USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 45 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Set 2.1: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 79 THR OG1 : rot -170:sc=-0.00256 USER MOD Single : A 40 ASN : amide:sc= -1.14 K(o=-1.1,f=-3!) USER MOD Single : A 43 TYR OH : rot 165:sc= -1.83! USER MOD Single : A 49 MET CE :methyl -152:sc= -0.288 (180deg=-1.66!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.509 K(o=-0.51,f=-5.4!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -172:sc= -3.89! (180deg=-4.37!) USER MOD Single : A 75 CYS SG : rot 93:sc= -1.72 USER MOD Single : A 80 TYR OH : rot 154:sc= -6.25! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -105:sc= -0.282! USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 94 ASN : amide:sc= -0.734 K(o=-0.73,f=-6.4!) USER MOD Single : A 96 THR OG1 : rot -92:sc= 0.604 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 21.964 22.349 14.454 1.00 0.00 N ATOM 79 CA ASN A 40 21.269 21.503 13.442 1.00 0.00 C ATOM 80 C ASN A 40 22.291 20.964 12.436 1.00 0.00 C ATOM 81 O ASN A 40 22.998 21.714 11.793 1.00 0.00 O ATOM 82 CB ASN A 40 20.225 22.344 12.704 1.00 0.00 C ATOM 83 CG ASN A 40 19.415 21.445 11.767 1.00 0.00 C ATOM 84 OD1 ASN A 40 19.531 20.236 11.814 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.594 21.987 10.910 1.00 0.00 N ATOM 0 HA ASN A 40 20.778 20.669 13.943 1.00 0.00 H new ATOM 0 HB2 ASN A 40 19.563 22.831 13.420 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.715 23.133 12.134 1.00 0.00 H new ATOM 0 HD21 ASN A 40 18.051 21.396 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.496 23.001 10.869 1.00 0.00 H new ATOM 92 N THR A 41 22.374 19.669 12.296 1.00 0.00 N ATOM 93 CA THR A 41 23.350 19.082 11.332 1.00 0.00 C ATOM 94 C THR A 41 22.770 19.142 9.918 1.00 0.00 C ATOM 95 O THR A 41 21.602 18.884 9.706 1.00 0.00 O ATOM 96 CB THR A 41 23.627 17.625 11.709 1.00 0.00 C ATOM 97 OG1 THR A 41 24.030 17.558 13.070 1.00 0.00 O ATOM 98 CG2 THR A 41 24.737 17.068 10.817 1.00 0.00 C ATOM 0 H THR A 41 21.808 18.991 12.807 1.00 0.00 H new ATOM 0 HA THR A 41 24.280 19.649 11.367 1.00 0.00 H new ATOM 0 HB THR A 41 22.722 17.034 11.569 1.00 0.00 H new ATOM 0 HG1 THR A 41 24.206 16.625 13.313 1.00 0.00 H new ATOM 0 HG21 THR A 41 24.934 16.030 11.086 1.00 0.00 H new ATOM 0 HG22 THR A 41 24.426 17.120 9.774 1.00 0.00 H new ATOM 0 HG23 THR A 41 25.644 17.657 10.954 1.00 0.00 H new ATOM 106 N LEU A 42 23.576 19.476 8.947 1.00 0.00 N ATOM 107 CA LEU A 42 23.068 19.550 7.548 1.00 0.00 C ATOM 108 C LEU A 42 23.843 18.570 6.668 1.00 0.00 C ATOM 109 O LEU A 42 24.994 18.269 6.919 1.00 0.00 O ATOM 110 CB LEU A 42 23.254 20.970 7.011 1.00 0.00 C ATOM 111 CG LEU A 42 22.920 21.980 8.110 1.00 0.00 C ATOM 112 CD1 LEU A 42 23.000 23.398 7.542 1.00 0.00 C ATOM 113 CD2 LEU A 42 21.505 21.719 8.629 1.00 0.00 C ATOM 0 H LEU A 42 24.564 19.701 9.062 1.00 0.00 H new ATOM 0 HA LEU A 42 22.009 19.291 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.281 21.111 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 42 22.609 21.131 6.147 1.00 0.00 H new ATOM 0 HG LEU A 42 23.633 21.875 8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.762 24.118 8.325 1.00 0.00 H new ATOM 0 HD12 LEU A 42 24.008 23.585 7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.287 23.503 6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 42 21.266 22.438 9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 42 20.792 21.823 7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.447 20.709 9.034 1.00 0.00 H new ATOM 125 N TYR A 43 23.222 18.069 5.634 1.00 0.00 N ATOM 126 CA TYR A 43 23.922 17.110 4.734 1.00 0.00 C ATOM 127 C TYR A 43 24.272 17.811 3.421 1.00 0.00 C ATOM 128 O TYR A 43 23.419 18.361 2.754 1.00 0.00 O ATOM 129 CB TYR A 43 23.006 15.918 4.447 1.00 0.00 C ATOM 130 CG TYR A 43 23.702 14.966 3.505 1.00 0.00 C ATOM 131 CD1 TYR A 43 24.517 13.948 4.015 1.00 0.00 C ATOM 132 CD2 TYR A 43 23.533 15.100 2.122 1.00 0.00 C ATOM 133 CE1 TYR A 43 25.163 13.065 3.142 1.00 0.00 C ATOM 134 CE2 TYR A 43 24.179 14.218 1.249 1.00 0.00 C ATOM 135 CZ TYR A 43 24.994 13.200 1.758 1.00 0.00 C ATOM 136 OH TYR A 43 25.632 12.330 0.898 1.00 0.00 O ATOM 0 H TYR A 43 22.259 18.283 5.374 1.00 0.00 H new ATOM 0 HA TYR A 43 24.835 16.758 5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.753 15.408 5.376 1.00 0.00 H new ATOM 0 HB3 TYR A 43 22.070 16.262 4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.647 13.844 5.082 1.00 0.00 H new ATOM 0 HD2 TYR A 43 22.904 15.885 1.729 1.00 0.00 H new ATOM 0 HE1 TYR A 43 25.792 12.280 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 43 24.049 14.323 0.182 1.00 0.00 H new ATOM 0 HH TYR A 43 25.233 12.400 0.006 1.00 0.00 H new ATOM 146 N VAL A 44 25.521 17.796 3.043 1.00 0.00 N ATOM 147 CA VAL A 44 25.921 18.464 1.773 1.00 0.00 C ATOM 148 C VAL A 44 26.590 17.444 0.849 1.00 0.00 C ATOM 149 O VAL A 44 27.389 16.634 1.276 1.00 0.00 O ATOM 150 CB VAL A 44 26.902 19.596 2.079 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.418 20.193 0.768 1.00 0.00 C ATOM 152 CG2 VAL A 44 26.191 20.683 2.889 1.00 0.00 C ATOM 0 H VAL A 44 26.280 17.351 3.558 1.00 0.00 H new ATOM 0 HA VAL A 44 25.037 18.873 1.283 1.00 0.00 H new ATOM 0 HB VAL A 44 27.740 19.204 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.117 21.000 0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.925 19.420 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.580 20.585 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 44 26.890 21.490 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.352 21.075 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 44 25.824 20.259 3.823 1.00 0.00 H new ATOM 162 N TYR A 45 26.271 17.479 -0.416 1.00 0.00 N ATOM 163 CA TYR A 45 26.890 16.513 -1.367 1.00 0.00 C ATOM 164 C TYR A 45 27.633 17.281 -2.460 1.00 0.00 C ATOM 165 O TYR A 45 27.121 18.229 -3.025 1.00 0.00 O ATOM 166 CB TYR A 45 25.795 15.651 -2.000 1.00 0.00 C ATOM 167 CG TYR A 45 26.431 14.602 -2.880 1.00 0.00 C ATOM 168 CD1 TYR A 45 26.882 13.400 -2.322 1.00 0.00 C ATOM 169 CD2 TYR A 45 26.569 14.830 -4.254 1.00 0.00 C ATOM 170 CE1 TYR A 45 27.472 12.427 -3.137 1.00 0.00 C ATOM 171 CE2 TYR A 45 27.158 13.858 -5.070 1.00 0.00 C ATOM 172 CZ TYR A 45 27.610 12.655 -4.511 1.00 0.00 C ATOM 173 OH TYR A 45 28.192 11.696 -5.314 1.00 0.00 O ATOM 0 H TYR A 45 25.609 18.134 -0.832 1.00 0.00 H new ATOM 0 HA TYR A 45 27.592 15.873 -0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 45 25.196 15.176 -1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 45 25.120 16.274 -2.587 1.00 0.00 H new ATOM 0 HD1 TYR A 45 26.775 13.223 -1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 45 26.221 15.757 -4.685 1.00 0.00 H new ATOM 0 HE1 TYR A 45 27.821 11.500 -2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 45 27.264 14.035 -6.130 1.00 0.00 H new ATOM 0 HH TYR A 45 28.209 12.012 -6.241 1.00 0.00 H new ATOM 183 N GLY A 46 28.838 16.882 -2.764 1.00 0.00 N ATOM 184 CA GLY A 46 29.613 17.591 -3.821 1.00 0.00 C ATOM 185 C GLY A 46 30.939 16.865 -4.055 1.00 0.00 C ATOM 186 O GLY A 46 31.195 15.821 -3.487 1.00 0.00 O ATOM 0 H GLY A 46 29.319 16.096 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 46 29.038 17.627 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.799 18.622 -3.521 1.00 0.00 H new ATOM 190 N GLU A 47 31.785 17.407 -4.887 1.00 0.00 N ATOM 191 CA GLU A 47 33.094 16.747 -5.156 1.00 0.00 C