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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot -130:sc= -1.82! USER MOD Single : A 40 ASN : amide:sc= -1.03 K(o=-1,f=-2.2!) USER MOD Single : A 43 TYR OH : rot 165:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -150:sc= -0.916 (180deg=-3.15!) 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=-0.00268 K(o=-0.0027,f=-1.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -158:sc= -4.73! (180deg=-5.93!) USER MOD Single : A 74 ASN : amide:sc=-0.00309 K(o=-0.0031,f=-1.6!) USER MOD Single : A 75 CYS SG : rot 90:sc= -1.87 USER MOD Single : A 80 TYR OH : rot 162:sc= -6.84! 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 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.889 K(o=-0.89,f=-2.4!) USER MOD Single : A 94 ASN : amide:sc= -0.0321 K(o=-0.032,f=-2.5!) USER MOD Single : A 96 THR OG1 : rot -94:sc= 1.24 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=-1.6!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 21.614 22.242 14.210 1.00 0.00 N ATOM 79 CA ASN A 40 20.911 21.511 13.118 1.00 0.00 C ATOM 80 C ASN A 40 21.944 21.030 12.097 1.00 0.00 C ATOM 81 O ASN A 40 22.628 21.819 11.477 1.00 0.00 O ATOM 82 CB ASN A 40 19.912 22.447 12.435 1.00 0.00 C ATOM 83 CG ASN A 40 19.061 21.651 11.443 1.00 0.00 C ATOM 84 OD1 ASN A 40 19.079 20.436 11.448 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.311 22.289 10.587 1.00 0.00 N ATOM 0 HA ASN A 40 20.375 20.656 13.531 1.00 0.00 H new ATOM 0 HB2 ASN A 40 19.273 22.920 13.180 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.442 23.246 11.916 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.740 21.768 9.922 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.296 23.309 10.583 1.00 0.00 H new ATOM 92 N THR A 41 22.070 19.742 11.924 1.00 0.00 N ATOM 93 CA THR A 41 23.069 19.215 10.951 1.00 0.00 C ATOM 94 C THR A 41 22.535 19.350 9.524 1.00 0.00 C ATOM 95 O THR A 41 21.346 19.281 9.284 1.00 0.00 O ATOM 96 CB THR A 41 23.342 17.740 11.253 1.00 0.00 C ATOM 97 OG1 THR A 41 23.710 17.598 12.619 1.00 0.00 O ATOM 98 CG2 THR A 41 24.478 17.236 10.362 1.00 0.00 C ATOM 0 H THR A 41 21.525 19.033 12.414 1.00 0.00 H new ATOM 0 HA THR A 41 23.992 19.788 11.042 1.00 0.00 H new ATOM 0 HB THR A 41 22.443 17.156 11.056 1.00 0.00 H new ATOM 0 HG1 THR A 41 23.884 16.654 12.815 1.00 0.00 H new ATOM 0 HG21 THR A 41 24.671 16.185 10.578 1.00 0.00 H new ATOM 0 HG22 THR A 41 24.195 17.345 9.315 1.00 0.00 H new ATOM 0 HG23 THR A 41 25.379 17.818 10.557 1.00 0.00 H new ATOM 106 N LEU A 42 23.410 19.536 8.571 1.00 0.00 N ATOM 107 CA LEU A 42 22.963 19.670 7.156 1.00 0.00 C ATOM 108 C LEU A 42 23.718 18.660 6.290 1.00 0.00 C ATOM 109 O LEU A 42 24.812 18.244 6.617 1.00 0.00 O ATOM 110 CB LEU A 42 23.256 21.084 6.654 1.00 0.00 C ATOM 111 CG LEU A 42 22.392 22.087 7.420 1.00 0.00 C ATOM 112 CD1 LEU A 42 23.164 22.603 8.633 1.00 0.00 C ATOM 113 CD2 LEU A 42 22.040 23.261 6.503 1.00 0.00 C ATOM 0 H LEU A 42 24.418 19.601 8.714 1.00 0.00 H new ATOM 0 HA LEU A 42 21.891 19.480 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.312 21.318 6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 42 23.050 21.152 5.586 1.00 0.00 H new ATOM 0 HG LEU A 42 21.477 21.598 7.753 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.548 23.318 9.179 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.416 21.768 9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 42 24.079 23.092 8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 42 21.424 23.976 7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 42 22.956 23.750 6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.489 22.894 5.637 1.00 0.00 H new ATOM 125 N TYR A 43 23.144 18.264 5.186 1.00 0.00 N ATOM 126 CA TYR A 43 23.831 17.284 4.300 1.00 0.00 C ATOM 127 C TYR A 43 24.320 17.993 3.036 1.00 0.00 C ATOM 128 O TYR A 43 23.537 18.471 2.239 1.00 0.00 O ATOM 129 CB TYR A 43 22.854 16.172 3.916 1.00 0.00 C ATOM 130 CG TYR A 43 23.509 15.248 2.917 1.00 0.00 C ATOM 131 CD1 TYR A 43 24.320 14.196 3.362 1.00 0.00 C ATOM 132 CD2 TYR A 43 23.308 15.443 1.546 1.00 0.00 C ATOM 133 CE1 TYR A 43 24.928 13.341 2.437 1.00 0.00 C ATOM 134 CE2 TYR A 43 23.916 14.587 0.620 1.00 0.00 C ATOM 135 CZ TYR A 43 24.727 13.536 1.066 1.00 0.00 C ATOM 136 OH TYR A 43 25.326 12.692 0.153 1.00 0.00 O ATOM 0 H TYR A 43 22.230 18.577 4.860 1.00 0.00 H new ATOM 0 HA TYR A 43 24.683 16.853 4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.556 15.613 4.803 1.00 0.00 H new ATOM 0 HB3 TYR A 43 21.947 16.601 3.490 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.476 14.045 4.420 1.00 0.00 H new ATOM 0 HD2 TYR A 43 22.684 16.254 1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 43 25.553 12.530 2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 43 23.760 14.737 -0.438 1.00 0.00 H new ATOM 0 HH TYR A 43 24.904 12.807 -0.724 1.00 0.00 H new ATOM 146 N VAL A 44 25.609 18.066 2.847 1.00 0.00 N ATOM 147 CA VAL A 44 26.148 18.745 1.635 1.00 0.00 C ATOM 148 C VAL A 44 26.727 17.699 0.680 1.00 0.00 C ATOM 149 O VAL A 44 27.397 16.772 1.091 1.00 0.00 O ATOM 150 CB VAL A 44 27.249 19.724 2.049 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.722 20.508 0.823 1.00 0.00 C ATOM 152 CG2 VAL A 44 26.701 20.698 3.093 1.00 0.00 C ATOM 0 H VAL A 44 26.312 17.685 3.480 1.00 0.00 H new ATOM 0 HA VAL A 44 25.347 19.289 1.135 1.00 0.00 H new ATOM 0 HB VAL A 44 28.086 19.169 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.506 21.205 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 44 28.113 19.816 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.884 21.062 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.486 21.395 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.864 21.252 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.363 20.142 3.967 1.00 0.00 H new ATOM 162 N TYR A 45 26.470 17.836 -0.592 1.00 0.00 N ATOM 163 CA TYR A 45 27.004 16.846 -1.571 1.00 0.00 C ATOM 164 C TYR A 45 27.749 17.580 -2.688 1.00 0.00 C ATOM 165 O TYR A 45 27.282 18.575 -3.207 1.00 0.00 O ATOM 166 CB TYR A 45 25.845 16.047 -2.170 1.00 0.00 C ATOM 167 CG TYR A 45 26.381 15.064 -3.184 1.00 0.00 C ATOM 168 CD1 TYR A 45 26.757 13.777 -2.782 1.00 0.00 C ATOM 169 CD2 TYR A 45 26.502 15.439 -4.528 1.00 0.00 C ATOM 170 CE1 TYR A 45 27.253 12.865 -3.721 1.00 0.00 C ATOM 171 CE2 TYR A 45 26.998 14.527 -5.467 1.00 0.00 C ATOM 172 CZ TYR A 45 27.373 13.240 -5.065 1.00 0.00 C ATOM 173 OH TYR A 45 27.861 12.342 -5.991 1.00 0.00 O ATOM 0 H TYR A 45 25.914 18.590 -0.996 1.00 0.00 H new ATOM 0 HA TYR A 45 27.690 16.168 -1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 45 25.309 15.517 -1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 45 25.131 16.721 -2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 45 26.664 13.487 -1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 45 26.213 16.432 -4.840 1.00 0.00 H new ATOM 0 HE1 TYR A 45 27.543 11.873 -3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 45 27.091 14.817 -6.503 1.00 0.00 H new ATOM 0 HH TYR A 45 27.878 12.762 -6.876 1.00 0.00 H new ATOM 183 N GLY A 46 28.903 17.099 -3.062 1.00 0.00 N ATOM 184 CA GLY A 46 29.674 17.770 -4.146 1.00 0.00 C ATOM 185 C GLY A 46 31.069 17.149 -4.242 1.00 0.00 C ATOM 186 O GLY A 46 31.397 16.221 -3.530 1.00 0.00 O ATOM 0 H GLY A 46 29.345 16.271 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 46 29.152 17.665 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.753 