USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 856 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 54 LYS NZ :NH3+ 175:sc= 0.086! (180deg=0.00581) USER MOD Set 1.2: A 90 TYR OH : rot -172:sc= 1.08 USER MOD Single : A 6 HIS : no HE2:sc= 0.311 K(o=0.31,f=-5.3!) USER MOD Single : A 8 SER OG : rot -160:sc= -0.313 USER MOD Single : A 9 LYS NZ :NH3+ 145:sc= 1.31 (180deg=-1.38!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -4.72! K(o=-4.7!,f=-3.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.18 USER MOD Single : A 20 GLN : amide:sc= -0.784 K(o=-0.78,f=-7.3!) USER MOD Single : A 23 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.8!) USER MOD Single : A 24 MET CE :methyl -137:sc= -0.0894 (180deg=-1.52!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 139:sc= 1.23 (180deg=-1.62!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.0151 X(o=-0.015,f=-0.019) USER MOD Single : A 44 SER OG : rot 109:sc= -3.28! USER MOD Single : A 45 TYR OH : rot 86:sc= 0.216 USER MOD Single : A 48 SER OG : rot 60:sc= -1.55! USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= 0.602! (180deg=-0.149) USER MOD Single : A 57 HIS : no HD1:sc= -1.91! X(o=-1.9!,f=-1.5) USER MOD Single : A 58 CYS SG : rot 4:sc= -0.44 USER MOD Single : A 61 GLN : amide:sc= -0.43 K(o=-0.43,f=-8.8!) USER MOD Single : A 62 GLN : amide:sc= -0.288 K(o=-0.29,f=-2) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 128:sc= -0.213 USER MOD Single : A 68 MET CE :methyl -164:sc= -0.0702 (180deg=-0.448) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 72 SER OG : rot 43:sc= 1.15 USER MOD Single : A 76 SER OG : rot 180:sc= -2.47! USER MOD Single : A 82 SER OG : rot 75:sc= -0.688! USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 46:sc= 0.941 USER MOD Single : A 86 LYS NZ :NH3+ 165:sc= 1.43 (180deg=1.22) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 92 LYS NZ :NH3+ -164:sc= 1.75 (180deg=1.22) USER MOD Single : A 93 MET CE :methyl 145:sc= -12.6! (180deg=-22!) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 1.62 (180deg=1.37) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.53 K(o=-1.5,f=-5.7!) USER MOD Single : B 8 SER OG : rot 91:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 33 N GLU B 4 5.670 -3.310 -15.061 1.00 0.00 N ATOM 34 CA GLU B 4 4.606 -3.645 -14.068 1.00 0.00 C ATOM 35 C GLU B 4 3.831 -4.901 -14.496 1.00 0.00 C ATOM 36 O GLU B 4 3.355 -5.011 -15.613 1.00 0.00 O ATOM 37 CB GLU B 4 3.688 -2.416 -14.041 1.00 0.00 C ATOM 38 CG GLU B 4 3.241 -2.061 -15.459 1.00 0.00 C ATOM 39 CD GLU B 4 1.750 -1.793 -15.441 1.00 0.00 C ATOM 40 OE1 GLU B 4 1.366 -0.729 -14.979 1.00 0.00 O ATOM 41 OE2 GLU B 4 1.002 -2.661 -15.862 1.00 0.00 O ATOM 0 HA GLU B 4 5.021 -3.866 -13.084 1.00 0.00 H new ATOM 0 HB2 GLU B 4 2.817 -2.617 -13.417 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.212 -1.571 -13.595 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.779 -1.183 -15.817 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.471 -2.877 -16.144 1.00 0.00 H new ATOM 48 N VAL B 5 3.700 -5.849 -13.603 1.00 0.00 N ATOM 49 CA VAL B 5 2.955 -7.109 -13.921 1.00 0.00 C ATOM 50 C VAL B 5 2.789 -7.964 -12.652 1.00 0.00 C ATOM 51 O VAL B 5 3.555 -8.869 -12.383 1.00 0.00 O ATOM 52 CB VAL B 5 3.796 -7.834 -14.986 1.00 0.00 C ATOM 53 CG1 VAL B 5 5.209 -8.105 -14.458 1.00 0.00 C ATOM 54 CG2 VAL B 5 3.129 -9.167 -15.345 1.00 0.00 C ATOM 0 H VAL B 5 4.080 -5.805 -12.658 1.00 0.00 H new ATOM 0 HA VAL B 5 1.949 -6.910 -14.291 1.00 0.00 H new ATOM 0 HB VAL B 5 3.862 -7.200 -15.870 1.00 0.00 H new ATOM 0 HG11 VAL B 5 5.791 -8.618 -15.223 1.00 0.00 H new ATOM 0 HG12 VAL B 5 5.691 -7.160 -14.208 1.00 0.00 H new ATOM 0 HG13 VAL B 5 5.151 -8.730 -13.567 1.00 0.00 H new ATOM 0 HG21 VAL B 5 3.725 -9.680 -16.100 1.00 0.00 H new ATOM 0 HG22 VAL B 5 3.058 -9.790 -14.453 1.00 0.00 H new ATOM 0 HG23 VAL B 5 2.130 -8.980 -15.738 1.00 0.00 H new ATOM 89 N GLU B 7 -0.260 -9.629 -9.491 1.00 0.00 N ATOM 90 CA GLU B 7 -1.646 -10.183 -9.407 1.00 0.00 C ATOM 91 C GLU B 7 -2.241 -10.000 -7.986 1.00 0.00 C ATOM 92 O GLU B 7 -3.283 -9.395 -7.822 1.00 0.00 O ATOM 93 CB GLU B 7 -1.486 -11.667 -9.741 1.00 0.00 C ATOM 94 CG GLU B 7 -1.444 -11.851 -11.264 1.00 0.00 C ATOM 95 CD GLU B 7 -2.496 -12.874 -11.691 1.00 0.00 C ATOM 96 OE1 GLU B 7 -2.230 -14.055 -11.567 1.00 0.00 O ATOM 97 OE2 GLU B 7 -3.557 -12.454 -12.127 1.00 0.00 O ATOM 0 HA GLU B 7 -2.331 -9.674 -10.085 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -0.571 -12.054 -9.293 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.314 -12.236 -9.319 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.628 -10.898 -11.760 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.453 -12.185 -11.572 1.00 0.00 H new ATOM 104 N SER B 8 -1.592 -10.517 -6.960 1.00 0.00 N ATOM 105 CA SER B 8 -2.130 -10.359 -5.558 1.00 0.00 C ATOM 106 C SER B 8 -1.162 -9.512 -4.712 1.00 0.00 C ATOM 107 O SER B 8 -0.058 -9.939 -4.414 1.00 0.00 O ATOM 108 CB SER B 8 -2.248 -11.775 -4.990 1.00 0.00 C ATOM 109 OG SER B 8 -2.922 -11.716 -3.734 1.00 0.00 O ATOM 0 H SER B 8 -0.718 -11.039 -7.030 1.00 0.00 H new ATOM 0 HA SER B 8 -3.094 -9.850 -5.550 1.00 0.00 H new ATOM 0 HB2 SER B 8 -2.796 -12.414 -5.682 1.00 0.00 H new ATOM 0 HB3 SER B 8 -1.258 -12.215 -4.866 1.00 0.00 H new ATOM 0 HG SER B 8 -3.886 -11.820 -3.875 1.00 0.00 H new ATOM 115 N PRO B 9 -1.597 -8.315 -4.382 1.00 0.00 N ATOM 116 CA PRO B 9 -0.749 -7.377 -3.605 1.00 0.00 C ATOM 117 C PRO B 9 -0.703 -7.724 -2.102 1.00 0.00 C ATOM 118 O PRO B 9 0.082 -8.557 -1.683 1.00 0.00 O ATOM 119 CB PRO B 9 -1.399 -6.017 -3.867 1.00 0.00 C ATOM 120 CG PRO B 9 -2.824 -6.310 -4.215 1.00 0.00 C ATOM 121 CD PRO B 9 -2.904 -7.735 -4.704 1.00 0.00 C ATOM 0 HA PRO B 9 0.298 -7.412 -3.907 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -1.334 -5.376 -2.988 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -0.897 -5.493 -4.680 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.465 -6.170 -3.345 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -3.177 -5.623 -4.984 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.710 -8.278 -4.211 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.102 -7.775 -5.775 1.00 0.00 H new ATOM 154 N ALA B 11 -2.999 -8.691 1.490 1.00 0.00 N ATOM 155 CA ALA B 11 -4.315 -8.992 2.133 1.00 0.00 C ATOM 156 C ALA B 11 -4.108 -9.349 3.615 1.00 0.00 C ATOM 157 O ALA B 11 -4.804 -8.861 4.483 1.00 0.00 O ATOM 158 CB ALA B 11 -4.863 -10.191 1.354 1.00 0.00 C ATOM 0 HA ALA B 11 -4.999 -8.144 2.107 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -5.832 -10.479 1.763 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -4.978 -9.921 0.304 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -4.170 -11.028 1.440 1.00 0.00 H new ATOM 164 N ASP B 12 -3.149 -10.196 3.903 1.00 0.00 N ATOM 165 CA ASP B 12 -2.875 -10.592 5.321 1.00 0.00 C ATOM 166 C ASP B 12 -2.074 -9.483 6.030 1.00 0.00 C ATOM 167 O ASP B 12 -1.505 -8.621 5.380 1.00 0.00 O ATOM 168 CB ASP B 12 -2.045 -11.884 5.222 1.00 0.00 C ATOM 169 CG ASP B 12 -2.696 -12.857 4.234 1.00 0.00 C ATOM 170 OD1 ASP B 12 -2.476 -12.694 3.043 1.00 0.00 O ATOM 171 OD2 ASP B 12 -3.400 -13.743 4.683 1.00 0.00 O ATOM 0 H ASP B 12 -2.540 -10.633 3.211 1.00 0.00 H new ATOM 0 HA ASP B 12 -3.789 -10.743 5.896 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -1.031 -11.649 4.898 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -1.966 -12.350 6.204 1.00 0.00 H new ATOM 176 N PRO B 13 -2.054 -9.532 7.343 1.00 0.00 N ATOM 177 CA PRO B 13 -1.314 -8.508 8.124 1.00 0.00 C ATOM 178 C PRO B 13 0.213 -8.714 8.013 1.00 0.00 C ATOM 179 O PRO B 13 0.879 -8.036 7.250 1.00 0.00 O ATOM 180 CB PRO B 13 -1.821 -8.713 9.552 1.00 0.00 C ATOM 181 CG PRO B 13 -2.297 -10.132 9.606 1.00 0.00 C ATOM 182 CD PRO B 13 -2.705 -10.527 8.208 1.00 0.00 C ATOM 0 HA PRO B 13 -1.483 -7.492 7.767 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -1.028 -8.537 10.279 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -2.628 -8.019 9.786 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -1.508 -10.787 9.975 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -3.138 -10.228 10.293 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -2.376 -11.538 7.969 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -3.788 -10.508 8.090 1.00 0.00 H new ATOM 243 N GLY A 4 -11.062 3.386 8.590 1.00 0.00 N ATOM 244 CA GLY A 4 -9.919 4.194 8.058 1.00 0.00 C ATOM 245 C GLY A 4 -10.403 5.094 6.919 1.00 0.00 C ATOM 246 O GLY A 4 -11.356 5.844 7.075 1.00 0.00 O ATOM 0 HA2 GLY A 4 -9.489 4.801 8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.130 3.532 7.700 1.00 0.00 H new ATOM 250 N ILE A 5 -9.746 5.032 5.778 1.00 0.00 N ATOM 251 CA ILE A 5 -10.127 5.866 4.577 1.00 0.00 C ATOM 252 C ILE A 5 -9.941 7.382 4.819 1.00 0.00 C ATOM 253 O ILE A 5 -9.647 8.119 3.899 1.00 0.00 O ATOM 254 CB ILE A 5 -11.598 5.538 4.283 1.00 0.00 C ATOM 255 CG1 ILE A 5 -11.693 4.181 3.580 1.00 0.00 C ATOM 256 CG2 ILE A 5 -12.200 6.609 3.367 1.00 0.00 C ATOM 257 CD1 ILE A 5 -11.444 3.060 4.587 1.00 0.00 C ATOM 0 H ILE A 5 -8.942 4.424 5.623 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.478 5.628 3.734 1.00 0.00 H new ATOM 0 HB ILE A 5 -12.146 5.509 5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.677 4.064 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -10.962 4.127 2.773 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -13.244 6.369 3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.140 7.581 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.645 6.640 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -11.513 2.096 4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.450 3.173 5.019 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.192 3.109 5.379 1.00 0.00 H new ATOM 269 N HIS A 6 -10.112 7.855 6.028 1.00 0.00 N ATOM 270 CA HIS A 6 -9.950 9.315 6.296 1.00 0.00 C ATOM 271 C HIS A 6 -8.670 9.562 7.102 1.00 0.00 C ATOM 272 O HIS A 6 -7.777 10.259 6.664 1.00 0.00 O ATOM 273 CB HIS A 6 -11.188 9.716 7.115 1.00 0.00 C ATOM 274 CG HIS A 6 -12.449 9.326 6.387 1.00 0.00 C ATOM 275 ND1 HIS A 6 -12.929 8.024 6.378 1.00 0.00 N ATOM 276 CD2 HIS A 6 -13.346 10.061 5.655 1.00 0.00 C ATOM 277 CE1 HIS A 6 -14.069 8.019 5.663 1.00 0.00 C ATOM 278 NE2 HIS A 6 -14.369 9.234 5.199 1.00 0.00 N ATOM 0 H HIS A 6 -10.357 7.291 6.842 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.868 9.896 5.377 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.159 9.231 8.091 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.181 10.791 7.293 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -12.497 7.218 6.830 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.270 11.121 5.462 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -14.669 7.138 5.486 1.00 0.00 H new ATOM 286 N GLU A 7 -8.578 8.993 8.282 1.00 0.00 N ATOM 287 CA GLU A 7 -7.356 9.195 9.125 1.00 0.00 C ATOM 288 C GLU A 7 -6.147 8.444 8.543 1.00 0.00 C ATOM 289 O GLU A 7 -5.017 8.823 8.780 1.00 0.00 O ATOM 290 CB GLU A 7 -7.720 8.642 10.505 1.00 0.00 C ATOM 291 CG GLU A 7 -6.741 9.188 11.554 1.00 0.00 C ATOM 292 CD GLU A 7 -5.629 8.169 11.814 1.00 0.00 C ATOM 293 OE1 GLU A 7 -5.936 7.106 12.336 1.00 0.00 O ATOM 294 OE2 GLU A 7 -4.491 8.463 11.487 1.00 0.00 O ATOM 0 H GLU A 7 -9.296 8.398 8.697 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.071 10.246 9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.740 8.925 10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.685 7.553 10.492 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.311 10.127 11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.272 9.404 12.481 1.00 0.00 H new ATOM 301 N SER A 8 -6.362 7.391 7.778 1.00 0.00 N ATOM 302 CA SER A 8 -5.197 6.644 7.188 1.00 0.00 C ATOM 303 C SER A 8 -4.447 7.549 6.194 1.00 0.00 C ATOM 304 O SER A 8 -4.715 8.734 6.101 1.00 0.00 O ATOM 305 CB SER A 8 -5.797 5.414 6.495 1.00 0.00 C ATOM 306 OG SER A 8 -4.827 4.822 5.635 1.00 0.00 O ATOM 0 H SER A 8 -7.282 7.021 7.540 1.00 0.00 H new ATOM 0 HA SER A 8 -4.471 6.342 7.943 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.126 4.690 7.240 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.678 5.702 5.921 1.00 0.00 H new ATOM 0 HG SER A 8 -5.278 4.257 4.973 1.00 0.00 H new ATOM 312 N LYS A 9 -3.492 7.028 5.465 1.00 0.00 N ATOM 313 CA LYS A 9 -2.731 7.922 4.524 1.00 0.00 C ATOM 314 C LYS A 9 -2.799 7.486 3.042 1.00 0.00 C ATOM 315 O LYS A 9 -2.913 8.331 2.168 1.00 0.00 O ATOM 316 CB LYS A 9 -1.285 7.894 5.043 1.00 0.00 C ATOM 317 CG LYS A 9 -0.326 8.469 3.990 1.00 0.00 C ATOM 318 CD LYS A 9 -0.763 9.883 3.587 1.00 0.00 C ATOM 319 CE LYS A 9 -0.182 10.231 2.209 1.00 0.00 C ATOM 320 NZ LYS A 9 -0.917 9.367 1.233 1.00 0.00 N ATOM 0 H LYS A 9 -3.208 6.049 5.475 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.168 8.921 4.519 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.212 8.471 5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.998 6.870 5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.689 8.494 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.309 7.823 3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.851 9.944 3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.422 10.605 4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.322 11.287 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.890 10.037 2.