ATOM 192 C GLU A 47 34.231 17.705 -4.796 1.00 0.00 C ATOM 193 O GLU A 47 34.113 18.906 -4.943 1.00 0.00 O ATOM 194 CB GLU A 47 33.184 16.382 -6.639 1.00 0.00 C ATOM 195 CG GLU A 47 32.083 15.377 -6.984 1.00 0.00 C ATOM 196 CD GLU A 47 32.261 14.900 -8.428 1.00 0.00 C ATOM 197 OE1 GLU A 47 33.109 15.450 -9.111 1.00 0.00 O ATOM 198 OE2 GLU A 47 31.545 13.995 -8.824 1.00 0.00 O ATOM 0 H GLU A 47 31.627 18.279 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 47 33.177 15.843 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 47 33.079 17.277 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 47 34.163 15.956 -6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 47 32.124 14.528 -6.302 1.00 0.00 H new ATOM 0 HG3 GLU A 47 31.103 15.838 -6.860 1.00 0.00 H new ATOM 205 N ASP A 48 35.331 17.185 -4.324 1.00 0.00 N ATOM 206 CA ASP A 48 36.474 18.067 -3.954 1.00 0.00 C ATOM 207 C ASP A 48 35.965 19.231 -3.100 1.00 0.00 C ATOM 208 O ASP A 48 36.213 20.383 -3.394 1.00 0.00 O ATOM 209 CB ASP A 48 37.127 18.616 -5.224 1.00 0.00 C ATOM 210 CG ASP A 48 38.412 19.360 -4.855 1.00 0.00 C ATOM 211 OD1 ASP A 48 38.779 19.327 -3.693 1.00 0.00 O ATOM 212 OD2 ASP A 48 39.006 19.951 -5.742 1.00 0.00 O ATOM 0 H ASP A 48 35.488 16.188 -4.179 1.00 0.00 H new ATOM 0 HA ASP A 48 37.207 17.493 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 48 37.351 17.801 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 48 36.440 19.288 -5.738 1.00 0.00 H new ATOM 217 N MET A 49 35.254 18.939 -2.045 1.00 0.00 N ATOM 218 CA MET A 49 34.729 20.029 -1.175 1.00 0.00 C ATOM 219 C MET A 49 35.685 20.249 -0.001 1.00 0.00 C ATOM 220 O MET A 49 36.186 19.312 0.589 1.00 0.00 O ATOM 221 CB MET A 49 33.350 19.638 -0.644 1.00 0.00 C ATOM 222 CG MET A 49 32.361 19.550 -1.808 1.00 0.00 C ATOM 223 SD MET A 49 30.693 19.270 -1.163 1.00 0.00 S ATOM 224 CE MET A 49 31.046 17.728 -0.285 1.00 0.00 C ATOM 0 H MET A 49 35.014 17.993 -1.748 1.00 0.00 H new ATOM 0 HA MET A 49 34.647 20.949 -1.754 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.406 18.680 -0.127 1.00 0.00 H new ATOM 0 HB3 MET A 49 33.007 20.373 0.084 1.00 0.00 H new ATOM 0 HG2 MET A 49 32.387 20.470 -2.392 1.00 0.00 H new ATOM 0 HG3 MET A 49 32.644 18.739 -2.479 1.00 0.00 H new ATOM 0 HE1 MET A 49 30.141 17.123 -0.235 1.00 0.00 H new ATOM 0 HE2 MET A 49 31.822 17.177 -0.816 1.00 0.00 H new ATOM 0 HE3 MET A 49 31.388 17.954 0.725 1.00 0.00 H new ATOM 234 N THR A 50 35.941 21.482 0.345 1.00 0.00 N ATOM 235 CA THR A 50 36.864 21.760 1.481 1.00 0.00 C ATOM 236 C THR A 50 36.070 22.335 2.654 1.00 0.00 C ATOM 237 O THR A 50 34.964 22.813 2.492 1.00 0.00 O ATOM 238 CB THR A 50 37.926 22.771 1.041 1.00 0.00 C ATOM 239 OG1 THR A 50 37.679 23.158 -0.304 1.00 0.00 O ATOM 240 CG2 THR A 50 39.313 22.134 1.143 1.00 0.00 C ATOM 0 H THR A 50 35.551 22.307 -0.110 1.00 0.00 H new ATOM 0 HA THR A 50 37.349 20.834 1.789 1.00 0.00 H new ATOM 0 HB THR A 50 37.883 23.648 1.687 1.00 0.00 H new ATOM 0 HG1 THR A 50 38.357 23.807 -0.587 1.00 0.00 H new ATOM 0 HG21 THR A 50 40.068 22.855 0.829 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.502 21.836 2.174 1.00 0.00 H new ATOM 0 HG23 THR A 50 39.359 21.257 0.498 1.00 0.00 H new ATOM 248 N PRO A 51 36.651 22.286 3.862 1.00 0.00 N ATOM 249 CA PRO A 51 36.004 22.800 5.076 1.00 0.00 C ATOM 250 C PRO A 51 35.918 24.329 5.067 1.00 0.00 C ATOM 251 O PRO A 51 34.863 24.902 5.254 1.00 0.00 O ATOM 252 CB PRO A 51 36.931 22.336 6.198 1.00 0.00 C ATOM 253 CG PRO A 51 38.261 22.172 5.545 1.00 0.00 C ATOM 254 CD PRO A 51 37.985 21.723 4.137 1.00 0.00 C ATOM 0 HA PRO A 51 34.979 22.444 5.177 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.973 23.068 7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 51 36.586 21.399 6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.817 23.110 5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 51 38.867 21.438 6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 51 38.733 22.100 3.440 1.00 0.00 H new ATOM 0 HD3 PRO A 51 37.989 20.636 4.052 1.00 0.00 H new ATOM 262 N THR A 52 37.021 24.992 4.850 1.00 0.00 N ATOM 263 CA THR A 52 37.002 26.482 4.829 1.00 0.00 C ATOM 264 C THR A 52 35.988 26.962 3.790 1.00 0.00 C ATOM 265 O THR A 52 35.211 27.864 4.037 1.00 0.00 O ATOM 266 CB THR A 52 38.394 27.004 4.464 1.00 0.00 C ATOM 267 OG1 THR A 52 39.355 26.441 5.346 1.00 0.00 O ATOM 268 CG2 THR A 52 38.418 28.528 4.586 1.00 0.00 C ATOM 0 H THR A 52 37.934 24.567 4.687 1.00 0.00 H new ATOM 0 HA THR A 52 36.720 26.857 5.813 1.00 0.00 H new ATOM 0 HB THR A 52 38.631 26.721 3.439 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.247 26.773 5.113 1.00 0.00 H new ATOM 0 HG21 THR A 52 39.410 28.898 4.326 1.00 0.00 H new ATOM 0 HG22 THR A 52 37.681 28.959 3.909 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.181 28.815 5.611 1.00 0.00 H new ATOM 276 N LEU A 53 35.987 26.367 2.629 1.00 0.00 N ATOM 277 CA LEU A 53 35.021 26.789 1.575 1.00 0.00 C ATOM 278 C LEU A 53 33.593 26.589 2.085 1.00 0.00 C ATOM 279 O LEU A 53 32.750 27.453 1.956 1.00 0.00 O ATOM 280 CB LEU A 53 35.239 25.946 0.316 1.00 0.00 C ATOM 281 CG LEU A 53 34.452 26.547 -0.851 1.00 0.00 C ATOM 282 CD1 LEU A 53 32.955 26.308 -0.637 1.00 0.00 C ATOM 283 CD2 LEU A 53 34.722 28.051 -0.931 1.00 0.00 C ATOM 0 H LEU A 53 36.613 25.607 2.364 1.00 0.00 H new ATOM 0 HA LEU A 53 35.177 27.841 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.300 25.909 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 53 34.917 24.920 0.494 1.00 0.00 H new ATOM 0 HG LEU A 53 34.766 26.072 -1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 53 32.396 26.736 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.762 25.237 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.640 26.781 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 53 34.161 28.478 -1.762 1.00 0.00 H new ATOM 0 HD22 LEU A 53 34.410 28.527 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 53 35.787 28.222 -1.087 1.00 0.00 H new ATOM 295 N LEU A 54 33.315 25.453 2.665 1.00 0.00 N ATOM 296 CA LEU A 54 31.941 25.198 3.181 1.00 0.00 C ATOM 297 C LEU A 54 31.619 26.206 4.285 1.00 0.00 C ATOM 298 O LEU A 54 30.570 26.820 4.292 1.00 0.00 O ATOM 299 CB LEU A 54 31.865 23.780 3.749 1.00 0.00 C ATOM 300 CG LEU A 54 31.966 22.768 2.607 1.00 0.00 C ATOM 301 CD1 LEU A 54 32.354 21.400 3.172 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.615 22.661 1.897 1.00 0.00 C ATOM 0 H LEU A 54 33.980 24.692 2.803 1.00 0.00 H new ATOM 0 HA LEU A 54 31.221 25.303 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 54 32.672 23.619 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 54 30.928 23.643 4.289 1.00 0.00 H new ATOM 0 HG LEU A 54 32.724 23.097 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.426 20.678 2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 54 33.317 21.475 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 54 31.596 21.071 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.688 21.940 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.856 22.332 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.337 23.635 1.494 1.00 0.00 H new ATOM 314 N ARG A 55 32.513 26.382 5.220 1.00 0.00 N ATOM 315 CA ARG A 55 32.256 27.352 6.321 1.00 0.00 C ATOM 316 C ARG A 55 31.776 28.678 5.728 1.00 0.00 C ATOM 317 O ARG A 55 30.888 29.319 6.254 1.00 0.00 O ATOM 318 CB ARG A 55 33.547 27.581 7.110 1.00 0.00 C ATOM 319 CG ARG A 55 33.903 26.312 7.886 1.00 