18.838 -3.943 1.00 0.00 H new ATOM 190 N GLU A 47 31.893 17.655 -5.118 1.00 0.00 N ATOM 191 CA GLU A 47 33.267 17.094 -5.260 1.00 0.00 C ATOM 192 C GLU A 47 34.295 18.162 -4.880 1.00 0.00 C ATOM 193 O GLU A 47 33.997 19.340 -4.846 1.00 0.00 O ATOM 194 CB GLU A 47 33.495 16.662 -6.710 1.00 0.00 C ATOM 195 CG GLU A 47 32.470 15.593 -7.093 1.00 0.00 C ATOM 196 CD GLU A 47 32.747 15.107 -8.517 1.00 0.00 C ATOM 197 OE1 GLU A 47 33.557 15.727 -9.186 1.00 0.00 O ATOM 198 OE2 GLU A 47 32.143 14.125 -8.914 1.00 0.00 O ATOM 0 H GLU A 47 31.675 18.432 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 47 33.377 16.232 -4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 47 33.405 17.521 -7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 47 34.505 16.271 -6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 47 32.523 14.757 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 47 31.461 16.001 -7.026 1.00 0.00 H new ATOM 205 N ASP A 48 35.503 17.761 -4.595 1.00 0.00 N ATOM 206 CA ASP A 48 36.548 18.754 -4.219 1.00 0.00 C ATOM 207 C ASP A 48 35.959 19.769 -3.237 1.00 0.00 C ATOM 208 O ASP A 48 36.092 20.963 -3.410 1.00 0.00 O ATOM 209 CB ASP A 48 37.033 19.482 -5.474 1.00 0.00 C ATOM 210 CG ASP A 48 37.548 18.460 -6.489 1.00 0.00 C ATOM 211 OD1 ASP A 48 37.841 17.347 -6.083 1.00 0.00 O ATOM 212 OD2 ASP A 48 37.639 18.807 -7.655 1.00 0.00 O ATOM 0 H ASP A 48 35.812 16.789 -4.606 1.00 0.00 H new ATOM 0 HA ASP A 48 37.386 18.239 -3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 48 36.219 20.063 -5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 48 37.825 20.185 -5.216 1.00 0.00 H new ATOM 217 N MET A 49 35.308 19.301 -2.206 1.00 0.00 N ATOM 218 CA MET A 49 34.711 20.240 -1.216 1.00 0.00 C ATOM 219 C MET A 49 35.602 20.308 0.027 1.00 0.00 C ATOM 220 O MET A 49 36.111 19.307 0.492 1.00 0.00 O ATOM 221 CB MET A 49 33.320 19.746 -0.818 1.00 0.00 C ATOM 222 CG MET A 49 32.388 19.812 -2.031 1.00 0.00 C ATOM 223 SD MET A 49 30.699 19.421 -1.514 1.00 0.00 S ATOM 224 CE MET A 49 31.075 17.868 -0.666 1.00 0.00 C ATOM 0 H MET A 49 35.165 18.311 -2.008 1.00 0.00 H new ATOM 0 HA MET A 49 34.631 21.232 -1.661 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.378 18.723 -0.446 1.00 0.00 H new ATOM 0 HB3 MET A 49 32.923 20.358 -0.008 1.00 0.00 H new ATOM 0 HG2 MET A 49 32.423 20.806 -2.476 1.00 0.00 H new ATOM 0 HG3 MET A 49 32.718 19.109 -2.796 1.00 0.00 H new ATOM 0 HE1 MET A 49 30.215 17.201 -0.730 1.00 0.00 H new ATOM 0 HE2 MET A 49 31.937 17.396 -1.137 1.00 0.00 H new ATOM 0 HE3 MET A 49 31.300 18.070 0.381 1.00 0.00 H new ATOM 234 N THR A 50 35.792 21.480 0.568 1.00 0.00 N ATOM 235 CA THR A 50 36.647 21.612 1.780 1.00 0.00 C ATOM 236 C THR A 50 35.835 22.255 2.906 1.00 0.00 C ATOM 237 O THR A 50 34.800 22.848 2.675 1.00 0.00 O ATOM 238 CB THR A 50 37.858 22.491 1.458 1.00 0.00 C ATOM 239 OG1 THR A 50 37.489 23.467 0.494 1.00 0.00 O ATOM 240 CG2 THR A 50 38.988 21.623 0.901 1.00 0.00 C ATOM 0 H THR A 50 35.392 22.352 0.222 1.00 0.00 H new ATOM 0 HA THR A 50 36.989 20.626 2.094 1.00 0.00 H new ATOM 0 HB THR A 50 38.199 22.987 2.367 1.00 0.00 H new ATOM 0 HG1 THR A 50 38.263 24.032 0.288 1.00 0.00 H new ATOM 0 HG21 THR A 50 39.850 22.250 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.270 20.874 1.641 1.00 0.00 H new ATOM 0 HG23 THR A 50 38.650 21.125 -0.008 1.00 0.00 H new ATOM 248 N PRO A 51 36.319 22.131 4.152 1.00 0.00 N ATOM 249 CA PRO A 51 35.641 22.699 5.324 1.00 0.00 C ATOM 250 C PRO A 51 35.705 24.229 5.331 1.00 0.00 C ATOM 251 O PRO A 51 34.698 24.901 5.428 1.00 0.00 O ATOM 252 CB PRO A 51 36.434 22.136 6.503 1.00 0.00 C ATOM 253 CG PRO A 51 37.784 21.840 5.942 1.00 0.00 C ATOM 254 CD PRO A 51 37.563 21.430 4.513 1.00 0.00 C ATOM 0 HA PRO A 51 34.581 22.446 5.347 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.493 22.855 7.320 1.00 0.00 H new ATOM 0 HB3 PRO A 51 35.965 21.237 6.903 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.430 22.716 6.000 1.00 0.00 H new ATOM 0 HG3 PRO A 51 38.273 21.045 6.504 1.00 0.00 H new ATOM 0 HD2 PRO A 51 38.394 21.730 3.875 1.00 0.00 H new ATOM 0 HD3 PRO A 51 37.460 20.349 4.415 1.00 0.00 H new ATOM 262 N THR A 52 36.881 24.784 5.224 1.00 0.00 N ATOM 263 CA THR A 52 37.004 26.268 5.222 1.00 0.00 C ATOM 264 C THR A 52 36.008 26.854 4.219 1.00 0.00 C ATOM 265 O THR A 52 35.264 27.764 4.528 1.00 0.00 O ATOM 266 CB THR A 52 38.427 26.662 4.818 1.00 0.00 C ATOM 267 OG1 THR A 52 39.358 25.980 5.647 1.00 0.00 O ATOM 268 CG2 THR A 52 38.606 28.172 4.980 1.00 0.00 C ATOM 0 H THR A 52 37.760 24.274 5.138 1.00 0.00 H new ATOM 0 HA THR A 52 36.791 26.655 6.219 1.00 0.00 H new ATOM 0 HB THR A 52 38.599 26.389 3.777 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.270 26.230 5.389 1.00 0.00 H new ATOM 0 HG21 THR A 52 39.620 28.451 4.692 1.00 0.00 H new ATOM 0 HG22 THR A 52 37.891 28.693 4.343 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.435 28.449 6.020 1.00 0.00 H new ATOM 276 N LEU A 53 35.985 26.336 3.021 1.00 0.00 N ATOM 277 CA LEU A 53 35.032 26.861 2.004 1.00 0.00 C ATOM 278 C LEU A 53 33.602 26.692 2.520 1.00 0.00 C ATOM 279 O LEU A 53 32.798 27.601 2.456 1.00 0.00 O ATOM 280 CB LEU A 53 35.198 26.083 0.697 1.00 0.00 C ATOM 281 CG LEU A 53 34.244 26.650 -0.357 1.00 0.00 C ATOM 282 CD1 LEU A 53 34.766 28.004 -0.841 1.00 0.00 C ATOM 283 CD2 LEU A 53 34.157 25.685 -1.541 1.00 0.00 C ATOM 0 H LEU A 53 36.584 25.574 2.704 1.00 0.00 H new ATOM 0 HA LEU A 53 35.235 27.917 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.228 26.154 0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 53 34.989 25.026 0.861 1.00 0.00 H new ATOM 0 HG LEU A 53 33.254 26.777 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 53 34.087 28.408 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 53 34.827 28.693 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 53 35.756 27.877 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 53 33.477 26.090 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 53 35.147 25.557 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 53 33.785 24.720 -1.197 1.00 0.00 H new ATOM 295 N LEU A 54 33.281 25.538 3.036 1.00 0.00 N ATOM 296 CA LEU A 54 31.905 25.315 3.561 1.00 0.00 C ATOM 297 C LEU A 54 31.602 26.359 4.637 1.00 0.00 C ATOM 298 O LEU A 54 30.551 26.968 4.646 1.00 0.00 O ATOM 299 CB LEU A 54 31.809 23.912 4.167 1.00 0.00 C ATOM 300 CG LEU A 54 32.015 22.867 3.068 1.00 0.00 C ATOM 301 CD1 LEU A 54 32.590 21.590 3.682 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.672 22.555 2.404 1.00 0.00 C ATOM 0 H LEU A 54 33.912 24.740 3.117 1.00 0.00 H new ATOM 0 HA LEU A 54 31.184 25.406 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 54 32.561 23.789 4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 54 30.836 23.773 4.638 1.00 0.00 H new ATOM 0 HG LEU A 54 32.708 23.255 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.737 20.845 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 54 33.546 21.813 4.156 1.00 0.00 H new ATOM 0 HD13 LEU A 54 31.897 21.201 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.817 21.811 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.979 22.166 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.262 23.466 1.967 1.00 0.00 H new ATOM 314 N ARG A 55 32.517 26.573 5.542 1.00 0.00 N ATOM 315 CA ARG A 55 32.282 27.581 6.613 1.00 0.00 C ATOM 316 C ARG A 55 31.848 28.901 5.974 1.00 0.00 C ATOM 317 O ARG A 55 30.977 29.586 6.472 1.00 0.00 O ATOM 318 