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.051 9.886 0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.367 8.503 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.845 9.110 1.627 1.00 0.00 H new ATOM 334 N GLU A 10 -2.692 6.218 2.724 1.00 0.00 N ATOM 335 CA GLU A 10 -2.711 5.814 1.266 1.00 0.00 C ATOM 336 C GLU A 10 -4.131 5.520 0.757 1.00 0.00 C ATOM 337 O GLU A 10 -4.392 4.489 0.163 1.00 0.00 O ATOM 338 CB GLU A 10 -1.825 4.567 1.173 1.00 0.00 C ATOM 339 CG GLU A 10 -0.436 4.955 0.647 1.00 0.00 C ATOM 340 CD GLU A 10 0.152 6.078 1.503 1.00 0.00 C ATOM 341 OE1 GLU A 10 0.499 5.810 2.641 1.00 0.00 O ATOM 342 OE2 GLU A 10 0.239 7.194 1.005 1.00 0.00 O ATOM 0 H GLU A 10 -2.594 5.452 3.390 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.345 6.626 0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.735 4.099 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.283 3.833 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.224 4.088 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.508 5.278 -0.392 1.00 0.00 H new ATOM 349 N TRP A 11 -5.039 6.432 0.955 1.00 0.00 N ATOM 350 CA TRP A 11 -6.439 6.228 0.454 1.00 0.00 C ATOM 351 C TRP A 11 -6.680 7.028 -0.843 1.00 0.00 C ATOM 352 O TRP A 11 -7.788 7.098 -1.334 1.00 0.00 O ATOM 353 CB TRP A 11 -7.389 6.701 1.575 1.00 0.00 C ATOM 354 CG TRP A 11 -6.839 7.899 2.288 1.00 0.00 C ATOM 355 CD1 TRP A 11 -6.357 7.882 3.549 1.00 0.00 C ATOM 356 CD2 TRP A 11 -6.702 9.273 1.815 1.00 0.00 C ATOM 357 NE1 TRP A 11 -5.931 9.152 3.884 1.00 0.00 N ATOM 358 CE2 TRP A 11 -6.120 10.044 2.850 1.00 0.00 C ATOM 359 CE3 TRP A 11 -7.016 9.918 0.603 1.00 0.00 C ATOM 360 CZ2 TRP A 11 -5.865 11.406 2.691 1.00 0.00 C ATOM 361 CZ3 TRP A 11 -6.760 11.290 0.441 1.00 0.00 C ATOM 362 CH2 TRP A 11 -6.183 12.031 1.482 1.00 0.00 C ATOM 0 H TRP A 11 -4.879 7.314 1.442 1.00 0.00 H new ATOM 0 HA TRP A 11 -6.615 5.179 0.215 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.363 6.944 1.150 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.545 5.891 2.288 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.312 7.015 4.192 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.526 9.400 4.787 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -7.456 9.355 -0.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.425 11.974 3.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -7.009 11.776 -0.491 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.984 13.084 1.350 1.00 0.00 H new ATOM 373 N TYR A 12 -5.663 7.650 -1.393 1.00 0.00 N ATOM 374 CA TYR A 12 -5.870 8.455 -2.638 1.00 0.00 C ATOM 375 C TYR A 12 -5.379 7.710 -3.898 1.00 0.00 C ATOM 376 O TYR A 12 -4.494 8.169 -4.599 1.00 0.00 O ATOM 377 CB TYR A 12 -5.068 9.744 -2.406 1.00 0.00 C ATOM 378 CG TYR A 12 -5.387 10.744 -3.497 1.00 0.00 C ATOM 379 CD1 TYR A 12 -6.701 11.200 -3.672 1.00 0.00 C ATOM 380 CD2 TYR A 12 -4.369 11.210 -4.336 1.00 0.00 C ATOM 381 CE1 TYR A 12 -6.993 12.120 -4.686 1.00 0.00 C ATOM 382 CE2 TYR A 12 -4.663 12.129 -5.351 1.00 0.00 C ATOM 383 CZ TYR A 12 -5.975 12.584 -5.525 1.00 0.00 C ATOM 384 OH TYR A 12 -6.264 13.486 -6.527 1.00 0.00 O ATOM 0 H TYR A 12 -4.707 7.635 -1.037 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.927 8.650 -2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.311 10.165 -1.430 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.000 9.524 -2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.488 10.842 -3.025 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.356 10.861 -4.201 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.005 12.472 -4.820 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.877 12.487 -6.000 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.444 13.706 -7.016 1.00 0.00 H new ATOM 394 N HIS A 13 -5.959 6.575 -4.211 1.00 0.00 N ATOM 395 CA HIS A 13 -5.542 5.839 -5.442 1.00 0.00 C ATOM 396 C HIS A 13 -6.075 6.590 -6.678 1.00 0.00 C ATOM 397 O HIS A 13 -7.073 6.216 -7.268 1.00 0.00 O ATOM 398 CB HIS A 13 -6.159 4.423 -5.320 1.00 0.00 C ATOM 399 CG HIS A 13 -7.644 4.476 -5.030 1.00 0.00 C ATOM 400 ND1 HIS A 13 -8.154 4.295 -3.755 1.00 0.00 N ATOM 401 CD2 HIS A 13 -8.737 4.663 -5.843 1.00 0.00 C ATOM 402 CE1 HIS A 13 -9.496 4.375 -3.838 1.00 0.00 C ATOM 403 NE2 HIS A 13 -9.901 4.599 -5.089 1.00 0.00 N ATOM 0 H HIS A 13 -6.699 6.130 -3.669 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.460 5.769 -5.549 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.989 3.872 -6.245 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -5.654 3.874 -4.525 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.696 4.834 -6.909 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.163 4.271 -2.995 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -10.860 4.701 -5.421 1.00 0.00 H new ATOM 411 N ALA A 14 -5.428 7.666 -7.064 1.00 0.00 N ATOM 412 CA ALA A 14 -5.921 8.445 -8.242 1.00 0.00 C ATOM 413 C ALA A 14 -4.767 9.091 -9.037 1.00 0.00 C ATOM 414 O ALA A 14 -4.227 8.488 -9.946 1.00 0.00 O ATOM 415 CB ALA A 14 -6.840 9.510 -7.634 1.00 0.00 C ATOM 0 H ALA A 14 -4.588 8.034 -6.618 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.435 7.807 -8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.251 10.133 -8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.654 9.024 -7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.270 10.132 -6.944 1.00 0.00 H new ATOM 421 N SER A 15 -4.406 10.318 -8.728 1.00 0.00 N ATOM 422 CA SER A 15 -3.316 10.997 -9.503 1.00 0.00 C ATOM 423 C SER A 15 -1.974 10.970 -8.756 1.00 0.00 C ATOM 424 O SER A 15 -1.709 11.795 -7.901 1.00 0.00 O ATOM 425 CB SER A 15 -3.800 12.440 -9.680 1.00 0.00 C ATOM 426 OG SER A 15 -4.839 12.473 -10.654 1.00 0.00 O ATOM 0 H SER A 15 -4.817 10.874 -7.978 1.00 0.00 H new ATOM 0 HA SER A 15 -3.135 10.493 -10.452 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.164 12.833 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.973 13.077 -9.993 1.00 0.00 H new ATOM 0 HG SER A 15 -5.152 13.395 -10.768 1.00 0.00 H new ATOM 432 N LEU A 16 -1.119 10.038 -9.098 1.00 0.00 N ATOM 433 CA LEU A 16 0.228 9.952 -8.447 1.00 0.00 C ATOM 434 C LEU A 16 1.249 9.417 -9.463 1.00 0.00 C ATOM 435 O LEU A 16 0.988 9.388 -10.655 1.00 0.00 O ATOM 436 CB LEU A 16 0.047 8.974 -7.269 1.00 0.00 C ATOM 437 CG LEU A 16 0.195 7.513 -7.744 1.00 0.00 C ATOM 438 CD1 LEU A 16 1.104 6.739 -6.778 1.00 0.00 C ATOM 439 CD2 LEU A 16 -1.186 6.847 -7.788 1.00 0.00 C ATOM 0 H LEU A 16 -1.297 9.326 -9.807 1.00 0.00 H new ATOM 0 HA LEU A 16 0.595 10.918 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.786 9.187 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.935 9.117 -6.819 1.00 0.00 H new ATOM 0 HG LEU A 16 0.638 7.504 -8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.204 5.709 -7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.087 7.209 -6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.667 6.750 -5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.082 5.815 -8.123 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.629 6.862 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.830 7.390 -8.480 1.00 0.00 H new ATOM 451 N THR A 17 2.388 8.959 -9.010 1.00 0.00 N ATOM 452 CA THR A 17 3.386 8.385 -9.956 1.00 0.00 C ATOM 453 C THR A 17 3.055 6.910 -10.188 1.00 0.00 C ATOM 454 O THR A 17 2.741 6.184 -9.265 1.00 0.00 O ATOM 455 CB THR A 17 4.764 8.501 -9.286 1.00 0.00 C ATOM 456 OG1 THR A 17 4.627 8.920 -7.927 1.00 0.00 O ATOM 457 CG2 THR A 17 5.617 9.518 -10.045 1.00 0.00 C ATOM 0 H THR A 17 2.668 8.958 -8.029 1.00 0.00 H new ATOM 0 HA THR A 17 3.375 8.909 -10.912 1.00 0.00 H new ATOM 0 HB THR A 17 5.245 7.523 -9.307 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.513 8.987 -7.514 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.594 9.600 -9.570 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.742 9.190 -11.077 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.124 10.490 -10.030 1.00 0.00 H new ATOM 465 N ARG A 18 3.139 6.463 -11.408 1.00 0.00 N ATOM 466 CA ARG A 18 2.857 5.027 -11.721 1.00 0.00 C ATOM 467 C ARG A 18 3.973 4.151 -11.114 1.00 0.00 C ATOM 468 O ARG A 18 4.400 4.374 -9.997 1.00 0.00 O ATOM 469 CB ARG A 18 2.798 4.917 -13.252 1.00 0.00 C ATOM 470 CG ARG A 18 1.767 5.906 -13.813 1.00 0.00 C ATOM 471 CD ARG A 18 2.460 6.916 -14.735 1.00 0.00 C ATOM 472 NE ARG A 18 1.593 8.135 -14.693 1.00 0.00 N ATOM 473 CZ ARG A 18 1.423 8.770 -13.573 1.00 0.00 C ATOM 474 NH1 ARG A 18 2.281 9.663 -13.195 1.00 0.00 N ATOM 475 NH2 ARG A 18 0.389 8.520 -12.838 1.00 0.00 N ATOM 0 H ARG A 18 3.394 7.034 -12.214 1.00 0.00 H new ATOM 0 HA ARG A 18 1.915 4.681 -11.296 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.780 5.123 -13.677 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.533 3.900 -13.541 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.996 5.367 -14.364 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.269 6.428 -12.996 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.470 7.138 -14.390 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.548 6.529 -15.750 1.00 0.00 H new ATOM 0 HE ARG A 18 1.136 8.467 -15.543 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.093 9.869 -13.777 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.145 10.160 -12.315 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.294 7.824 -13.138 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.256 9.019 -11.958 1.00 0.00 H new ATOM 489 N ALA A 19 4.435 3.146 -11.820 1.00 0.00 N ATOM 490 CA ALA A 19 5.513 2.250 -11.270 1.00 0.00 C ATOM 491 C ALA A 19 6.645 3.069 -10.607 1.00 0.00 C ATOM 492 O ALA A 19 7.371 2.561 -9.769 1.00 0.00 O ATOM 493 CB ALA A 19 6.044 1.491 -12.488 1.00 0.00 C ATOM 0 H ALA A 19 4.113 2.904 -12.757 1.00 0.00 H new ATOM 0 HA ALA A 19 5.129 1.586 -10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.837 0.812 -12.176 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.234 0.919 -12.942 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.439 2.201 -13.215 1.00 0.00 H new ATOM 499 N GLN A 20 6.774 4.337 -10.940 1.00 0.00 N ATOM 500 CA GLN A 20 7.818 5.189 -10.288 1.00 0.00 C ATOM 501 C GLN A 20 7.622 5.159 -8.764 1.00 0.00 C ATOM 502 O GLN A 20 8.552 4.941 -8.016 1.00 0.00 O ATOM 503 CB GLN A 20 7.569 6.611 -10.807 1.00 0.00 C ATOM 504 CG GLN A 20 7.879 6.690 -12.304 1.00 0.00 C ATOM 505 CD GLN A 20 6.580 6.780 -13.111 1.00 0.00 C ATOM 506 OE1 GLN A 20 5.553 7.186 -12.606 1.00 0.00 O ATOM 507 NE2 GLN A 20 6.583 6.420 -14.357 1.00 0.00 N ATOM 0 H GLN A 20 6.200 4.815 -11.635 1.00 0.00 H new ATOM 0 HA GLN A 20 8.827 4.843 -10.511 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.532 6.895 -10.628 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.192 7.319 -10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.503 7.560 -12.508 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.446 5.812 -12.612 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.442 6.078 -14.787 1.00 0.00 H new ATOM 0 HE22 GLN A 20 5.726 6.479 -14.907 1.00 0.00 H new ATOM 516 N ALA A 21 6.403 5.367 -8.313 1.00 0.00 N ATOM 517 CA ALA A 21 6.110 5.348 -6.840 1.00 0.00 C ATOM 518 C ALA A 21 6.395 3.963 -6.252 1.00 0.00 C ATOM 519 O ALA A 21 7.052 3.836 -5.234 1.00 0.00 O ATOM 520 CB ALA A 21 4.625 5.678 -6.734 1.00 0.00 C ATOM 0 H ALA A 21 5.594 5.550 -8.907 1.00 0.00 H new ATOM 0 HA ALA A 21 6.730 6.055 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.328 5.685 -5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.438 6.659 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.046 4.926 -7.271 1.00 0.00 H new ATOM 526 N GLU A 22 5.915 2.926 -6.891 1.00 0.00 N ATOM 527 CA GLU A 22 6.162 1.544 -6.377 1.00 0.00 C ATOM 528 C GLU A 22 7.669 1.290 -6.270 1.00 0.00 C ATOM 529 O GLU A 22 8.152 0.797 -5.268 1.00 0.00 O ATOM 530 CB GLU A 22 5.505 0.613 -7.397 1.00 0.00 C ATOM 531 CG GLU A 22 3.984 0.822 -7.359 1.00 0.00 C ATOM 532 CD GLU A 22 3.275 -0.526 -7.239 1.00 0.00 C ATOM 533 OE1 GLU A 22 3.102 -1.169 -8.259 1.00 0.00 O ATOM 534 OE2 GLU A 22 2.903 -0.882 -6.134 1.00 0.00 O ATOM 0 H GLU A 22 5.362 2.977 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 22 5.750 1.385 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.888 0.819 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.748 -0.425 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.717 1.459 -6.516 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.656 1.336 -8.263 1.00 0.00 H new ATOM 541 N HIS A 23 8.418 1.650 -7.280 1.00 0.00 N ATOM 542 CA HIS A 23 9.898 1.452 -7.220 1.00 0.00 C ATOM 543 C HIS A 23 10.531 2.442 -6.235 1.00 0.00 C ATOM 544 O HIS A 23 11.453 2.099 -5.518 1.00 0.00 O ATOM 545 CB HIS A 23 10.399 1.696 -8.641 1.00 0.00 C ATOM 546 CG HIS A 23 10.054 0.505 -9.485 1.00 0.00 C ATOM 547 ND1 HIS A 23 8.905 0.463 -10.245 1.00 0.00 N ATOM 548 CD2 HIS A 23 10.686 -0.696 -9.686 1.00 0.00 C ATOM 549 CE1 HIS A 23 8.875 -0.729 -10.869 1.00 0.00 C ATOM 550 NE2 HIS A 23 9.938 -1.475 -10.561 1.00 0.00 N