USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=20 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 103 GLN : amide:sc= -0.24 K(o=-0.24,f=-0.82) USER MOD Set 1.2: A 106 GLN : amide:sc=-6.19e-05 K(o=-0.24,f=-2.2!) USER MOD Set 2.1: A 52 HIS :FLIP no HD1:sc= -0.0415 F(o=-1,f=-0.041) USER MOD Set 2.2: A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 9 THR OG1 : rot 35:sc= 0.393 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= -0.0125 K(o=-0.012,f=-1.8!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.25) 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= 0.0185 USER MOD Single : A 48 MET CE :methyl 153:sc= -0.193 (180deg=-1.03) USER MOD Single : A 53 ASN : amide:sc= -2.94! C(o=-2.9!,f=-4.9!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 166:sc= -3.12! (180deg=-3.65!) USER MOD Single : A 58 ASN : amide:sc= -0.563 K(o=-0.56,f=-1.7!) USER MOD Single : A 59 THR OG1 : rot 160:sc= -1.88! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0302 K(o=-0.03,f=-1.2) USER MOD Single : A 63 ASN : amide:sc= -3.35! C(o=-3.3!,f=-9.2!) USER MOD Single : A 68 TYR OH : rot 144:sc= -0.854! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : 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= -0.586 K(o=-0.59,f=-2.2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0088 USER MOD Single : A 96 THR OG1 : rot -170:sc= 0.0717 USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 ASN : amide:sc= -0.0397 K(o=-0.04,f=-1.8!) USER MOD Single : A 110 LYS NZ :NH3+ -135:sc= -2.02! (180deg=-4.24!) USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 148:sc= -0.124 (180deg=-0.912) 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= -3.33! C(o=-3.3!,f=-3.1!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 9 105.728 14.081 -4.667 1.00 0.00 N ATOM 142 CA THR A 9 105.903 14.998 -5.830 1.00 0.00 C ATOM 143 C THR A 9 107.320 14.868 -6.389 1.00 0.00 C ATOM 144 O THR A 9 108.197 14.316 -5.755 1.00 0.00 O ATOM 145 CB THR A 9 105.681 16.402 -5.266 1.00 0.00 C ATOM 146 OG1 THR A 9 104.456 16.434 -4.547 1.00 0.00 O ATOM 147 CG2 THR A 9 105.627 17.415 -6.411 1.00 0.00 C ATOM 0 HA THR A 9 105.213 14.771 -6.643 1.00 0.00 H new ATOM 0 HB THR A 9 106.503 16.657 -4.598 1.00 0.00 H new ATOM 0 HG1 THR A 9 104.317 15.573 -4.099 1.00 0.00 H new ATOM 0 HG21 THR A 9 105.469 18.414 -6.006 1.00 0.00 H new ATOM 0 HG22 THR A 9 106.567 17.392 -6.962 1.00 0.00 H new ATOM 0 HG23 THR A 9 104.807 17.162 -7.082 1.00 0.00 H new ATOM 155 N ALA A 10 107.554 15.370 -7.574 1.00 0.00 N ATOM 156 CA ALA A 10 108.919 15.268 -8.168 1.00 0.00 C ATOM 157 C ALA A 10 109.946 15.846 -7.195 1.00 0.00 C ATOM 158 O ALA A 10 111.031 15.327 -7.045 1.00 0.00 O ATOM 159 CB ALA A 10 108.858 16.104 -9.446 1.00 0.00 C ATOM 0 H ALA A 10 106.861 15.844 -8.154 1.00 0.00 H new ATOM 0 HA ALA A 10 109.212 14.238 -8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.828 16.080 -9.943 1.00 0.00 H new ATOM 0 HB2 ALA A 10 108.098 15.695 -10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.605 17.134 -9.195 1.00 0.00 H new ATOM 165 N GLU A 11 109.592 16.886 -6.500 1.00 0.00 N ATOM 166 CA GLU A 11 110.528 17.474 -5.502 1.00 0.00 C ATOM 167 C GLU A 11 110.760 16.476 -4.369 1.00 0.00 C ATOM 168 O GLU A 11 111.860 16.342 -3.870 1.00 0.00 O ATOM 169 CB GLU A 11 109.825 18.724 -4.975 1.00 0.00 C ATOM 170 CG GLU A 11 109.764 19.784 -6.077 1.00 0.00 C ATOM 171 CD GLU A 11 108.972 21.005 -5.585 1.00 0.00 C ATOM 172 OE1 GLU A 11 108.471 20.965 -4.471 1.00 0.00 O ATOM 173 OE2 GLU A 11 108.887 21.964 -6.332 1.00 0.00 O1- ATOM 0 H GLU A 11 108.691 17.358 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 11 111.500 17.713 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 11 108.818 18.473 -4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 11 110.359 19.116 -4.109 1.00 0.00 H new ATOM 0 HG2 GLU A 11 110.773 20.084 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 11 109.292 19.369 -6.968 1.00 0.00 H new ATOM 180 N GLU A 12 109.745 15.765 -3.960 1.00 0.00 N ATOM 181 CA GLU A 12 109.936 14.777 -2.866 1.00 0.00 C ATOM 182 C GLU A 12 110.764 13.589 -3.360 1.00 0.00 C ATOM 183 O GLU A 12 111.707 13.164 -2.718 1.00 0.00 O ATOM 184 CB GLU A 12 108.524 14.336 -2.482 1.00 0.00 C ATOM 185 CG GLU A 12 107.772 15.520 -1.865 1.00 0.00 C ATOM 186 CD GLU A 12 106.345 15.104 -1.493 1.00 0.00 C ATOM 187 OE1 GLU A 12 106.000 13.962 -1.719 1.00 0.00 O ATOM 188 OE2 GLU A 12 105.622 15.936 -0.981 1.00 0.00 O1- ATOM 0 H GLU A 12 108.798 15.826 -4.335 1.00 0.00 H new ATOM 0 HA GLU A 12 110.474 15.198 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 12 107.993 13.972 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 12 108.569 13.510 -1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 12 108.299 15.873 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 12 107.744 16.350 -2.571 1.00 0.00 H new ATOM 195 N GLU A 13 110.433 13.066 -4.507 1.00 0.00 N ATOM 196 CA GLU A 13 111.208 11.922 -5.064 1.00 0.00 C ATOM 197 C GLU A 13 112.629 12.375 -5.384 1.00 0.00 C ATOM 198 O GLU A 13 113.578 11.625 -5.269 1.00 0.00 O ATOM 199 CB GLU A 13 110.486 11.558 -6.358 1.00 0.00 C ATOM 200 CG GLU A 13 109.080 11.048 -6.038 1.00 0.00 C ATOM 201 CD GLU A 13 108.319 10.760 -7.341 1.00 0.00 C ATOM 202 OE1 GLU A 13 108.870 11.005 -8.406 1.00 0.00 O ATOM 203 OE2 GLU A 13 107.197 10.296 -7.251 1.00 0.00 O1- ATOM 0 H GLU A 13 109.655 13.383 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 13 111.271 11.084 -4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.428 12.429 -7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 13 111.047 10.794 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.141 10.142 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 13 108.541 11.789 -5.448 1.00 0.00 H new ATOM 210 N LYS A 14 112.781 13.593 -5.807 1.00 0.00 N ATOM 211 CA LYS A 14 114.136 14.092 -6.153 1.00 0.00 C ATOM 212 C LYS A 14 115.044 14.091 -4.919 1.00 0.00 C ATOM 213 O LYS A 14 116.182 13.672 -4.973 1.00 0.00 O ATOM 214 CB LYS A 14 113.914 15.525 -6.627 1.00 0.00 C ATOM 215 CG LYS A 14 115.223 16.082 -7.174 1.00 0.00 C ATOM 216 CD LYS A 14 115.002 17.511 -7.666 1.00 0.00 C ATOM 217 CE LYS A 14 116.312 18.048 -8.245 1.00 0.00 C ATOM 218 NZ LYS A 14 115.987 19.417 -8.729 1.00 0.00 N1+ ATOM 0 H LYS A 14 112.025 14.267 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 14 114.618 13.468 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 14 113.144 15.550 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 14 113.559 16.142 -5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 14 115.989 16.067 -6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 14 115.584 15.457 -7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 14 114.219 17.531 -8.424 1.00 0.00 H new ATOM 0 HD3 LYS A 14 114.666 18.144 -6.845 1.00 0.00 H new ATOM 0 HE2 LYS A 14 117.097 18.073 -7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 14 116.672 17.417 -9.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 116.838 19.851 -9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 115.242 19.362 -9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 115.654 19.997 -7.933 1.00 0.00 H new ATOM 232 N ALA A 15 114.555 14.586 -3.813 1.00 0.00 N ATOM 233 CA ALA A 15 115.398 14.646 -2.585 1.00 0.00 C ATOM 234 C ALA A 15 115.736 13.244 -2.057 1.00 0.00 C ATOM 235 O ALA A 15 116.861 12.981 -1.677 1.00 0.00 O ATOM 236 CB ALA A 15 114.566 15.428 -1.569 1.00 0.00 C ATOM 0 H ALA A 15 113.608 14.951 -3.708 1.00 0.00 H new ATOM 0 HA ALA A 15 116.358 15.122 -2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.121 15.515 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.355 16.423 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 15 113.628 14.904 -1.387 1.00 0.00 H new ATOM 242 N ILE A 16 114.788 12.342 -2.012 1.00 0.00 N ATOM 243 CA ILE A 16 115.098 10.978 -1.487 1.00 0.00 C ATOM 244 C ILE A 16 116.067 10.251 -2.423 1.00 0.00 C ATOM 245 O ILE A 16 116.955 9.547 -1.986 1.00 0.00 O ATOM 246 CB ILE A 16 113.752 10.255 -1.380 1.00 0.00 C ATOM 247 CG1 ILE A 16 113.957 8.910 -0.683 1.00 0.00 C ATOM 248 CG2 ILE A 16 113.164 10.029 -2.771 1.00 0.00 C ATOM 249 CD1 ILE A 16 112.621 8.400 -0.136 1.00 0.00 C ATOM 0 H ILE A 16 113.824 12.488 -2.312 1.00 0.00 H new ATOM 0 HA ILE A 16 115.591 11.015 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 16 113.060 10.867 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 16 114.373 8.187 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 16 114.676 9.017 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 16 112.207 9.514 -2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 16 113.015 10.990 -3.263 1.00 0.00 H new ATOM 0 HG23 ILE A 16 113.850 9.421 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 16 112.773 7.441 0.360 1.00 0.00 H new ATOM 0 HD12 ILE A 16 112.222 9.119 0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 16 111.915 8.276 -0.957 1.00 0.00 H new ATOM 261 N VAL A 17 115.929 10.447 -3.703 1.00 0.00 N ATOM 262 CA VAL A 17 116.872 9.801 -4.660 1.00 0.00 C ATOM 263 C VAL A 17 118.274 10.357 -4.405 1.00 0.00 C ATOM 264 O VAL A 17 119.256 9.640 -4.437 1.00 0.00 O ATOM 265 CB VAL A 17 116.364 10.198 -6.045 1.00 0.00 C ATOM 266 CG1 VAL A 17 117.356 9.728 -7.111 1.00 0.00 C ATOM 267 CG2 VAL A 17 115.003 9.546 -6.287 1.00 0.00 C ATOM 0 H VAL A 17 115.205 11.026 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 17 116.922 8.717 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 17 116.265 11.282 -6.101 1.00 0.00 H new ATOM 0 HG11 VAL A 17 116.991 10.012 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 17 118.326 10.192 -6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 17 117.458 8.644 -7.060 1.00 0.00 H new ATOM 0 HG21 VAL A 17 114.636 9.826 -7.274 1.00 0.00 H new ATOM 0 HG22 VAL A 17 115.104 8.462 -6.231 1.00 0.00 H new ATOM 0 HG23 VAL A 17 114.297 9.884 -5.528 1.00 0.00 H new ATOM 277 N ASP A 18 118.368 11.636 -4.162 1.00 0.00 N ATOM 278 CA ASP A 18 119.704 12.251 -3.913 1.00 0.00 C ATOM 279 C ASP A 18 120.328 11.641 -2.656 1.00 0.00 C ATOM 280 O ASP A 18 121.516 11.391 -2.600 1.00 0.00 O ATOM 281 CB ASP A 18 119.449 13.747 -3.727 1.00 0.00 C ATOM 282 CG ASP A 18 119.067 14.382 -5.067 1.00 0.00 C ATOM 283 OD1 ASP A 18 119.274 13.746 -6.088 1.00 0.00 O1- ATOM 284 OD2 ASP A 18 118.573 15.498 -5.048 1.00 0.00 O ATOM 0 H ASP A 18 117.579 12.281 -4.125 1.00 0.00 H new ATOM 0 HA ASP A 18 120.397 12.074 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 18 118.651 13.901 -3.001 1.00 0.00 H new ATOM 0 HB3 ASP A 18 120.341 14.230 -3.327 1.00 0.00 H new ATOM 289 N ALA A 19 119.535 11.396 -1.647 1.00 0.00 N ATOM 290 CA ALA A 19 120.088 10.794 -0.401 1.00 0.00 C ATOM 291 C ALA A 19 120.677 9.422 -0.721 1.00 0.00 C ATOM 292 O ALA A 19 121.722 9.049 -0.226 1.00 0.00 O ATOM 293 CB ALA A 19 118.895 10.658 0.544 1.00 0.00 C ATOM 0 H ALA A 19 118.533 11.586 -1.632 1.00 0.00 H new ATOM 0 HA ALA A 19 120.881 11.398 0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 19 119.225 10.220 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 19 118.466 11.642 0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 19 118.142 10.014 0.089 1.00 0.00 H new ATOM 299 N ILE A 20 120.014 8.673 -1.559 1.00 0.00 N ATOM 300 CA ILE A 20 120.529 7.325 -1.929 1.00 0.00 C ATOM 301 C ILE A 20 121.884 7.477 -2.635 1.00 0.00 C ATOM 302 O ILE A 20 122.820 6.744 -2.373 1.00 0.00 O ATOM 303 CB ILE A 20 119.468 6.737 -2.869 1.00 0.00 C ATOM 304 CG1 ILE A 20 118.180 6.458 -2.086 1.00 0.00 C ATOM 305 CG2 ILE A 20 119.977 5.425 -3.467 1.00 0.00 C ATOM 306 CD1 ILE A 20 117.050 6.114 -3.062 1.00 0.00 C ATOM 0 H ILE A 20 119.135 8.938 -2.004 1.00 0.00 H new ATOM 0 HA ILE A 20 120.691 6.676 -1.068 1.00 0.00 H new ATOM 0 HB ILE A 20 119.268 7.452 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 20 118.337 5.634 -1.390 1.00 0.00 H new ATOM 0 HG13 ILE A 20 117.908 7.330 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 20 119.220 5.011 -4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 20 120.892 5.612 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 20 120.182 4.715 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 20 116.135 5.916 -2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 20 116.887 6.952 -3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 20 117.323 5.229 -3.637 1.00 0.00 H new ATOM 318 N ARG A 21 122.000 8.435 -3.517 1.00 0.00 N ATOM 319 CA ARG A 21 123.296 8.651 -4.229 1.00 0.00 C ATOM 320 C ARG A 21 124.413 8.940 -3.223 1.00 0.00 C ATOM 321 O ARG A 21 125.510 8.430 -3.333 1.00 0.00 O ATOM 322 CB ARG A 21 123.060 9.882 -5.108 1.00 0.00 C ATOM 323 CG ARG A 21 122.127 9.516 -6.260 1.00 0.00 C ATOM 324 CD ARG A 21 121.794 10.766 -7.082 1.00 0.00 C ATOM 325 NE ARG A 21 123.095 11.217 -7.655 1.00 0.00 N ATOM 326 CZ ARG A 21 123.149 12.305 -8.380 1.00 0.00 C ATOM 327 NH1 ARG A 21 123.280 13.471 -7.810 1.00 0.00 N1+ ATOM 328 NH2 ARG A 21 123.075 12.225 -9.682 1.00 0.00 N ATOM 0 H ARG A 21 121.252 9.079 -3.776 1.00 0.00 H new ATOM 0 HA ARG A 21 123.597 7.776 -4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 21 122.625 10.687 -4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 21 124.009 10.251 -5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 21 122.598 8.767 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 21 121.211 9.072 -5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 21 121.075 10.539 -7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 21 121.349 11.541 -6.457 1.00 0.00 H new ATOM 0 HE ARG A 21 123.943 10.677 -7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 21 123.341 13.538 -6.794 1.00 0.00 H new ATOM 0 HH12 ARG A 21 123.322 14.316 -8.380 1.00 0.00 H new ATOM 0 HH21 ARG A 21 122.975 11.315 -10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 21 123.117 13.072 -10.248 1.00 0.00 H new ATOM 342 N ASP A 22 124.135 9.748 -2.238 1.00 0.00 N ATOM 343 CA ASP A 22 125.177 10.073 -1.224 1.00 0.00 C ATOM 344 C ASP A 22 125.565 8.823 -0.428 1.00 0.00 C ATOM 345 O ASP A 22 126.712 8.650 -0.066 1.00 0.00 O ATOM 346 CB ASP A 22 124.529 11.108 -0.301 1.00 0.00 C ATOM 347 CG ASP A 22 124.696 12.512 -0.901 1.00 0.00 C ATOM 348 OD1 ASP A 22 125.456 12.653 -1.848 1.00 0.00 O1- ATOM 349 OD2 ASP A 22 124.064 13.425 -0.397 1.00 0.00 O ATOM 0 H ASP A 22 123.231 10.197 -2.091 1.00 0.00 H new ATOM 0 HA ASP A 22 126.089 10.449 -1.688 1.00 0.00 H new ATOM 0 HB2 ASP A 22 123.471 10.881 -0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 22 124.988 11.067 0.687 1.00 0.00 H new ATOM 354 N ALA A 23 124.628 7.956 -0.141 1.00 0.00 N ATOM 355 CA ALA A 23 124.982 6.738 0.648 1.00 0.00 C ATOM 356 C ALA A 23 125.971 5.875 -0.146 1.00 0.00 C ATOM 357 O ALA A 23 126.890 5.298 0.409 1.00 0.00 O ATOM 358 CB ALA A 23 123.664 6.003 0.895 1.00 0.00 C ATOM 0 H ALA A 23 123.648 8.036 -0.414 1.00 0.00 H new ATOM 0 HA ALA A 23 125.467 6.982 1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 23 123.855 5.097 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 23 122.985 6.650 1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 23 123.211 5.737 -0.060 1.00 0.00 H new ATOM 364 N GLU A 24 125.797 5.781 -1.440 1.00 0.00 N ATOM 365 CA GLU A 24 126.732 4.955 -2.267 1.00 0.00 C ATOM 366 C GLU A 24 128.176 5.477 -2.162 1.00 0.00 C ATOM 367 O GLU A 24 129.114 4.779 -2.493 1.00 0.00 O ATOM 368 CB GLU A 24 126.227 5.093 -3.699 1.00 0.00 C ATOM 369 CG GLU A 24 124.840 4.462 -3.832 1.00 0.00 C ATOM 370 CD GLU A 24 124.933 2.950 -3.615 1.00 0.00 C ATOM 371 OE1 GLU A 24 126.025 2.419 -3.738 1.00 0.00 O ATOM 372 OE2 GLU A 24 123.910 2.347 -3.336 1.00 0.00 O1- ATOM 0 H GLU A 24 125.049 6.240 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 24 126.751 3.918 -1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 24 126.184 6.146 -3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 24 126.922 4.610 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 24 124.159 4.902 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 24 124.428 4.672 -4.819 1.00 0.00 H new ATOM 379 N LYS A 25 128.369 6.672 -1.661 1.00 0.00 N ATOM 380 CA LYS A 25 129.754 7.180 -1.493 1.00 0.00 C ATOM 381 C LYS A 25 130.235 6.913 -0.056 1.00 0.00 C ATOM 382 O LYS A 25 131.362 7.211 0.291 1.00 0.00 O ATOM 383 CB LYS A 25 129.674 8.670 -1.776 1.00 0.00 C ATOM 384 CG LYS A 25 129.242 8.877 -3.222 1.00 0.00 C ATOM 385 CD LYS A 25 129.117 10.370 -3.498 1.00 0.00 C ATOM 386 CE LYS A 25 