CB ARG A 55 33.572 27.795 7.407 1.00 0.00 C ATOM 319 CG ARG A 55 33.900 26.528 8.200 1.00 0.00 C ATOM 320 CD ARG A 55 35.164 26.758 9.031 1.00 0.00 C ATOM 321 NE ARG A 55 35.606 25.467 9.629 1.00 0.00 N ATOM 322 CZ ARG A 55 35.377 25.219 10.890 1.00 0.00 C ATOM 323 NH1 ARG A 55 34.151 25.066 11.312 1.00 0.00 N ATOM 324 NH2 ARG A 55 36.372 25.125 11.729 1.00 0.00 N ATOM 0 H ARG A 55 33.416 26.094 5.586 1.00 0.00 H new ATOM 0 HA ARG A 55 31.501 27.226 7.286 1.00 0.00 H new ATOM 0 HB2 ARG A 55 34.392 28.036 6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 55 33.458 28.641 8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 55 33.066 26.268 8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 55 34.047 25.689 7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 55 35.955 27.170 8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 55 34.968 27.487 9.817 1.00 0.00 H new ATOM 0 HE ARG A 55 36.088 24.777 9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 55 33.373 25.140 10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 55 33.971 24.872 12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 55 37.330 25.245 11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 55 36.192 24.931 12.714 1.00 0.00 H new ATOM 338 N GLY A 56 32.448 29.261 4.873 1.00 0.00 N ATOM 339 CA GLY A 56 32.069 30.535 4.201 1.00 0.00 C ATOM 340 C GLY A 56 30.657 30.404 3.625 1.00 0.00 C ATOM 341 O GLY A 56 29.891 31.346 3.612 1.00 0.00 O ATOM 0 H GLY A 56 33.184 28.728 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.109 31.360 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.778 30.765 3.406 1.00 0.00 H new ATOM 345 N ALA A 57 30.305 29.239 3.152 1.00 0.00 N ATOM 346 CA ALA A 57 28.943 29.046 2.579 1.00 0.00 C ATOM 347 C ALA A 57 27.916 29.011 3.712 1.00 0.00 C ATOM 348 O ALA A 57 26.766 29.356 3.531 1.00 0.00 O ATOM 349 CB ALA A 57 28.895 27.726 1.807 1.00 0.00 C ATOM 0 H ALA A 57 30.903 28.412 3.138 1.00 0.00 H new ATOM 0 HA ALA A 57 28.713 29.870 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 57 27.899 27.585 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.628 27.749 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.125 26.901 2.482 1.00 0.00 H new ATOM 355 N PHE A 58 28.324 28.597 4.881 1.00 0.00 N ATOM 356 CA PHE A 58 27.373 28.540 6.026 1.00 0.00 C ATOM 357 C PHE A 58 27.772 29.589 7.070 1.00 0.00 C ATOM 358 O PHE A 58 27.240 29.626 8.161 1.00 0.00 O ATOM 359 CB PHE A 58 27.425 27.149 6.660 1.00 0.00 C ATOM 360 CG PHE A 58 26.905 26.127 5.676 1.00 0.00 C ATOM 361 CD1 PHE A 58 27.783 25.513 4.775 1.00 0.00 C ATOM 362 CD2 PHE A 58 25.546 25.791 5.668 1.00 0.00 C ATOM 363 CE1 PHE A 58 27.302 24.565 3.863 1.00 0.00 C ATOM 364 CE2 PHE A 58 25.064 24.843 4.756 1.00 0.00 C ATOM 365 CZ PHE A 58 25.943 24.230 3.854 1.00 0.00 C ATOM 0 H PHE A 58 29.275 28.296 5.092 1.00 0.00 H new ATOM 0 HA PHE A 58 26.362 28.742 5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.448 26.906 6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.826 27.130 7.571 1.00 0.00 H new ATOM 0 HD1 PHE A 58 28.832 25.770 4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.869 26.263 6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 58 27.979 24.093 3.167 1.00 0.00 H new ATOM 0 HE2 PHE A 58 24.015 24.585 4.748 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.572 23.499 3.151 1.00 0.00 H new ATOM 375 N SER A 59 28.709 30.436 6.742 1.00 0.00 N ATOM 376 CA SER A 59 29.150 31.478 7.713 1.00 0.00 C ATOM 377 C SER A 59 28.089 32.577 7.824 1.00 0.00 C ATOM 378 O SER A 59 27.592 32.864 8.895 1.00 0.00 O ATOM 379 CB SER A 59 30.467 32.091 7.236 1.00 0.00 C ATOM 380 OG SER A 59 30.521 33.457 7.619 1.00 0.00 O ATOM 0 H SER A 59 29.189 30.452 5.842 1.00 0.00 H new ATOM 0 HA SER A 59 29.290 31.017 8.691 1.00 0.00 H new ATOM 0 HB2 SER A 59 31.309 31.549 7.666 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.550 32.003 6.153 1.00 0.00 H new ATOM 0 HG SER A 59 31.366 33.849 7.314 1.00 0.00 H new ATOM 386 N PRO A 60 27.742 33.212 6.693 1.00 0.00 N ATOM 387 CA PRO A 60 26.745 34.292 6.663 1.00 0.00 C ATOM 388 C PRO A 60 25.332 33.778 6.955 1.00 0.00 C ATOM 389 O PRO A 60 24.492 34.499 7.455 1.00 0.00 O ATOM 390 CB PRO A 60 26.827 34.814 5.228 1.00 0.00 C ATOM 391 CG PRO A 60 27.353 33.664 4.441 1.00 0.00 C ATOM 392 CD PRO A 60 28.290 32.927 5.354 1.00 0.00 C ATOM 0 HA PRO A 60 26.944 35.051 7.420 1.00 0.00 H new ATOM 0 HB2 PRO A 60 25.849 35.130 4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 60 27.487 35.678 5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 60 26.542 33.016 4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 60 27.872 34.009 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.302 31.858 5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.315 33.283 5.253 1.00 0.00 H new ATOM 400 N PHE A 61 25.063 32.539 6.648 1.00 0.00 N ATOM 401 CA PHE A 61 23.704 31.987 6.911 1.00 0.00 C ATOM 402 C PHE A 61 23.491 31.851 8.419 1.00 0.00 C ATOM 403 O PHE A 61 22.396 32.011 8.919 1.00 0.00 O ATOM 404 CB PHE A 61 23.577 30.614 6.251 1.00 0.00 C ATOM 405 CG PHE A 61 23.453 30.784 4.757 1.00 0.00 C ATOM 406 CD1 PHE A 61 24.604 30.884 3.967 1.00 0.00 C ATOM 407 CD2 PHE A 61 22.188 30.842 4.161 1.00 0.00 C ATOM 408 CE1 PHE A 61 24.491 31.043 2.580 1.00 0.00 C ATOM 409 CE2 PHE A 61 22.075 31.000 2.775 1.00 0.00 C ATOM 410 CZ PHE A 61 23.225 31.100 1.985 1.00 0.00 C ATOM 0 H PHE A 61 25.724 31.886 6.227 1.00 0.00 H new ATOM 0 HA PHE A 61 22.952 32.660 6.499 1.00 0.00 H new ATOM 0 HB2 PHE A 61 24.448 30.003 6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.705 30.090 6.642 1.00 0.00 H new ATOM 0 HD1 PHE A 61 25.580 30.839 4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 61 21.300 30.765 4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 61 25.379 31.122 1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 61 21.099 31.045 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.136 31.221 0.916 1.00 0.00 H new ATOM 420 N GLY A 62 24.531 31.555 9.150 1.00 0.00 N ATOM 421 CA GLY A 62 24.387 31.409 10.626 1.00 0.00 C ATOM 422 C GLY A 62 25.716 30.946 11.225 1.00 0.00 C ATOM 423 O GLY A 62 26.734 30.927 10.562 1.00 0.00 O ATOM 0 H GLY A 62 25.474 31.408 8.789 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.088 32.359 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 62 23.602 30.689 10.856 1.00 0.00 H new ATOM 427 N ASN A 63 25.716 30.570 12.475 1.00 0.00 N ATOM 428 CA ASN A 63 26.979 30.107 13.114 1.00 0.00 C ATOM 429 C ASN A 63 27.003 28.578 13.145 1.00 0.00 C ATOM 430 O ASN A 63 26.007 27.938 13.417 1.00 0.00 O ATOM 431 CB ASN A 63 27.055 30.648 14.544 1.00 0.00 C ATOM 432 CG ASN A 63 27.153 32.175 14.505 1.00 0.00 C ATOM 433 OD1 ASN A 63 27.409 32.753 13.468 1.00 0.00 O ATOM 434 ND2 ASN A 63 26.958 32.857 15.601 1.00 0.00 N ATOM 0 H ASN A 63 24.895 30.564 13.081 1.00 0.00 H new ATOM 0 HA ASN A 63 27.832 30.472 12.542 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.173 30.343 15.107 1.00 0.00 H new ATOM 0 HB3 ASN A 63 27.921 30.230 15.057 1.00 0.00 H new ATOM 0 HD21 ASN A 63 27.021 33.875 15.586 1.00 0.00 H new ATOM 0 HD22 ASN A 63 26.743 32.372 16.472 1.00 0.00 H new ATOM 441 N ILE A 64 28.133 27.987 12.867 1.00 0.00 N ATOM 442 CA ILE A 64 28.217 26.500 12.880 1.00 0.00 C ATOM 443 C ILE A 64 28.872 26.035 14.181 1.00 0.00 C ATOM 444 O ILE A 64 29.932 26.498 14.555 1.00 0.00 O ATOM 445 CB ILE A 64 29.054 26.026 11.690 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.484 