USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 153:sc= -0.0705 (180deg=-0.541) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.469 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -24:sc= 0.892! USER MOD Single : A 50 ASN : amide:sc= -0.267 K(o=-0.27,f=-1) USER MOD Single : A 51 THR OG1 : rot -69:sc= 1.5 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0959 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0225 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 163:sc= -0.0108 (180deg=-0.377) USER MOD Single : A 73 THR OG1 : rot -134:sc= 0.163 USER MOD Single : A 75 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.017) USER MOD Single : A 77 THR OG1 : rot 47:sc= 1.14 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 14.525 25.540 4.185 1.00 0.00 N ATOM 2 CA HIS A 8 15.264 26.006 5.393 1.00 0.00 C ATOM 3 C HIS A 8 16.755 25.705 5.226 1.00 0.00 C ATOM 4 O HIS A 8 17.147 24.891 4.415 1.00 0.00 O ATOM 5 CB HIS A 8 14.732 25.277 6.629 1.00 0.00 C ATOM 6 CG HIS A 8 13.873 26.214 7.433 1.00 0.00 C ATOM 7 ND1 HIS A 8 14.385 26.986 8.464 1.00 0.00 N ATOM 8 CD2 HIS A 8 12.535 26.516 7.368 1.00 0.00 C ATOM 9 CE1 HIS A 8 13.370 27.706 8.975 1.00 0.00 C ATOM 10 NE2 HIS A 8 12.220 27.458 8.343 1.00 0.00 N ATOM 0 HA HIS A 8 15.121 27.080 5.515 1.00 0.00 H new ATOM 0 HB2 HIS A 8 14.153 24.404 6.328 1.00 0.00 H new ATOM 0 HB3 HIS A 8 15.562 24.916 7.236 1.00 0.00 H new ATOM 0 HD2 HIS A 8 11.834 26.088 6.667 1.00 0.00 H new ATOM 0 HE1 HIS A 8 13.473 28.400 9.796 1.00 0.00 H new ATOM 0 HE2 HIS A 8 11.307 27.870 8.534 1.00 0.00 H new ATOM 20 N MET A 9 17.590 26.356 5.989 1.00 0.00 N ATOM 21 CA MET A 9 19.054 26.108 5.873 1.00 0.00 C ATOM 22 C MET A 9 19.775 26.744 7.064 1.00 0.00 C ATOM 23 O MET A 9 20.061 27.924 7.070 1.00 0.00 O ATOM 24 CB MET A 9 19.575 26.724 4.573 1.00 0.00 C ATOM 25 CG MET A 9 20.778 25.922 4.073 1.00 0.00 C ATOM 26 SD MET A 9 21.860 26.999 3.101 1.00 0.00 S ATOM 27 CE MET A 9 21.089 26.702 1.491 1.00 0.00 C ATOM 0 H MET A 9 17.321 27.049 6.688 1.00 0.00 H new ATOM 0 HA MET A 9 19.241 25.034 5.866 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.788 26.727 3.819 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.861 27.763 4.740 1.00 0.00 H new ATOM 0 HG2 MET A 9 21.326 25.504 4.917 1.00 0.00 H new ATOM 0 HG3 MET A 9 20.441 25.082 3.465 1.00 0.00 H new ATOM 0 HE1 MET A 9 21.609 27.280 0.727 1.00 0.00 H new ATOM 0 HE2 MET A 9 21.151 25.641 1.248 1.00 0.00 H new ATOM 0 HE3 MET A 9 20.043 27.006 1.527 1.00 0.00 H new ATOM 37 N VAL A 10 20.073 25.970 8.071 1.00 0.00 N ATOM 38 CA VAL A 10 20.775 26.532 9.259 1.00 0.00 C ATOM 39 C VAL A 10 22.013 25.686 9.566 1.00 0.00 C ATOM 40 O VAL A 10 21.927 24.646 10.189 1.00 0.00 O ATOM 41 CB VAL A 10 19.834 26.516 10.464 1.00 0.00 C ATOM 42 CG1 VAL A 10 18.875 27.704 10.380 1.00 0.00 C ATOM 43 CG2 VAL A 10 19.031 25.213 10.465 1.00 0.00 C ATOM 0 H VAL A 10 19.861 24.974 8.123 1.00 0.00 H new ATOM 0 HA VAL A 10 21.078 27.558 9.050 1.00 0.00 H new ATOM 0 HB VAL A 10 20.418 26.586 11.382 1.00 0.00 H new ATOM 0 HG11 VAL A 10 18.205 27.692 11.239 1.00 0.00 H new ATOM 0 HG12 VAL A 10 19.446 28.633 10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 10 18.290 27.635 9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 10 18.360 25.200 11.324 1.00 0.00 H new ATOM 0 HG22 VAL A 10 18.447 25.145 9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 10 19.713 24.365 10.525 1.00 0.00 H new ATOM 53 N GLU A 11 23.164 26.124 9.136 1.00 0.00 N ATOM 54 CA GLU A 11 24.406 25.346 9.404 1.00 0.00 C ATOM 55 C GLU A 11 24.175 23.876 9.046 1.00 0.00 C ATOM 56 O GLU A 11 23.870 23.061 9.894 1.00 0.00 O ATOM 57 CB GLU A 11 24.769 25.459 10.885 1.00 0.00 C ATOM 58 CG GLU A 11 26.289 25.554 11.034 1.00 0.00 C ATOM 59 CD GLU A 11 26.670 26.960 11.500 1.00 0.00 C ATOM 60 OE1 GLU A 11 26.411 27.897 10.764 1.00 0.00 O ATOM 61 OE2 GLU A 11 27.215 27.075 12.586 1.00 0.00 O ATOM 0 H GLU A 11 23.298 26.988 8.610 1.00 0.00 H new ATOM 0 HA GLU A 11 25.221 25.743 8.799 1.00 0.00 H new ATOM 0 HB2 GLU A 11 24.295 26.339 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 11 24.393 24.593 11.429 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.641 24.814 11.752 1.00 0.00 H new ATOM 0 HG3 GLU A 11 26.773 25.331 10.083 1.00 0.00 H new ATOM 68 N GLU A 12 24.319 23.529 7.796 1.00 0.00 N ATOM 69 CA GLU A 12 24.108 22.113 7.386 1.00 0.00 C ATOM 70 C GLU A 12 22.652 21.718 7.642 1.00 0.00 C ATOM 71 O GLU A 12 21.763 22.546 7.630 1.00 0.00 O ATOM 72 CB GLU A 12 25.033 21.204 8.198 1.00 0.00 C ATOM 73 CG GLU A 12 25.706 20.195 7.266 1.00 0.00 C ATOM 74 CD GLU A 12 27.225 20.291 7.423 1.00 0.00 C ATOM 75 OE1 GLU A 12 27.742 21.392 7.338 1.00 0.00 O ATOM 76 OE2 GLU A 12 27.846 19.260 7.625 1.00 0.00 O ATOM 0 H GLU A 12 24.574 24.166 7.041 1.00 0.00 H new ATOM 0 HA GLU A 12 24.332 22.005 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 12 25.788 21.800 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 12 24.463 20.681 8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 12 25.368 19.186 7.501 1.00 0.00 H new ATOM 0 HG3 GLU A 12 25.423 20.394 6.232 1.00 0.00 H new ATOM 83 N VAL A 13 22.402 20.459 7.874 1.00 0.00 N ATOM 84 CA VAL A 13 21.004 20.012 8.131 1.00 0.00 C ATOM 85 C VAL A 13 20.888 19.504 9.569 1.00 0.00 C ATOM 86 O VAL A 13 20.211 18.534 9.843 1.00 0.00 O ATOM 87 CB VAL A 13 20.641 18.886 7.163 1.00 0.00 C ATOM 88 CG1 VAL A 13 20.278 19.479 5.800 1.00 0.00 C ATOM 89 CG2 VAL A 13 21.838 17.946 7.006 1.00 0.00 C ATOM 0 H VAL A 13 23.105 19.720 7.897 1.00 0.00 H new ATOM 0 HA VAL A 13 20.323 20.850 7.984 1.00 0.00 H new ATOM 0 HB VAL A 13 19.789 18.331 7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.019 18.675 5.111 1.00 0.00 H new ATOM 0 HG12 VAL A 13 19.426 20.150 5.910 1.00 0.00 H new ATOM 0 HG13 VAL A 13 21.129 20.035 5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 13 21.581 17.142 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 13 22.689 18.503 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 13 22.098 17.522 7.976 1.00 0.00 H new ATOM 99 N LEU A 14 21.545 20.154 10.491 1.00 0.00 N ATOM 100 CA LEU A 14 21.473 19.707 11.910 1.00 0.00 C ATOM 101 C LEU A 14 22.059 18.298 12.030 1.00 0.00 C ATOM 102 O LEU A 14 21.442 17.403 12.572 1.00 0.00 O ATOM 103 CB LEU A 14 20.013 19.692 12.367 1.00 0.00 C ATOM 104 CG LEU A 14 19.854 20.582 13.601 1.00 0.00 C ATOM 105 CD1 LEU A 14 20.814 20.113 14.697 1.00 0.00 C ATOM 106 CD2 LEU A 14 20.179 22.030 13.228 1.00 0.00 C ATOM 0 H LEU A 14 22.128 20.974 10.323 1.00 0.00 H new ATOM 0 HA LEU A 14 22.043 20.393 12.537 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.366 20.046 11.564 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.704 18.673 12.599 1.00 0.00 H new ATOM 0 HG LEU A 14 18.828 20.519 13.964 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.700 20.747 15.576 1.00 0.00 H new ATOM 0 HD12 LEU A 14 20.586 19.081 14.963 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.840 20.177 14.334 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.066 22.666 14.106 1.00 0.00 H new ATOM 0 HD22 LEU A 14 21.205 22.091 12.865 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.497 22.366 12.447 1.00 0.00 H new ATOM 118 N GLU A 15 23.246 18.095 11.528 1.00 0.00 N ATOM 119 CA GLU A 15 23.870 16.745 11.612 1.00 0.00 C ATOM 120 C GLU A 15 23.070 15.760 10.758 1.00 0.00 C ATOM 121 O GLU A 15 23.371 15.539 9.602 1.00 0.00 O ATOM 122 CB GLU A 15 23.872 16.274 13.069 1.00 0.00 C ATOM 123 CG GLU A 15 25.296 16.339 13.625 1.00 0.00 C ATOM 124 CD GLU A 15 25.691 17.799 13.848 1.00 0.00 C ATOM 125 OE1 GLU A 15 25.059 18.660 13.259 1.00 0.00 O ATOM 126 OE2 GLU A 15 26.620 18.032 14.605 1.00 0.00 O ATOM 0 H GLU A 15 23.811 18.806 11.063 1.00 0.00 H new ATOM 0 HA GLU A 15 24.895 16.794 11.245 1.00 0.00 H new ATOM 0 HB2 GLU A 15 23.209 16.900 13.666 1.00 0.00 H new ATOM 0 HB3 GLU A 15 23.491 15.255 13.133 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.357 15.788 14.563 1.00 0.00 H new ATOM 0 HG3 GLU A 15 25.991 15.865 12.931 1.00 0.00 H new ATOM 133 N GLU A 16 22.050 15.167 11.318 1.00 0.00 N ATOM 134 CA GLU A 16 21.230 14.197 10.537 1.00 0.00 C ATOM 135 C GLU A 16 21.990 12.875 10.409 1.00 0.00 C ATOM 136 O GLU A 16 23.004 12.791 9.747 1.00 0.00 O ATOM 137 CB GLU A 16 20.959 14.767 9.142 1.00 0.00 C ATOM 138 CG GLU A 16 19.605 14.263 8.640 1.00 0.00 C ATOM 139 CD GLU A 16 18.509 15.251 9.047 1.00 0.00 C ATOM 140 OE1 GLU A 16 18.812 16.427 9.159 1.00 0.00 O ATOM 141 OE2 GLU A 16 17.386 14.815 9.237 1.00 0.00 O ATOM 0 H GLU A 16 21.749 15.312 12.282 1.00 0.00 H new ATOM 0 HA GLU A 16 20.284 14.024 11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.964 15.856 9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 16 21.749 14.465 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.625 14.153 7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.394 13.278 9.057 1.00 0.00 H new