USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 888 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 133 SER OG : rot 106:sc= 0.494 USER MOD Set 1.2: A 135 SER OG : rot 161:sc= 0.465 USER MOD Set 2.1: A 101 ASN : amide:sc= -0.279 K(o=-0.28,f=-3.5!) USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 49 GLN : amide:sc= -0.145 K(o=-0.15,f=-0.73) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 40 SER OG : rot 120:sc= -0.291 USER MOD Set 4.2: A 42 GLN : amide:sc= -0.203 X(o=-0.49,f=-0.74) USER MOD Set 5.1: A 29 SER OG : rot -179:sc= 1.19 USER MOD Set 5.2: A 143 SER OG : rot 135:sc= 1.2 USER MOD Set 6.1: A 23 ASN : amide:sc= 0.248 K(o=1.5,f=-3.4) USER MOD Set 6.2: A 30 THR OG1 : rot 117:sc= 1.21 USER MOD Single : A 14 SER OG : rot 180:sc=0.000595 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.7) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0524 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0028 F(o=-1,f=-0.0028) USER MOD Single : A 45 SER OG : rot -5:sc= 1.32 USER MOD Single : A 46 SER OG : rot -91:sc= 0.498 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.617 F(o=-4.1!,f=-0.62) USER MOD Single : A 54 SER OG : rot -170:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.42) USER MOD Single : A 65 ASN : amide:sc= -9.02! C(o=-9!,f=-14!) USER MOD Single : A 72 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.91) USER MOD Single : A 75 SER OG : rot -31:sc= 0.401 USER MOD Single : A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.991 K(o=-0.99,f=-8.2!) USER MOD Single : A 91 SER OG : rot 96:sc= -1.04! USER MOD Single : A 92 SER OG : rot 106:sc= 1.19 USER MOD Single : A 96 ASN :FLIP amide:sc= -0.655 F(o=-1.3!,f=-0.66) USER MOD Single : A 104 ASN : amide:sc= -0.907! K(o=-0.91!,f=-2.2) USER MOD Single : A 107 THR OG1 : rot 61:sc= 1.03 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.1) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot -88:sc= 0.41 USER MOD Single : A 125 GLN : amide:sc= -0.425 K(o=-0.42,f=-1.5) USER MOD Single : A 130 ASN : amide:sc= -0.231 K(o=-0.23,f=-5.7!) USER MOD Single : A 137 GLN :FLIP amide:sc= -0.0245 F(o=-0.85!,f=-0.025) USER MOD Single : A 138 SER OG : rot 155:sc= 1.31 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 78:sc= 0.342 USER MOD Single : A 144 SER OG : rot -95:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -3.026 -6.523 -14.208 1.00 0.00 N ATOM 124 CA GLY A 12 -2.352 -7.719 -14.688 1.00 0.00 C ATOM 125 C GLY A 12 -0.843 -7.567 -14.780 1.00 0.00 C ATOM 126 O GLY A 12 -0.102 -8.283 -14.101 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.586 -8.550 -14.023 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.744 -7.978 -15.672 1.00 0.00 H new ATOM 130 N ALA A 13 -0.385 -6.634 -15.611 1.00 0.00 N ATOM 131 CA ALA A 13 1.050 -6.406 -15.805 1.00 0.00 C ATOM 132 C ALA A 13 1.736 -6.050 -14.493 1.00 0.00 C ATOM 133 O ALA A 13 2.831 -6.537 -14.197 1.00 0.00 O ATOM 134 CB ALA A 13 1.284 -5.308 -16.839 1.00 0.00 C ATOM 0 H ALA A 13 -0.985 -6.021 -16.163 1.00 0.00 H new ATOM 0 HA ALA A 13 1.487 -7.334 -16.173 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.355 -5.153 -16.969 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.842 -5.604 -17.790 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.822 -4.382 -16.497 1.00 0.00 H new ATOM 140 N SER A 14 1.081 -5.217 -13.699 1.00 0.00 N ATOM 141 CA SER A 14 1.628 -4.795 -12.428 1.00 0.00 C ATOM 142 C SER A 14 1.797 -5.978 -11.465 1.00 0.00 C ATOM 143 O SER A 14 2.746 -6.018 -10.695 1.00 0.00 O ATOM 144 CB SER A 14 0.751 -3.701 -11.805 1.00 0.00 C ATOM 145 OG SER A 14 -0.620 -4.072 -11.810 1.00 0.00 O ATOM 0 H SER A 14 0.167 -4.821 -13.918 1.00 0.00 H new ATOM 0 HA SER A 14 2.620 -4.382 -12.611 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.075 -3.512 -10.782 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.880 -2.770 -12.358 1.00 0.00 H new ATOM 0 HG SER A 14 -1.154 -3.357 -11.406 1.00 0.00 H new ATOM 151 N ALA A 15 0.899 -6.963 -11.559 1.00 0.00 N ATOM 152 CA ALA A 15 0.923 -8.127 -10.664 1.00 0.00 C ATOM 153 C ALA A 15 2.185 -8.971 -10.853 1.00 0.00 C ATOM 154 O ALA A 15 2.548 -9.767 -9.981 1.00 0.00 O ATOM 155 CB ALA A 15 -0.320 -8.980 -10.863 1.00 0.00 C ATOM 0 H ALA A 15 0.145 -6.979 -12.246 1.00 0.00 H new ATOM 0 HA ALA A 15 0.934 -7.748 -9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.284 -9.838 -10.191 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.208 -8.386 -10.646 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.361 -9.329 -11.895 1.00 0.00 H new ATOM 161 N GLY A 16 2.843 -8.803 -11.983 1.00 0.00 N ATOM 162 CA GLY A 16 4.057 -9.541 -12.237 1.00 0.00 C ATOM 163 C GLY A 16 5.288 -8.825 -11.712 1.00 0.00 C ATOM 164 O GLY A 16 6.196 -9.448 -11.176 1.00 0.00 O ATOM 0 H GLY A 16 2.559 -8.169 -12.730 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.986 -10.524 -11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.163 -9.703 -13.310 1.00 0.00 H new ATOM 168 N LEU A 17 5.307 -7.511 -11.856 1.00 0.00 N ATOM 169 CA LEU A 17 6.463 -6.713 -11.458 1.00 0.00 C ATOM 170 C LEU A 17 6.459 -6.340 -9.963 1.00 0.00 C ATOM 171 O LEU A 17 7.510 -6.057 -9.396 1.00 0.00 O ATOM 172 CB LEU A 17 6.586 -5.459 -12.357 1.00 0.00 C ATOM 173 CG LEU A 17 5.357 -4.535 -12.437 1.00 0.00 C ATOM 174 CD1 LEU A 17 5.282 -3.597 -11.238 1.00 0.00 C ATOM 175 CD2 LEU A 17 5.365 -3.745 -13.736 1.00 0.00 C ATOM 0 H LEU A 17 4.535 -6.970 -12.246 1.00 0.00 H new ATOM 0 HA LEU A 17 7.345 -7.337 -11.602 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.431 -4.869 -12.002 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.829 -5.789 -13.367 1.00 0.00 H new ATOM 0 HG LEU A 17 4.468 -5.165 -12.418 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.402 -2.960 -11.329 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.213 -4.183 -10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.177 -2.976 -11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.489 -3.098 -13.774 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.268 -3.136 -13.786 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.344 -4.434 -14.581 1.00 0.00 H new ATOM 187 N ILE A 18 5.284 -6.359 -9.334 1.00 0.00 N ATOM 188 CA ILE A 18 5.136 -5.945 -7.920 1.00 0.00 C ATOM 189 C ILE A 18 6.190 -6.550 -6.978 1.00 0.00 C ATOM 190 O ILE A 18 6.813 -5.832 -6.209 1.00 0.00 O ATOM 191 CB ILE A 18 3.734 -6.257 -7.362 1.00 0.00 C ATOM 192 CG1 ILE A 18 3.304 -7.675 -7.745 1.00 0.00 C ATOM 193 CG2 ILE A 18 2.724 -5.222 -7.830 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.008 -8.122 -7.115 1.00 0.00 C ATOM 0 H ILE A 18 4.413 -6.656 -9.774 1.00 0.00 H new ATOM 0 HA ILE A 18 5.289 -4.866 -7.944 1.00 0.00 H new ATOM 0 HB ILE A 18 3.776 -6.206 -6.274 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.206 -7.732 -8.829 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.093 -8.371 -7.459 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.742 -5.463 -7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.028 -4.234 -7.483 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.677 -5.226 -8.919 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.777 -9.137 -7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.105 -8.101 -6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.205 -7.452 -7.421 1.00 0.00 H new ATOM 206 N SER A 19 6.384 -7.846 -7.033 1.00 0.00 N ATOM 207 CA SER A 19 7.329 -8.490 -6.143 1.00 0.00 C ATOM 208 C SER A 19 8.762 -8.438 -6.686 1.00 0.00 C ATOM 209 O SER A 19 9.720 -8.588 -5.937 1.00 0.00 O