USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 408 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 32 TYR OH : rot -101:sc= -1.61! USER MOD Set 1.2: A 65 HIS : no HE2:sc= -7.27! C(o=-8.9!,f=-12!) USER MOD Set 2.1: A 20 TYR OH : rot -107:sc= 0.0765 USER MOD Set 2.2: A 62 ASN : amide:sc= -4.06! C(o=-4!,f=-4.4!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 56:sc= -2.48! USER MOD Single : A 9 THR OG1 : rot 37:sc= 0.0286 USER MOD Single : A 10 THR OG1 : rot 88:sc= 0.411 USER MOD Single : A 11 ASN : amide:sc= -3.64! C(o=-3.6!,f=-7.5!) USER MOD Single : A 25 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.3) USER MOD Single : A 26 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1.5!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0418 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -122:sc= -2.29! (180deg=-6.63!) USER MOD Single : A 49 ASN :FLIP amide:sc= 0.0144 F(o=-5.6!,f=0.014) USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= -0.791 (180deg=-1.45) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 56 LYS NZ :NH3+ -132:sc= 0.835 (180deg=-0.618) USER MOD Single : A 64 SER OG : rot 180:sc= -0.239 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 3.736 -5.949 -4.242 1.00 0.00 N ATOM 31 CA THR A 3 3.479 -6.282 -5.639 1.00 0.00 C ATOM 32 C THR A 3 3.306 -7.783 -5.816 1.00 0.00 C ATOM 33 O THR A 3 3.914 -8.581 -5.104 1.00 0.00 O ATOM 34 CB THR A 3 4.638 -5.796 -6.512 1.00 0.00 C ATOM 35 OG1 THR A 3 4.303 -5.971 -7.883 1.00 0.00 O ATOM 36 CG2 THR A 3 5.896 -6.605 -6.188 1.00 0.00 C ATOM 0 HA THR A 3 2.557 -5.786 -5.943 1.00 0.00 H new ATOM 0 HB THR A 3 4.824 -4.740 -6.314 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.044 -5.658 -8.443 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.721 -6.259 -6.810 1.00 0.00 H new ATOM 0 HG22 THR A 3 6.153 -6.473 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.711 -7.661 -6.386 1.00 0.00 H new ATOM 44 N PHE A 4 2.465 -8.154 -6.775 1.00 0.00 N ATOM 45 CA PHE A 4 2.202 -9.559 -7.049 1.00 0.00 C ATOM 46 C PHE A 4 2.700 -9.937 -8.437 1.00 0.00 C ATOM 47 O PHE A 4 2.564 -9.168 -9.389 1.00 0.00 O ATOM 48 CB PHE A 4 0.698 -9.827 -6.956 1.00 0.00 C ATOM 49 CG PHE A 4 0.218 -9.558 -5.549 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.300 -8.301 -5.213 1.00 0.00 C ATOM 51 CD2 PHE A 4 0.286 -10.568 -4.583 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.747 -8.053 -3.909 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.162 -10.320 -3.280 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.678 -9.064 -2.943 1.00 0.00 C ATOM 0 H PHE A 4 1.956 -7.503 -7.373 1.00 0.00 H new ATOM 0 HA PHE A 4 2.731 -10.162 -6.311 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.162 -9.192 -7.661 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.485 -10.860 -7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.355 -7.523 -5.960 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.684 -11.538 -4.842 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.144 -7.083 -3.649 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.109 -11.099 -2.534 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.023 -8.874 -1.937 1.00 0.00 H new ATOM 64 N THR A 5 3.284 -11.124 -8.540 1.00 0.00 N ATOM 65 CA THR A 5 3.810 -11.595 -9.814 1.00 0.00 C ATOM 66 C THR A 5 3.240 -12.969 -10.156 1.00 0.00 C ATOM 67 O THR A 5 2.790 -13.702 -9.277 1.00 0.00 O ATOM 68 CB THR A 5 5.334 -11.674 -9.741 1.00 0.00 C ATOM 69 OG1 THR A 5 5.711 -12.604 -8.733 1.00 0.00 O ATOM 70 CG2 THR A 5 5.903 -10.296 -9.404 1.00 0.00 C ATOM 0 H THR A 5 3.405 -11.774 -7.763 1.00 0.00 H new ATOM 0 HA THR A 5 3.516 -10.893 -10.594 1.00 0.00 H new ATOM 0 HB THR A 5 5.727 -12.001 -10.704 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.688 -12.657 -8.686 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.990 -10.354 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.614 -9.584 -10.177 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.511 -9.966 -8.442 1.00 0.00 H new ATOM 78 N SER A 6 3.261 -13.307 -11.443 1.00 0.00 N ATOM 79 CA SER A 6 2.741 -14.593 -11.892 1.00 0.00 C ATOM 80 C SER A 6 3.458 -15.055 -13.158 1.00 0.00 C ATOM 81 O SER A 6 3.842 -14.242 -13.999 1.00 0.00 O ATOM 82 CB SER A 6 1.240 -14.481 -12.163 1.00 0.00 C ATOM 83 OG SER A 6 0.748 -15.739 -12.603 1.00 0.00 O ATOM 0 H SER A 6 3.629 -12.713 -12.186 1.00 0.00 H new ATOM 0 HA SER A 6 2.916 -15.327 -11.106 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.718 -14.169 -11.259 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.051 -13.719 -12.919 1.00 0.00 H new ATOM 0 HG SER A 6 0.971 -16.427 -11.942 1.00 0.00 H new ATOM 89 N ILE A 7 3.619 -16.368 -13.291 1.00 0.00 N ATOM 90 CA ILE A 7 4.272 -16.955 -14.457 1.00 0.00 C ATOM 91 C ILE A 7 3.511 -18.215 -14.860 1.00 0.00 C ATOM 92 O ILE A 7 2.967 -18.905 -13.998 1.00 0.00 O ATOM 93 CB ILE A 7 5.725 -17.309 -14.128 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.490 -16.033 -13.769 1.00 0.00 C ATOM 95 CG2 ILE A 7 6.376 -17.968 -15.344 1.00 0.00 C ATOM 96 CD1 ILE A 7 7.860 -16.403 -13.198 1.00 0.00 C ATOM 0 H ILE A 7 3.304 -17.050 -12.601 1.00 0.00 H new ATOM 0 HA ILE A 7 4.269 -16.238 -15.278 1.00 0.00 H new ATOM 0 HB ILE A 7 5.750 -17.998 -13.284 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.610 -15.407 -14.653 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.926 -15.451 -13.040 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.410 -18.220 -15.111 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.830 -18.876 -15.602 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.352 -17.278 -16.188 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.405 -15.494 -12.942 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.729 -17.012 -12.303 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.424 -16.967 -13.941 1.00 0.00 H new ATOM 108 N VAL A 8 3.458 -18.527 -16.152 1.00 0.00 N ATOM 109 CA VAL A 8 2.737 -19.720 -16.577 1.00 0.00 C ATOM 110 C VAL A 8 3.608 -20.961 -16.408 1.00 0.00 C ATOM 111 O VAL A 8 4.514 -21.221 -17.200 1.00 0.00 O ATOM 112 CB VAL A 8 2.321 -19.585 -18.042 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.596 -20.857 -18.485 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.381 -18.386 -18.197 1.00 0.00 C ATOM 0 H VAL A 8 3.892 -17.988 -16.902 1.00 0.00 H new ATOM 0 HA VAL A 8 1.848 -19.825 -15.955 1.00 0.00 H new ATOM 0 HB VAL A 8 3.207 -19.436 -18.659 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.299 -20.762 -19.529 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.262 -21.713 -18.374 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.710 -21.004 -17.868 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.084 -18.289 -19.241 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.495 -18.536 -17.580 