ATOM 148 N GLU A 17 21.503 11.839 11.038 1.00 0.00 N ATOM 149 CA GLU A 17 22.197 10.523 10.952 1.00 0.00 C ATOM 150 C GLU A 17 21.455 9.619 9.967 1.00 0.00 C ATOM 151 O GLU A 17 21.834 9.492 8.820 1.00 0.00 O ATOM 152 CB GLU A 17 22.215 9.865 12.335 1.00 0.00 C ATOM 153 CG GLU A 17 23.454 10.325 13.104 1.00 0.00 C ATOM 154 CD GLU A 17 23.143 11.625 13.846 1.00 0.00 C ATOM 155 OE1 GLU A 17 22.101 11.689 14.477 1.00 0.00 O ATOM 156 OE2 GLU A 17 23.951 12.536 13.770 1.00 0.00 O ATOM 0 H GLU A 17 20.656 11.848 11.606 1.00 0.00 H new ATOM 0 HA GLU A 17 23.220 10.673 10.607 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.313 10.129 12.887 1.00 0.00 H new ATOM 0 HB3 GLU A 17 22.220 8.780 12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.762 9.555 13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 17 24.286 10.477 12.416 1.00 0.00 H new ATOM 163 N GLU A 18 20.399 8.988 10.405 1.00 0.00 N ATOM 164 CA GLU A 18 19.634 8.092 9.493 1.00 0.00 C ATOM 165 C GLU A 18 18.403 8.834 8.964 1.00 0.00 C ATOM 166 O GLU A 18 18.305 9.136 7.791 1.00 0.00 O ATOM 167 CB GLU A 18 19.189 6.844 10.258 1.00 0.00 C ATOM 168 CG GLU A 18 20.202 5.720 10.033 1.00 0.00 C ATOM 169 CD GLU A 18 21.188 5.680 11.202 1.00 0.00 C ATOM 170 OE1 GLU A 18 21.418 6.723 11.792 1.00 0.00 O ATOM 171 OE2 GLU A 18 21.696 4.609 11.487 1.00 0.00 O ATOM 0 H GLU A 18 20.034 9.055 11.355 1.00 0.00 H new ATOM 0 HA GLU A 18 20.268 7.797 8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 18 19.107 7.067 11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 18 18.201 6.531 9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 18 19.686 4.764 9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 18 20.737 5.880 9.097 1.00 0.00 H new ATOM 178 N GLU A 19 17.464 9.129 9.821 1.00 0.00 N ATOM 179 CA GLU A 19 16.240 9.849 9.368 1.00 0.00 C ATOM 180 C GLU A 19 15.625 9.114 8.177 1.00 0.00 C ATOM 181 O GLU A 19 16.089 9.224 7.059 1.00 0.00 O ATOM 182 CB GLU A 19 16.614 11.274 8.950 1.00 0.00 C ATOM 183 CG GLU A 19 15.376 11.990 8.406 1.00 0.00 C ATOM 184 CD GLU A 19 14.375 12.215 9.540 1.00 0.00 C ATOM 185 OE1 GLU A 19 14.760 12.807 10.534 1.00 0.00 O ATOM 186 OE2 GLU A 19 13.240 11.792 9.395 1.00 0.00 O ATOM 0 H GLU A 19 17.491 8.903 10.815 1.00 0.00 H new ATOM 0 HA GLU A 19 15.517 9.885 10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 19 17.017 11.820 9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.395 11.248 8.190 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.660 12.945 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.918 11.396 7.615 1.00 0.00 H new ATOM 193 N GLU A 20 14.582 8.364 8.405 1.00 0.00 N ATOM 194 CA GLU A 20 13.937 7.622 7.284 1.00 0.00 C ATOM 195 C GLU A 20 13.263 8.616 6.336 1.00 0.00 C ATOM 196 O GLU A 20 13.125 9.783 6.640 1.00 0.00 O ATOM 197 CB GLU A 20 12.888 6.660 7.846 1.00 0.00 C ATOM 198 CG GLU A 20 13.564 5.353 8.262 1.00 0.00 C ATOM 199 CD GLU A 20 12.600 4.185 8.040 1.00 0.00 C ATOM 200 OE1 GLU A 20 11.760 4.296 7.161 1.00 0.00 O ATOM 201 OE2 GLU A 20 12.718 3.202 8.752 1.00 0.00 O ATOM 0 H GLU A 20 14.148 8.233 9.319 1.00 0.00 H new ATOM 0 HA GLU A 20 14.693 7.056 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.387 7.111 8.703 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.122 6.463 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 20 14.475 5.202 7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.858 5.401 9.310 1.00 0.00 H new ATOM 208 N TYR A 21 12.844 8.161 5.186 1.00 0.00 N ATOM 209 CA TYR A 21 12.181 9.081 4.218 1.00 0.00 C ATOM 210 C TYR A 21 10.718 9.276 4.621 1.00 0.00 C ATOM 211 O TYR A 21 10.327 8.996 5.736 1.00 0.00 O ATOM 212 CB TYR A 21 12.247 8.476 2.815 1.00 0.00 C ATOM 213 CG TYR A 21 13.590 7.816 2.613 1.00 0.00 C ATOM 214 CD1 TYR A 21 14.727 8.599 2.375 1.00 0.00 C ATOM 215 CD2 TYR A 21 13.699 6.420 2.664 1.00 0.00 C ATOM 216 CE1 TYR A 21 15.973 7.987 2.190 1.00 0.00 C ATOM 217 CE2 TYR A 21 14.945 5.808 2.478 1.00 0.00 C ATOM 218 CZ TYR A 21 16.082 6.590 2.240 1.00 0.00 C ATOM 219 OH TYR A 21 17.309 5.987 2.058 1.00 0.00 O ATOM 0 H TYR A 21 12.932 7.193 4.875 1.00 0.00 H new ATOM 0 HA TYR A 21 12.691 10.044 4.223 1.00 0.00 H new ATOM 0 HB2 TYR A 21 11.448 7.746 2.684 1.00 0.00 H new ATOM 0 HB3 TYR A 21 12.095 9.252 2.065 1.00 0.00 H new ATOM 0 HD1 TYR A 21 14.643 9.675 2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 21 12.822 5.816 2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 21 16.850 8.591 2.009 1.00 0.00 H new ATOM 0 HE2 TYR A 21 15.029 4.732 2.518 1.00 0.00 H new ATOM 0 HH TYR A 21 17.209 5.014 2.124 1.00 0.00 H new ATOM 229 N VAL A 22 9.905 9.759 3.720 1.00 0.00 N ATOM 230 CA VAL A 22 8.468 9.974 4.051 1.00 0.00 C ATOM 231 C VAL A 22 7.600 9.064 3.178 1.00 0.00 C ATOM 232 O VAL A 22 8.048 8.533 2.181 1.00 0.00 O ATOM 233 CB VAL A 22 8.098 11.435 3.789 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.710 11.721 4.364 1.00 0.00 C ATOM 235 CG2 VAL A 22 9.125 12.349 4.463 1.00 0.00 C ATOM 0 H VAL A 22 10.174 10.014 2.770 1.00 0.00 H new ATOM 0 HA VAL A 22 8.299 9.738 5.102 1.00 0.00 H new ATOM 0 HB VAL A 22 8.093 11.621 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.446 12.762 4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.977 11.070 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.716 11.535 5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.863 13.390 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.129 12.162 5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.115 12.146 4.056 1.00 0.00 H new ATOM 245 N VAL A 23 6.359 8.886 3.540 1.00 0.00 N ATOM 246 CA VAL A 23 5.464 8.017 2.730 1.00 0.00 C ATOM 247 C VAL A 23 4.680 8.886 1.749 1.00 0.00 C ATOM 248 O VAL A 23 4.002 9.816 2.136 1.00 0.00 O ATOM 249 CB VAL A 23 4.491 7.280 3.653 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.537 6.428 2.814 1.00 0.00 C ATOM 251 CG2 VAL A 23 5.277 6.376 4.604 1.00 0.00 C ATOM 0 H VAL A 23 5.927 9.306 4.363 1.00 0.00 H new ATOM 0 HA VAL A 23 6.059 7.287 2.181 1.00 0.00 H new ATOM 0 HB VAL A 23 3.918 8.006 4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.844 5.903 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.977 7.071 2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.110 5.702 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.585 5.851 5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.850 5.651 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.957 6.982 5.203 1.00 0.00 H new ATOM 261 N GLU A 24 4.768 8.595 0.482 1.00 0.00 N ATOM 262 CA GLU A 24 4.028 9.413 -0.517 1.00 0.00 C ATOM 263 C GLU A 24 2.646 8.803 -0.756 1.00 0.00 C ATOM 264 O GLU A 24 1.680 9.504 -0.980 1.00 0.00 O ATOM 265 CB GLU A 24 4.809 9.440 -1.832 1.00 0.00 C ATOM 266 CG GLU A 24 5.023 10.890 -2.269 1.00 0.00 C ATOM 267 CD GLU A 24 3.667 11.573 -2.459 1.00 0.00 C ATOM 268 OE1 GLU A 24 2.747 10.904 -2.899 1.00 0.00 O ATOM 269 OE2 GLU A 24 3.573 12.752 -2.161 1.00 0.00 O ATOM 0 H GLU A 24 5.319 7.828 0.096 1.00 0.00 H new ATOM 0 HA GLU A 24 3.914 10.430 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.770 8.941 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.264 8.894 -2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.609 11.424 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.591 10.920 -3.199 1.00 0.00 H new ATOM 276 N LYS A 25 2.544 7.502 -0.707 1.00 0.00 N ATOM 277 CA LYS A 25 1.223 6.849 -0.931 1.00 0.00 C ATOM 278 C LYS A 25 1.430 5.367 -1.248 1.00 0.00 C ATOM 279 O LYS A 25 2.540 4.872 -1.256 1.00 0.00 O ATOM 280 CB LYS A 25 0.511 7.522 -2.107 1.00 0.00 C ATOM 281 CG LYS A 25 -0.709 8.290 -1.594 1.00 0.00 C ATOM 282 CD LYS A 25 -0.789 9.648 -2.295 1.00 0.00 C ATOM 283 CE LYS A 25 -1.461 9.480 -3.657 1.00 0.00 C ATOM 284 NZ LYS A 25 -2.911 9.190 -3.465 1.00 0.00 N ATOM 0 H LYS A 25 3.318 6.864 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 25 0.616 6.948 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.193 8.201 -2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.202 6.773 -2.836 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.618 7.718 -1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.637 8.429 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.353 10.352 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.211 10.064 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.336 10.386 -4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.987 8.669 -4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.443 9.517 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.048 8.166 -3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.255 9.685 -2.617 1.00 0.00 H new ATOM 298 N VAL A 26 0.369 4.656 -1.510 1.00 0.00 N ATOM 299 CA VAL A 26 0.500 3.207 -1.829 1.00 0.00 C ATOM 300 C VAL A 26 0.326 3.004 -3.335 1.00 0.00 C ATOM 301 O VAL A 26 -0.220 3.842 -4.025 1.00 0.00 O ATOM 302 CB VAL A 26 -0.576 2.422 -1.078 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.235 