ATOM 210 CB SER A 19 6.904 -9.934 -5.881 1.00 0.00 C ATOM 211 OG SER A 19 5.580 -9.980 -5.358 1.00 0.00 O ATOM 0 H SER A 19 5.906 -8.474 -7.679 1.00 0.00 H new ATOM 0 HA SER A 19 7.324 -7.939 -5.202 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.955 -10.507 -6.807 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.595 -10.400 -5.178 1.00 0.00 H new ATOM 0 HG SER A 19 5.324 -10.912 -5.198 1.00 0.00 H new ATOM 217 N ARG A 20 8.895 -8.215 -7.985 1.00 0.00 N ATOM 218 CA ARG A 20 10.204 -8.236 -8.636 1.00 0.00 C ATOM 219 C ARG A 20 10.942 -6.891 -8.585 1.00 0.00 C ATOM 220 O ARG A 20 12.162 -6.866 -8.561 1.00 0.00 O ATOM 221 CB ARG A 20 10.066 -8.661 -10.097 1.00 0.00 C ATOM 222 CG ARG A 20 9.379 -9.995 -10.309 1.00 0.00 C ATOM 223 CD ARG A 20 9.301 -10.327 -11.787 1.00 0.00 C ATOM 224 NE ARG A 20 8.463 -11.492 -12.052 1.00 0.00 N ATOM 225 CZ ARG A 20 8.017 -11.829 -13.265 1.00 0.00 C ATOM 226 NH1 ARG A 20 8.375 -11.117 -14.329 1.00 0.00 N ATOM 227 NH2 ARG A 20 7.220 -12.877 -13.415 1.00 0.00 N ATOM 0 H ARG A 20 8.115 -8.017 -8.612 1.00 0.00 H new ATOM 0 HA ARG A 20 10.798 -8.957 -8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.509 -7.892 -10.633 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.059 -8.705 -10.543 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.924 -10.779 -9.783 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.376 -9.965 -9.884 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.906 -9.468 -12.329 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.305 -10.511 -12.169 1.00 0.00 H new ATOM 0 HE ARG A 20 8.202 -12.084 -11.264 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.991 -10.312 -14.220 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.033 -11.376 -15.254 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.945 -13.429 -12.603 1.00 0.00 H new ATOM 0 HH22 ARG A 20 6.881 -13.131 -14.343 1.00 0.00 H new ATOM 241 N VAL A 21 10.209 -5.782 -8.579 1.00 0.00 N ATOM 242 CA VAL A 21 10.849 -4.465 -8.710 1.00 0.00 C ATOM 243 C VAL A 21 11.458 -3.901 -7.399 1.00 0.00 C ATOM 244 O VAL A 21 12.527 -4.320 -6.969 1.00 0.00 O ATOM 245 CB VAL A 21 9.907 -3.407 -9.355 1.00 0.00 C ATOM 246 CG1 VAL A 21 10.663 -2.128 -9.660 1.00 0.00 C ATOM 247 CG2 VAL A 21 9.270 -3.941 -10.624 1.00 0.00 C ATOM 0 H VAL A 21 9.193 -5.760 -8.487 1.00 0.00 H new ATOM 0 HA VAL A 21 11.686 -4.655 -9.381 1.00 0.00 H new ATOM 0 HB VAL A 21 9.118 -3.189 -8.636 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.985 -1.403 -10.110 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.072 -1.718 -8.736 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.477 -2.343 -10.353 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.618 -3.180 -11.052 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.049 -4.197 -11.342 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.685 -4.831 -10.391 1.00 0.00 H new ATOM 257 N ALA A 22 10.749 -2.964 -6.767 1.00 0.00 N ATOM 258 CA ALA A 22 11.287 -2.210 -5.634 1.00 0.00 C ATOM 259 C ALA A 22 11.449 -3.046 -4.379 1.00 0.00 C ATOM 260 O ALA A 22 12.513 -3.052 -3.760 1.00 0.00 O ATOM 261 CB ALA A 22 10.415 -0.995 -5.351 1.00 0.00 C ATOM 0 H ALA A 22 9.795 -2.708 -7.023 1.00 0.00 H new ATOM 0 HA ALA A 22 12.288 -1.888 -5.921 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.825 -0.442 -4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.392 -0.351 -6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.402 -1.321 -5.114 1.00 0.00 H new ATOM 267 N ASN A 23 10.403 -3.739 -4.001 1.00 0.00 N ATOM 268 CA ASN A 23 10.422 -4.520 -2.780 1.00 0.00 C ATOM 269 C ASN A 23 11.390 -5.686 -2.835 1.00 0.00 C ATOM 270 O ASN A 23 11.826 -6.171 -1.798 1.00 0.00 O ATOM 271 CB ASN A 23 9.027 -4.963 -2.368 1.00 0.00 C ATOM 272 CG ASN A 23 8.363 -3.955 -1.442 1.00 0.00 C ATOM 273 OD1 ASN A 23 7.639 -4.326 -0.528 1.00 0.00 O ATOM 274 ND2 ASN A 23 8.605 -2.670 -1.680 1.00 0.00 N ATOM 0 H ASN A 23 9.525 -3.781 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 23 10.796 -3.853 -2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.412 -5.099 -3.257 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.086 -5.931 -1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.181 -1.954 -1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.215 -2.400 -2.452 1.00 0.00 H new ATOM 281 N ALA A 24 11.724 -6.143 -4.034 1.00 0.00 N ATOM 282 CA ALA A 24 12.697 -7.218 -4.178 1.00 0.00 C ATOM 283 C ALA A 24 14.052 -6.771 -3.646 1.00 0.00 C ATOM 284 O ALA A 24 14.786 -7.555 -3.051 1.00 0.00 O ATOM 285 CB ALA A 24 12.816 -7.647 -5.626 1.00 0.00 C ATOM 0 H ALA A 24 11.341 -5.792 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 24 12.353 -8.074 -3.597 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.548 -8.450 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 24 11.848 -8.000 -5.982 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.138 -6.800 -6.231 1.00 0.00 H new ATOM 291 N LEU A 25 14.365 -5.493 -3.853 1.00 0.00 N ATOM 292 CA LEU A 25 15.615 -4.927 -3.374 1.00 0.00 C ATOM 293 C LEU A 25 15.483 -4.585 -1.887 1.00 0.00 C ATOM 294 O LEU A 25 16.444 -4.655 -1.136 1.00 0.00 O ATOM 295 CB LEU A 25 15.986 -3.674 -4.197 1.00 0.00 C ATOM 296 CG LEU A 25 17.495 -3.399 -4.395 1.00 0.00 C ATOM 297 CD1 LEU A 25 17.701 -2.299 -5.424 1.00 0.00 C ATOM 298 CD2 LEU A 25 18.176 -3.021 -3.083 1.00 0.00 C ATOM 0 H LEU A 25 13.767 -4.833 -4.350 1.00 0.00 H new ATOM 0 HA LEU A 25 16.414 -5.658 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.524 -3.763 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.542 -2.804 -3.713 1.00 0.00 H new ATOM 0 HG LEU A 25 17.952 -4.320 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.768 -2.116 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.268 -2.606 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.215 -1.385 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.235 -2.835 -3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.713 -2.120 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.067 -3.837 -2.368 1.00 0.00 H new ATOM 310 N ALA A 26 14.273 -4.218 -1.476 1.00 0.00 N ATOM 311 CA ALA A 26 14.006 -3.905 -0.077 1.00 0.00 C ATOM 312 C ALA A 26 14.142 -5.160 0.779 1.00 0.00 C ATOM 313 O ALA A 26 14.719 -5.124 1.861 1.00 0.00 O ATOM 314 CB ALA A 26 12.619 -3.297 0.081 1.00 0.00 C ATOM 0 H ALA A 26 13.464 -4.130 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 26 14.739 -3.172 0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.439 -3.070 1.132 1.00 0.00 H new ATOM 0 HB2 ALA A 26 12.555 -2.380 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.869 -4.005 -0.271 1.00 0.00 H new ATOM 320 N ASN A 27 13.580 -6.266 0.274 1.00 0.00 N ATOM 321 CA ASN A 27 13.662 -7.588 0.908 1.00 0.00 C ATOM 322 C ASN A 27 13.008 -7.630 2.312 1.00 0.00 C ATOM 323 O ASN A 27 13.050 -8.653 2.998 1.00 0.00 O ATOM 324 CB ASN A 27 15.128 -8.039 0.947 1.00 0.00 C ATOM 325 CG ASN A 27 15.300 -9.511 1.261 1.00 0.00 C ATOM 326 OD1 ASN A 27 15.545 -9.898 2.401 1.00 0.00 O ATOM 327 ND2 ASN A 27 15.155 -10.343 0.248 1.00 0.00 N ATOM 0 H ASN A 27 13.049 -6.268 -0.597 1.00 0.00 H new ATOM 0 HA ASN A 27 13.085 -8.288 0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.591 -7.825 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.661 -7.452 1.695 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.246 -11.348 0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.952 -9.981 -0.684 1.00 0.00 H new ATOM 334 N THR A 28 12.364 -6.536 2.701 1.00 0.00 N ATOM 335 CA THR A 28 11.725 -6.430 