ATOM 0 H HIS A 23 8.071 2.071 -8.142 1.00 0.00 H new ATOM 0 HA HIS A 23 10.163 0.454 -6.870 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.942 2.596 -9.053 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.477 1.858 -8.639 1.00 0.00 H new ATOM 0 HD1 HIS A 23 8.205 1.201 -10.321 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.621 -0.991 -9.234 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.087 -1.043 -11.537 1.00 0.00 H new ATOM 558 N MET A 24 10.039 3.663 -6.172 1.00 0.00 N ATOM 559 CA MET A 24 10.628 4.642 -5.206 1.00 0.00 C ATOM 560 C MET A 24 10.379 4.152 -3.777 1.00 0.00 C ATOM 561 O MET A 24 11.266 4.161 -2.947 1.00 0.00 O ATOM 562 CB MET A 24 9.931 5.995 -5.492 1.00 0.00 C ATOM 563 CG MET A 24 9.010 6.427 -4.333 1.00 0.00 C ATOM 564 SD MET A 24 8.604 8.181 -4.524 1.00 0.00 S ATOM 565 CE MET A 24 7.125 8.187 -3.482 1.00 0.00 C ATOM 0 H MET A 24 9.268 4.015 -6.739 1.00 0.00 H new ATOM 0 HA MET A 24 11.707 4.750 -5.316 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.686 6.763 -5.661 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.347 5.915 -6.409 1.00 0.00 H new ATOM 0 HG2 MET A 24 8.099 5.828 -4.332 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.504 6.257 -3.376 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.341 8.770 -3.966 1.00 0.00 H new ATOM 0 HE2 MET A 24 6.779 7.164 -3.336 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.363 8.631 -2.515 1.00 0.00 H new ATOM 575 N LEU A 25 9.183 3.715 -3.488 1.00 0.00 N ATOM 576 CA LEU A 25 8.887 3.227 -2.114 1.00 0.00 C ATOM 577 C LEU A 25 9.546 1.873 -1.857 1.00 0.00 C ATOM 578 O LEU A 25 10.036 1.624 -0.778 1.00 0.00 O ATOM 579 CB LEU A 25 7.373 3.146 -2.039 1.00 0.00 C ATOM 580 CG LEU A 25 6.768 4.551 -1.915 1.00 0.00 C ATOM 581 CD1 LEU A 25 5.511 4.450 -1.075 1.00 0.00 C ATOM 582 CD2 LEU A 25 7.732 5.525 -1.222 1.00 0.00 C ATOM 0 H LEU A 25 8.402 3.675 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 25 9.286 3.891 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.984 2.653 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.077 2.539 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 25 6.560 4.928 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.062 5.438 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.803 3.778 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.763 4.062 -0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.268 6.509 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.960 5.160 -0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.653 5.598 -1.800 1.00 0.00 H new ATOM 594 N MET A 26 9.604 1.000 -2.822 1.00 0.00 N ATOM 595 CA MET A 26 10.296 -0.292 -2.567 1.00 0.00 C ATOM 596 C MET A 26 11.780 0.002 -2.284 1.00 0.00 C ATOM 597 O MET A 26 12.399 -0.618 -1.441 1.00 0.00 O ATOM 598 CB MET A 26 10.136 -1.106 -3.855 1.00 0.00 C ATOM 599 CG MET A 26 10.680 -2.519 -3.638 1.00 0.00 C ATOM 600 SD MET A 26 11.542 -3.071 -5.129 1.00 0.00 S ATOM 601 CE MET A 26 11.958 -4.731 -4.543 1.00 0.00 C ATOM 0 H MET A 26 9.212 1.120 -3.756 1.00 0.00 H new ATOM 0 HA MET A 26 9.890 -0.836 -1.714 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.085 -1.150 -4.142 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.670 -0.621 -4.673 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.360 -2.531 -2.787 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.864 -3.202 -3.403 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.506 -5.264 -5.320 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.576 -4.657 -3.649 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.043 -5.274 -4.307 1.00 0.00 H new ATOM 611 N ARG A 27 12.346 0.947 -3.004 1.00 0.00 N ATOM 612 CA ARG A 27 13.788 1.298 -2.816 1.00 0.00 C ATOM 613 C ARG A 27 14.051 2.286 -1.651 1.00 0.00 C ATOM 614 O ARG A 27 15.191 2.419 -1.230 1.00 0.00 O ATOM 615 CB ARG A 27 14.232 1.893 -4.164 1.00 0.00 C ATOM 616 CG ARG A 27 14.072 3.421 -4.165 1.00 0.00 C ATOM 617 CD ARG A 27 15.397 4.085 -3.759 1.00 0.00 C ATOM 618 NE ARG A 27 15.017 5.092 -2.720 1.00 0.00 N ATOM 619 CZ ARG A 27 15.893 5.509 -1.850 1.00 0.00 C ATOM 620 NH1 ARG A 27 16.386 4.688 -0.978 1.00 0.00 N ATOM 621 NH2 ARG A 27 16.260 6.751 -1.852 1.00 0.00 N ATOM 0 H ARG A 27 11.864 1.492 -3.718 1.00 0.00 H new ATOM 0 HA ARG A 27 14.356 0.411 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.272 1.632 -4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.640 1.460 -4.970 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.772 3.763 -5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.282 3.713 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.101 3.353 -3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.879 4.560 -4.613 1.00 0.00 H new ATOM 0 HE ARG A 27 14.064 5.455 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.089 3.712 -0.971 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.072 5.017 -0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.864 7.399 -2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.945 7.081 -1.173 1.00 0.00 H new ATOM 635 N VAL A 28 13.066 3.028 -1.149 1.00 0.00 N ATOM 636 CA VAL A 28 13.401 4.011 -0.045 1.00 0.00 C ATOM 637 C VAL A 28 14.224 3.348 1.089 1.00 0.00 C ATOM 638 O VAL A 28 14.253 2.139 1.230 1.00 0.00 O ATOM 639 CB VAL A 28 12.083 4.595 0.474 1.00 0.00 C ATOM 640 CG1 VAL A 28 11.512 5.551 -0.577 1.00 0.00 C ATOM 641 CG2 VAL A 28 11.080 3.487 0.748 1.00 0.00 C ATOM 0 H VAL A 28 12.089 2.998 -1.441 1.00 0.00 H new ATOM 0 HA VAL A 28 14.032 4.808 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 28 12.273 5.130 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.574 5.971 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.223 6.356 -0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.332 5.007 -1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.150 3.921 1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.885 2.937 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.485 2.807 1.498 1.00 0.00 H new ATOM 651 N PRO A 29 14.912 4.187 1.824 1.00 0.00 N ATOM 652 CA PRO A 29 15.835 3.731 2.921 1.00 0.00 C ATOM 653 C PRO A 29 15.168 3.030 4.126 1.00 0.00 C ATOM 654 O PRO A 29 15.484 1.897 4.426 1.00 0.00 O ATOM 655 CB PRO A 29 16.492 5.033 3.376 1.00 0.00 C ATOM 656 CG PRO A 29 15.524 6.106 2.984 1.00 0.00 C ATOM 657 CD PRO A 29 14.890 5.651 1.710 1.00 0.00 C ATOM 0 HA PRO A 29 16.508 2.963 2.540 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.668 5.033 4.452 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.459 5.177 2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.774 6.256 3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.034 7.059 2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.873 6.031 1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.447 5.995 0.839 1.00 0.00 H new ATOM 665 N ARG A 30 14.329 3.715 4.863 1.00 0.00 N ATOM 666 CA ARG A 30 13.729 3.112 6.109 1.00 0.00 C ATOM 667 C ARG A 30 12.743 1.951 5.835 1.00 0.00 C ATOM 668 O ARG A 30 13.055 0.999 5.145 1.00 0.00 O ATOM 669 CB ARG A 30 13.020 4.291 6.798 1.00 0.00 C ATOM 670 CG ARG A 30 14.042 5.353 7.206 1.00 0.00 C ATOM 671 CD ARG A 30 14.529 5.074 8.633 1.00 0.00 C ATOM 672 NE ARG A 30 16.014 5.140 8.544 1.00 0.00 N ATOM 673 CZ ARG A 30 16.632 6.243 8.821 1.00 0.00 C ATOM 674 NH1 ARG A 30 16.806 7.116 7.894 1.00 0.00 N ATOM 675 NH2 ARG A 30 17.091 6.458 10.011 1.00 0.00 N ATOM 0 H ARG A 30 14.029 4.669 4.661 1.00 0.00 H new ATOM 0 HA ARG A 30 14.503 2.652 6.723 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.282 4.726 6.124 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.480 3.938 7.677 1.00 0.00 H new ATOM 0 HG2 ARG A 30 14.885 5.346 6.515 1.00 0.00 H new ATOM 0 HG3 ARG A 30 13.593 6.345 7.151 1.00 0.00 H new ATOM 0 HD2 ARG A 30 14.141 5.812 9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 30 14.196 4.096 8.981 1.00 0.00 H new ATOM 0 HE ARG A 30 16.545 4.315 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 30 16.459 6.936 6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 30 17.292 7.989 8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.967 5.755 10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.577 7.330 10.220 1.00 0.00 H new ATOM 689 N ASP A 31 11.566 2.016 6.415 1.00 0.00 N ATOM 690 CA ASP A 31 10.550 0.938 6.246 1.00 0.00 C ATOM 691 C ASP A 31 9.176 1.564 5.974 1.00 0.00 C ATOM 692 O ASP A 31 9.023 2.773 5.970 1.00 0.00 O ATOM 693 CB ASP A 31 10.543 0.197 7.587 1.00 0.00 C ATOM 694 CG ASP A 31 11.609 -0.900 7.597 1.00 0.00 C ATOM 695 OD1 ASP A 31 11.664 -1.660 6.645 1.00 0.00 O ATOM 696 OD2 ASP A 31 12.338 -0.976 8.575 1.00 0.00 O ATOM 0 H ASP A 31 11.266 2.789 7.009 1.00 0.00 H new ATOM 0 HA ASP A 31 10.775 0.273 5.412 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.728 0.900 8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.560 -0.241 7.763 1.00 0.00 H new ATOM 701 N GLY A 32 8.183 0.757 5.724 1.00 0.00 N ATOM 702 CA GLY A 32 6.825 1.304 5.443 1.00 0.00 C ATOM 703 C GLY A 32 6.666 1.479 3.943 1.00 0.00 C ATOM 704 O GLY A 32 6.303 0.552 3.250 1.00 0.00 O ATOM 0 H GLY A 32 8.253 -0.260 5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.060 0.629 5.827 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.691 2.259 5.950 1.00 0.00 H new ATOM 708 N ALA A 33 6.947 2.654 3.434 1.00 0.00 N ATOM 709 CA ALA A 33 6.820 2.889 1.961 1.00 0.00 C ATOM 710 C ALA A 33 5.511 2.288 1.434 1.00 0.00 C ATOM 711 O ALA A 33 5.500 1.273 0.763 1.00 0.00 O ATOM 712 CB ALA A 33 8.028 2.183 1.349 1.00 0.00 C ATOM 0 H ALA A 33 7.259 3.461 3.975 1.00 0.00 H new ATOM 0 HA ALA A 33 6.797 3.949 1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.012 2.307 0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.944 2.616 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.991 1.121 1.594 1.00 0.00 H new ATOM 718 N PHE A 34 4.414 2.921 1.729 1.00 0.00 N ATOM 719 CA PHE A 34 3.094 2.413 1.246 1.00 0.00 C ATOM 720 C PHE A 34 2.537 3.385 0.211 1.00 0.00 C ATOM 721 O PHE A 34 2.583 4.586 0.396 1.00 0.00 O ATOM 722 CB PHE A 34 2.139 2.323 2.462 1.00 0.00 C ATOM 723 CG PHE A 34 2.803 2.804 3.736 1.00 0.00 C ATOM 724 CD1 PHE A 34 2.933 4.175 3.983 1.00 0.00 C ATOM 725 CD2 PHE A 34 3.287 1.876 4.664 1.00 0.00 C ATOM 726 CE1 PHE A 34 3.550 4.618 5.155 1.00 0.00 C ATOM 727 CE2 PHE A 34 3.904 2.320 5.838 1.00 0.00 C ATOM 728 CZ PHE A 34 4.037 3.690 6.084 1.00 0.00 C ATOM 0 H PHE A 34 4.370 3.774 2.287 1.00 0.00 H new ATOM 0 HA PHE A 34 3.199 1.430 0.787 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.248 2.920 2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.810 1.292 2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.556 4.891 3.267 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.184 0.818 4.474 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.652 5.676 5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.278 1.604 6.555 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.515 4.032 6.990 1.00 0.00 H new ATOM 738 N LEU A 35 2.017 2.889 -0.879 1.00 0.00 N ATOM 739 CA LEU A 35 1.463 3.812 -1.916 1.00 0.00 C ATOM 740 C LEU A 35 0.713 3.019 -2.988 1.00 0.00 C ATOM 741 O LEU A 35 1.238 2.103 -3.588 1.00 0.00 O ATOM 742 CB LEU A 35 2.695 4.530 -2.496 1.00 0.00 C ATOM 743 CG LEU A 35 2.295 5.474 -3.639 1.00 0.00 C ATOM 744 CD1 LEU A 35 1.209 6.444 -3.168 1.00 0.00 C ATOM 745 CD2 LEU A 35 3.520 6.283 -4.074 1.00 0.00 C ATOM 0 H LEU A 35 1.951 1.895 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 35 0.742 4.521 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.194 5.096 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.411 3.794 -2.861 1.00 0.00 H new ATOM 0 HG LEU A 35 1.915 4.881 -4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.934 7.108 -3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.332 5.881 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.586 7.035 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.242 6.955 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.890 6.866 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.301 5.604 -4.416 1.00 0.00 H new ATOM 757 N VAL A 36 -0.513 3.377 -3.234 1.00 0.00 N ATOM 758 CA VAL A 36 -1.311 2.657 -4.271 1.00 0.00 C ATOM 759 C VAL A 36 -1.223 3.415 -5.597 1.00 0.00 C ATOM 760 O VAL A 36 -1.176 4.629 -5.619 1.00 0.00 O ATOM 761 CB VAL A 36 -2.756 2.627 -3.749 1.00 0.00 C ATOM 762 CG1 VAL A 36 -2.793 1.998 -2.353 1.00 0.00 C ATOM 763 CG2 VAL A 36 -3.315 4.051 -3.681 1.00 0.00 C ATOM 0 H VAL A 36 -1.002 4.138 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.943 1.646 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.365 2.032 -4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.820 1.980 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.408 0.980 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.177 2.586 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.340 4.022 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.702 4.651 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.302 4.495 -4.676 1.00 0.00 H new ATOM 773 N ARG A 37 -1.185 2.715 -6.694 1.00 0.00 N ATOM 774 CA ARG A 37 -1.080 3.405 -8.014 1.00 0.00 C ATOM 775 C ARG A 37 -1.860 2.640 -9.092 1.00 0.00 C ATOM 776 O ARG A 37 -2.195 1.481 -8.935 1.00 0.00 O ATOM 777 CB ARG A 37 0.434 3.464 -8.303 1.00 0.00 C ATOM 778 CG ARG A 37 0.750 3.149 -9.774 1.00 0.00 C ATOM 779 CD ARG A 37 0.795 1.632 -9.983 1.00 0.00 C ATOM 780 NE ARG A 37 2.189 1.348 -10.436 1.00 0.00 N ATOM 781 CZ ARG A 37 2.436 0.353 -11.232 1.00 0.00 C ATOM 782 NH1 ARG A 37 2.159 0.449 -12.497 1.00 0.00 N ATOM 783 NH2 ARG A 37 2.953 -0.730 -10.752 1.00 0.00 N ATOM 0 H ARG A 37 -1.222 1.697 -6.737 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.516 4.404 -8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.812 4.456 -8.055 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.954 2.754 -7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.007 3.592 -10.421 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.706 3.592 -10.053 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.563 1.099 -9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.065 1.314 -10.727 1.00 0.00 H new ATOM 0 HE ARG A 37 2.955 1.942 -10.117 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.747 1.306 -12.865 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.353 -0.333 -13.122 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.163 -0.797 -9.756 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.151 -1.518 -11.369 1.00 0.00 H new ATOM 797 N LYS A 38 -2.156 3.292 -10.183 1.00 0.00 N ATOM 798 CA LYS A 38 -2.923 2.629 -11.273 1.00 0.00 C ATOM 799 C LYS A 38 -1.984 1.793 -12.152 1.00 0.00 C ATOM 800 O LYS A 38 -0.944 2.260 -12.581 1.00 0.00 O ATOM 801 CB LYS A 38 -3.519 3.795 -12.068 1.00 0.00 C ATOM 802 CG LYS A 38 -4.952 3.464 -12.499 1.00 0.00 C ATOM 803 CD LYS A 38 -4.938 2.316 -13.516 1.00 0.00 C ATOM 804 CE LYS A 38 -5.587 1.075 -12.894 1.00 0.00 C ATOM 805 NZ LYS A 38 -5.259 -0.053 -13.820 1.00 0.00 N ATOM 0 H LYS A 38 -1.897 4.262 -10.366 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.686 1.945 -10.901 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.514 4.699 -11.460 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.905 3.998 -12.946 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.547 3.184 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.422 4.344 -12.937 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.477 2.608 -14.418 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.914 2.093 -13.815 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.197 0.888 -11.894 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.665 1.203 -12.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.014 -0.898 -13.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.083 -0.260 -14.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.452 0.213 -14.419 1.00 0.00 H new ATOM 819 N ARG A 39 -2.343 0.562 -12.428 1.00 0.00 N ATOM 820 CA ARG A 39 -1.475 -0.295 -13.288 1.00 0.00 C ATOM 821 C ARG A 39 -2.011 -0.317 -14.725 1.00 0.00 C ATOM 822 O ARG A 39 -3.164 0.000 -14.977 1.00 0.00 O ATOM 823 CB ARG A 39 -1.522 -1.691 -12.666 1.00 0.00 C ATOM 824 CG ARG A 39 -0.180 -2.382 -12.913 1.00 0.00 C ATOM 825 CD ARG A 39 -0.148 -3.744 -12.220 1.00 0.00 C ATOM 826 NE ARG A 39 -0.931 -4.658 -13.105 1.00 0.00 N ATOM 827 CZ ARG A 39 -0.328 -5.447 -13.950 1.00 0.00 C ATOM 828 NH1 ARG A 39 0.452 -4.966 -14.868 1.00 0.00 N ATOM 829 NH2 ARG A 39 -0.528 -6.727 -13.888 1.00 0.00 N ATOM 0 H ARG A 39 -3.198 0.117 -12.095 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.453 0.080 -13.337 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.720 -1.622 -11.596 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.333 -2.273 -13.104 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.020 -2.508 -13.984 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.632 -1.758 -12.540 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.875 -4.098 -12.097 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.588 -3.689 -11.224 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.949 -4.665 -13.048 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.600 -3.959 -14.935 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.917 -5.595 -15.523 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.154 -7.112 -13.181 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.059 -7.349 -14.546 1.00 0.00 H new ATOM 843 N ASN A 40 -1.179 -0.666 -15.664 1.00 0.00 N ATOM 844 CA ASN A 40 -1.601 -0.701 -17.097 1.00 0.00 C ATOM 845 C ASN A 40 -2.620 -1.828 -17.360 1.00 0.00 C ATOM 846 O ASN A 40 -3.537 -1.669 -18.145 1.00 0.00 O ATOM 847 CB ASN A 40 -0.311 -0.945 -17.885 1.00 0.00 C ATOM 848 CG ASN A 40 -0.501 -0.498 -19.332 1.00 0.00 C ATOM 849 OD1 ASN A 40 -0.578 0.679 -19.612 1.00 0.00 O ATOM 850 ND2 ASN A 40 -0.577 -1.392 -20.274 1.00 0.00 N ATOM 0 H ASN A 40 -0.208 -0.933 -15.500 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.097 0.225 -17.389 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.514 -0.397 -17.430 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.048 -2.002 -17.852 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.701 -1.102 -21.244 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.513 -2.383 -20.043 1.00 0.00 H new ATOM 857 N GLU A 41 -2.461 -2.963 -16.713 1.00 0.00 N ATOM 858 CA GLU A 41 -3.418 -4.104 -16.927 1.00 0.00 C ATOM 859 C GLU A 41 -4.852 -3.668 -16.540 1.00 0.00 C ATOM 860 O GLU A 41 -5.036 -2.913 -15.599 1.00 0.00 O ATOM 861 CB GLU A 41 -2.883 -5.240 -16.007 1.00 0.00 C ATOM 862 CG GLU A 41 -3.818 -6.467 -15.993 1.00 0.00 C ATOM 863 CD GLU A 41 -3.185 -7.559 -15.123 1.00 0.00 C ATOM 864 OE1 GLU A 41 -3.329 -7.487 -13.908 1.00 0.00 O ATOM 865 OE2 GLU A 41 -2.554 -8.439 -15.678 1.00 0.00 O ATOM 0 H GLU A 41 -1.711 -3.149 -16.047 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.474 -4.432 -17.965 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.893 -5.544 -16.346 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.770 -4.860 -14.992 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.797 -6.191 -15.600 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.973 -6.835 -17.007 1.00 0.00 H new ATOM 872 N PRO A 42 -5.832 -4.148 -17.277 1.00 0.00 N ATOM 873 CA PRO A 42 -7.246 -3.787 -16.980 1.00 0.00 C ATOM 874 C PRO A 42 -7.658 -4.411 -15.644 1.00 0.00 C ATOM 875 O PRO A 42 -7.217 -5.494 -15.305 1.00 0.00 O ATOM 876 CB PRO A 42 -8.025 -4.378 -18.155 1.00 0.00 C ATOM 877 CG PRO A 42 -7.157 -5.479 -18.672 1.00 0.00 C ATOM 878 CD PRO A 42 -5.731 -5.058 -18.427 1.00 0.00 C ATOM 0 HA PRO A 42 -7.422 -2.716 -16.881 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.996 -4.756 -17.836 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.212 -3.628 -18.923 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.377 -6.417 -18.162 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -7.334 -5.645 -19.735 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.093 -5.914 -18.206 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.305 -4.559 -19.297 1.00 0.00 H new ATOM 886 N ASN A 43 -8.467 -3.725 -14.860 1.00 0.00 N ATOM 887 CA ASN A 43 -8.860 -4.278 -13.516 1.00 0.00 C ATOM 888 C ASN A 43 -7.593 -4.499 -12.682 1.00 0.00 C ATOM 889 O ASN A 43 -7.549 -5.342 -11.815 1.00 0.00 O ATOM 890 CB ASN A 43 -9.510 -5.636 -13.804 1.00 0.00 C ATOM 891 CG ASN A 43 -10.654 -5.483 -14.809 1.00 0.00 C ATOM 892 OD1 ASN A 43 -11.523 -4.659 -14.636 1.00 0.00 O ATOM 893 ND2 ASN A 43 -10.689 -6.249 -15.861 1.00 0.00 N ATOM 0 H ASN A 43 -8.868 -2.816 -15.090 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.529 -3.609 -12.975 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.764 -6.327 -14.197 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.888 -6.068 -12.877 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.447 -6.154 -16.536 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.958 -6.945 -16.010 1.00 0.00 H new ATOM 900 N SER A 44 -6.543 -3.790 -12.991 1.00 0.00 N ATOM 901 CA SER A 44 -5.254 -4.008 -12.286 1.00 0.00 C ATOM 902 C SER A 44 -4.683 -2.716 -11.695 1.00 0.00 C ATOM 903 O SER A 44 -4.360 -1.782 -12.405 1.00 0.00 O ATOM 904 CB SER A 44 -4.381 -4.532 -13.415 1.00 0.00 C ATOM 905 OG SER A 44 -3.233 -5.183 -12.893 1.00 0.00 O ATOM 0 H SER A 44 -6.525 -3.064 -13.707 1.00 0.00 H new ATOM 0 HA SER A 44 -5.336 -4.675 -11.428 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.951 -5.226 -14.032 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.077 -3.708 -14.061 1.00 0.00 H new ATOM 0 HG SER A 44 -3.311 -6.149 -13.036 1.00 0.00 H new ATOM 911 N TYR A 45 -4.559 -2.673 -10.398 1.00 0.00 N ATOM 912 CA TYR A 45 -3.993 -1.472 -9.704 1.00 0.00 C ATOM 913 C TYR A 45 -2.587 -1.811 -9.156 1.00 0.00 C ATOM 914 O TYR A 45 -1.863 -2.572 -9.761 1.00 0.00 O ATOM 915 CB TYR A 45 -4.990 -1.173 -8.574 1.00 0.00 C ATOM 916 CG TYR A 45 -5.254 0.305 -8.543 1.00 0.00 C ATOM 917 CD1 TYR A 45 -6.081 0.882 -9.509 1.00 0.00 C ATOM 918 CD2 TYR A 45 -4.654 1.102 -7.567 1.00 0.00 C ATOM 919 CE1 TYR A 45 -6.309 2.258 -9.499 1.00 0.00 C ATOM 920 CE2 TYR A 45 -4.875 2.478 -7.562 1.00 0.00 C ATOM 921 CZ TYR A 45 -5.703 3.057 -8.528 1.00 0.00 C ATOM 922 OH TYR A 45 -5.903 4.417 -8.534 1.00 0.00 O ATOM 0 H TYR A 45 -4.830 -3.433 -9.774 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.870 -0.609 -10.358 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.919 -1.719 -8.736 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.587 -1.505 -7.617 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.544 0.263 -10.263 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.020 0.653 -6.817 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.954 2.705 -10.242 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.406 3.097 -6.811 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.727 4.629 -8.048 1.00 0.00 H new ATOM 932 N ALA A 46 -2.185 -1.259 -8.034 1.00 0.00 N ATOM 933 CA ALA A 46 -0.829 -1.586 -7.477 1.00 0.00 C ATOM 934 C ALA A 46 -0.644 -0.938 -6.096 1.00 0.00 C ATOM 935 O ALA A 46 -0.716 0.269 -5.965 1.00 0.00 O ATOM 936 CB ALA A 46 0.158 -1.024 -8.499 1.00 0.00 C ATOM 0 H ALA A 46 -2.733 -0.600 -7.482 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.684 -2.656 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.177 -1.221 -8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.008 -1.501 -9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.009 0.052 -8.595 1.00 0.00 H new ATOM 942 N ILE A 47 -0.397 -1.730 -5.072 1.00 0.00 N ATOM 943 CA ILE A 47 -0.196 -1.163 -3.692 1.00 0.00 C ATOM 944 C ILE A 47 1.278 -1.277 -3.285 1.00 0.00 C ATOM 945 O ILE A 47 1.737 -2.335 -2.894 1.00 0.00 O ATOM 946 CB ILE A 47 -1.054 -2.016 -2.739 1.00 0.00 C ATOM 947 CG1 ILE A 47 -2.550 -1.732 -2.958 1.00 0.00 C ATOM 948 CG2 ILE A 47 -0.683 -1.672 -1.289 1.00 0.00 C ATOM 949 CD1 ILE A 47 -3.384 -2.633 -2.045 1.00 0.00 C ATOM 0 H ILE A 47 -0.326 -2.746 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.479 -0.111 -3.658 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.864 -3.070 -2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.766 -0.685 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.815 -1.909 -4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.286 -2.272 -0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.373 -1.886 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.872 -0.614 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.443 -2.430 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.177 -3.678 -2.277 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.127 -2.434 -1.005 1.00 0.00 H new ATOM 961 N SER A 48 2.015 -0.202 -3.356 1.00 0.00 N ATOM 962 CA SER A 48 3.458 -0.246 -2.958 1.00 0.00 C ATOM 963 C SER A 48 3.587 -0.459 -1.442 1.00 0.00 C ATOM 964 O SER A 48 2.926 0.197 -0.657 1.00 0.00 O ATOM 965 CB SER A 48 4.019 1.119 -3.353 1.00 0.00 C ATOM 966 OG SER A 48 5.367 1.217 -2.913 1.00 0.00 O ATOM 0 H SER A 48 1.682 0.709 -3.673 1.00 0.00 H new ATOM 0 HA SER A 48 3.993 -1.064 -3.440 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.967 1.248 -4.434 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.420 1.914 -2.908 1.00 0.00 H new ATOM 0 HG SER A 48 5.900 0.508 -3.331 1.00 0.00 H new ATOM 972 N PHE A 49 4.420 -1.383 -1.030 1.00 0.00 N ATOM 973 CA PHE A 49 4.600 -1.648 0.430 1.00 0.00 C ATOM 974 C PHE A 49 6.027 -2.153 0.712 1.00 0.00 C ATOM 975 O PHE A 49 6.472 -3.116 0.114 1.00 0.00 O ATOM 976 CB PHE A 49 3.561 -2.727 0.756 1.00 0.00 C ATOM 977 CG PHE A 49 2.834 -2.371 2.031 1.00 0.00 C ATOM 978 CD1 PHE A 49 3.392 -2.718 3.265 1.00 0.00 C ATOM 979 CD2 PHE A 49 1.602 -1.700 1.982 1.00 0.00 C ATOM 980 CE1 PHE A 49 2.725 -2.397 4.451 1.00 0.00 C ATOM 981 CE2 PHE A 49 0.935 -1.379 3.170 1.00 0.00 C ATOM 982 CZ PHE A 49 1.497 -1.727 4.404 1.00 0.00 C ATOM 0 H PHE A 49 4.985 -1.967 -1.646 1.00 0.00 H new ATOM 0 HA PHE A 49 4.465 -0.753 1.038 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.850 -2.819 -0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.050 -3.695 0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.340 -3.235 3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.170 -1.432 1.029 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.157 -2.666 5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.013 -0.863 3.135 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.983 -1.478 5.320 1.00 0.00 H new ATOM 992 N ARG A 50 6.746 -1.534 1.621 1.00 0.00 N ATOM 993 CA ARG A 50 8.132 -2.021 1.936 1.00 0.00 C ATOM 994 C ARG A 50 8.220 -2.364 3.428 1.00 0.00 C ATOM 995 O ARG A 50 8.085 -1.499 4.276 1.00 0.00 O ATOM 996 CB ARG A 50 9.075 -0.862 1.597 1.00 0.00 C ATOM 997 CG ARG A 50 10.516 -1.377 1.545 1.00 0.00 C ATOM 998 CD ARG A 50 11.492 -0.196 1.533 1.00 0.00 C ATOM 999 NE ARG A 50 11.466 0.342 2.921 1.00 0.00 N ATOM 1000 CZ ARG A 50 11.338 1.612 3.118 1.00 0.00 C ATOM 1001 NH1 ARG A 50 12.368 2.379 3.025 1.00 0.00 N ATOM 1002 NH2 ARG A 50 10.178 2.108 3.392 1.00 0.00 N ATOM 0 H ARG A 50 6.438 -0.721 2.154 1.00 0.00 H new ATOM 0 HA ARG A 50 8.393 -2.915 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.799 -0.423 0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.985 -0.075 2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.715 -2.015 2.406 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.661 -1.989 0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 50 12.495 -0.517 1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 50 11.186 0.561 0.811 1.00 0.00 H new ATOM 0 HE ARG A 50 11.549 -0.292 3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 50 13.280 1.983 2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.272 3.383 3.180 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.364 1.497 3.453 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.076 3.111 3.548 1.00 0.00 H new ATOM 1016 N ALA A 51 8.430 -3.611 3.760 1.00 0.00 N ATOM 1017 CA ALA A 51 8.498 -3.985 5.200 1.00 0.00 C ATOM 1018 C ALA A 51 9.891 -4.479 5.609 1.00 0.00 C ATOM 1019 O ALA A 51 10.732 -4.801 4.790 1.00 0.00 O ATOM 1020 CB ALA A 51 7.474 -5.104 5.354 1.00 0.00 C ATOM 0 H ALA A 51 8.556 -4.379 3.101 1.00 0.00 H new ATOM 0 HA ALA A 51 8.294 -3.126 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.457 -5.442 6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.487 -4.734 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.745 -5.937 4.705 1.00 0.00 H new ATOM 1026 N GLU A 52 10.122 -4.535 6.891 1.00 0.00 N ATOM 1027 CA GLU A 52 11.437 -5.001 7.420 1.00 0.00 C ATOM 1028 C GLU A 52 11.677 -6.487 7.086 1.00 0.00 C ATOM 1029 O GLU A 52 10.935 -7.356 7.499 1.00 0.00 O ATOM 1030 CB GLU A 52 11.352 -4.781 8.941 1.00 0.00 C ATOM 1031 CG GLU A 52 10.084 -5.444 9.536 1.00 0.00 C ATOM 1032 CD GLU A 52 9.820 -4.902 10.941 1.00 0.00 C ATOM 1033 OE1 GLU A 52 10.185 -3.765 11.206 1.00 0.00 O ATOM 1034 OE2 GLU A 52 9.247 -5.631 11.729 1.00 0.00 O ATOM 0 H GLU A 52 9.444 -4.273 7.607 1.00 0.00 H new ATOM 0 HA GLU A 52 12.271 -4.458 6.975 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.240 -5.194 9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.341 -3.712 9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.225 -5.247 8.894 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.213 -6.526 9.573 1.00 0.00 H new ATOM 1041 N GLY A 53 12.718 -6.778 6.341 1.00 0.00 N ATOM 1042 CA GLY A 53 13.026 -8.203 5.979 1.00 0.00 C ATOM 1043 C GLY A 53 11.987 -8.775 5.000 1.00 0.00 C ATOM 1044 O GLY A 53 11.919 -9.974 4.808 1.00 0.00 O ATOM 0 H GLY A 53 13.370 -6.089 5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 53 14.018 -8.259 5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 53 13.049 -8.812 6.883 1.00 0.00 H new ATOM 1048 N LYS A 54 11.182 -7.949 4.375 1.00 0.00 N ATOM 1049 CA LYS A 54 10.165 -8.482 3.412 1.00 0.00 C ATOM 1050 C LYS A 54 9.606 -7.342 2.543 1.00 0.00 C ATOM 1051 O LYS A 54 9.208 -6.307 3.040 1.00 0.00 O ATOM 1052 CB LYS A 54 9.069 -9.110 4.287 1.00 0.00 C ATOM 1053 CG LYS A 54 8.585 -10.418 3.646 1.00 0.00 C ATOM 1054 CD LYS A 54 7.257 -10.851 4.282 1.00 0.00 C ATOM 1055 CE LYS A 54 6.132 -10.778 3.245 1.00 0.00 C ATOM 1056 NZ LYS A 54 5.503 -9.446 3.465 1.00 0.00 N ATOM 0 H LYS A 54 11.184 -6.935 4.488 1.00 0.00 H new ATOM 0 HA LYS A 54 10.588 -9.214 2.724 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.455 -9.305 5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.235 -8.417 4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.457 -10.281 2.572 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.334 -11.198 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.343 -11.867 4.667 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.023 -10.207 5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.521 -10.870 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.412 -11.584 3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.777 -9.281 2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.063 -9.421 4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.230 -8.704 3.403 1.00 0.00 H new ATOM 1070 N ILE A 55 9.593 -7.523 1.243 1.00 0.00 N ATOM 1071 CA ILE A 55 9.076 -6.452 0.331 1.00 0.00 C ATOM 1072 C ILE A 55 8.334 -7.072 -0.864 1.00 0.00 C ATOM 1073 O ILE A 55 8.873 -7.903 -1.574 1.00 0.00 O ATOM 1074 CB ILE A 55 10.323 -5.702 -0.136 1.00 0.00 C ATOM 1075 CG1 ILE A 55 10.687 -4.649 0.906 1.00 0.00 C ATOM 1076 CG2 ILE A 55 10.054 -5.000 -1.474 1.00 0.00 C ATOM 1077 CD1 ILE A 55 12.017 -4.019 0.523 1.00 0.00 C ATOM 0 H ILE A 55 9.919 -8.368 0.773 1.00 0.00 H new ATOM 0 HA ILE A 55 8.364 -5.794 0.829 1.00 0.00 H new ATOM 0 HB ILE A 55 11.139 -6.414 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.910 -3.887 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.756 -5.104 1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.951 -4.470 -1.794 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.783 -5.741 -2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.236 -4.289 -1.354 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.288 -3.264 1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.788 -4.789 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 55 11.929 -3.552 -0.458 1.00 0.00 H new ATOM 1089 N LYS A 56 7.110 -6.665 -1.101 1.00 0.00 N ATOM 1090 CA LYS A 56 6.341 -7.221 -2.264 1.00 0.00 C ATOM 1091 C LYS A 56 5.020 -6.456 -2.460 1.00 0.00 C ATOM 1092 O LYS A 56 4.379 -6.053 -1.514 1.00 0.00 O ATOM 1093 CB LYS A 56 6.083 -8.699 -1.927 1.00 0.00 C ATOM 1094 CG LYS A 56 5.425 -8.837 -0.547 1.00 0.00 C ATOM 1095 CD LYS A 56 4.202 -9.752 -0.660 1.00 0.00 C ATOM 1096 CE LYS A 56 3.064 -8.995 -1.354 1.00 0.00 C ATOM 1097 NZ LYS A 56 1.955 -9.984 -1.482 1.00 0.00 N ATOM 0 H LYS A 56 6.610 -5.974 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 56 6.894 -7.120 -3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.440 -9.143 -2.687 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.023 -9.250 -1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.137 -9.248 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.127 -7.857 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.456 -10.649 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.886 -10.079 0.330 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.753 -8.129 -0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.376 -8.625 -2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.046 -9.481 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.092 -10.550 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.952 -10.612 -0.653 1.00 0.00 H new ATOM 1111 N HIS A 57 4.613 -6.252 -3.685 1.00 0.00 N ATOM 1112 CA HIS A 57 3.334 -5.510 -3.952 1.00 0.00 C ATOM 1113 C HIS A 57 2.791 -5.885 -5.334 1.00 0.00 C ATOM 1114 O HIS A 57 3.537 -6.169 -6.253 1.00 0.00 O ATOM 1115 CB HIS A 57 3.674 -4.009 -3.868 1.00 0.00 C ATOM 1116 CG HIS A 57 5.063 -3.735 -4.386 1.00 0.00 C ATOM 1117 ND1 HIS A 57 6.181 -3.807 -3.568 1.00 0.00 N ATOM 1118 CD2 HIS A 57 5.530 -3.393 -5.632 1.00 0.00 C ATOM 1119 CE1 HIS A 57 7.255 -3.517 -4.326 1.00 0.00 C ATOM 1120 NE2 HIS A 57 6.915 -3.257 -5.591 1.00 0.00 N ATOM 0 H HIS A 57 5.110 -6.566 -4.519 1.00 0.00 H new ATOM 0 HA HIS A 57 2.559 -5.764 -3.228 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.948 -3.436 -4.445 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.596 -3.673 -2.834 1.00 0.00 H new ATOM 0 HD2 HIS A 57 4.916 -3.251 -6.509 1.00 0.00 H new ATOM 0 HE1 HIS A 57 8.269 -3.497 -3.956 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.536 -3.012 -6.362 1.00 0.00 H new ATOM 1128 N CYS A 58 1.491 -5.912 -5.475 1.00 0.00 N ATOM 1129 CA CYS A 58 0.883 -6.294 -6.786 1.00 0.00 C ATOM 1130 C CYS A 58 -0.352 -5.432 -7.102 1.00 0.00 C ATOM 1131 O CYS A 58 -0.600 -4.425 -6.460 1.00 0.00 O ATOM 1132 CB CYS A 58 0.504 -7.768 -6.633 1.00 0.00 C ATOM 1133 SG CYS A 58 1.996 -8.765 -6.377 1.00 0.00 S ATOM 0 H CYS A 58 0.823 -5.686 -4.738 1.00 0.00 H new ATOM 0 HA CYS A 58 1.574 -6.135 -7.614 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.176 -7.892 -5.790 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.025 -8.111 -7.522 1.00 0.00 H new ATOM 0 HG CYS A 58 3.032 -7.984 -6.302 1.00 0.00 H new ATOM 1139 N ARG A 59 -1.104 -5.803 -8.112 1.00 0.00 N ATOM 1140 CA ARG A 59 -2.293 -4.991 -8.516 1.00 0.00 C ATOM 1141 C ARG A 59 -3.590 -5.365 -7.779 1.00 0.00 C ATOM 1142 O ARG A 59 -3.800 -6.485 -7.362 1.00 0.00 O ATOM 1143 CB ARG A 59 -2.441 -5.257 -10.031 1.00 0.00 C ATOM 1144 CG ARG A 59 -3.656 -6.160 -10.325 1.00 0.00 C ATOM 1145 CD ARG A 59 -3.221 -7.620 -10.338 1.00 0.00 C ATOM 1146 NE ARG A 59 -4.387 -8.363 -10.898 1.00 0.00 N ATOM 1147 CZ ARG A 59 -4.223 -9.546 -11.396 1.00 0.00 C ATOM 1148 NH1 ARG A 59 -3.731 -9.690 -12.582 1.00 0.00 N ATOM 1149 NH2 ARG A 59 -4.552 -10.584 -10.705 1.00 0.00 N ATOM 0 H ARG A 59 -0.943 -6.638 -8.675 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.135 -3.942 -8.263 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.552 -4.310 -10.559 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.534 -5.729 -10.410 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.426 -6.007 -9.569 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.095 -5.893 -11.286 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.331 -7.762 -10.951 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.976 -7.968 -9.335 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.314 -7.938 -10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.470 -8.870 -13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.603 -10.624 -12.971 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.940 -10.471 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.424 -11.518 -11.095 1.00 0.00 H new ATOM 1163 N VAL A 60 -4.482 -4.412 -7.698 1.00 0.00 N ATOM 1164 CA VAL A 60 -5.823 -4.634 -7.083 1.00 0.00 C ATOM 1165 C VAL A 60 -6.883 -4.484 -8.194 1.00 0.00 C ATOM 1166 O VAL A 60 -6.650 -3.828 -9.192 1.00 0.00 O ATOM 1167 CB VAL A 60 -5.974 -3.527 -6.030 1.00 0.00 C ATOM 1168 CG1 VAL A 60 -7.403 -3.524 -5.483 1.00 0.00 C ATOM 1169 CG2 VAL A 60 -5.001 -3.772 -4.876 1.00 0.00 C ATOM 0 H VAL A 60 -4.331 -3.464 -8.042 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.938 -5.618 -6.629 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.756 -2.566 -6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.505 -2.737 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.104 -3.344 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.619 -4.489 -5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.113 -2.983 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.216 -4.737 -4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.979 -3.771 -5.255 1.00 0.00 H new ATOM 1179 N GLN A 61 -8.037 -5.068 -8.034 1.00 0.00 N ATOM 1180 CA GLN A 61 -9.100 -4.945 -9.080 1.00 0.00 C ATOM 1181 C GLN A 61 -10.135 -3.911 -8.622 1.00 0.00 C ATOM 1182 O GLN A 61 -10.718 -4.048 -7.572 1.00 0.00 O ATOM 1183 CB GLN A 61 -9.740 -6.341 -9.165 1.00 0.00 C ATOM 1184 CG GLN A 61 -8.998 -7.215 -10.193 1.00 0.00 C ATOM 1185 CD GLN A 61 -7.587 -7.561 -9.696 1.00 0.00 C ATOM 1186 OE1 GLN A 61 -6.636 -7.522 -10.452 1.00 0.00 O ATOM 1187 NE2 GLN A 61 -7.404 -7.918 -8.458 1.00 0.00 N ATOM 0 H GLN A 61 -8.295 -5.628 -7.222 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.710 -4.622 -10.045 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.713 -6.820 -8.186 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.789 -6.250 -9.447 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.561 -8.131 -10.372 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.934 -6.689 -11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.195 -7.954 -7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.469 -8.162 -8.130 1.00 0.00 H new ATOM 1196 N GLN A 62 -10.370 -2.875 -9.379 1.00 0.00 N ATOM 1197 CA GLN A 62 -11.375 -1.859 -8.929 1.00 0.00 C ATOM 1198 C GLN A 62 -12.668 -1.966 -9.747 1.00 0.00 C ATOM 1199 O GLN A 62 -12.654 -1.908 -10.963 1.00 0.00 O ATOM 1200 CB GLN A 62 -10.697 -0.492 -9.114 1.00 0.00 C ATOM 1201 CG GLN A 62 -10.455 -0.201 -10.604 1.00 0.00 C ATOM 1202 CD GLN A 62 -9.884 1.208 -10.764 1.00 0.00 C ATOM 1203 OE1 GLN A 62 -8.719 1.372 -11.054 1.00 0.00 O ATOM 1204 NE2 GLN A 62 -10.661 2.237 -10.587 1.00 0.00 N ATOM 0 H GLN A 62 -9.921 -2.685 -10.275 1.00 0.00 H new ATOM 0 HA GLN A 62 -11.668 -2.013 -7.890 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.322 0.290 -8.683 