0.933 -1.098 1.00 0.00 C ATOM 304 CG2 VAL A 26 -0.635 2.904 0.372 1.00 0.00 C ATOM 0 H VAL A 26 -0.585 5.017 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 26 1.485 2.852 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.541 2.581 -1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.004 0.376 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.188 0.584 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.730 0.774 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.401 2.346 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.332 2.744 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.878 3.966 0.393 1.00 0.00 H new ATOM 314 N LEU A 27 0.787 1.899 -3.852 1.00 0.00 N ATOM 315 CA LEU A 27 0.648 1.647 -5.314 1.00 0.00 C ATOM 316 C LEU A 27 0.047 0.259 -5.544 1.00 0.00 C ATOM 317 O LEU A 27 -0.689 0.040 -6.484 1.00 0.00 O ATOM 318 CB LEU A 27 2.026 1.722 -5.977 1.00 0.00 C ATOM 319 CG LEU A 27 2.415 3.187 -6.182 1.00 0.00 C ATOM 320 CD1 LEU A 27 3.939 3.309 -6.225 1.00 0.00 C ATOM 321 CD2 LEU A 27 1.827 3.689 -7.503 1.00 0.00 C ATOM 0 H LEU A 27 1.254 1.160 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.009 2.401 -5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.768 1.221 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.009 1.202 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 27 2.026 3.785 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.216 4.353 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.359 2.950 -5.286 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.329 2.711 -7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.103 4.733 -7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.218 3.090 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.741 3.602 -7.474 1.00 0.00 H new ATOM 333 N ASP A 28 0.356 -0.682 -4.693 1.00 0.00 N ATOM 334 CA ASP A 28 -0.200 -2.054 -4.870 1.00 0.00 C ATOM 335 C ASP A 28 -0.151 -2.802 -3.537 1.00 0.00 C ATOM 336 O ASP A 28 0.144 -2.234 -2.504 1.00 0.00 O ATOM 337 CB ASP A 28 0.632 -2.811 -5.908 1.00 0.00 C ATOM 338 CG ASP A 28 0.642 -2.032 -7.224 1.00 0.00 C ATOM 339 OD1 ASP A 28 -0.416 -1.885 -7.812 1.00 0.00 O ATOM 340 OD2 ASP A 28 1.710 -1.593 -7.622 1.00 0.00 O ATOM 0 H ASP A 28 0.967 -0.561 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.233 -1.985 -5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.651 -2.945 -5.545 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.217 -3.806 -6.066 1.00 0.00 H new ATOM 345 N ARG A 29 -0.439 -4.075 -3.552 1.00 0.00 N ATOM 346 CA ARG A 29 -0.409 -4.862 -2.288 1.00 0.00 C ATOM 347 C ARG A 29 -0.279 -6.350 -2.617 1.00 0.00 C ATOM 348 O ARG A 29 -0.721 -6.807 -3.653 1.00 0.00 O ATOM 349 CB ARG A 29 -1.704 -4.623 -1.508 1.00 0.00 C ATOM 350 CG ARG A 29 -2.882 -5.223 -2.279 1.00 0.00 C ATOM 351 CD ARG A 29 -4.190 -4.867 -1.571 1.00 0.00 C ATOM 352 NE ARG A 29 -4.922 -6.117 -1.223 1.00 0.00 N ATOM 353 CZ ARG A 29 -6.207 -6.080 -0.998 1.00 0.00 C ATOM 354 NH1 ARG A 29 -7.046 -6.100 -1.997 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.654 -6.023 0.228 1.00 0.00 N ATOM 0 H ARG A 29 -0.694 -4.604 -4.386 1.00 0.00 H new ATOM 0 HA ARG A 29 0.442 -4.548 -1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.634 -5.076 -0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.859 -3.554 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.894 -4.842 -3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.774 -6.306 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.983 -4.291 -0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.806 -4.240 -2.215 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.419 -7.002 -1.161 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.698 -6.145 -2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.050 -6.071 -1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.999 -6.007 1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.658 -5.994 0.404 1.00 0.00 H new ATOM 369 N ARG A 30 0.326 -7.111 -1.746 1.00 0.00 N ATOM 370 CA ARG A 30 0.483 -8.568 -2.013 1.00 0.00 C ATOM 371 C ARG A 30 -0.203 -9.368 -0.904 1.00 0.00 C ATOM 372 O ARG A 30 -0.490 -8.854 0.159 1.00 0.00 O ATOM 373 CB ARG A 30 1.970 -8.923 -2.051 1.00 0.00 C ATOM 374 CG ARG A 30 2.141 -10.356 -2.562 1.00 0.00 C ATOM 375 CD ARG A 30 3.387 -10.438 -3.445 1.00 0.00 C ATOM 376 NE ARG A 30 4.580 -10.013 -2.661 1.00 0.00 N ATOM 377 CZ ARG A 30 5.685 -9.692 -3.276 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.963 -10.221 -4.436 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.512 -8.842 -2.731 1.00 0.00 N ATOM 0 H ARG A 30 0.718 -6.787 -0.862 1.00 0.00 H new ATOM 0 HA ARG A 30 0.026 -8.811 -2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.504 -8.228 -2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.403 -8.827 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.232 -11.044 -1.722 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.260 -10.659 -3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.522 -11.457 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.268 -9.800 -4.321 1.00 0.00 H new ATOM 0 HE ARG A 30 4.533 -9.973 -1.643 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.317 -10.885 -4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.827 -9.970 -4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.294 -8.429 -1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.376 -8.591 -3.212 1.00 0.00 H new ATOM 393 N VAL A 31 -0.468 -10.623 -1.143 1.00 0.00 N ATOM 394 CA VAL A 31 -1.135 -11.456 -0.103 1.00 0.00 C ATOM 395 C VAL A 31 -0.783 -12.927 -0.327 1.00 0.00 C ATOM 396 O VAL A 31 -1.228 -13.545 -1.275 1.00 0.00 O ATOM 397 CB VAL A 31 -2.651 -11.274 -0.199 1.00 0.00 C ATOM 398 CG1 VAL A 31 -3.346 -12.310 0.686 1.00 0.00 C ATOM 399 CG2 VAL A 31 -3.025 -9.868 0.275 1.00 0.00 C ATOM 0 H VAL A 31 -0.251 -11.108 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.794 -11.147 0.885 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.969 -11.407 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.426 -12.181 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.079 -13.312 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.029 -12.176 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.105 -9.736 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.708 -9.736 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.529 -9.128 -0.354 1.00 0.00 H new ATOM 409 N VAL A 32 0.013 -13.495 0.536 1.00 0.00 N ATOM 410 CA VAL A 32 0.391 -14.927 0.372 1.00 0.00 C ATOM 411 C VAL A 32 -0.441 -15.788 1.324 1.00 0.00 C ATOM 412 O VAL A 32 0.076 -16.638 2.021 1.00 0.00 O ATOM 413 CB VAL A 32 1.877 -15.101 0.692 1.00 0.00 C ATOM 414 CG1 VAL A 32 2.408 -16.352 -0.011 1.00 0.00 C ATOM 415 CG2 VAL A 32 2.651 -13.875 0.201 1.00 0.00 C ATOM 0 H VAL A 32 0.418 -13.029 1.348 1.00 0.00 H new ATOM 0 HA VAL A 32 0.201 -15.237 -0.656 1.00 0.00 H new ATOM 0 HB VAL A 32 2.006 -15.207 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.467 -16.476 0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.857 -17.226 0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.279 -16.247 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.710 -13.998 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.521 -13.770 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.274 -12.983 0.700 1.00 0.00 H new ATOM 425 N LYS A 33 -1.728 -15.575 1.359 1.00 0.00 N ATOM 426 CA LYS A 33 -2.593 -16.381 2.266 1.00 0.00 C ATOM 427 C LYS A 33 -2.053 -16.293 3.695 1.00 0.00 C ATOM 428 O LYS A 33 -1.788 -17.295 4.331 1.00 0.00 O ATOM 429 CB LYS A 33 -2.593 -17.840 1.809 1.00 0.00 C ATOM 430 CG LYS A 33 -3.317 -17.955 0.466 1.00 0.00 C ATOM 431 CD LYS A 33 -2.917 -19.261 -0.221 1.00 0.00 C ATOM 432 CE LYS A 33 -1.788 -18.991 -1.217 1.00 0.00 C ATOM 433 NZ LYS A 33 -2.323 -19.062 -2.606 1.00 0.00 N ATOM 0 H LYS A 33 -2.218 -14.878 0.799 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.611 -15.993 2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.569 -18.202 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.085 -18.465 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.396 -17.928 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.064 -17.106 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.594 -19.990 0.522 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.776 -19.690 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.354 -18.008 -1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.990 -19.722 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.556 -18.878 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.718 -20.009 -2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.070 -18.348 -2.727 1.00 0.00 H new ATOM 447 N GLY A 34 -1.888 -15.104 4.205 1.00 0.00 N ATOM 448 CA GLY A 34 -1.366 -14.953 5.593 1.00 0.00 C ATOM 449 C GLY A 34 -0.307 -13.849 5.622 1.00 0.00 C ATOM 450 O GLY A 34 0.071 -13.367 6.671 1.00 0.00 O ATOM 0 H GLY A 34 -2.092 -14.230 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.181 -14.708 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.935 -15.894 5.935 1.00 0.00 H new ATOM 454 N LYS A 35 0.174 -13.445 4.479 1.00 0.00 N ATOM 455 CA LYS A 35 1.208 -12.372 4.442 1.00 0.00 C ATOM 456 C LYS A 35 0.717 -11.221 3.559 1.00 0.00 C ATOM 457 O LYS A 35 1.064 -11.126 2.399 1.00 0.00 O ATOM 458 CB LYS A 35 2.509 -12.937 3.868 1.00 0.00 C ATOM 459 CG LYS A 35 3.112 -13.937 4.856 1.00 0.00 C ATOM 460 CD LYS A 35 4.599 -13.631 5.049 1.00 0.00 C ATOM 461 CE LYS A 35 5.022 -14.025 6.464 1.00 0.00 C ATOM 462 NZ LYS A 35 6.418 -14.546 6.439 1.00 0.00 N ATOM 0 H LYS A 35 -0.104 -13.811 3.569 1.00 0.00 H new ATOM 0 HA LYS A 35 1.387 -12.004 5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.315 -13.425 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.215 -12.129 3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.591 -13.879 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.984 -14.954 4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.192 -14.178 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.787 -12.570 4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.956 -13.163 7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.346 -14.784 6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.706 -14.814 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.467 -15.379 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.057 -13.809 6.079 1.00 0.00 H new ATOM 476 N VAL A 36 -0.089 -10.349 4.099 1.00 0.00 N ATOM 477 CA VAL A 36 -0.602 -9.207 3.289 1.00 0.00 C ATOM 478 C VAL A 36 0.426 -8.073 3.295 1.00 0.00 C ATOM 479 O VAL A 36 0.515 -7.309 4.235 1.00 0.00 O ATOM 480 CB VAL A 36 -1.917 -8.706 3.890 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.385 -7.464 3.129 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.979 -9.802 3.775 1.00 0.00 C ATOM 0 H VAL A 36 -0.415 -10.377 5.065 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.772 -9.537 2.264 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.764 -8.454 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.322 -7.107 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.629 -6.683 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.538 -7.716 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.916 -9.447 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.131 -10.053 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.647 -10.689 4.315 1.00 0.00 H new ATOM 492 N GLU A 37 1.202 -7.957 2.252 1.00 0.00 N ATOM 493 CA GLU A 37 2.220 -6.871 2.199 1.00 0.00 C ATOM 494 C GLU A 37 1.630 -5.657 1.478 1.00 0.00 C ATOM 495 O GLU A 37 0.480 -5.655 1.085 1.00 0.00 O ATOM 496 CB GLU A 37 3.454 -7.365 1.442 1.00 0.00 C ATOM 497 CG GLU A 37 4.383 -8.107 2.407 1.00 0.00 C ATOM 498 CD GLU A 37 4.270 -9.613 2.167 1.00 0.00 C ATOM 499 OE1 GLU A 37 3.271 -10.031 1.605 1.00 0.00 O ATOM 500 OE2 GLU A 37 5.185 -10.324 2.549 1.00 0.00 O ATOM 0 H GLU A 37 1.175 -8.567 1.435 1.00 0.00 H new ATOM 0 HA GLU A 37 2.506 -6.589 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.154 -8.026 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.978 -6.523 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.413 -7.781 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.118 -7.871 3.438 1.00 0.00 H new ATOM 507 N TYR A 38 2.407 -4.623 1.300 1.00 0.00 N ATOM 508 CA TYR A 38 1.884 -3.413 0.605 1.00 0.00 C ATOM 509 C TYR A 38 3.044 -2.644 -0.030 1.00 0.00 C ATOM 510 O TYR A 38 3.924 -2.154 0.648 1.00 0.00 O ATOM 511 CB TYR A 38 1.170 -2.513 1.617 1.00 0.00 C ATOM 512 CG TYR A 38 -0.282 -2.920 1.714 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.192 -2.511 0.731 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.718 -3.706 2.789 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.538 -2.888 0.822 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.065 -4.084 2.880 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.975 -3.674 1.896 1.00 0.00 C ATOM 518 OH TYR A 38 -4.300 -4.046 1.985 1.00 0.00 O ATOM 0 H TYR A 38 3.379 -4.564 1.605 1.00 0.00 H new ATOM 0 HA TYR A 38 1.183 -3.717 -0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.648 -2.594 2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.247 -1.470 1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.856 -1.905 -0.097 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.016 -4.021 3.547 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.239 -2.572 0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.401 -4.691 3.708 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.434 -4.590 2.789 1.00 0.00 H new ATOM 528 N LEU A 39 3.048 -2.530 -1.331 1.00 0.00 N ATOM 529 CA LEU A 39 4.146 -1.789 -2.013 1.00 0.00 C ATOM 530 C LEU A 39 3.815 -0.295 -2.023 1.00 0.00 C ATOM 531 O LEU A 39 2.922 0.144 -2.717 1.00 0.00 O ATOM 532 CB LEU A 39 4.282 -2.292 -3.452 1.00 0.00 C ATOM 533 CG LEU A 39 5.610 -1.813 -4.040 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.088 -2.811 -5.097 1.00 0.00 C ATOM 535 CD2 LEU A 39 5.416 -0.440 -4.686 1.00 0.00 C ATOM 0 H LEU A 39 2.337 -2.919 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 39 5.084 -1.952 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.235 -3.381 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.452 -1.925 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 39 6.354 -1.739 -3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.035 -2.471 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.226 -3.790 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.344 -2.884 -5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.362 -0.098 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.673 -0.513 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.075 0.271 -3.934 1.00 0.00 H new ATOM 547 N LEU A 40 4.522 0.488 -1.255 1.00 0.00 N ATOM 548 CA LEU A 40 4.234 1.951 -1.223 1.00 0.00 C ATOM 549 C LEU A 40 5.475 2.737 -1.653 1.00 0.00 C ATOM 550 O LEU A 40 6.585 2.244 -1.604 1.00 0.00 O ATOM 551 CB LEU A 40 3.841 2.361 0.198 1.00 0.00 C ATOM 552 CG LEU A 40 4.877 1.828 1.189 1.00 0.00 C ATOM 553 CD1 LEU A 40 5.278 2.941 2.158 1.00 0.00 C ATOM 554 CD2 LEU A 40 4.274 0.661 1.976 1.00 0.00 C ATOM 0 H LEU A 40 5.284 0.180 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 40 3.416 2.170 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.778 3.447 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.854 1.968 0.441 1.00 0.00 H new ATOM 0 HG LEU A 40 5.757 1.486 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.016 2.560 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.706 3.773 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.398 3.284 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.011 0.280 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.394 1.005 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.988 -0.133 1.287 1.00 0.00 H new ATOM 566 N LYS A 41 5.293 3.960 -2.071 1.00 0.00 N ATOM 567 CA LYS A 41 6.454 4.789 -2.501 1.00 0.00 C ATOM 568 C LYS A 41 6.832 5.750 -1.373 1.00 0.00 C ATOM 569 O LYS A 41 6.304 5.678 -0.280 1.00 0.00 O ATOM 570 CB LYS A 41 6.072 5.592 -3.746 1.00 0.00 C ATOM 571 CG LYS A 41 4.949 6.572 -3.397 1.00 0.00 C ATOM 572 CD LYS A 41 3.785 6.384 -4.372 1.00 0.00 C ATOM 573 CE LYS A 41 3.126 7.737 -4.649 1.00 0.00 C ATOM 574 NZ LYS A 41 2.085 7.576 -5.702 1.00 0.00 N ATOM 0 H LYS A 41 4.386 4.422 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 41 7.301 4.142 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.939 6.135 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.748 4.919 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.611 6.405 -2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.317 7.597 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.144 5.945 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.055 5.691 -3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.677 8.129 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.876 8.460 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.637 8.495 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.526 7.220 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.365 6.900 -5.377 1.00 0.00 H new ATOM 588 N TRP A 42 7.741 6.650 -1.625 1.00 0.00 N ATOM 589 CA TRP A 42 8.148 7.614 -0.565 1.00 0.00 C ATOM 590 C TRP A 42 8.433 8.976 -1.200 1.00 0.00 C ATOM 591 O TRP A 42 8.649 9.080 -2.391 1.00 0.00 O ATOM 592 CB TRP A 42 9.408 7.101 0.136 1.00 0.00 C ATOM 593 CG TRP A 42 9.137 5.756 0.733 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.984 4.610 0.030 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.984 5.398 2.137 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.747 3.572 0.912 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.738 4.006 2.223 1.00 0.00 C ATOM 598 CE3 TRP A 42 9.034 6.139 3.333 1.00 0.00 C ATOM 599 CZ2 TRP A 42 8.548 3.373 3.451 1.00 0.00 C ATOM 600 CZ3 TRP A 42 8.845 5.504 4.573 1.00 0.00 C ATOM 601 CH2 TRP A 42 8.602 4.123 4.631 1.00 0.00 C ATOM 0 H TRP A 42 8.220 6.760 -2.519 1.00 0.00 H new ATOM 0 HA TRP A 42 7.345 7.714 0.165 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.231 7.035 -0.575 1.00 0.00 H new ATOM 0 HB3 TRP A 42 9.714 7.801 0.914 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.038 4.521 -1.045 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.597 2.604 0.629 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.219 7.202 3.