4.007 1.00 0.00 C ATOM 336 C THR A 28 10.493 -7.370 4.110 1.00 0.00 C ATOM 337 O THR A 28 10.142 -8.065 3.156 1.00 0.00 O ATOM 338 CB THR A 28 11.305 -4.963 4.274 1.00 0.00 C ATOM 339 OG1 THR A 28 12.208 -4.084 3.588 1.00 0.00 O ATOM 340 CG2 THR A 28 11.345 -4.636 5.770 1.00 0.00 C ATOM 0 H THR A 28 12.270 -5.701 2.123 1.00 0.00 H new ATOM 0 HA THR A 28 12.446 -6.740 4.764 1.00 0.00 H new ATOM 0 HB THR A 28 10.285 -4.830 3.915 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.947 -3.154 3.752 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.045 -3.599 5.924 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.661 -5.295 6.305 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.357 -4.781 6.147 1.00 0.00 H new ATOM 348 N SER A 29 9.858 -7.390 5.266 1.00 0.00 N ATOM 349 CA SER A 29 8.711 -8.249 5.515 1.00 0.00 C ATOM 350 C SER A 29 7.462 -7.818 4.729 1.00 0.00 C ATOM 351 O SER A 29 6.523 -8.596 4.597 1.00 0.00 O ATOM 352 CB SER A 29 8.402 -8.256 6.999 1.00 0.00 C ATOM 353 OG SER A 29 9.572 -8.483 7.755 1.00 0.00 O ATOM 0 H SER A 29 10.122 -6.810 6.063 1.00 0.00 H new ATOM 0 HA SER A 29 8.974 -9.250 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.957 -7.303 7.287 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.667 -9.030 7.218 1.00 0.00 H new ATOM 0 HG SER A 29 9.348 -8.495 8.709 1.00 0.00 H new ATOM 359 N THR A 30 7.472 -6.589 4.214 1.00 0.00 N ATOM 360 CA THR A 30 6.326 -6.012 3.492 1.00 0.00 C ATOM 361 C THR A 30 5.808 -6.926 2.370 1.00 0.00 C ATOM 362 O THR A 30 4.617 -7.202 2.281 1.00 0.00 O ATOM 363 CB THR A 30 6.703 -4.645 2.897 1.00 0.00 C ATOM 364 OG1 THR A 30 7.945 -4.757 2.185 1.00 0.00 O ATOM 365 CG2 THR A 30 6.848 -3.603 3.995 1.00 0.00 C ATOM 0 H THR A 30 8.273 -5.961 4.283 1.00 0.00 H new ATOM 0 HA THR A 30 5.525 -5.898 4.223 1.00 0.00 H new ATOM 0 HB THR A 30 5.910 -4.333 2.217 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.796 -4.568 1.235 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.115 -2.643 3.553 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.904 -3.506 4.531 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.629 -3.912 4.689 1.00 0.00 H new ATOM 373 N LEU A 31 6.707 -7.383 1.528 1.00 0.00 N ATOM 374 CA LEU A 31 6.347 -8.251 0.424 1.00 0.00 C ATOM 375 C LEU A 31 6.350 -9.701 0.870 1.00 0.00 C ATOM 376 O LEU A 31 5.753 -10.569 0.231 1.00 0.00 O ATOM 377 CB LEU A 31 7.316 -8.071 -0.755 1.00 0.00 C ATOM 378 CG LEU A 31 8.776 -8.491 -0.505 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.478 -8.802 -1.817 1.00 0.00 C ATOM 380 CD2 LEU A 31 9.541 -7.414 0.260 1.00 0.00 C ATOM 0 H LEU A 31 7.702 -7.167 1.586 1.00 0.00 H new ATOM 0 HA LEU A 31 5.344 -7.978 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.935 -8.642 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.307 -7.021 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 31 8.759 -9.393 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.508 -9.097 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.959 -9.616 -2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.470 -7.916 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.568 -7.742 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.541 -6.489 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.061 -7.241 1.223 1.00 0.00 H new ATOM 392 N ARG A 32 7.041 -9.953 1.964 1.00 0.00 N ATOM 393 CA ARG A 32 7.220 -11.297 2.470 1.00 0.00 C ATOM 394 C ARG A 32 5.947 -11.837 3.137 1.00 0.00 C ATOM 395 O ARG A 32 5.525 -12.955 2.844 1.00 0.00 O ATOM 396 CB ARG A 32 8.397 -11.330 3.442 1.00 0.00 C ATOM 397 CG ARG A 32 8.935 -12.721 3.720 1.00 0.00 C ATOM 398 CD ARG A 32 10.210 -12.661 4.547 1.00 0.00 C ATOM 399 NE ARG A 32 11.239 -11.817 3.918 1.00 0.00 N ATOM 400 CZ ARG A 32 12.390 -12.274 3.410 1.00 0.00 C ATOM 401 NH1 ARG A 32 12.660 -13.575 3.412 1.00 0.00 N ATOM 402 NH2 ARG A 32 13.268 -11.424 2.903 1.00 0.00 N ATOM 0 H ARG A 32 7.493 -9.232 2.526 1.00 0.00 H new ATOM 0 HA ARG A 32 7.434 -11.949 1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.202 -10.715 3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.089 -10.877 4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 32 8.182 -13.306 4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.133 -13.233 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.980 -12.273 5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.602 -13.669 4.682 1.00 0.00 H new ATOM 0 HE ARG A 32 11.063 -10.814 3.866 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.987 -14.235 3.803 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.540 -13.914 3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.067 -10.424 2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.146 -11.769 2.515 1.00 0.00 H new ATOM 416 N THR A 33 5.335 -11.044 4.022 1.00 0.00 N ATOM 417 CA THR A 33 4.131 -11.496 4.723 1.00 0.00 C ATOM 418 C THR A 33 3.485 -10.372 5.558 1.00 0.00 C ATOM 419 O THR A 33 2.258 -10.275 5.639 1.00 0.00 O ATOM 420 CB THR A 33 4.424 -12.739 5.621 1.00 0.00 C ATOM 421 OG1 THR A 33 3.202 -13.295 6.116 1.00 0.00 O ATOM 422 CG2 THR A 33 5.337 -12.387 6.792 1.00 0.00 C ATOM 0 H THR A 33 5.646 -10.104 4.266 1.00 0.00 H new ATOM 0 HA THR A 33 3.417 -11.787 3.952 1.00 0.00 H new ATOM 0 HB THR A 33 4.935 -13.475 5.001 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.400 -14.074 6.676 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.517 -13.278 7.393 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.286 -12.007 6.412 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.861 -11.624 7.408 1.00 0.00 H new ATOM 430 N VAL A 34 4.301 -9.526 6.165 1.00 0.00 N ATOM 431 CA VAL A 34 3.783 -8.432 6.972 1.00 0.00 C ATOM 432 C VAL A 34 3.210 -7.360 6.066 1.00 0.00 C ATOM 433 O VAL A 34 3.813 -7.019 5.058 1.00 0.00 O ATOM 434 CB VAL A 34 4.878 -7.826 7.885 1.00 0.00 C ATOM 435 CG1 VAL A 34 4.332 -6.658 8.699 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.447 -8.895 8.804 1.00 0.00 C ATOM 0 H VAL A 34 5.319 -9.574 6.115 1.00 0.00 H new ATOM 0 HA VAL A 34 2.999 -8.829 7.617 1.00 0.00 H new ATOM 0 HB VAL A 34 5.678 -7.446 7.249 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.123 -6.253 9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.973 -5.881 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.510 -7.004 9.325 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.215 -8.456 9.440 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.650 -9.302 9.426 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.884 -9.694 8.206 1.00 0.00 H new ATOM 446 N LEU A 35 2.037 -6.854 6.423 1.00 0.00 N ATOM 447 CA LEU A 35 1.353 -5.854 5.614 1.00 0.00 C ATOM 448 C LEU A 35 2.245 -4.653 5.327 1.00 0.00 C ATOM 449 O LEU A 35 2.988 -4.182 6.195 1.00 0.00 O ATOM 450 CB LEU A 35 0.027 -5.399 6.257 1.00 0.00 C ATOM 451 CG LEU A 35 0.125 -4.587 7.560 1.00 0.00 C ATOM 452 CD1 LEU A 35 -1.191 -3.884 7.837 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.496 -5.480 8.737 1.00 0.00 C ATOM 0 H LEU A 35 1.538 -7.121 7.271 1.00 0.00 H new ATOM 0 HA LEU A 35 1.116 -6.335 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.517 -4.801 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.575 -6.286 6.455 1.00 0.00 H new ATOM 0 HG LEU A 35 0.911 -3.842 7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.111 -3.312 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.424 -3.210 7.013 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.985 -4.624 7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.558 -4.879 