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.749 -0.475 -8.577 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.764 -0.934 -11.021 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.389 -0.291 -11.159 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.642 2.099 -10.343 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.289 3.181 -10.692 1.00 0.00 H new ATOM 1213 N GLU A 63 -13.790 -2.110 -9.087 1.00 0.00 N ATOM 1214 CA GLU A 63 -15.085 -2.203 -9.830 1.00 0.00 C ATOM 1215 C GLU A 63 -15.797 -0.844 -9.767 1.00 0.00 C ATOM 1216 O GLU A 63 -15.588 -0.074 -8.847 1.00 0.00 O ATOM 1217 CB GLU A 63 -15.876 -3.296 -9.085 1.00 0.00 C ATOM 1218 CG GLU A 63 -17.373 -2.951 -9.041 1.00 0.00 C ATOM 1219 CD GLU A 63 -18.126 -3.976 -8.194 1.00 0.00 C ATOM 1220 OE1 GLU A 63 -18.115 -5.140 -8.555 1.00 0.00 O ATOM 1221 OE2 GLU A 63 -18.705 -3.573 -7.199 1.00 0.00 O ATOM 0 H GLU A 63 -13.866 -2.167 -8.071 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.970 -2.449 -10.886 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.734 -4.256 -9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.492 -3.401 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.512 -1.953 -8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -17.780 -2.935 -10.052 1.00 0.00 H new ATOM 1228 N GLY A 64 -16.647 -0.529 -10.712 1.00 0.00 N ATOM 1229 CA GLY A 64 -17.349 0.784 -10.618 1.00 0.00 C ATOM 1230 C GLY A 64 -18.404 0.653 -9.520 1.00 0.00 C ATOM 1231 O GLY A 64 -19.552 0.375 -9.794 1.00 0.00 O ATOM 0 H GLY A 64 -16.880 -1.105 -11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -16.644 1.581 -10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.814 1.041 -11.570 1.00 0.00 H new ATOM 1235 N GLN A 65 -17.981 0.840 -8.282 1.00 0.00 N ATOM 1236 CA GLN A 65 -18.866 0.721 -7.071 1.00 0.00 C ATOM 1237 C GLN A 65 -18.019 0.133 -5.937 1.00 0.00 C ATOM 1238 O GLN A 65 -18.189 0.467 -4.779 1.00 0.00 O ATOM 1239 CB GLN A 65 -20.009 -0.246 -7.424 1.00 0.00 C ATOM 1240 CG GLN A 65 -20.720 -0.712 -6.147 1.00 0.00 C ATOM 1241 CD GLN A 65 -22.148 -1.138 -6.485 1.00 0.00 C ATOM 1242 OE1 GLN A 65 -23.097 -0.561 -6.002 1.00 0.00 O ATOM 1243 NE2 GLN A 65 -22.343 -2.131 -7.302 1.00 0.00 N ATOM 0 H GLN A 65 -17.016 1.081 -8.057 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.276 1.684 -6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.721 0.247 -8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -19.614 -1.106 -7.964 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.177 -1.544 -5.699 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -20.734 0.092 -5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -21.546 -2.619 -7.711 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.293 -2.421 -7.534 1.00 0.00 H new ATOM 1252 N THR A 66 -17.096 -0.744 -6.276 1.00 0.00 N ATOM 1253 CA THR A 66 -16.226 -1.364 -5.236 1.00 0.00 C ATOM 1254 C THR A 66 -14.812 -1.652 -5.784 1.00 0.00 C ATOM 1255 O THR A 66 -14.440 -1.224 -6.854 1.00 0.00 O ATOM 1256 CB THR A 66 -16.923 -2.684 -4.841 1.00 0.00 C ATOM 1257 OG1 THR A 66 -18.329 -2.560 -4.987 1.00 0.00 O ATOM 1258 CG2 THR A 66 -16.606 -3.022 -3.385 1.00 0.00 C ATOM 0 H THR A 66 -16.913 -1.053 -7.231 1.00 0.00 H new ATOM 0 HA THR A 66 -16.099 -0.695 -4.385 1.00 0.00 H new ATOM 0 HB THR A 66 -16.558 -3.477 -5.494 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.669 -3.304 -5.527 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.100 -3.954 -3.112 1.00 0.00 H new ATOM 0 HG22 THR A 66 -15.529 -3.134 -3.264 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.963 -2.220 -2.739 1.00 0.00 H new ATOM 1266 N VAL A 67 -14.034 -2.389 -5.039 1.00 0.00 N ATOM 1267 CA VAL A 67 -12.643 -2.753 -5.450 1.00 0.00 C ATOM 1268 C VAL A 67 -12.283 -4.107 -4.824 1.00 0.00 C ATOM 1269 O VAL A 67 -12.750 -4.453 -3.754 1.00 0.00 O ATOM 1270 CB VAL A 67 -11.733 -1.654 -4.878 1.00 0.00 C ATOM 1271 CG1 VAL A 67 -10.265 -2.052 -5.051 1.00 0.00 C ATOM 1272 CG2 VAL A 67 -11.969 -0.331 -5.608 1.00 0.00 C ATOM 0 H VAL A 67 -14.312 -2.767 -4.133 1.00 0.00 H new ATOM 0 HA VAL A 67 -12.537 -2.831 -6.532 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.967 -1.533 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.625 -1.269 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.077 -2.986 -4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.046 -2.184 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.317 0.436 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.750 -0.456 -6.668 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.009 -0.029 -5.486 1.00 0.00 H new ATOM 1282 N MET A 68 -11.462 -4.872 -5.474 1.00 0.00 N ATOM 1283 CA MET A 68 -11.080 -6.193 -4.918 1.00 0.00 C ATOM 1284 C MET A 68 -9.582 -6.449 -5.103 1.00 0.00 C ATOM 1285 O MET A 68 -9.021 -6.221 -6.155 1.00 0.00 O ATOM 1286 CB MET A 68 -11.896 -7.205 -5.730 1.00 0.00 C ATOM 1287 CG MET A 68 -11.600 -8.627 -5.240 1.00 0.00 C ATOM 1288 SD MET A 68 -11.344 -9.717 -6.663 1.00 0.00 S ATOM 1289 CE MET A 68 -12.832 -10.725 -6.450 1.00 0.00 C ATOM 0 H MET A 68 -11.036 -4.639 -6.371 1.00 0.00 H new ATOM 0 HA MET A 68 -11.277 -6.259 -3.848 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.960 -6.991 -5.630 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.651 -7.117 -6.788 1.00 0.00 H new ATOM 0 HG2 MET A 68 -10.714 -8.627 -4.605 1.00 0.00 H new ATOM 0 HG3 MET A 68 -12.428 -8.993 -4.633 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.742 -11.637 -7.041 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.948 -10.984 -5.398 1.00 0.00 H new ATOM 0 HE3 MET A 68 -13.704 -10.162 -6.783 1.00 0.00 H new ATOM 1299 N LEU A 69 -8.943 -6.948 -4.090 1.00 0.00 N ATOM 1300 CA LEU A 69 -7.489 -7.265 -4.191 1.00 0.00 C ATOM 1301 C LEU A 69 -7.325 -8.609 -4.926 1.00 0.00 C ATOM 1302 O LEU A 69 -8.277 -9.152 -5.457 1.00 0.00 O ATOM 1303 CB LEU A 69 -7.020 -7.388 -2.741 1.00 0.00 C ATOM 1304 CG LEU A 69 -5.544 -7.004 -2.641 1.00 0.00 C ATOM 1305 CD1 LEU A 69 -5.403 -5.731 -1.810 1.00 0.00 C ATOM 1306 CD2 LEU A 69 -4.771 -8.138 -1.968 1.00 0.00 C ATOM 0 H LEU A 69 -9.366 -7.154 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.919 -6.514 -4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.618 -6.741 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.165 -8.409 -2.388 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.144 -6.831 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.350 -5.458 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.957 -4.922 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.801 -5.903 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.718 -7.867 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.172 -8.309 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.872 -9.048 -2.559 1.00 0.00 H new ATOM 1318 N GLY A 70 -6.142 -9.153 -4.977 1.00 0.00 N ATOM 1319 CA GLY A 70 -5.960 -10.448 -5.696 1.00 0.00 C ATOM 1320 C GLY A 70 -6.288 -11.587 -4.734 1.00 0.00 C ATOM 1321 O GLY A 70 -5.472 -11.978 -3.919 1.00 0.00 O ATOM 0 H GLY A 70 -5.299 -8.763 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.611 -10.491 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.936 -10.540 -6.057 1.00 0.00 H new ATOM 1325 N ASN A 71 -7.508 -12.084 -4.837 1.00 0.00 N ATOM 1326 CA ASN A 71 -8.030 -13.191 -3.957 1.00 0.00 C ATOM 1327 C ASN A 71 -8.657 -12.611 -2.670 1.00 0.00 C ATOM 1328 O ASN A 71 -8.574 -13.204 -1.607 1.00 0.00 O ATOM 1329 CB ASN A 71 -6.845 -14.118 -3.640 1.00 0.00 C ATOM 1330 CG ASN A 71 -7.325 -15.572 -3.612 1.00 0.00 C ATOM 1331 OD1 ASN A 71 -7.791 -16.086 -4.607 1.00 0.00 O ATOM 1332 ND2 ASN A 71 -7.234 -16.260 -2.512 1.00 0.00 N ATOM 0 H ASN A 71 -8.187 -11.753 -5.522 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.817 -13.752 -4.461 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.064 -13.996 -4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.407 -13.850 -2.678 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.554 -17.228 -2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.843 -15.831 -1.673 1.00 0.00 H new ATOM 1339 N SER A 72 -9.302 -11.459 -2.769 1.00 0.00 N ATOM 1340 CA SER A 72 -9.960 -10.835 -1.564 1.00 0.00 C ATOM 1341 C SER A 72 -10.650 -9.506 -1.931 1.00 0.00 C ATOM 1342 O SER A 72 -10.013 -8.571 -2.378 1.00 0.00 O ATOM 1343 CB SER A 72 -8.828 -10.579 -0.563 1.00 0.00 C ATOM 1344 OG SER A 72 -8.752 -11.673 0.345 1.00 0.00 O ATOM 0 H SER A 72 -9.400 -10.926 -3.633 1.00 0.00 H new ATOM 0 HA SER A 72 -10.732 -11.488 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.881 -10.461 -1.089 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.009 -9.652 -0.020 1.00 0.00 H new ATOM 0 HG SER A 72 -8.846 -12.515 -0.148 1.00 0.00 H new ATOM 1350 N GLU A 73 -11.944 -9.407 -1.732 1.00 0.00 N ATOM 1351 CA GLU A 73 -12.656 -8.125 -2.057 1.00 0.00 C ATOM 1352 C GLU A 73 -12.594 -7.181 -0.853 1.00 0.00 C ATOM 1353 O GLU A 73 -12.533 -7.618 0.282 1.00 0.00 O ATOM 1354 CB GLU A 73 -14.108 -8.514 -2.359 1.00 0.00 C ATOM 1355 CG GLU A 73 -14.721 -7.509 -3.343 1.00 0.00 C ATOM 1356 CD GLU A 73 -15.670 -8.244 -4.291 1.00 0.00 C ATOM 1357 OE1 GLU A 73 -15.199 -8.716 -5.313 1.00 0.00 O ATOM 1358 OE2 GLU A 73 -16.845 -8.331 -3.976 1.00 0.00 O ATOM 0 H GLU A 73 -12.535 -10.151 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.202 -7.610 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.145 -9.518 -2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.688 -8.534 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.260 -6.733 -2.799 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.934 -7.012 -3.911 1.00 0.00 H new ATOM 1365 N PHE A 74 -12.600 -5.895 -1.084 1.00 0.00 N ATOM 1366 CA PHE A 74 -12.530 -4.935 0.059 1.00 0.00 C ATOM 1367 C PHE A 74 -13.207 -3.605 -0.296 1.00 0.00 C ATOM 1368 O PHE A 74 -13.726 -3.431 -1.384 1.00 0.00 O ATOM 1369 CB PHE A 74 -11.032 -4.747 0.301 1.00 0.00 C ATOM 1370 CG PHE A 74 -10.733 -5.005 1.754 1.00 0.00 C ATOM 1371 CD1 PHE A 74 -10.696 -6.315 2.245 1.00 0.00 C ATOM 1372 CD2 PHE A 74 -10.512 -3.932 2.612 1.00 0.00 C ATOM 1373 CE1 PHE A 74 -10.430 -6.546 3.599 1.00 0.00 C ATOM 1374 CE2 PHE A 74 -10.249 -4.158 3.966 1.00 0.00 C ATOM 1375 CZ PHE A 74 -10.209 -5.467 4.461 1.00 0.00 C ATOM 0 H PHE A 74 -12.650 -5.468 -2.009 1.00 0.00 H new ATOM 0 HA PHE A 74 -13.049 -5.302 0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.461 -5.430 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.731 -3.735 0.029 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -10.873 -7.147 1.579 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.544 -2.922 2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.395 -7.557 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -10.077 -3.324 4.630 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.008 -5.643 5.507 1.00 0.00 H new ATOM 1385 N ASP A 75 -13.215 -2.666 0.616 1.00 0.00 N ATOM 1386 CA ASP A 75 -13.870 -1.360 0.319 1.00 0.00 C ATOM 1387 C ASP A 75 -12.920 -0.428 -0.460 1.00 0.00 C ATOM 1388 O ASP A 75 -11.814 -0.141 -0.050 1.00 0.00 O ATOM 1389 CB ASP A 75 -14.263 -0.777 1.678 1.00 0.00 C ATOM 1390 CG ASP A 75 -15.783 -0.712 1.796 1.00 0.00 C ATOM 1391 OD1 ASP A 75 -16.415 -0.276 0.849 1.00 0.00 O ATOM 1392 OD2 ASP A 75 -16.289 -1.095 2.841 1.00 0.00 O ATOM 0 H ASP A 75 -12.800 -2.747 1.544 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.745 -1.480 -0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.853 -1.392 2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.838 0.220 1.792 1.00 0.00 H new ATOM 1397 N SER A 76 -13.399 0.022 -1.587 1.00 0.00 N ATOM 1398 CA SER A 76 -12.659 0.945 -2.532 1.00 0.00 C ATOM 1399 C SER A 76 -11.138 1.029 -2.313 1.00 0.00 C ATOM 1400 O SER A 76 -10.582 2.110 -2.310 1.00 0.00 O ATOM 1401 CB SER A 76 -13.305 2.320 -2.331 1.00 0.00 C ATOM 1402 OG SER A 76 -13.162 2.722 -0.975 1.00 0.00 O ATOM 0 H SER A 76 -14.331 -0.223 -1.920 1.00 0.00 H new ATOM 0 HA SER A 76 -12.747 0.558 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 76 -12.837 3.052 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.361 2.279 -2.599 1.00 0.00 H new ATOM 0 HG SER A 76 -13.574 3.602 -0.849 1.00 0.00 H new ATOM 1408 N LEU A 77 -10.455 -0.089 -2.176 1.00 0.00 N ATOM 1409 CA LEU A 77 -8.957 -0.065 -1.991 1.00 0.00 C ATOM 1410 C LEU A 77 -8.566 0.665 -0.688 1.00 0.00 C ATOM 1411 O LEU A 77 -7.918 0.097 0.181 1.00 0.00 O ATOM 1412 CB LEU A 77 -8.420 0.673 -3.226 1.00 0.00 C ATOM 1413 CG LEU A 77 -7.142 0.000 -3.729 1.00 0.00 C ATOM 1414 CD1 LEU A 77 -6.867 0.448 -5.167 1.00 0.00 C ATOM 1415 CD2 LEU A 77 -5.966 0.411 -2.843 1.00 0.00 C ATOM 0 H LEU A 77 -10.870 -1.021 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.540 -1.068 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.173 0.675 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.217 1.715 -2.977 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.264 -1.083 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.957 -0.030 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.704 0.162 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.744 1.531 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.055 -0.069 