0.00 C ATOM 320 CD ARG A 55 35.155 26.563 8.726 1.00 0.00 C ATOM 321 NE ARG A 55 35.673 25.265 9.247 1.00 0.00 N ATOM 322 CZ ARG A 55 35.949 25.134 10.516 1.00 0.00 C ATOM 323 NH1 ARG A 55 35.177 25.686 11.412 1.00 0.00 N ATOM 324 NH2 ARG A 55 36.997 24.453 10.888 1.00 0.00 N ATOM 0 H ARG A 55 33.409 25.897 5.269 1.00 0.00 H new ATOM 0 HA ARG A 55 31.490 26.954 6.987 1.00 0.00 H new ATOM 0 HB2 ARG A 55 34.358 27.845 6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 55 33.422 28.417 7.798 1.00 0.00 H new ATOM 0 HG2 ARG A 55 33.073 26.021 8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 55 34.075 25.487 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 55 35.918 27.055 8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 55 34.922 27.232 9.554 1.00 0.00 H new ATOM 0 HE ARG A 55 35.812 24.479 8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 55 34.358 26.220 11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 55 35.393 25.584 12.404 1.00 0.00 H new ATOM 0 HH21 ARG A 55 37.601 24.023 10.187 1.00 0.00 H new ATOM 0 HH22 ARG A 55 37.213 24.350 11.880 1.00 0.00 H new ATOM 338 N GLY A 56 32.354 29.091 4.634 1.00 0.00 N ATOM 339 CA GLY A 56 31.929 30.374 4.006 1.00 0.00 C ATOM 340 C GLY A 56 30.520 30.214 3.432 1.00 0.00 C ATOM 341 O GLY A 56 29.725 31.134 3.446 1.00 0.00 O ATOM 0 H GLY A 56 33.102 28.596 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 56 31.944 31.176 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.626 30.654 3.216 1.00 0.00 H new ATOM 345 N ALA A 57 30.203 29.052 2.930 1.00 0.00 N ATOM 346 CA ALA A 57 28.846 28.834 2.358 1.00 0.00 C ATOM 347 C ALA A 57 27.817 28.791 3.491 1.00 0.00 C ATOM 348 O ALA A 57 26.653 29.070 3.295 1.00 0.00 O ATOM 349 CB ALA A 57 28.820 27.508 1.595 1.00 0.00 C ATOM 0 H ALA A 57 30.825 28.245 2.892 1.00 0.00 H new ATOM 0 HA ALA A 57 28.604 29.649 1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 57 27.826 27.349 1.176 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.553 27.538 0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.062 26.692 2.276 1.00 0.00 H new ATOM 355 N PHE A 58 28.241 28.442 4.675 1.00 0.00 N ATOM 356 CA PHE A 58 27.289 28.380 5.821 1.00 0.00 C ATOM 357 C PHE A 58 27.698 29.407 6.880 1.00 0.00 C ATOM 358 O PHE A 58 27.193 29.410 7.985 1.00 0.00 O ATOM 359 CB PHE A 58 27.322 26.978 6.432 1.00 0.00 C ATOM 360 CG PHE A 58 26.819 25.975 5.420 1.00 0.00 C ATOM 361 CD1 PHE A 58 27.673 25.508 4.414 1.00 0.00 C ATOM 362 CD2 PHE A 58 25.499 25.513 5.490 1.00 0.00 C ATOM 363 CE1 PHE A 58 27.206 24.579 3.477 1.00 0.00 C ATOM 364 CE2 PHE A 58 25.033 24.584 4.551 1.00 0.00 C ATOM 365 CZ PHE A 58 25.887 24.117 3.545 1.00 0.00 C ATOM 0 H PHE A 58 29.206 28.197 4.899 1.00 0.00 H new ATOM 0 HA PHE A 58 26.281 28.602 5.470 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.338 26.726 6.736 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.704 26.946 7.329 1.00 0.00 H new ATOM 0 HD1 PHE A 58 28.691 25.864 4.361 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.841 25.873 6.267 1.00 0.00 H new ATOM 0 HE1 PHE A 58 27.864 24.218 2.701 1.00 0.00 H new ATOM 0 HE2 PHE A 58 24.015 24.228 4.603 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.528 23.400 2.821 1.00 0.00 H new ATOM 375 N SER A 59 28.618 30.272 6.553 1.00 0.00 N ATOM 376 CA SER A 59 29.072 31.295 7.539 1.00 0.00 C ATOM 377 C SER A 59 28.034 32.416 7.665 1.00 0.00 C ATOM 378 O SER A 59 27.597 32.741 8.751 1.00 0.00 O ATOM 379 CB SER A 59 30.403 31.889 7.075 1.00 0.00 C ATOM 380 OG SER A 59 30.516 33.223 7.547 1.00 0.00 O ATOM 0 H SER A 59 29.077 30.315 5.643 1.00 0.00 H new ATOM 0 HA SER A 59 29.195 30.817 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 59 31.232 31.288 7.449 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.462 31.871 5.987 1.00 0.00 H new ATOM 0 HG SER A 59 31.369 33.603 7.251 1.00 0.00 H new ATOM 386 N PRO A 60 27.643 33.033 6.535 1.00 0.00 N ATOM 387 CA PRO A 60 26.668 34.133 6.535 1.00 0.00 C ATOM 388 C PRO A 60 25.258 33.663 6.907 1.00 0.00 C ATOM 389 O PRO A 60 24.503 34.379 7.534 1.00 0.00 O ATOM 390 CB PRO A 60 26.692 34.635 5.091 1.00 0.00 C ATOM 391 CG PRO A 60 27.156 33.464 4.295 1.00 0.00 C ATOM 392 CD PRO A 60 28.112 32.710 5.175 1.00 0.00 C ATOM 0 HA PRO A 60 26.921 34.896 7.271 1.00 0.00 H new ATOM 0 HB2 PRO A 60 25.705 34.967 4.770 1.00 0.00 H new ATOM 0 HB3 PRO A 60 27.366 35.484 4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 60 26.316 32.834 4.004 1.00 0.00 H new ATOM 0 HG3 PRO A 60 27.645 33.787 3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.078 31.638 4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.142 33.030 5.018 1.00 0.00 H new ATOM 400 N PHE A 61 24.894 32.470 6.528 1.00 0.00 N ATOM 401 CA PHE A 61 23.530 31.970 6.867 1.00 0.00 C ATOM 402 C PHE A 61 23.388 31.864 8.386 1.00 0.00 C ATOM 403 O PHE A 61 22.341 32.136 8.940 1.00 0.00 O ATOM 404 CB PHE A 61 23.317 30.594 6.235 1.00 0.00 C ATOM 405 CG PHE A 61 23.226 30.738 4.736 1.00 0.00 C ATOM 406 CD1 PHE A 61 22.019 31.120 4.139 1.00 0.00 C ATOM 407 CD2 PHE A 61 24.351 30.490 3.942 1.00 0.00 C ATOM 408 CE1 PHE A 61 21.937 31.254 2.747 1.00 0.00 C ATOM 409 CE2 PHE A 61 24.271 30.624 2.550 1.00 0.00 C ATOM 410 CZ PHE A 61 23.063 31.005 1.953 1.00 0.00 C ATOM 0 H PHE A 61 25.478 31.821 6.000 1.00 0.00 H new ATOM 0 HA PHE A 61 22.783 32.664 6.481 1.00 0.00 H new ATOM 0 HB2 PHE A 61 24.140 29.930 6.498 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.405 30.141 6.624 1.00 0.00 H new ATOM 0 HD1 PHE A 61 21.151 31.312 4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 61 25.282 30.195 4.403 1.00 0.00 H new ATOM 0 HE1 PHE A 61 21.006 31.549 2.287 1.00 0.00 H new ATOM 0 HE2 PHE A 61 25.140 30.434 1.938 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.000 31.107 0.880 1.00 0.00 H new ATOM 420 N GLY A 62 24.431 31.472 9.066 1.00 0.00 N ATOM 421 CA GLY A 62 24.350 31.352 10.549 1.00 0.00 C ATOM 422 C GLY A 62 25.706 30.908 11.103 1.00 0.00 C ATOM 423 O GLY A 62 26.686 30.835 10.388 1.00 0.00 O ATOM 0 H GLY A 62 25.334 31.230 8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.063 32.308 10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 62 23.580 30.631 10.824 1.00 0.00 H new ATOM 427 N ASN A 63 25.770 30.612 12.371 1.00 0.00 N ATOM 428 CA ASN A 63 27.062 30.175 12.971 1.00 0.00 C ATOM 429 C ASN A 63 27.108 28.648 13.032 1.00 0.00 C ATOM 430 O ASN A 63 26.144 28.001 13.390 1.00 0.00 O ATOM 431 CB ASN A 63 27.186 30.745 14.385 1.00 0.00 C ATOM 432 CG ASN A 63 28.603 30.509 14.910 1.00 0.00 C ATOM 433 OD1 ASN A 63 29.445 29.989 14.205 1.00 0.00 O ATOM 434 ND2 ASN A 63 28.904 30.872 16.127 1.00 0.00 N ATOM 0 H ASN A 63 24.983 30.654 13.019 1.00 0.00 H new ATOM 0 HA ASN A 63 27.887 30.538 12.358 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.962 31.812 14.379 1.00 0.00 H new ATOM 0 HB3 ASN A 63 26.459 30.271 15.044 1.00 0.00 H new ATOM 0 HD21 ASN A 63 29.846 30.719 16.486 1.00 0.00 H new ATOM 0 HD22 ASN A 63 28.197 31.309 16.719 1.00 0.00 H new ATOM 441 N ILE A 64 28.222 28.065 12.684 1.00 0.00 N ATOM 442 CA ILE A 64 28.329 26.579 12.721 1.00 0.00 C ATOM 443 C ILE A 64 29.024 26.148 14.015 1.00 0.00 C ATOM 444 O ILE A 64 30.060 26.670 14.379 1.00 0.00 O ATOM 445 CB ILE A 64 29.143 26.097 11.519 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.484 26.587 10.228 1.00 0.00 C ATOM 447 CG2 ILE A 64 29.194 24.569 11.518 1.00 0.00 C ATOM 448 CD1 ILE A 64 29.487 26.495 9.076 