26.617 10.397 1.00 0.00 C ATOM 447 CG2 ILE A 64 29.012 24.498 11.613 1.00 0.00 C ATOM 448 CD1 ILE A 64 29.502 26.450 9.268 1.00 0.00 C ATOM 0 H ILE A 64 29.000 28.469 12.632 1.00 0.00 H new ATOM 0 HA ILE A 64 27.214 26.080 12.810 1.00 0.00 H new ATOM 0 HB ILE A 64 30.085 26.356 11.817 1.00 0.00 H new ATOM 0 HG12 ILE A 64 27.551 26.117 10.137 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.252 27.673 10.538 1.00 0.00 H new ATOM 0 HG21 ILE A 64 29.608 24.160 10.765 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.417 24.076 12.533 1.00 0.00 H new ATOM 0 HG23 ILE A 64 27.981 24.168 11.486 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.097 26.870 8.348 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.424 26.970 9.529 1.00 0.00 H new ATOM 0 HD13 ILE A 64 29.712 25.391 9.121 1.00 0.00 H new ATOM 460 N ILE A 65 28.249 25.124 14.876 1.00 0.00 N ATOM 461 CA ILE A 65 28.834 24.630 16.155 1.00 0.00 C ATOM 462 C ILE A 65 29.642 23.359 15.887 1.00 0.00 C ATOM 463 O ILE A 65 30.552 23.023 16.620 1.00 0.00 O ATOM 464 CB ILE A 65 27.709 24.318 17.143 1.00 0.00 C ATOM 465 CG1 ILE A 65 26.937 23.085 16.666 1.00 0.00 C ATOM 466 CG2 ILE A 65 26.758 25.514 17.227 1.00 0.00 C ATOM 467 CD1 ILE A 65 25.845 22.743 17.680 1.00 0.00 C ATOM 0 H ILE A 65 27.359 24.700 14.614 1.00 0.00 H new ATOM 0 HA ILE A 65 29.486 25.395 16.576 1.00 0.00 H new ATOM 0 HB ILE A 65 28.134 24.122 18.127 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.494 23.276 15.689 1.00 0.00 H new ATOM 0 HG13 ILE A 65 27.616 22.241 16.548 1.00 0.00 H new ATOM 0 HG21 ILE A 65 25.956 25.292 17.931 1.00 0.00 H new ATOM 0 HG22 ILE A 65 27.307 26.392 17.567 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.333 25.711 16.243 1.00 0.00 H new ATOM 0 HD11 ILE A 65 25.295 21.865 17.340 1.00 0.00 H new ATOM 0 HD12 ILE A 65 26.300 22.534 18.648 1.00 0.00 H new ATOM 0 HD13 ILE A 65 25.160 23.586 17.775 1.00 0.00 H new ATOM 479 N ASP A 66 29.317 22.647 14.843 1.00 0.00 N ATOM 480 CA ASP A 66 30.068 21.398 14.532 1.00 0.00 C ATOM 481 C ASP A 66 30.262 21.279 13.019 1.00 0.00 C ATOM 482 O ASP A 66 29.328 21.405 12.251 1.00 0.00 O ATOM 483 CB ASP A 66 29.278 20.190 15.041 1.00 0.00 C ATOM 484 CG ASP A 66 30.107 18.919 14.842 1.00 0.00 C ATOM 485 OD1 ASP A 66 31.265 19.041 14.475 1.00 0.00 O ATOM 486 OD2 ASP A 66 29.571 17.845 15.060 1.00 0.00 O ATOM 0 H ASP A 66 28.565 22.876 14.193 1.00 0.00 H new ATOM 0 HA ASP A 66 31.042 21.430 15.020 1.00 0.00 H new ATOM 0 HB2 ASP A 66 29.036 20.318 16.096 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.332 20.108 14.505 1.00 0.00 H new ATOM 491 N LEU A 67 31.469 21.038 12.585 1.00 0.00 N ATOM 492 CA LEU A 67 31.726 20.909 11.123 1.00 0.00 C ATOM 493 C LEU A 67 32.276 19.513 10.826 1.00 0.00 C ATOM 494 O LEU A 67 33.343 19.146 11.278 1.00 0.00 O ATOM 495 CB LEU A 67 32.748 21.966 10.694 1.00 0.00 C ATOM 496 CG LEU A 67 32.940 21.922 9.174 1.00 0.00 C ATOM 497 CD1 LEU A 67 33.802 20.713 8.801 1.00 0.00 C ATOM 498 CD2 LEU A 67 31.579 21.811 8.482 1.00 0.00 C ATOM 0 H LEU A 67 32.289 20.925 13.181 1.00 0.00 H new ATOM 0 HA LEU A 67 30.797 21.057 10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 67 32.409 22.956 10.998 1.00 0.00 H new ATOM 0 HB3 LEU A 67 33.700 21.788 11.194 1.00 0.00 H new ATOM 0 HG LEU A 67 33.435 22.837 8.849 1.00 0.00 H new ATOM 0 HD11 LEU A 67 33.938 20.683 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 67 34.774 20.796 9.287 1.00 0.00 H new ATOM 0 HD13 LEU A 67 33.308 19.799 9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 67 31.721 21.780 7.402 1.00 0.00 H new ATOM 0 HD22 LEU A 67 31.078 20.899 8.808 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.967 22.674 8.743 1.00 0.00 H new ATOM 510 N SER A 68 31.557 18.728 10.071 1.00 0.00 N ATOM 511 CA SER A 68 32.042 17.356 9.749 1.00 0.00 C ATOM 512 C SER A 68 32.168 17.201 8.233 1.00 0.00 C ATOM 513 O SER A 68 31.393 17.749 7.476 1.00 0.00 O ATOM 514 CB SER A 68 31.048 16.325 10.287 1.00 0.00 C ATOM 515 OG SER A 68 30.943 16.458 11.697 1.00 0.00 O ATOM 0 H SER A 68 30.656 18.977 9.664 1.00 0.00 H new ATOM 0 HA SER A 68 33.016 17.197 10.211 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.072 16.469 9.824 1.00 0.00 H new ATOM 0 HB3 SER A 68 31.377 15.318 10.030 1.00 0.00 H new ATOM 0 HG SER A 68 30.305 15.799 12.041 1.00 0.00 H new ATOM 521 N MET A 69 33.142 16.456 7.783 1.00 0.00 N ATOM 522 CA MET A 69 33.318 16.267 6.316 1.00 0.00 C ATOM 523 C MET A 69 33.268 14.775 5.983 1.00 0.00 C ATOM 524 O MET A 69 33.733 13.944 6.739 1.00 0.00 O ATOM 525 CB MET A 69 34.671 16.840 5.888 1.00 0.00 C ATOM 526 CG MET A 69 34.726 18.329 6.236 1.00 0.00 C ATOM 527 SD MET A 69 33.477 19.219 5.276 1.00 0.00 S ATOM 528 CE MET A 69 34.096 18.776 3.635 1.00 0.00 C ATOM 0 H MET A 69 33.822 15.971 8.368 1.00 0.00 H new ATOM 0 HA MET A 69 32.519 16.784 5.785 1.00 0.00 H new ATOM 0 HB2 MET A 69 35.479 16.308 6.390 1.00 0.00 H new ATOM 0 HB3 MET A 69 34.815 16.700 4.817 1.00 0.00 H new ATOM 0 HG2 MET A 69 34.550 18.471 7.302 1.00 0.00 H new ATOM 0 HG3 MET A 69 35.718 18.727 6.021 1.00 0.00 H new ATOM 0 HE1 MET A 69 33.740 19.502 2.904 1.00 0.00 H new ATOM 0 HE2 MET A 69 35.186 18.775 3.645 1.00 0.00 H new ATOM 0 HE3 MET A 69 33.735 17.783 3.366 1.00 0.00 H new ATOM 538 N ASP A 70 32.706 14.426 4.857 1.00 0.00 N ATOM 539 CA ASP A 70 32.629 12.987 4.477 1.00 0.00 C ATOM 540 C ASP A 70 33.269 12.788 3.101 1.00 0.00 C ATOM 541 O ASP A 70 32.631 12.951 2.080 1.00 0.00 O ATOM 542 CB ASP A 70 31.162 12.551 4.422 1.00 0.00 C ATOM 543 CG ASP A 70 30.930 11.408 5.411 1.00 0.00 C ATOM 544 OD1 ASP A 70 31.755 11.240 6.296 1.00 0.00 O ATOM 545 OD2 ASP A 70 29.934 10.719 5.268 1.00 0.00 O ATOM 0 H ASP A 70 32.297 15.075 4.185 1.00 0.00 H new ATOM 0 HA ASP A 70 33.160 12.388 5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 70 30.513 13.392 4.664 1.00 0.00 H new ATOM 0 HB3 ASP A 70 30.905 12.230 3.413 1.00 0.00 H new ATOM 550 N PRO A 71 34.563 12.427 3.080 1.00 0.00 N ATOM 551 CA PRO A 71 35.297 12.204 1.834 1.00 0.00 C ATOM 552 C PRO A 71 34.934 10.881 1.129 1.00 0.00 C ATOM 553 O PRO A 71 35.043 10.786 -0.078 1.00 0.00 O ATOM 554 CB PRO A 71 36.760 12.191 2.272 1.00 0.00 C ATOM 555 CG PRO A 71 36.740 11.796 3.712 1.00 0.00 C ATOM 556 CD PRO A 71 35.404 12.214 4.273 1.00 0.00 C ATOM 0 HA PRO A 71 35.059 12.973 1.100 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.341 11.485 1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.218 13.171 2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.882 10.720 3.817 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.553 12.279 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.986 11.445 4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 71 35.489 13.123 4.868 1.00 0.00 H new ATOM 564 N PRO A 72 34.500 9.835 1.867 1.00 0.00 N ATOM 565 CA PRO A 72 34.146 8.553 1.247 1.00 0.00 C ATOM 566 C PRO A 72 32.792 8.622 0.534 1.00 0.00 C ATOM 567 O PRO A 72 32.507 7.839 -0.351 1.00 0.00 O ATOM 568 CB PRO A 72 34.060 7.589 2.426 1.00 0.00 C ATOM 569 CG PRO A 72 33.741 8.446 3.604 1.00 0.00 C ATOM 570 CD PRO A 72 34.322 9.807 3.334 1.00 0.00 C ATOM 0 HA PRO A 72 34.871 8.256 0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 72 33.288 6.837 2.265 1.00 0.00 H new ATOM 0 HB3 PRO A 72 35.000 7.056 2.569 1.00 0.00 H new ATOM 0 HG2 PRO A 72 32.663 8.510 3.752 1.00 0.00 H new ATOM 0 HG3 PRO A 72 34.163 8.021 4.515 1.00 0.00 H new ATOM 0 HD2 PRO A 72 33.654 10.600 