125.841 2.608 -6.635 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 125.589 4.132 -8.137 1.00 0.00 O ATOM 0 H ASP A 136 129.991 2.241 -8.615 1.00 0.00 H new ATOM 0 HA ASP A 136 127.887 1.421 -6.618 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.352 3.845 -7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 136 127.810 3.281 -9.058 1.00 0.00 H new ATOM 2169 N GLU A 137 127.331 -0.513 -8.076 1.00 0.00 N ATOM 2170 CA GLU A 137 126.719 -1.604 -8.892 1.00 0.00 C ATOM 2171 C GLU A 137 125.251 -1.326 -9.205 1.00 0.00 C ATOM 2172 O GLU A 137 124.778 -1.602 -10.291 1.00 0.00 O ATOM 2173 CB GLU A 137 126.830 -2.837 -8.001 1.00 0.00 C ATOM 2174 CG GLU A 137 128.305 -3.221 -7.864 1.00 0.00 C ATOM 2175 CD GLU A 137 128.442 -4.456 -6.965 1.00 0.00 C ATOM 2176 OE1 GLU A 137 127.437 -4.906 -6.435 1.00 0.00 O ATOM 2177 OE2 GLU A 137 129.554 -4.938 -6.831 1.00 0.00 O1- ATOM 0 H GLU A 137 127.574 -0.782 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 137 127.218 -1.712 -9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.401 -2.632 -7.020 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.264 -3.664 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 137 128.729 -3.427 -8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 137 128.869 -2.389 -7.442 1.00 0.00 H new ATOM 2184 N LEU A 138 124.520 -0.798 -8.265 1.00 0.00 N ATOM 2185 CA LEU A 138 123.085 -0.526 -8.521 1.00 0.00 C ATOM 2186 C LEU A 138 122.842 0.981 -8.713 1.00 0.00 C ATOM 2187 O LEU A 138 123.552 1.792 -8.151 1.00 0.00 O ATOM 2188 CB LEU A 138 122.353 -1.028 -7.274 1.00 0.00 C ATOM 2189 CG LEU A 138 122.093 -2.534 -7.401 1.00 0.00 C ATOM 2190 CD1 LEU A 138 123.426 -3.279 -7.444 1.00 0.00 C ATOM 2191 CD2 LEU A 138 121.279 -3.016 -6.195 1.00 0.00 C ATOM 0 H LEU A 138 124.855 -0.545 -7.335 1.00 0.00 H new ATOM 0 HA LEU A 138 122.736 -1.019 -9.429 1.00 0.00 H new ATOM 0 HB2 LEU A 138 122.949 -0.825 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 138 121.410 -0.495 -7.154 1.00 0.00 H new ATOM 0 HG LEU A 138 121.536 -2.730 -8.317 1.00 0.00 H new ATOM 0 HD11 LEU A 138 123.242 -4.350 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 138 124.006 -2.937 -8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 138 123.982 -3.083 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 138 121.094 -4.086 -6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 138 121.836 -2.820 -5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 138 120.328 -2.485 -6.162 1.00 0.00 H new ATOM 2203 N PRO A 139 121.834 1.310 -9.488 1.00 0.00 N ATOM 2204 CA PRO A 139 121.490 2.735 -9.724 1.00 0.00 C ATOM 2205 C PRO A 139 120.793 3.284 -8.482 1.00 0.00 C ATOM 2206 O PRO A 139 120.676 2.590 -7.490 1.00 0.00 O ATOM 2207 CB PRO A 139 120.536 2.681 -10.915 1.00 0.00 C ATOM 2208 CG PRO A 139 119.937 1.309 -10.876 1.00 0.00 C ATOM 2209 CD PRO A 139 120.928 0.401 -10.206 1.00 0.00 C ATOM 0 HA PRO A 139 122.349 3.377 -9.919 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.766 3.449 -10.838 1.00 0.00 H new ATOM 0 HB3 PRO A 139 121.066 2.853 -11.852 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.994 1.318 -10.329 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.717 0.958 -11.884 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.434 -0.289 -9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.468 -0.204 -10.935 1.00 0.00 H new ATOM 2217 N ASN A 140 120.296 4.495 -8.510 1.00 0.00 N ATOM 2218 CA ASN A 140 119.580 5.020 -7.313 1.00 0.00 C ATOM 2219 C ASN A 140 118.119 5.345 -7.673 1.00 0.00 C ATOM 2220 O ASN A 140 117.375 5.854 -6.858 1.00 0.00 O ATOM 2221 CB ASN A 140 120.339 6.290 -6.916 1.00 0.00 C ATOM 2222 CG ASN A 140 120.293 7.309 -8.059 1.00 0.00 C ATOM 2223 OD1 ASN A 140 119.235 7.772 -8.435 1.00 0.00 O ATOM 2224 ND2 ASN A 140 121.407 7.685 -8.628 1.00 0.00 N ATOM 0 H ASN A 140 120.355 5.135 -9.302 1.00 0.00 H new ATOM 0 HA ASN A 140 119.552 4.298 -6.497 1.00 0.00 H new ATOM 0 HB2 ASN A 140 119.898 6.720 -6.017 1.00 0.00 H new ATOM 0 HB3 ASN A 140 121.374 6.045 -6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 140 121.387 8.366 -9.387 1.00 0.00 H new ATOM 0 HD22 ASN A 140 122.296 7.297 -8.314 1.00 0.00 H new ATOM 2231 N THR A 141 117.698 5.064 -8.889 1.00 0.00 N ATOM 2232 CA THR A 141 116.296 5.369 -9.285 1.00 0.00 C ATOM 2233 C THR A 141 115.308 4.603 -8.414 1.00 