1.00 0.00 C ATOM 0 H ILE A 64 29.063 28.553 12.376 1.00 0.00 H new ATOM 0 HA ILE A 64 27.331 26.142 12.683 1.00 0.00 H new ATOM 0 HB ILE A 64 30.156 26.494 11.583 1.00 0.00 H new ATOM 0 HG12 ILE A 64 27.603 25.985 10.006 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.145 27.616 10.348 1.00 0.00 H new ATOM 0 HG21 ILE A 64 29.774 24.225 10.662 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.663 24.220 12.438 1.00 0.00 H new ATOM 0 HG23 ILE A 64 28.181 24.171 11.454 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.018 26.844 8.156 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.355 27.116 9.299 1.00 0.00 H new ATOM 0 HD13 ILE A 64 29.804 25.460 8.951 1.00 0.00 H new ATOM 460 N ILE A 65 28.460 25.201 14.713 1.00 0.00 N ATOM 461 CA ILE A 65 29.085 24.737 15.984 1.00 0.00 C ATOM 462 C ILE A 65 29.946 23.502 15.711 1.00 0.00 C ATOM 463 O ILE A 65 30.811 23.153 16.488 1.00 0.00 O ATOM 464 CB ILE A 65 27.989 24.381 16.990 1.00 0.00 C ATOM 465 CG1 ILE A 65 27.292 23.090 16.553 1.00 0.00 C ATOM 466 CG2 ILE A 65 26.965 25.517 17.053 1.00 0.00 C ATOM 467 CD1 ILE A 65 26.224 22.712 17.582 1.00 0.00 C ATOM 0 H ILE A 65 27.593 24.728 14.458 1.00 0.00 H new ATOM 0 HA ILE A 65 29.710 25.532 16.391 1.00 0.00 H new ATOM 0 HB ILE A 65 28.434 24.237 17.975 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.836 23.225 15.572 1.00 0.00 H new ATOM 0 HG13 ILE A 65 28.021 22.285 16.457 1.00 0.00 H new ATOM 0 HG21 ILE A 65 26.184 25.263 17.770 1.00 0.00 H new ATOM 0 HG22 ILE A 65 27.460 26.436 17.366 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.521 25.661 16.068 1.00 0.00 H new ATOM 0 HD11 ILE A 65 25.728 21.793 17.271 1.00 0.00 H new ATOM 0 HD12 ILE A 65 26.693 22.560 18.554 1.00 0.00 H new ATOM 0 HD13 ILE A 65 25.489 23.514 17.655 1.00 0.00 H new ATOM 479 N ASP A 66 29.716 22.837 14.612 1.00 0.00 N ATOM 480 CA ASP A 66 30.524 21.626 14.295 1.00 0.00 C ATOM 481 C ASP A 66 30.589 21.435 12.777 1.00 0.00 C ATOM 482 O ASP A 66 29.629 21.030 12.152 1.00 0.00 O ATOM 483 CB ASP A 66 29.875 20.399 14.937 1.00 0.00 C ATOM 484 CG ASP A 66 30.760 19.173 14.706 1.00 0.00 C ATOM 485 OD1 ASP A 66 31.856 19.345 14.201 1.00 0.00 O ATOM 486 OD2 ASP A 66 30.325 18.082 15.039 1.00 0.00 O ATOM 0 H ASP A 66 29.005 23.079 13.922 1.00 0.00 H new ATOM 0 HA ASP A 66 31.533 21.751 14.687 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.737 20.565 16.005 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.886 20.232 14.510 1.00 0.00 H new ATOM 491 N LEU A 67 31.715 21.718 12.181 1.00 0.00 N ATOM 492 CA LEU A 67 31.841 21.547 10.706 1.00 0.00 C ATOM 493 C LEU A 67 32.542 20.221 10.407 1.00 0.00 C ATOM 494 O LEU A 67 33.662 19.992 10.820 1.00 0.00 O ATOM 495 CB LEU A 67 32.663 22.701 10.127 1.00 0.00 C ATOM 496 CG LEU A 67 32.352 22.854 8.637 1.00 0.00 C ATOM 497 CD1 LEU A 67 32.632 21.531 7.919 1.00 0.00 C ATOM 498 CD2 LEU A 67 30.880 23.230 8.459 1.00 0.00 C ATOM 0 H LEU A 67 32.553 22.060 12.652 1.00 0.00 H new ATOM 0 HA LEU A 67 30.850 21.545 10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 67 32.431 23.626 10.654 1.00 0.00 H new ATOM 0 HB3 LEU A 67 33.727 22.511 10.269 1.00 0.00 H new ATOM 0 HG LEU A 67 32.980 23.637 8.213 1.00 0.00 H new ATOM 0 HD11 LEU A 67 32.411 21.639 6.857 1.00 0.00 H new ATOM 0 HD12 LEU A 67 33.681 21.263 8.045 1.00 0.00 H new ATOM 0 HD13 LEU A 67 32.004 20.747 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 67 30.658 23.339 7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 67 30.251 22.447 8.883 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.681 24.172 8.970 1.00 0.00 H new ATOM 510 N SER A 68 31.891 19.341 9.696 1.00 0.00 N ATOM 511 CA SER A 68 32.522 18.029 9.377 1.00 0.00 C ATOM 512 C SER A 68 32.373 17.735 7.883 1.00 0.00 C ATOM 513 O SER A 68 31.435 18.169 7.244 1.00 0.00 O ATOM 514 CB SER A 68 31.836 16.926 10.186 1.00 0.00 C ATOM 515 OG SER A 68 32.041 17.157 11.571 1.00 0.00 O ATOM 0 H SER A 68 30.951 19.474 9.323 1.00 0.00 H new ATOM 0 HA SER A 68 33.581 18.065 9.633 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.769 16.907 9.964 1.00 0.00 H new ATOM 0 HB3 SER A 68 32.237 15.952 9.906 1.00 0.00 H new ATOM 0 HG SER A 68 31.600 16.451 12.089 1.00 0.00 H new ATOM 521 N MET A 69 33.293 16.998 7.322 1.00 0.00 N ATOM 522 CA MET A 69 33.208 16.671 5.871 1.00 0.00 C ATOM 523 C MET A 69 33.407 15.166 5.678 1.00 0.00 C ATOM 524 O MET A 69 34.170 14.536 6.384 1.00 0.00 O ATOM 525 CB MET A 69 34.301 17.429 5.111 1.00 0.00 C ATOM 526 CG MET A 69 34.005 18.929 5.149 1.00 0.00 C ATOM 527 SD MET A 69 34.775 19.731 3.721 1.00 0.00 S ATOM 528 CE MET A 69 36.353 18.849 3.790 1.00 0.00 C ATOM 0 H MET A 69 34.101 16.608 7.807 1.00 0.00 H new ATOM 0 HA MET A 69 32.230 16.963 5.489 1.00 0.00 H new ATOM 0 HB2 MET A 69 35.275 17.229 5.558 1.00 0.00 H new ATOM 0 HB3 MET A 69 34.347 17.083 4.078 1.00 0.00 H new ATOM 0 HG2 MET A 69 32.928 19.099 5.138 1.00 0.00 H new ATOM 0 HG3 MET A 69 34.387 19.363 6.073 1.00 0.00 H new ATOM 0 HE1 MET A 69 37.048 19.290 3.075 1.00 0.00 H new ATOM 0 HE2 MET A 69 36.769 18.925 4.795 1.00 0.00 H new ATOM 0 HE3 MET A 69 36.194 17.800 3.541 1.00 0.00 H new ATOM 538 N ASP A 70 32.725 14.583 4.730 1.00 0.00 N ATOM 539 CA ASP A 70 32.876 13.118 4.497 1.00 0.00 C ATOM 540 C ASP A 70 33.405 12.877 3.082 1.00 0.00 C ATOM 541 O ASP A 70 32.674 12.960 2.114 1.00 0.00 O ATOM 542 CB ASP A 70 31.518 12.433 4.656 1.00 0.00 C ATOM 543 CG ASP A 70 31.673 11.183 5.525 1.00 0.00 C ATOM 544 OD1 ASP A 70 32.800 10.842 5.843 1.00 0.00 O ATOM 545 OD2 ASP A 70 30.662 10.587 5.857 1.00 0.00 O ATOM 0 H ASP A 70 32.071 15.057 4.107 1.00 0.00 H new ATOM 0 HA ASP A 70 33.578 12.707 5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 70 30.804 13.119 5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 70 31.119 12.162 3.678 1.00 0.00 H new ATOM 550 N PRO A 71 34.706 12.569 2.962 1.00 0.00 N ATOM 551 CA PRO A 71 35.339 12.312 1.669 1.00 0.00 C ATOM 552 C PRO A 71 34.983 10.938 1.067 1.00 0.00 C ATOM 553 O PRO A 71 34.997 10.781 -0.138 1.00 0.00 O ATOM 554 CB PRO A 71 36.834 12.386 1.977 1.00 0.00 C ATOM 555 CG PRO A 71 36.956 12.065 3.430 1.00 0.00 C ATOM 556 CD PRO A 71 35.655 12.455 4.086 1.00 0.00 C ATOM 0 HA PRO A 71 35.001 13.029 0.921 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.396 11.677 1.369 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.231 13.377 1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 71 37.156 11.003 3.574 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.789 12.609 3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.331 11.704 4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 71 35.748 13.397 4.627 1.00 0.00 H new ATOM 564 N PRO A 72 34.662 9.915 1.893 1.00 0.00 N ATOM 565 CA PRO A 72 34.320 8.587 1.370 1.00 0.00 C ATOM 566 C PRO A 72 32.914 8.559 0.764 1.00 0.00 C ATOM 567 O PRO A 72 32.613 7.748 -0.089 1.00 0.00 O ATOM 568 CB PRO A 72 34.371 7.686 2.601 1.00 0.00 C ATOM 569 CG PRO A 72 34.104 8.593 3.755 1.00 0.00 C ATOM 570 CD PRO A 72 34.605 9.959 3.369 1.00 0.00 C ATOM 0 HA PRO A 72 34.997 8.279 0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 72 33.625 6.893 2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 72 35.343 7.202 2.696 1.00 0.00 H new ATOM 0 HG2 PRO A 72 33.038 8.624 3.982 1.00 0.00 H new ATOM 0 HG3 PRO A 72 34.611 8.236 4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 72 33.935 10.744 3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 