3.670 1.00 0.00 H new ATOM 0 HD3 PRO A 72 35.270 9.947 3.854 1.00 0.00 H new ATOM 578 N ARG A 73 31.956 9.550 0.911 1.00 0.00 N ATOM 579 CA ARG A 73 30.623 9.663 0.254 1.00 0.00 C ATOM 580 C ARG A 73 30.548 10.972 -0.537 1.00 0.00 C ATOM 581 O ARG A 73 29.525 11.309 -1.099 1.00 0.00 O ATOM 582 CB ARG A 73 29.526 9.650 1.320 1.00 0.00 C ATOM 583 CG ARG A 73 29.516 8.291 2.025 1.00 0.00 C ATOM 584 CD ARG A 73 28.322 8.220 2.978 1.00 0.00 C ATOM 585 NE ARG A 73 28.428 6.990 3.813 1.00 0.00 N ATOM 586 CZ ARG A 73 29.518 6.755 4.492 1.00 0.00 C ATOM 587 NH1 ARG A 73 30.021 7.683 5.259 1.00 0.00 N ATOM 588 NH2 ARG A 73 30.103 5.593 4.404 1.00 0.00 N ATOM 0 H ARG A 73 32.138 10.234 1.645 1.00 0.00 H new ATOM 0 HA ARG A 73 30.483 8.821 -0.424 1.00 0.00 H new ATOM 0 HB2 ARG A 73 29.698 10.446 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 73 28.556 9.841 0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 73 29.456 7.488 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 73 30.445 8.149 2.577 1.00 0.00 H new ATOM 0 HD2 ARG A 73 28.298 9.104 3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 73 27.391 8.209 2.412 1.00 0.00 H new ATOM 0 HE ARG A 73 27.649 6.332 3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 73 29.563 8.592 5.328 1.00 0.00 H new ATOM 0 HH12 ARG A 73 30.873 7.500 5.790 1.00 0.00 H new ATOM 0 HH21 ARG A 73 29.709 4.868 3.805 1.00 0.00 H new ATOM 0 HH22 ARG A 73 30.955 5.409 4.934 1.00 0.00 H new ATOM 602 N ASN A 74 31.621 11.712 -0.584 1.00 0.00 N ATOM 603 CA ASN A 74 31.605 12.996 -1.340 1.00 0.00 C ATOM 604 C ASN A 74 30.511 13.905 -0.777 1.00 0.00 C ATOM 605 O ASN A 74 29.724 14.471 -1.509 1.00 0.00 O ATOM 606 CB ASN A 74 31.323 12.715 -2.817 1.00 0.00 C ATOM 607 CG ASN A 74 32.432 11.828 -3.388 1.00 0.00 C ATOM 608 OD1 ASN A 74 33.495 11.718 -2.811 1.00 0.00 O ATOM 609 ND2 ASN A 74 32.226 11.186 -4.505 1.00 0.00 N ATOM 0 H ASN A 74 32.507 11.484 -0.133 1.00 0.00 H new ATOM 0 HA ASN A 74 32.573 13.487 -1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 74 30.356 12.223 -2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 74 31.269 13.651 -3.373 1.00 0.00 H new ATOM 0 HD21 ASN A 74 32.958 10.591 -4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 74 31.333 11.279 -4.989 1.00 0.00 H new ATOM 616 N CYS A 75 30.456 14.050 0.519 1.00 0.00 N ATOM 617 CA CYS A 75 29.412 14.922 1.126 1.00 0.00 C ATOM 618 C CYS A 75 29.920 15.472 2.460 1.00 0.00 C ATOM 619 O CYS A 75 30.677 14.830 3.160 1.00 0.00 O ATOM 620 CB CYS A 75 28.139 14.105 1.362 1.00 0.00 C ATOM 621 SG CYS A 75 28.462 12.828 2.603 1.00 0.00 S ATOM 0 H CYS A 75 31.088 13.603 1.183 1.00 0.00 H new ATOM 0 HA CYS A 75 29.192 15.750 0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 75 27.333 14.757 1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 75 27.811 13.646 0.429 1.00 0.00 H new ATOM 0 HG CYS A 75 28.210 13.300 3.788 1.00 0.00 H new ATOM 627 N ALA A 76 29.507 16.657 2.818 1.00 0.00 N ATOM 628 CA ALA A 76 29.964 17.248 4.107 1.00 0.00 C ATOM 629 C ALA A 76 28.751 17.532 4.994 1.00 0.00 C ATOM 630 O ALA A 76 27.641 17.668 4.518 1.00 0.00 O ATOM 631 CB ALA A 76 30.713 18.553 3.832 1.00 0.00 C ATOM 0 H ALA A 76 28.873 17.241 2.273 1.00 0.00 H new ATOM 0 HA ALA A 76 30.629 16.548 4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 76 31.048 18.986 4.775 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.577 18.350 3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 76 30.049 19.254 3.326 1.00 0.00 H new ATOM 637 N PHE A 77 28.950 17.619 6.280 1.00 0.00 N ATOM 638 CA PHE A 77 27.803 17.891 7.193 1.00 0.00 C ATOM 639 C PHE A 77 28.050 19.196 7.951 1.00 0.00 C ATOM 640 O PHE A 77 29.153 19.480 8.377 1.00 0.00 O ATOM 641 CB PHE A 77 27.659 16.739 8.189 1.00 0.00 C ATOM 642 CG PHE A 77 27.291 15.477 7.446 1.00 0.00 C ATOM 643 CD1 PHE A 77 25.947 15.181 7.192 1.00 0.00 C ATOM 644 CD2 PHE A 77 28.295 14.604 7.010 1.00 0.00 C ATOM 645 CE1 PHE A 77 25.605 14.011 6.502 1.00 0.00 C ATOM 646 CE2 PHE A 77 27.954 13.433 6.321 1.00 0.00 C ATOM 647 CZ PHE A 77 26.608 13.137 6.067 1.00 0.00 C ATOM 0 H PHE A 77 29.855 17.514 6.738 1.00 0.00 H new ATOM 0 HA PHE A 77 26.888 17.981 6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 77 28.593 16.595 8.733 1.00 0.00 H new ATOM 0 HB3 PHE A 77 26.893 16.976 8.928 1.00 0.00 H new ATOM 0 HD1 PHE A 77 25.173 15.855 7.528 1.00 0.00 H new ATOM 0 HD2 PHE A 77 29.332 14.833 7.205 1.00 0.00 H new ATOM 0 HE1 PHE A 77 24.568 13.783 6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 77 28.728 12.759 5.986 1.00 0.00 H new ATOM 0 HZ PHE A 77 26.345 12.234 5.536 1.00 0.00 H new ATOM 657 N VAL A 78 27.032 19.995 8.124 1.00 0.00 N ATOM 658 CA VAL A 78 27.210 21.281 8.855 1.00 0.00 C ATOM 659 C VAL A 78 26.148 21.399 9.949 1.00 0.00 C ATOM 660 O VAL A 78 24.994 21.079 9.744 1.00 0.00 O ATOM 661 CB VAL A 78 27.061 22.447 7.876 1.00 0.00 C ATOM 662 CG1 VAL A 78 27.455 23.752 8.572 1.00 0.00 C ATOM 663 CG2 VAL A 78 27.971 22.220 6.667 1.00 0.00 C ATOM 0 H VAL A 78 26.085 19.812 7.791 1.00 0.00 H new ATOM 0 HA VAL A 78 28.202 21.307 9.307 1.00 0.00 H new ATOM 0 HB VAL A 78 26.025 22.510 7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.349 24.583 7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.806 23.916 9.433 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.491 23.688 8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.864 23.051 5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 78 29.007 22.155 6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 78 27.691 21.291 6.170 1.00 0.00 H new ATOM 673 N THR A 79 26.526 21.859 11.111 1.00 0.00 N ATOM 674 CA THR A 79 25.535 21.999 12.216 1.00 0.00 C ATOM 675 C THR A 79 25.204 23.481 12.413 1.00 0.00 C ATOM 676 O THR A 79 26.078 24.323 12.438 1.00 0.00 O ATOM 677 CB THR A 79 26.125 21.431 13.509 1.00 0.00 C ATOM 678 OG1 THR A 79 26.636 20.129 13.261 1.00 0.00 O ATOM 679 CG2 THR A 79 25.034 21.358 14.579 1.00 0.00 C ATOM 0 H THR A 79 27.478 22.144 11.343 1.00 0.00 H new ATOM 0 HA THR A 79 24.627 21.452 11.963 1.00 0.00 H new ATOM 0 HB THR A 79 26.930 22.078 13.858 1.00 0.00 H new ATOM 0 HG1 THR A 79 26.293 19.509 13.938 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.454 20.953 15.500 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.642 22.357 14.767 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.228 20.711 14.233 1.00 0.00 H new ATOM 687 N TYR A 80 23.947 23.806 12.553 1.00 0.00 N ATOM 688 CA TYR A 80 23.566 25.234 12.746 1.00 0.00 C ATOM 689 C TYR A 80 22.995 25.428 14.153 1.00 0.00 C ATOM 690 O TYR A 80 22.278 24.590 14.663 1.00 0.00 O ATOM 691 CB TYR A 80 22.507 25.626 11.713 1.00 0.00 C ATOM 692 CG TYR A 80 23.169 26.301 10.536 1.00 0.00 C ATOM 693 CD1 TYR A 80 24.180 27.247 10.746 1.00 0.00 C ATOM 694 CD2 TYR A 80 22.771 25.980 9.232 1.00 0.00 C ATOM 695 CE1 TYR A 80 24.793 27.870 9.653 1.00 0.00 C ATOM 696 CE2 TYR A 80 23.384 26.604 8.139 1.00 0.00 C ATOM 697 CZ TYR A 80 24.395 27.549 8.350 1.00 0.00 C ATOM 698 OH TYR A 80 25.000 28.164 7.273 1.00 0.00 O ATOM 0 H TYR A 80 23.169 23.146 12.542 1.00 0.00 H new ATOM 0 HA TYR A 80 24.449 25.861 12.621 1.00 0.00 H new ATOM 0 HB2 TYR A 80 21.965 24.741 11.379 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.775 26.296 12.164 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.487 27.496 11.751 1.00 0.00 H new ATOM 0 HD2 TYR A 80 21.991 25.251 9.070 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.573 28.599 9.815 