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.844 1.494 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.159 0.102 -1.816 1.00 0.00 H new ATOM 1427 N VAL A 78 -8.968 1.907 -0.539 1.00 0.00 N ATOM 1428 CA VAL A 78 -8.647 2.676 0.704 1.00 0.00 C ATOM 1429 C VAL A 78 -8.971 1.843 1.942 1.00 0.00 C ATOM 1430 O VAL A 78 -8.365 2.019 2.974 1.00 0.00 O ATOM 1431 CB VAL A 78 -9.544 3.925 0.679 1.00 0.00 C ATOM 1432 CG1 VAL A 78 -9.169 4.817 -0.499 1.00 0.00 C ATOM 1433 CG2 VAL A 78 -11.012 3.513 0.541 1.00 0.00 C ATOM 0 H VAL A 78 -9.509 2.423 -1.233 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.589 2.935 0.742 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.401 4.471 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.811 5.698 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.128 5.127 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.300 4.265 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.640 4.404 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.148 2.956 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.295 2.886 1.386 1.00 0.00 H new ATOM 1443 N ASP A 79 -9.927 0.949 1.852 1.00 0.00 N ATOM 1444 CA ASP A 79 -10.287 0.123 3.036 1.00 0.00 C ATOM 1445 C ASP A 79 -9.184 -0.892 3.374 1.00 0.00 C ATOM 1446 O ASP A 79 -8.724 -0.952 4.504 1.00 0.00 O ATOM 1447 CB ASP A 79 -11.582 -0.575 2.667 1.00 0.00 C ATOM 1448 CG ASP A 79 -12.364 -0.885 3.941 1.00 0.00 C ATOM 1449 OD1 ASP A 79 -12.884 0.043 4.538 1.00 0.00 O ATOM 1450 OD2 ASP A 79 -12.442 -2.042 4.304 1.00 0.00 O ATOM 0 H ASP A 79 -10.470 0.760 1.009 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.402 0.739 3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.175 0.058 2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.371 -1.495 2.122 1.00 0.00 H new ATOM 1455 N LEU A 80 -8.741 -1.688 2.420 1.00 0.00 N ATOM 1456 CA LEU A 80 -7.654 -2.675 2.751 1.00 0.00 C ATOM 1457 C LEU A 80 -6.385 -1.900 3.128 1.00 0.00 C ATOM 1458 O LEU A 80 -5.732 -2.212 4.113 1.00 0.00 O ATOM 1459 CB LEU A 80 -7.429 -3.660 1.561 1.00 0.00 C ATOM 1460 CG LEU A 80 -7.721 -3.051 0.179 1.00 0.00 C ATOM 1461 CD1 LEU A 80 -6.500 -2.284 -0.323 1.00 0.00 C ATOM 1462 CD2 LEU A 80 -8.030 -4.173 -0.817 1.00 0.00 C ATOM 0 H LEU A 80 -9.073 -1.699 1.456 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.943 -3.289 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.396 -4.009 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.064 -4.535 1.702 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.572 -2.375 0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.716 -1.856 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.260 -1.484 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.651 -2.963 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.237 -3.743 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.173 -4.842 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.900 -4.733 -0.475 1.00 0.00 H new ATOM 1474 N ILE A 81 -6.066 -0.841 2.412 1.00 0.00 N ATOM 1475 CA ILE A 81 -4.877 -0.027 2.816 1.00 0.00 C ATOM 1476 C ILE A 81 -5.169 0.560 4.205 1.00 0.00 C ATOM 1477 O ILE A 81 -4.322 0.572 5.077 1.00 0.00 O ATOM 1478 CB ILE A 81 -4.717 1.093 1.771 1.00 0.00 C ATOM 1479 CG1 ILE A 81 -4.427 0.496 0.386 1.00 0.00 C ATOM 1480 CG2 ILE A 81 -3.549 1.997 2.171 1.00 0.00 C ATOM 1481 CD1 ILE A 81 -3.157 -0.366 0.437 1.00 0.00 C ATOM 0 H ILE A 81 -6.566 -0.514 1.585 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.961 -0.615 2.862 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.643 1.666 1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.273 -0.108 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.304 1.296 -0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.434 2.791 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.747 2.437 3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.633 1.409 2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.961 -0.784 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.312 0.249 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.296 -1.176 1.153 1.00 0.00 H new ATOM 1493 N SER A 82 -6.391 1.010 4.425 1.00 0.00 N ATOM 1494 CA SER A 82 -6.764 1.559 5.769 1.00 0.00 C ATOM 1495 C SER A 82 -6.554 0.484 6.826 1.00 0.00 C ATOM 1496 O SER A 82 -6.032 0.749 7.887 1.00 0.00 O ATOM 1497 CB SER A 82 -8.236 1.940 5.688 1.00 0.00 C ATOM 1498 OG SER A 82 -8.339 3.195 5.034 1.00 0.00 O ATOM 0 H SER A 82 -7.139 1.019 3.732 1.00 0.00 H new ATOM 0 HA SER A 82 -6.155 2.422 6.037 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.795 1.180 5.141 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.669 1.996 6.687 1.00 0.00 H new ATOM 0 HG SER A 82 -8.182 3.077 4.074 1.00 0.00 H new ATOM 1504 N TYR A 83 -6.926 -0.740 6.529 1.00 0.00 N ATOM 1505 CA TYR A 83 -6.698 -1.841 7.509 1.00 0.00 C ATOM 1506 C TYR A 83 -5.203 -1.877 7.834 1.00 0.00 C ATOM 1507 O TYR A 83 -4.805 -1.907 8.984 1.00 0.00 O ATOM 1508 CB TYR A 83 -7.133 -3.124 6.792 1.00 0.00 C ATOM 1509 CG TYR A 83 -7.993 -3.953 7.715 1.00 0.00 C ATOM 1510 CD1 TYR A 83 -7.428 -4.566 8.841 1.00 0.00 C ATOM 1511 CD2 TYR A 83 -9.356 -4.111 7.444 1.00 0.00 C ATOM 1512 CE1 TYR A 83 -8.228 -5.335 9.693 1.00 0.00 C ATOM 1513 CE2 TYR A 83 -10.154 -4.882 8.296 1.00 0.00 C ATOM 1514 CZ TYR A 83 -9.589 -5.493 9.419 1.00 0.00 C ATOM 1515 OH TYR A 83 -10.372 -6.255 10.256 1.00 0.00 O ATOM 0 H TYR A 83 -7.374 -1.019 5.656 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.250 -1.716 8.441 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.687 -2.877 5.887 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -6.257 -3.695 6.484 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.376 -4.445 9.051 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.792 -3.638 6.577 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.794 -5.806 10.562 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.206 -5.005 8.086 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.294 -6.262 9.925 1.00 0.00 H new ATOM 1525 N TYR A 84 -4.376 -1.833 6.811 1.00 0.00 N ATOM 1526 CA TYR A 84 -2.894 -1.823 7.033 1.00 0.00 C ATOM 1527 C TYR A 84 -2.489 -0.591 7.868 1.00 0.00 C ATOM 1528 O TYR A 84 -1.571 -0.650 8.662 1.00 0.00 O ATOM 1529 CB TYR A 84 -2.274 -1.751 5.630 1.00 0.00 C ATOM 1530 CG TYR A 84 -2.055 -3.147 5.097 1.00 0.00 C ATOM 1531 CD1 TYR A 84 -0.878 -3.836 5.408 1.00 0.00 C ATOM 1532 CD2 TYR A 84 -3.029 -3.753 4.295 1.00 0.00 C ATOM 1533 CE1 TYR A 84 -0.676 -5.132 4.918 1.00 0.00 C ATOM 1534 CE2 TYR A 84 -2.825 -5.048 3.805 1.00 0.00 C ATOM 1535 CZ TYR A 84 -1.650 -5.736 4.117 1.00 0.00 C ATOM 1536 OH TYR A 84 -1.452 -7.010 3.634 1.00 0.00 O ATOM 0 H TYR A 84 -4.666 -1.804 5.833 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.555 -2.703 7.579 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -2.930 -1.195 4.960 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.327 -1.213 5.668 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.125 -3.369 6.026 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -3.938 -3.221 4.054 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.232 -5.665 5.159 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.576 -5.515 3.186 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.132 -7.588 4.358 1.00 0.00 H new ATOM 1546 N GLU A 85 -3.174 0.522 7.700 1.00 0.00 N ATOM 1547 CA GLU A 85 -2.833 1.751 8.497 1.00 0.00 C ATOM 1548 C GLU A 85 -3.342 1.596 9.933 1.00 0.00 C ATOM 1549 O GLU A 85 -2.621 1.806 10.893 1.00 0.00 O ATOM 1550 CB GLU A 85 -3.559 2.908 7.797 1.00 0.00 C ATOM 1551 CG GLU A 85 -2.978 4.254 8.272 1.00 0.00 C ATOM 1552 CD GLU A 85 -3.627 4.684 9.592 1.00 0.00 C ATOM 1553 OE1 GLU A 85 -4.829 4.517 9.728 1.00 0.00 O ATOM 1554 OE2 GLU A 85 -2.909 5.174 10.454 1.00 0.00 O ATOM 0 H GLU A 85 -3.951 0.632 7.048 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.758 1.922 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.451 2.816 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.626 2.865 8.015 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.899 4.165 8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.146 5.017 7.512 1.00 0.00 H new ATOM 1561 N LYS A 86 -4.581 1.224 10.082 1.00 0.00 N ATOM 1562 CA LYS A 86 -5.173 1.040 11.441 1.00 0.00 C ATOM 1563 C LYS A 86 -4.413 -0.045 12.218 1.00 0.00 C ATOM 1564 O LYS A 86 -4.146 0.099 13.396 1.00 0.00 O ATOM 1565 CB LYS A 86 -6.615 0.604 11.168 1.00 0.00 C ATOM 1566 CG LYS A 86 -7.585 1.568 11.852 1.00 0.00 C ATOM 1567 CD LYS A 86 -7.585 2.900 11.098 1.00 0.00 C ATOM 1568 CE LYS A 86 -7.133 4.023 12.030 1.00 0.00 C ATOM 1569 NZ LYS A 86 -6.740 5.131 11.119 1.00 0.00 N ATOM 0 H LYS A 86 -5.221 1.036 9.310 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.120 1.944 12.047 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.802 0.586 10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.774 -0.409 11.536 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.589 1.144 11.866 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.291 1.724 12.890 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.920 2.840 10.236 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.584 3.112 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.935 4.328 12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.297 3.708 12.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.661 6.015 11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.823 4.911 10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.461 5.243 10.378 1.00 0.00 H new ATOM 1583 N HIS A 87 -4.063 -1.123 11.564 1.00 0.00 N ATOM 1584 CA HIS A 87 -3.318 -2.219 12.254 1.00 0.00 C ATOM 1585 C HIS A 87 -1.897 -2.325 11.694 1.00 0.00 C ATOM 1586 O HIS A 87 -1.702 -2.815 10.603 1.00 0.00 O ATOM 1587 CB HIS A 87 -4.129 -3.485 11.955 1.00 0.00 C ATOM 1588 CG HIS A 87 -4.037 -4.431 13.119 1.00 0.00 C ATOM 1589 ND1 HIS A 87 -2.940 -5.255 13.316 1.00 0.00 N ATOM 1590 CD2 HIS A 87 -4.896 -4.697 14.156 1.00 0.00 C ATOM 1591 CE1 HIS A 87 -3.166 -5.972 14.432 1.00 0.00 C ATOM 1592 NE2 HIS A 87 -4.344 -5.670 14.984 1.00 0.00 N ATOM 0 H HIS A 87 -4.262 -1.292 10.578 1.00 0.00 H new ATOM 0 HA HIS A 87 -3.214 -2.050 13.326 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.171 -3.225 11.766 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.752 -3.966 11.052 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.855 -4.223 14.307 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -2.479 -6.703 14.832 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -4.752 -6.067 15.831 1.00 0.00 H new ATOM 1600 N PRO A 88 -0.945 -1.852 12.470 1.00 0.00 N ATOM 1601 CA PRO A 88 0.476 -1.895 12.040 1.00 0.00 C ATOM 1602 C PRO A 88 1.017 -3.330 12.100 1.00 0.00 C ATOM 1603 O PRO A 88 1.196 -3.903 13.159 1.00 0.00 O ATOM 1604 CB PRO A 88 1.183 -0.984 13.040 1.00 0.00 C ATOM 1605 CG PRO A 88 0.313 -0.988 14.258 1.00 0.00 C ATOM 1606 CD PRO A 88 -1.101 -1.242 13.799 1.00 0.00 C ATOM 0 HA PRO A 88 0.624 -1.571 11.010 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.183 -1.352 13.269 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.298 0.024 12.641 1.00 0.00 H new ATOM 0 HG2 PRO A 88 0.634 -1.760 14.957 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.381 -0.035 14.782 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.628 -1.907 14.483 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.675 -0.317 13.748 1.00 0.00 H new ATOM 1614 N LEU A 89 1.251 -3.912 10.958 1.00 0.00 N ATOM 1615 CA LEU A 89 1.757 -5.327 10.904 1.00 0.00 C ATOM 1616 C LEU A 89 3.276 -5.399 11.113 1.00 0.00 C ATOM 1617 O LEU A 89 3.753 -5.857 12.137 1.00 0.00 O ATOM 1618 CB LEU A 89 1.431 -5.838 9.493 1.00 0.00 C ATOM 1619 CG LEU A 89 -0.067 -5.706 9.156 1.00 0.00 C ATOM 1620 CD1 LEU A 89 -0.923 -5.753 10.423 1.00 0.00 C ATOM 1621 CD2 LEU A 89 -0.318 -4.390 8.419 1.00 0.00 C ATOM 0 H LEU A 89 1.115 -3.471 10.048 1.00 0.00 H new ATOM 0 HA LEU A 89 1.292 -5.919 11.692 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.016 -5.280 8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.730 -6.883 9.409 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.347 -6.545 8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.975 -5.658 10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.764 -6.702 10.935 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.641 -4.933 11.083 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.378 -4.302 8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.016 -3.555 9.052 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.262 -4.374 7.496 1.00 0.00 H new ATOM 1633 N TYR A 90 4.038 -4.975 10.134 1.00 0.00 N ATOM 1634 CA TYR A 90 5.527 -5.046 10.245 1.00 0.00 C ATOM 1635 C TYR A 90 6.063 -3.983 11.223 1.00 0.00 C ATOM 1636 O TYR A 90 6.946 -3.213 10.895 1.00 0.00 O ATOM 1637 CB TYR A 90 6.035 -4.815 8.819 1.00 0.00 C ATOM 1638 CG TYR A 90 5.618 -5.981 7.946 1.00 0.00 C ATOM 1639 CD1 TYR A 90 6.402 -7.142 7.903 1.00 0.00 C ATOM 1640 CD2 TYR A 90 4.442 -5.906 7.187 1.00 0.00 C ATOM 1641 CE1 TYR A 90 6.009 -8.223 7.103 1.00 0.00 C ATOM 1642 CE2 TYR A 90 4.051 -6.988 6.388 1.00 0.00 C ATOM 1643 CZ TYR A 90 4.833 -8.146 6.348 1.00 