72 35.585 10.161 3.800 1.00 0.00 H new ATOM 578 N ARG A 73 32.052 9.436 1.199 1.00 0.00 N ATOM 579 CA ARG A 73 30.668 9.457 0.648 1.00 0.00 C ATOM 580 C ARG A 73 30.461 10.733 -0.170 1.00 0.00 C ATOM 581 O ARG A 73 29.358 11.057 -0.564 1.00 0.00 O ATOM 582 CB ARG A 73 29.662 9.421 1.800 1.00 0.00 C ATOM 583 CG ARG A 73 29.761 8.073 2.519 1.00 0.00 C ATOM 584 CD ARG A 73 28.603 7.933 3.508 1.00 0.00 C ATOM 585 NE ARG A 73 28.843 6.755 4.389 1.00 0.00 N ATOM 586 CZ ARG A 73 29.845 6.759 5.225 1.00 0.00 C ATOM 587 NH1 ARG A 73 29.777 7.465 6.321 1.00 0.00 N ATOM 588 NH2 ARG A 73 30.915 6.060 4.966 1.00 0.00 N ATOM 0 H ARG A 73 32.246 10.139 1.912 1.00 0.00 H new ATOM 0 HA ARG A 73 30.520 8.588 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 73 29.863 10.234 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 73 28.651 9.570 1.420 1.00 0.00 H new ATOM 0 HG2 ARG A 73 29.734 7.260 1.794 1.00 0.00 H new ATOM 0 HG3 ARG A 73 30.713 7.999 3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 73 28.512 8.838 4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 73 27.663 7.813 2.969 1.00 0.00 H new ATOM 0 HE ARG A 73 28.224 5.946 4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 73 28.941 8.013 6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 73 30.560 7.468 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 73 30.969 5.509 4.109 1.00 0.00 H new ATOM 0 HH22 ARG A 73 31.698 6.064 5.620 1.00 0.00 H new ATOM 602 N ASN A 74 31.512 11.461 -0.427 1.00 0.00 N ATOM 603 CA ASN A 74 31.373 12.715 -1.219 1.00 0.00 C ATOM 604 C ASN A 74 30.303 13.604 -0.584 1.00 0.00 C ATOM 605 O ASN A 74 29.552 14.272 -1.268 1.00 0.00 O ATOM 606 CB ASN A 74 30.963 12.370 -2.652 1.00 0.00 C ATOM 607 CG ASN A 74 32.071 11.553 -3.318 1.00 0.00 C ATOM 608 OD1 ASN A 74 33.195 11.541 -2.856 1.00 0.00 O ATOM 609 ND2 ASN A 74 31.801 10.864 -4.392 1.00 0.00 N ATOM 0 H ASN A 74 32.461 11.242 -0.123 1.00 0.00 H new ATOM 0 HA ASN A 74 32.326 13.244 -1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 74 30.031 11.804 -2.649 1.00 0.00 H new ATOM 0 HB3 ASN A 74 30.779 13.283 -3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 74 32.533 10.316 -4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 74 30.858 10.874 -4.780 1.00 0.00 H new ATOM 616 N CYS A 75 30.224 13.618 0.718 1.00 0.00 N ATOM 617 CA CYS A 75 29.199 14.463 1.392 1.00 0.00 C ATOM 618 C CYS A 75 29.787 15.055 2.674 1.00 0.00 C ATOM 619 O CYS A 75 30.601 14.443 3.337 1.00 0.00 O ATOM 620 CB CYS A 75 27.979 13.607 1.737 1.00 0.00 C ATOM 621 SG CYS A 75 28.434 12.385 2.993 1.00 0.00 S ATOM 0 H CYS A 75 30.825 13.081 1.344 1.00 0.00 H new ATOM 0 HA CYS A 75 28.899 15.271 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 75 27.171 14.239 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 75 27.609 13.105 0.843 1.00 0.00 H new ATOM 0 HG CYS A 75 28.172 12.859 4.175 1.00 0.00 H new ATOM 627 N ALA A 76 29.383 16.245 3.029 1.00 0.00 N ATOM 628 CA ALA A 76 29.920 16.875 4.268 1.00 0.00 C ATOM 629 C ALA A 76 28.795 17.029 5.293 1.00 0.00 C ATOM 630 O ALA A 76 27.628 16.968 4.963 1.00 0.00 O ATOM 631 CB ALA A 76 30.498 18.252 3.932 1.00 0.00 C ATOM 0 H ALA A 76 28.705 16.807 2.515 1.00 0.00 H new ATOM 0 HA ALA A 76 30.705 16.244 4.684 1.00 0.00 H new ATOM 0 HB1 ALA A 76 30.891 18.713 4.838 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.301 18.142 3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 76 29.714 18.884 3.514 1.00 0.00 H new ATOM 637 N PHE A 77 29.140 17.230 6.536 1.00 0.00 N ATOM 638 CA PHE A 77 28.094 17.390 7.585 1.00 0.00 C ATOM 639 C PHE A 77 28.357 18.674 8.371 1.00 0.00 C ATOM 640 O PHE A 77 29.298 18.765 9.134 1.00 0.00 O ATOM 641 CB PHE A 77 28.141 16.194 8.538 1.00 0.00 C ATOM 642 CG PHE A 77 27.717 14.946 7.800 1.00 0.00 C ATOM 643 CD1 PHE A 77 26.358 14.641 7.665 1.00 0.00 C ATOM 644 CD2 PHE A 77 28.684 14.095 7.254 1.00 0.00 C ATOM 645 CE1 PHE A 77 25.966 13.483 6.981 1.00 0.00 C ATOM 646 CE2 PHE A 77 28.293 12.938 6.571 1.00 0.00 C ATOM 647 CZ PHE A 77 26.933 12.632 6.434 1.00 0.00 C ATOM 0 H PHE A 77 30.102 17.290 6.870 1.00 0.00 H new ATOM 0 HA PHE A 77 27.112 17.443 7.115 1.00 0.00 H new ATOM 0 HB2 PHE A 77 29.149 16.070 8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 77 27.483 16.367 9.389 1.00 0.00 H new ATOM 0 HD1 PHE A 77 25.612 15.298 8.088 1.00 0.00 H new ATOM 0 HD2 PHE A 77 29.733 14.331 7.360 1.00 0.00 H new ATOM 0 HE1 PHE A 77 24.917 13.247 6.876 1.00 0.00 H new ATOM 0 HE2 PHE A 77 29.040 12.281 6.150 1.00 0.00 H new ATOM 0 HZ PHE A 77 26.631 11.739 5.906 1.00 0.00 H new ATOM 657 N VAL A 78 27.536 19.670 8.188 1.00 0.00 N ATOM 658 CA VAL A 78 27.741 20.948 8.922 1.00 0.00 C ATOM 659 C VAL A 78 26.642 21.120 9.970 1.00 0.00 C ATOM 660 O VAL A 78 25.478 20.895 9.706 1.00 0.00 O ATOM 661 CB VAL A 78 27.690 22.108 7.934 1.00 0.00 C ATOM 662 CG1 VAL A 78 26.377 22.040 7.165 1.00 0.00 C ATOM 663 CG2 VAL A 78 27.773 23.435 8.694 1.00 0.00 C ATOM 0 H VAL A 78 26.731 19.654 7.561 1.00 0.00 H new ATOM 0 HA VAL A 78 28.711 20.932 9.418 1.00 0.00 H new ATOM 0 HB VAL A 78 28.529 22.042 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 78 26.328 22.865 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.319 21.094 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 78 25.543 22.112 7.863 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.736 24.263 7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 78 26.934 23.511 9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 78 28.708 23.477 9.253 1.00 0.00 H new ATOM 673 N THR A 79 27.001 21.522 11.158 1.00 0.00 N ATOM 674 CA THR A 79 25.974 21.712 12.219 1.00 0.00 C ATOM 675 C THR A 79 25.756 23.207 12.448 1.00 0.00 C ATOM 676 O THR A 79 26.691 23.957 12.646 1.00 0.00 O ATOM 677 CB THR A 79 26.449 21.061 13.519 1.00 0.00 C ATOM 678 OG1 THR A 79 26.708 19.684 13.289 1.00 0.00 O ATOM 679 CG2 THR A 79 25.365 21.209 14.589 1.00 0.00 C ATOM 0 H THR A 79 27.960 21.727 11.439 1.00 0.00 H new ATOM 0 HA THR A 79 25.039 21.248 11.906 1.00 0.00 H new ATOM 0 HB THR A 79 27.362 21.549 13.860 1.00 0.00 H new ATOM 0 HG1 THR A 79 26.859 19.232 14.145 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.703 20.745 15.516 1.00 0.00 H new ATOM 0 HG22 THR A 79 25.168 22.267 14.763 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.451 20.721 14.251 1.00 0.00 H new ATOM 687 N TYR A 80 24.529 23.646 12.420 1.00 0.00 N ATOM 688 CA TYR A 80 24.255 25.093 12.637 1.00 0.00 C ATOM 689 C TYR A 80 23.924 25.335 14.109 1.00 0.00 C ATOM 690 O TYR A 80 23.804 24.412 14.887 1.00 0.00 O ATOM 691 CB TYR A 80 23.064 25.519 11.774 1.00 0.00 C ATOM 692 CG TYR A 80 23.566 26.209 10.530 1.00 0.00 C ATOM 693 CD1 TYR A 80 24.513 27.233 10.630 1.00 0.00 C ATOM 694 CD2 TYR A 80 23.083 25.821 9.274 1.00 0.00 C ATOM 695 CE1 TYR A 80 24.978 27.872 9.476 1.00 0.00 C ATOM 696 CE2 TYR A 80 23.549 26.460 8.119 1.00 0.00 C ATOM 697 CZ TYR A 80 24.496 27.485 8.219 1.00 0.00 C ATOM 698 OH TYR A 80 24.956 28.113 7.080 1.00 0.00 O ATOM 0 H TYR A 80 23.706 23.067 12.257 1.00 0.00 H new ATOM 0 HA TYR A 80 25.135 25.674 12.361 1.00 0.00 H new ATOM 0 HB2 TYR A 80 22.467 24.648 11.504 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.414 26.189 12.337 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.886 27.531 11.599 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.352 25.030 9.197 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.709 28.664 9.554 