9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.265 -6.250 8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.461 -5.951 8.547 1.00 0.00 H new ATOM 465 N ARG A 36 2.161 -4.180 4.102 1.00 0.00 N ATOM 466 CA ARG A 36 2.953 -3.060 3.631 1.00 0.00 C ATOM 467 C ARG A 36 2.640 -1.771 4.401 1.00 0.00 C ATOM 468 O ARG A 36 1.569 -1.627 5.003 1.00 0.00 O ATOM 469 CB ARG A 36 2.713 -2.851 2.145 1.00 0.00 C ATOM 470 CG ARG A 36 1.253 -2.625 1.793 1.00 0.00 C ATOM 471 CD ARG A 36 1.072 -2.274 0.321 1.00 0.00 C ATOM 472 NE ARG A 36 2.002 -1.222 -0.127 1.00 0.00 N ATOM 473 CZ ARG A 36 2.136 -0.018 0.442 1.00 0.00 C ATOM 474 NH1 ARG A 36 1.327 0.359 1.411 1.00 0.00 N ATOM 475 NH2 ARG A 36 3.066 0.812 0.014 1.00 0.00 N ATOM 0 H ARG A 36 1.534 -4.566 3.396 1.00 0.00 H new ATOM 0 HA ARG A 36 4.002 -3.298 3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.297 -1.994 1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.079 -3.721 1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.680 -3.523 2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.851 -1.822 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.222 -3.169 -0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.047 -1.944 0.153 1.00 0.00 H new ATOM 0 HE ARG A 36 2.590 -1.428 -0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.591 -0.269 1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.437 1.279 1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.683 0.537 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.169 1.730 0.447 1.00 0.00 H new ATOM 489 N THR A 37 3.565 -0.827 4.340 1.00 0.00 N ATOM 490 CA THR A 37 3.442 0.426 5.051 1.00 0.00 C ATOM 491 C THR A 37 2.426 1.345 4.395 1.00 0.00 C ATOM 492 O THR A 37 2.628 1.841 3.278 1.00 0.00 O ATOM 493 CB THR A 37 4.800 1.130 5.145 1.00 0.00 C ATOM 494 OG1 THR A 37 5.554 0.881 3.947 1.00 0.00 O ATOM 495 CG2 THR A 37 5.575 0.632 6.353 1.00 0.00 C ATOM 0 H THR A 37 4.422 -0.912 3.794 1.00 0.00 H new ATOM 0 HA THR A 37 3.090 0.195 6.056 1.00 0.00 H new ATOM 0 HB THR A 37 4.634 2.202 5.256 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.422 1.333 4.007 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.537 1.143 6.404 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.006 0.837 7.260 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.739 -0.442 6.263 1.00 0.00 H new ATOM 503 N GLY A 38 1.326 1.558 5.083 1.00 0.00 N ATOM 504 CA GLY A 38 0.288 2.396 4.562 1.00 0.00 C ATOM 505 C GLY A 38 -0.499 1.693 3.505 1.00 0.00 C ATOM 506 O GLY A 38 -0.707 2.229 2.412 1.00 0.00 O ATOM 0 H GLY A 38 1.135 1.160 6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.376 2.701 5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.725 3.305 4.149 1.00 0.00 H new ATOM 510 N VAL A 39 -0.881 0.466 3.809 1.00 0.00 N ATOM 511 CA VAL A 39 -1.675 -0.356 2.917 1.00 0.00 C ATOM 512 C VAL A 39 -2.973 0.360 2.501 1.00 0.00 C ATOM 513 O VAL A 39 -3.508 1.180 3.242 1.00 0.00 O ATOM 514 CB VAL A 39 -1.998 -1.716 3.581 1.00 0.00 C ATOM 515 CG1 VAL A 39 -2.898 -1.540 4.797 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.609 -2.671 2.579 1.00 0.00 C ATOM 0 H VAL A 39 -0.646 0.009 4.690 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.088 -0.534 2.016 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.061 -2.149 3.930 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.106 -2.514 5.240 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.399 -0.907 5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.834 -1.073 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.828 -3.620 3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.532 -2.244 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.908 -2.837 1.761 1.00 0.00 H new ATOM 526 N SER A 40 -3.451 0.054 1.306 1.00 0.00 N ATOM 527 CA SER A 40 -4.647 0.675 0.783 1.00 0.00 C ATOM 528 C SER A 40 -5.902 -0.007 1.334 1.00 0.00 C ATOM 529 O SER A 40 -5.842 -1.129 1.851 1.00 0.00 O ATOM 530 CB SER A 40 -4.637 0.623 -0.748 1.00 0.00 C ATOM 531 OG SER A 40 -5.701 1.385 -1.302 1.00 0.00 O ATOM 0 H SER A 40 -3.022 -0.627 0.679 1.00 0.00 H new ATOM 0 HA SER A 40 -4.663 1.717 1.101 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.685 1.002 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.719 -0.412 -1.078 1.00 0.00 H new ATOM 0 HG SER A 40 -5.334 2.093 -1.872 1.00 0.00 H new ATOM 537 N GLN A 41 -7.034 0.666 1.186 1.00 0.00 N ATOM 538 CA GLN A 41 -8.311 0.177 1.685 1.00 0.00 C ATOM 539 C GLN A 41 -8.802 -1.020 0.895 1.00 0.00 C ATOM 540 O GLN A 41 -9.738 -1.687 1.309 1.00 0.00 O ATOM 541 CB GLN A 41 -9.363 1.283 1.657 1.00 0.00 C ATOM 542 CG GLN A 41 -9.690 1.804 0.261 1.00 0.00 C ATOM 543 CD GLN A 41 -10.750 2.895 0.271 1.00 0.00 C ATOM 544 OE1 GLN A 41 -10.799 3.669 1.339 1.00 0.00 O flip ATOM 545 NE2 GLN A 41 -11.515 3.041 -0.678 1.00 0.00 N flip ATOM 0 H GLN A 41 -7.093 1.569 0.715 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.152 -0.139 2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.278 0.909 2.116 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.015 2.114 2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.781 2.191 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.033 0.976 -0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.448 2.424 -1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.218 3.780 -0.657 1.00 0.00 H new ATOM 554 N GLN A 42 -8.168 -1.277 -0.247 1.00 0.00 N ATOM 555 CA GLN A 42 -8.545 -2.399 -1.116 1.00 0.00 C ATOM 556 C GLN A 42 -8.626 -3.705 -0.309 1.00 0.00 C ATOM 557 O GLN A 42 -9.451 -4.579 -0.591 1.00 0.00 O ATOM 558 CB GLN A 42 -7.520 -2.573 -2.254 1.00 0.00 C ATOM 559 CG GLN A 42 -7.017 -1.273 -2.874 1.00 0.00 C ATOM 560 CD GLN A 42 -8.105 -0.435 -3.527 1.00 0.00 C ATOM 561 OE1 GLN A 42 -9.096 -0.952 -4.032 1.00 0.00 O ATOM 562 NE2 GLN A 42 -7.911 0.868 -3.519 1.00 0.00 N ATOM 0 H GLN A 42 -7.387 -0.723 -0.597 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.523 -2.176 -1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.665 -3.129 -1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.970 -3.181 -3.038 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.530 -0.679 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.258 -1.509 -3.620 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.072 1.256 -3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.600 1.489 -3.944 1.00 0.00 H new ATOM 571 N ILE A 43 -7.772 -3.823 0.708 1.00 0.00 N ATOM 572 CA ILE A 43 -7.736 -5.022 1.524 1.00 0.00 C ATOM 573 C ILE A 43 -8.798 -5.004 2.644 1.00 0.00 C ATOM 574 O ILE A 43 -9.580 -5.942 2.770 1.00 0.00 O ATOM 575 CB ILE A 43 -6.330 -5.288 2.131 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.933 -4.189 3.115 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.290 -5.399 1.019 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.022 -4.666 4.211 1.00 0.00 C ATOM 0 H ILE A 43 -7.102 -3.104 0.980 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.971 -5.841 0.844 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.372 -6.230 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.441 -3.384 2.569 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.834 -3.768 3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.309 -5.585 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.554 -6.222 0.355 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.264 -4.469 0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.781 -3.833 4.872 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.519 -5.450 4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.104 -5.060 3.775 1.00 0.00 H new ATOM 590 N ALA A 44 -8.821 -3.941 3.443 1.00 0.00 N ATOM 591 CA ALA A 44 -9.738 -3.853 4.566 1.00 0.00 C ATOM 592 C ALA A 44 -11.092 -3.339 4.127 1.00 0.00 C ATOM 593 O ALA A 44 -12.092 -4.054 4.205 1.00 0.00 O ATOM 594 CB ALA A 44 -9.156 -2.980 5.664 1.00 0.00 C ATOM 0 H ALA A 44 -8.213 -3.130 3.330 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.879 -4.857 4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.858 -2.926 6.496 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.215 -3.409 6.009 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.977 -1.978 5.275 1.00 0.00 H new ATOM 600 N SER A 45 -11.107 -2.068 3.708 1.00 0.00 N ATOM 601 CA SER A 45 -12.305 -1.384 3.189 1.00 0.00 C ATOM 602 C SER A 45 -13.228 -0.931 4.321 1.00 0.00 C ATOM 603 O SER A 45 -14.052 -0.039 4.144 1.00 0.00 O ATOM 604 CB SER A 45 -13.069 -2.271 2.186 1.00 0.00 C ATOM 605 OG SER A 45 -12.206 -2.743 1.158 1.00 0.00 O ATOM 0 H SER A 45 -10.277 -1.475 3.719 1.00 0.00 H new ATOM 0 HA SER A 45 -11.962 -0.495 2.660 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.513 -3.118 2.709 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.889 -1.704 1.745 1.00 0.00 H new ATOM 0 HG SER A 45 -11.319 -2.341 1.266 1.00 0.00 H new ATOM 611 N SER A 46 -13.070 -1.548 5.475 1.00 0.00 N ATOM 612 CA SER A 46 -13.883 -1.255 6.620 1.00 0.00 C ATOM 613 C SER A 46 -13.362 -0.033 7.380 1.00 0.00 C ATOM 614 O SER A 46 -13.828 1.087 7.180 1.00 0.00 O ATOM 615 CB SER A 46 -13.920 -2.484 7.521 1.00 0.00 C ATOM 616 OG SER A 46 -12.598 -2.960 7.780 1.00 0.00 O ATOM 0 H SER A 46 -12.368 -2.270 5.637 1.00 0.00 H new ATOM 0 HA SER A 46 -14.893 -1.012 6.289 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.414 -2.237 8.461 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.509 -3.270 7.048 1.00 0.00 H new ATOM 0 HG SER A 46 -12.352 -3.626 7.105 1.00 0.00 H new ATOM 622 N VAL A 47 -12.379 -0.260 8.231 1.00 0.00 N ATOM 623 CA VAL A 47 -11.806 0.792 9.050 1.00 0.00 C ATOM 624 C VAL A 47 -10.474 1.227 8.486 1.00 0.00 C ATOM 625 O VAL A 47 -10.228 2.411 8.252 1.00 0.00 O ATOM 626 CB VAL A 47 -11.586 0.300 10.495 1.00 0.00 C ATOM 627 CG1 VAL A 47 -11.082 1.428 11.380 1.00 0.00 C ATOM 628 CG2 VAL A 47 -12.862 -0.306 11.052 1.00 0.00 C ATOM 0 H VAL A 47 -11.956 -1.177 8.374 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.504 1.630 9.051 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.822 -0.477 10.481 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.934 1.057 12.394 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.136 1.802 10.989 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.814 2.236 11.392 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.687 -0.648 12.072 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.652 0.445 11.051 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.164 -1.151 10.433 1.00 0.00 H new ATOM 638 N VAL A 48 -9.618 0.253 8.273 1.00 0.00 N ATOM 639 CA VAL A 48 -8.288 0.490 7.764 1.00 0.00 C ATOM 640 C VAL A 48 -8.319 0.923 6.304 1.00 0.00 C ATOM 641 O VAL A 48 -8.318 0.092 5.395 1.00 0.00 O ATOM 642 CB VAL A 48 -7.402 -0.763 7.908 1.00 0.00 C ATOM 643 CG1 VAL A 48 -5.992 -0.498 7.401 1.00 0.00 C ATOM 644 CG2 VAL A 48 -7.382 -1.229 9.351 1.00 0.00 C ATOM 0 H VAL A 48 -9.827 -0.730 8.449 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.861 1.296 8.360 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.828 -1.557 7.295 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.389 -1.399 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.031 -0.218 6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.545 0.313 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.753 -2.115 9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.983 -0.436 9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.396 -1.472 9.669 1.00 0.00 H new ATOM 654 N GLN A 49 -8.406 2.216 6.085 1.00 0.00 N ATOM 655 CA GLN A 49 -8.349 2.743 4.744 1.00 0.00 C ATOM 656 C GLN A 49 -6.898 2.878 4.305 1.00 0.00 C ATOM 657 O GLN A 49 -6.567 2.674 3.142 1.00 0.00 O ATOM 658 CB GLN A 49 -9.085 4.070 4.650 1.00 0.00 C ATOM 659 CG GLN A 49 -10.578 3.946 4.911 1.00 0.00 C ATOM 660 CD GLN A 49 -11.317 5.253 4.738 1.00 0.00 C ATOM 661 OE1 GLN A 49 -10.914 6.110 3.957 1.00 0.00 O ATOM 662 NE2 GLN A 49 -12.412 5.405 5.450 1.00 0.00 N ATOM 0 H GLN A 49 -8.516 2.918 6.817 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.849 2.049 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.654 4.769 5.367 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.930 4.495 3.658 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.000 3.204 4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.735 3.577 5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.712 4.668 6.088 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.961 6.260 5.364 1.00 0.00 H new ATOM 671 N ARG A 50 -6.046 3.256 5.247 1.00 0.00 N ATOM 672 CA ARG A 50 -4.618 3.302 5.018 1.00 0.00 C ATOM 673 C ARG A 50 -3.847 3.194 6.340 1.00 0.00 C ATOM 674 O ARG A 50 -2.611 3.288 6.360 1.00 0.00 O ATOM 675 CB ARG A 50 -4.228 4.587 4.278 1.00 0.00 C ATOM 676 CG ARG A 50 -2.776 4.600 3.866 1.00 0.00 C ATOM 677 CD ARG A 50 -2.492 5.590 2.774 1.00 0.00 C ATOM 678 NE ARG A 50 -1.398 5.119 1.923 1.00 0.00 N ATOM 679 CZ ARG A 50 -1.435 5.091 0.588 1.00 0.00 C ATOM 680 NH1 ARG A 50 -2.476 5.602 -0.065 1.00 0.00 N ATOM 681 NH2 ARG A 50 -0.428 4.550 -0.091 1.00 0.00 N ATOM 0 H ARG A 50 -6.328 3.537 6.186 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.351 2.448 4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.854 4.697 3.393 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.428 5.446 4.918 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.159 4.835 4.733 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.489 3.603 3.531 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.388 5.743 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.232 6.555 3.209 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.548 4.789 2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.250 6.017 0.454 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.500 5.578 -1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.371 4.157 0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.454 4.527 -1.110 1.00 0.00 H new ATOM 695 N ALA A 51 -4.583 2.961 7.441 1.00 0.00 N ATOM 696 CA ALA A 51 -4.016 2.935 8.796 1.00 0.00 C ATOM 697 C ALA A 51 -3.526 4.327 9.207 1.00 0.00 C ATOM 698 O ALA A 51 -4.000 4.891 10.188 1.00 0.00 O ATOM 699 CB ALA A 51 -2.900 1.894 8.922 1.00 0.00 C ATOM 0 H ALA A 51 -5.587 2.786 7.414 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.810 2.639 9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.506 1.905 9.938 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.298 0.905 8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.101 2.131 8.220 1.00 0.00 H new ATOM 705 N ALA A 52 -2.597 4.878 8.433 1.00 0.00 N ATOM 706 CA ALA A 52 -2.060 6.196 8.690 1.00 0.00 C ATOM 707 C ALA A 52 -3.137 7.252 8.582 1.00 0.00 C ATOM 708 O ALA A 52 -3.953 7.235 7.656 1.00 0.00 O ATOM 709 CB ALA A 52 -0.928 6.506 7.748 1.00 0.00 C ATOM 0 H ALA A 52 -2.200 4.419 7.613 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.674 6.204 9.709 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.540 7.502 7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.133 5.772 7.880 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.289 6.469 6.720 1.00 0.00 H new