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.894 -17.478 -17.880 1.00 0.00 H new ATOM 124 N THR A 9 3.303 -21.724 -15.369 1.00 0.00 N ATOM 125 CA THR A 9 4.022 -22.955 -15.066 1.00 0.00 C ATOM 126 C THR A 9 3.097 -23.903 -14.320 1.00 0.00 C ATOM 127 O THR A 9 2.300 -23.454 -13.495 1.00 0.00 O ATOM 128 CB THR A 9 5.243 -22.651 -14.197 1.00 0.00 C ATOM 129 OG1 THR A 9 6.399 -22.562 -15.018 1.00 0.00 O ATOM 130 CG2 THR A 9 5.421 -23.766 -13.165 1.00 0.00 C ATOM 0 H THR A 9 2.552 -21.509 -14.713 1.00 0.00 H new ATOM 0 HA THR A 9 4.354 -23.414 -15.997 1.00 0.00 H new ATOM 0 HB THR A 9 5.099 -21.702 -13.680 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.164 -22.135 -15.868 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.291 -23.552 -12.544 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.532 -23.825 -12.537 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.567 -24.717 -13.678 1.00 0.00 H new ATOM 138 N THR A 10 3.189 -25.204 -14.575 1.00 0.00 N ATOM 139 CA THR A 10 2.316 -26.116 -13.854 1.00 0.00 C ATOM 140 C THR A 10 3.112 -27.137 -13.048 1.00 0.00 C ATOM 141 O THR A 10 3.474 -28.201 -13.549 1.00 0.00 O ATOM 142 CB THR A 10 1.429 -26.851 -14.858 1.00 0.00 C ATOM 143 OG1 THR A 10 1.250 -28.198 -14.440 1.00 0.00 O ATOM 144 CG2 THR A 10 2.097 -26.825 -16.235 1.00 0.00 C ATOM 0 H THR A 10 3.828 -25.634 -15.244 1.00 0.00 H new ATOM 0 HA THR A 10 1.712 -25.533 -13.158 1.00 0.00 H new ATOM 0 HB THR A 10 0.457 -26.361 -14.914 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.480 -28.254 -13.836 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.468 -27.348 -16.955 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.232 -25.792 -16.555 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.068 -27.316 -16.178 1.00 0.00 H new ATOM 152 N ASN A 11 3.379 -26.793 -11.791 1.00 0.00 N ATOM 153 CA ASN A 11 4.136 -27.667 -10.903 1.00 0.00 C ATOM 154 C ASN A 11 3.461 -27.769 -9.542 1.00 0.00 C ATOM 155 O ASN A 11 3.951 -27.220 -8.555 1.00 0.00 O ATOM 156 CB ASN A 11 5.559 -27.131 -10.732 1.00 0.00 C ATOM 157 CG ASN A 11 6.260 -27.077 -12.084 1.00 0.00 C ATOM 158 OD1 ASN A 11 6.664 -26.004 -12.534 1.00 0.00 O ATOM 159 ND2 ASN A 11 6.428 -28.178 -12.765 1.00 0.00 N ATOM 0 H ASN A 11 3.082 -25.915 -11.365 1.00 0.00 H new ATOM 0 HA ASN A 11 4.173 -28.661 -11.349 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.531 -26.136 -10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.118 -27.770 -10.048 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.895 -28.151 -13.672 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.093 -29.066 -12.390 1.00 0.00 H new ATOM 246 N GLU A 18 2.729 -23.058 -1.999 1.00 0.00 N ATOM 247 CA GLU A 18 2.456 -22.495 -3.317 1.00 0.00 C ATOM 248 C GLU A 18 0.972 -22.611 -3.639 1.00 0.00 C ATOM 249 O GLU A 18 0.333 -23.605 -3.296 1.00 0.00 O ATOM 250 CB GLU A 18 3.268 -23.221 -4.389 1.00 0.00 C ATOM 251 CG GLU A 18 4.761 -23.093 -4.074 1.00 0.00 C ATOM 252 CD GLU A 18 5.192 -21.634 -4.177 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.493 -20.874 -4.828 1.00 0.00 O ATOM 254 OE2 GLU A 18 6.214 -21.298 -3.602 1.00 0.00 O ATOM 0 HA GLU A 18 2.743 -21.444 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.982 -24.272 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.055 -22.797 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.963 -23.471 -3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.341 -23.702 -4.767 1.00 0.00 H new ATOM 261 N PHE A 19 0.422 -21.597 -4.296 1.00 0.00 N ATOM 262 CA PHE A 19 -0.991 -21.619 -4.648 1.00 0.00 C ATOM 263 C PHE A 19 -1.158 -21.591 -6.164 1.00 0.00 C ATOM 264 O PHE A 19 -0.597 -20.732 -6.843 1.00 0.00 O ATOM 265 CB PHE A 19 -1.698 -20.410 -4.036 1.00 0.00 C ATOM 266 CG PHE A 19 -3.184 -20.536 -4.264 1.00 0.00 C ATOM 267 CD1 PHE A 19 -3.774 -19.962 -5.395 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.972 -21.235 -3.340 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.154 -20.085 -5.602 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.351 -21.357 -3.548 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.943 -20.782 -4.679 1.00 0.00 C ATOM 0 H PHE A 19 0.925 -20.761 -4.592 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.434 -22.535 -4.257 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.486 -20.351 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.326 -19.490 -4.486 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.166 -19.425 -6.108 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.516 -21.679 -2.468 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.610 -19.642 -6.475 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.959 -21.895 -2.836 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.007 -20.876 -4.839 1.00 0.00 H new ATOM 281 N TYR A 20 -1.933 -22.534 -6.691 1.00 0.00 N ATOM 282 CA TYR A 20 -2.160 -22.598 -8.131 1.00 0.00 C ATOM 283 C TYR A 20 -3.651 -22.567 -8.446 1.00 0.00 C ATOM 284 O TYR A 20 -4.443 -23.255 -7.801 1.00 0.00 O ATOM 285 CB TYR A 20 -1.571 -23.892 -8.699 1.00 0.00 C ATOM 286 CG TYR A 20 -0.084 -23.937 -8.454 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.793 -23.327 -9.357 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.419 -24.600 -7.328 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.174 -23.378 -9.134 1.00 0.00 C ATOM 290 CE2 TYR A 20 1.800 -24.650 -7.104 1.00 0.00 C ATOM 291 CZ TYR A 20 2.678 -24.041 -8.008 1.00 0.00 C ATOM 292 OH TYR A 20 4.039 -24.091 -7.788 1.00 0.00 O ATOM 0 H TYR A 20 -2.409 -23.256 -6.151 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.675 -21.733 -8.584 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.050 -24.753 -8.234 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.773 -23.954 -9.768 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.405 -22.817 -10.226 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.258 -25.073 -6.632 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.851 -22.906 -9.831 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.188 -25.158 -6.234 1.00 0.00 H new ATOM 0 HH TYR A 20 4.366 -24.998 -7.966 1.00 0.00 H new ATOM 302 N VAL A 21 -4.029 -21.782 -9.450 1.00 0.00 N ATOM 303 CA VAL A 21 -5.429 -21.698 -9.843 1.00 0.00 C ATOM 304 C VAL A 21 -5.730 -22.740 -10.912 1.00 0.00 C ATOM 305 O VAL A 21 -5.166 -22.701 -12.005 1.00 0.00 O ATOM 306 CB VAL A 21 -5.750 -20.306 -10.397 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.188 -20.289 -10.919 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.612 -19.263 -9.288 1.00 0.00 C ATOM 0 H VAL A 21 -3.394 -21.203 -9.999 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.044 -21.883 -8.962 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.057 -20.073 -11.205 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.420 -19.300 -11.314 