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.360 2.310 3.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.887 6.081 5.485 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.457 3.639 5.586 1.00 0.00 H new ATOM 612 N LYS A 43 8.434 10.020 -0.415 1.00 0.00 N ATOM 613 CA LYS A 43 8.706 11.375 -0.975 1.00 0.00 C ATOM 614 C LYS A 43 9.867 11.292 -1.967 1.00 0.00 C ATOM 615 O LYS A 43 10.953 10.865 -1.630 1.00 0.00 O ATOM 616 CB LYS A 43 9.072 12.331 0.162 1.00 0.00 C ATOM 617 CG LYS A 43 10.315 11.808 0.886 1.00 0.00 C ATOM 618 CD LYS A 43 11.486 12.761 0.644 1.00 0.00 C ATOM 619 CE LYS A 43 12.088 13.180 1.986 1.00 0.00 C ATOM 620 NZ LYS A 43 13.532 13.500 1.805 1.00 0.00 N ATOM 0 H LYS A 43 8.258 9.993 0.589 1.00 0.00 H new ATOM 0 HA LYS A 43 7.817 11.743 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.261 13.329 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.240 12.418 0.861 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.117 11.722 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.565 10.810 0.527 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.244 12.275 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.146 13.640 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.559 14.048 2.379 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.971 12.378 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.941 13.785 2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.032 12.660 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.632 14.278 1.123 1.00 0.00 H new ATOM 634 N GLY A 44 9.647 11.692 -3.188 1.00 0.00 N ATOM 635 CA GLY A 44 10.740 11.630 -4.199 1.00 0.00 C ATOM 636 C GLY A 44 11.144 10.171 -4.413 1.00 0.00 C ATOM 637 O GLY A 44 12.310 9.849 -4.527 1.00 0.00 O ATOM 0 H GLY A 44 8.759 12.059 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.407 12.069 -5.139 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.598 12.212 -3.861 1.00 0.00 H new ATOM 641 N PHE A 45 10.188 9.284 -4.466 1.00 0.00 N ATOM 642 CA PHE A 45 10.513 7.844 -4.668 1.00 0.00 C ATOM 643 C PHE A 45 9.270 7.108 -5.172 1.00 0.00 C ATOM 644 O PHE A 45 8.939 6.037 -4.703 1.00 0.00 O ATOM 645 CB PHE A 45 10.962 7.234 -3.341 1.00 0.00 C ATOM 646 CG PHE A 45 12.363 7.697 -3.021 1.00 0.00 C ATOM 647 CD1 PHE A 45 13.400 7.478 -3.937 1.00 0.00 C ATOM 648 CD2 PHE A 45 12.627 8.346 -1.807 1.00 0.00 C ATOM 649 CE1 PHE A 45 14.699 7.908 -3.640 1.00 0.00 C ATOM 650 CE2 PHE A 45 13.926 8.776 -1.511 1.00 0.00 C ATOM 651 CZ PHE A 45 14.964 8.557 -2.427 1.00 0.00 C ATOM 0 H PHE A 45 9.194 9.495 -4.378 1.00 0.00 H new ATOM 0 HA PHE A 45 11.314 7.750 -5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.279 7.529 -2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.932 6.146 -3.400 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.198 6.977 -4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.828 8.514 -1.100 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.498 7.739 -4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.128 9.277 -0.576 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.966 8.888 -2.198 1.00 0.00 H new ATOM 661 N SER A 46 8.581 7.675 -6.122 1.00 0.00 N ATOM 662 CA SER A 46 7.358 7.012 -6.659 1.00 0.00 C ATOM 663 C SER A 46 7.752 5.730 -7.387 1.00 0.00 C ATOM 664 O SER A 46 8.490 5.754 -8.351 1.00 0.00 O ATOM 665 CB SER A 46 6.664 7.954 -7.633 1.00 0.00 C ATOM 666 OG SER A 46 7.096 7.666 -8.955 1.00 0.00 O ATOM 0 H SER A 46 8.812 8.571 -6.551 1.00 0.00 H new ATOM 0 HA SER A 46 6.683 6.770 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.583 7.840 -7.559 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.893 8.989 -7.381 1.00 0.00 H new ATOM 0 HG SER A 46 7.978 7.240 -8.925 1.00 0.00 H new ATOM 672 N ASP A 47 7.277 4.606 -6.925 1.00 0.00 N ATOM 673 CA ASP A 47 7.639 3.323 -7.586 1.00 0.00 C ATOM 674 C ASP A 47 9.152 3.131 -7.501 1.00 0.00 C ATOM 675 O ASP A 47 9.720 2.275 -8.151 1.00 0.00 O ATOM 676 CB ASP A 47 7.206 3.360 -9.053 1.00 0.00 C ATOM 677 CG ASP A 47 5.801 3.958 -9.157 1.00 0.00 C ATOM 678 OD1 ASP A 47 5.672 5.155 -8.961 1.00 0.00 O ATOM 679 OD2 ASP A 47 4.879 3.208 -9.431 1.00 0.00 O ATOM 0 H ASP A 47 6.656 4.522 -6.121 1.00 0.00 H new ATOM 0 HA ASP A 47 7.134 2.496 -7.087 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.910 3.955 -9.636 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.216 2.354 -9.471 1.00 0.00 H new ATOM 684 N GLU A 48 9.810 3.925 -6.701 1.00 0.00 N ATOM 685 CA GLU A 48 11.286 3.798 -6.566 1.00 0.00 C ATOM 686 C GLU A 48 11.609 2.979 -5.317 1.00 0.00 C ATOM 687 O GLU A 48 12.365 2.029 -5.360 1.00 0.00 O ATOM 688 CB GLU A 48 11.896 5.192 -6.430 1.00 0.00 C ATOM 689 CG GLU A 48 12.376 5.676 -7.800 1.00 0.00 C ATOM 690 CD GLU A 48 13.584 6.598 -7.621 1.00 0.00 C ATOM 691 OE1 GLU A 48 14.436 6.274 -6.811 1.00 0.00 O ATOM 692 OE2 GLU A 48 13.634 7.613 -8.296 1.00 0.00 O ATOM 0 H GLU A 48 9.386 4.659 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 48 11.697 3.301 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.158 5.885 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.730 5.169 -5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.645 4.824 -8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.573 6.206 -8.312 1.00 0.00 H new ATOM 699 N ASP A 49 11.037 3.342 -4.202 1.00 0.00 N ATOM 700 CA ASP A 49 11.304 2.591 -2.945 1.00 0.00 C ATOM 701 C ASP A 49 10.225 1.523 -2.753 1.00 0.00 C ATOM 702 O ASP A 49 9.813 1.236 -1.647 1.00 0.00 O ATOM 703 CB ASP A 49 11.276 3.560 -1.763 1.00 0.00 C ATOM 704 CG ASP A 49 12.653 3.593 -1.097 1.00 0.00 C ATOM 705 OD1 ASP A 49 13.618 3.872 -1.790 1.00 0.00 O ATOM 706 OD2 ASP A 49 12.719 3.340 0.094 1.00 0.00 O ATOM 0 H ASP A 49 10.395 4.129 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 49 12.282 2.114 -3.004 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.001 4.558 -2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.519 3.250 -1.043 1.00 0.00 H new ATOM 711 N ASN A 50 9.765 0.933 -3.822 1.00 0.00 N ATOM 712 CA ASN A 50 8.713 -0.114 -3.702 1.00 0.00 C ATOM 713 C ASN A 50 9.052 -1.050 -2.541 1.00 0.00 C ATOM 714 O ASN A 50 9.804 -1.993 -2.691 1.00 0.00 O ATOM 715 CB ASN A 50 8.644 -0.920 -5.002 1.00 0.00 C ATOM 716 CG ASN A 50 10.052 -1.097 -5.570 1.00 0.00 C ATOM 717 OD1 ASN A 50 10.507 -0.295 -6.361 1.00 0.00 O ATOM 718 ND2 ASN A 50 10.768 -2.123 -5.198 1.00 0.00 N ATOM 0 H ASN A 50 10.073 1.131 -4.774 1.00 0.00 H new ATOM 0 HA ASN A 50 7.750 0.361 -3.516 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.191 -1.894 -4.815 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.010 -0.408 -5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.709 -2.251 -5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.387 -2.797 -4.534 1.00 0.00 H new ATOM 725 N THR A 51 8.505 -0.797 -1.384 1.00 0.00 N ATOM 726 CA THR A 51 8.798 -1.673 -0.215 1.00 0.00 C ATOM 727 C THR A 51 7.546 -2.474 0.147 1.00 0.00 C ATOM 728 O THR A 51 6.442 -1.967 0.119 1.00 0.00 O ATOM 729 CB THR A 51 9.213 -0.808 0.978 1.00 0.00 C ATOM 730 OG1 THR A 51 8.861 0.545 0.725 1.00 0.00 O ATOM 731 CG2 THR A 51 10.725 -0.915 1.186 1.00 0.00 C ATOM 0 H THR A 51 7.868 -0.022 -1.198 1.00 0.00 H new ATOM 0 HA THR A 51 9.608 -2.358 -0.467 1.00 0.00 H new ATOM 0 HB THR A 51 8.700 -1.155 1.875 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.430 0.903 0.012 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.020 -0.299 2.035 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.993 -1.954 1.381 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.241 -0.569 0.290 1.00 0.00 H new ATOM 739 N TRP A 52 7.710 -3.724 0.486 1.00 0.00 N ATOM 740 CA TRP A 52 6.532 -4.559 0.851 1.00 0.00 C ATOM 741 C TRP A 52 6.421 -4.646 2.374 1.00 0.00 C ATOM 742 O TRP A 52 6.971 -5.533 2.997 1.00 0.00 O ATOM 743 CB TRP A 52 6.703 -5.966 0.273 1.00 0.00 C ATOM 744 CG TRP A 52 6.626 -5.904 -1.219 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.691 -5.829 -2.051 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.444 -5.912 -2.072 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.237 -5.790 -3.353 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.868 -5.839 -3.418 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.061 -5.975 -1.813 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.963 -5.828 -4.469 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.139 -5.965 -2.875 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.591 -5.891 -4.203 1.00 0.00 C ATOM 0 H TRP A 52 8.610 -4.203 0.526 1.00 0.00 H new ATOM 0 HA TRP A 52 5.628 -4.106 0.445 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.661 -6.384 0.581 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.928 -6.627 0.661 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.727 -5.804 -1.746 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.846 -5.732 -4.169 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.707 -6.031 -0.