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.177 26.162 7.150 1.00 0.00 H new ATOM 0 HH TYR A 80 24.874 27.505 6.316 1.00 0.00 H new ATOM 708 N GLU A 81 23.771 26.571 14.492 1.00 0.00 N ATOM 709 CA GLU A 81 23.440 26.876 15.911 1.00 0.00 C ATOM 710 C GLU A 81 21.924 26.812 16.098 1.00 0.00 C ATOM 711 O GLU A 81 21.422 26.813 17.205 1.00 0.00 O ATOM 712 CB GLU A 81 23.939 28.279 16.264 1.00 0.00 C ATOM 713 CG GLU A 81 23.733 28.531 17.759 1.00 0.00 C ATOM 714 CD GLU A 81 24.072 29.987 18.083 1.00 0.00 C ATOM 715 OE1 GLU A 81 24.449 30.705 17.170 1.00 0.00 O ATOM 716 OE2 GLU A 81 23.948 30.362 19.238 1.00 0.00 O ATOM 0 H GLU A 81 23.861 27.384 13.883 1.00 0.00 H new ATOM 0 HA GLU A 81 23.922 26.148 16.563 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.994 28.376 16.010 1.00 0.00 H new ATOM 0 HB3 GLU A 81 23.401 29.026 15.681 1.00 0.00 H new ATOM 0 HG2 GLU A 81 22.701 28.317 18.036 1.00 0.00 H new ATOM 0 HG3 GLU A 81 24.365 27.861 18.342 1.00 0.00 H new ATOM 723 N LYS A 82 21.190 26.754 15.020 1.00 0.00 N ATOM 724 CA LYS A 82 19.705 26.688 15.124 1.00 0.00 C ATOM 725 C LYS A 82 19.135 26.089 13.837 1.00 0.00 C ATOM 726 O LYS A 82 19.773 26.099 12.803 1.00 0.00 O ATOM 727 CB LYS A 82 19.144 28.098 15.323 1.00 0.00 C ATOM 728 CG LYS A 82 19.682 28.683 16.630 1.00 0.00 C ATOM 729 CD LYS A 82 19.060 30.061 16.866 1.00 0.00 C ATOM 730 CE LYS A 82 19.613 30.655 18.162 1.00 0.00 C ATOM 731 NZ LYS A 82 20.846 31.439 17.863 1.00 0.00 N ATOM 0 H LYS A 82 21.557 26.749 14.068 1.00 0.00 H new ATOM 0 HA LYS A 82 19.425 26.064 15.973 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.426 28.735 14.484 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.055 28.067 15.347 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.447 28.019 17.462 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.768 28.765 16.584 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.282 30.721 16.027 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.975 29.977 16.926 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.865 31.297 18.629 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.838 29.859 18.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.223 31.843 18.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.560 30.814 17.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.617 32.207 17.200 1.00 0.00 H new ATOM 745 N MET A 83 17.941 25.567 13.890 1.00 0.00 N ATOM 746 CA MET A 83 17.336 24.968 12.667 1.00 0.00 C ATOM 747 C MET A 83 16.954 26.084 11.690 1.00 0.00 C ATOM 748 O MET A 83 16.649 25.839 10.540 1.00 0.00 O ATOM 749 CB MET A 83 16.087 24.174 13.055 1.00 0.00 C ATOM 750 CG MET A 83 16.450 23.159 14.144 1.00 0.00 C ATOM 751 SD MET A 83 14.936 22.537 14.919 1.00 0.00 S ATOM 752 CE MET A 83 15.690 21.150 15.807 1.00 0.00 C ATOM 0 H MET A 83 17.358 25.529 14.726 1.00 0.00 H new ATOM 0 HA MET A 83 18.055 24.301 12.191 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.310 24.849 13.415 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.683 23.660 12.183 1.00 0.00 H new ATOM 0 HG2 MET A 83 17.016 22.333 13.712 1.00 0.00 H new ATOM 0 HG3 MET A 83 17.089 23.626 14.893 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.922 20.615 16.365 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.158 20.472 15.093 1.00 0.00 H new ATOM 0 HE3 MET A 83 16.444 21.527 16.498 1.00 0.00 H new ATOM 762 N GLU A 84 16.972 27.309 12.141 1.00 0.00 N ATOM 763 CA GLU A 84 16.612 28.441 11.240 1.00 0.00 C ATOM 764 C GLU A 84 17.778 28.734 10.292 1.00 0.00 C ATOM 765 O GLU A 84 17.586 29.008 9.124 1.00 0.00 O ATOM 766 CB GLU A 84 16.313 29.684 12.081 1.00 0.00 C ATOM 767 CG GLU A 84 15.036 29.454 12.892 1.00 0.00 C ATOM 768 CD GLU A 84 13.882 29.126 11.943 1.00 0.00 C ATOM 769 OE1 GLU A 84 14.013 29.407 10.763 1.00 0.00 O ATOM 770 OE2 GLU A 84 12.887 28.598 12.411 1.00 0.00 O ATOM 0 H GLU A 84 17.220 27.575 13.094 1.00 0.00 H new ATOM 0 HA GLU A 84 15.731 28.174 10.657 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.148 29.894 12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.195 30.554 11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.183 28.637 13.599 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.799 30.343 13.477 1.00 0.00 H new ATOM 777 N SER A 85 18.985 28.679 10.785 1.00 0.00 N ATOM 778 CA SER A 85 20.159 28.954 9.909 1.00 0.00 C ATOM 779 C SER A 85 20.261 27.868 8.837 1.00 0.00 C ATOM 780 O SER A 85 20.643 28.125 7.713 1.00 0.00 O ATOM 781 CB SER A 85 21.436 28.953 10.751 1.00 0.00 C ATOM 782 OG SER A 85 22.566 29.039 9.895 1.00 0.00 O ATOM 0 H SER A 85 19.209 28.456 11.755 1.00 0.00 H new ATOM 0 HA SER A 85 20.035 29.927 9.434 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.427 29.793 11.445 1.00 0.00 H new ATOM 0 HB3 SER A 85 21.489 28.044 11.351 1.00 0.00 H new ATOM 0 HG SER A 85 22.998 28.161 9.835 1.00 0.00 H new ATOM 788 N ALA A 86 19.924 26.656 9.180 1.00 0.00 N ATOM 789 CA ALA A 86 20.002 25.551 8.184 1.00 0.00 C ATOM 790 C ALA A 86 18.887 25.708 7.149 1.00 0.00 C ATOM 791 O ALA A 86 19.061 25.413 5.984 1.00 0.00 O ATOM 792 CB ALA A 86 19.846 24.209 8.902 1.00 0.00 C ATOM 0 H ALA A 86 19.598 26.383 10.107 1.00 0.00 H new ATOM 0 HA ALA A 86 20.968 25.587 7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.903 23.399 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 86 20.643 24.094 9.636 1.00 0.00 H new ATOM 0 HB3 ALA A 86 18.881 24.177 9.407 1.00 0.00 H new ATOM 798 N ASP A 87 17.738 26.169 7.565 1.00 0.00 N ATOM 799 CA ASP A 87 16.614 26.339 6.602 1.00 0.00 C ATOM 800 C ASP A 87 16.972 27.414 5.572 1.00 0.00 C ATOM 801 O ASP A 87 16.737 27.257 4.390 1.00 0.00 O ATOM 802 CB ASP A 87 15.353 26.761 7.359 1.00 0.00 C ATOM 803 CG ASP A 87 14.168 26.801 6.391 1.00 0.00 C ATOM 804 OD1 ASP A 87 14.370 26.501 5.226 1.00 0.00 O ATOM 805 OD2 ASP A 87 13.079 27.131 6.832 1.00 0.00 O ATOM 0 H ASP A 87 17.530 26.434 8.528 1.00 0.00 H new ATOM 0 HA ASP A 87 16.434 25.394 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.151 26.061 8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.499 27.741 7.813 1.00 0.00 H new ATOM 810 N GLN A 88 17.535 28.507 6.010 1.00 0.00 N ATOM 811 CA GLN A 88 17.901 29.592 5.053 1.00 0.00 C ATOM 812 C GLN A 88 19.113 29.164 4.222 1.00 0.00 C ATOM 813 O GLN A 88 19.195 29.439 3.043 1.00 0.00 O ATOM 814 CB GLN A 88 18.241 30.863 5.831 1.00 0.00 C ATOM 815 CG GLN A 88 18.545 31.995 4.847 1.00 0.00 C ATOM 816 CD GLN A 88 18.897 33.266 5.623 1.00 0.00 C ATOM 817 OE1 GLN A 88 18.831 33.288 6.836 1.00 0.00 O ATOM 818 NE2 GLN A 88 19.270 34.332 4.971 1.00 0.00 N ATOM 0 H GLN A 88 17.757 28.696 6.987 1.00 0.00 H new ATOM 0 HA GLN A 88 17.059 29.784 4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.408 31.141 6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.101 30.688 6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.373 31.713 4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.682 32.175 4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.325 34.314 3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.506 35.184 5.479 1.00 0.00 H new ATOM 827 N ALA A 89 20.057 28.497 4.828 1.00 0.00 N ATOM 828 CA ALA A 89 21.263 28.061 4.068 1.00 0.00 C ATOM 829 C ALA A 89 20.901 26.890 3.151 1.00 0.00 C ATOM 830 O ALA A 89 21.324 26.828 2.014 1.00 0.00 O ATOM 831 CB ALA A 89 22.351 27.621 5.050 1.00 0.00 C ATOM 0 H ALA A 89 20.046 28.236 5.814 1.00 0.00 H new ATOM 0 HA ALA A 89 21.629 28.892 