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.297 -21.030 -11.711 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.873 -20.524 -10.105 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.841 -18.275 -9.687 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.305 -19.498 -8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.591 -19.272 -8.905 1.00 0.00 H new ATOM 318 N GLU A 22 -6.624 -23.667 -10.594 1.00 0.00 N ATOM 319 CA GLU A 22 -6.991 -24.707 -11.542 1.00 0.00 C ATOM 320 C GLU A 22 -7.683 -24.086 -12.747 1.00 0.00 C ATOM 321 O GLU A 22 -8.542 -23.217 -12.596 1.00 0.00 O ATOM 322 CB GLU A 22 -7.920 -25.723 -10.875 1.00 0.00 C ATOM 323 CG GLU A 22 -8.239 -26.848 -11.860 1.00 0.00 C ATOM 324 CD GLU A 22 -9.131 -27.888 -11.191 1.00 0.00 C ATOM 325 OE1 GLU A 22 -9.474 -28.857 -11.849 1.00 0.00 O ATOM 326 OE2 GLU A 22 -9.460 -27.699 -10.032 1.00 0.00 O ATOM 0 H GLU A 22 -7.104 -23.719 -9.695 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.087 -25.219 -11.873 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.448 -26.131 -9.981 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.840 -25.234 -10.555 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.737 -26.442 -12.740 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.316 -27.315 -12.203 1.00 0.00 H new ATOM 333 N ALA A 23 -7.304 -24.520 -13.943 1.00 0.00 N ATOM 334 CA ALA A 23 -7.905 -23.971 -15.150 1.00 0.00 C ATOM 335 C ALA A 23 -9.420 -23.945 -15.003 1.00 0.00 C ATOM 336 O ALA A 23 -10.038 -24.950 -14.653 1.00 0.00 O ATOM 337 CB ALA A 23 -7.519 -24.819 -16.363 1.00 0.00 C ATOM 0 H ALA A 23 -6.596 -25.237 -14.101 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.538 -22.955 -15.297 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.974 -24.399 -17.260 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.435 -24.823 -16.474 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.873 -25.840 -16.221 1.00 0.00 H new ATOM 343 N GLY A 24 -10.012 -22.785 -15.261 1.00 0.00 N ATOM 344 CA GLY A 24 -11.455 -22.637 -15.140 1.00 0.00 C ATOM 345 C GLY A 24 -11.863 -22.540 -13.673 1.00 0.00 C ATOM 346 O GLY A 24 -13.038 -22.678 -13.336 1.00 0.00 O ATOM 0 H GLY A 24 -9.519 -21.941 -15.553 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.781 -21.744 -15.674 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.954 -23.487 -15.606 1.00 0.00 H new ATOM 350 N GLN A 25 -10.882 -22.309 -12.802 1.00 0.00 N ATOM 351 CA GLN A 25 -11.150 -22.203 -11.372 1.00 0.00 C ATOM 352 C GLN A 25 -10.979 -20.763 -10.901 1.00 0.00 C ATOM 353 O GLN A 25 -10.006 -20.097 -11.252 1.00 0.00 O ATOM 354 CB GLN A 25 -10.199 -23.113 -10.593 1.00 0.00 C ATOM 355 CG GLN A 25 -10.595 -23.116 -9.115 1.00 0.00 C ATOM 356 CD GLN A 25 -12.005 -23.676 -8.955 1.00 0.00 C ATOM 357 OE1 GLN A 25 -12.282 -24.793 -9.391 1.00 0.00 O ATOM 358 NE2 GLN A 25 -12.916 -22.961 -8.354 1.00 0.00 N ATOM 0 H GLN A 25 -9.902 -22.193 -13.060 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.179 -22.513 -11.190 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.238 -24.126 -10.993 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.172 -22.765 -10.705 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.889 -23.717 -8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.549 -22.103 -8.716 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.683 -22.036 -7.994 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.862 -23.327 -8.244 1.00 0.00 H new ATOM 367 N GLN A 26 -11.934 -20.289 -10.109 1.00 0.00 N ATOM 368 CA GLN A 26 -11.876 -18.924 -9.604 1.00 0.00 C ATOM 369 C GLN A 26 -10.897 -18.820 -8.438 1.00 0.00 C ATOM 370 O GLN A 26 -11.033 -19.518 -7.434 1.00 0.00 O ATOM 371 CB GLN A 26 -13.265 -18.479 -9.143 1.00 0.00 C ATOM 372 CG GLN A 26 -14.177 -18.310 -10.360 1.00 0.00 C ATOM 373 CD GLN A 26 -15.614 -18.071 -9.905 1.00 0.00 C ATOM 374 OE1 GLN A 26 -16.013 -18.538 -8.839 1.00 0.00 O ATOM 375 NE2 GLN A 26 -16.417 -17.368 -10.654 1.00 0.00 N ATOM 0 H GLN A 26 -12.748 -20.823 -9.806 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.532 -18.276 -10.410 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.686 -19.216 -8.459 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.194 -17.539 -8.595 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -13.835 -17.472 -10.968 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -14.129 -19.200 -10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.083 -16.982 -11.537 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -17.379 -17.204 -10.357 1.00 0.00 H new ATOM 384 N PHE A 27 -9.914 -17.941 -8.586 1.00 0.00 N ATOM 385 CA PHE A 27 -8.911 -17.740 -7.547 1.00 0.00 C ATOM 386 C PHE A 27 -9.554 -17.217 -6.271 1.00 0.00 C ATOM 387 O PHE A 27 -10.290 -16.231 -6.290 1.00 0.00 O ATOM 388 CB PHE A 27 -7.853 -16.744 -8.032 1.00 0.00 C ATOM 389 CG PHE A 27 -6.883 -16.446 -6.915 1.00 0.00 C ATOM 390 CD1 PHE A 27 -7.012 -15.264 -6.175 1.00 0.00 C ATOM 391 CD2 PHE A 27 -5.855 -17.347 -6.618 1.00 0.00 C ATOM 392 CE1 PHE A 27 -6.115 -14.983 -5.140 1.00 0.00 C ATOM 393 CE2 PHE A 27 -4.955 -17.066 -5.582 1.00 0.00 C ATOM 394 CZ PHE A 27 -5.085 -15.885 -4.842 1.00 0.00 C ATOM 0 H PHE A 27 -9.790 -17.357 -9.413 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.440 -18.700 -7.333 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.320 -17.154 -8.890 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.332 -15.824 -8.365 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.806 -14.568 -6.404 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.755 -18.259 -7.187 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.216 -14.071 -4.570 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.160 -17.761 -5.354 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.392 -15.669 -4.042 1.00 0.00 H new ATOM 404 N ASP A 28 -9.268 -17.890 -5.163 1.00 0.00 N ATOM 405 CA ASP A 28 -9.819 -17.490 -3.879 1.00 0.00 C ATOM 406 C ASP A 28 -8.883 -16.508 -3.184 1.00 0.00 C ATOM 407 O ASP A 28 -7.761 -16.856 -2.818 1.00 0.00 O ATOM 408 CB ASP A 28 -10.017 -18.723 -2.999 1.00 0.00 C ATOM 409 CG ASP A 28 -11.177 -19.560 -3.525 1.00 0.00 C ATOM 410 OD1 ASP A 28 -11.311 -20.693 -3.091 1.00 0.00 O ATOM 411 OD2 ASP A 28 -11.917 -19.056 -4.355 1.00 0.00 O ATOM 0 H ASP A 28 -8.662 -18.710 -5.130 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.780 -17.003 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.105 -19.320 -2.985 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.215 -18.418 -1.971 1.00 0.00 H new ATOM 416 N ASP A 29 -9.352 -15.278 -3.014 1.00 0.00 N ATOM 417 CA ASP A 29 -8.550 -14.245 -2.371 1.00 0.00 C ATOM 418 C ASP A 29 -8.459 -14.472 -0.865 1.00 0.00 C ATOM 419 O ASP A 29 -7.530 -13.994 -0.215 1.00 0.00 O ATOM 420 CB ASP A 29 -9.165 -12.871 -2.639 1.00 0.00 C ATOM 421 CG ASP A 29 -10.582 -12.816 -2.078 1.00 0.00 C ATOM 422 OD1 ASP A 29 -11.226 -11.794 -2.250 1.00 0.00 O ATOM 423 OD2 ASP A 29 -11.002 -13.795 -1.486 1.00 0.00 O ATOM 0 H ASP A 29 -10.279 -14.973 -3.311 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.544 -14.291 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.553 -12.094 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.181 -12.673 -3.711 1.00 0.00 H new ATOM 428 N SER A 30 -9.428 -15.193 -0.310 1.00 0.00 N ATOM 429 CA SER A 30 -9.433 -15.454 1.125 1.00 0.00 C ATOM 430 C SER A 30 -8.287 -16.376 1.530 1.00 0.00 C ATOM 431 O SER A 30 -7.644 -16.161 2.557 1.00 0.00 O ATOM 432 CB SER A 30 -10.763 -16.088 1.532 1.00 0.00 C ATOM 433 OG SER A 30 -10.905 -17.341 0.875 1.00 0.00 O ATOM 0 H SER A 30 -10.209 -15.602 -0.823 1.00 0.00 H new ATOM 0 HA SER A 30 -9.302 -14.501 1.638 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.799 -16.225 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.590 -15.429 1.267 1.00 0.00 H new ATOM 0 HG SER A 30 -11.756 -17.752 1.135 1.00 0.00 H new ATOM 439 N ALA A 31 -8.035 -17.407 0.726 1.00 0.00 N ATOM 440 CA ALA A 31 -6.967 -18.354 1.029 1.00 0.00 C ATOM 441 C ALA A 31 -5.600 -17.681 0.996 1.00 0.00 C ATOM 442 O ALA A 31 -4.742 -17.958 1.833 1.00 0.00 O ATOM 443 CB ALA A 31 -6.992 -19.503 0.017 1.00 0.00 C ATOM 0 H ALA A 31 -8.550 -17.606 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.135 -18.739 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.193 -20.208 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.953 -20.014 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.848 -19.106 -0.988 1.00 0.00 H new ATOM 449 N TYR A 32 -5.399 -16.806 0.016 1.00 0.00 N ATOM 450 CA TYR A 32 -4.122 -16.115 -0.121 1.00 0.00 C ATOM 451 C TYR A 32 -3.823 -15.289 1.124 1.00 0.00 C ATOM 452 O TYR A 32 -2.728 -15.362 1.682 1.00 0.00 O ATOM 453 CB TYR A 32 -4.151 -15.198 -1.344 1.00 0.00 C ATOM 454 CG TYR A 32 -2.805 -14.533 -1.500 1.00 0.00 C ATOM 455 CD1 TYR A 32 -1.783 -15.184 -2.199 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.578 -13.269 -0.944 1.00 0.00 C ATOM 457 CE1 TYR A 32 -0.533 -14.572 -2.345 1.00 0.00 C ATOM 458 CE2 TYR A 32 -1.326 -12.657 -1.088 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.305 -13.307 -1.790 1.00 0.00 C ATOM 460 OH TYR A 32 0.927 -12.704 -1.931 1.00 0.00 O ATOM 0 H TYR A 32 -6.095 -16.560 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.340 -16.864 -0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.391 -15.773 -2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.931 -14.445 -1.230 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.959 -16.160 -2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.367 -12.766 -0.405 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.255 -15.075 -2.885 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.149 -11.683 -0.657 1.00 0.00 H new ATOM 0 HH TYR A 32 1.440 -12.811 -1.103 1.00 0.00 H new ATOM 470 N GLU A 33 -4.805 -14.509 1.562 1.00 0.00 N ATOM 471 CA GLU A 33 -4.627 -13.685 2.750 1.00 0.00 C ATOM 472 C GLU A 33 -4.588 -14.564 3.996 1.00 0.00 C ATOM 473 O GLU A 33 -4.023 -14.182 5.019 1.00 0.00 O ATOM 474 CB GLU A 33 -5.765 -12.668 2.863 1.00 0.00 C ATOM 475 CG GLU A 33 -7.076 -13.396 3.158 1.00 0.00 C ATOM 476 CD GLU A 33 -8.228 -12.397 3.208 1.00 0.00 C ATOM 477 OE1 GLU A 33 -7.972 -11.220 3.011 1.00 0.00 O ATOM 478 OE2 GLU A 33 -9.345 -12.823 3.443 1.00 0.00 O ATOM 0 H GLU A 33 -5.720 -14.430 1.119 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.682 -13.148 2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.549 -11.952 3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.853 -12.101 1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.266 -14.145 2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.002 -13.926 4.108 1.00 0.00 H new ATOM 485 N GLU A 34 -5.197 -15.743 3.900 1.00 0.00 N ATOM 486 CA GLU A 34 -5.230 -16.668 5.026 1.00 0.00 C ATOM 487 C GLU A 34 -3.817 -17.098 5.416 1.00 0.00 C ATOM 488 O GLU A 34 -3.466 -17.104 6.597 1.00 0.00 O ATOM 489 CB GLU A 34 -6.056 -17.902 4.662 1.00 0.00 C ATOM 490 CG GLU A 34 -6.082 -18.868 5.849 1.00 0.00 C ATOM 491 CD GLU A 34 -6.769 -18.211 7.040 1.00 0.00 C ATOM 492 OE1 GLU A 34 -7.491 -17.251 6.827 1.00 0.00 O ATOM 493 OE2 GLU A 34 -6.563 -18.678 8.150 1.00 0.00 O ATOM 0 H GLU A 34 -5.670 -16.077 3.061 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.687 -16.158 5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.071 -17.608 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.628 -18.394 3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.609 -19.782 5.573 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.065 -19.155 6.118 1.00 0.00 H new ATOM 500 N ALA A 35 -3.009 -17.453 4.421 1.00 0.00 N ATOM 501 CA ALA A 35 -1.638 -17.877 4.683 1.00 0.00 C ATOM 502 C ALA A 35 -0.702 -16.673 4.692 1.00 0.00 C ATOM 503 O ALA A 35 0.166 -16.550 5.556 1.00 0.00 O ATOM 504 CB ALA A 35 -1.183 -18.870 3.612 1.00 0.00 C ATOM 0 H ALA A 35 -3.276 -17.456 3.437 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.606 -18.359 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.158 -19.181 3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.836 -19.743 3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.230 -18.395 2.632 1.00 0.00 H new ATOM 510 N TYR A 36 -0.892 -15.785 3.722 1.00 0.00 N ATOM 511 CA TYR A 36 -0.066 -14.590 3.620 1.00 0.00 C ATOM 512 C TYR A 36 -0.470 -13.571 4.680 1.00 0.00 C ATOM 513 O TYR A 36 0.343 -12.756 5.112 1.00 0.00 O ATOM 514 CB TYR A 36 -0.203 -13.973 2.225 1.00 0.00 C ATOM 515 CG TYR A 36 0.492 -14.857 1.216 1.00 0.00 C ATOM 516 CD1 TYR A 36 -0.257 -15.692 0.379 1.00 0.00 C ATOM 517 CD2 TYR A 36 1.889 -14.845 1.122 1.00 0.00 C ATOM 518 CE1 TYR A 36 0.391 -16.514 -0.552 1.00 0.00 C ATOM 519 CE2 TYR A 36 2.536 -15.665 0.193 1.00 0.00 C ATOM 520 CZ TYR A 36 1.788 -16.500 -0.646 1.00 0.00 C ATOM 521 OH TYR A 36 2.426 -17.309 -1.563 1.00 0.00 O ATOM 0 H TYR A 36 -1.607 -15.870 2.999 1.00 0.00 H new ATOM 0 HA TYR A 36 0.974 -14.873 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.256 -13.864 1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.234 -12.974 2.212 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.335 -15.703 0.451 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.467 -14.201 1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.187 -17.159 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.614 -15.654 0.122 1.00 0.00 H new ATOM 0 HH TYR A 36 3.395 -17.176 -1.498 1.00 0.00 H new ATOM 531 N GLY A 37 -1.731 -13.629 5.097 1.00 0.00 N ATOM 532 CA GLY A 37 -2.229 -12.708 6.112 1.00 0.00 C ATOM 533 C GLY A 37 -2.481 -11.326 5.523 1.00 0.00 C ATOM 534 O GLY A 37 -2.590 -10.342 6.253 1.00 0.00 O ATOM 0 H GLY A 37 -2.420 -14.297 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.153 -13.098 6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.507 -12.634 6.926 1.00 0.00 H new ATOM 538 N VAL A 38 -2.576 -11.256 4.198 1.00 0.00 N ATOM 539 CA VAL A 38 -2.820 -9.979 3.540 1.00 0.00 C ATOM 540 C VAL A 38 -3.938 -10.092 2.507 1.00 0.00 C ATOM 541 O VAL A 38 -4.028 -11.074 1.770 1.00 0.00 O ATOM 542 CB VAL A 38 -1.542 -9.495 2.854 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.458 -9.249 3.906 1.00 0.00 C ATOM 544 CG2 VAL A 38 -1.058 -10.559 1.867 1.00 0.00 C ATOM 0 H VAL A 38 -2.489 -12.054 3.569 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.126 -9.262 4.302 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.748 -8.568 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.453 -8.904 3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.800 -8.491 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.253 -10.176 4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.147 -10.214 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.854 -11.486 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.828 -10.736 1.116 1.00 0.00 H new ATOM 554 N SER A 39 -4.784 -9.070 2.467 1.00 0.00 N ATOM 555 CA SER A 39 -5.903 -9.036 1.533 1.00 0.00 C ATOM 556 C SER A 39 -5.404 -9.003 0.090 1.00 0.00 C ATOM 557 O SER A 39 -4.406 -8.352 -0.217 1.00 0.00 O ATOM 558 CB SER A 39 -6.771 -7.808 1.802 1.00 0.00 C ATOM 559 OG SER A 39 -7.816 -7.751 0.840 1.00 0.00 O ATOM 0 H SER A 39 -4.716 -8.252 3.072 1.00 0.00 H new ATOM 0 HA SER A 39 -6.496 -9.939 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.189 -7.857 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.166 -6.903 1.752 1.00 0.00 H new ATOM 0 HG SER A 39 -8.376 -6.965 1.011 1.00 0.00 H new ATOM 565 N VAL A 40 -6.115 -9.702 -0.789 1.00 0.00 N ATOM 566 CA VAL A 40 -5.748 -9.740 -2.199 1.00 0.00 C ATOM 567 C VAL A 40 -6.670 -8.829 -3.003 1.00 0.00 C ATOM 568 O VAL A 40 -7.879 -9.053 -3.064 1.00 0.00 O ATOM 569 CB VAL A 40 -5.847 -11.169 -2.734 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.447 -11.192 -4.210 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.904 -12.072 -1.938 1.00 0.00 C ATOM 0 H VAL A 40 -6.944 -10.247 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.720 -9.393 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.872 -11.526 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.518 -12.211 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.116 -10.545 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.422 -10.836 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.971 -13.092 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.880 -11.713 -2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.187 -12.056 -0.886 1.00 0.00 H new ATOM 581 N PRO A 41 -6.128 -7.807 -3.609 1.00 0.00 N ATOM 582 CA PRO A 41 -6.924 -6.833 -4.415 1.00 0.00 C ATOM 583 C PRO A 41 -7.746 -7.522 -5.503 1.00 0.00 C ATOM 584 O PRO A 41 -7.262 -8.426 -6.182 1.00 0.00 O ATOM 585 CB PRO A 41 -5.855 -5.929 -5.037 1.00 0.00 C ATOM 586 CG PRO A 41 -4.685 -6.031 -4.117 1.00 0.00 C ATOM 587 CD PRO A 41 -4.698 -7.461 -3.591 1.00 0.00 C ATOM 0 HA PRO A 41 -7.651 -6.294 -3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.596 -6.258 -6.044 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.206 -4.900 -5.118 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.754 -5.815 -4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.765 -5.313 -3.301 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.113 -8.129 -4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.280 -7.525 -2.587 1.00 0.00 H new ATOM 595 N SER A 42 -8.996 -7.094 -5.647 1.00 0.00 N ATOM 596 CA SER A 42 -9.892 -7.681 -6.636 1.00 0.00 C ATOM 597 C SER A 42 -9.328 -7.535 -8.045 1.00 0.00 C ATOM 598 O SER A 42 -9.438 -8.451 -8.861 1.00 0.00 O ATOM 599 CB SER A 42 -11.260 -7.002 -6.563 1.00 0.00 C ATOM 600 OG SER A 42 -12.124 -7.583 -7.531 1.00 0.00 O ATOM 0 H SER A 42 -9.410 -6.345 -5.093 1.00 0.00 H new ATOM 0 HA SER A 42 -9.993 -8.743 -6.413 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.683 -7.117 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.158 -5.932 -6.745 1.00 0.00 H new ATOM 0 HG SER A 42 -13.003 -7.151 -7.486 1.00 0.00 H new ATOM 606 N ALA A 43 -8.732 -6.384 -8.334 1.00 0.00 N ATOM 607 CA ALA A 43 -8.172 -6.152 -9.659 1.00 0.00 C ATOM 608 C ALA A 43 -7.104 -7.196 -9.972 1.00 0.00 C ATOM 609 O ALA A 43 -7.052 -7.728 -11.078 1.00 0.00 O ATOM 610 CB ALA A 43 -7.558 -4.753 -9.731 1.00 0.00 C ATOM 0 H ALA A 43 -8.625 -5.608 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.973 -6.232 -10.394 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.142 -4.589 -10.725 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.328 -4.007 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.766 -4.664 -8.987 1.00 0.00 H new ATOM 616 N VAL A 44 -6.268 -7.505 -8.987 1.00 0.00 N ATOM 617 CA VAL A 44 -5.227 -8.512 -9.176 1.00 0.00 C ATOM 618 C VAL A 44 -5.858 -9.883 -9.394 1.00 0.00 C ATOM 619 O VAL A 44 -5.430 -10.654 -10.252 1.00 0.00 O ATOM 620 CB VAL A 44 -4.310 -8.554 -7.952 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.365 -9.752 -8.065 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.490 -7.265 -7.885 1.00 0.00 C ATOM 0 H VAL A 44 -6.288 -7.080 -8.060 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.638 -8.247 -10.054 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.913 -8.649 -7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.711 -9.783 -7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.948 -10.672 -8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.762 -9.656 -8.968 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.837 -7.294 -7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.887 -7.170 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.162 -6.410 -7.806 1.00 0.00 H new ATOM 632 N VAL A 45 -6.881 -10.174 -8.596 1.00 0.00 N ATOM 633 CA VAL A 45 -7.587 -11.450 -8.672 1.00 0.00 C ATOM 634 C VAL A 45 -8.257 -11.639 -10.030 1.00 0.00 C ATOM 635 O VAL A 45 -8.251 -12.741 -10.578 1.00 0.00 O ATOM 636 CB VAL A 45 -8.646 -11.522 -7.572 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.531 -12.750 -7.793 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.960 -11.629 -6.209 1.00 0.00 C ATOM 0 H VAL A 45 -7.242 -9.539 -7.884 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.854 -12.245 -8.538 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.260 -10.622 -7.601 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.286 -12.801 -7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.021 -12.675 -8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.917 -13.650 -7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.715 -11.680 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.346 -12.529 -6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.330 -10.754 -6.049 1.00 0.00 H new ATOM 648 N GLU A 46 -8.848 -10.575 -10.570 1.00 0.00 N ATOM 649 CA GLU A 46 -9.523 -10.681 -11.859 1.00 0.00 C ATOM 650 C GLU A 46 -8.539 -11.109 -12.942 1.00 0.00 C ATOM 651 O GLU A 46 -8.834 -11.999 -13.740 1.00 0.00 O ATOM 652 CB GLU A 46 -10.148 -9.336 -12.234 1.00 0.00 C ATOM 653 CG GLU A 46 -11.337 -9.049 -11.314 1.00 0.00 C ATOM 654 CD GLU A 46 -11.857 -7.637 -11.558 1.00 0.00 C ATOM 655 OE1 GLU A 46 -11.170 -6.882 -12.228 1.00 0.00 O ATOM 656 OE2 GLU A 46 -12.933 -7.332 -11.074 1.00 0.00 O ATOM 0 H GLU A 46 -8.873 -9.648 -10.145 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.307 -11.434 -11.778 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.407 -8.542 -12.146 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.475 -9.353 -13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.131 -9.774 -11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.036 -9.159 -10.272 1.00 0.00 H new ATOM 663 N GLU A 47 -7.368 -10.480 -12.966 1.00 0.00 N ATOM 664 CA GLU A 47 -6.359 -10.824 -13.959 1.00 0.00 C ATOM 665 C GLU A 47 -5.943 -12.279 -13.797 1.00 0.00 C ATOM 666 O GLU A 47 -5.770 -12.997 -14.781 1.00 0.00 O ATOM 667 CB GLU A 47 -5.140 -9.913 -13.811 1.00 0.00 C ATOM 668 CG GLU A 47 -5.458 -8.532 -14.391 1.00 0.00 C ATOM 669 CD GLU A 47 -6.331 -7.740 -13.425 1.00 0.00 C ATOM 670 OE1 GLU A 47 -7.462 -8.146 -13.213 1.00 0.00 O ATOM 671 OE2 GLU A 47 -5.857 -6.741 -12.911 1.00 0.00 O ATOM 0 H GLU A 47 -7.098 -9.740 -12.319 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.784 -10.685 -14.953 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.866 -9.823 -12.760 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.284 -10.347 -14.327 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.533 -7.989 -14.584 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.969 -8.641 -15.348 1.00 0.00 H new ATOM 678 N MET A 48 -5.806 -12.718 -12.551 1.00 0.00 N ATOM 679 CA MET A 48 -5.439 -14.100 -12.284 1.00 0.00 C ATOM 680 C MET A 48 -6.540 -15.022 -12.792 1.00 0.00 C ATOM 681 O MET A 48 -6.271 -16.077 -13.369 1.00 0.00 O ATOM 682 CB MET A 48 -5.239 -14.313 -10.783 1.00 0.00 C ATOM 683 CG MET A 48 -3.984 -13.567 -10.323 1.00 0.00 C ATOM 684 SD MET A 48 -2.533 -14.253 -11.160 1.00 0.00 S ATOM 685 CE MET A 48 -1.307 -13.132 -10.441 1.00 0.00 C ATOM 0 H MET A 48 -5.942 -12.143 -11.720 1.00 0.00 H new ATOM 0 HA MET A 48 -4.505 -14.327 -12.798 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.110 -13.953 -10.235 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.143 -15.377 -10.566 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.077 -12.504 -10.547 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.870 -13.657 -9.243 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.786 -12.602 -11.239 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.808 -12.412 -9.794 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.588 -13.706 -9.857 1.00 0.00 H new ATOM 695 N ASN A 49 -7.785 -14.601 -12.582 1.00 0.00 N ATOM 696 CA ASN A 49 -8.935 -15.377 -13.031 1.00 0.00 C ATOM 697 C ASN A 49 -8.930 -15.482 -14.552 1.00 0.00 C ATOM 698 O ASN A 49 -9.231 -16.532 -15.119 1.00 0.00 O ATOM 699 CB ASN A 49 -10.230 -14.697 -12.584 1.00 0.00 C ATOM 700 CG ASN A 49 -10.398 -14.817 -11.074 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.615 -15.609 -10.398 1.00 0.00 O flip ATOM 702 ND2 ASN A 49 -11.265 -14.164 -10.493 1.00 0.00 N flip ATOM 0 H ASN A 49 -8.021 -13.731 -12.106 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.875 -16.374 -12.595 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.215 -13.646 -12.872 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.081 -15.154 -13.089 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.878 -13.544 -11.023 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.371 -14.243 -9.482 1.00 0.00 H new ATOM 709 N ALA A 50 -8.581 -14.375 -15.202 1.00 0.00 N ATOM 710 CA ALA A 50 -8.535 -14.332 -16.657 1.00 0.00 C ATOM 711 C ALA A 50 -7.491 -15.305 -17.193 1.00 0.00 C ATOM 712 O ALA A 50 -7.723 -16.000 -18.182 1.00 0.00 O ATOM 713 CB ALA A 50 -8.201 -12.915 -17.127 1.00 0.00 C ATOM 0 H ALA A 50 -8.327 -13.500 -14.744 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.514 -14.622 -17.039 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.168 -12.891 -18.216 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.965 -12.224 -16.772 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.231 -12.619 -16.728 1.00 0.00 H new ATOM 719 N LYS A 51 -6.334 -15.342 -16.537 1.00 0.00 N ATOM 720 CA LYS A 51 -5.258 -16.224 -16.960 1.00 0.00 C ATOM 721 C LYS A 51 -5.685 -17.684 -16.868 1.00 0.00 C ATOM 722 O LYS A 51 -5.391 -18.482 -17.756 1.00 0.00 O ATOM 723 CB LYS A 51 -4.045 -15.986 -16.068 1.00 0.00 C ATOM 724 CG LYS A 51 -3.486 -14.595 -16.358 1.00 0.00 C ATOM 725 CD LYS A 51 -2.313 -14.310 -15.426 1.00 0.00 C ATOM 726 CE LYS A 51 -1.753 -12.924 -15.736 1.00 0.00 C ATOM 727 NZ LYS A 51 -2.806 -11.896 -15.499 1.00 0.00 N ATOM 0 H LYS A 51 -6.121 -14.775 -15.717 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.009 -16.007 -17.999 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.327 -16.068 -15.018 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.285 -16.745 -16.254 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.162 -14.532 -17.397 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.264 -13.844 -16.220 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.638 -14.360 -14.387 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.538 -15.066 -15.555 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.885 -12.722 -15.108 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.414 -12.881 -16.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.358 -10.993 -15.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.369 -11.770 -16.