128.771 10.591 -4.972 1.00 0.00 C ATOM 387 NZ LYS A 25 128.721 12.070 -5.143 1.00 0.00 N1+ ATOM 0 H LYS A 25 127.630 7.309 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 25 130.462 6.690 -2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 25 128.963 9.144 -1.099 1.00 0.00 H new ATOM 0 HB3 LYS A 25 130.642 9.139 -1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 25 129.969 8.429 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS A 25 128.289 8.380 -3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 25 128.344 10.804 -2.863 1.00 0.00 H new ATOM 0 HD3 LYS A 25 130.051 10.875 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 25 129.522 10.144 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 25 127.815 10.133 -5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 128.489 12.298 -6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 127.993 12.468 -4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 129.646 12.479 -4.902 1.00 0.00 H new ATOM 401 N ASN A 26 129.399 6.343 0.783 1.00 0.00 N ATOM 402 CA ASN A 26 129.815 6.038 2.164 1.00 0.00 C ATOM 403 C ASN A 26 129.956 4.516 2.336 1.00 0.00 C ATOM 404 O ASN A 26 130.539 4.046 3.293 1.00 0.00 O ATOM 405 CB ASN A 26 128.678 6.582 3.030 1.00 0.00 C ATOM 406 CG ASN A 26 128.720 8.112 3.017 1.00 0.00 C ATOM 407 OD1 ASN A 26 129.703 8.698 2.610 1.00 0.00 O ATOM 408 ND2 ASN A 26 127.691 8.788 3.453 1.00 0.00 N ATOM 0 H ASN A 26 128.441 6.079 0.554 1.00 0.00 H new ATOM 0 HA ASN A 26 130.776 6.477 2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 26 127.718 6.230 2.653 1.00 0.00 H new ATOM 0 HB3 ASN A 26 128.774 6.213 4.051 1.00 0.00 H new ATOM 0 HD21 ASN A 26 127.713 9.808 3.452 1.00 0.00 H new ATOM 0 HD22 ASN A 26 126.865 8.296 3.795 1.00 0.00 H new ATOM 415 N THR A 27 129.434 3.736 1.413 1.00 0.00 N ATOM 416 CA THR A 27 129.556 2.252 1.534 1.00 0.00 C ATOM 417 C THR A 27 129.479 1.591 0.148 1.00 0.00 C ATOM 418 O THR A 27 128.966 2.157 -0.797 1.00 0.00 O ATOM 419 CB THR A 27 128.366 1.817 2.397 1.00 0.00 C ATOM 420 OG1 THR A 27 128.309 0.389 2.464 1.00 0.00 O ATOM 421 CG2 THR A 27 127.066 2.346 1.785 1.00 0.00 C ATOM 0 H THR A 27 128.933 4.065 0.588 1.00 0.00 H new ATOM 0 HA THR A 27 130.509 1.958 1.974 1.00 0.00 H new ATOM 0 HB THR A 27 128.490 2.222 3.402 1.00 0.00 H new ATOM 0 HG1 THR A 27 127.548 0.118 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 27 126.221 2.035 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 27 127.101 3.435 1.740 1.00 0.00 H new ATOM 0 HG23 THR A 27 126.948 1.945 0.778 1.00 0.00 H new ATOM 429 N SER A 28 129.950 0.374 0.036 1.00 0.00 N ATOM 430 CA SER A 28 129.867 -0.348 -1.266 1.00 0.00 C ATOM 431 C SER A 28 128.536 -1.117 -1.366 1.00 0.00 C ATOM 432 O SER A 28 128.205 -1.664 -2.400 1.00 0.00 O ATOM 433 CB SER A 28 131.052 -1.314 -1.266 1.00 0.00 C ATOM 434 OG SER A 28 132.262 -0.569 -1.249 1.00 0.00 O ATOM 0 H SER A 28 130.389 -0.150 0.793 1.00 0.00 H new ATOM 0 HA SER A 28 129.902 0.333 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 28 131.002 -1.969 -0.397 1.00 0.00 H new ATOM 0 HB3 SER A 28 131.016 -1.952 -2.149 1.00 0.00 H new ATOM 0 HG SER A 28 133.025 -1.184 -1.247 1.00 0.00 H new ATOM 440 N GLY A 29 127.763 -1.162 -0.303 1.00 0.00 N ATOM 441 CA GLY A 29 126.471 -1.883 -0.353 1.00 0.00 C ATOM 442 C GLY A 29 125.486 -1.084 -1.206 1.00 0.00 C ATOM 443 O GLY A 29 125.752 0.038 -1.589 1.00 0.00 O ATOM 0 H GLY A 29 127.981 -0.726 0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 29 126.612 -2.878 -0.774 1.00 0.00 H new ATOM 0 HA3 GLY A 29 126.075 -2.016 0.654 1.00 0.00 H new ATOM 447 N GLU A 30 124.355 -1.651 -1.510 1.00 0.00 N ATOM 448 CA GLU A 30 123.357 -0.914 -2.348 1.00 0.00 C ATOM 449 C GLU A 30 121.961 -0.963 -1.719 1.00 0.00 C ATOM 450 O GLU A 30 121.516 -1.984 -1.234 1.00 0.00 O ATOM 451 CB GLU A 30 123.365 -1.624 -3.700 1.00 0.00 C ATOM 452 CG GLU A 30 124.675 -1.333 -4.438 1.00 0.00 C ATOM 453 CD GLU A 30 124.781 -2.229 -5.681 1.00 0.00 C ATOM 454 OE1 GLU A 30 123.826 -2.935 -5.976 1.00 0.00 O1- ATOM 455 OE2 GLU A 30 125.818 -2.196 -6.318 1.00 0.00 O ATOM 0 H GLU A 30 124.074 -2.587 -1.219 1.00 0.00 H new ATOM 0 HA GLU A 30 123.613 0.142 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 30 123.250 -2.698 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 30 122.518 -1.290 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 30 124.713 -0.284 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 30 125.523 -1.511 -3.777 1.00 0.00 H new ATOM 462 N ILE A 31 121.273 0.151 -1.729 1.00 0.00 N ATOM 463 CA ILE A 31 119.905 0.206 -1.136 1.00 0.00 C ATOM 464 C ILE A 31 118.879 0.599 -2.202 1.00 0.00 C ATOM 465 O ILE A 31 119.089 1.513 -2.974 1.00 0.00 O ATOM 466 CB ILE A 31 119.982 1.278 -0.055 1.00 0.00 C ATOM 467 CG1 ILE A 31 121.037 0.875 0.975 1.00 0.00 C ATOM 468 CG2 ILE A 31 118.621 1.402 0.632 1.00 0.00 C ATOM 469 CD1 ILE A 31 121.234 2.013 1.978 1.00 0.00 C ATOM 0 H ILE A 31 121.604 1.030 -2.126 1.00 0.00 H new ATOM 0 HA ILE A 31 119.595 -0.758 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 31 120.252 2.235 -0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 31 120.726 -0.031 1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 31 121.979 0.649 0.476 1.00 0.00 H new ATOM 0 HG21 ILE A 31 118.672 2.168 1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 31 117.866 1.680 -0.104 1.00 0.00 H new ATOM 0 HG23 ILE A 31 118.353 0.447 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 31 121.986 1.725 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 31 121.565 2.909 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 31 120.291 2.218 2.486 1.00 0.00 H new ATOM 481 N ARG A 32 117.770 -0.086 -2.250 1.00 0.00 N ATOM 482 CA ARG A 32 116.725 0.249 -3.261 1.00 0.00 C ATOM 483 C ARG A 32 115.333 0.175 -2.627 1.00 0.00 C ATOM 484 O ARG A 32 115.101 -0.560 -1.690 1.00 0.00 O ATOM 485 CB ARG A 32 116.884 -0.793 -4.367 1.00 0.00 C ATOM 486 CG ARG A 32 118.241 -0.617 -5.048 1.00 0.00 C ATOM 487 CD ARG A 32 118.258 0.711 -5.808 1.00 0.00 C ATOM 488 NE ARG A 32 117.121 0.611 -6.761 1.00 0.00 N ATOM 489 CZ ARG A 32 117.239 -0.112 -7.838 1.00 0.00 C ATOM 490 NH1 ARG A 32 118.101 0.224 -8.757 1.00 0.00 N1+ ATOM 491 NH2 ARG A 32 116.496 -1.173 -7.993 1.00 0.00 N ATOM 0 H ARG A 32 117.541 -0.865 -1.632 1.00 0.00 H new ATOM 0 HA ARG A 32 116.836 1.261 -3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 32 116.803 -1.796 -3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 32 116.083 -0.687 -5.098 1.00 0.00 H new ATOM 0 HG2 ARG A 32 119.038 -0.634 -4.305 1.00 0.00 H new ATOM 0 HG3 ARG A 32 118.426 -1.444 -5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 32 118.135 1.557 -5.131 1.00 0.00 H new ATOM 0 HD3 ARG A 32 119.203 0.856 -6.332 1.00 0.00 H new ATOM 0 HE ARG A 32 116.250 1.108 -6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 32 118.683 1.053 -8.632 1.00 0.00 H new ATOM 0 HH12 ARG A 32 118.194 -0.342 -9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 32 115.824 -1.435 -7.272 1.00 0.00 H new ATOM 0 HH22 ARG A 32 116.587 -1.741 -8.836 1.00 0.00 H new ATOM 505 N VAL A 33 114.411 0.958 -3.125 1.00 0.00 N ATOM 506 CA VAL A 33 113.034 0.969 -2.550 1.00 0.00 C ATOM 507 C VAL A 33 111.987 0.650 -3.620 1.00 0.00 C ATOM 508 O VAL A 33 112.057 1.123 -4.738 1.00 0.00 O ATOM 509 CB VAL A 33 112.820 2.393 -2.018 1.00 0.00 C ATOM 510 CG1 VAL A 33 113.700 2.623 -0.789 1.00 0.00 C ATOM 511 CG2 VAL A 33 113.173 3.423 -3.100 1.00 0.00 C ATOM 0 H VAL A 33 114.554 1.594 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 33 112.929 0.216 -1.769 1.00 0.00 H new ATOM 0 HB VAL A 33 111.772 2.511 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 33 113.545 3.635 -0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 33 113.436 1.905 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 33 114.747 2.494 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 33 113.017 4.429 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 33 114.217 3.304 -3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 33 112.536 3.269 -3.971 1.00 0.00 H new ATOM 521 N HIS A 34 111.002 -0.130 -3.269 1.00 0.00 N ATOM 522 CA HIS A 34 109.922 -0.469 -4.240 1.00 0.00 C ATOM 523 C HIS A 34 108.564 -0.102 -3.633 1.00 0.00 C ATOM 524 O HIS A 34 108.247 -0.466 -2.518 1.00 0.00 O ATOM 525 CB HIS A 34 110.028 -1.977 -4.472 1.00 0.00 C ATOM 526 CG HIS A 34 108.901 -2.431 -5.361 1.00 0.00 C ATOM 527 ND1 HIS A 34 109.026 -2.500 -6.739 1.00 0.00 N ATOM 528 CD2 HIS A 34 107.616 -2.830 -5.081 1.00 0.00 C ATOM 529 CE1 HIS A 34 107.849 -2.928 -7.232 1.00 0.00 C ATOM 530 NE2 HIS A 34 106.954 -3.143 -6.263 1.00 0.00 N ATOM 0 H HIS A 34 110.898 -0.550 -2.345 1.00 0.00 H new ATOM 0 HA HIS A 34 110.019 0.075 -5.179 1.00 0.00 H new ATOM 0 HB2 HIS A 34 110.987 -2.218 -4.931 1.00 0.00 H new ATOM 0 HB3 HIS A 34 109.989 -2.505 -3.519 1.00 0.00 H new ATOM 0 HD2 HIS A 34 107.186 -2.891 -4.092 1.00 0.00 H new ATOM 0 HE1 HIS A 34 107.652 -3.079 -8.283 1.00 0.00 H new ATOM 0 HE2 HIS A 34 105.993 -3.467 -6.368 1.00 0.00 H new ATOM 538 N LEU A 35 107.774 0.634 -4.360 1.00 0.00 N ATOM 539 CA LEU A 35 106.444 1.060 -3.842 1.00 0.00 C ATOM 540 C LEU A 35 105.294 0.468 -4.668 1.00 0.00 C ATOM 541 O LEU A 35 105.243 0.588 -5.876 1.00 0.00 O ATOM 542 CB LEU A 35 106.459 2.580 -3.974 1.00 0.00 C ATOM 543 CG LEU A 35 105.216 3.152 -3.302 1.00 0.00 C ATOM 544 CD1 LEU A 35 105.239 2.803 -1.811 1.00 0.00 C ATOM 545 CD2 LEU A 35 105.205 4.671 -3.472 1.00 0.00 C ATOM 0 H LEU A 35 107.994 0.962 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 35 106.283 0.719 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 35 107.358 2.989 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 35 106.483 2.866 -5.026 1.00 0.00 H new ATOM 0 HG LEU A 35 104.322 2.728 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 35 104.351 3.211 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 35 105.252 1.720 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 35 106.130 3.230 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.318 5.084 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.097 5.095 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 35 105.193 4.918 -4.534 1.00 0.00 H new ATOM 557 N GLU A 36 104.356 -0.143 -3.991 1.00 0.00 N ATOM 558 CA GLU A 36 103.161 -0.734 -4.669 1.00 0.00 C ATOM 559 C GLU A 36 101.941 -0.562 -3.751 1.00 0.00 C ATOM 560 O GLU A 36 102.071 -0.227 -2.589 1.00 0.00 O ATOM 561 CB GLU A 36 103.498 -2.210 -4.895 1.00 0.00 C ATOM 562 CG GLU A 36 102.369 -2.897 -5.667 1.00 0.00 C ATOM 563 CD GLU A 36 102.733 -4.368 -5.910 1.00 0.00 C ATOM 564 OE1 GLU A 36 103.678 -4.842 -5.295 1.00 0.00 O1- ATOM 565 OE2 GLU A 36 102.058 -4.998 -6.705 1.00 0.00 O ATOM 0 H GLU A 36 104.368 -0.260 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 36 102.924 -0.253 -5.618 1.00 0.00 H new ATOM 0 HB2 GLU A 36 104.433 -2.297 -5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 36 103.648 -2.707 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 36 101.437 -2.830 -5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 36 102.204 -2.391 -6.618 1.00 0.00 H new ATOM 572 N LYS A 37 100.754 -0.741 -4.278 1.00 0.00 N ATOM 573 CA LYS A 37 99.528 -0.535 -3.449 1.00 0.00 C ATOM 574 C LYS A 37 99.220 -1.724 -2.520 1.00 0.00 C ATOM 575 O LYS A 37 99.431 -1.651 -1.324 1.00 0.00 O ATOM 576 CB LYS A 37 98.390 -0.288 -4.446 1.00 0.00 C ATOM 577 CG LYS A 37 98.519 1.122 -5.047 1.00 0.00 C ATOM 578 CD LYS A 37 97.405 1.355 -6.080 1.00 0.00 C ATOM 579 CE LYS A 37 97.541 2.764 -6.673 1.00 0.00 C ATOM 580 NZ LYS A 37 96.446 2.879 -7.679 1.00 0.00 N1+ ATOM 0 H LYS A 37 100.583 -1.020 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 37 99.665 0.308 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 37 98.421 -1.035 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 37 97.427 -0.393 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 37 98.457 1.870 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 37 99.495 1.238 -5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 37 97.467 0.608 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 37 96.429 1.240 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 37 97.445 3.526 -5.900 1.00 0.00 H new ATOM 0 HE3 LYS A 37 98.517 2.902 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 96.480 3.819 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 96.566 2.147 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 95.527 2.752 -7.208 1.00 0.00 H new ATOM 594 N THR A 38 98.735 -2.819 -3.049 1.00 0.00 N ATOM 595 CA THR A 38 98.435 -4.001 -2.175 1.00 0.00 C ATOM 596 C THR A 38 98.838 -5.298 -2.884 1.00 0.00 C ATOM 597 O THR A 38 98.906 -5.361 -4.096 1.00 0.00 O ATOM 598 CB THR A 38 96.924 -3.975 -1.949 1.00 0.00 C ATOM 599 OG1 THR A 38 96.537 -5.133 -1.220 1.00 0.00 O ATOM 600 CG2 THR A 38 96.214 -3.967 -3.302 1.00 0.00 C ATOM 0 H THR A 38 98.534 -2.948 -4.041 1.00 0.00 H new ATOM 0 HA THR A 38 98.986 -3.957 -1.235 1.00 0.00 H new ATOM 0 HB THR A 38 96.652 -3.082 -1.386 1.00 0.00 H new ATOM 0 HG1 THR A 38 95.568 -5.118 -1.072 1.00 0.00 H new ATOM 0 HG21 THR A 38 95.135 -3.948 -3.147 1.00 0.00 H new ATOM 0 HG22 THR A 38 96.515 -3.084 -3.865 1.00 0.00 H new ATOM 0 HG23 THR A 38 96.485 -4.863 -3.860 1.00 0.00 H new ATOM 608 N SER A 39 99.095 -6.336 -2.132 1.00 0.00 N ATOM 609 CA SER A 39 99.484 -7.636 -2.745 1.00 0.00 C ATOM 610 C SER A 39 98.300 -8.607 -2.740 1.00 0.00 C ATOM 611 O SER A 39 97.302 -8.384 -2.084 1.00 0.00 O ATOM 612 CB SER A 39 100.608 -8.166 -1.859 1.00 0.00 C ATOM 613 OG SER A 39 100.182 -8.152 -0.503 1.00 0.00 O ATOM 0 H SER A 39 99.051 -6.337 -1.113 1.00 0.00 H new ATOM 0 HA SER A 39 99.795 -7.523 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 39 100.875 -9.180 -2.158 1.00 0.00 H new ATOM 0 HB3 SER A 39 101.501 -7.552 -1.978 1.00 0.00 H new ATOM 0 HG SER A 39 100.901 -8.493 0.069 1.00 0.00 H new ATOM 619 N GLU A 40 98.413 -9.690 -3.452 1.00 0.00 N ATOM 620 CA GLU A 40 97.308 -10.695 -3.481 1.00 0.00 C ATOM 621 C GLU A 40 97.696 -11.950 -2.682 1.00 0.00 C ATOM 622 O GLU A 40 96.862 -12.774 -2.364 1.00 0.00 O ATOM 623 CB GLU A 40 97.123 -11.040 -4.959 1.00 0.00 C ATOM 624 CG GLU A 40 95.901 -11.948 -5.119 1.00 0.00 C ATOM 625 CD GLU A 40 95.684 -12.275 -6.601 1.00 0.00 C ATOM 626 OE1 GLU A 40 96.319 -11.646 -7.434 1.00 0.00 O ATOM 627 OE2 GLU A 40 94.875 -13.143 -6.879 1.00 0.00 O1- ATOM 0 H GLU A 40 99.226 -9.927 -4.020 1.00 0.00 H new ATOM 0 HA GLU A 40 96.394 -10.307 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 40 96.992 -10.129 -5.543 1.00 0.00 H new ATOM 0 HB3 GLU A 40 98.013 -11.539 -5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 40 96.044 -12.868 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 40 95.017 -11.457 -4.713 1.00 0.00 H new ATOM 634 N ILE A 41 98.952 -12.105 -2.358 1.00 0.00 N ATOM 635 CA ILE A 41 99.395 -13.303 -1.586 1.00 0.00 C ATOM 636 C ILE A 41 100.109 -12.854 -0.289 1.00 0.00 C ATOM 637 O ILE A 41 99.531 -12.133 0.502 1.00 0.00 O ATOM 638 CB ILE A 41 100.333 -14.056 -2.536 1.00 0.00 C ATOM 639 CG1 ILE A 41 101.444 -13.112 -3.014 1.00 0.00 C ATOM 640 CG2 ILE A 41 99.547 -14.563 -3.745 1.00 0.00 C ATOM 641 CD1 ILE A 41 102.607 -13.933 -3.565 1.00 0.00 C ATOM 0 H ILE A 41 99.695 -11.449 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 41 98.571 -13.942 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 41 100.772 -14.903 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 41 101.061 -12.442 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 41 101.785 -12.487 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.218 -15.098 -4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 41 98.758 -15.236 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 41 99.104 -13.718 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A 41 103.397 -13.263 -3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 41 102.996 -14.584 -2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 41 102.260 -14.539 -4.402 1.00 0.00 H new ATOM 653 N ASP A 42 101.357 -13.230 -0.058 1.00 0.00 N ATOM 654 CA ASP A 42 102.044 -12.768 1.174 1.00 0.00 C ATOM 655 C ASP A 42 103.158 -11.790 0.793 1.00 0.00 C ATOM 656 O ASP A 42 103.841 -11.964 -0.197 1.00 0.00 O ATOM 657 CB ASP A 42 102.612 -14.026 1.833 1.00 0.00 C ATOM 658 CG ASP A 42 101.467 -14.910 2.341 1.00 0.00 C ATOM 659 OD1 ASP A 42 100.347 -14.428 2.400 1.00 0.00 O1- ATOM 660 OD2 ASP A 