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.316 -5.771 -5.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.080 -6.014 -2.669 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.881 -5.883 -5.017 1.00 0.00 H new ATOM 763 N GLU A 53 5.715 -3.731 2.980 1.00 0.00 N ATOM 764 CA GLU A 53 5.572 -3.762 4.463 1.00 0.00 C ATOM 765 C GLU A 53 4.281 -4.498 4.836 1.00 0.00 C ATOM 766 O GLU A 53 3.307 -4.442 4.113 1.00 0.00 O ATOM 767 CB GLU A 53 5.516 -2.330 4.998 1.00 0.00 C ATOM 768 CG GLU A 53 6.668 -1.517 4.405 1.00 0.00 C ATOM 769 CD GLU A 53 7.320 -0.677 5.505 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.708 -0.528 6.550 1.00 0.00 O ATOM 771 OE2 GLU A 53 8.421 -0.199 5.284 1.00 0.00 O ATOM 0 H GLU A 53 5.231 -2.964 2.513 1.00 0.00 H new ATOM 0 HA GLU A 53 6.425 -4.281 4.901 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.562 -1.871 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.582 -2.334 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.405 -2.184 3.957 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.299 -0.870 3.609 1.00 0.00 H new ATOM 778 N PRO A 54 4.317 -5.167 5.962 1.00 0.00 N ATOM 779 CA PRO A 54 3.164 -5.929 6.468 1.00 0.00 C ATOM 780 C PRO A 54 2.143 -4.987 7.114 1.00 0.00 C ATOM 781 O PRO A 54 2.491 -4.091 7.855 1.00 0.00 O ATOM 782 CB PRO A 54 3.783 -6.861 7.514 1.00 0.00 C ATOM 783 CG PRO A 54 5.114 -6.203 7.952 1.00 0.00 C ATOM 784 CD PRO A 54 5.511 -5.226 6.829 1.00 0.00 C ATOM 0 HA PRO A 54 2.628 -6.468 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.114 -6.988 8.365 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.959 -7.852 7.096 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.993 -5.677 8.899 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.888 -6.956 8.102 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.763 -4.243 7.227 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.384 -5.582 6.281 1.00 0.00 H new ATOM 792 N GLU A 55 0.882 -5.186 6.838 1.00 0.00 N ATOM 793 CA GLU A 55 -0.160 -4.304 7.435 1.00 0.00 C ATOM 794 C GLU A 55 -0.246 -4.566 8.941 1.00 0.00 C ATOM 795 O GLU A 55 -0.676 -3.723 9.703 1.00 0.00 O ATOM 796 CB GLU A 55 -1.514 -4.604 6.788 1.00 0.00 C ATOM 797 CG GLU A 55 -1.795 -6.107 6.863 1.00 0.00 C ATOM 798 CD GLU A 55 -3.128 -6.342 7.574 1.00 0.00 C ATOM 799 OE1 GLU A 55 -4.103 -5.721 7.183 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.152 -7.138 8.498 1.00 0.00 O ATOM 0 H GLU A 55 0.529 -5.921 6.225 1.00 0.00 H new ATOM 0 HA GLU A 55 0.103 -3.261 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.303 -4.050 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.513 -4.275 5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.826 -6.532 5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.991 -6.612 7.399 1.00 0.00 H new ATOM 807 N GLU A 56 0.161 -5.727 9.375 1.00 0.00 N ATOM 808 CA GLU A 56 0.103 -6.042 10.830 1.00 0.00 C ATOM 809 C GLU A 56 1.207 -5.280 11.565 1.00 0.00 C ATOM 810 O GLU A 56 1.310 -5.333 12.774 1.00 0.00 O ATOM 811 CB GLU A 56 0.299 -7.546 11.036 1.00 0.00 C ATOM 812 CG GLU A 56 -1.049 -8.260 10.907 1.00 0.00 C ATOM 813 CD GLU A 56 -1.173 -9.318 12.004 1.00 0.00 C ATOM 814 OE1 GLU A 56 -0.683 -9.072 13.095 1.00 0.00 O ATOM 815 OE2 GLU A 56 -1.756 -10.356 11.737 1.00 0.00 O ATOM 0 H GLU A 56 0.531 -6.472 8.784 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.868 -5.744 11.225 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.001 -7.936 10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.730 -7.736 12.019 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.863 -7.540 10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.133 -8.727 9.926 1.00 0.00 H new ATOM 822 N ASN A 57 2.035 -4.572 10.847 1.00 0.00 N ATOM 823 CA ASN A 57 3.130 -3.808 11.509 1.00 0.00 C ATOM 824 C ASN A 57 3.306 -2.459 10.809 1.00 0.00 C ATOM 825 O ASN A 57 4.258 -1.743 11.050 1.00 0.00 O ATOM 826 CB ASN A 57 4.434 -4.604 11.419 1.00 0.00 C ATOM 827 CG ASN A 57 4.743 -5.234 12.778 1.00 0.00 C ATOM 828 OD1 ASN A 57 5.219 -4.568 13.675 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.491 -6.501 12.968 1.00 0.00 N ATOM 0 H ASN A 57 2.001 -4.490 9.831 1.00 0.00 H new ATOM 0 HA ASN A 57 2.877 -3.643 12.556 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.347 -5.380 10.658 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.251 -3.950 11.115 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.694 -6.932 13.870 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.091 -7.060 12.214 1.00 0.00 H new ATOM 836 N LEU A 58 2.396 -2.108 9.944 1.00 0.00 N ATOM 837 CA LEU A 58 2.509 -0.807 9.228 1.00 0.00 C ATOM 838 C LEU A 58 1.797 0.284 10.031 1.00 0.00 C ATOM 839 O LEU A 58 1.296 0.045 11.113 1.00 0.00 O ATOM 840 CB LEU A 58 1.861 -0.929 7.848 1.00 0.00 C ATOM 841 CG LEU A 58 2.948 -0.992 6.775 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.306 -1.253 5.412 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.702 0.340 6.736 1.00 0.00 C ATOM 0 H LEU A 58 1.578 -2.667 9.702 1.00 0.00 H new ATOM 0 HA LEU A 58 3.561 -0.545 9.115 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.240 -1.824 7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.205 -0.077 7.666 1.00 0.00 H new ATOM 0 HG LEU A 58 3.643 -1.798 7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.081 -1.298 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.768 -2.200 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.611 -0.447 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.478 0.297 5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.006 1.145 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.160 0.527 7.707 1.00 0.00 H new ATOM 855 N ASP A 59 1.746 1.480 9.511 1.00 0.00 N ATOM 856 CA ASP A 59 1.065 2.584 10.245 1.00 0.00 C ATOM 857 C ASP A 59 0.286 3.451 9.255 1.00 0.00 C ATOM 858 O ASP A 59 0.001 4.603 9.514 1.00 0.00 O ATOM 859 CB ASP A 59 2.111 3.442 10.961 1.00 0.00 C ATOM 860 CG ASP A 59 3.251 2.550 11.458 1.00 0.00 C ATOM 861 OD1 ASP A 59 4.157 2.294 10.683 1.00 0.00 O ATOM 862 OD2 ASP A 59 3.197 2.140 12.606 1.00 0.00 O ATOM 0 H ASP A 59 2.146 1.740 8.610 1.00 0.00 H new ATOM 0 HA ASP A 59 0.377 2.162 10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.499 4.202 10.283 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.654 3.967 11.800 1.00 0.00 H new ATOM 867 N CYS A 60 -0.060 2.907 8.120 1.00 0.00 N ATOM 868 CA CYS A 60 -0.820 3.702 7.114 1.00 0.00 C ATOM 869 C CYS A 60 -2.091 2.943 6.718 1.00 0.00 C ATOM 870 O CYS A 60 -2.183 2.420 5.625 1.00 0.00 O ATOM 871 CB CYS A 60 0.049 3.921 5.875 1.00 0.00 C ATOM 872 SG CYS A 60 1.725 4.379 6.386 1.00 0.00 S ATOM 0 H CYS A 60 0.151 1.947 7.846 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.091 4.667 7.543 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.076 3.013 5.272 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.380 4.705 5.251 1.00 0.00 H new ATOM 0 HG CYS A 60 2.465 4.563 5.333 1.00 0.00 H new ATOM 878 N PRO A 61 -3.034 2.909 7.624 1.00 0.00 N ATOM 879 CA PRO A 61 -4.318 2.221 7.407 1.00 0.00 C ATOM 880 C PRO A 61 -5.240 3.079 6.535 1.00 0.00 C ATOM 881 O PRO A 61 -6.319 2.663 6.159 1.00 0.00 O ATOM 882 CB PRO A 61 -4.888 2.070 8.820 1.00 0.00 C ATOM 883 CG PRO A 61 -4.201 3.155 9.685 1.00 0.00 C ATOM 884 CD PRO A 61 -2.907 3.550 8.948 1.00 0.00 C ATOM 0 HA PRO A 61 -4.213 1.266 6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.970 2.202 8.819 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.688 1.074 9.215 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.853 4.019 9.813 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.978 2.773 10.681 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.814 4.632 8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.023 3.196 9.478 1.00 0.00 H new ATOM 892 N ASP A 62 -4.821 4.270 6.206 1.00 0.00 N ATOM 893 CA ASP A 62 -5.670 5.150 5.359 1.00 0.00 C ATOM 894 C ASP A 62 -5.417 4.824 3.888 1.00 0.00 C ATOM 895 O ASP A 62 -6.328 4.777 3.085 1.00 0.00 O ATOM 896 CB ASP A 62 -5.317 6.614 5.625 1.00 0.00 C ATOM 897 CG ASP A 62 -6.184 7.150 6.765 1.00 0.00 C ATOM 898 OD1 ASP A 62 -6.455 6.394 7.683 1.00 0.00 O ATOM 899 OD2 ASP A 62 -6.565 8.308 6.700 1.00 0.00 O ATOM 0 H ASP A 62 -3.926 4.671 6.488 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.721 4.985 5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.262 6.703 5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.476 