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.077 26.356 7.134 1.00 0.00 H new ATOM 0 HH TYR A 80 24.830 27.643 6.461 1.00 0.00 H new ATOM 708 N GLU A 81 23.303 26.528 14.783 1.00 0.00 N ATOM 709 CA GLU A 81 22.772 26.773 16.154 1.00 0.00 C ATOM 710 C GLU A 81 21.248 26.884 16.095 1.00 0.00 C ATOM 711 O GLU A 81 20.561 26.678 17.076 1.00 0.00 O ATOM 712 CB GLU A 81 23.357 28.076 16.704 1.00 0.00 C ATOM 713 CG GLU A 81 22.969 28.226 18.176 1.00 0.00 C ATOM 714 CD GLU A 81 23.401 29.607 18.678 1.00 0.00 C ATOM 715 OE1 GLU A 81 23.966 30.351 17.895 1.00 0.00 O ATOM 716 OE2 GLU A 81 23.160 29.894 19.839 1.00 0.00 O ATOM 0 H GLU A 81 23.898 27.267 14.409 1.00 0.00 H new ATOM 0 HA GLU A 81 23.053 25.946 16.806 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.442 28.072 16.601 1.00 0.00 H new ATOM 0 HB3 GLU A 81 22.985 28.925 16.130 1.00 0.00 H new ATOM 0 HG2 GLU A 81 21.892 28.105 18.294 1.00 0.00 H new ATOM 0 HG3 GLU A 81 23.445 27.446 18.770 1.00 0.00 H new ATOM 723 N LYS A 82 20.712 27.208 14.948 1.00 0.00 N ATOM 724 CA LYS A 82 19.232 27.332 14.825 1.00 0.00 C ATOM 725 C LYS A 82 18.769 26.653 13.534 1.00 0.00 C ATOM 726 O LYS A 82 19.365 26.814 12.488 1.00 0.00 O ATOM 727 CB LYS A 82 18.845 28.812 14.789 1.00 0.00 C ATOM 728 CG LYS A 82 19.195 29.465 16.127 1.00 0.00 C ATOM 729 CD LYS A 82 18.676 30.905 16.141 1.00 0.00 C ATOM 730 CE LYS A 82 19.108 31.591 17.438 1.00 0.00 C ATOM 731 NZ LYS A 82 20.385 32.324 17.211 1.00 0.00 N ATOM 0 H LYS A 82 21.236 27.392 14.092 1.00 0.00 H new ATOM 0 HA LYS A 82 18.755 26.852 15.680 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.370 29.316 13.978 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.778 28.915 14.590 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.753 28.899 16.947 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.274 29.454 16.278 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.065 31.451 15.281 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.589 30.912 16.058 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.334 32.282 17.772 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.237 30.851 18.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 20.679 32.791 18.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.122 31.654 16.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.247 33.040 16.470 1.00 0.00 H new ATOM 745 N MET A 83 17.709 25.896 13.599 1.00 0.00 N ATOM 746 CA MET A 83 17.208 25.209 12.375 1.00 0.00 C ATOM 747 C MET A 83 16.916 26.250 11.291 1.00 0.00 C ATOM 748 O MET A 83 16.928 25.955 10.112 1.00 0.00 O ATOM 749 CB MET A 83 15.924 24.444 12.708 1.00 0.00 C ATOM 750 CG MET A 83 16.202 23.447 13.835 1.00 0.00 C ATOM 751 SD MET A 83 14.700 22.502 14.187 1.00 0.00 S ATOM 752 CE MET A 83 15.167 21.940 15.843 1.00 0.00 C ATOM 0 H MET A 83 17.168 25.723 14.446 1.00 0.00 H new ATOM 0 HA MET A 83 17.963 24.510 12.015 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.141 25.140 13.009 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.561 23.919 11.824 1.00 0.00 H new ATOM 0 HG2 MET A 83 17.010 22.773 13.548 1.00 0.00 H new ATOM 0 HG3 MET A 83 16.530 23.976 14.730 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.367 21.327 16.258 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.082 21.351 15.783 1.00 0.00 H new ATOM 0 HE3 MET A 83 15.333 22.804 16.487 1.00 0.00 H new ATOM 762 N GLU A 84 16.653 27.467 11.683 1.00 0.00 N ATOM 763 CA GLU A 84 16.361 28.526 10.678 1.00 0.00 C ATOM 764 C GLU A 84 17.615 28.800 9.843 1.00 0.00 C ATOM 765 O GLU A 84 17.542 29.039 8.654 1.00 0.00 O ATOM 766 CB GLU A 84 15.941 29.810 11.398 1.00 0.00 C ATOM 767 CG GLU A 84 14.592 29.590 12.086 1.00 0.00 C ATOM 768 CD GLU A 84 14.148 30.887 12.765 1.00 0.00 C ATOM 769 OE1 GLU A 84 14.942 31.814 12.803 1.00 0.00 O ATOM 770 OE2 GLU A 84 13.024 30.933 13.235 1.00 0.00 O ATOM 0 H GLU A 84 16.628 27.773 12.656 1.00 0.00 H new ATOM 0 HA GLU A 84 15.555 28.192 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.695 30.091 12.133 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.869 30.632 10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.846 29.276 11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.674 28.791 12.823 1.00 0.00 H new ATOM 777 N SER A 85 18.766 28.766 10.457 1.00 0.00 N ATOM 778 CA SER A 85 20.023 29.025 9.699 1.00 0.00 C ATOM 779 C SER A 85 20.201 27.954 8.620 1.00 0.00 C ATOM 780 O SER A 85 20.754 28.206 7.569 1.00 0.00 O ATOM 781 CB SER A 85 21.213 28.985 10.658 1.00 0.00 C ATOM 782 OG SER A 85 20.982 29.875 11.740 1.00 0.00 O ATOM 0 H SER A 85 18.890 28.570 11.450 1.00 0.00 H new ATOM 0 HA SER A 85 19.967 30.007 9.229 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.358 27.971 11.032 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.126 29.264 10.133 1.00 0.00 H new ATOM 0 HG SER A 85 21.745 29.847 12.355 1.00 0.00 H new ATOM 788 N ALA A 86 19.736 26.762 8.871 1.00 0.00 N ATOM 789 CA ALA A 86 19.881 25.678 7.859 1.00 0.00 C ATOM 790 C ALA A 86 18.870 25.896 6.730 1.00 0.00 C ATOM 791 O ALA A 86 19.139 25.609 5.581 1.00 0.00 O ATOM 792 CB ALA A 86 19.621 24.322 8.521 1.00 0.00 C ATOM 0 H ALA A 86 19.262 26.491 9.733 1.00 0.00 H new ATOM 0 HA ALA A 86 20.892 25.695 7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.727 23.529 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 86 20.340 24.166 9.325 1.00 0.00 H new ATOM 0 HB3 ALA A 86 18.610 24.304 8.929 1.00 0.00 H new ATOM 798 N ASP A 87 17.711 26.403 7.048 1.00 0.00 N ATOM 799 CA ASP A 87 16.686 26.637 5.992 1.00 0.00 C ATOM 800 C ASP A 87 17.217 27.649 4.975 1.00 0.00 C ATOM 801 O ASP A 87 17.098 27.464 3.781 1.00 0.00 O ATOM 802 CB ASP A 87 15.410 27.183 6.635 1.00 0.00 C ATOM 803 CG ASP A 87 14.328 27.345 5.566 1.00 0.00 C ATOM 804 OD1 ASP A 87 14.588 26.986 4.429 1.00 0.00 O ATOM 805 OD2 ASP A 87 13.258 27.826 5.901 1.00 0.00 O ATOM 0 H ASP A 87 17.429 26.665 7.993 1.00 0.00 H new ATOM 0 HA ASP A 87 16.467 25.697 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.065 26.506 7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.612 28.142 7.111 1.00 0.00 H new ATOM 810 N GLN A 88 17.802 28.721 5.438 1.00 0.00 N ATOM 811 CA GLN A 88 18.337 29.744 4.495 1.00 0.00 C ATOM 812 C GLN A 88 19.547 29.174 3.752 1.00 0.00 C ATOM 813 O GLN A 88 19.689 29.341 2.557 1.00 0.00 O ATOM 814 CB GLN A 88 18.762 30.988 5.279 1.00 0.00 C ATOM 815 CG GLN A 88 19.132 32.106 4.301 1.00 0.00 C ATOM 816 CD GLN A 88 19.846 33.229 5.056 1.00 0.00 C ATOM 817 OE1 GLN A 88 20.804 32.987 5.762 1.00 0.00 O ATOM 818 NE2 GLN A 88 19.417 34.455 4.936 1.00 0.00 N ATOM 0 H GLN A 88 17.932 28.932 6.427 1.00 0.00 H new ATOM 0 HA GLN A 88 17.563 30.012 3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.952 31.314 5.931 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.612 30.754 5.919 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.777 31.716 3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.235 32.492 3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.612 34.658 4.343 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.886 35.211 5.435 1.00 0.00 H new ATOM 827 N ALA A 89 20.422 28.504 4.449 1.00 0.00 N ATOM 828 CA ALA A 89 21.623 27.927 3.782 1.00 0.00 C ATOM 829 C ALA A 89 21.207 26.729 2.925 1.00 0.00 C ATOM 830 O ALA A 89 21.738 26.507 1.855 1.00 0.00 O ATOM 831 CB ALA A 89 22.627 27.471 4.842 1.00 0.00 C ATOM 0 H ALA A 89 20.358 28.331 5.452 1.00 0.00 H new ATOM 0 HA ALA A 89 22.083 28.685 