42 101.733 -16.056 2.662 1.00 0.00 O ATOM 0 H ASP A 42 101.911 -13.829 -0.670 1.00 0.00 H new ATOM 0 HA ASP A 42 101.373 -12.247 1.857 1.00 0.00 H new ATOM 0 HB2 ASP A 42 103.220 -14.579 1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 42 103.265 -13.750 2.661 1.00 0.00 H new ATOM 665 N VAL A 43 103.330 -10.750 1.557 1.00 0.00 N ATOM 666 CA VAL A 43 104.381 -9.744 1.225 1.00 0.00 C ATOM 667 C VAL A 43 105.788 -10.341 1.313 1.00 0.00 C ATOM 668 O VAL A 43 106.616 -10.112 0.457 1.00 0.00 O ATOM 669 CB VAL A 43 104.211 -8.630 2.254 1.00 0.00 C ATOM 670 CG1 VAL A 43 105.279 -7.557 2.024 1.00 0.00 C ATOM 671 CG2 VAL A 43 102.821 -8.010 2.105 1.00 0.00 C ATOM 0 H VAL A 43 102.789 -10.551 2.398 1.00 0.00 H new ATOM 0 HA VAL A 43 104.270 -9.386 0.202 1.00 0.00 H new ATOM 0 HB VAL A 43 104.320 -9.040 3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 43 105.159 -6.761 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 43 106.269 -8.001 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 43 105.171 -7.145 1.021 1.00 0.00 H new ATOM 0 HG21 VAL A 43 102.697 -7.214 2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 43 102.712 -7.599 1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 43 102.062 -8.775 2.268 1.00 0.00 H new ATOM 681 N PHE A 44 106.071 -11.095 2.337 1.00 0.00 N ATOM 682 CA PHE A 44 107.434 -11.689 2.458 1.00 0.00 C ATOM 683 C PHE A 44 107.734 -12.547 1.223 1.00 0.00 C ATOM 684 O PHE A 44 108.786 -12.431 0.627 1.00 0.00 O ATOM 685 CB PHE A 44 107.379 -12.542 3.729 1.00 0.00 C ATOM 686 CG PHE A 44 108.720 -13.192 3.959 1.00 0.00 C ATOM 687 CD1 PHE A 44 109.803 -12.428 4.410 1.00 0.00 C ATOM 688 CD2 PHE A 44 108.880 -14.562 3.723 1.00 0.00 C ATOM 689 CE1 PHE A 44 111.048 -13.035 4.621 1.00 0.00 C ATOM 690 CE2 PHE A 44 110.123 -15.169 3.935 1.00 0.00 C ATOM 691 CZ PHE A 44 111.208 -14.406 4.385 1.00 0.00 C ATOM 0 H PHE A 44 105.424 -11.326 3.091 1.00 0.00 H new ATOM 0 HA PHE A 44 108.222 -10.938 2.517 1.00 0.00 H new ATOM 0 HB2 PHE A 44 107.113 -11.921 4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 44 106.605 -13.304 3.635 1.00 0.00 H new ATOM 0 HD1 PHE A 44 109.679 -11.371 4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 44 108.044 -15.151 3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 44 111.885 -12.445 4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 44 110.246 -16.226 3.752 1.00 0.00 H new ATOM 0 HZ PHE A 44 112.167 -14.875 4.550 1.00 0.00 H new ATOM 701 N ASP A 45 106.814 -13.373 0.805 1.00 0.00 N ATOM 702 CA ASP A 45 107.057 -14.189 -0.425 1.00 0.00 C ATOM 703 C ASP A 45 107.003 -13.268 -1.653 1.00 0.00 C ATOM 704 O ASP A 45 107.774 -13.414 -2.580 1.00 0.00 O ATOM 705 CB ASP A 45 105.918 -15.211 -0.460 1.00 0.00 C ATOM 706 CG ASP A 45 106.065 -16.115 -1.689 1.00 0.00 C ATOM 707 OD1 ASP A 45 107.123 -16.097 -2.297 1.00 0.00 O1- ATOM 708 OD2 ASP A 45 105.115 -16.816 -1.998 1.00 0.00 O ATOM 0 H ASP A 45 105.911 -13.520 1.256 1.00 0.00 H new ATOM 0 HA ASP A 45 108.029 -14.682 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 45 105.930 -15.813 0.449 1.00 0.00 H new ATOM 0 HB3 ASP A 45 104.957 -14.697 -0.489 1.00 0.00 H new ATOM 713 N ARG A 46 106.106 -12.319 -1.668 1.00 0.00 N ATOM 714 CA ARG A 46 106.020 -11.395 -2.839 1.00 0.00 C ATOM 715 C ARG A 46 107.304 -10.572 -2.982 1.00 0.00 C ATOM 716 O ARG A 46 107.806 -10.397 -4.075 1.00 0.00 O ATOM 717 CB ARG A 46 104.826 -10.483 -2.551 1.00 0.00 C ATOM 718 CG ARG A 46 104.594 -9.555 -3.747 1.00 0.00 C ATOM 719 CD ARG A 46 103.346 -8.704 -3.497 1.00 0.00 C ATOM 720 NE ARG A 46 103.088 -7.993 -4.783 1.00 0.00 N ATOM 721 CZ ARG A 46 102.046 -7.211 -4.900 1.00 0.00 C ATOM 722 NH1 ARG A 46 101.838 -6.264 -4.030 1.00 0.00 N1+ ATOM 723 NH2 ARG A 46 101.208 -7.378 -5.884 1.00 0.00 N ATOM 0 H ARG A 46 105.431 -12.143 -0.924 1.00 0.00 H new ATOM 0 HA ARG A 46 105.897 -11.943 -3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 46 103.935 -11.081 -2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 46 105.012 -9.896 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 46 105.462 -8.912 -3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 46 104.471 -10.141 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 46 102.497 -9.326 -3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 46 103.509 -7.997 -2.683 1.00 0.00 H new ATOM 0 HE ARG A 46 103.724 -8.117 -5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 46 102.488 -6.131 -3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 46 101.025 -5.655 -4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 46 101.364 -8.120 -6.566 1.00 0.00 H new ATOM 0 HH22 ARG A 46 100.396 -6.766 -5.972 1.00 0.00 H new ATOM 737 N ALA A 47 107.853 -10.069 -1.907 1.00 0.00 N ATOM 738 CA ALA A 47 109.108 -9.272 -2.028 1.00 0.00 C ATOM 739 C ALA A 47 110.267 -10.170 -2.473 1.00 0.00 C ATOM 740 O ALA A 47 111.095 -9.779 -3.266 1.00 0.00 O ATOM 741 CB ALA A 47 109.370 -8.697 -0.637 1.00 0.00 C ATOM 0 H ALA A 47 107.490 -10.174 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 47 109.016 -8.482 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 47 110.281 -8.099 -0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 47 108.530 -8.070 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 47 109.486 -9.512 0.078 1.00 0.00 H new ATOM 747 N MET A 48 110.327 -11.378 -1.975 1.00 0.00 N ATOM 748 CA MET A 48 111.429 -12.295 -2.389 1.00 0.00 C ATOM 749 C MET A 48 111.323 -12.572 -3.891 1.00 0.00 C ATOM 750 O MET A 48 112.305 -12.537 -4.606 1.00 0.00 O ATOM 751 CB MET A 48 111.210 -13.578 -1.582 1.00 0.00 C ATOM 752 CG MET A 48 112.358 -14.554 -1.849 1.00 0.00 C ATOM 753 SD MET A 48 112.145 -16.036 -0.828 1.00 0.00 S ATOM 754 CE MET A 48 110.661 -16.675 -1.644 1.00 0.00 C ATOM 0 H MET A 48 109.665 -11.767 -1.304 1.00 0.00 H new ATOM 0 HA MET A 48 112.418 -11.875 -2.205 1.00 0.00 H new ATOM 0 HB2 MET A 48 111.156 -13.346 -0.518 1.00 0.00 H new ATOM 0 HB3 MET A 48 110.259 -14.035 -1.857 1.00 0.00 H new ATOM 0 HG2 MET A 48 112.379 -14.827 -2.904 1.00 0.00 H new ATOM 0 HG3 MET A 48 113.313 -14.079 -1.624 1.00 0.00 H new ATOM 0 HE1 MET A 48 110.620 -17.758 -1.529 1.00 0.00 H new ATOM 0 HE2 MET A 48 109.776 -16.229 -1.191 1.00 0.00 H new ATOM 0 HE3 MET A 48 110.692 -16.424 -2.704 1.00 0.00 H new ATOM 764 N ASP A 49 110.144 -12.827 -4.382 1.00 0.00 N ATOM 765 CA ASP A 49 109.993 -13.080 -5.843 1.00 0.00 C ATOM 766 C ASP A 49 110.385 -11.819 -6.624 1.00 0.00 C ATOM 767 O ASP A 49 111.115 -11.878 -7.593 1.00 0.00 O ATOM 768 CB ASP A 49 108.513 -13.422 -6.045 1.00 0.00 C ATOM 769 CG ASP A 49 108.272 -13.901 -7.481 1.00 0.00 C ATOM 770 OD1 ASP A 49 109.200 -13.854 -8.270 1.00 0.00 O ATOM 771 OD2 ASP A 49 107.160 -14.310 -7.766 1.00 0.00 O1- ATOM 0 H ASP A 49 109.281 -12.871 -3.839 1.00 0.00 H new ATOM 0 HA ASP A 49 110.633 -13.887 -6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 49 108.212 -14.197 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 49 107.898 -12.546 -5.838 1.00 0.00 H new ATOM 776 N VAL A 50 109.915 -10.680 -6.197 1.00 0.00 N ATOM 777 CA VAL A 50 110.262 -9.403 -6.892 1.00 0.00 C ATOM 778 C VAL A 50 111.756 -9.087 -6.745 1.00 0.00 C ATOM 779 O VAL A 50 112.405 -8.707 -7.701 1.00 0.00 O ATOM 780 CB VAL A 50 109.408 -8.339 -6.204 1.00 0.00 C ATOM 781 CG1 VAL A 50 109.768 -6.951 -6.742 1.00 0.00 C ATOM 782 CG2 VAL A 50 107.931 -8.628 -6.476 1.00 0.00 C ATOM 0 H VAL A 50 109.300 -10.576 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 50 110.068 -9.454 -7.963 1.00 0.00 H new ATOM 0 HB VAL A 50 109.596 -8.362 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 50 109.155 -6.198 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 50 110.821 -6.747 -6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 50 109.585 -6.918 -7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 50 107.316 -7.872 -5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 50 107.748 -8.606 -7.550 1.00 0.00 H new ATOM 0 HG23 VAL A 50 107.675 -9.612 -6.084 1.00 0.00 H new ATOM 792 N PHE A 51 112.312 -9.237 -5.575 1.00 0.00 N ATOM 793 CA PHE A 51 113.763 -8.935 -5.412 1.00 0.00 C ATOM 794 C PHE A 51 114.565 -9.813 -6.373 1.00 0.00 C ATOM 795 O PHE A 51 115.426 -9.338 -7.087 1.00 0.00 O ATOM 796 CB PHE A 51 114.085 -9.291 -3.959 1.00 0.00 C ATOM 797 CG PHE A 51 115.461 -8.776 -3.602 1.00 0.00 C ATOM 798 CD1 PHE A 51 116.603 -9.282 -4.236 1.00 0.00 C ATOM 799 CD2 PHE A 51 115.589 -7.774 -2.643 1.00 0.00 C ATOM 800 CE1 PHE A 51 117.864 -8.786 -3.906 1.00 0.00 C ATOM 801 CE2 PHE A 51 116.854 -7.270 -2.312 1.00 0.00 C ATOM 802 CZ PHE A 51 117.992 -7.777 -2.946 1.00 0.00 C ATOM 0 H PHE A 51 111.831 -9.552 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 51 114.008 -7.896 -5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 51 113.339 -8.856 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 51 114.043 -10.371 -3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 51 116.507 -10.057 -4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 51 114.710 -7.384 -2.152 1.00 0.00 H new ATOM 0 HE1 PHE A 51 118.743 -9.182 -4.393 1.00 0.00 H new ATOM 0 HE2 PHE A 51 116.949 -6.492 -1.569 1.00 0.00 H new ATOM 0 HZ PHE A 51 118.969 -7.390 -2.695 1.00 0.00 H new ATOM 812 N HIS A 52 114.284 -11.084 -6.414 1.00 0.00 N ATOM 813 CA HIS A 52 115.024 -11.977 -7.353 1.00 0.00 C ATOM 814 C HIS A 52 114.600 -11.660 -8.791 1.00 0.00 C ATOM 815 O HIS A 52 115.400 -11.699 -9.704 1.00 0.00 O ATOM 816 CB HIS A 52 114.627 -13.398 -6.954 1.00 0.00 C ATOM 817 CG HIS A 52 115.238 -13.753 -5.625 1.00 0.00 C ATOM 818 ND1 HIS A 52 115.145 -13.172 -4.383 1.00 0.00 N flip ATOM 819 CD2 HIS A 52 116.067 -14.852 -5.465 1.00 0.00 C flip ATOM 820 CE1 HIS A 52 115.899 -13.899 -3.467 1.00 0.00 C flip ATOM 821 NE2 HIS A 52 116.434 -14.900 -4.172 1.00 0.00 N flip ATOM 0 H HIS A 52 113.577 -11.544 -5.841 1.00 0.00 H new ATOM 0 HA HIS A 52 116.105 -11.847 -7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 52 113.541 -13.478 -6.897 1.00 0.00 H new ATOM 0 HB3 HIS A 52 114.959 -14.104 -7.715 1.00 0.00 H new ATOM 0 HD2 HIS A 52 116.364 -15.544 -6.239 1.00 0.00 H new ATOM 0 HE1 HIS A 52 116.025 -13.698 -2.413 1.00 0.00 H new ATOM 0 HE2 HIS A 52 117.046 -15.614 -3.777 1.00 0.00 H new ATOM 829 N ASN A 53 113.353 -11.339 -9.001 1.00 0.00 N ATOM 830 CA ASN A 53 112.893 -11.014 -10.384 1.00 0.00 C ATOM 831 C ASN A 53 113.654 -9.795 -10.917 1.00 0.00 C ATOM 832 O ASN A 53 114.009 -9.740 -12.078 1.00 0.00 O ATOM 833 CB ASN A 53 111.404 -10.700 -10.262 1.00 0.00 C ATOM 834 CG ASN A 53 110.606 -12.003 -10.219 1.00 0.00 C ATOM 835 OD1 ASN A 53 111.142 -13.068 -10.457 1.00 0.00 O ATOM 836 ND2 ASN A 53 109.334 -11.963 -9.933 1.00 0.00 N ATOM 0 H ASN A 53 112.634 -11.287 -8.279 1.00 0.00 H new ATOM 0 HA ASN A 53 113.072 -11.837 -11.076 1.00 0.00 H new ATOM 0 HB2 ASN A 53 111.218 -10.118 -9.359 1.00 0.00 H new ATOM 0 HB3 ASN A 53 111.080 -10.091 -11.106 1.00 0.00 H new ATOM 0 HD21 ASN A 53 108.789 -12.825 -9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 53 108.884 -11.070 -9.733 1.00 0.00 H new ATOM 843 N LEU A 54 113.930 -8.830 -10.084 1.00 0.00 N ATOM 844 CA LEU A 54 114.693 -7.639 -10.562 1.00 0.00 C ATOM 845 C LEU A 54 116.205 -7.929 -10.573 1.00 0.00 C ATOM 846 O LEU A 54 117.003 -7.047 -10.821 1.00 0.00 O ATOM 847 CB LEU A 54 114.369 -6.529 -9.567 1.00 0.00 C ATOM 848 CG LEU A 54 112.878 -6.213 -9.643 1.00 0.00 C ATOM 849 CD1 LEU A 54 112.521 -5.170 -8.585 1.00 0.00 C ATOM 850 CD2 LEU A 54 112.550 -5.669 -11.035 1.00 0.00 C ATOM 0 H LEU A 54 113.663 -8.812 -9.100 1.00 0.00 H new ATOM 0 HA LEU A 54 114.420 -7.366 -11.581 1.00 0.00 H new ATOM 0 HB2 LEU A 54 114.637 -6.839 -8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 54 114.955 -5.638 -9.793 1.00 0.00 H new ATOM 0 HG LEU A 54 112.301 -7.119 -9.460 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.456 -4.945 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.759 -5.560 -7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 54 113.094 -4.260 -8.764 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.486 -5.441 -11.095 1.00 0.00 H new ATOM 0 HD22 LEU A 54 113.126 -4.761 -11.216 1.00 0.00 H new ATOM 0 HD23 LEU A 54 112.804 -6.416 -11.787 1.00 0.00 H new ATOM 862 N LYS A 55 116.602 -9.152 -10.297 1.00 0.00 N ATOM 863 CA LYS A 55 118.043 -9.507 -10.287 1.00 0.00 C ATOM 864 C LYS A 55 118.819 -8.605 -9.335 1.00 0.00 C ATOM 865 O LYS A 55 119.973 -8.301 -9.561 1.00 0.00 O ATOM 866 CB LYS A 55 118.533 -9.309 -11.718 1.00 0.00 C ATOM 867 CG LYS A 55 117.886 -10.336 -12.642 1.00 0.00 C ATOM 868 CD LYS A 55 118.422 -10.122 -14.056 1.00 0.00 C ATOM 869 CE LYS A 55 117.755 -11.103 -15.018 1.00 0.00 C ATOM 870 NZ LYS A 55 118.433 -10.865 -16.321 1.00 0.00 N1+ ATOM 0 H LYS A 55 115.972 -9.923 -10.076 1.00 0.00 H new ATOM 0 HA LYS A 55 118.193 -10.531 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.292 -8.301 -12.057 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.618 -9.407 -11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 55 118.110 -11.347 -12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 55 116.801 -10.228 -12.628 1.00 0.00 H new ATOM 0 HD2 LYS A 55 118.230 -9.098 -14.376 1.00 0.00 H new ATOM 0 HD3 LYS A 55 119.503 -10.263 -14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 55 117.883 -12.133 -14.686 1.00 0.00 H new ATOM 0 HE3 LYS A 55 116.683 -10.922 -15.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 118.034 -11.500 -17.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 118.288 -9.877 -16.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 119.451 -11.051 -16.222 1.00 0.00 H new ATOM 884 N MET A 56 118.204 -8.184 -8.270 1.00 0.00 N ATOM 885 CA MET A 56 118.922 -7.313 -7.302 1.00 0.00 C ATOM 886 C MET A 56 120.005 -8.128 -6.594 1.00 0.00 C ATOM 887 O MET A 56 120.997 -7.593 -6.140 1.00 0.00 O ATOM 888 CB MET A 56 117.864 -6.839 -6.314 1.00 0.00 C ATOM 889 CG MET A 56 116.992 -5.769 -6.970 1.00 0.00 C ATOM 890 SD MET A 56 115.762 -5.198 -5.777 1.00 0.00 S ATOM 891 CE MET A 56 116.924 -4.330 -4.696 1.00 0.00 C ATOM 0 H MET A 56 117.238 -8.404 -8.027 1.00 0.00 H new ATOM 0 HA MET A 56 119.413 -6.468 -7.784 1.00 0.00 H new ATOM 0 HB2 MET A 56 117.248 -7.679 -5.995 1.00 0.00 H new ATOM 0 HB3 MET A 56 118.341 -6.436 -5.420 1.00 0.00 H new ATOM 0 HG2 MET A 56 117.608 -4.934 -7.304 1.00 0.00 H new ATOM 0 HG3 MET A 56 116.499 -6.175 -7.853 1.00 0.00 H new ATOM 0 HE1 MET A 56 116.373 -3.683 -4.014 1.00 0.00 H new ATOM 0 HE2 MET A 56 117.499 -5.057 -4.122 1.00 0.00 H new ATOM 0 HE3 MET A 56 117.602 -3.727 -5.300 1.00 0.00 H new ATOM 901 N ASP A 57 119.832 -9.420 -6.512 1.00 0.00 N ATOM 902 CA ASP A 57 120.862 -10.273 -5.846 1.00 0.00 C ATOM 903 C ASP A 57 122.147 -10.315 -6.683 1.00 0.00 C ATOM 904 O ASP A 57 123.148 -10.850 -6.249 1.00 0.00 O ATOM 905 CB ASP A 57 120.241 -11.669 -5.772 1.00 0.00 C ATOM 906 CG ASP A 57 119.047 -11.661 -4.818 1.00 0.00 C ATOM 907 OD1 ASP A 57 119.236 -11.316 -3.664 1.00 0.00 O ATOM 908 OD2 ASP A 57 117.961 -12.002 -5.260 1.00 0.00 O1- ATOM 0 H ASP A 57 119.023 -9.923 -6.877 1.00 0.00 H new ATOM 0 HA ASP A 57 121.131 -9.888 -4.862 1.00 0.00 H new ATOM 0 HB2 ASP A 57 119.922 -11.987 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 57 120.985 -12.389 -5.431 1.00 0.00 H new ATOM 913 N ASN A 58 122.141 -9.771 -7.877 1.00 0.00 N ATOM 914 CA ASN A 58 123.379 -9.812 -8.702 1.00 0.00 C ATOM 915 C ASN A 58 124.283 -8.619 -8.382 1.00 0.00 C ATOM 916 O ASN A 58 124.341 -7.643 -9.102 1.00 0.00 O ATOM 917 CB ASN A 58 122.911 -9.768 -10.154 1.00 0.00 C ATOM 918 CG ASN A 58 122.238 -11.090 -10.518 1.00 0.00 C ATOM 919 OD1 ASN A 58 122.414 -12.083 -9.841 1.00 0.00 O ATOM 920 ND2 ASN A 58 121.466 -11.143 -11.568 1.00 0.00 N ATOM 0 H ASN A 58 121.341 -9.307 -8.307 1.00 0.00 H new ATOM 0 HA ASN A 58 123.966 -10.708 -8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 58 122.214 -8.942 -10.297 1.00 0.00 H new ATOM 0 HB3 ASN A 58 123.759 -9.587 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 58 121.009 -12.019 -11.821 1.00 0.00 H new ATOM 0 HD22 ASN A 58 121.319 -10.308 -12.136 1.00 0.00 H new ATOM 927 N THR A 59 125.020 -8.734 -7.317 1.00 0.00 N ATOM 928 CA THR A 59 125.985 -7.669 -6.916 1.00 0.00 C ATOM 929 C THR A 59 127.275 -8.371 -6.483 1.00 0.00 C ATOM 930 O THR A 59 127.267 -9.539 -6.144 1.00 0.00 O ATOM 931 CB THR A 59 125.330 -6.940 -5.734 1.00 0.00 C ATOM 932 OG1 THR A 59 125.104 -7.847 -4.661 1.00 0.00 O ATOM 933 CG2 THR A 59 123.999 -6.325 -6.175 1.00 0.00 C ATOM 0 H THR A 59 124.996 -9.539 -6.691 1.00 0.00 H new ATOM 0 HA THR A 59 126.219 -6.961 -7.711 1.00 0.00 H new ATOM 0 HB THR A 59 126.000 -6.149 -5.396 1.00 0.00 H new ATOM 0 HG1 THR A 59 124.996 -7.345 -3.826 1.00 0.00 H new ATOM 0 HG21 THR A 59 123.539 -5.809 -5.332 1.00 0.00 H new ATOM 0 HG22 THR A 59 124.176 -5.614 -6.982 1.00 0.00 H new ATOM 0 HG23 THR A 59 123.332 -7.113 -6.525 1.00 0.00 H new ATOM 941 N LYS A 60 128.382 -7.694 -6.530 1.00 0.00 N ATOM 942 CA LYS A 60 129.671 -8.352 -6.166 1.00 0.00 C ATOM 943 C LYS A 60 129.702 -8.833 -4.716 1.00 0.00 C ATOM 944 O LYS A 60 130.149 -9.930 -4.441 1.00 0.00 O ATOM 945 CB LYS A 60 130.732 -7.279 -6.396 1.00 0.00 C ATOM 946 CG LYS A 60 130.767 -6.897 -7.877 1.00 0.00 C ATOM 947 CD LYS A 60 131.220 -8.099 -8.711 1.00 0.00 C ATOM 948 CE LYS A 60 131.278 -7.702 -10.183 1.00 0.00 C ATOM 949 NZ LYS A 60 131.795 -8.910 -10.883 1.00 0.00 N1+ ATOM 0 H LYS A 60 128.455 -6.714 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 60 129.831 -9.248 -6.765 1.00 0.00 H new ATOM 0 HB2 LYS A 60 130.512 -6.401 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 60 131.709 -7.647 -6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 60 129.779 -6.569 -8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 60 131.447 -6.059 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 60 132.200 -8.439 -8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 60 130.530 -8.931 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 60 130.293 -7.420 -10.556 1.00 0.00 H new ATOM 0 HE3 LYS A 60 131.934 -6.845 -10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 131.864 -8.717 -11.