0.00 C ATOM 2234 O THR A 141 115.480 3.435 -8.126 1.00 0.00 O ATOM 2235 CB THR A 141 116.176 4.920 -10.741 1.00 0.00 C ATOM 2236 OG1 THR A 141 117.213 5.515 -11.507 1.00 0.00 O ATOM 2237 CG2 THR A 141 114.814 5.349 -11.293 1.00 0.00 C ATOM 0 H THR A 141 118.270 4.637 -9.617 1.00 0.00 H new ATOM 0 HA THR A 141 116.069 6.428 -9.163 1.00 0.00 H new ATOM 0 HB THR A 141 116.264 3.835 -10.798 1.00 0.00 H new ATOM 0 HG1 THR A 141 117.137 5.226 -12.440 1.00 0.00 H new ATOM 0 HG21 THR A 141 114.725 5.030 -12.332 1.00 0.00 H new ATOM 0 HG22 THR A 141 114.021 4.889 -10.703 1.00 0.00 H new ATOM 0 HG23 THR A 141 114.724 6.434 -11.238 1.00 0.00 H new ATOM 2245 N ILE A 142 114.269 5.264 -7.996 1.00 0.00 N ATOM 2246 CA ILE A 142 113.254 4.601 -7.140 1.00 0.00 C ATOM 2247 C ILE A 142 112.514 3.526 -7.936 1.00 0.00 C ATOM 2248 O ILE A 142 112.118 3.737 -9.065 1.00 0.00 O ATOM 2249 CB ILE A 142 112.302 5.721 -6.732 1.00 0.00 C ATOM 2250 CG1 ILE A 142 113.077 6.759 -5.918 1.00 0.00 C ATOM 2251 CG2 ILE A 142 111.172 5.142 -5.880 1.00 0.00 C ATOM 2252 CD1 ILE A 142 112.215 8.011 -5.729 1.00 0.00 C ATOM 0 H ILE A 142 114.079 6.242 -8.213 1.00 0.00 H new ATOM 0 HA ILE A 142 113.695 4.104 -6.276 1.00 0.00 H new ATOM 0 HB ILE A 142 111.879 6.190 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.352 6.344 -4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 142 114.005 7.017 -6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.491 5.941 -5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.628 4.394 -6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.591 4.677 -4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.768 8.750 -5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.963 8.430 -6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 142 111.300 7.746 -5.200 1.00 0.00 H new ATOM 2264 N SER A 143 112.301 2.385 -7.344 1.00 0.00 N ATOM 2265 CA SER A 143 111.559 1.307 -8.053 1.00 0.00 C ATOM 2266 C SER A 143 110.074 1.404 -7.704 1.00 0.00 C ATOM 2267 O SER A 143 109.708 1.564 -6.557 1.00 0.00 O ATOM 2268 CB SER A 143 112.151 -0.005 -7.535 1.00 0.00 C ATOM 2269 OG SER A 143 113.317 -0.321 -8.276 1.00 0.00 O ATOM 0 H SER A 143 112.609 2.152 -6.400 1.00 0.00 H new ATOM 0 HA SER A 143 111.648 1.380 -9.137 1.00 0.00 H new ATOM 0 HB2 SER A 143 112.393 0.086 -6.476 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.420 -0.808 -7.627 1.00 0.00 H new ATOM 0 HG SER A 143 113.342 -1.285 -8.451 1.00 0.00 H new ATOM 2275 N LYS A 144 109.215 1.315 -8.681 1.00 0.00 N ATOM 2276 CA LYS A 144 107.759 1.407 -8.385 1.00 0.00 C ATOM 2277 C LYS A 144 107.008 0.281 -9.105 1.00 0.00 C ATOM 2278 O LYS A 144 107.415 -0.172 -10.157 1.00 0.00 O ATOM 2279 CB LYS A 144 107.335 2.781 -8.911 1.00 0.00 C ATOM 2280 CG LYS A 144 108.048 3.871 -8.104 1.00 0.00 C ATOM 2281 CD LYS A 144 107.665 5.255 -8.638 1.00 0.00 C ATOM 2282 CE LYS A 144 108.364 6.329 -7.799 1.00 0.00 C ATOM 2283 NZ LYS A 144 108.046 7.621 -8.471 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.456 1.184 -9.663 1.00 0.00 H new ATOM 0 HA LYS A 144 107.537 1.301 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.585 2.872 -9.968 1.00 0.00 H new ATOM 0 HB3 LYS A 144 106.255 2.898 -8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 144 107.777 3.791 -7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 144 109.128 3.734 -8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 144 107.956 5.348 -9.684 1.00 0.00 H new ATOM 0 HD3 LYS A 144 106.584 5.389 -8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 144 108.003 6.321 -6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 144 109.440 6.160 -7.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 108.866 7.933 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 107.228 7.493 -9.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 107.821 8.339 -7.753 1.00 0.00 H new ATOM 2297 N GLY A 145 105.923 -0.182 -8.546 1.00 0.00 N ATOM 2298 CA GLY A 145 105.159 -1.285 -9.202 1.00 0.00 C ATOM 2299 C GLY A 145 104.451 -0.755 -10.452 1.00 0.00 C ATOM 2300 O GLY A 145 103.543 -1.422 -10.920 1.00 0.00 O ATOM 2301 OXT GLY A 145 104.830 0.306 -10.919 1.00 0.00 O ATOM 0 H GLY A 145 105.532 0.154 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.835 -2.097 -9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 145 104.428 -1.697 -8.506 1.00 0.00 H new