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.427 -12.207 -14.725 1.00 0.00 H new ATOM 741 N ALA A 52 -6.391 -18.025 -15.794 1.00 0.00 N ATOM 742 CA ALA A 52 -6.863 -19.391 -15.593 1.00 0.00 C ATOM 743 C ALA A 52 -7.807 -19.807 -16.712 1.00 0.00 C ATOM 744 O ALA A 52 -7.798 -20.956 -17.156 1.00 0.00 O ATOM 745 CB ALA A 52 -7.581 -19.503 -14.248 1.00 0.00 C ATOM 0 H ALA A 52 -6.648 -17.376 -15.051 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.999 -20.056 -15.601 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.930 -20.526 -14.106 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.893 -19.240 -13.445 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.433 -18.823 -14.233 1.00 0.00 H new ATOM 751 N ALA A 53 -8.621 -18.862 -17.166 1.00 0.00 N ATOM 752 CA ALA A 53 -9.573 -19.126 -18.238 1.00 0.00 C ATOM 753 C ALA A 53 -8.847 -19.533 -19.517 1.00 0.00 C ATOM 754 O ALA A 53 -9.318 -20.391 -20.264 1.00 0.00 O ATOM 755 CB ALA A 53 -10.417 -17.879 -18.506 1.00 0.00 C ATOM 0 H ALA A 53 -8.641 -17.907 -16.809 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.221 -19.945 -17.926 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.126 -18.085 -19.308 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.962 -17.607 -17.602 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.766 -17.055 -18.799 1.00 0.00 H new ATOM 761 N GLN A 54 -7.698 -18.912 -19.763 1.00 0.00 N ATOM 762 CA GLN A 54 -6.917 -19.216 -20.955 1.00 0.00 C ATOM 763 C GLN A 54 -6.037 -20.444 -20.729 1.00 0.00 C ATOM 764 O GLN A 54 -5.524 -21.032 -21.681 1.00 0.00 O ATOM 765 CB GLN A 54 -6.038 -18.017 -21.318 1.00 0.00 C ATOM 766 CG GLN A 54 -6.928 -16.833 -21.701 1.00 0.00 C ATOM 767 CD GLN A 54 -6.064 -15.636 -22.085 1.00 0.00 C ATOM 768 OE1 GLN A 54 -5.170 -15.757 -22.921 1.00 0.00 O ATOM 769 NE2 GLN A 54 -6.280 -14.482 -21.518 1.00 0.00 N ATOM 0 H GLN A 54 -7.290 -18.200 -19.157 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.606 -19.427 -21.773 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.401 -17.750 -20.474 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.378 -18.273 -22.147 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.575 -17.108 -22.534 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.578 -16.570 -20.866 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.022 -14.385 -20.825 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.707 -13.676 -21.767 1.00 0.00 H new ATOM 778 N LEU A 55 -5.862 -20.823 -19.467 1.00 0.00 N ATOM 779 CA LEU A 55 -5.033 -21.981 -19.140 1.00 0.00 C ATOM 780 C LEU A 55 -5.712 -23.283 -19.551 1.00 0.00 C ATOM 781 O LEU A 55 -6.898 -23.493 -19.297 1.00 0.00 O ATOM 782 CB LEU A 55 -4.736 -22.011 -17.639 1.00 0.00 C ATOM 783 CG LEU A 55 -3.730 -20.913 -17.293 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.630 -20.771 -15.773 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.357 -21.288 -17.857 1.00 0.00 C ATOM 0 H LEU A 55 -6.277 -20.353 -18.662 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.100 -21.889 -19.696 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.656 -21.866 -17.073 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.338 -22.985 -17.356 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.060 -19.969 -17.726 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.913 -19.988 -15.527 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.607 -20.509 -15.367 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.299 -21.715 -15.340 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.637 -20.507 -17.612 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.030 -22.232 -17.421 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.425 -21.392 -18.940 1.00 0.00 H new ATOM 797 N LYS A 56 -4.935 -24.151 -20.188 1.00 0.00 N ATOM 798 CA LYS A 56 -5.440 -25.443 -20.639 1.00 0.00 C ATOM 799 C LYS A 56 -5.133 -26.522 -19.607 1.00 0.00 C ATOM 800 O LYS A 56 -4.394 -26.286 -18.652 1.00 0.00 O ATOM 801 CB LYS A 56 -4.801 -25.815 -21.977 1.00 0.00 C ATOM 802 CG LYS A 56 -5.084 -24.716 -23.002 1.00 0.00 C ATOM 803 CD LYS A 56 -6.594 -24.594 -23.217 1.00 0.00 C ATOM 804 CE LYS A 56 -6.870 -23.600 -24.348 1.00 0.00 C ATOM 805 NZ LYS A 56 -6.383 -22.249 -23.954 1.00 0.00 N ATOM 0 H LYS A 56 -3.952 -23.984 -20.404 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.520 -25.370 -20.763 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.726 -25.944 -21.855 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.199 -26.767 -22.330 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.678 -23.766 -22.654 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.589 -24.948 -23.945 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.017 -25.568 -23.463 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.077 -24.260 -22.299 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.372 -23.925 -25.261 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.938 -23.565 -24.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.122 -21.543 -24.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.157 -22.244 -22.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.530 -22.015 -24.500 1.00 0.00 H new ATOM 819 N ASP A 57 -5.694 -27.709 -19.810 1.00 0.00 N ATOM 820 CA ASP A 57 -5.462 -28.818 -18.893 1.00 0.00 C ATOM 821 C ASP A 57 -3.970 -29.127 -18.809 1.00 0.00 C ATOM 822 O ASP A 57 -3.253 -29.035 -19.804 1.00 0.00 O ATOM 823 CB ASP A 57 -6.220 -30.058 -19.374 1.00 0.00 C ATOM 824 CG ASP A 57 -6.086 -31.182 -18.352 1.00 0.00 C ATOM 825 OD1 ASP A 57 -5.300 -31.026 -17.430 1.00 0.00 O ATOM 826 OD2 ASP A 57 -6.770 -32.179 -18.503 1.00 0.00 O ATOM 0 H ASP A 57 -6.308 -27.927 -20.595 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.822 -28.538 -17.903 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.272 -29.816 -19.524 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.827 -30.383 -20.337 1.00 0.00 H new ATOM 831 N GLY A 58 -3.508 -29.493 -17.617 1.00 0.00 N ATOM 832 CA GLY A 58 -2.098 -29.811 -17.425 1.00 0.00 C ATOM 833 C GLY A 58 -1.270 -28.547 -17.220 1.00 0.00 C ATOM 834 O GLY A 58 -0.041 -28.590 -17.261 1.00 0.00 O ATOM 0 H GLY A 58 -4.083 -29.576 -16.778 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.985 -30.467 -16.562 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.724 -30.357 -18.291 1.00 0.00 H new ATOM 838 N GLU A 59 -1.947 -27.426 -16.995 1.00 0.00 N ATOM 839 CA GLU A 59 -1.261 -26.155 -16.779 1.00 0.00 C ATOM 840 C GLU A 59 -1.774 -25.470 -15.518 1.00 0.00 C ATOM 841 O GLU A 59 -2.932 -25.637 -15.137 1.00 0.00 O ATOM 842 CB GLU A 59 -1.458 -25.235 -17.984 1.00 0.00 C ATOM 843 CG GLU A 59 -0.672 -25.787 -19.172 1.00 0.00 C ATOM 844 CD GLU A 59 -0.978 -24.970 -20.424 1.00 0.00 C ATOM 845 OE1 GLU A 59 -1.912 -24.187 -20.382 1.00 0.00 O ATOM 846 OE2 GLU A 59 -0.273 -25.139 -21.405 1.00 0.00 O ATOM 0 H GLU A 59 -2.965 -27.370 -16.957 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.198 -26.361 -16.655 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.517 -25.165 -18.234 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.120 -24.227 -17.746 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.396 -25.755 -18.959 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.933 -26.832 -19.337 1.00 0.00 H new ATOM 853 N TRP A 60 -0.904 -24.698 -14.873 1.00 0.00 N ATOM 854 CA TRP A 60 -1.283 -23.994 -13.656 1.00 0.00 C ATOM 855 C TRP A 60 -0.674 -22.596 -13.638 1.00 0.00 C ATOM 856 O TRP A 60 0.365 -22.350 -14.250 1.00 0.00 O ATOM 857 CB TRP A 60 -0.814 -24.773 -12.427 1.00 0.00 C ATOM 858 CG TRP A 60 -1.229 -26.204 -12.558 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.379 -27.256 -12.582 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.570 -26.758 -12.704 1.00 0.00 C ATOM 861 NE1 TRP A 60 -1.112 -28.420 -12.720 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.466 -28.166 -12.801 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.853 -26.182 -12.756 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.595 -28.974 -12.947 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.989 -26.993 -12.903 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.860 -28.387 -12.998 1.00 0.00 C ATOM 0 H TRP A 60 0.060 -24.546 -15.171 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.369 -23.908 -13.633 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.270 -24.704 -12.331 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.242 -24.340 -11.523 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.697 -27.196 -12.506 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.702 -29.353 -12.757 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.964 -25.110 -12.