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 132.736 -9.150 -10.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 131.146 -9.707 -10.724 1.00 0.00 H new ATOM 963 N LEU A 61 129.244 -8.041 -3.788 1.00 0.00 N ATOM 964 CA LEU A 61 129.270 -8.493 -2.368 1.00 0.00 C ATOM 965 C LEU A 61 127.894 -9.007 -1.921 1.00 0.00 C ATOM 966 O LEU A 61 127.722 -9.384 -0.780 1.00 0.00 O ATOM 967 CB LEU A 61 129.690 -7.270 -1.551 1.00 0.00 C ATOM 968 CG LEU A 61 131.061 -6.780 -2.022 1.00 0.00 C ATOM 969 CD1 LEU A 61 131.437 -5.510 -1.258 1.00 0.00 C ATOM 970 CD2 LEU A 61 132.114 -7.859 -1.759 1.00 0.00 C ATOM 0 H LEU A 61 128.857 -7.111 -3.947 1.00 0.00 H new ATOM 0 HA LEU A 61 129.962 -9.324 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 61 128.952 -6.476 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 61 129.728 -7.524 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 61 131.020 -6.568 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 61 132.414 -5.160 -1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 61 130.691 -4.738 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 61 131.475 -5.726 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 61 133.089 -7.506 -2.096 1.00 0.00 H new ATOM 0 HD22 LEU A 61 132.155 -8.075 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 61 131.849 -8.766 -2.302 1.00 0.00 H new ATOM 982 N GLN A 62 126.918 -9.034 -2.805 1.00 0.00 N ATOM 983 CA GLN A 62 125.562 -9.546 -2.428 1.00 0.00 C ATOM 984 C GLN A 62 124.980 -8.761 -1.256 1.00 0.00 C ATOM 985 O GLN A 62 124.221 -9.264 -0.464 1.00 0.00 O ATOM 986 CB GLN A 62 125.769 -11.017 -2.048 1.00 0.00 C ATOM 987 CG GLN A 62 126.334 -11.795 -3.243 1.00 0.00 C ATOM 988 CD GLN A 62 125.308 -11.835 -4.377 1.00 0.00 C ATOM 989 OE1 GLN A 62 124.166 -12.189 -4.166 1.00 0.00 O ATOM 990 NE2 GLN A 62 125.673 -11.494 -5.583 1.00 0.00 N ATOM 0 H GLN A 62 127.006 -8.722 -3.772 1.00 0.00 H new ATOM 0 HA GLN A 62 124.854 -9.435 -3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 62 126.452 -11.089 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 62 124.822 -11.456 -1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 62 127.254 -11.325 -3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 62 126.590 -12.810 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 62 126.632 -11.197 -5.761 1.00 0.00 H new ATOM 0 HE22 GLN A 62 124.999 -11.525 -6.348 1.00 0.00 H new ATOM 999 N ASN A 63 125.330 -7.504 -1.182 1.00 0.00 N ATOM 1000 CA ASN A 63 124.822 -6.612 -0.102 1.00 0.00 C ATOM 1001 C ASN A 63 123.827 -5.597 -0.670 1.00 0.00 C ATOM 1002 O ASN A 63 123.973 -4.400 -0.514 1.00 0.00 O ATOM 1003 CB ASN A 63 126.065 -5.916 0.457 1.00 0.00 C ATOM 1004 CG ASN A 63 126.876 -6.928 1.266 1.00 0.00 C ATOM 1005 OD1 ASN A 63 126.357 -7.945 1.674 1.00 0.00 O ATOM 1006 ND2 ASN A 63 128.135 -6.698 1.518 1.00 0.00 N ATOM 0 H ASN A 63 125.962 -7.049 -1.841 1.00 0.00 H new ATOM 0 HA ASN A 63 124.288 -7.163 0.673 1.00 0.00 H new ATOM 0 HB2 ASN A 63 126.669 -5.512 -0.356 1.00 0.00 H new ATOM 0 HB3 ASN A 63 125.775 -5.075 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 63 128.679 -7.372 2.056 1.00 0.00 H new ATOM 0 HD22 ASN A 63 128.576 -5.844 1.177 1.00 0.00 H new ATOM 1013 N GLY A 64 122.797 -6.088 -1.305 1.00 0.00 N ATOM 1014 CA GLY A 64 121.749 -5.192 -1.869 1.00 0.00 C ATOM 1015 C GLY A 64 120.516 -5.239 -0.956 1.00 0.00 C ATOM 1016 O GLY A 64 120.156 -6.279 -0.440 1.00 0.00 O ATOM 0 H GLY A 64 122.636 -7.084 -1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 64 122.125 -4.172 -1.944 1.00 0.00 H new ATOM 0 HA3 GLY A 64 121.484 -5.509 -2.878 1.00 0.00 H new ATOM 1020 N VAL A 65 119.867 -4.123 -0.749 1.00 0.00 N ATOM 1021 CA VAL A 65 118.661 -4.119 0.136 1.00 0.00 C ATOM 1022 C VAL A 65 117.439 -3.571 -0.618 1.00 0.00 C ATOM 1023 O VAL A 65 117.507 -2.552 -1.273 1.00 0.00 O ATOM 1024 CB VAL A 65 119.027 -3.191 1.317 1.00 0.00 C ATOM 1025 CG1 VAL A 65 117.779 -2.865 2.152 1.00 0.00 C ATOM 1026 CG2 VAL A 65 120.052 -3.874 2.220 1.00 0.00 C ATOM 0 H VAL A 65 120.116 -3.219 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 65 118.400 -5.123 0.471 1.00 0.00 H new ATOM 0 HB VAL A 65 119.443 -2.270 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 65 118.055 -2.211 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 65 117.042 -2.365 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 65 117.354 -3.788 2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 65 120.304 -3.213 3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 65 119.633 -4.802 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 65 120.952 -4.096 1.646 1.00 0.00 H new ATOM 1036 N LEU A 66 116.315 -4.224 -0.491 1.00 0.00 N ATOM 1037 CA LEU A 66 115.093 -3.715 -1.167 1.00 0.00 C ATOM 1038 C LEU A 66 114.041 -3.340 -0.125 1.00 0.00 C ATOM 1039 O LEU A 66 113.731 -4.114 0.761 1.00 0.00 O ATOM 1040 CB LEU A 66 114.582 -4.884 -1.997 1.00 0.00 C ATOM 1041 CG LEU A 66 113.315 -4.468 -2.751 1.00 0.00 C ATOM 1042 CD1 LEU A 66 113.611 -3.263 -3.648 1.00 0.00 C ATOM 1043 CD2 LEU A 66 112.821 -5.632 -3.616 1.00 0.00 C ATOM 0 H LEU A 66 116.193 -5.081 0.048 1.00 0.00 H new ATOM 0 HA LEU A 66 115.300 -2.832 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 66 115.348 -5.204 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 66 114.369 -5.736 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 66 112.547 -4.199 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 66 112.705 -2.974 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 66 113.954 -2.429 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 66 114.386 -3.527 -4.368 1.00 0.00 H new ATOM 0 HD21 LEU A 66 111.920 -5.331 -4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 66 113.594 -5.906 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 66 112.597 -6.488 -2.980 1.00 0.00 H new ATOM 1055 N ILE A 67 113.483 -2.167 -0.232 1.00 0.00 N ATOM 1056 CA ILE A 67 112.442 -1.774 0.758 1.00 0.00 C ATOM 1057 C ILE A 67 111.060 -1.860 0.104 1.00 0.00 C ATOM 1058 O ILE A 67 110.708 -1.070 -0.746 1.00 0.00 O ATOM 1059 CB ILE A 67 112.801 -0.350 1.187 1.00 0.00 C ATOM 1060 CG1 ILE A 67 114.207 -0.360 1.794 1.00 0.00 C ATOM 1061 CG2 ILE A 67 111.800 0.144 2.235 1.00 0.00 C ATOM 1062 CD1 ILE A 67 114.684 1.074 2.026 1.00 0.00 C ATOM 0 H ILE A 67 113.697 -1.474 -0.949 1.00 0.00 H new ATOM 0 HA ILE A 67 112.409 -2.429 1.628 1.00 0.00 H new ATOM 0 HB ILE A 67 112.769 0.314 0.323 1.00 0.00 H new ATOM 0 HG12 ILE A 67 114.202 -0.908 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 67 114.896 -0.879 1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 67 112.060 1.158 2.537 1.00 0.00 H new ATOM 0 HG22 ILE A 67 110.796 0.138 1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 67 111.830 -0.512 3.105 1.00 0.00 H new ATOM 0 HD11 ILE A 67 115.685 1.059 2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 67 114.707 1.608 1.076 1.00 0.00 H new ATOM 0 HD13 ILE A 67 114.001 1.578 2.710 1.00 0.00 H new ATOM 1074 N TYR A 68 110.286 -2.837 0.490 1.00 0.00 N ATOM 1075 CA TYR A 68 108.930 -3.014 -0.109 1.00 0.00 C ATOM 1076 C TYR A 68 107.875 -2.309 0.746 1.00 0.00 C ATOM 1077 O TYR A 68 107.739 -2.565 1.922 1.00 0.00 O ATOM 1078 CB TYR A 68 108.712 -4.531 -0.080 1.00 0.00 C ATOM 1079 CG TYR A 68 107.505 -4.905 -0.903 1.00 0.00 C ATOM 1080 CD1 TYR A 68 106.238 -4.943 -0.309 1.00 0.00 C ATOM 1081 CD2 TYR A 68 107.654 -5.226 -2.258 1.00 0.00 C ATOM 1082 CE1 TYR A 68 105.123 -5.297 -1.068 1.00 0.00 C ATOM 1083 CE2 TYR A 68 106.538 -5.579 -3.016 1.00 0.00 C ATOM 1084 CZ TYR A 68 105.274 -5.615 -2.422 1.00 0.00 C ATOM 1085 OH TYR A 68 104.167 -5.958 -3.166 1.00 0.00 O ATOM 0 H TYR A 68 110.536 -3.526 1.200 1.00 0.00 H new ATOM 0 HA TYR A 68 108.852 -2.594 -1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 68 109.595 -5.039 -0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 68 108.577 -4.866 0.948 1.00 0.00 H new ATOM 0 HD1 TYR A 68 106.124 -4.698 0.737 1.00 0.00 H new ATOM 0 HD2 TYR A 68 108.632 -5.200 -2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 68 104.145 -5.326 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 68 106.651 -5.824 -4.062 1.00 0.00 H new ATOM 0 HH TYR A 68 104.263 -5.607 -4.076 1.00 0.00 H new ATOM 1095 N VAL A 69 107.140 -1.404 0.162 1.00 0.00 N ATOM 1096 CA VAL A 69 106.112 -0.668 0.949 1.00 0.00 C ATOM 1097 C VAL A 69 104.716 -0.815 0.321 1.00 0.00 C ATOM 1098 O VAL A 69 104.513 -0.612 -0.860 1.00 0.00 O ATOM 1099 CB VAL A 69 106.581 0.800 0.941 1.00 0.00 C ATOM 1100 CG1 VAL A 69 105.476 1.717 1.487 1.00 0.00 C ATOM 1101 CG2 VAL A 69 107.821 0.939 1.828 1.00 0.00 C ATOM 0 H VAL A 69 107.206 -1.143 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 69 106.019 -1.058 1.962 1.00 0.00 H new ATOM 0 HB VAL A 69 106.814 1.089 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 69 105.822 2.751 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 69 104.586 1.625 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 69 105.235 1.427 2.510 1.00 0.00 H new ATOM 0 HG21 VAL A 69 108.156 1.976 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 69 107.575 0.640 2.847 1.00 0.00 H new ATOM 0 HG23 VAL A 69 108.616 0.300 1.444 1.00 0.00 H new ATOM 1111 N ALA A 70 103.756 -1.108 1.152 1.00 0.00 N ATOM 1112 CA ALA A 70 102.344 -1.228 0.703 1.00 0.00 C ATOM 1113 C ALA A 70 101.584 0.014 1.166 1.00 0.00 C ATOM 1114 O ALA A 70 101.168 0.099 2.305 1.00 0.00 O ATOM 1115 CB ALA A 70 101.809 -2.458 1.428 1.00 0.00 C ATOM 0 H ALA A 70 103.896 -1.273 2.149 1.00 0.00 H new ATOM 0 HA ALA A 70 102.242 -1.315 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 70 100.767 -2.619 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 70 102.398 -3.331 1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 70 101.879 -2.305 2.505 1.00 0.00 H new ATOM 1121 N VAL A 71 101.418 0.986 0.319 1.00 0.00 N ATOM 1122 CA VAL A 71 100.707 2.222 0.752 1.00 0.00 C ATOM 1123 C VAL A 71 99.226 1.941 1.035 1.00 0.00 C ATOM 1124 O VAL A 71 98.578 2.700 1.729 1.00 0.00 O ATOM 1125 CB VAL A 71 100.861 3.198 -0.410 1.00 0.00 C ATOM 1126 CG1 VAL A 71 102.344 3.508 -0.623 1.00 0.00 C ATOM 1127 CG2 VAL A 71 100.281 2.570 -1.676 1.00 0.00 C ATOM 0 H VAL A 71 101.740 0.982 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 71 101.121 2.620 1.679 1.00 0.00 H new ATOM 0 HB VAL A 71 100.329 4.122 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 71 102.454 4.205 -1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 71 102.756 3.954 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 71 102.879 2.586 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 71 100.389 3.265 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 71 100.815 1.647 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 71 99.225 2.350 -1.522 1.00 0.00 H new ATOM 1137 N GLU A 72 98.682 0.855 0.540 1.00 0.00 N ATOM 1138 CA GLU A 72 97.248 0.557 0.838 1.00 0.00 C ATOM 1139 C GLU A 72 97.100 0.193 2.317 1.00 0.00 C ATOM 1140 O GLU A 72 96.230 0.687 3.006 1.00 0.00 O ATOM 1141 CB GLU A 72 96.891 -0.635 -0.046 1.00 0.00 C ATOM 1142 CG GLU A 72 96.920 -0.203 -1.510 1.00 0.00 C ATOM 1143 CD GLU A 72 95.804 0.815 -1.759 1.00 0.00 C ATOM 1144 OE1 GLU A 72 94.860 0.833 -0.984 1.00 0.00 O ATOM 1145 OE2 GLU A 72 95.911 1.560 -2.718 1.00 0.00 O1- ATOM 0 H GLU A 72 99.161 0.173 -0.048 1.00 0.00 H new ATOM 0 HA GLU A 72 96.595 1.408 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 72 97.597 -1.449 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 72 95.902 -1.012 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.888 0.235 -1.753 1.00 0.00 H new ATOM 0 HG3 GLU A 72 96.790 -1.069 -2.159 1.00 0.00 H new ATOM 1152 N ASP A 73 97.955 -0.658 2.816 1.00 0.00 N ATOM 1153 CA ASP A 73 97.874 -1.036 4.257 1.00 0.00 C ATOM 1154 C ASP A 73 98.933 -0.280 5.081 1.00 0.00 C ATOM 1155 O ASP A 73 99.072 -0.500 6.269 1.00 0.00 O ATOM 1156 CB ASP A 73 98.141 -2.542 4.286 1.00 0.00 C ATOM 1157 CG ASP A 73 96.945 -3.286 3.688 1.00 0.00 C ATOM 1158 OD1 ASP A 73 95.875 -2.704 3.637 1.00 0.00 O ATOM 1159 OD2 ASP A 73 97.121 -4.425 3.286 1.00 0.00 O1- ATOM 0 H ASP A 73 98.705 -1.107 2.290 1.00 0.00 H new ATOM 0 HA ASP A 73 96.907 -0.783 4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 73 99.045 -2.772 3.722 1.00 0.00 H new ATOM 0 HB3 ASP A 73 98.312 -2.872 5.311 1.00 0.00 H new ATOM 1164 N LYS A 74 99.680 0.608 4.467 1.00 0.00 N ATOM 1165 CA LYS A 74 100.720 1.363 5.214 1.00 0.00 C ATOM 1166 C LYS A 74 101.693 0.397 5.898 1.00 0.00 C ATOM 1167 O LYS A 74 102.039 0.562 7.050 1.00 0.00 O ATOM 1168 CB LYS A 74 99.954 2.198 6.245 1.00 0.00 C ATOM 1169 CG LYS A 74 100.541 3.614 6.291 1.00 0.00 C ATOM 1170 CD LYS A 74 99.674 4.501 7.187 1.00 0.00 C ATOM 1171 CE LYS A 74 100.239 5.924 7.213 1.00 0.00 C ATOM 1172 NZ LYS A 74 99.310 6.688 8.093 1.00 0.00 N1+ ATOM 0 H LYS A 74 99.609 0.839 3.476 1.00 0.00 H new ATOM 0 HA LYS A 74 101.320 1.994 4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 74 98.897 2.239 5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.021 1.733 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 74 101.562 3.583 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.588 4.032 5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 74 98.648 4.514 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.644 4.094 8.198 1.00 0.00 H new ATOM 0 HE2 LYS A 74 101.256 5.938 7.605 1.00 0.00 H new ATOM 0 HE3 LYS A 74 100.277 6.353 6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.630 7.675 8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 98.351 6.662 7.