7.207 4.724 1.00 0.00 H new ATOM 904 N LEU A 63 -4.185 4.590 3.528 1.00 0.00 N ATOM 905 CA LEU A 63 -3.879 4.262 2.112 1.00 0.00 C ATOM 906 C LEU A 63 -4.165 2.782 1.871 1.00 0.00 C ATOM 907 O LEU A 63 -4.430 2.363 0.763 1.00 0.00 O ATOM 908 CB LEU A 63 -2.408 4.558 1.823 1.00 0.00 C ATOM 909 CG LEU A 63 -2.028 5.907 2.434 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.588 6.256 2.050 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.971 6.990 1.905 1.00 0.00 C ATOM 0 H LEU A 63 -3.380 4.612 4.154 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.500 4.867 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.780 3.770 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.234 4.572 0.747 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.111 5.849 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.318 7.218 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.086 5.486 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.505 6.313 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.701 7.952 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.888 7.046 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.997 6.744 2.178 1.00 0.00 H new ATOM 923 N ILE A 64 -4.120 1.986 2.905 1.00 0.00 N ATOM 924 CA ILE A 64 -4.397 0.535 2.736 1.00 0.00 C ATOM 925 C ILE A 64 -5.876 0.349 2.396 1.00 0.00 C ATOM 926 O ILE A 64 -6.226 -0.339 1.458 1.00 0.00 O ATOM 927 CB ILE A 64 -4.074 -0.205 4.034 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.558 -0.252 4.233 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.620 -1.631 3.959 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.243 -0.680 5.667 1.00 0.00 C ATOM 0 H ILE A 64 -3.903 2.279 3.858 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.779 0.134 1.933 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.535 0.318 4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.110 -0.951 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.124 0.727 4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.389 -2.158 4.885 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.700 -1.600 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.160 -2.153 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.163 -0.713 5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.678 0.036 6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.664 -1.668 5.852 1.00 0.00 H new ATOM 942 N ALA A 65 -6.746 0.965 3.149 1.00 0.00 N ATOM 943 CA ALA A 65 -8.202 0.830 2.870 1.00 0.00 C ATOM 944 C ALA A 65 -8.600 1.816 1.770 1.00 0.00 C ATOM 945 O ALA A 65 -9.718 1.809 1.293 1.00 0.00 O ATOM 946 CB ALA A 65 -8.998 1.135 4.141 1.00 0.00 C ATOM 0 H ALA A 65 -6.510 1.556 3.946 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.417 -0.188 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.064 1.036 3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.713 0.434 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.785 2.153 4.468 1.00 0.00 H new ATOM 952 N GLU A 66 -7.695 2.665 1.362 1.00 0.00 N ATOM 953 CA GLU A 66 -8.027 3.647 0.293 1.00 0.00 C ATOM 954 C GLU A 66 -7.593 3.085 -1.061 1.00 0.00 C ATOM 955 O GLU A 66 -8.119 3.450 -2.094 1.00 0.00 O ATOM 956 CB GLU A 66 -7.291 4.962 0.560 1.00 0.00 C ATOM 957 CG GLU A 66 -7.625 5.967 -0.545 1.00 0.00 C ATOM 958 CD GLU A 66 -6.597 5.849 -1.671 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.480 5.448 -1.388 1.00 0.00 O ATOM 960 OE2 GLU A 66 -6.943 6.162 -2.798 1.00 0.00 O ATOM 0 H GLU A 66 -6.742 2.720 1.723 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.102 3.830 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.581 5.363 1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.215 4.788 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.627 5.779 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.624 6.980 -0.142 1.00 0.00 H new ATOM 967 N PHE A 67 -6.637 2.197 -1.064 1.00 0.00 N ATOM 968 CA PHE A 67 -6.168 1.610 -2.350 1.00 0.00 C ATOM 969 C PHE A 67 -6.718 0.189 -2.490 1.00 0.00 C ATOM 970 O PHE A 67 -6.834 -0.336 -3.580 1.00 0.00 O ATOM 971 CB PHE A 67 -4.639 1.570 -2.364 1.00 0.00 C ATOM 972 CG PHE A 67 -4.167 0.809 -3.579 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.141 -0.591 -3.563 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.753 1.504 -4.725 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.703 -1.298 -4.691 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.314 0.798 -5.852 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.289 -0.603 -5.836 1.00 0.00 C ATOM 0 H PHE A 67 -6.160 1.853 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.522 2.221 -3.181 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.238 2.584 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.269 1.093 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.459 -1.126 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.773 2.584 -4.738 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.684 -2.378 -4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.995 1.334 -6.734 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.951 -1.147 -6.705 1.00 0.00 H new ATOM 987 N LEU A 68 -7.056 -0.438 -1.397 1.00 0.00 N ATOM 988 CA LEU A 68 -7.595 -1.824 -1.474 1.00 0.00 C ATOM 989 C LEU A 68 -9.084 -1.774 -1.835 1.00 0.00 C ATOM 990 O LEU A 68 -9.639 -2.720 -2.357 1.00 0.00 O ATOM 991 CB LEU A 68 -7.391 -2.532 -0.122 1.00 0.00 C ATOM 992 CG LEU A 68 -8.551 -2.223 0.834 1.00 0.00 C ATOM 993 CD1 LEU A 68 -9.736 -3.139 0.516 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.099 -2.469 2.276 1.00 0.00 C ATOM 0 H LEU A 68 -6.982 -0.051 -0.456 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.065 -2.383 -2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.318 -3.608 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.450 -2.210 0.324 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.851 -1.182 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.559 -2.918 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.059 -2.972 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.434 -4.179 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.921 -2.250 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.800 -3.511 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.254 -1.821 2.508 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.733 -0.675 -1.561 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.182 -0.565 -1.887 1.00 0.00 C ATOM 1008 C GLN A 69 -11.346 -0.176 -3.357 1.00 0.00 C ATOM 1009 O GLN A 69 -12.224 -0.662 -4.042 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.826 0.504 -1.002 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.304 0.168 -0.792 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.851 0.981 0.384 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -14.453 2.019 0.192 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -13.665 0.549 1.601 1.00 0.00 N ATOM 0 H GLN A 69 -9.322 0.151 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.667 -1.524 -1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.313 0.554 -0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.727 1.485 -1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.870 0.391 -1.696 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.421 -0.898 -0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.160 -0.322 1.761 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.025 1.083 2.392 1.00 0.00 H new ATOM 1023 N SER A 70 -10.509 0.696 -3.850 1.00 0.00 N ATOM 1024 CA SER A 70 -10.624 1.107 -5.277 1.00 0.00 C ATOM 1025 C SER A 70 -10.700 -0.140 -6.157 1.00 0.00 C ATOM 1026 O SER A 70 -11.179 -0.097 -7.272 1.00 0.00 O ATOM 1027 CB SER A 70 -9.407 1.937 -5.678 1.00 0.00 C ATOM 1028 OG SER A 70 -9.096 2.851 -4.633 1.00 0.00 O ATOM 0 H SER A 70 -9.753 1.140 -3.328 1.00 0.00 H new ATOM 0 HA SER A 70 -11.525 1.706 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.555 1.285 -5.872 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.610 2.479 -6.602 1.00 0.00 H new ATOM 0 HG SER A 70 -8.314 3.384 -4.887 1.00 0.00 H new ATOM 1034 N GLN A 71 -10.232 -1.255 -5.666 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.287 -2.499 -6.480 1.00 0.00 C ATOM 1036 C GLN A 71 -11.740 -2.779 -6.857 1.00 0.00 C ATOM 1037 O GLN A 71 -12.076 -2.913 -8.016 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.729 -3.669 -5.667 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.224 -3.789 -5.910 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.973 -4.663 -7.140 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -7.960 -5.874 -7.048 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -7.769 -4.094 -8.297 1.00 0.00 N ATOM 0 H GLN A 71 -9.816 -1.357 -4.740 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.690 -2.378 -7.384 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.925 -3.514 -4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.229 -4.595 -5.952 