3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.234 27.302 4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 89 22.613 28.455 5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 89 21.982 26.792 5.654 1.00 0.00 H new ATOM 837 N VAL A 90 20.125 25.960 3.636 1.00 0.00 N ATOM 838 CA VAL A 90 19.742 24.793 2.792 1.00 0.00 C ATOM 839 C VAL A 90 18.951 25.274 1.573 1.00 0.00 C ATOM 840 O VAL A 90 19.043 24.711 0.500 1.00 0.00 O ATOM 841 CB VAL A 90 18.880 23.832 3.612 1.00 0.00 C ATOM 842 CG1 VAL A 90 18.257 22.787 2.685 1.00 0.00 C ATOM 843 CG2 VAL A 90 19.750 23.132 4.658 1.00 0.00 C ATOM 0 H VAL A 90 19.740 25.958 4.580 1.00 0.00 H new ATOM 0 HA VAL A 90 20.643 24.280 2.457 1.00 0.00 H new ATOM 0 HB VAL A 90 18.089 24.391 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.643 22.102 3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.637 23.285 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.047 22.228 2.184 1.00 0.00 H new ATOM 0 HG21 VAL A 90 19.136 22.447 5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.541 22.573 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.193 23.876 5.319 1.00 0.00 H new ATOM 853 N ALA A 91 18.167 26.304 1.730 1.00 0.00 N ATOM 854 CA ALA A 91 17.366 26.813 0.579 1.00 0.00 C ATOM 855 C ALA A 91 18.269 27.594 -0.378 1.00 0.00 C ATOM 856 O ALA A 91 18.314 27.326 -1.562 1.00 0.00 O ATOM 857 CB ALA A 91 16.259 27.735 1.098 1.00 0.00 C ATOM 0 H ALA A 91 18.046 26.816 2.604 1.00 0.00 H new ATOM 0 HA ALA A 91 16.924 25.970 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.673 28.108 0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.610 27.179 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.705 28.575 1.631 1.00 0.00 H new ATOM 863 N GLU A 92 18.983 28.565 0.123 1.00 0.00 N ATOM 864 CA GLU A 92 19.876 29.368 -0.760 1.00 0.00 C ATOM 865 C GLU A 92 21.049 28.508 -1.235 1.00 0.00 C ATOM 866 O GLU A 92 21.415 28.527 -2.394 1.00 0.00 O ATOM 867 CB GLU A 92 20.408 30.572 0.018 1.00 0.00 C ATOM 868 CG GLU A 92 19.238 31.457 0.452 1.00 0.00 C ATOM 869 CD GLU A 92 18.449 31.900 -0.782 1.00 0.00 C ATOM 870 OE1 GLU A 92 19.072 32.368 -1.721 1.00 0.00 O ATOM 871 OE2 GLU A 92 17.237 31.764 -0.767 1.00 0.00 O ATOM 0 H GLU A 92 18.986 28.837 1.106 1.00 0.00 H new ATOM 0 HA GLU A 92 19.311 29.711 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 92 20.967 30.236 0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.099 31.143 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 92 18.588 30.910 1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 92 19.608 32.328 0.993 1.00 0.00 H new ATOM 878 N LEU A 93 21.647 27.756 -0.351 1.00 0.00 N ATOM 879 CA LEU A 93 22.799 26.902 -0.757 1.00 0.00 C ATOM 880 C LEU A 93 22.324 25.826 -1.736 1.00 0.00 C ATOM 881 O LEU A 93 23.020 25.469 -2.665 1.00 0.00 O ATOM 882 CB LEU A 93 23.402 26.237 0.481 1.00 0.00 C ATOM 883 CG LEU A 93 23.852 27.315 1.470 1.00 0.00 C ATOM 884 CD1 LEU A 93 24.259 26.659 2.790 1.00 0.00 C ATOM 885 CD2 LEU A 93 25.046 28.073 0.888 1.00 0.00 C ATOM 0 H LEU A 93 21.388 27.696 0.634 1.00 0.00 H new ATOM 0 HA LEU A 93 23.554 27.521 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 93 22.667 25.582 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.249 25.613 0.196 1.00 0.00 H new ATOM 0 HG LEU A 93 23.031 28.010 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 93 24.579 27.427 3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.408 26.118 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.080 25.964 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.367 28.841 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 93 25.866 27.378 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 93 24.756 28.541 -0.053 1.00 0.00 H new ATOM 897 N ASN A 94 21.144 25.304 -1.536 1.00 0.00 N ATOM 898 CA ASN A 94 20.630 24.250 -2.456 1.00 0.00 C ATOM 899 C ASN A 94 20.245 24.885 -3.794 1.00 0.00 C ATOM 900 O ASN A 94 19.465 25.815 -3.850 1.00 0.00 O ATOM 901 CB ASN A 94 19.401 23.585 -1.835 1.00 0.00 C ATOM 902 CG ASN A 94 18.949 22.420 -2.718 1.00 0.00 C ATOM 903 OD1 ASN A 94 19.501 22.197 -3.777 1.00 0.00 O ATOM 904 ND2 ASN A 94 17.961 21.664 -2.324 1.00 0.00 N ATOM 0 H ASN A 94 20.515 25.562 -0.776 1.00 0.00 H new ATOM 0 HA ASN A 94 21.405 23.501 -2.618 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.636 23.226 -0.833 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.595 24.311 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.652 20.885 -2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.498 21.852 -1.435 1.00 0.00 H new ATOM 911 N GLY A 95 20.783 24.388 -4.874 1.00 0.00 N ATOM 912 CA GLY A 95 20.446 24.962 -6.207 1.00 0.00 C ATOM 913 C GLY A 95 21.505 25.993 -6.602 1.00 0.00 C ATOM 914 O GLY A 95 21.241 26.910 -7.356 1.00 0.00 O ATOM 0 H GLY A 95 21.441 23.609 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.398 24.170 -6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.462 25.430 -6.175 1.00 0.00 H new ATOM 918 N THR A 96 22.701 25.853 -6.100 1.00 0.00 N ATOM 919 CA THR A 96 23.774 26.827 -6.448 1.00 0.00 C ATOM 920 C THR A 96 24.947 26.085 -7.092 1.00 0.00 C ATOM 921 O THR A 96 25.143 24.906 -6.874 1.00 0.00 O ATOM 922 CB THR A 96 24.252 27.534 -5.177 1.00 0.00 C ATOM 923 OG1 THR A 96 25.055 26.644 -4.416 1.00 0.00 O ATOM 924 CG2 THR A 96 23.044 27.971 -4.349 1.00 0.00 C ATOM 0 H THR A 96 22.982 25.107 -5.464 1.00 0.00 H new ATOM 0 HA THR A 96 23.383 27.565 -7.149 1.00 0.00 H new ATOM 0 HB THR A 96 24.839 28.412 -5.448 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.493 26.169 -3.769 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.386 28.474 -3.444 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.430 28.655 -4.935 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.454 27.096 -4.077 1.00 0.00 H new ATOM 932 N GLN A 97 25.728 26.766 -7.886 1.00 0.00 N ATOM 933 CA GLN A 97 26.886 26.099 -8.543 1.00 0.00 C ATOM 934 C GLN A 97 28.154 26.919 -8.297 1.00 0.00 C ATOM 935 O GLN A 97 28.103 28.116 -8.102 1.00 0.00 O ATOM 936 CB GLN A 97 26.629 25.997 -10.048 1.00 0.00 C ATOM 937 CG GLN A 97 27.781 25.241 -10.713 1.00 0.00 C ATOM 938 CD GLN A 97 27.526 25.145 -12.219 1.00 0.00 C ATOM 939 OE1 GLN A 97 26.472 25.518 -12.694 1.00 0.00 O ATOM 940 NE2 GLN A 97 28.454 24.656 -12.995 1.00 0.00 N ATOM 0 H GLN A 97 25.614 27.755 -8.107 1.00 0.00 H new ATOM 0 HA GLN A 97 27.013 25.099 -8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 97 25.687 25.481 -10.233 1.00 0.00 H new ATOM 0 HB3 GLN A 97 26.537 26.993 -10.480 1.00 0.00 H new ATOM 0 HG2 GLN A 97 28.724 25.755 -10.525 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.871 24.243 -10.284 1.00 0.00 H new ATOM 0 HE21 GLN A 97 29.339 24.343 -12.597 1.00 0.00 H new ATOM 0 HE22 GLN A 97 28.294 24.587 -14.000 1.00 0.00 H new ATOM 949 N VAL A 98 29.294 26.282 -8.304 1.00 0.00 N ATOM 950 CA VAL A 98 30.565 27.026 -8.068 1.00 0.00 C ATOM 951 C VAL A 98 31.226 27.335 -9.413 1.00 0.00 C ATOM 952 O VAL A 98 30.567 27.454 -10.427 1.00 0.00 O ATOM 953 CB VAL A 98 31.511 26.174 -7.217 1.00 0.00 C ATOM 954 CG1 VAL A 98 32.402 27.089 -6.376 1.00 0.00 C ATOM 955 CG2 VAL A 98 30.696 25.269 -6.288 1.00 0.00 C ATOM 0 H VAL A 98 29.400 25.280 -8.463 1.00 0.00 H new ATOM 0 HA VAL A 98 30.350 27.957 -7.543 1.00 0.00 H new ATOM 0 HB VAL A 98 32.129 25.560 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 98 33.076 26.484 -5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 