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 99.300 6.261 9.041 1.00 0.00 H new ATOM 1186 N THR A 75 102.146 -0.607 5.190 1.00 0.00 N ATOM 1187 CA THR A 75 103.110 -1.576 5.797 1.00 0.00 C ATOM 1188 C THR A 75 104.419 -1.572 5.003 1.00 0.00 C ATOM 1189 O THR A 75 104.432 -1.639 3.793 1.00 0.00 O ATOM 1190 CB THR A 75 102.438 -2.947 5.716 1.00 0.00 C ATOM 1191 OG1 THR A 75 101.220 -2.924 6.445 1.00 0.00 O ATOM 1192 CG2 THR A 75 103.371 -4.006 6.308 1.00 0.00 C ATOM 0 H THR A 75 101.891 -0.798 4.221 1.00 0.00 H new ATOM 0 HA THR A 75 103.352 -1.316 6.828 1.00 0.00 H new ATOM 0 HB THR A 75 102.229 -3.189 4.674 1.00 0.00 H new ATOM 0 HG1 THR A 75 100.790 -3.803 6.391 1.00 0.00 H new ATOM 0 HG21 THR A 75 102.894 -4.984 6.251 1.00 0.00 H new ATOM 0 HG22 THR A 75 104.304 -4.024 5.745 1.00 0.00 H new ATOM 0 HG23 THR A 75 103.581 -3.765 7.350 1.00 0.00 H new ATOM 1200 N PHE A 76 105.518 -1.499 5.691 1.00 0.00 N ATOM 1201 CA PHE A 76 106.850 -1.488 5.016 1.00 0.00 C ATOM 1202 C PHE A 76 107.629 -2.754 5.379 1.00 0.00 C ATOM 1203 O PHE A 76 107.654 -3.173 6.519 1.00 0.00 O ATOM 1204 CB PHE A 76 107.564 -0.239 5.553 1.00 0.00 C ATOM 1205 CG PHE A 76 107.660 -0.306 7.059 1.00 0.00 C ATOM 1206 CD1 PHE A 76 108.745 -0.951 7.663 1.00 0.00 C ATOM 1207 CD2 PHE A 76 106.661 0.273 7.853 1.00 0.00 C ATOM 1208 CE1 PHE A 76 108.829 -1.019 9.058 1.00 0.00 C ATOM 1209 CE2 PHE A 76 106.743 0.202 9.246 1.00 0.00 C ATOM 1210 CZ PHE A 76 107.827 -0.442 9.848 1.00 0.00 C ATOM 0 H PHE A 76 105.556 -1.445 6.709 1.00 0.00 H new ATOM 0 HA PHE A 76 106.764 -1.466 3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 76 108.562 -0.166 5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 76 107.020 0.657 5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 76 109.517 -1.396 7.053 1.00 0.00 H new ATOM 0 HD2 PHE A 76 105.826 0.775 7.387 1.00 0.00 H new ATOM 0 HE1 PHE A 76 109.666 -1.516 9.525 1.00 0.00 H new ATOM 0 HE2 PHE A 76 105.970 0.644 9.857 1.00 0.00 H new ATOM 0 HZ PHE A 76 107.892 -0.495 10.925 1.00 0.00 H new ATOM 1220 N VAL A 77 108.266 -3.367 4.417 1.00 0.00 N ATOM 1221 CA VAL A 77 109.038 -4.609 4.694 1.00 0.00 C ATOM 1222 C VAL A 77 110.465 -4.423 4.169 1.00 0.00 C ATOM 1223 O VAL A 77 110.664 -3.899 3.089 1.00 0.00 O ATOM 1224 CB VAL A 77 108.304 -5.693 3.902 1.00 0.00 C ATOM 1225 CG1 VAL A 77 109.088 -7.005 3.957 1.00 0.00 C ATOM 1226 CG2 VAL A 77 106.909 -5.895 4.499 1.00 0.00 C ATOM 0 H VAL A 77 108.284 -3.057 3.445 1.00 0.00 H new ATOM 0 HA VAL A 77 109.106 -4.859 5.753 1.00 0.00 H new ATOM 0 HB VAL A 77 108.215 -5.383 2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 77 108.557 -7.770 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 77 110.078 -6.856 3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 77 109.188 -7.326 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 77 106.381 -6.667 3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 77 107.000 -6.202 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 77 106.351 -4.960 4.444 1.00 0.00 H new ATOM 1236 N ILE A 78 111.462 -4.828 4.909 1.00 0.00 N ATOM 1237 CA ILE A 78 112.859 -4.647 4.420 1.00 0.00 C ATOM 1238 C ILE A 78 113.523 -6.010 4.188 1.00 0.00 C ATOM 1239 O ILE A 78 113.562 -6.854 5.060 1.00 0.00 O ATOM 1240 CB ILE A 78 113.552 -3.864 5.534 1.00 0.00 C ATOM 1241 CG1 ILE A 78 112.806 -2.542 5.744 1.00 0.00 C ATOM 1242 CG2 ILE A 78 115.002 -3.571 5.138 1.00 0.00 C ATOM 1243 CD1 ILE A 78 113.355 -1.828 6.976 1.00 0.00 C ATOM 0 H ILE A 78 111.371 -5.272 5.823 1.00 0.00 H new ATOM 0 HA ILE A 78 112.912 -4.123 3.466 1.00 0.00 H new ATOM 0 HB ILE A 78 113.545 -4.449 6.453 1.00 0.00 H new ATOM 0 HG12 ILE A 78 112.918 -1.907 4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 78 111.740 -2.731 5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 78 115.491 -3.012 5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 78 115.531 -4.510 4.975 1.00 0.00 H new ATOM 0 HG23 ILE A 78 115.017 -2.982 4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 78 112.821 -0.889 7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 78 113.220 -2.461 7.853 1.00 0.00 H new ATOM 0 HD13 ILE A 78 114.416 -1.624 6.835 1.00 0.00 H new ATOM 1255 N TYR A 79 114.030 -6.227 3.006 1.00 0.00 N ATOM 1256 CA TYR A 79 114.681 -7.533 2.681 1.00 0.00 C ATOM 1257 C TYR A 79 116.070 -7.304 2.076 1.00 0.00 C ATOM 1258 O TYR A 79 116.208 -6.759 1.000 1.00 0.00 O ATOM 1259 CB TYR A 79 113.741 -8.176 1.657 1.00 0.00 C ATOM 1260 CG TYR A 79 114.203 -9.577 1.325 1.00 0.00 C ATOM 1261 CD1 TYR A 79 114.357 -10.528 2.341 1.00 0.00 C ATOM 1262 CD2 TYR A 79 114.469 -9.925 -0.005 1.00 0.00 C ATOM 1263 CE1 TYR A 79 114.775 -11.827 2.026 1.00 0.00 C ATOM 1264 CE2 TYR A 79 114.883 -11.223 -0.320 1.00 0.00 C ATOM 1265 CZ TYR A 79 115.039 -12.175 0.695 1.00 0.00 C ATOM 1266 OH TYR A 79 115.445 -13.457 0.383 1.00 0.00 O ATOM 0 H TYR A 79 114.022 -5.551 2.243 1.00 0.00 H new ATOM 0 HA TYR A 79 114.829 -8.160 3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 79 112.726 -8.205 2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 79 113.712 -7.571 0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 79 114.154 -10.260 3.367 1.00 0.00 H new ATOM 0 HD2 TYR A 79 114.354 -9.190 -0.788 1.00 0.00 H new ATOM 0 HE1 TYR A 79 114.894 -12.561 2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 79 115.083 -11.491 -1.347 1.00 0.00 H new ATOM 0 HH TYR A 79 115.137 -13.687 -0.518 1.00 0.00 H new ATOM 1276 N GLY A 80 117.101 -7.727 2.764 1.00 0.00 N ATOM 1277 CA GLY A 80 118.479 -7.542 2.236 1.00 0.00 C ATOM 1278 C GLY A 80 118.981 -8.866 1.669 1.00 0.00 C ATOM 1279 O GLY A 80 118.660 -9.931 2.159 1.00 0.00 O ATOM 0 H GLY A 80 117.043 -8.193 3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 80 118.484 -6.775 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 80 119.142 -7.198 3.030 1.00 0.00 H new ATOM 1283 N ASP A 81 119.763 -8.803 0.629 1.00 0.00 N ATOM 1284 CA ASP A 81 120.285 -10.051 0.009 1.00 0.00 C ATOM 1285 C ASP A 81 121.046 -10.873 1.057 1.00 0.00 C ATOM 1286 O ASP A 81 121.210 -10.453 2.186 1.00 0.00 O ATOM 1287 CB ASP A 81 121.221 -9.560 -1.098 1.00 0.00 C ATOM 1288 CG ASP A 81 121.705 -10.740 -1.946 1.00 0.00 C ATOM 1289 OD1 ASP A 81 121.144 -11.814 -1.810 1.00 0.00 O ATOM 1290 OD2 ASP A 81 122.635 -10.550 -2.715 1.00 0.00 O1- ATOM 0 H ASP A 81 120.064 -7.938 0.180 1.00 0.00 H new ATOM 0 HA ASP A 81 119.500 -10.698 -0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 81 120.702 -8.838 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 81 122.075 -9.044 -0.659 1.00 0.00 H new ATOM 1295 N LYS A 82 121.494 -12.045 0.703 1.00 0.00 N ATOM 1296 CA LYS A 82 122.225 -12.895 1.681 1.00 0.00 C ATOM 1297 C LYS A 82 123.468 -12.172 2.200 1.00 0.00 C ATOM 1298 O LYS A 82 123.967 -12.468 3.267 1.00 0.00 O ATOM 1299 CB LYS A 82 122.638 -14.135 0.895 1.00 0.00 C ATOM 1300 CG LYS A 82 121.405 -14.948 0.507 1.00 0.00 C ATOM 1301 CD LYS A 82 121.861 -16.175 -0.283 1.00 0.00 C ATOM 1302 CE LYS A 82 120.656 -17.023 -0.684 1.00 0.00 C ATOM 1303 NZ LYS A 82 121.249 -18.203 -1.373 1.00 0.00 N1+ ATOM 0 H LYS A 82 121.384 -12.452 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 82 121.609 -13.135 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 82 123.186 -13.841 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 82 123.312 -14.747 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 82 120.857 -15.254 1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 82 120.726 -14.342 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 82 122.406 -15.861 -1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 82 122.549 -16.769 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 82 120.073 -17.322 0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 82 119.985 -16.473 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 120.489 -18.842 -1.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 121.793 -17.885 -2.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 121.879 -18.708 -0.717 1.00 0.00 H new ATOM 1317 N GLY A 83 123.988 -11.249 1.446 1.00 0.00 N ATOM 1318 CA GLY A 83 125.217 -10.539 1.893 1.00 0.00 C ATOM 1319 C GLY A 83 124.927 -9.685 3.123 1.00 0.00 C ATOM 1320 O GLY A 83 125.611 -9.796 4.120 1.00 0.00 O ATOM 0 H GLY A 83 123.618 -10.955 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 83 125.999 -11.263 2.123 1.00 0.00 H new ATOM 0 HA3 GLY A 83 125.593 -9.909 1.087 1.00 0.00 H new ATOM 1324 N ILE A 84 123.921 -8.847 3.087 1.00 0.00 N ATOM 1325 CA ILE A 84 123.624 -8.012 4.287 1.00 0.00 C ATOM 1326 C ILE A 84 123.220 -8.941 5.436 1.00 0.00 C ATOM 1327 O ILE A 84 123.625 -8.769 6.566 1.00 0.00 O ATOM 1328 CB ILE A 84 122.449 -7.129 3.869 1.00 0.00 C ATOM 1329 CG1 ILE A 84 122.891 -6.165 2.764 1.00 0.00 C ATOM 1330 CG2 ILE A 84 121.966 -6.321 5.072 1.00 0.00 C ATOM 1331 CD1 ILE A 84 121.904 -6.266 1.599 1.00 0.00 C ATOM 0 H ILE A 84 123.301 -8.707 2.289 1.00 0.00 H new ATOM 0 HA ILE A 84 124.472 -7.414 4.620 1.00 0.00 H new ATOM 0 HB ILE A 84 121.642 -7.761 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 84 122.923 -5.144 3.144 1.00 0.00 H new ATOM 0 HG13 ILE A 84 123.898 -6.412 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 84 121.128 -5.691 4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 84 121.646 -7.001 5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 84 122.779 -5.694 5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 84 122.208 -5.584 0.805 1.00 0.00 H new ATOM 0 HD12 ILE A 84 121.895 -7.287 1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 84 120.905 -5.999 1.944 1.00 0.00 H new ATOM 1343 N ASN A 85 122.383 -9.899 5.154 1.00 0.00 N ATOM 1344 CA ASN A 85 121.901 -10.820 6.224 1.00 0.00 C ATOM 1345 C ASN A 85 123.042 -11.655 6.809 1.00 0.00 C ATOM 1346 O ASN A 85 123.065 -11.938 7.990 1.00 0.00 O ATOM 1347 CB ASN A 85 120.870 -11.720 5.542 1.00 0.00 C ATOM 1348 CG ASN A 85 119.562 -10.949 5.359 1.00 0.00 C ATOM 1349 OD1 ASN A 85 119.330 -9.958 6.023 1.00 0.00 O ATOM 1350 ND2 ASN A 85 118.694 -11.364 4.478 1.00 0.00 N ATOM 0 H ASN A 85 122.009 -10.086 4.224 1.00 0.00 H new ATOM 0 HA ASN A 85 121.478 -10.266 7.062 1.00 0.00 H new ATOM 0 HB2 ASN A 85 121.246 -12.054 4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 85 120.697 -12.613 6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 85 117.819 -10.857 4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 85 118.890 -12.196 3.921 1.00 0.00 H new ATOM 1357 N ASP A 86 123.982 -12.067 6.006 1.00 0.00 N ATOM 1358 CA ASP A 86 125.104 -12.890 6.536 1.00 0.00 C ATOM 1359 C ASP A 86 126.114 -12.045 7.317 1.00 0.00 C ATOM 1360 O ASP A 86 126.885 -12.563 8.100 1.00 0.00 O ATOM 1361 CB ASP A 86 125.774 -13.470 5.288 1.00 0.00 C ATOM 1362 CG ASP A 86 124.879 -14.549 4.674 1.00 0.00 C ATOM 1363 OD1 ASP A 86 123.987 -15.020 5.364 1.00 0.00 O1- ATOM 1364 OD2 ASP A 86 125.101 -14.889 3.524 1.00 0.00 O ATOM 0 H ASP A 86 124.022 -11.870 5.006 1.00 0.00 H new ATOM 0 HA ASP A 86 124.744 -13.650 7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 86 125.957 -12.679 4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 86 126.744 -13.894 5.548 1.00 0.00 H new ATOM 1369 N VAL A 87 126.148 -10.754 7.095 1.00 0.00 N ATOM 1370 CA VAL A 87 127.156 -9.917 7.818 1.00 0.00 C ATOM 1371 C VAL A 87 126.553 -9.119 8.984 1.00 0.00 C ATOM 1372 O VAL A 87 127.271 -8.709 9.879 1.00 0.00 O ATOM 1373 CB VAL A 87 127.719 -8.969 6.754 1.00 0.00 C ATOM 1374 CG1 VAL A 87 126.631 -8.001 6.282 1.00 0.00 C ATOM 1375 CG2 VAL A 87 128.876 -8.164 7.347 1.00 0.00 C ATOM 0 H VAL A 87 125.533 -10.250 6.456 1.00 0.00 H new ATOM 0 HA VAL A 87 127.918 -10.548 8.275 1.00 0.00 H new ATOM 0 HB VAL A 87 128.071 -9.559 5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 87 127.042 -7.332 5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 87 125.802 -8.565 5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 87 126.273 -7.415 7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 87 129.276 -7.490 6.590 1.00 0.00 H new ATOM 0 HG22 VAL A 87 128.517 -7.583 8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 87 129.661 -8.844 7.678 1.00 0.00 H new ATOM 1385 N VAL A 88 125.268 -8.870 8.993 1.00 0.00 N ATOM 1386 CA VAL A 88 124.698 -8.066 10.119 1.00 0.00 C ATOM 1387 C VAL A 88 123.664 -8.868 10.911 1.00 0.00 C ATOM 1388 O VAL A 88 123.200 -9.904 10.480 1.00 0.00 O ATOM 1389 CB VAL A 88 124.072 -6.832 9.472 1.00 0.00 C ATOM 1390 CG1 VAL A 88 125.112 -6.136 8.592 1.00 0.00 C ATOM 1391 CG2 VAL A 88 122.870 -7.238 8.628 1.00 0.00 C ATOM 0 H VAL A 88 124.601 -9.180 8.287 1.00 0.00 H new ATOM 0 HA VAL A 88 125.468 -7.789 10.838 1.00 0.00 H new ATOM 0 HB VAL A 88 123.739 -6.147 10.252 1.00 0.00 H new ATOM 0 HG11 VAL A 88 124.667 -5.255 8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 88 125.962 -5.834 9.203 1.00 0.00 H new ATOM 0 HG13 VAL A 88 125.449 -6.822 7.815 1.00 0.00 H new ATOM 0 HG21 VAL A 88 122.430 -6.352 8.171 1.00 0.00 H new ATOM 0 HG22 VAL A 88 123.190 -7.928 7.847 1.00 0.00 H new ATOM 0 HG23 VAL A 88 122.129 -7.725 9.261 1.00 0.00 H new ATOM 1401 N SER A 89 123.337 -8.408 12.083 1.00 0.00 N ATOM 1402 CA SER A 89 122.369 -9.149 12.941 1.00 0.00 C ATOM 1403 C SER A 89 120.998 -8.462 12.970 1.00 0.00 C ATOM 1404 O SER A 89 120.803 -7.391 12.425 1.00 0.00 O ATOM 1405 CB SER A 89 123.006 -9.141 14.330 1.00 0.00 C ATOM 1406 OG SER A 89 122.998 -7.815 14.844 1.00 0.00 O ATOM 0 H SER A 89 123.700 -7.545 12.488 1.00 0.00 H new ATOM 0 HA SER A 89 122.186 -10.157 12.567 1.00 0.00 H new ATOM 0 HB2 SER A 89 122.458 -9.805 14.998 1.00 0.00 H new ATOM 0 HB3 SER A 89 124.028 -9.516 14.276 1.00 0.00 H new ATOM 0 HG SER A 89 123.405 -7.807 15.736 1.00 0.00 H new ATOM 1412 N ASP A 90 120.044 -9.086 13.608 1.00 0.00 N ATOM 1413 CA ASP A 90 118.680 -8.495 13.684 1.00 0.00 C ATOM 1414 C ASP A 90 118.729 -7.154 14.419 1.00 0.00 C ATOM 1415 O ASP A 90 118.057 -6.211 14.054 1.00 0.00 O ATOM 1416 CB ASP A 90 117.857 -9.519 14.467 1.00 0.00 C ATOM 1417 CG ASP A 90 117.331 -10.602 13.513 1.00 0.00 C ATOM 1418 OD1 ASP A 90 117.517 -10.465 12.312 1.00 0.00 O ATOM 1419 OD2 ASP A 90 116.750 -11.554 14.003 1.00 0.00 O1- ATOM 0 H ASP A 90 120.153 -9.983 14.081 1.00 0.00 H new ATOM 0 HA ASP A 90 118.252 -8.297 12.701 1.00 0.00 H new ATOM 0 HB2 ASP A 90 118.470 -9.973 15.245 1.00 0.00 H new ATOM 0 HB3 ASP A 90 117.023 -9.025 14.966 1.00 0.00 H new ATOM 1424 N ASP A 91 119.538 -7.053 15.437 1.00 0.00 N ATOM 1425 CA ASP A 91 119.646 -5.762 16.175 1.00 0.00 C ATOM 1426 C ASP A 91 120.149 -4.689 15.217 1.00 0.00 C ATOM 1427 O ASP A 91 119.704 -3.558 15.244 1.00 0.00 O ATOM 1428 CB ASP A 91 120.664 -6.021 17.284 1.00 0.00 C ATOM 1429 CG ASP A 91 119.967 -6.647 18.500 1.00 0.00 C ATOM 1430 OD1 ASP A 91 118.750 -6.750 18.486 1.00 0.00 O1- ATOM 1431 OD2 ASP A 91 120.668 -7.012 19.428 1.00 0.00 O ATOM 0 H ASP A 91 120.128 -7.807 15.790 1.00 0.00 H new ATOM 0 HA ASP A 91 118.695 -5.421 16.584 1.00 0.00 H new ATOM 0 HB2 ASP A 91 121.448 -6.686 16.921 1.00 0.00 H new ATOM 0 HB3 ASP A 91 121.146 -5.087 17.572 1.00 0.00 H new ATOM 1436 N PHE A 92 121.042 -5.045 14.344 1.00 0.00 N ATOM 1437 CA PHE A 92 121.538 -4.060 13.353 1.00 0.00 C ATOM 1438 C PHE A 92 120.385 -3.656 12.434 1.00 0.00 C ATOM 1439 O PHE A 92 120.352 -2.568 11.891 1.00 0.00 O ATOM 1440 CB PHE A 92 122.635 -4.778 12.577 1.00 0.00 C ATOM 1441 CG PHE A 92 123.203 -3.849 11.540 1.00 0.00 C ATOM 1442 CD1 PHE A 92 124.171 -2.915 11.908 1.00 0.00 C ATOM 1443 CD2 PHE A 92 122.766 -3.922 10.212 1.00 0.00 C ATOM 1444 CE1 PHE A 92 124.707 -2.049 10.951 1.00 0.00 C ATOM 1445 CE2 PHE A 92 123.303 -3.056 9.252 1.00 0.00 C ATOM 1446 CZ PHE A 92 124.275 -2.118 9.622 1.00 0.00 C ATOM 0 H PHE A 92 121.450 -5.977 14.274 1.00 0.00 H new ATOM 0 HA PHE A 92 121.923 -3.151 13.814 1.00 0.00 H new ATOM 0 HB2 PHE A 92 123.421 -5.106 13.257 1.00 0.00 H new ATOM 0 HB3 PHE A 92 122.233 -5.672 12.100 1.00 0.00 H new ATOM 0 HD1 PHE A 92 124.507 -2.861 12.933 1.00 0.00 H new ATOM 0 HD2 PHE A 92 122.016 -4.645 9.929 1.00 0.00 H new ATOM 0 HE1 PHE A 92 125.456 -1.325 11.238 1.00 0.00 H new ATOM 0 HE2 PHE A 92 122.968 -3.111 8.227 1.00 0.00 H new ATOM 0 HZ PHE A 92 124.690 -1.449 8.883 1.00 0.00 H new ATOM 1456 N TRP A 93 119.431 -4.535 12.268 1.00 0.00 N ATOM 1457 CA TRP A 93 118.264 -4.228 11.402 1.00 0.00 C ATOM 1458 C TRP A 93 117.194 -3.489 12.212 1.00 0.00 C ATOM 1459 O TRP A 93 116.358 -2.798 11.685 1.00 0.00 O ATOM 1460 CB TRP A 93 117.742 -5.596 10.963 1.00 0.00 C ATOM 1461 CG TRP A 93 118.341 -5.969 9.646 1.00 0.00 C ATOM 1462 CD1 TRP A 93 119.630 -6.322 9.442 1.00 0.00 C ATOM 1463 CD2 TRP A 93 117.689 -6.038 8.350 1.00 0.00 C ATOM 1464 NE1 TRP A 93 119.807 -6.597 8.094 1.00 0.00 N ATOM 1465 CE2 TRP A 93 118.641 -6.434 7.381 1.00 0.00 C ATOM 1466 CE3 TRP A 93 116.375 -5.792 7.925 1.00 0.00 C ATOM 1467 CZ2 TRP A 93 118.301 -6.580 6.035 1.00 0.00 C ATOM 1468 CZ3 TRP A 93 116.027 -5.939 6.576 1.00 0.00 C ATOM 1469 CH2 TRP A 93 116.986 -6.329 5.634 1.00 0.00 C ATOM 0 H TRP A 93 119.414 -5.459 12.701 1.00 0.00 H new ATOM 0 HA TRP A 93 118.525 -3.592 10.556 1.00 0.00 H new ATOM 0 HB2 TRP A 93 117.991 -6.348 11.712 1.00 0.00 H new ATOM 0 HB3 TRP A 93 116.655 -5.572 10.885 1.00 0.00 H new ATOM 0 HD1 TRP A 93 120.395 -6.380 10.202 1.00 0.00 H new ATOM 0 HE1 TRP A 93 120.694 -6.885 7.681 1.00 0.00 H new ATOM 0 HE3 TRP A 93 115.627 -5.487 8.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 119.045 -6.883 5.