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.505 27.049 4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 89 22.925 28.324 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.167 26.714 5.478 1.00 0.00 H new ATOM 837 N VAL A 90 20.265 25.955 3.386 1.00 0.00 N ATOM 838 CA VAL A 90 19.819 24.771 2.597 1.00 0.00 C ATOM 839 C VAL A 90 19.074 25.238 1.345 1.00 0.00 C ATOM 840 O VAL A 90 19.320 24.767 0.253 1.00 0.00 O ATOM 841 CB VAL A 90 18.886 23.910 3.451 1.00 0.00 C ATOM 842 CG1 VAL A 90 18.256 22.823 2.578 1.00 0.00 C ATOM 843 CG2 VAL A 90 19.683 23.256 4.581 1.00 0.00 C ATOM 0 H VAL A 90 19.784 26.090 4.275 1.00 0.00 H new ATOM 0 HA VAL A 90 20.690 24.185 2.303 1.00 0.00 H new ATOM 0 HB VAL A 90 18.102 24.537 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.591 22.209 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.687 23.287 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.041 22.197 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 90 19.017 22.643 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.468 22.629 4.157 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.133 24.029 5.204 1.00 0.00 H new ATOM 853 N ALA A 91 18.161 26.157 1.495 1.00 0.00 N ATOM 854 CA ALA A 91 17.396 26.649 0.313 1.00 0.00 C ATOM 855 C ALA A 91 18.291 27.545 -0.546 1.00 0.00 C ATOM 856 O ALA A 91 18.114 27.650 -1.743 1.00 0.00 O ATOM 857 CB ALA A 91 16.186 27.454 0.791 1.00 0.00 C ATOM 0 H ALA A 91 17.911 26.589 2.384 1.00 0.00 H new ATOM 0 HA ALA A 91 17.062 25.797 -0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.625 27.815 -0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.544 26.818 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.525 28.303 1.384 1.00 0.00 H new ATOM 863 N GLU A 92 19.247 28.196 0.056 1.00 0.00 N ATOM 864 CA GLU A 92 20.146 29.088 -0.728 1.00 0.00 C ATOM 865 C GLU A 92 21.319 28.279 -1.288 1.00 0.00 C ATOM 866 O GLU A 92 21.629 28.350 -2.461 1.00 0.00 O ATOM 867 CB GLU A 92 20.679 30.196 0.181 1.00 0.00 C ATOM 868 CG GLU A 92 21.375 31.260 -0.667 1.00 0.00 C ATOM 869 CD GLU A 92 20.383 31.839 -1.676 1.00 0.00 C ATOM 870 OE1 GLU A 92 19.199 31.842 -1.378 1.00 0.00 O ATOM 871 OE2 GLU A 92 20.822 32.269 -2.730 1.00 0.00 O ATOM 0 H GLU A 92 19.445 28.149 1.056 1.00 0.00 H new ATOM 0 HA GLU A 92 19.587 29.528 -1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 92 19.861 30.643 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.377 29.781 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 92 21.764 32.053 -0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 92 22.227 30.824 -1.188 1.00 0.00 H new ATOM 878 N LEU A 93 21.975 27.514 -0.460 1.00 0.00 N ATOM 879 CA LEU A 93 23.128 26.705 -0.950 1.00 0.00 C ATOM 880 C LEU A 93 22.624 25.612 -1.894 1.00 0.00 C ATOM 881 O LEU A 93 23.236 25.319 -2.901 1.00 0.00 O ATOM 882 CB LEU A 93 23.843 26.064 0.241 1.00 0.00 C ATOM 883 CG LEU A 93 24.330 27.158 1.192 1.00 0.00 C ATOM 884 CD1 LEU A 93 24.710 26.535 2.537 1.00 0.00 C ATOM 885 CD2 LEU A 93 25.553 27.851 0.587 1.00 0.00 C ATOM 0 H LEU A 93 21.764 27.414 0.533 1.00 0.00 H new ATOM 0 HA LEU A 93 23.823 27.352 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 93 23.167 25.387 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.686 25.467 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 93 23.535 27.888 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 93 25.057 27.315 3.214 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.839 26.041 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.505 25.804 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.901 28.631 1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 93 26.348 27.120 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 93 25.283 28.296 -0.371 1.00 0.00 H new ATOM 897 N ASN A 94 21.513 25.006 -1.577 1.00 0.00 N ATOM 898 CA ASN A 94 20.973 23.932 -2.458 1.00 0.00 C ATOM 899 C ASN A 94 20.504 24.544 -3.780 1.00 0.00 C ATOM 900 O ASN A 94 19.743 25.491 -3.801 1.00 0.00 O ATOM 901 CB ASN A 94 19.793 23.248 -1.767 1.00 0.00 C ATOM 902 CG ASN A 94 19.415 21.981 -2.536 1.00 0.00 C ATOM 903 OD1 ASN A 94 20.209 21.453 -3.288 1.00 0.00 O ATOM 904 ND2 ASN A 94 18.226 21.467 -2.379 1.00 0.00 N ATOM 0 H ASN A 94 20.956 25.208 -0.747 1.00 0.00 H new ATOM 0 HA ASN A 94 21.754 23.197 -2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.055 22.997 -0.739 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.941 23.927 -1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.964 20.623 -2.888 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.558 21.910 -1.748 1.00 0.00 H new ATOM 911 N GLY A 95 20.953 24.011 -4.883 1.00 0.00 N ATOM 912 CA GLY A 95 20.533 24.564 -6.202 1.00 0.00 C ATOM 913 C GLY A 95 21.576 25.570 -6.692 1.00 0.00 C ATOM 914 O GLY A 95 21.306 26.393 -7.543 1.00 0.00 O ATOM 0 H GLY A 95 21.592 23.217 -4.928 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.422 23.758 -6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.560 25.048 -6.112 1.00 0.00 H new ATOM 918 N THR A 96 22.768 25.510 -6.163 1.00 0.00 N ATOM 919 CA THR A 96 23.826 26.463 -6.600 1.00 0.00 C ATOM 920 C THR A 96 25.012 25.683 -7.169 1.00 0.00 C ATOM 921 O THR A 96 25.300 24.579 -6.750 1.00 0.00 O ATOM 922 CB THR A 96 24.289 27.297 -5.403 1.00 0.00 C ATOM 923 OG1 THR A 96 25.071 26.485 -4.537 1.00 0.00 O ATOM 924 CG2 THR A 96 23.071 27.828 -4.646 1.00 0.00 C ATOM 0 H THR A 96 23.054 24.842 -5.447 1.00 0.00 H new ATOM 0 HA THR A 96 23.424 27.124 -7.368 1.00 0.00 H new ATOM 0 HB THR A 96 24.888 28.137 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.499 26.110 -3.835 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.402 28.422 -3.794 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.472 28.450 -5.311 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.469 26.991 -4.293 1.00 0.00 H new ATOM 932 N GLN A 97 25.705 26.248 -8.120 1.00 0.00 N ATOM 933 CA GLN A 97 26.872 25.537 -8.714 1.00 0.00 C ATOM 934 C GLN A 97 28.139 26.367 -8.498 1.00 0.00 C ATOM 935 O GLN A 97 28.124 27.577 -8.600 1.00 0.00 O ATOM 936 CB GLN A 97 26.640 25.342 -10.214 1.00 0.00 C ATOM 937 CG GLN A 97 27.752 24.464 -10.792 1.00 0.00 C ATOM 938 CD GLN A 97 27.568 24.340 -12.306 1.00 0.00 C ATOM 939 OE1 GLN A 97 26.565 24.765 -12.845 1.00 0.00 O ATOM 940 NE2 GLN A 97 28.501 23.772 -13.021 1.00 0.00 N ATOM 0 H GLN A 97 25.513 27.170 -8.511 1.00 0.00 H new ATOM 0 HA GLN A 97 26.988 24.565 -8.234 1.00 0.00 H new ATOM 0 HB2 GLN A 97 25.669 24.877 -10.385 1.00 0.00 H new ATOM 0 HB3 GLN A 97 26.625 26.308 -10.719 1.00 0.00 H new ATOM 0 HG2 GLN A 97 28.726 24.898 -10.568 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.728 23.477 -10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 97 29.343 23.415 -12.570 1.00 0.00 H new ATOM 0 HE22 GLN A 97 28.388 23.685 -14.031 1.00 0.00 H new ATOM 949 N VAL A 98 29.235 25.726 -8.200 1.00 0.00 N ATOM 950 CA VAL A 98 30.501 26.479 -7.978 1.00 0.00 C ATOM 951 C VAL A 98 31.144 26.800 -9.330 1.00 0.00 C ATOM 952 O VAL A 98 30.504 26.736 -10.361 1.00 0.00 O ATOM 953 CB VAL A 98 31.465 25.630 -7.141 1.00 0.00 C ATOM 954 CG1 VAL A 98 32.366 26.550 -6.313 1.00 0.00 C ATOM 955 CG2 VAL A 98 30.669 24.721 -6.203 1.00 0.00 C ATOM 0 H VAL A 98 29.309 24.714 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 98 30.284 27.406 -7.448 1.00 0.00 H new ATOM 0 HB VAL A 98 32.077 25.019 -7.804 1.00 0.00 H new ATOM 0 HG11 VAL A 98 33.052 25.948 -5.717 1.00 0.00 H new ATOM 0 HG12 VAL