98 32.985 27.733 -7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 98 31.781 27.703 -5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 98 31.372 24.664 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 98 30.076 25.883 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL A 98 30.059 24.615 -6.884 1.00 0.00 H new ATOM 965 N GLU A 99 32.525 27.466 -9.432 1.00 0.00 N ATOM 966 CA GLU A 99 33.226 27.766 -10.713 1.00 0.00 C ATOM 967 C GLU A 99 32.949 26.648 -11.720 1.00 0.00 C ATOM 968 O GLU A 99 32.760 26.891 -12.895 1.00 0.00 O ATOM 969 CB GLU A 99 34.731 27.866 -10.461 1.00 0.00 C ATOM 970 CG GLU A 99 35.016 29.045 -9.529 1.00 0.00 C ATOM 971 CD GLU A 99 34.587 30.347 -10.208 1.00 0.00 C ATOM 972 OE1 GLU A 99 34.391 30.328 -11.412 1.00 0.00 O ATOM 973 OE2 GLU A 99 34.462 31.342 -9.512 1.00 0.00 O ATOM 0 H GLU A 99 33.131 27.378 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 99 32.862 28.713 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU A 99 35.098 26.941 -10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 99 35.260 27.999 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 99 34.478 28.918 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 99 36.078 29.082 -9.286 1.00 0.00 H new ATOM 980 N SER A 100 32.924 25.425 -11.268 1.00 0.00 N ATOM 981 CA SER A 100 32.660 24.293 -12.201 1.00 0.00 C ATOM 982 C SER A 100 32.137 23.092 -11.411 1.00 0.00 C ATOM 983 O SER A 100 32.267 21.958 -11.826 1.00 0.00 O ATOM 984 CB SER A 100 33.958 23.907 -12.914 1.00 0.00 C ATOM 985 OG SER A 100 33.687 23.654 -14.285 1.00 0.00 O ATOM 0 H SER A 100 33.075 25.160 -10.295 1.00 0.00 H new ATOM 0 HA SER A 100 31.916 24.596 -12.938 1.00 0.00 H new ATOM 0 HB2 SER A 100 34.690 24.709 -12.819 1.00 0.00 H new ATOM 0 HB3 SER A 100 34.392 23.022 -12.449 1.00 0.00 H new ATOM 0 HG SER A 100 34.518 23.408 -14.743 1.00 0.00 H new ATOM 991 N VAL A 101 31.545 23.331 -10.272 1.00 0.00 N ATOM 992 CA VAL A 101 31.014 22.203 -9.456 1.00 0.00 C ATOM 993 C VAL A 101 29.639 22.578 -8.900 1.00 0.00 C ATOM 994 O VAL A 101 29.337 23.737 -8.694 1.00 0.00 O ATOM 995 CB VAL A 101 31.971 21.915 -8.299 1.00 0.00 C ATOM 996 CG1 VAL A 101 31.464 20.708 -7.507 1.00 0.00 C ATOM 997 CG2 VAL A 101 33.366 21.613 -8.852 1.00 0.00 C ATOM 0 H VAL A 101 31.406 24.259 -9.872 1.00 0.00 H new ATOM 0 HA VAL A 101 30.923 21.315 -10.081 1.00 0.00 H new ATOM 0 HB VAL A 101 32.021 22.785 -7.644 1.00 0.00 H new ATOM 0 HG11 VAL A 101 32.146 20.502 -6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 101 30.471 20.923 -7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 101 31.414 19.838 -8.162 1.00 0.00 H new ATOM 0 HG21 VAL A 101 34.048 21.408 -8.027 1.00 0.00 H new ATOM 0 HG22 VAL A 101 33.317 20.743 -9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 101 33.728 22.473 -9.416 1.00 0.00 H new ATOM 1007 N GLN A 102 28.804 21.606 -8.652 1.00 0.00 N ATOM 1008 CA GLN A 102 27.450 21.908 -8.108 1.00 0.00 C ATOM 1009 C GLN A 102 27.379 21.470 -6.644 1.00 0.00 C ATOM 1010 O GLN A 102 27.971 20.483 -6.252 1.00 0.00 O ATOM 1011 CB GLN A 102 26.394 21.152 -8.917 1.00 0.00 C ATOM 1012 CG GLN A 102 26.437 21.618 -10.374 1.00 0.00 C ATOM 1013 CD GLN A 102 25.426 20.817 -11.197 1.00 0.00 C ATOM 1014 OE1 GLN A 102 24.944 19.792 -10.757 1.00 0.00 O ATOM 1015 NE2 GLN A 102 25.082 21.245 -12.381 1.00 0.00 N ATOM 0 H GLN A 102 29.001 20.617 -8.803 1.00 0.00 H new ATOM 0 HA GLN A 102 27.262 22.980 -8.177 1.00 0.00 H new ATOM 0 HB2 GLN A 102 26.578 20.079 -8.862 1.00 0.00 H new ATOM 0 HB3 GLN A 102 25.404 21.328 -8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 102 26.208 22.682 -10.433 1.00 0.00 H new ATOM 0 HG3 GLN A 102 27.440 21.484 -10.780 1.00 0.00 H new ATOM 0 HE21 GLN A 102 25.487 22.105 -12.750 1.00 0.00 H new ATOM 0 HE22 GLN A 102 24.408 20.719 -12.938 1.00 0.00 H new ATOM 1024 N LEU A 103 26.662 22.196 -5.831 1.00 0.00 N ATOM 1025 CA LEU A 103 26.555 21.821 -4.394 1.00 0.00 C ATOM 1026 C LEU A 103 25.126 21.367 -4.089 1.00 0.00 C ATOM 1027 O LEU A 103 24.171 21.876 -4.643 1.00 0.00 O ATOM 1028 CB LEU A 103 26.902 23.030 -3.523 1.00 0.00 C ATOM 1029 CG LEU A 103 28.348 23.454 -3.793 1.00 0.00 C ATOM 1030 CD1 LEU A 103 28.652 24.744 -3.029 1.00 0.00 C ATOM 1031 CD2 LEU A 103 29.299 22.350 -3.328 1.00 0.00 C ATOM 0 H LEU A 103 26.145 23.033 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 103 27.248 21.008 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 103 26.223 23.855 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 103 26.775 22.781 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 103 28.483 23.624 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 103 29.681 25.046 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 103 27.975 25.531 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 103 28.517 24.575 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 103 30.329 22.652 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 103 29.164 22.180 -2.260 1.00 0.00 H new ATOM 0 HD23 LEU A 103 29.083 21.431 -3.872 1.00 0.00 H new ATOM 1043 N LYS A 104 24.971 20.415 -3.211 1.00 0.00 N ATOM 1044 CA LYS A 104 23.604 19.931 -2.870 1.00 0.00 C ATOM 1045 C LYS A 104 23.413 19.975 -1.353 1.00 0.00 C ATOM 1046 O LYS A 104 24.259 19.538 -0.598 1.00 0.00 O ATOM 1047 CB LYS A 104 23.434 18.493 -3.365 1.00 0.00 C ATOM 1048 CG LYS A 104 23.538 18.463 -4.891 1.00 0.00 C ATOM 1049 CD LYS A 104 23.271 17.042 -5.394 1.00 0.00 C ATOM 1050 CE LYS A 104 23.502 16.986 -6.906 1.00 0.00 C ATOM 1051 NZ LYS A 104 22.454 16.135 -7.537 1.00 0.00 N ATOM 0 H LYS A 104 25.732 19.951 -2.715 1.00 0.00 H new ATOM 0 HA LYS A 104 22.861 20.569 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 104 24.199 17.853 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 104 22.468 18.100 -3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 104 22.819 19.156 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 104 24.529 18.791 -5.205 1.00 0.00 H new ATOM 0 HD2 LYS A 104 23.929 16.336 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 104 22.248 16.748 -5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 104 23.472 17.991 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 104 24.491 16.581 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 22.610 16.096 -8.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 22.504 15.174 -7.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 21.516 16.540 -7.345 1.00 0.00 H new ATOM 1065 N VAL A 105 22.308 20.502 -0.899 1.00 0.00 N ATOM 1066 CA VAL A 105 22.068 20.575 0.569 1.00 0.00 C ATOM 1067 C VAL A 105 20.844 19.731 0.931 1.00 0.00 C ATOM 1068 O VAL A 105 19.813 19.809 0.292 1.00 0.00 O ATOM 1069 CB VAL A 105 21.822 22.030 0.974 1.00 0.00 C ATOM 1070 CG1 VAL A 105 21.766 22.132 2.499 1.00 0.00 C ATOM 1071 CG2 VAL A 105 22.960 22.905 0.445 1.00 0.00 C ATOM 0 H VAL A 105 21.563 20.884 -1.481 1.00 0.00 H new ATOM 0 HA VAL A 105 22.941 20.193 1.098 1.00 0.00 H new ATOM 0 HB VAL A 105 20.876 22.370 0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 105 21.591 23.168 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 105 20.956 21.508 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 105 22.712 21.792 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 105 22.786 23.942 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 105 23.906 22.565 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 105 23.000 22.832 -0.642 1.00 0.00 H new