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 115.012 -5.750 6.261 1.00 0.00 H new ATOM 0 HH2 TRP A 93 116.709 -6.436 4.596 1.00 0.00 H new ATOM 1480 N ASP A 94 117.177 -3.700 13.490 1.00 0.00 N ATOM 1481 CA ASP A 94 116.124 -3.081 14.340 1.00 0.00 C ATOM 1482 C ASP A 94 116.129 -1.558 14.252 1.00 0.00 C ATOM 1483 O ASP A 94 115.079 -0.940 14.281 1.00 0.00 O ATOM 1484 CB ASP A 94 116.437 -3.548 15.759 1.00 0.00 C ATOM 1485 CG ASP A 94 115.823 -4.933 15.991 1.00 0.00 C ATOM 1486 OD1 ASP A 94 114.939 -5.306 15.232 1.00 0.00 O1- ATOM 1487 OD2 ASP A 94 116.247 -5.599 16.917 1.00 0.00 O ATOM 0 H ASP A 94 117.851 -4.279 13.991 1.00 0.00 H new ATOM 0 HA ASP A 94 115.129 -3.381 14.013 1.00 0.00 H new ATOM 0 HB2 ASP A 94 117.516 -3.587 15.910 1.00 0.00 H new ATOM 0 HB3 ASP A 94 116.039 -2.837 16.483 1.00 0.00 H new ATOM 1492 N THR A 95 117.277 -0.935 14.144 1.00 0.00 N ATOM 1493 CA THR A 95 117.274 0.554 14.054 1.00 0.00 C ATOM 1494 C THR A 95 116.614 0.963 12.730 1.00 0.00 C ATOM 1495 O THR A 95 115.968 1.986 12.618 1.00 0.00 O ATOM 1496 CB THR A 95 118.742 0.973 14.113 1.00 0.00 C ATOM 1497 OG1 THR A 95 119.476 0.246 13.137 1.00 0.00 O ATOM 1498 CG2 THR A 95 119.302 0.676 15.504 1.00 0.00 C ATOM 0 H THR A 95 118.194 -1.381 14.115 1.00 0.00 H new ATOM 0 HA THR A 95 116.714 1.035 14.856 1.00 0.00 H new ATOM 0 HB THR A 95 118.827 2.041 13.912 1.00 0.00 H new ATOM 0 HG1 THR A 95 120.418 0.513 13.170 1.00 0.00 H new ATOM 0 HG21 THR A 95 120.349 0.975 15.546 1.00 0.00 H new ATOM 0 HG22 THR A 95 118.736 1.232 16.251 1.00 0.00 H new ATOM 0 HG23 THR A 95 119.221 -0.392 15.709 1.00 0.00 H new ATOM 1506 N THR A 96 116.787 0.132 11.732 1.00 0.00 N ATOM 1507 CA THR A 96 116.201 0.393 10.376 1.00 0.00 C ATOM 1508 C THR A 96 114.674 0.487 10.443 1.00 0.00 C ATOM 1509 O THR A 96 114.055 1.405 9.931 1.00 0.00 O ATOM 1510 CB THR A 96 116.558 -0.871 9.586 1.00 0.00 C ATOM 1511 OG1 THR A 96 117.919 -1.211 9.822 1.00 0.00 O ATOM 1512 CG2 THR A 96 116.349 -0.628 8.100 1.00 0.00 C ATOM 0 H THR A 96 117.321 -0.735 11.800 1.00 0.00 H new ATOM 0 HA THR A 96 116.572 1.324 9.947 1.00 0.00 H new ATOM 0 HB THR A 96 115.915 -1.689 9.911 1.00 0.00 H new ATOM 0 HG1 THR A 96 118.192 -1.919 9.201 1.00 0.00 H new ATOM 0 HG21 THR A 96 116.605 -1.530 7.544 1.00 0.00 H new ATOM 0 HG22 THR A 96 115.305 -0.372 7.916 1.00 0.00 H new ATOM 0 HG23 THR A 96 116.987 0.193 7.772 1.00 0.00 H new ATOM 1520 N ARG A 97 114.077 -0.486 11.080 1.00 0.00 N ATOM 1521 CA ARG A 97 112.592 -0.536 11.213 1.00 0.00 C ATOM 1522 C ARG A 97 112.067 0.582 12.116 1.00 0.00 C ATOM 1523 O ARG A 97 111.012 1.135 11.868 1.00 0.00 O ATOM 1524 CB ARG A 97 112.312 -1.903 11.846 1.00 0.00 C ATOM 1525 CG ARG A 97 112.586 -3.008 10.822 1.00 0.00 C ATOM 1526 CD ARG A 97 112.421 -4.380 11.485 1.00 0.00 C ATOM 1527 NE ARG A 97 112.639 -5.359 10.380 1.00 0.00 N ATOM 1528 CZ ARG A 97 111.633 -5.769 9.641 1.00 0.00 C ATOM 1529 NH1 ARG A 97 110.473 -5.155 9.672 1.00 0.00 N1+ ATOM 1530 NH2 ARG A 97 111.790 -6.799 8.851 1.00 0.00 N ATOM 0 H ARG A 97 114.567 -1.264 11.522 1.00 0.00 H new ATOM 0 HA ARG A 97 112.098 -0.401 10.251 1.00 0.00 H new ATOM 0 HB2 ARG A 97 112.941 -2.044 12.725 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.277 -1.954 12.183 1.00 0.00 H new ATOM 0 HG2 ARG A 97 111.900 -2.915 9.980 1.00 0.00 H new ATOM 0 HG3 ARG A 97 113.595 -2.905 10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.144 -4.522 12.289 1.00 0.00 H new ATOM 0 HD3 ARG A 97 111.430 -4.492 11.924 1.00 0.00 H new ATOM 0 HE ARG A 97 113.578 -5.713 10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 97 110.341 -4.345 10.277 1.00 0.00 H new ATOM 0 HH12 ARG A 97 109.704 -5.488 9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 97 112.689 -7.279 8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 97 111.013 -7.123 8.275 1.00 0.00 H new ATOM 1544 N ASN A 98 112.766 0.907 13.172 1.00 0.00 N ATOM 1545 CA ASN A 98 112.256 1.975 14.080 1.00 0.00 C ATOM 1546 C ASN A 98 112.198 3.322 13.350 1.00 0.00 C ATOM 1547 O ASN A 98 111.250 4.067 13.502 1.00 0.00 O ATOM 1548 CB ASN A 98 113.231 2.023 15.258 1.00 0.00 C ATOM 1549 CG ASN A 98 113.087 0.754 16.098 1.00 0.00 C ATOM 1550 OD1 ASN A 98 112.076 0.083 16.040 1.00 0.00 O ATOM 1551 ND2 ASN A 98 114.067 0.391 16.881 1.00 0.00 N ATOM 0 H ASN A 98 113.655 0.486 13.442 1.00 0.00 H new ATOM 0 HA ASN A 98 111.241 1.766 14.419 1.00 0.00 H new ATOM 0 HB2 ASN A 98 114.254 2.115 14.892 1.00 0.00 H new ATOM 0 HB3 ASN A 98 113.032 2.902 15.872 1.00 0.00 H new ATOM 0 HD21 ASN A 98 113.983 -0.456 17.444 1.00 0.00 H new ATOM 0 HD22 ASN A 98 114.916 0.954 16.930 1.00 0.00 H new ATOM 1558 N ALA A 99 113.184 3.652 12.559 1.00 0.00 N ATOM 1559 CA ALA A 99 113.144 4.956 11.832 1.00 0.00 C ATOM 1560 C ALA A 99 111.976 4.992 10.841 1.00 0.00 C ATOM 1561 O ALA A 99 111.205 5.935 10.810 1.00 0.00 O ATOM 1562 CB ALA A 99 114.472 5.022 11.076 1.00 0.00 C ATOM 0 H ALA A 99 114.010 3.080 12.385 1.00 0.00 H new ATOM 0 HA ALA A 99 113.006 5.796 12.513 1.00 0.00 H new ATOM 0 HB1 ALA A 99 114.524 5.954 10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 99 115.298 4.981 11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 99 114.542 4.179 10.389 1.00 0.00 H new ATOM 1568 N ILE A 100 111.831 3.974 10.037 1.00 0.00 N ATOM 1569 CA ILE A 100 110.708 3.956 9.056 1.00 0.00 C ATOM 1570 C ILE A 100 109.361 3.853 9.786 1.00 0.00 C ATOM 1571 O ILE A 100 108.413 4.512 9.436 1.00 0.00 O ATOM 1572 CB ILE A 100 110.956 2.720 8.181 1.00 0.00 C ATOM 1573 CG1 ILE A 100 112.221 2.930 7.343 1.00 0.00 C ATOM 1574 CG2 ILE A 100 109.767 2.504 7.240 1.00 0.00 C ATOM 1575 CD1 ILE A 100 112.660 1.593 6.740 1.00 0.00 C ATOM 0 H ILE A 100 112.440 3.156 10.017 1.00 0.00 H new ATOM 0 HA ILE A 100 110.668 4.867 8.460 1.00 0.00 H new ATOM 0 HB ILE A 100 111.078 1.848 8.824 1.00 0.00 H new ATOM 0 HG12 ILE A 100 112.029 3.653 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 100 113.018 3.341 7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 100 109.948 1.625 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 100 108.861 2.354 7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 100 109.645 3.379 6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 100 113.560 1.741 6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 100 112.868 0.883 7.541 1.00 0.00 H new ATOM 0 HD13 ILE A 100 111.865 1.201 6.106 1.00 0.00 H new ATOM 1587 N GLN A 101 109.275 3.021 10.784 1.00 0.00 N ATOM 1588 CA GLN A 101 107.983 2.859 11.524 1.00 0.00 C ATOM 1589 C GLN A 101 107.591 4.160 12.233 1.00 0.00 C ATOM 1590 O GLN A 101 106.438 4.544 12.258 1.00 0.00 O ATOM 1591 CB GLN A 101 108.271 1.760 12.549 1.00 0.00 C ATOM 1592 CG GLN A 101 106.997 1.416 13.324 1.00 0.00 C ATOM 1593 CD GLN A 101 107.321 0.354 14.377 1.00 0.00 C ATOM 1594 OE1 GLN A 101 108.174 0.556 15.217 1.00 0.00 O ATOM 1595 NE2 GLN A 101 106.664 -0.775 14.376 1.00 0.00 N ATOM 0 H GLN A 101 110.043 2.442 11.124 1.00 0.00 H new ATOM 0 HA GLN A 101 107.155 2.610 10.860 1.00 0.00 H new ATOM 0 HB2 GLN A 101 108.650 0.871 12.044 1.00 0.00 H new ATOM 0 HB3 GLN A 101 109.048 2.090 13.239 1.00 0.00 H new ATOM 0 HG2 GLN A 101 106.596 2.309 13.802 1.00 0.00 H new ATOM 0 HG3 GLN A 101 106.230 1.048 12.642 1.00 0.00 H new ATOM 0 HE21 GLN A 101 105.947 -0.947 13.671 1.00 0.00 H new ATOM 0 HE22 GLN A 101 106.868 -1.484 15.080 1.00 0.00 H new ATOM 1604 N LEU A 102 108.539 4.826 12.827 1.00 0.00 N ATOM 1605 CA LEU A 102 108.229 6.088 13.560 1.00 0.00 C ATOM 1606 C LEU A 102 107.679 7.171 12.621 1.00 0.00 C ATOM 1607 O LEU A 102 106.725 7.861 12.949 1.00 0.00 O ATOM 1608 CB LEU A 102 109.572 6.527 14.146 1.00 0.00 C ATOM 1609 CG LEU A 102 109.420 7.880 14.846 1.00 0.00 C ATOM 1610 CD1 LEU A 102 108.579 7.715 16.112 1.00 0.00 C ATOM 1611 CD2 LEU A 102 110.803 8.419 15.210 1.00 0.00 C ATOM 0 H LEU A 102 109.521 4.551 12.838 1.00 0.00 H new ATOM 0 HA LEU A 102 107.462 5.933 14.319 1.00 0.00 H new ATOM 0 HB2 LEU A 102 109.931 5.780 14.854 1.00 0.00 H new ATOM 0 HB3 LEU A 102 110.317 6.600 13.354 1.00 0.00 H new ATOM 0 HG LEU A 102 108.921 8.582 14.177 1.00 0.00 H new ATOM 0 HD11 LEU A 102 108.473 8.680 16.607 1.00 0.00 H new ATOM 0 HD12 LEU A 102 107.593 7.333 15.847 1.00 0.00 H new ATOM 0 HD13 LEU A 102 109.070 7.013 16.786 1.00 0.00 H new ATOM 0 HD21 LEU A 102 110.698 9.383 15.709 1.00 0.00 H new ATOM 0 HD22 LEU A 102 111.303 7.717 15.878 1.00 0.00 H new ATOM 0 HD23 LEU A 102 111.396 8.542 14.304 1.00 0.00 H new ATOM 1623 N GLN A 103 108.263 7.326 11.462 1.00 0.00 N ATOM 1624 CA GLN A 103 107.746 8.374 10.538 1.00 0.00 C ATOM 1625 C GLN A 103 106.463 7.866 9.888 1.00 0.00 C ATOM 1626 O GLN A 103 105.496 8.588 9.748 1.00 0.00 O ATOM 1627 CB GLN A 103 108.843 8.631 9.519 1.00 0.00 C ATOM 1628 CG GLN A 103 109.069 10.140 9.391 1.00 0.00 C ATOM 1629 CD GLN A 103 109.654 10.674 10.695 1.00 0.00 C ATOM 1630 OE1 GLN A 103 110.544 10.075 11.266 1.00 0.00 O ATOM 1631 NE2 GLN A 103 109.190 11.784 11.195 1.00 0.00 N ATOM 0 H GLN A 103 109.058 6.785 11.122 1.00 0.00 H new ATOM 0 HA GLN A 103 107.501 9.305 11.050 1.00 0.00 H new ATOM 0 HB2 GLN A 103 109.765 8.138 9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 103 108.564 8.210 8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 103 109.746 10.349 8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 103 108.128 10.643 9.168 1.00 0.00 H new ATOM 0 HE21 GLN A 103 108.443 12.286 10.715 1.00 0.00 H new ATOM 0 HE22 GLN A 103 109.574 12.151 12.066 1.00 0.00 H new ATOM 1640 N PHE A 104 106.431 6.608 9.527 1.00 0.00 N ATOM 1641 CA PHE A 104 105.187 6.047 8.931 1.00 0.00 C ATOM 1642 C PHE A 104 104.057 6.215 9.931 1.00 0.00 C ATOM 1643 O PHE A 104 102.944 6.570 9.596 1.00 0.00 O ATOM 1644 CB PHE A 104 105.459 4.558 8.723 1.00 0.00 C ATOM 1645 CG PHE A 104 105.848 4.314 7.288 1.00 0.00 C ATOM 1646 CD1 PHE A 104 107.092 4.734 6.815 1.00 0.00 C ATOM 1647 CD2 PHE A 104 104.956 3.660 6.428 1.00 0.00 C ATOM 1648 CE1 PHE A 104 107.444 4.504 5.487 1.00 0.00 C ATOM 1649 CE2 PHE A 104 105.310 3.432 5.094 1.00 0.00 C ATOM 1650 CZ PHE A 104 106.556 3.854 4.622 1.00 0.00 C ATOM 0 H PHE A 104 107.207 5.952 9.619 1.00 0.00 H new ATOM 0 HA PHE A 104 104.915 6.540 7.998 1.00 0.00 H new ATOM 0 HB2 PHE A 104 106.256 4.227 9.388 1.00 0.00 H new ATOM 0 HB3 PHE A 104 104.572 3.977 8.974 1.00 0.00 H new ATOM 0 HD1 PHE A 104 107.781 5.237 7.478 1.00 0.00 H new ATOM 0 HD2 PHE A 104 103.995 3.332 6.795 1.00 0.00 H new ATOM 0 HE1 PHE A 104 108.407 4.829 5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 104 104.622 2.931 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 104 106.833 3.679 3.593 1.00 0.00 H new ATOM 1660 N LYS A 105 104.354 5.956 11.172 1.00 0.00 N ATOM 1661 CA LYS A 105 103.328 6.086 12.228 1.00 0.00 C ATOM 1662 C LYS A 105 102.807 7.519 12.249 1.00 0.00 C ATOM 1663 O LYS A 105 101.641 7.761 12.492 1.00 0.00 O ATOM 1664 CB LYS A 105 104.069 5.778 13.521 1.00 0.00 C ATOM 1665 CG LYS A 105 103.079 5.741 14.678 1.00 0.00 C ATOM 1666 CD LYS A 105 103.841 5.442 15.963 1.00 0.00 C ATOM 1667 CE LYS A 105 102.863 5.380 17.136 1.00 0.00 C ATOM 1668 NZ LYS A 105 103.717 5.125 18.325 1.00 0.00 N1+ ATOM 0 H LYS A 105 105.273 5.657 11.498 1.00 0.00 H new ATOM 0 HA LYS A 105 102.474 5.426 12.076 1.00 0.00 H new ATOM 0 HB2 LYS A 105 104.584 4.821 13.438 1.00 0.00 H new ATOM 0 HB3 LYS A 105 104.831 6.535 13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 105 102.558 6.695 14.761 1.00 0.00 H new ATOM 0 HG3 LYS A 105 102.321 4.978 14.502 1.00 0.00 H new ATOM 0 HD2 LYS A 105 104.374 4.496 15.870 1.00 0.00 H new ATOM 0 HD3 LYS A 105 104.590 6.213 16.141 1.00 0.00 H new ATOM 0 HE2 LYS A 105 102.309 6.313 17.239 1.00 0.00 H new ATOM 0 HE3 LYS A 105 102.129 4.586 16.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 103.121 5.068 19.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 104.227 4.228 18.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 104.402 5.900 18.433 1.00 0.00 H new ATOM 1682 N GLN A 106 103.660 8.476 11.981 1.00 0.00 N ATOM 1683 CA GLN A 106 103.208 9.895 11.968 1.00 0.00 C ATOM 1684 C GLN A 106 102.500 10.214 10.640 1.00 0.00 C ATOM 1685 O GLN A 106 101.773 11.182 10.538 1.00 0.00 O ATOM 1686 CB GLN A 106 104.497 10.710 12.114 1.00 0.00 C ATOM 1687 CG GLN A 106 105.066 10.514 13.525 1.00 0.00 C ATOM 1688 CD GLN A 106 106.375 11.296 13.665 1.00 0.00 C ATOM 1689 OE1 GLN A 106 106.740 12.052 12.788 1.00 0.00 O ATOM 1690 NE2 GLN A 106 107.108 11.139 14.735 1.00 0.00 N ATOM 0 H GLN A 106 104.648 8.333 11.771 1.00 0.00 H new ATOM 0 HA GLN A 106 102.493 10.118 12.760 1.00 0.00 H new ATOM 0 HB2 GLN A 106 105.227 10.394 11.368 1.00 0.00 H new ATOM 0 HB3 GLN A 106 104.295 11.766 11.935 1.00 0.00 H new ATOM 0 HG2 GLN A 106 104.346 10.855 14.269 1.00 0.00 H new ATOM 0 HG3 GLN A 106 105.242 9.455 13.713 1.00 0.00 H new ATOM 0 HE21 GLN A 106 106.803 10.504 15.473 1.00 0.00 H new ATOM 0 HE22 GLN A 106 107.985 11.651 14.832 1.00 0.00 H new ATOM 1699 N GLY A 107 102.683 9.402 9.628 1.00 0.00 N ATOM 1700 CA GLY A 107 101.988 9.666 8.330 1.00 0.00 C ATOM 1701 C GLY A 107 102.952 10.236 7.279 1.00 0.00 C ATOM 1702 O GLY A 107 102.550 10.549 6.175 1.00 0.00 O ATOM 0 H GLY A 107 103.279 8.574 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 107 101.548 8.741 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 107 101.169 10.367 8.491 1.00 0.00 H new ATOM 1706 N ASN A 108 104.212 10.373 7.593 1.00 0.00 N ATOM 1707 CA ASN A 108 105.168 10.923 6.581 1.00 0.00 C ATOM 1708 C ASN A 108 106.040 9.807 5.990 1.00 0.00 C ATOM 1709 O ASN A 108 107.058 9.434 6.535 1.00 0.00 O ATOM 1710 CB ASN A 108 106.018 11.939 7.344 1.00 0.00 C ATOM 1711 CG ASN A 108 105.179 13.185 7.636 1.00 0.00 C ATOM 1712 OD1 ASN A 108 104.213 13.456 6.950 1.00 0.00 O ATOM 1713 ND2 ASN A 108 105.504 13.955 8.637 1.00 0.00 N ATOM 0 H ASN A 108 104.621 10.132 8.496 1.00 0.00 H new ATOM 0 HA ASN A 108 104.650 11.382 5.739 1.00 0.00 H new ATOM 0 HB2 ASN A 108 106.378 11.502 8.276 1.00 0.00 H new ATOM 0 HB3 ASN A 108 106.897 12.208 6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 108 104.948 14.784 8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 108 106.315 13.728 9.213 1.00 0.00 H new ATOM 1720 N PHE A 109 105.628 9.275 4.868 1.00 0.00 N ATOM 1721 CA PHE A 109 106.396 8.179 4.201 1.00 0.00 C ATOM 1722 C PHE A 109 107.791 8.628 3.770 1.00 0.00 C ATOM 1723 O PHE A 109 108.759 7.924 3.971 1.00 0.00 O ATOM 1724 CB PHE A 109 105.572 7.841 2.950 1.00 0.00 C ATOM 1725 CG PHE A 109 104.211 7.246 3.293 1.00 0.00 C ATOM 1726 CD1 PHE A 109 103.921 6.736 4.575 1.00 0.00 C ATOM 1727 CD2 PHE A 109 103.229 7.199 2.296 1.00 0.00 C ATOM 1728 CE1 PHE A 109 102.666 6.194 4.848 1.00 0.00 C ATOM 1729 CE2 PHE A 109 101.975 6.654 2.570 1.00 0.00 C ATOM 1730 CZ PHE A 109 101.692 6.151 3.847 1.00 0.00 C ATOM 0 H PHE A 109 104.779 9.558 4.378 1.00 0.00 H new ATOM 0 HA PHE A 109 106.539 7.338 4.879 1.00 0.00 H new ATOM 0 HB2 PHE A 109 105.431 8.744 2.356 1.00 0.00 H new ATOM 0 HB3 PHE A 109 106.128 7.136 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 109 104.674 6.765 5.349 1.00 0.00 H new ATOM 0 HD2 PHE A 109 103.444 7.586 1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 109 102.447 5.808 5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 109 101.221 6.620 1.797 1.00 0.00 H new ATOM 0 HZ PHE A 109 100.720 5.730 4.058 1.00 0.00 H new ATOM 1740 N LYS A 110 107.905 9.770 3.150 1.00 0.00 N ATOM 1741 CA LYS A 110 109.245 10.216 2.678 1.00 0.00 C ATOM 1742 C LYS A 110 110.227 10.396 3.839 1.00 0.00 C ATOM 1743 O LYS A 110 111.360 9.956 3.762 1.00 0.00 O ATOM 1744 CB LYS A 110 109.009 11.550 1.957 1.00 0.00 C ATOM 1745 CG LYS A 110 110.357 12.121 1.502 1.00 0.00 C ATOM 1746 CD LYS A 110 110.155 13.453 0.786 1.00 0.00 C ATOM 1747 CE LYS A 110 111.520 14.005 0.360 1.00 0.00 C ATOM 1748 NZ LYS A 110 111.312 15.463 0.070 1.00 0.00 N1+ ATOM 0 H LYS A 110 107.135 10.409 2.951 1.00 0.00 H new ATOM 0 HA LYS A 110 109.692 9.470 2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 110 108.354 11.402 1.098 1.00 0.00 H new ATOM 0 HB3 LYS A 110 108.508 12.253 2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 110 111.010 12.259 2.364 1.00 0.00 H new ATOM 0 HG3 LYS A 110 110.853 11.414 0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 110 109.515 13.318 -0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 110 109.652 14.161 1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 110 112.259 13.867 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 110 111.893 13.483 -0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 111.790 15.712 -0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 