A 98 32.936 27.197 -6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 98 31.752 27.161 -5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 98 31.357 24.119 -5.609 1.00 0.00 H new ATOM 0 HG22 VAL A 98 30.055 25.331 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 98 30.027 24.065 -6.791 1.00 0.00 H new ATOM 965 N GLU A 99 32.401 27.146 -9.335 1.00 0.00 N ATOM 966 CA GLU A 99 33.078 27.470 -10.622 1.00 0.00 C ATOM 967 C GLU A 99 32.901 26.307 -11.601 1.00 0.00 C ATOM 968 O GLU A 99 32.728 26.503 -12.787 1.00 0.00 O ATOM 969 CB GLU A 99 34.570 27.701 -10.369 1.00 0.00 C ATOM 970 CG GLU A 99 34.752 28.932 -9.479 1.00 0.00 C ATOM 971 CD GLU A 99 36.244 29.223 -9.310 1.00 0.00 C ATOM 972 OE1 GLU A 99 37.039 28.394 -9.721 1.00 0.00 O ATOM 973 OE2 GLU A 99 36.566 30.268 -8.770 1.00 0.00 O ATOM 0 H GLU A 99 32.989 27.218 -8.504 1.00 0.00 H new ATOM 0 HA GLU A 99 32.637 28.372 -11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 99 35.008 26.825 -9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 99 35.093 27.843 -11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 99 34.251 29.792 -9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 99 34.291 28.762 -8.506 1.00 0.00 H new ATOM 980 N SER A 100 32.943 25.097 -11.112 1.00 0.00 N ATOM 981 CA SER A 100 32.776 23.924 -12.016 1.00 0.00 C ATOM 982 C SER A 100 32.263 22.728 -11.212 1.00 0.00 C ATOM 983 O SER A 100 32.470 21.588 -11.578 1.00 0.00 O ATOM 984 CB SER A 100 34.124 23.573 -12.649 1.00 0.00 C ATOM 985 OG SER A 100 33.917 23.102 -13.973 1.00 0.00 O ATOM 0 H SER A 100 33.085 24.871 -10.128 1.00 0.00 H new ATOM 0 HA SER A 100 32.059 24.168 -12.799 1.00 0.00 H new ATOM 0 HB2 SER A 100 34.772 24.450 -12.661 1.00 0.00 H new ATOM 0 HB3 SER A 100 34.629 22.811 -12.055 1.00 0.00 H new ATOM 0 HG SER A 100 34.780 22.878 -14.379 1.00 0.00 H new ATOM 991 N VAL A 101 31.597 22.977 -10.118 1.00 0.00 N ATOM 992 CA VAL A 101 31.073 21.853 -9.292 1.00 0.00 C ATOM 993 C VAL A 101 29.654 22.182 -8.823 1.00 0.00 C ATOM 994 O VAL A 101 29.217 23.314 -8.881 1.00 0.00 O ATOM 995 CB VAL A 101 31.978 21.648 -8.075 1.00 0.00 C ATOM 996 CG1 VAL A 101 31.455 20.477 -7.241 1.00 0.00 C ATOM 997 CG2 VAL A 101 33.403 21.344 -8.544 1.00 0.00 C ATOM 0 H VAL A 101 31.393 23.910 -9.760 1.00 0.00 H new ATOM 0 HA VAL A 101 31.056 20.941 -9.889 1.00 0.00 H new ATOM 0 HB VAL A 101 31.980 22.553 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 101 32.100 20.331 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 101 30.440 20.693 -6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 101 31.452 19.571 -7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 101 34.048 21.198 -7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 101 33.401 20.439 -9.151 1.00 0.00 H new ATOM 0 HG23 VAL A 101 33.776 22.178 -9.138 1.00 0.00 H new ATOM 1007 N GLN A 102 28.933 21.200 -8.356 1.00 0.00 N ATOM 1008 CA GLN A 102 27.544 21.455 -7.880 1.00 0.00 C ATOM 1009 C GLN A 102 27.441 21.092 -6.398 1.00 0.00 C ATOM 1010 O GLN A 102 28.075 20.166 -5.932 1.00 0.00 O ATOM 1011 CB GLN A 102 26.563 20.599 -8.686 1.00 0.00 C ATOM 1012 CG GLN A 102 26.632 20.998 -10.161 1.00 0.00 C ATOM 1013 CD GLN A 102 25.705 20.094 -10.977 1.00 0.00 C ATOM 1014 OE1 GLN A 102 25.263 19.069 -10.499 1.00 0.00 O ATOM 1015 NE2 GLN A 102 25.390 20.435 -12.196 1.00 0.00 N ATOM 0 H GLN A 102 29.246 20.232 -8.283 1.00 0.00 H new ATOM 0 HA GLN A 102 27.300 22.509 -8.014 1.00 0.00 H new ATOM 0 HB2 GLN A 102 26.807 19.543 -8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 102 25.550 20.735 -8.308 1.00 0.00 H new ATOM 0 HG2 GLN A 102 26.339 22.041 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 102 27.656 20.911 -10.525 1.00 0.00 H new ATOM 0 HE21 GLN A 102 25.762 21.296 -12.597 1.00 0.00 H new ATOM 0 HE22 GLN A 102 24.772 19.841 -12.748 1.00 0.00 H new ATOM 1024 N LEU A 103 26.651 21.815 -5.652 1.00 0.00 N ATOM 1025 CA LEU A 103 26.516 21.509 -4.200 1.00 0.00 C ATOM 1026 C LEU A 103 25.041 21.283 -3.858 1.00 0.00 C ATOM 1027 O LEU A 103 24.184 22.069 -4.209 1.00 0.00 O ATOM 1028 CB LEU A 103 27.055 22.681 -3.381 1.00 0.00 C ATOM 1029 CG LEU A 103 28.205 22.197 -2.495 1.00 0.00 C ATOM 1030 CD1 LEU A 103 29.533 22.701 -3.064 1.00 0.00 C ATOM 1031 CD2 LEU A 103 28.020 22.741 -1.076 1.00 0.00 C ATOM 0 H LEU A 103 26.094 22.603 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 103 27.084 20.609 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 103 27.401 23.473 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 103 26.261 23.105 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 103 28.210 21.107 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 103 30.353 22.357 -2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 103 29.666 22.315 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 103 29.528 23.791 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 103 28.839 22.396 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 103 28.015 23.831 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 103 27.074 22.384 -0.670 1.00 0.00 H new ATOM 1043 N LYS A 104 24.742 20.215 -3.170 1.00 0.00 N ATOM 1044 CA LYS A 104 23.326 19.938 -2.799 1.00 0.00 C ATOM 1045 C LYS A 104 23.196 19.933 -1.275 1.00 0.00 C ATOM 1046 O LYS A 104 23.924 19.249 -0.583 1.00 0.00 O ATOM 1047 CB LYS A 104 22.911 18.573 -3.352 1.00 0.00 C ATOM 1048 CG LYS A 104 22.924 18.619 -4.882 1.00 0.00 C ATOM 1049 CD LYS A 104 22.410 17.290 -5.438 1.00 0.00 C ATOM 1050 CE LYS A 104 22.519 17.300 -6.963 1.00 0.00 C ATOM 1051 NZ LYS A 104 21.153 17.306 -7.559 1.00 0.00 N ATOM 0 H LYS A 104 25.418 19.522 -2.849 1.00 0.00 H new ATOM 0 HA LYS A 104 22.680 20.709 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 104 23.593 17.801 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 104 21.916 18.310 -2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 104 22.300 19.439 -5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 104 23.935 18.809 -5.242 1.00 0.00 H new ATOM 0 HD2 LYS A 104 22.989 16.463 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 104 21.374 17.134 -5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 104 23.075 18.178 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 104 23.072 16.425 -7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.227 17.313 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.638 16.456 -7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.640 18.154 -7.243 1.00 0.00 H new ATOM 1065 N VAL A 105 22.281 20.697 -0.745 1.00 0.00 N ATOM 1066 CA VAL A 105 22.113 20.736 0.735 1.00 0.00 C ATOM 1067 C VAL A 105 20.845 19.978 1.131 1.00 0.00 C ATOM 1068 O VAL A 105 19.860 19.978 0.418 1.00 0.00 O ATOM 1069 CB VAL A 105 22.001 22.191 1.195 1.00 0.00 C ATOM 1070 CG1 VAL A 105 22.119 22.255 2.718 1.00 0.00 C ATOM 1071 CG2 VAL A 105 23.126 23.013 0.561 1.00 0.00 C ATOM 0 H VAL A 105 21.644 21.295 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 105 22.975 20.267 1.209 1.00 0.00 H new ATOM 0 HB VAL A 105 21.037 22.596 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 105 22.039 23.291 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 105 21.319 21.669 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 105 23.083 21.850 3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 105 23.048 24.050 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 105 24.090 22.608 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 105 23.042 22.967 -0.525 1.00 0.00 H new