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.789 -2.801 -6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.738 -4.224 -5.037 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.780 -3.077 -8.374 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.599 -4.666 -9.124 1.00 0.00 H new ATOM 1051 N LYS A 72 -12.608 -2.857 -5.887 1.00 0.00 N ATOM 1052 CA LYS A 72 -14.041 -3.113 -6.197 1.00 0.00 C ATOM 1053 C LYS A 72 -14.499 -2.105 -7.249 1.00 0.00 C ATOM 1054 O LYS A 72 -15.446 -2.330 -7.975 1.00 0.00 O ATOM 1055 CB LYS A 72 -14.878 -2.947 -4.927 1.00 0.00 C ATOM 1056 CG LYS A 72 -14.178 -3.643 -3.758 1.00 0.00 C ATOM 1057 CD LYS A 72 -15.123 -4.674 -3.138 1.00 0.00 C ATOM 1058 CE LYS A 72 -14.384 -5.454 -2.049 1.00 0.00 C ATOM 1059 NZ LYS A 72 -13.990 -4.524 -0.953 1.00 0.00 N ATOM 0 H LYS A 72 -12.388 -2.755 -4.896 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.166 -4.128 -6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.014 -1.889 -4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.871 -3.372 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.267 -4.131 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.881 -2.909 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.995 -4.175 -2.715 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.487 -5.357 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.022 -6.246 -1.657 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.500 -5.935 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.754 -5.072 -0.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.161 -3.970 -1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.779 -3.880 -0.743 1.00 0.00 H new ATOM 1073 N THR A 73 -13.821 -0.993 -7.337 1.00 0.00 N ATOM 1074 CA THR A 73 -14.197 0.039 -8.341 1.00 0.00 C ATOM 1075 C THR A 73 -13.010 0.267 -9.289 1.00 0.00 C ATOM 1076 O THR A 73 -12.377 -0.672 -9.730 1.00 0.00 O ATOM 1077 CB THR A 73 -14.575 1.338 -7.614 1.00 0.00 C ATOM 1078 OG1 THR A 73 -15.137 2.255 -8.541 1.00 0.00 O ATOM 1079 CG2 THR A 73 -13.334 1.954 -6.963 1.00 0.00 C ATOM 0 H THR A 73 -13.019 -0.755 -6.753 1.00 0.00 H new ATOM 0 HA THR A 73 -15.055 -0.292 -8.926 1.00 0.00 H new ATOM 0 HB THR A 73 -15.307 1.114 -6.838 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.740 3.141 -8.406 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.611 2.875 -6.450 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.913 1.251 -6.244 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.593 2.176 -7.731 1.00 0.00 H new ATOM 1087 N ALA A 74 -12.697 1.494 -9.613 1.00 0.00 N ATOM 1088 CA ALA A 74 -11.552 1.748 -10.532 1.00 0.00 C ATOM 1089 C ALA A 74 -11.766 0.977 -11.836 1.00 0.00 C ATOM 1090 O ALA A 74 -10.828 0.650 -12.537 1.00 0.00 O ATOM 1091 CB ALA A 74 -10.253 1.281 -9.872 1.00 0.00 C ATOM 0 H ALA A 74 -13.183 2.327 -9.282 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.487 2.815 -10.745 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.416 1.467 -10.545 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.100 1.829 -8.942 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.317 0.214 -9.658 1.00 0.00 H new ATOM 1097 N HIS A 75 -12.993 0.684 -12.168 1.00 0.00 N ATOM 1098 CA HIS A 75 -13.266 -0.066 -13.426 1.00 0.00 C ATOM 1099 C HIS A 75 -14.767 -0.035 -13.725 1.00 0.00 C ATOM 1100 O HIS A 75 -15.480 -0.983 -13.462 1.00 0.00 O ATOM 1101 CB HIS A 75 -12.808 -1.516 -13.264 1.00 0.00 C ATOM 1102 CG HIS A 75 -13.021 -2.257 -14.555 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -12.265 -2.001 -15.688 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -13.902 -3.250 -14.909 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -12.700 -2.823 -16.660 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -13.697 -3.606 -16.238 1.00 0.00 N ATOM 0 H HIS A 75 -13.818 0.932 -11.622 1.00 0.00 H new ATOM 0 HA HIS A 75 -12.723 0.397 -14.250 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.755 -1.547 -12.984 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.365 -1.997 -12.460 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -14.641 -3.688 -14.255 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -12.293 -2.847 -17.660 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -14.200 -4.313 -16.775 1.00 0.00 H new ATOM 1114 N GLU A 76 -15.250 1.046 -14.272 1.00 0.00 N ATOM 1115 CA GLU A 76 -16.703 1.136 -14.587 1.00 0.00 C ATOM 1116 C GLU A 76 -17.022 2.531 -15.129 1.00 0.00 C ATOM 1117 O GLU A 76 -17.283 2.707 -16.303 1.00 0.00 O ATOM 1118 CB GLU A 76 -17.518 0.882 -13.318 1.00 0.00 C ATOM 1119 CG GLU A 76 -18.727 0.005 -13.652 1.00 0.00 C ATOM 1120 CD GLU A 76 -19.831 0.871 -14.261 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -19.681 2.081 -14.251 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -20.809 0.308 -14.725 1.00 0.00 O ATOM 0 H GLU A 76 -14.701 1.871 -14.514 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.959 0.388 -15.337 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.898 0.393 -12.567 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.849 1.828 -12.891 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.438 -0.780 -14.351 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.092 -0.488 -12.751 1.00 0.00 H new ATOM 1129 N THR A 77 -17.003 3.525 -14.283 1.00 0.00 N ATOM 1130 CA THR A 77 -17.304 4.906 -14.751 1.00 0.00 C ATOM 1131 C THR A 77 -16.069 5.493 -15.436 1.00 0.00 C ATOM 1132 O THR A 77 -15.098 5.840 -14.794 1.00 0.00 O ATOM 1133 CB THR A 77 -17.687 5.780 -13.554 1.00 0.00 C ATOM 1134 OG1 THR A 77 -16.565 5.914 -12.692 1.00 0.00 O ATOM 1135 CG2 THR A 77 -18.843 5.130 -12.793 1.00 0.00 C ATOM 0 H THR A 77 -16.792 3.440 -13.289 1.00 0.00 H new ATOM 0 HA THR A 77 -18.133 4.876 -15.458 1.00 0.00 H new ATOM 0 HB THR A 77 -17.997 6.764 -13.906 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.769 6.128 -13.222 1.00 0.00 H new ATOM 0 HG21 THR A 77 -19.114 5.754 -11.941 1.00 0.00 H new ATOM 0 HG22 THR A 77 -19.702 5.027 -13.455 1.00 0.00 H new ATOM 0 HG23 THR A 77 -18.538 4.145 -12.439 1.00 0.00 H new ATOM 1143 N ASP A 78 -16.095 5.607 -16.736 1.00 0.00 N ATOM 1144 CA ASP A 78 -14.921 6.171 -17.458 1.00 0.00 C ATOM 1145 C ASP A 78 -15.401 6.977 -18.668 1.00 0.00 C ATOM 1146 O ASP A 78 -16.418 6.677 -19.262 1.00 0.00 O ATOM 1147 CB ASP A 78 -14.017 5.030 -17.932 1.00 0.00 C ATOM 1148 CG ASP A 78 -12.557 5.485 -17.894 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -12.331 6.684 -17.892 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -11.691 4.627 -17.870 1.00 0.00 O ATOM 0 H ASP A 78 -16.879 5.334 -17.329 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.363 6.823 -16.787 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.153 4.156 -17.295 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.290 4.732 -18.944 1.00 0.00 H new ATOM 1155 N LYS A 79 -14.676 7.997 -19.038 1.00 0.00 N ATOM 1156 CA LYS A 79 -15.089 8.822 -20.208 1.00 0.00 C ATOM 1157 C LYS A 79 -16.405 9.535 -19.892 1.00 0.00 C ATOM 1158 O LYS A 79 -17.102 9.993 -20.777 1.00 0.00 O ATOM 1159 CB LYS A 79 -15.278 7.919 -21.429 1.00 0.00 C ATOM 1160 CG LYS A 79 -15.077 8.739 -22.705 1.00 0.00 C ATOM 1161 CD LYS A 79 -14.921 7.796 -23.900 1.00 0.00 C ATOM 1162 CE LYS A 79 -14.140 8.502 -25.010 1.00 0.00 C ATOM 1163 NZ LYS A 79 -12.963 7.674 -25.394 1.00 0.00 N ATOM 0 H LYS A 79 -13.815 8.295 -18.580 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.317 9.562 -20.420 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.566 7.094 -21.398 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.276 7.480 -21.419 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.927 9.403 -22.861 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.194 9.370 -22.609 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.400 6.889 -23.595 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -15.901 7.492 -24.267 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.783 8.663 -25.876 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.812 9.484 -24.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.432 8.154 -26.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.346 7.542 -24.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.287 6.747 -25.735 1.00 0.00 H new ATOM 1177 N SER A 80 -16.753 9.633 -18.638 1.00 0.00 N ATOM 1178 CA SER A 80 -18.023 10.318 -18.269 1.00 0.00 C ATOM 1179 C SER A 80 -17.719 11.747 -17.813 1.00 0.00 C ATOM 1180 O SER A 80 -16.663 12.247 -18.163 1.00 0.00 O ATOM 1181 CB SER A 80 -18.701 9.554 -17.131 1.00 0.00 C ATOM 1182 OG SER A 80 -19.929 9.010 -17.598 1.00 0.00 O ATOM 1183 OXT SER A 80 -18.549 12.316 -17.123 1.00 0.00 O ATOM 0 H SER A 80 -16.213 9.268 -17.854 1.00 0.00 H new ATOM 0 HA SER A 80 -18.685 10.346 -19.134 1.00 0.00 H new ATOM 0 HB2 SER A 80 -18.049 8.757 -16.773 1.00 0.00 H new ATOM 0 HB3 SER A 80 -18.882 10.220 -16.287 1.00 0.00 H new ATOM 0 HG SER A 80 -20.366 8.518 -16.872 1.00 0.00 H new TER 1189 SER A 80