110.294 15.658 -0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 111.707 16.031 0.846 1.00 0.00 H new ATOM 1762 N GLN A 111 109.833 11.068 4.888 1.00 0.00 N ATOM 1763 CA GLN A 111 110.796 11.288 6.003 1.00 0.00 C ATOM 1764 C GLN A 111 111.199 9.951 6.631 1.00 0.00 C ATOM 1765 O GLN A 111 112.347 9.747 6.972 1.00 0.00 O ATOM 1766 CB GLN A 111 110.081 12.200 7.000 1.00 0.00 C ATOM 1767 CG GLN A 111 109.903 13.593 6.387 1.00 0.00 C ATOM 1768 CD GLN A 111 109.133 14.482 7.364 1.00 0.00 C ATOM 1769 OE1 GLN A 111 108.788 14.054 8.448 1.00 0.00 O ATOM 1770 NE2 GLN A 111 108.856 15.712 7.031 1.00 0.00 N ATOM 0 H GLN A 111 108.904 11.467 5.020 1.00 0.00 H new ATOM 0 HA GLN A 111 111.722 11.750 5.661 1.00 0.00 H new ATOM 0 HB2 GLN A 111 109.110 11.780 7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 111 110.657 12.269 7.923 1.00 0.00 H new ATOM 0 HG2 GLN A 111 110.876 14.033 6.167 1.00 0.00 H new ATOM 0 HG3 GLN A 111 109.365 13.521 5.442 1.00 0.00 H new ATOM 0 HE21 GLN A 111 109.145 16.072 6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 111 108.350 16.314 7.680 1.00 0.00 H new ATOM 1779 N GLY A 112 110.278 9.038 6.793 1.00 0.00 N ATOM 1780 CA GLY A 112 110.646 7.729 7.405 1.00 0.00 C ATOM 1781 C GLY A 112 111.608 6.987 6.486 1.00 0.00 C ATOM 1782 O GLY A 112 112.621 6.472 6.914 1.00 0.00 O ATOM 0 H GLY A 112 109.298 9.140 6.531 1.00 0.00 H new ATOM 0 HA2 GLY A 112 111.108 7.889 8.379 1.00 0.00 H new ATOM 0 HA3 GLY A 112 109.751 7.130 7.571 1.00 0.00 H new ATOM 1786 N LEU A 113 111.289 6.916 5.227 1.00 0.00 N ATOM 1787 CA LEU A 113 112.171 6.193 4.275 1.00 0.00 C ATOM 1788 C LEU A 113 113.535 6.867 4.153 1.00 0.00 C ATOM 1789 O LEU A 113 114.545 6.213 4.184 1.00 0.00 O ATOM 1790 CB LEU A 113 111.427 6.264 2.943 1.00 0.00 C ATOM 1791 CG LEU A 113 110.171 5.408 3.037 1.00 0.00 C ATOM 1792 CD1 LEU A 113 109.263 5.677 1.837 1.00 0.00 C ATOM 1793 CD2 LEU A 113 110.567 3.930 3.062 1.00 0.00 C ATOM 0 H LEU A 113 110.452 7.329 4.815 1.00 0.00 H new ATOM 0 HA LEU A 113 112.367 5.172 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 113 111.164 7.296 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 113 112.066 5.909 2.134 1.00 0.00 H new ATOM 0 HG LEU A 113 109.632 5.659 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 113 108.367 5.060 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 113 108.979 6.729 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 113 109.794 5.433 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 113 109.670 3.314 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.109 3.683 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 113 111.204 3.739 3.925 1.00 0.00 H new ATOM 1805 N VAL A 114 113.571 8.161 4.009 1.00 0.00 N ATOM 1806 CA VAL A 114 114.879 8.870 3.859 1.00 0.00 C ATOM 1807 C VAL A 114 115.740 8.703 5.116 1.00 0.00 C ATOM 1808 O VAL A 114 116.909 8.372 5.037 1.00 0.00 O ATOM 1809 CB VAL A 114 114.492 10.332 3.639 1.00 0.00 C ATOM 1810 CG1 VAL A 114 115.749 11.199 3.555 1.00 0.00 C ATOM 1811 CG2 VAL A 114 113.698 10.450 2.335 1.00 0.00 C ATOM 0 H VAL A 114 112.749 8.764 3.988 1.00 0.00 H new ATOM 0 HA VAL A 114 115.478 8.475 3.038 1.00 0.00 H new ATOM 0 HB VAL A 114 113.882 10.675 4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.464 12.239 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 114 116.313 11.113 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 114 116.368 10.863 2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 114 113.419 11.491 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 114 114.311 10.104 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 114 112.798 9.839 2.401 1.00 0.00 H new ATOM 1821 N ASP A 115 115.181 8.925 6.273 1.00 0.00 N ATOM 1822 CA ASP A 115 115.987 8.772 7.517 1.00 0.00 C ATOM 1823 C ASP A 115 116.465 7.323 7.629 1.00 0.00 C ATOM 1824 O ASP A 115 117.544 7.052 8.120 1.00 0.00 O ATOM 1825 CB ASP A 115 115.047 9.141 8.666 1.00 0.00 C ATOM 1826 CG ASP A 115 115.825 9.189 9.986 1.00 0.00 C ATOM 1827 OD1 ASP A 115 116.962 8.741 10.005 1.00 0.00 O ATOM 1828 OD2 ASP A 115 115.273 9.679 10.957 1.00 0.00 O1- ATOM 0 H ASP A 115 114.210 9.203 6.411 1.00 0.00 H new ATOM 0 HA ASP A 115 116.873 9.406 7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 115 114.584 10.109 8.472 1.00 0.00 H new ATOM 0 HB3 ASP A 115 114.241 8.411 8.736 1.00 0.00 H new ATOM 1833 N GLY A 116 115.678 6.389 7.171 1.00 0.00 N ATOM 1834 CA GLY A 116 116.098 4.964 7.244 1.00 0.00 C ATOM 1835 C GLY A 116 117.382 4.769 6.433 1.00 0.00 C ATOM 1836 O GLY A 116 118.278 4.054 6.835 1.00 0.00 O ATOM 0 H GLY A 116 114.763 6.552 6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 116 116.263 4.675 8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 116 115.308 4.321 6.856 1.00 0.00 H new ATOM 1840 N ILE A 117 117.481 5.397 5.290 1.00 0.00 N ATOM 1841 CA ILE A 117 118.716 5.232 4.461 1.00 0.00 C ATOM 1842 C ILE A 117 119.926 5.784 5.220 1.00 0.00 C ATOM 1843 O ILE A 117 120.984 5.186 5.243 1.00 0.00 O ATOM 1844 CB ILE A 117 118.508 6.044 3.172 1.00 0.00 C ATOM 1845 CG1 ILE A 117 117.196 5.657 2.480 1.00 0.00 C ATOM 1846 CG2 ILE A 117 119.666 5.760 2.216 1.00 0.00 C ATOM 1847 CD1 ILE A 117 117.137 4.151 2.249 1.00 0.00 C ATOM 0 H ILE A 117 116.769 6.012 4.896 1.00 0.00 H new ATOM 0 HA ILE A 117 118.895 4.180 4.239 1.00 0.00 H new ATOM 0 HB ILE A 117 118.467 7.101 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 117 116.350 5.970 3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 117 117.112 6.180 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 117 119.528 6.331 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 117 120.606 6.050 2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 117 119.691 4.696 1.981 1.00 0.00 H new ATOM 0 HD11 ILE A 117 116.199 3.895 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 117 117.972 3.847 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 117 117.198 3.633 3.206 1.00 0.00 H new ATOM 1859 N GLU A 118 119.781 6.930 5.831 1.00 0.00 N ATOM 1860 CA GLU A 118 120.928 7.531 6.576 1.00 0.00 C ATOM 1861 C GLU A 118 121.412 6.586 7.680 1.00 0.00 C ATOM 1862 O GLU A 118 122.588 6.301 7.790 1.00 0.00 O ATOM 1863 CB GLU A 118 120.369 8.824 7.168 1.00 0.00 C ATOM 1864 CG GLU A 118 120.063 9.799 6.029 1.00 0.00 C ATOM 1865 CD GLU A 118 119.408 11.070 6.580 1.00 0.00 C ATOM 1866 OE1 GLU A 118 119.230 11.158 7.786 1.00 0.00 O ATOM 1867 OE2 GLU A 118 119.092 11.938 5.783 1.00 0.00 O1- ATOM 0 H GLU A 118 118.920 7.476 5.847 1.00 0.00 H new ATOM 0 HA GLU A 118 121.790 7.713 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 118 119.465 8.617 7.740 1.00 0.00 H new ATOM 0 HB3 GLU A 118 121.088 9.265 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 118 120.983 10.054 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 118 119.401 9.326 5.304 1.00 0.00 H new ATOM 1874 N LYS A 119 120.521 6.088 8.490 1.00 0.00 N ATOM 1875 CA LYS A 119 120.945 5.151 9.569 1.00 0.00 C ATOM 1876 C LYS A 119 121.507 3.864 8.965 1.00 0.00 C ATOM 1877 O LYS A 119 122.527 3.362 9.394 1.00 0.00 O ATOM 1878 CB LYS A 119 119.676 4.862 10.371 1.00 0.00 C ATOM 1879 CG LYS A 119 119.186 6.138 11.064 1.00 0.00 C ATOM 1880 CD LYS A 119 120.244 6.629 12.057 1.00 0.00 C ATOM 1881 CE LYS A 119 119.724 7.867 12.785 1.00 0.00 C ATOM 1882 NZ LYS A 119 120.825 8.261 13.710 1.00 0.00 N1+ ATOM 0 H LYS A 119 119.521 6.287 8.453 1.00 0.00 H new ATOM 0 HA LYS A 119 121.731 5.574 10.194 1.00 0.00 H new ATOM 0 HB2 LYS A 119 118.899 4.477 9.710 1.00 0.00 H new ATOM 0 HB3 LYS A 119 119.874 4.089 11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 119 118.984 6.911 10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 119 118.248 5.943 11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 119 120.477 5.843 12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 119 121.169 6.865 11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 119 119.492 8.669 12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 119 118.808 7.647 13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 120.542 9.106 14.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 121.020 7.481 14.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 121.682 8.471 13.160 1.00 0.00 H new ATOM 1896 N ALA A 120 120.857 3.330 7.969 1.00 0.00 N ATOM 1897 CA ALA A 120 121.362 2.082 7.330 1.00 0.00 C ATOM 1898 C ALA A 120 122.744 2.315 6.710 1.00 0.00 C ATOM 1899 O ALA A 120 123.616 1.472 6.781 1.00 0.00 O ATOM 1900 CB ALA A 120 120.329 1.748 6.255 1.00 0.00 C ATOM 0 H ALA A 120 119.997 3.704 7.569 1.00 0.00 H new ATOM 0 HA ALA A 120 121.481 1.269 8.046 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.627 0.838 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 120 119.355 1.598 6.721 1.00 0.00 H new ATOM 0 HB3 ALA A 120 120.267 2.570 5.542 1.00 0.00 H new ATOM 1906 N GLY A 121 122.946 3.447 6.090 1.00 0.00 N ATOM 1907 CA GLY A 121 124.268 3.721 5.457 1.00 0.00 C ATOM 1908 C GLY A 121 125.346 3.878 6.533 1.00 0.00 C ATOM 1909 O GLY A 121 126.432 3.345 6.414 1.00 0.00 O ATOM 0 H GLY A 121 122.255 4.191 5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 121 124.533 2.906 4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 121 124.210 4.628 4.855 1.00 0.00 H new ATOM 1913 N MET A 122 125.061 4.598 7.586 1.00 0.00 N ATOM 1914 CA MET A 122 126.084 4.767 8.657 1.00 0.00 C ATOM 1915 C MET A 122 126.346 3.420 9.347 1.00 0.00 C ATOM 1916 O MET A 122 127.481 3.019 9.550 1.00 0.00 O ATOM 1917 CB MET A 122 125.480 5.783 9.632 1.00 0.00 C ATOM 1918 CG MET A 122 125.313 7.133 8.924 1.00 0.00 C ATOM 1919 SD MET A 122 124.588 8.336 10.068 1.00 0.00 S ATOM 1920 CE MET A 122 126.029 8.529 11.146 1.00 0.00 C ATOM 0 H MET A 122 124.173 5.072 7.749 1.00 0.00 H new ATOM 0 HA MET A 122 127.043 5.112 8.270 1.00 0.00 H new ATOM 0 HB2 MET A 122 124.515 5.428 9.993 1.00 0.00 H new ATOM 0 HB3 MET A 122 126.125 5.895 10.504 1.00 0.00 H new ATOM 0 HG2 MET A 122 126.280 7.491 8.569 1.00 0.00 H new ATOM 0 HG3 MET A 122 124.674 7.019 8.048 1.00 0.00 H new ATOM 0 HE1 MET A 122 126.057 9.546 11.537 1.00 0.00 H new ATOM 0 HE2 MET A 122 125.961 7.824 11.974 1.00 0.00 H new ATOM 0 HE3 MET A 122 126.938 8.333 10.577 1.00 0.00 H new ATOM 1930 N ALA A 123 125.307 2.702 9.689 1.00 0.00 N ATOM 1931 CA ALA A 123 125.517 1.380 10.345 1.00 0.00 C ATOM 1932 C ALA A 123 126.226 0.447 9.366 1.00 0.00 C ATOM 1933 O ALA A 123 127.165 -0.240 9.715 1.00 0.00 O ATOM 1934 CB ALA A 123 124.124 0.853 10.699 1.00 0.00 C ATOM 0 H ALA A 123 124.334 2.971 9.544 1.00 0.00 H new ATOM 0 HA ALA A 123 126.135 1.452 11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 123 124.215 -0.118 11.185 1.00 0.00 H new ATOM 0 HB2 ALA A 123 123.631 1.552 11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 123 123.532 0.750 9.790 1.00 0.00 H new ATOM 1940 N LEU A 124 125.800 0.440 8.133 1.00 0.00 N ATOM 1941 CA LEU A 124 126.471 -0.421 7.123 1.00 0.00 C ATOM 1942 C LEU A 124 127.920 0.038 6.958 1.00 0.00 C ATOM 1943 O LEU A 124 128.822 -0.765 6.827 1.00 0.00 O ATOM 1944 CB LEU A 124 125.684 -0.219 5.829 1.00 0.00 C ATOM 1945 CG LEU A 124 124.407 -1.058 5.879 1.00 0.00 C ATOM 1946 CD1 LEU A 124 123.452 -0.605 4.773 1.00 0.00 C ATOM 1947 CD2 LEU A 124 124.762 -2.530 5.669 1.00 0.00 C ATOM 0 H LEU A 124 125.017 0.993 7.783 1.00 0.00 H new ATOM 0 HA LEU A 124 126.490 -1.472 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 124 125.436 0.835 5.701 1.00 0.00 H new ATOM 0 HB3 LEU A 124 126.291 -0.510 4.971 1.00 0.00 H new ATOM 0 HG LEU A 124 123.926 -0.930 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 124 122.542 -1.204 4.810 1.00 0.00 H new ATOM 0 HD12 LEU A 124 123.201 0.446 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 124 123.932 -0.734 3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 124 123.854 -3.132 5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 124 125.242 -2.654 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 124 125.444 -2.856 6.455 1.00 0.00 H new ATOM 1959 N ALA A 125 128.154 1.327 6.948 1.00 0.00 N ATOM 1960 CA ALA A 125 129.548 1.826 6.771 1.00 0.00 C ATOM 1961 C ALA A 125 130.474 1.176 7.802 1.00 0.00 C ATOM 1962 O ALA A 125 131.620 0.885 7.518 1.00 0.00 O ATOM 1963 CB ALA A 125 129.469 3.340 6.977 1.00 0.00 C ATOM 0 H ALA A 125 127.443 2.050 7.054 1.00 0.00 H new ATOM 0 HA ALA A 125 129.952 1.582 5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 125 130.462 3.775 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 125 128.794 3.773 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 125 129.095 3.552 7.979 1.00 0.00 H new ATOM 1969 N LYS A 126 129.982 0.910 8.985 1.00 0.00 N ATOM 1970 CA LYS A 126 130.838 0.241 10.008 1.00 0.00 C ATOM 1971 C LYS A 126 131.258 -1.135 9.488 1.00 0.00 C ATOM 1972 O LYS A 126 132.403 -1.532 9.578 1.00 0.00 O ATOM 1973 CB LYS A 126 129.939 0.097 11.239 1.00 0.00 C ATOM 1974 CG LYS A 126 130.721 -0.563 12.378 1.00 0.00 C ATOM 1975 CD LYS A 126 129.827 -0.676 13.616 1.00 0.00 C ATOM 1976 CE LYS A 126 130.610 -1.345 14.750 1.00 0.00 C ATOM 1977 NZ LYS A 126 129.689 -1.336 15.923 1.00 0.00 N1+ ATOM 0 H LYS A 126 129.031 1.126 9.285 1.00 0.00 H new ATOM 0 HA LYS A 126 131.746 0.800 10.235 1.00 0.00 H new ATOM 0 HB2 LYS A 126 129.578 1.076 11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 126 129.062 -0.502 10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 126 131.063 -1.552 12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 126 131.609 0.024 12.611 1.00 0.00 H new ATOM 0 HD2 LYS A 126 129.490 0.313 13.926 1.00 0.00 H new ATOM 0 HD3 LYS A 126 128.935 -1.258 13.382 1.00 0.00 H new ATOM 0 HE2 LYS A 126 130.897 -2.362 14.483 1.00 0.00 H new ATOM 0 HE3 LYS A 126 131.529 -0.801 14.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 130.160 -1.779 16.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 129.438 -0.355 16.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 128.826 -1.867 15.691 1.00 0.00 H new ATOM 1991 N TYR A 127 130.327 -1.853 8.924 1.00 0.00 N ATOM 1992 CA TYR A 127 130.645 -3.199 8.368 1.00 0.00 C ATOM 1993 C TYR A 127 131.502 -3.055 7.108 1.00 0.00 C ATOM 1994 O TYR A 127 132.452 -3.784 6.900 1.00 0.00 O ATOM 1995 CB TYR A 127 129.287 -3.824 8.044 1.00 0.00 C ATOM 1996 CG TYR A 127 128.630 -4.279 9.326 1.00 0.00 C ATOM 1997 CD1 TYR A 127 127.877 -3.376 10.086 1.00 0.00 C ATOM 1998 CD2 TYR A 127 128.771 -5.605 9.755 1.00 0.00 C ATOM 1999 CE1 TYR A 127 127.269 -3.799 11.275 1.00 0.00 C ATOM 2000 CE2 TYR A 127 128.161 -6.027 10.942 1.00 0.00 C ATOM 2001 CZ TYR A 127 127.410 -5.124 11.702 1.00 0.00 C ATOM 2002 OH TYR A 127 126.806 -5.540 12.872 1.00 0.00 O ATOM 0 H TYR A 127 129.354 -1.564 8.824 1.00 0.00 H new ATOM 0 HA TYR A 127 131.213 -3.817 9.063 1.00 0.00 H new ATOM 0 HB2 TYR A 127 128.652 -3.099 7.534 1.00 0.00 H new ATOM 0 HB3 TYR A 127 129.414 -4.669 7.367 1.00 0.00 H new ATOM 0 HD1 TYR A 127 127.765 -2.354 9.756 1.00 0.00 H new ATOM 0 HD2 TYR A 127 129.351 -6.303 9.169 1.00 0.00 H new ATOM 0 HE1 TYR A 127 126.691 -3.102 11.863 1.00 0.00 H new ATOM 0 HE2 TYR A 127 128.270 -7.050 11.271 1.00 0.00 H new ATOM 0 HH TYR A 127 127.003 -6.488 13.022 1.00 0.00 H new ATOM 2012 N PHE A 128 131.172 -2.107 6.270 1.00 0.00 N ATOM 2013 CA PHE A 128 131.959 -1.896 5.027 1.00 0.00 C ATOM 2014 C PHE A 128 132.316 -0.413 4.885 1.00 0.00 C ATOM 2015 O PHE A 128 131.543 0.355 4.347 1.00 0.00 O ATOM 2016 CB PHE A 128 131.044 -2.329 3.886 1.00 0.00 C ATOM 2017 CG PHE A 128 131.005 -3.834 3.809 1.00 0.00 C ATOM 2018 CD1 PHE A 128 130.065 -4.547 4.560 1.00 0.00 C ATOM 2019 CD2 PHE A 128 131.904 -4.515 2.981 1.00 0.00 C ATOM 2020 CE1 PHE A 128 130.024 -5.944 4.485 1.00 0.00 C ATOM 2021 CE2 PHE A 128 131.863 -5.912 2.904 1.00 0.00 C ATOM 2022 CZ PHE A 128 130.922 -6.626 3.656 1.00 0.00 C ATOM 0 H PHE A 128 130.387 -1.469 6.397 1.00 0.00 H new ATOM 0 HA PHE A 128 132.892 -2.460 5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 128 130.039 -1.937 4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 128 131.402 -1.916 2.943 1.00 0.00 H new ATOM 0 HD1 PHE A 128 129.371 -4.020 5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 128 132.629 -3.963 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 128 129.300 -6.495 5.066 1.00 0.00 H new ATOM 0 HE2 PHE A 128 132.556 -6.439 2.265 1.00 0.00 H new ATOM 0 HZ PHE A 128 130.889 -7.704 3.596 1.00 0.00 H new ATOM 2032 N PRO A 129 133.488 -0.055 5.355 1.00 0.00 N ATOM 2033 CA PRO A 129 133.939 1.352 5.251 1.00 0.00 C ATOM 2034 C PRO A 129 134.106 1.736 3.781 1.00 0.00 C ATOM 2035 O PRO A 129 134.384 0.909 2.936 1.00 0.00 O ATOM 2036 CB PRO A 129 135.267 1.363 6.009 1.00 0.00 C ATOM 2037 CG PRO A 129 135.739 -0.052 5.962 1.00 0.00 C ATOM 2038 CD PRO A 129 134.499 -0.902 6.009 1.00 0.00 C ATOM 0 HA PRO A 129 133.236 2.075 5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 129 135.985 2.036 5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 129 135.134 1.703 7.036 1.00 0.00 H new ATOM 0 HG2 PRO A 129 136.310 -0.243 5.053 1.00 0.00 H new ATOM 0 HG3 PRO A 129 136.396 -0.273 6.803 1.00 0.00 H new ATOM 0 HD2 PRO A 129 134.637 -1.846 5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 129 134.218 -1.148 7.033 1.00 0.00 H new ATOM 2046 N TRP A 130 133.901 2.985 3.469 1.00 0.00 N ATOM 2047 CA TRP A 130 134.006 3.434 2.053 1.00 0.00 C ATOM 2048 C TRP A 130 135.456 3.491 1.580 1.00 0.00 C ATOM 2049 O TRP A 130 136.302 4.098 2.204 1.00 0.00 O ATOM 2050 CB TRP A 130 133.417 4.843 2.043 1.00 0.00 C ATOM 2051 CG TRP A 130 133.317 5.301 0.623 1.00 0.00 C ATOM 2052 CD1 TRP A 130 132.426 4.828 -0.277 1.00 0.00 C ATOM 2053 CD2 TRP A 130 134.122 6.293 -0.078 1.00 0.00 C ATOM 2054 NE1 TRP A 130 132.625 5.470 -1.484 1.00 0.00 N ATOM 2055 CE2 TRP A 130 133.663 6.380 -1.415 1.00 0.00 C ATOM 2056 CE3 TRP A 130 135.194 7.119 0.310 1.00 0.00 C ATOM 2057 CZ2 TRP A 130 134.249 7.255 -2.333 1.00 0.00 C ATOM 2058 CZ3 TRP A 130 135.785 8.000 -0.613 1.00 0.00 C ATOM 2059 CH2 TRP A 130 135.313 8.066 -1.930 1.00 0.00 C ATOM 0 H TRP A 130 133.664 3.718 4.138 1.00 0.00 H new ATOM 0 HA TRP A 130 133.488 2.743 1.388 1.00 0.00 H new ATOM 0 HB2 TRP A 130 132.434 4.847 2.513 1.00 0.00 H new ATOM 0 HB3 TRP A 130 134.047 5.522 2.617 1.00 0.00 H new ATOM 0 HD1 TRP A 130 131.680 4.071 -0.084 1.00 0.00 H new ATOM 0 HE1 TRP A 130 132.073 5.294 -2.324 1.00 0.00 H new ATOM 0 HE3 TRP A 130 135.565 7.076 1.