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.490 -30.046 -13.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.969 -26.541 -12.943 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.739 -29.005 -13.110 1.00 0.00 H new ATOM 877 N LEU A 61 -1.327 -21.688 -12.926 1.00 0.00 N ATOM 878 CA LEU A 61 -0.848 -20.315 -12.822 1.00 0.00 C ATOM 879 C LEU A 61 -0.191 -20.104 -11.463 1.00 0.00 C ATOM 880 O LEU A 61 -0.657 -20.630 -10.453 1.00 0.00 O ATOM 881 CB LEU A 61 -2.010 -19.341 -13.003 1.00 0.00 C ATOM 882 CG LEU A 61 -1.484 -17.910 -12.953 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.472 -17.711 -14.083 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.649 -16.933 -13.132 1.00 0.00 C ATOM 0 H LEU A 61 -2.188 -21.876 -12.413 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.113 -20.130 -13.605 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.508 -19.524 -13.955 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.753 -19.495 -12.220 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.003 -17.726 -11.992 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.091 -16.690 -14.055 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.355 -18.411 -13.959 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.958 -17.890 -15.042 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.275 -15.910 -13.096 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.128 -17.111 -14.095 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.375 -17.082 -12.332 1.00 0.00 H new ATOM 896 N ASN A 62 0.894 -19.336 -11.440 1.00 0.00 N ATOM 897 CA ASN A 62 1.602 -19.073 -10.195 1.00 0.00 C ATOM 898 C ASN A 62 1.318 -17.664 -9.685 1.00 0.00 C ATOM 899 O ASN A 62 1.444 -16.687 -10.424 1.00 0.00 O ATOM 900 CB ASN A 62 3.105 -19.245 -10.411 1.00 0.00 C ATOM 901 CG ASN A 62 3.494 -20.712 -10.276 1.00 0.00 C ATOM 902 OD1 ASN A 62 3.602 -21.422 -11.275 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.716 -21.208 -9.089 1.00 0.00 N ATOM 0 H ASN A 62 1.298 -18.889 -12.263 1.00 0.00 H new ATOM 0 HA ASN A 62 1.251 -19.785 -9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.382 -18.878 -11.399 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.655 -18.648 -9.684 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.980 -22.188 -8.987 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.625 -20.616 -8.264 1.00 0.00 H new ATOM 910 N VAL A 63 0.940 -17.570 -8.416 1.00 0.00 N ATOM 911 CA VAL A 63 0.647 -16.278 -7.804 1.00 0.00 C ATOM 912 C VAL A 63 1.568 -16.037 -6.611 1.00 0.00 C ATOM 913 O VAL A 63 1.674 -16.879 -5.722 1.00 0.00 O ATOM 914 CB VAL A 63 -0.811 -16.235 -7.344 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.102 -14.887 -6.682 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.732 -16.415 -8.554 1.00 0.00 C ATOM 0 H VAL A 63 0.829 -18.369 -7.792 1.00 0.00 H new ATOM 0 HA VAL A 63 0.814 -15.496 -8.545 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.987 -17.037 -6.627 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.141 -14.859 -6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.447 -14.756 -5.821 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.925 -14.084 -7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.772 -16.385 -8.228 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.553 -15.613 -9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.528 -17.376 -9.027 1.00 0.00 H new ATOM 926 N SER A 64 2.236 -14.887 -6.601 1.00 0.00 N ATOM 927 CA SER A 64 3.149 -14.554 -5.514 1.00 0.00 C ATOM 928 C SER A 64 3.203 -13.043 -5.308 1.00 0.00 C ATOM 929 O SER A 64 2.569 -12.285 -6.043 1.00 0.00 O ATOM 930 CB SER A 64 4.551 -15.078 -5.831 1.00 0.00 C ATOM 931 OG SER A 64 5.397 -14.862 -4.709 1.00 0.00 O ATOM 0 H SER A 64 2.163 -14.175 -7.328 1.00 0.00 H new ATOM 0 HA SER A 64 2.785 -15.023 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.509 -16.141 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.953 -14.569 -6.707 1.00 0.00 H new ATOM 0 HG SER A 64 6.296 -15.198 -4.908 1.00 0.00 H new ATOM 937 N HIS A 65 3.959 -12.610 -4.304 1.00 0.00 N ATOM 938 CA HIS A 65 4.078 -11.184 -4.014 1.00 0.00 C ATOM 939 C HIS A 65 5.476 -10.865 -3.497 1.00 0.00 C ATOM 940 O HIS A 65 6.198 -11.755 -3.048 1.00 0.00 O ATOM 941 CB HIS A 65 3.051 -10.781 -2.956 1.00 0.00 C ATOM 942 CG HIS A 65 3.456 -11.357 -1.626 1.00 0.00 C ATOM 943 ND1 HIS A 65 3.256 -12.691 -1.304 1.00 0.00 N ATOM 944 CD2 HIS A 65 4.055 -10.792 -0.528 1.00 0.00 C ATOM 945 CE1 HIS A 65 3.731 -12.882 -0.059 1.00 0.00 C ATOM 946 NE2 HIS A 65 4.228 -11.756 0.460 1.00 0.00 N ATOM 0 H HIS A 65 4.493 -13.218 -3.683 1.00 0.00 H new ATOM 0 HA HIS A 65 3.897 -10.628 -4.934 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.986 -9.695 -2.890 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.062 -11.143 -3.236 1.00 0.00 H new ATOM 0 HD1 HIS A 65 2.827 -13.398 -1.901 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.348 -9.756 -0.444 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.712 -13.830 0.457 1.00 0.00 H new ATOM 954 N GLU A 66 5.852 -9.591 -3.554 1.00 0.00 N ATOM 955 CA GLU A 66 7.163 -9.168 -3.082 1.00 0.00 C ATOM 956 C GLU A 66 7.012 -8.252 -1.872 1.00 0.00 C ATOM 957 O GLU A 66 6.194 -7.333 -1.879 1.00 0.00 O ATOM 958 CB GLU A 66 7.904 -8.424 -4.195 1.00 0.00 C ATOM 959 CG GLU A 66 9.271 -7.964 -3.680 1.00 0.00 C ATOM 960 CD GLU A 66 10.122 -9.174 -3.312 1.00 0.00 C ATOM 961 OE1 GLU A 66 11.072 -9.000 -2.568 1.00 0.00 O ATOM 962 OE2 GLU A 66 9.813 -10.256 -3.782 1.00 0.00 O ATOM 0 H GLU A 66 5.270 -8.838 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 66 7.734 -10.051 -2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.030 -9.074 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.320 -7.565 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.776 -7.372 -4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.143 -7.320 -2.810 1.00 0.00 H new