ATOM 715 N GLN A 53 -3.091 8.186 9.505 1.00 0.00 N ATOM 716 CA GLN A 53 -4.089 9.249 9.646 1.00 0.00 C ATOM 717 C GLN A 53 -4.290 10.077 8.369 1.00 0.00 C ATOM 718 O GLN A 53 -5.296 10.741 8.228 1.00 0.00 O ATOM 719 CB GLN A 53 -3.732 10.178 10.825 1.00 0.00 C ATOM 720 CG GLN A 53 -2.443 10.985 10.643 1.00 0.00 C ATOM 721 CD GLN A 53 -1.180 10.137 10.675 1.00 0.00 C ATOM 722 OE1 GLN A 53 -1.187 9.078 11.475 1.00 0.00 O flip ATOM 723 NE2 GLN A 53 -0.202 10.444 9.998 1.00 0.00 N flip ATOM 0 H GLN A 53 -2.346 8.238 10.200 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.035 8.746 9.844 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.558 10.871 10.985 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.642 9.575 11.729 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.489 11.517 9.693 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.383 11.739 11.428 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.237 11.266 9.395 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.645 9.877 10.039 1.00 0.00 H new ATOM 732 N SER A 54 -3.338 10.031 7.451 1.00 0.00 N ATOM 733 CA SER A 54 -3.443 10.805 6.220 1.00 0.00 C ATOM 734 C SER A 54 -4.693 10.407 5.413 1.00 0.00 C ATOM 735 O SER A 54 -5.661 11.164 5.334 1.00 0.00 O ATOM 736 CB SER A 54 -2.171 10.641 5.372 1.00 0.00 C ATOM 737 OG SER A 54 -2.192 11.491 4.236 1.00 0.00 O ATOM 0 H SER A 54 -2.489 9.471 7.531 1.00 0.00 H new ATOM 0 HA SER A 54 -3.546 11.856 6.491 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.295 10.866 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.078 9.604 5.050 1.00 0.00 H new ATOM 0 HG SER A 54 -1.454 11.254 3.637 1.00 0.00 H new ATOM 743 N LEU A 55 -4.669 9.222 4.828 1.00 0.00 N ATOM 744 CA LEU A 55 -5.787 8.754 4.017 1.00 0.00 C ATOM 745 C LEU A 55 -6.847 8.046 4.871 1.00 0.00 C ATOM 746 O LEU A 55 -8.014 7.979 4.495 1.00 0.00 O ATOM 747 CB LEU A 55 -5.283 7.826 2.904 1.00 0.00 C ATOM 748 CG LEU A 55 -6.329 7.367 1.876 1.00 0.00 C ATOM 749 CD1 LEU A 55 -6.918 8.559 1.137 1.00 0.00 C ATOM 750 CD2 LEU A 55 -5.712 6.386 0.887 1.00 0.00 C ATOM 0 H LEU A 55 -3.891 8.566 4.897 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.260 9.626 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.480 8.335 2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.847 6.941 3.367 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.133 6.862 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.656 8.211 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.397 9.229 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.123 9.093 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.467 6.072 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.888 6.869 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.338 5.514 1.424 1.00 0.00 H new ATOM 762 N ALA A 56 -6.434 7.526 6.020 1.00 0.00 N ATOM 763 CA ALA A 56 -7.338 6.775 6.881 1.00 0.00 C ATOM 764 C ALA A 56 -8.263 7.667 7.684 1.00 0.00 C ATOM 765 O ALA A 56 -9.264 7.192 8.209 1.00 0.00 O ATOM 766 CB ALA A 56 -6.585 5.832 7.797 1.00 0.00 C ATOM 0 H ALA A 56 -5.482 7.610 6.376 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.962 6.182 6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.294 5.290 8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.013 5.123 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.906 6.404 8.429 1.00 0.00 H new ATOM 772 N SER A 57 -7.904 8.943 7.818 1.00 0.00 N ATOM 773 CA SER A 57 -8.711 9.889 8.585 1.00 0.00 C ATOM 774 C SER A 57 -10.155 9.899 8.090 1.00 0.00 C ATOM 775 O SER A 57 -10.475 10.508 7.066 1.00 0.00 O ATOM 776 CB SER A 57 -8.124 11.298 8.501 1.00 0.00 C ATOM 777 OG SER A 57 -8.702 12.149 9.472 1.00 0.00 O ATOM 0 H SER A 57 -7.061 9.344 7.406 1.00 0.00 H new ATOM 0 HA SER A 57 -8.700 9.566 9.626 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.045 11.255 8.647 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.295 11.708 7.506 1.00 0.00 H new ATOM 0 HG SER A 57 -8.309 13.044 9.399 1.00 0.00 H new ATOM 783 N THR A 58 -11.009 9.199 8.808 1.00 0.00 N ATOM 784 CA THR A 58 -12.402 9.111 8.457 1.00 0.00 C ATOM 785 C THR A 58 -13.279 9.234 9.702 1.00 0.00 C ATOM 786 O THR A 58 -14.353 9.821 9.663 1.00 0.00 O ATOM 787 CB THR A 58 -12.705 7.775 7.703 1.00 0.00 C ATOM 788 OG1 THR A 58 -14.069 7.737 7.259 1.00 0.00 O ATOM 789 CG2 THR A 58 -12.425 6.562 8.585 1.00 0.00 C ATOM 0 H THR A 58 -10.753 8.679 9.647 1.00 0.00 H new ATOM 0 HA THR A 58 -12.634 9.939 7.787 1.00 0.00 H new ATOM 0 HB THR A 58 -12.044 7.737 6.837 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.237 6.894 6.789 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.646 5.650 8.030 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.376 6.562 8.881 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.053 6.607 9.475 1.00 0.00 H new ATOM 797 N LEU A 59 -12.809 8.676 10.807 1.00 0.00 N ATOM 798 CA LEU A 59 -13.555 8.693 12.050 1.00 0.00 C ATOM 799 C LEU A 59 -12.766 9.333 13.179 1.00 0.00 C ATOM 800 O LEU A 59 -13.156 9.256 14.345 1.00 0.00 O ATOM 801 CB LEU A 59 -13.948 7.277 12.411 1.00 0.00 C ATOM 802 CG LEU A 59 -12.815 6.274 12.469 1.00 0.00 C ATOM 803 CD1 LEU A 59 -12.140 6.339 13.817 1.00 0.00 C ATOM 804 CD2 LEU A 59 -13.325 4.879 12.185 1.00 0.00 C ATOM 0 H LEU A 59 -11.907 8.203 10.865 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.449 9.300 11.906 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -14.444 7.294 13.382 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.681 6.927 11.685 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.082 6.523 11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -11.326 5.615 13.852 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.741 7.341 13.976 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.864 6.108 14.598 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -12.496 4.172 12.231 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -14.075 4.608 12.928 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -13.772 4.850 11.191 1.00 0.00 H new ATOM 816 N GLY A 60 -11.675 9.967 12.843 1.00 0.00 N ATOM 817 CA GLY A 60 -10.825 10.519 13.863 1.00 0.00 C ATOM 818 C GLY A 60 -9.700 9.580 14.198 1.00 0.00 C ATOM 819 O GLY A 60 -9.496 9.221 15.354 1.00 0.00 O ATOM 0 H GLY A 60 -11.357 10.113 11.885 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.418 11.472 13.525 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.412 10.722 14.759 1.00 0.00 H new ATOM 823 N VAL A 61 -8.992 9.165 13.173 1.00 0.00 N ATOM 824 CA VAL A 61 -7.840 8.280 13.327 1.00 0.00 C ATOM 825 C VAL A 61 -6.592 9.115 13.582 1.00 0.00 C ATOM 826 O VAL A 61 -6.166 9.874 12.716 1.00 0.00 O ATOM 827 CB VAL A 61 -7.601 7.449 12.042 1.00 0.00 C ATOM 828 CG1 VAL A 61 -6.707 6.250 12.320 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.919 7.029 11.403 1.00 0.00 C ATOM 0 H VAL A 61 -9.191 9.426 12.207 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.041 7.609 14.162 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.080 8.085 11.326 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.558 5.686 11.399 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.743 6.594 12.695 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.179 5.609 13.065 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.718 6.447 10.503 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.488 6.423 12.108 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.495 7.916 11.140 1.00 0.00 H new ATOM 839 N ASP A 62 -6.013 8.987 14.773 1.00 0.00 N ATOM 840 CA ASP A 62 -4.833 9.783 15.128 1.00 0.00 C ATOM 841 C ASP A 62 -4.013 9.127 16.218 1.00 0.00 C ATOM 842 O ASP A 62 -3.124 9.745 16.799 1.00 0.00 O ATOM 843 CB ASP A 62 -5.243 11.197 15.569 1.00 0.00 C ATOM 844 CG ASP A 62 -5.939 11.211 16.927 1.00 0.00 C ATOM 845 OD1 ASP A 62 -7.111 10.793 17.009 1.00 0.00 O ATOM 846 OD2 ASP A 62 -5.316 11.642 17.918 1.00 0.00 O ATOM 0 H ASP A 62 -6.333 8.350 15.502 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.214 9.848 14.233 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.357 11.831 15.613 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.907 11.629 14.820 1.00 0.00 H new ATOM 851 N GLY A 63 -4.278 7.889 16.465 1.00 0.00 N ATOM 852 CA GLY A 63 -3.548 7.192 17.503 1.00 0.00 C ATOM 853 C GLY A 63 -4.389 6.182 18.237 1.00 0.00 C ATOM 854 O GLY A 63 -3.944 5.059 18.481 1.00 0.00 O ATOM 0 H GLY A 63 -4.981 7.334 15.978 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.689 6.688 17.060 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.158 7.919 18.216 1.00 0.00 H new ATOM 858 N ASN A 64 -5.613 6.568 18.575 1.00 0.00 N ATOM 859 CA ASN A 64 -6.522 5.700 19.330 1.00 0.00 C ATOM 860 C ASN A 64 -6.775 4.407 18.576 1.00 0.00 C ATOM 861 O ASN A 64 -6.329 3.334 18.983 1.00 0.00 O ATOM 862 CB ASN A 64 -7.852 6.416 19.603 1.00 0.00 C ATOM 863 CG ASN A 64 -7.678 7.734 20.339 1.00 0.00 C ATOM 864 OD1 ASN A 64 -6.749 7.906 21.128 1.00 0.00 O ATOM 865 ND2 ASN A 64 -8.556 8.679 20.069 1.00 0.00 N ATOM 0 H ASN A 64 -6.005 7.480 18.339 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.050 5.464 20.283 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.360 6.599 18.656 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.497 5.761 20.189 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.479 9.591 20.520 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.313 8.499 19.409 1.00 0.00 H new ATOM 872 N ASN A 65 -7.473 4.516 17.463 1.00 0.00 N ATOM 873 CA ASN A 65 -7.763 3.360 16.628 1.00 0.00 C ATOM 874 C ASN A 65 -6.622 3.098 15.654 1.00 0.00 C ATOM 875 O ASN A 65 -6.752 2.299 14.743 1.00 0.00 O ATOM 876 CB ASN A 65 -9.073 3.542 15.862 1.00 0.00 C ATOM 877 CG ASN A 65 -9.038 4.705 14.891 1.00 0.00 C ATOM 878 OD1 ASN A 65 -8.426 5.743 15.158 1.00 0.00 O ATOM 879 ND2 ASN A 65 -9.675 4.537 13.755 1.00 0.00 N ATOM 0 H ASN A 65 -7.852 5.395 17.112 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.869 2.498 17.287 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.297 2.626 15.315 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -9.885 3.695 16.573 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.675 5.280 13.056 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.169 3.664 13.572 1.00 0.00 H new ATOM 886 N LEU A 66 -5.521 3.792 15.845 1.00 0.00 N ATOM 887 CA LEU A 66 -4.346 3.615 15.011 1.00 0.00 C ATOM 888 C LEU A 66 -3.454 2.506 15.573 1.00 0.00 C ATOM 889 O LEU A 66 -3.058 1.586 14.856 1.00 0.00 O ATOM 890 CB LEU A 66 -3.588 4.945 14.898 1.00 0.00 C ATOM 891 CG LEU A 66 -2.241 4.926 14.168 1.00 0.00 C ATOM 892 CD1 LEU A 66 -2.368 4.279 12.799 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.699 6.343 14.035 1.00 0.00 C ATOM 0 H LEU A 66 -5.412 4.492 16.579 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.654 3.311 14.011 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.236 5.661 14.392 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.420 5.324 15.906 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.543 4.331 14.757 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.397 4.280 12.305 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.716 3.252 12.913 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.082 4.840 12.196 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.741 6.319 13.515 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.405 6.951 13.468 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.563 6.775 15.026 1.00 0.00 H new ATOM 905 N ALA A 67 -3.149 2.600 16.861 1.00 0.00 N ATOM 906 CA ALA A 67 -2.319 1.606 17.525 1.00 0.00 C ATOM 907 C ALA A 67 -3.139 0.397 17.927 1.00 0.00 C ATOM 908 O ALA A 67 -2.620 -0.707 18.050 1.00 0.00 O ATOM 909 CB ALA A 67 -1.642 2.206 18.742 1.00 0.00 C ATOM 0 H ALA A 67 -3.465 3.357 17.467 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.553 1.283 16.820 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.026 1.448 19.226 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.014 3.042 18.434 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.399 2.559 19.442 1.00 0.00 H new ATOM 915 N ARG A 68 -4.421 0.611 18.138 1.00 0.00 N ATOM 916 CA ARG A 68 -5.320 -0.455 18.530 1.00 0.00 C ATOM 917 C ARG A 68 -6.508 -0.493 17.591 1.00 0.00 C ATOM 918 O ARG A 68 -6.680 0.410 16.793 1.00 0.00 O ATOM 919 CB ARG A 68 -5.787 -0.257 19.976 1.00 0.00 C ATOM 920 CG ARG A 68 -4.655 -0.293 20.990 1.00 0.00 C ATOM 921 CD ARG A 68 -5.159 -0.113 22.409 1.00 0.00 C ATOM 922 NE ARG A 68 -4.071 -0.201 23.382 1.00 0.00 N ATOM 923 CZ ARG A 68 -4.239 -0.214 24.706 1.00 0.00 C ATOM 924 NH1 ARG A 68 -5.463 -0.147 25.226 1.00 0.00 N ATOM 925 NH2 ARG A 68 -3.182 -0.302 25.510 1.00 0.00 N ATOM 0 H ARG A 68 -4.868 1.523 18.043 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.790 -1.406 18.470 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.304 0.699 20.055 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.512 -1.032 20.225 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.127 -1.243 20.910 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.935 0.492 20.758 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.652 0.855 22.500 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.907 -0.874 22.629 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.117 -0.256 23.024 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.275 -0.086 24.612 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.588 -0.157 26.238 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.244 -0.359 25.114 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.310 -0.312 26.522 1.00 0.00 H new ATOM 939 N PHE A 69 -7.314 -1.550 17.684 1.00 0.00 N ATOM 940 CA PHE A 69 -8.521 -1.723 16.844 1.00 0.00 C ATOM 941 C PHE A 69 -8.177 -2.002 15.368 1.00 0.00 C ATOM 942 O PHE A 69 -8.496 -3.068 14.850 1.00 0.00 O ATOM 943 CB PHE A 69 -9.462 -0.506 16.956 1.00 0.00 C ATOM 944 CG PHE A 69 -9.978 -0.254 18.349 1.00 0.00 C ATOM 945 CD1 PHE A 69 -11.036 -0.992 18.854 1.00 0.00 C ATOM 946 CD2 PHE A 69 -9.404 0.721 19.153 1.00 0.00 C ATOM 947 CE1 PHE A 69 -11.512 -0.762 20.131 1.00 0.00 C ATOM 948 CE2 PHE A 69 -9.875 0.954 20.429 1.00 0.00 C ATOM 949 CZ PHE A 69 -10.930 0.212 20.918 1.00 0.00 C ATOM 0 H PHE A 69 -7.158 -2.315 18.340 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.040 -2.601 17.229 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.933 0.382 16.610 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.310 -0.653 16.287 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.494 -1.756 18.243 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.578 1.305 18.775 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.338 -1.343 20.513 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.419 1.716 21.044 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.301 0.393 21.916 1.00 0.00 H new ATOM 959 N ALA A 70 -7.514 -1.051 14.710 1.00 0.00 N ATOM 960 CA ALA A 70 -7.145 -1.189 13.297 1.00 0.00 C ATOM 961 C ALA A 70 -6.265 -2.409 13.077 1.00 0.00 C ATOM 962 O ALA A 70 -6.640 -3.343 12.363 1.00 0.00 O ATOM 963 CB ALA A 70 -6.427 0.060 12.819 1.00 