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 133.882 7.304 -3.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 136.607 8.629 -0.305 1.00 0.00 H new ATOM 0 HH2 TRP A 130 135.772 8.744 -2.634 1.00 0.00 H new ATOM 2070 N LYS A 131 135.735 2.903 0.451 1.00 0.00 N ATOM 2071 CA LYS A 131 137.116 2.970 -0.098 1.00 0.00 C ATOM 2072 C LYS A 131 137.108 3.885 -1.323 1.00 0.00 C ATOM 2073 O LYS A 131 136.090 4.054 -1.968 1.00 0.00 O ATOM 2074 CB LYS A 131 137.492 1.540 -0.489 1.00 0.00 C ATOM 2075 CG LYS A 131 137.570 0.665 0.762 1.00 0.00 C ATOM 2076 CD LYS A 131 137.937 -0.764 0.358 1.00 0.00 C ATOM 2077 CE LYS A 131 137.975 -1.651 1.603 1.00 0.00 C ATOM 2078 NZ LYS A 131 138.249 -3.022 1.093 1.00 0.00 N1+ ATOM 0 H LYS A 131 135.067 2.379 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 131 137.833 3.368 0.620 1.00 0.00 H new ATOM 0 HB2 LYS A 131 136.753 1.136 -1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 131 138.451 1.535 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 131 138.314 1.063 1.452 1.00 0.00 H new ATOM 0 HG3 LYS A 131 136.614 0.673 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 131 137.209 -1.150 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 131 138.907 -0.775 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 131 138.751 -1.325 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 131 137.029 -1.613 2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 138.290 -3.688 1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 137.490 -3.308 0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 139.159 -3.030 0.589 1.00 0.00 H new ATOM 2092 N LYS A 132 138.208 4.510 -1.627 1.00 0.00 N ATOM 2093 CA LYS A 132 138.224 5.451 -2.784 1.00 0.00 C ATOM 2094 C LYS A 132 137.862 4.732 -4.081 1.00 0.00 C ATOM 2095 O LYS A 132 137.308 5.325 -4.989 1.00 0.00 O ATOM 2096 CB LYS A 132 139.644 6.011 -2.845 1.00 0.00 C ATOM 2097 CG LYS A 132 139.708 7.105 -3.915 1.00 0.00 C ATOM 2098 CD LYS A 132 141.089 7.768 -3.905 1.00 0.00 C ATOM 2099 CE LYS A 132 141.125 8.875 -4.964 1.00 0.00 C ATOM 2100 NZ LYS A 132 142.493 9.460 -4.878 1.00 0.00 N1+ ATOM 0 H LYS A 132 139.093 4.413 -1.130 1.00 0.00 H new ATOM 0 HA LYS A 132 137.488 6.245 -2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 132 139.930 6.417 -1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 132 140.352 5.216 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 132 139.508 6.677 -4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 132 138.936 7.852 -3.730 1.00 0.00 H new ATOM 0 HD2 LYS A 132 141.299 8.184 -2.920 1.00 0.00 H new ATOM 0 HD3 LYS A 132 141.862 7.028 -4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 132 140.931 8.474 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 132 140.362 9.629 -4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 142.588 10.225 -5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 142.648 9.842 -3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 143.199 8.722 -5.075 1.00 0.00 H new ATOM 2114 N ASP A 133 138.163 3.468 -4.182 1.00 0.00 N ATOM 2115 CA ASP A 133 137.821 2.741 -5.433 1.00 0.00 C ATOM 2116 C ASP A 133 136.439 2.080 -5.339 1.00 0.00 C ATOM 2117 O ASP A 133 136.040 1.350 -6.226 1.00 0.00 O ATOM 2118 CB ASP A 133 138.930 1.716 -5.621 1.00 0.00 C ATOM 2119 CG ASP A 133 140.255 2.454 -5.800 1.00 0.00 C ATOM 2120 OD1 ASP A 133 140.224 3.573 -6.287 1.00 0.00 O1- ATOM 2121 OD2 ASP A 133 141.276 1.894 -5.444 1.00 0.00 O ATOM 0 H ASP A 133 138.625 2.913 -3.462 1.00 0.00 H new ATOM 0 HA ASP A 133 137.757 3.415 -6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 133 138.981 1.052 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 133 138.724 1.092 -6.491 1.00 0.00 H new ATOM 2126 N ASP A 134 135.699 2.345 -4.269 1.00 0.00 N ATOM 2127 CA ASP A 134 134.329 1.770 -4.093 1.00 0.00 C ATOM 2128 C ASP A 134 133.546 1.828 -5.408 1.00 0.00 C ATOM 2129 O ASP A 134 133.646 2.771 -6.162 1.00 0.00 O ATOM 2130 CB ASP A 134 133.678 2.695 -3.066 1.00 0.00 C ATOM 2131 CG ASP A 134 132.266 2.202 -2.734 1.00 0.00 C ATOM 2132 OD1 ASP A 134 131.826 1.238 -3.342 1.00 0.00 O ATOM 2133 OD2 ASP A 134 131.645 2.804 -1.876 1.00 0.00 O1- ATOM 0 H ASP A 134 136.003 2.947 -3.504 1.00 0.00 H new ATOM 0 HA ASP A 134 134.351 0.725 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 134 134.283 2.728 -2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 134 133.634 3.712 -3.457 1.00 0.00 H new ATOM 2138 N ILE A 135 132.817 0.799 -5.713 1.00 0.00 N ATOM 2139 CA ILE A 135 132.089 0.772 -7.025 1.00 0.00 C ATOM 2140 C ILE A 135 130.562 0.775 -6.872 1.00 0.00 C ATOM 2141 O ILE A 135 129.995 0.182 -5.978 1.00 0.00 O ATOM 2142 CB ILE A 135 132.567 -0.503 -7.769 1.00 0.00 C ATOM 2143 CG1 ILE A 135 132.767 -1.710 -6.820 1.00 0.00 C ATOM 2144 CG2 ILE A 135 133.897 -0.197 -8.458 1.00 0.00 C ATOM 2145 CD1 ILE A 135 131.466 -2.029 -6.075 1.00 0.00 C ATOM 0 H ILE A 135 132.688 -0.023 -5.123 1.00 0.00 H new ATOM 0 HA ILE A 135 132.317 1.679 -7.584 1.00 0.00 H new ATOM 0 HB ILE A 135 131.793 -0.774 -8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 135 133.088 -2.580 -7.392 1.00 0.00 H new ATOM 0 HG13 ILE A 135 133.558 -1.490 -6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 135 134.246 -1.085 -8.986 1.00 0.00 H new ATOM 0 HG22 ILE A 135 133.759 0.617 -9.169 1.00 0.00 H new ATOM 0 HG23 ILE A 135 134.635 0.095 -7.711 1.00 0.00 H new ATOM 0 HD11 ILE A 135 131.625 -2.880 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 135 131.162 -1.163 -5.487 1.00 0.00 H new ATOM 0 HD13 ILE A 135 130.684 -2.271 -6.795 1.00 0.00 H new ATOM 2157 N ASP A 136 129.897 1.472 -7.744 1.00 0.00 N ATOM 2158 CA ASP A 136 128.410 1.534 -7.689 1.00 0.00 C ATOM 2159 C ASP A 136 127.828 0.993 -9.002 1.00 0.00 C ATOM 2160 O ASP A 136 127.851 1.682 -10.007 1.00 0.00 O ATOM 2161 CB ASP A 136 128.088 3.021 -7.538 1.00 0.00 C ATOM 2162 CG ASP A 136 126.648 3.195 -7.039 1.00 0.00 C ATOM 2163 OD1 ASP A 136 125.915 2.217 -7.026 1.00 0.00 O1- ATOM 2164 OD2 ASP A 136 126.303 4.305 -6.674 1.00 0.00 O ATOM 0 H ASP A 136 130.322 2.008 -8.501 1.00 0.00 H new ATOM 0 HA ASP A 136 127.991 0.941 -6.876 1.00 0.00 H new ATOM 0 HB2 ASP A 136 128.783 3.483 -6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 136 128.215 3.528 -8.494 1.00 0.00 H new ATOM 2169 N GLU A 137 127.328 -0.219 -9.034 1.00 0.00 N ATOM 2170 CA GLU A 137 126.783 -0.741 -10.328 1.00 0.00 C ATOM 2171 C GLU A 137 125.252 -0.671 -10.368 1.00 0.00 C ATOM 2172 O GLU A 137 124.629 -1.160 -11.292 1.00 0.00 O ATOM 2173 CB GLU A 137 127.259 -2.187 -10.421 1.00 0.00 C ATOM 2174 CG GLU A 137 128.783 -2.217 -10.568 1.00 0.00 C ATOM 2175 CD GLU A 137 129.276 -3.671 -10.584 1.00 0.00 C ATOM 2176 OE1 GLU A 137 128.465 -4.565 -10.389 1.00 0.00 O1- ATOM 2177 OE2 GLU A 137 130.463 -3.866 -10.782 1.00 0.00 O ATOM 0 H GLU A 137 127.273 -0.857 -8.240 1.00 0.00 H new ATOM 0 HA GLU A 137 127.132 -0.141 -11.169 1.00 0.00 H new ATOM 0 HB2 GLU A 137 126.959 -2.738 -9.530 1.00 0.00 H new ATOM 0 HB3 GLU A 137 126.791 -2.680 -11.273 1.00 0.00 H new ATOM 0 HG2 GLU A 137 129.079 -1.713 -11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 137 129.248 -1.675 -9.744 1.00 0.00 H new ATOM 2184 N LEU A 138 124.635 -0.084 -9.379 1.00 0.00 N ATOM 2185 CA LEU A 138 123.151 -0.014 -9.379 1.00 0.00 C ATOM 2186 C LEU A 138 122.677 1.444 -9.508 1.00 0.00 C ATOM 2187 O LEU A 138 123.248 2.329 -8.902 1.00 0.00 O ATOM 2188 CB LEU A 138 122.736 -0.596 -8.031 1.00 0.00 C ATOM 2189 CG LEU A 138 121.690 -1.693 -8.240 1.00 0.00 C ATOM 2190 CD1 LEU A 138 122.322 -2.874 -8.981 1.00 0.00 C ATOM 2191 CD2 LEU A 138 121.173 -2.164 -6.880 1.00 0.00 C ATOM 0 H LEU A 138 125.093 0.347 -8.576 1.00 0.00 H new ATOM 0 HA LEU A 138 122.713 -0.557 -10.216 1.00 0.00 H new ATOM 0 HB2 LEU A 138 123.606 -1.004 -7.517 1.00 0.00 H new ATOM 0 HB3 LEU A 138 122.330 0.190 -7.395 1.00 0.00 H new ATOM 0 HG LEU A 138 120.863 -1.298 -8.831 1.00 0.00 H new ATOM 0 HD11 LEU A 138 121.574 -3.653 -9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 138 122.693 -2.539 -9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 138 123.150 -3.271 -8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 138 120.427 -2.946 -7.025 1.00 0.00 H new ATOM 0 HD22 LEU A 138 122.002 -2.558 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 138 120.721 -1.325 -6.352 1.00 0.00 H new ATOM 2203 N PRO A 139 121.638 1.651 -10.289 1.00 0.00 N ATOM 2204 CA PRO A 139 121.101 3.018 -10.474 1.00 0.00 C ATOM 2205 C PRO A 139 120.418 3.483 -9.188 1.00 0.00 C ATOM 2206 O PRO A 139 120.111 2.667 -8.337 1.00 0.00 O ATOM 2207 CB PRO A 139 120.100 2.861 -11.621 1.00 0.00 C ATOM 2208 CG PRO A 139 119.702 1.422 -11.599 1.00 0.00 C ATOM 2209 CD PRO A 139 120.876 0.652 -11.057 1.00 0.00 C ATOM 0 HA PRO A 139 121.864 3.764 -10.698 1.00 0.00 H new ATOM 0 HB2 PRO A 139 119.236 3.511 -11.481 1.00 0.00 H new ATOM 0 HB3 PRO A 139 120.550 3.130 -12.576 1.00 0.00 H new ATOM 0 HG2 PRO A 139 118.821 1.274 -10.974 1.00 0.00 H new ATOM 0 HG3 PRO A 139 119.443 1.078 -12.600 1.00 0.00 H new ATOM 0 HD2 PRO A 139 120.553 -0.175 -10.425 1.00 0.00 H new ATOM 0 HD3 PRO A 139 121.476 0.224 -11.860 1.00 0.00 H new ATOM 2217 N ASN A 140 120.134 4.749 -9.029 1.00 0.00 N ATOM 2218 CA ASN A 140 119.427 5.186 -7.793 1.00 0.00 C ATOM 2219 C ASN A 140 117.947 5.455 -8.101 1.00 0.00 C ATOM 2220 O ASN A 140 117.220 5.981 -7.280 1.00 0.00 O ATOM 2221 CB ASN A 140 120.137 6.471 -7.376 1.00 0.00 C ATOM 2222 CG ASN A 140 121.582 6.134 -7.022 1.00 0.00 C ATOM 2223 OD1 ASN A 140 122.506 6.711 -7.562 1.00 0.00 O ATOM 2224 ND2 ASN A 140 121.818 5.208 -6.136 1.00 0.00 N ATOM 0 H ASN A 140 120.358 5.490 -9.693 1.00 0.00 H new ATOM 0 HA ASN A 140 119.452 4.433 -7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 140 120.106 7.200 -8.185 1.00 0.00 H new ATOM 0 HB3 ASN A 140 119.633 6.922 -6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 140 122.779 4.966 -5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 140 121.042 4.725 -5.684 1.00 0.00 H new ATOM 2231 N THR A 141 117.489 5.110 -9.285 1.00 0.00 N ATOM 2232 CA THR A 141 116.073 5.360 -9.633 1.00 0.00 C ATOM 2233 C THR A 141 115.146 4.584 -8.704 1.00 0.00 C ATOM 2234 O THR A 141 115.438 3.484 -8.278 1.00 0.00 O ATOM 2235 CB THR A 141 115.915 4.876 -11.079 1.00 0.00 C ATOM 2236 OG1 THR A 141 114.577 5.099 -11.499 1.00 0.00 O ATOM 2237 CG2 THR A 141 116.232 3.380 -11.179 1.00 0.00 C ATOM 0 H THR A 141 118.044 4.667 -10.017 1.00 0.00 H new ATOM 0 HA THR A 141 115.812 6.413 -9.528 1.00 0.00 H new ATOM 0 HB THR A 141 116.607 5.427 -11.716 1.00 0.00 H new ATOM 0 HG1 THR A 141 114.469 4.793 -12.424 1.00 0.00 H new ATOM 0 HG21 THR A 141 116.115 3.052 -12.212 1.00 0.00 H new ATOM 0 HG22 THR A 141 117.258 3.203 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 141 115.549 2.820 -10.541 1.00 0.00 H new ATOM 2245 N ILE A 142 114.025 5.166 -8.389 1.00 0.00 N ATOM 2246 CA ILE A 142 113.050 4.494 -7.490 1.00 0.00 C ATOM 2247 C ILE A 142 112.271 3.430 -8.270 1.00 0.00 C ATOM 2248 O ILE A 142 111.858 3.650 -9.392 1.00 0.00 O ATOM 2249 CB ILE A 142 112.122 5.612 -7.015 1.00 0.00 C ATOM 2250 CG1 ILE A 142 112.915 6.614 -6.170 1.00 0.00 C ATOM 2251 CG2 ILE A 142 110.997 5.018 -6.171 1.00 0.00 C ATOM 2252 CD1 ILE A 142 112.049 7.843 -5.890 1.00 0.00 C ATOM 0 H ILE A 142 113.740 6.088 -8.720 1.00 0.00 H new ATOM 0 HA ILE A 142 113.529 3.985 -6.654 1.00 0.00 H new ATOM 0 HB ILE A 142 111.699 6.121 -7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 142 113.223 6.152 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 142 113.824 6.908 -6.694 1.00 0.00 H new ATOM 0 HG21 ILE A 142 110.336 5.816 -5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 142 110.430 4.306 -6.770 1.00 0.00 H new ATOM 0 HG23 ILE A 142 111.421 4.507 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 142 112.613 8.556 -5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 142 111.763 8.309 -6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 142 111.153 7.541 -5.348 1.00 0.00 H new ATOM 2264 N SER A 143 112.043 2.291 -7.681 1.00 0.00 N ATOM 2265 CA SER A 143 111.266 1.235 -8.390 1.00 0.00 C ATOM 2266 C SER A 143 109.785 1.359 -8.012 1.00 0.00 C ATOM 2267 O SER A 143 109.438 1.477 -6.853 1.00 0.00 O ATOM 2268 CB SER A 143 111.855 -0.091 -7.908 1.00 0.00 C ATOM 2269 OG SER A 143 113.113 -0.297 -8.542 1.00 0.00 O ATOM 0 H SER A 143 112.359 2.045 -6.743 1.00 0.00 H new ATOM 0 HA SER A 143 111.328 1.317 -9.475 1.00 0.00 H new ATOM 0 HB2 SER A 143 111.977 -0.077 -6.825 1.00 0.00 H new ATOM 0 HB3 SER A 143 111.177 -0.911 -8.142 1.00 0.00 H new ATOM 0 HG SER A 143 113.498 -1.145 -8.237 1.00 0.00 H new ATOM 2275 N LYS A 144 108.910 1.334 -8.984 1.00 0.00 N ATOM 2276 CA LYS A 144 107.450 1.451 -8.687 1.00 0.00 C ATOM 2277 C LYS A 144 106.689 0.282 -9.316 1.00 0.00 C ATOM 2278 O LYS A 144 106.940 -0.094 -10.444 1.00 0.00 O ATOM 2279 CB LYS A 144 107.013 2.765 -9.341 1.00 0.00 C ATOM 2280 CG LYS A 144 105.535 3.021 -9.029 1.00 0.00 C ATOM 2281 CD LYS A 144 105.100 4.351 -9.651 1.00 0.00 C ATOM 2282 CE LYS A 144 103.627 4.613 -9.323 1.00 0.00 C ATOM 2283 NZ LYS A 144 103.301 5.900 -10.003 1.00 0.00 N1+ ATOM 0 H LYS A 144 109.143 1.237 -9.972 1.00 0.00 H new ATOM 0 HA LYS A 144 107.249 1.435 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 144 107.623 3.589 -8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 144 107.165 2.716 -10.419 1.00 0.00 H new ATOM 0 HG2 LYS A 144 104.924 2.208 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 144 105.380 3.045 -7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 144 105.718 5.163 -9.268 1.00 0.00 H new ATOM 0 HD3 LYS A 144 105.243 4.323 -10.731 1.00 0.00 H new ATOM 0 HE2 LYS A 144 102.992 3.804 -9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 144 103.469 4.685 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 102.306 6.145 -9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 103.916 6.653 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 103.453 5.800 -11.027 1.00 0.00 H new ATOM 2297 N GLY A 145 105.757 -0.289 -8.609 1.00 0.00 N ATOM 2298 CA GLY A 145 104.985 -1.424 -9.187 1.00 0.00 C ATOM 2299 C GLY A 145 103.502 -1.054 -9.250 1.00 0.00 C ATOM 2300 O GLY A 145 102.756 -1.784 -9.881 1.00 0.00 O ATOM 2301 OXT GLY A 145 103.140 -0.043 -8.671 1.00 0.00 O ATOM 0 H GLY A 145 105.496 -0.021 -7.660 1.00 0.00 H new ATOM 0 HA2 GLY A 145 105.355 -1.658 -10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 145 105.122 -2.318 -8.579 1.00 0.00 H new