0.00 C ATOM 1644 OH TYR A 90 4.448 -9.216 5.559 1.00 0.00 O ATOM 0 H TYR A 90 3.690 -4.581 9.260 1.00 0.00 H new ATOM 0 HA TYR A 90 5.867 -6.002 10.644 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.629 -3.885 8.422 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.120 -4.715 8.819 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.309 -7.203 8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.836 -5.012 7.218 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.614 -9.117 7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.145 -6.928 5.803 1.00 0.00 H new ATOM 0 HH TYR A 90 3.683 -8.955 5.005 1.00 0.00 H new ATOM 1654 N ARG A 91 5.538 -3.956 12.431 1.00 0.00 N ATOM 1655 CA ARG A 91 5.997 -2.975 13.477 1.00 0.00 C ATOM 1656 C ARG A 91 5.805 -1.510 13.037 1.00 0.00 C ATOM 1657 O ARG A 91 5.035 -0.777 13.628 1.00 0.00 O ATOM 1658 CB ARG A 91 7.483 -3.294 13.692 1.00 0.00 C ATOM 1659 CG ARG A 91 7.669 -4.052 15.010 1.00 0.00 C ATOM 1660 CD ARG A 91 6.848 -5.347 14.986 1.00 0.00 C ATOM 1661 NE ARG A 91 7.517 -6.214 13.968 1.00 0.00 N ATOM 1662 CZ ARG A 91 6.812 -6.977 13.186 1.00 0.00 C ATOM 1663 NH1 ARG A 91 5.750 -7.567 13.637 1.00 0.00 N ATOM 1664 NH2 ARG A 91 7.189 -7.153 11.961 1.00 0.00 N ATOM 0 H ARG A 91 4.797 -4.584 12.742 1.00 0.00 H new ATOM 0 HA ARG A 91 5.411 -3.074 14.391 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.859 -3.892 12.862 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.063 -2.371 13.708 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.724 -4.282 15.162 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.355 -3.427 15.846 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.838 -5.825 15.965 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.810 -5.151 14.716 1.00 0.00 H new ATOM 0 HE ARG A 91 8.534 -6.207 13.886 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.465 -7.433 14.607 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.199 -8.165 13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.033 -6.695 11.616 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.643 -7.750 11.340 1.00 0.00 H new ATOM 1678 N LYS A 92 6.504 -1.078 12.020 1.00 0.00 N ATOM 1679 CA LYS A 92 6.374 0.341 11.556 1.00 0.00 C ATOM 1680 C LYS A 92 5.457 0.456 10.322 1.00 0.00 C ATOM 1681 O LYS A 92 5.179 1.544 9.852 1.00 0.00 O ATOM 1682 CB LYS A 92 7.814 0.799 11.235 1.00 0.00 C ATOM 1683 CG LYS A 92 8.340 0.109 9.964 1.00 0.00 C ATOM 1684 CD LYS A 92 9.257 -1.068 10.335 1.00 0.00 C ATOM 1685 CE LYS A 92 10.533 -0.561 11.010 1.00 0.00 C ATOM 1686 NZ LYS A 92 11.513 -1.671 10.833 1.00 0.00 N ATOM 0 H LYS A 92 7.162 -1.647 11.487 1.00 0.00 H new ATOM 0 HA LYS A 92 5.912 0.969 12.318 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.834 1.881 11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.469 0.569 12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.503 -0.248 9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.887 0.826 9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.731 -1.750 11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.513 -1.634 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.888 0.360 10.547 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.365 -0.344 12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.313 -1.535 11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.050 -2.579 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.861 -1.674 9.853 1.00 0.00 H new ATOM 1700 N MET A 93 4.972 -0.644 9.793 1.00 0.00 N ATOM 1701 CA MET A 93 4.071 -0.562 8.594 1.00 0.00 C ATOM 1702 C MET A 93 2.656 -0.138 9.015 1.00 0.00 C ATOM 1703 O MET A 93 1.694 -0.866 8.856 1.00 0.00 O ATOM 1704 CB MET A 93 4.078 -1.968 7.987 1.00 0.00 C ATOM 1705 CG MET A 93 5.144 -2.040 6.887 1.00 0.00 C ATOM 1706 SD MET A 93 6.592 -1.068 7.379 1.00 0.00 S ATOM 1707 CE MET A 93 7.657 -2.441 7.873 1.00 0.00 C ATOM 0 H MET A 93 5.158 -1.587 10.135 1.00 0.00 H new ATOM 0 HA MET A 93 4.409 0.182 7.872 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.285 -2.709 8.759 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.097 -2.203 7.575 1.00 0.00 H new ATOM 0 HG2 MET A 93 5.432 -3.077 6.713 1.00 0.00 H new ATOM 0 HG3 MET A 93 4.740 -1.659 5.949 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.692 -2.208 7.622 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.572 -2.599 8.948 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.351 -3.346 7.348 1.00 0.00 H new ATOM 1717 N LYS A 94 2.535 1.049 9.554 1.00 0.00 N ATOM 1718 CA LYS A 94 1.199 1.562 9.997 1.00 0.00 C ATOM 1719 C LYS A 94 0.715 2.676 9.049 1.00 0.00 C ATOM 1720 O LYS A 94 -0.081 3.511 9.424 1.00 0.00 O ATOM 1721 CB LYS A 94 1.456 2.131 11.400 1.00 0.00 C ATOM 1722 CG LYS A 94 0.135 2.250 12.167 1.00 0.00 C ATOM 1723 CD LYS A 94 -0.230 3.733 12.330 1.00 0.00 C ATOM 1724 CE LYS A 94 -1.421 3.876 13.280 1.00 0.00 C ATOM 1725 NZ LYS A 94 -2.625 3.666 12.425 1.00 0.00 N ATOM 0 H LYS A 94 3.312 1.692 9.708 1.00 0.00 H new ATOM 0 HA LYS A 94 0.431 0.788 9.994 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.145 1.484 11.943 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.931 3.109 11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.657 1.726 11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.226 1.777 13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.625 4.286 12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.474 4.165 11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.375 3.141 14.084 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.436 4.860 13.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.472 3.614 13.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.721 4.459 11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.523 2.778 11.893 1.00 0.00 H new ATOM 1739 N LEU A 95 1.204 2.705 7.829 1.00 0.00 N ATOM 1740 CA LEU A 95 0.791 3.777 6.862 1.00 0.00 C ATOM 1741 C LEU A 95 0.976 5.167 7.496 1.00 0.00 C ATOM 1742 O LEU A 95 0.107 6.025 7.457 1.00 0.00 O ATOM 1743 CB LEU A 95 -0.666 3.473 6.520 1.00 0.00 C ATOM 1744 CG LEU A 95 -0.687 2.696 5.211 1.00 0.00 C ATOM 1745 CD1 LEU A 95 -1.358 1.347 5.423 1.00 0.00 C ATOM 1746 CD2 LEU A 95 -1.455 3.491 4.171 1.00 0.00 C ATOM 0 H LEU A 95 1.874 2.030 7.460 1.00 0.00 H new ATOM 0 HA LEU A 95 1.399 3.788 5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.132 2.892 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.236 4.397 6.424 1.00 0.00 H new ATOM 0 HG LEU A 95 0.335 2.534 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.370 0.795 4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.804 0.779 6.170 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.381 1.500 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.473 2.939 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.476 3.652 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.968 4.454 4.017 1.00 0.00 H new ATOM 1758 N ARG A 96 2.130 5.374 8.081 1.00 0.00 N ATOM 1759 CA ARG A 96 2.457 6.675 8.732 1.00 0.00 C ATOM 1760 C ARG A 96 3.988 6.786 8.887 1.00 0.00 C ATOM 1761 O ARG A 96 4.504 7.027 9.963 1.00 0.00 O ATOM 1762 CB ARG A 96 1.753 6.608 10.097 1.00 0.00 C ATOM 1763 CG ARG A 96 1.377 8.020 10.580 1.00 0.00 C ATOM 1764 CD ARG A 96 0.544 8.764 9.518 1.00 0.00 C ATOM 1765 NE ARG A 96 -0.578 7.840 9.160 1.00 0.00 N ATOM 1766 CZ ARG A 96 -1.796 8.112 9.524 1.00 0.00 C ATOM 1767 NH1 ARG A 96 -2.132 8.057 10.773 1.00 0.00 N ATOM 1768 NH2 ARG A 96 -2.670 8.446 8.633 1.00 0.00 N ATOM 0 H ARG A 96 2.874 4.678 8.134 1.00 0.00 H new ATOM 0 HA ARG A 96 2.132 7.546 8.163 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.856 5.993 10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.406 6.130 10.827 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.811 7.952 11.509 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.282 8.586 10.799 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.164 9.708 9.910 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.149 9.002 8.643 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.386 6.992 8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.440 7.799 11.476 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.089 8.271 11.054 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.403 8.495 7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.627 8.660 8.913 1.00 0.00 H new ATOM 1782 N TYR A 97 4.713 6.593 7.808 1.00 0.00 N ATOM 1783 CA TYR A 97 6.200 6.662 7.858 1.00 0.00 C ATOM 1784 C TYR A 97 6.719 7.240 6.540 1.00 0.00 C ATOM 1785 O TYR A 97 6.236 6.872 5.485 1.00 0.00 O ATOM 1786 CB TYR A 97 6.641 5.202 8.005 1.00 0.00 C ATOM 1787 CG TYR A 97 7.730 5.092 9.040 1.00 0.00 C ATOM 1788 CD1 TYR A 97 9.042 5.456 8.718 1.00 0.00 C ATOM 1789 CD2 TYR A 97 7.427 4.618 10.320 1.00 0.00 C ATOM 1790 CE1 TYR A 97 10.052 5.347 9.679 1.00 0.00 C ATOM 1791 CE2 TYR A 97 8.438 4.507 11.280 1.00 0.00 C ATOM 1792 CZ TYR A 97 9.750 4.872 10.960 1.00 0.00 C ATOM 1793 OH TYR A 97 10.745 4.756 11.905 1.00 0.00 O ATOM 0 H TYR A 97 4.327 6.388 6.886 1.00 0.00 H new ATOM 0 HA TYR A 97 6.575 7.290 8.666 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.791 4.584 8.294 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.999 4.824 7.047 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.274 5.821 7.728 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.414 4.338 10.567 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.065 5.629 9.433 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.206 4.139 12.269 1.00 0.00 H new ATOM 0 HH TYR A 97 10.365 4.412 12.740 1.00 0.00 H new ATOM 1803 N PRO A 98 7.682 8.124 6.620 1.00 0.00 N ATOM 1804 CA PRO A 98 8.234 8.724 5.396 1.00 0.00 C ATOM 1805 C PRO A 98 9.420 7.885 4.939 1.00 0.00 C ATOM 1806 O PRO A 98 9.649 6.792 5.425 1.00 0.00 O ATOM 1807 CB PRO A 98 8.744 10.077 5.868 1.00 0.00 C ATOM 1808 CG PRO A 98 9.081 9.876 7.313 1.00 0.00 C ATOM 1809 CD PRO A 98 8.341 8.654 7.816 1.00 0.00 C ATOM 0 HA PRO A 98 7.517 8.791 4.578 1.00 0.00 H new ATOM 0 HB2 PRO A 98 9.618 10.391 5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.987 10.851 5.742 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.156 9.745 7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 98 8.799 10.755 7.893 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.024 7.925 8.252 1.00 0.00 H new ATOM 0 HD3 PRO A 98 7.617 8.915 8.588 1.00 0.00 H new ATOM 1817 N ILE A 99 10.198 8.397 4.041 1.00 0.00 N ATOM 1818 CA ILE A 99 11.387 7.645 3.599 1.00 0.00 C ATOM 1819 C ILE A 99 12.646 8.455 3.957 1.00 0.00 C ATOM 1820 O ILE A 99 13.081 9.322 3.227 1.00 0.00 O ATOM 1821 CB ILE A 99 11.200 7.438 2.091 1.00 0.00 C ATOM 1822 CG1 ILE A 99 11.063 8.783 1.335 1.00 0.00 C ATOM 1823 CG2 ILE A 99 9.944 6.576 1.844 1.00 0.00 C ATOM 1824 CD1 ILE A 99 9.588 9.199 1.217 1.00 0.00 C ATOM 0 H ILE A 99 10.061 9.304 3.594 1.00 0.00 H new ATOM 0 HA ILE A 99 11.506 6.676 4.084 1.00 0.00 H new ATOM 0 HB ILE A 99 12.087 6.932 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.623 9.558 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.500 8.692 0.341 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.809 6.428 0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.065 5.609 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.069 7.082 2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.519 10.146 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.037 8.433 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.161 9.313 2.213 1.00 0.00 H new ATOM 1836 N ASN A 100 13.216 8.186 5.106 1.00 0.00 N ATOM 1837 CA ASN A 100 14.426 8.951 5.553 1.00 0.00 C ATOM 1838 C ASN A 100 15.717 8.213 5.155 1.00 0.00 C ATOM 1839 O ASN A 100 15.977 7.119 5.624 1.00 0.00 O ATOM 1840 CB ASN A 100 14.304 9.030 7.084 1.00 0.00 C ATOM 1841 CG ASN A 100 12.879 9.431 7.485 1.00 0.00 C ATOM 1842 OD1 ASN A 100 12.024 8.586 7.655 1.00 0.00 O ATOM 1843 ND2 ASN A 100 12.586 10.688 7.642 1.00 0.00 N ATOM 0 H ASN A 100 12.896 7.468 5.756 1.00 0.00 H new ATOM 0 HA ASN A 100 14.476 9.937 5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.556 8.066 7.526 1.00 0.00 H new ATOM 0 HB3 ASN A 100 15.017 9.756 7.475 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.640 10.962 7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.302 11.400 7.500 1.00 0.00 H new ATOM 1850 N GLU A 101 16.530 8.789 4.301 1.00 0.00 N ATOM 1851 CA GLU A 101 17.795 8.088 3.887 1.00 0.00 C ATOM 1852 C GLU A 101 18.817 8.047 5.035 1.00 0.00 C ATOM 1853 O GLU A 101 19.113 9.047 5.672 1.00 0.00 O ATOM 1854 CB GLU A 101 18.334 8.868 2.685 1.00 0.00 C ATOM 1855 CG GLU A 101 19.137 7.916 1.780 1.00 0.00 C ATOM 1856 CD GLU A 101 18.221 7.258 0.740 1.00 0.00 C ATOM 1857 OE1 GLU A 101 17.839 7.931 -0.202 1.00 0.00 O ATOM 1858 OE2 GLU A 101 17.924 6.082 0.886 1.00 0.00 O ATOM 0 H GLU A 101 16.378 9.703 3.875 1.00 0.00 H new ATOM 0 HA GLU A 101 17.602 7.047 3.627 1.00 0.00 H new ATOM 0 HB2 GLU A 101 17.510 9.312 2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 101 18.968 9.688 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 101 19.931 8.468 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.618 7.148 2.386 1.00 0.00 H new