0.00 C ATOM 0 H ALA A 70 -7.219 -0.171 15.134 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.061 -1.320 12.721 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.158 -0.054 11.769 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.083 0.923 12.934 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.524 0.209 13.411 1.00 0.00 H new ATOM 969 N VAL A 71 -5.099 -2.401 13.702 1.00 0.00 N ATOM 970 CA VAL A 71 -4.166 -3.506 13.581 1.00 0.00 C ATOM 971 C VAL A 71 -4.749 -4.780 14.197 1.00 0.00 C ATOM 972 O VAL A 71 -4.524 -5.880 13.702 1.00 0.00 O ATOM 973 CB VAL A 71 -2.797 -3.173 14.236 1.00 0.00 C ATOM 974 CG1 VAL A 71 -2.968 -2.765 15.695 1.00 0.00 C ATOM 975 CG2 VAL A 71 -1.838 -4.350 14.113 1.00 0.00 C ATOM 0 H VAL A 71 -4.777 -1.639 14.299 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.999 -3.674 12.517 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.369 -2.326 13.701 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.993 -2.538 16.126 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.605 -1.882 15.754 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.429 -3.582 16.250 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.886 -4.094 14.578 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.264 -5.220 14.613 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.677 -4.579 13.060 1.00 0.00 H new ATOM 985 N GLN A 72 -5.538 -4.609 15.248 1.00 0.00 N ATOM 986 CA GLN A 72 -6.145 -5.735 15.950 1.00 0.00 C ATOM 987 C GLN A 72 -7.162 -6.462 15.085 1.00 0.00 C ATOM 988 O GLN A 72 -7.477 -7.612 15.336 1.00 0.00 O ATOM 989 CB GLN A 72 -6.800 -5.270 17.241 1.00 0.00 C ATOM 990 CG GLN A 72 -5.814 -4.909 18.334 1.00 0.00 C ATOM 991 CD GLN A 72 -6.500 -4.438 19.599 1.00 0.00 C ATOM 992 OE1 GLN A 72 -7.633 -4.825 19.883 1.00 0.00 O ATOM 993 NE2 GLN A 72 -5.817 -3.620 20.370 1.00 0.00 N ATOM 0 H GLN A 72 -5.775 -3.696 15.637 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.345 -6.436 16.185 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.425 -4.403 17.028 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.460 -6.057 17.606 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.195 -5.777 18.562 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.146 -4.126 17.973 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.880 -3.324 20.096 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.224 -3.282 21.242 1.00 0.00 H new ATOM 1002 N ALA A 73 -7.694 -5.781 14.092 1.00 0.00 N ATOM 1003 CA ALA A 73 -8.651 -6.393 13.192 1.00 0.00 C ATOM 1004 C ALA A 73 -7.940 -7.124 12.061 1.00 0.00 C ATOM 1005 O ALA A 73 -8.194 -8.301 11.806 1.00 0.00 O ATOM 1006 CB ALA A 73 -9.601 -5.344 12.632 1.00 0.00 C ATOM 0 H ALA A 73 -7.481 -4.805 13.887 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.232 -7.122 13.757 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.313 -5.821 11.958 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.140 -4.867 13.451 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.032 -4.592 12.086 1.00 0.00 H new ATOM 1012 N VAL A 74 -7.026 -6.426 11.410 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.321 -6.967 10.255 1.00 0.00 C ATOM 1014 C VAL A 74 -5.322 -8.067 10.641 1.00 0.00 C ATOM 1015 O VAL A 74 -5.162 -9.043 9.921 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.603 -5.851 9.459 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.899 -6.422 8.234 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.598 -4.775 9.047 1.00 0.00 C ATOM 0 H VAL A 74 -6.751 -5.476 11.662 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.081 -7.420 9.617 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.848 -5.403 10.104 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.402 -5.617 7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.159 -7.158 8.549 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.631 -6.900 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.080 -3.996 8.488 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.373 -5.217 8.421 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.054 -4.341 9.937 1.00 0.00 H new ATOM 1028 N SER A 75 -4.672 -7.919 11.777 1.00 0.00 N ATOM 1029 CA SER A 75 -3.688 -8.900 12.209 1.00 0.00 C ATOM 1030 C SER A 75 -4.360 -10.087 12.910 1.00 0.00 C ATOM 1031 O SER A 75 -3.687 -11.014 13.371 1.00 0.00 O ATOM 1032 CB SER A 75 -2.642 -8.247 13.125 1.00 0.00 C ATOM 1033 OG SER A 75 -1.580 -9.140 13.421 1.00 0.00 O ATOM 0 H SER A 75 -4.803 -7.136 12.417 1.00 0.00 H new ATOM 0 HA SER A 75 -3.180 -9.281 11.323 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.244 -7.353 12.645 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.118 -7.926 14.052 1.00 0.00 H new ATOM 0 HG SER A 75 -1.917 -10.060 13.424 1.00 0.00 H new ATOM 1039 N ARG A 76 -5.682 -10.053 12.986 1.00 0.00 N ATOM 1040 CA ARG A 76 -6.436 -11.107 13.641 1.00 0.00 C ATOM 1041 C ARG A 76 -7.150 -11.991 12.625 1.00 0.00 C ATOM 1042 O ARG A 76 -7.492 -13.140 12.923 1.00 0.00 O ATOM 1043 CB ARG A 76 -7.446 -10.496 14.596 1.00 0.00 C ATOM 1044 CG ARG A 76 -8.219 -11.506 15.414 1.00 0.00 C ATOM 1045 CD ARG A 76 -9.130 -10.814 16.396 1.00 0.00 C ATOM 1046 NE ARG A 76 -8.376 -10.004 17.354 1.00 0.00 N ATOM 1047 CZ ARG A 76 -8.917 -9.154 18.226 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -10.237 -9.014 18.301 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -8.132 -8.454 19.032 1.00 0.00 N ATOM 0 H ARG A 76 -6.255 -9.303 12.600 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.737 -11.731 14.197 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.925 -9.820 15.274 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.151 -9.893 14.024 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.806 -12.143 14.753 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.526 -12.155 15.949 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.833 -10.179 15.856 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.719 -11.558 16.932 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.360 -10.097 17.354 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.843 -9.559 17.688 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.643 -8.361 18.971 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.120 -8.567 18.983 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.540 -7.802 19.702 1.00 0.00 H new ATOM 1063 N LEU A 77 -7.367 -11.465 11.426 1.00 0.00 N ATOM 1064 CA LEU A 77 -8.086 -12.209 10.401 1.00 0.00 C ATOM 1065 C LEU A 77 -7.328 -13.472 9.989 1.00 0.00 C ATOM 1066 O LEU A 77 -6.092 -13.498 9.981 1.00 0.00 O ATOM 1067 CB LEU A 77 -8.430 -11.309 9.181 1.00 0.00 C ATOM 1068 CG LEU A 77 -7.266 -10.607 8.460 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -6.545 -11.552 7.502 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -7.769 -9.379 7.718 1.00 0.00 C ATOM 0 H LEU A 77 -7.059 -10.535 11.142 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.032 -12.534 10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.957 -11.922 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.128 -10.542 9.516 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.547 -10.294 9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.730 -11.020 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.143 -12.398 8.059 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.247 -11.913 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.935 -8.892 7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.514 -9.679 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.219 -8.684 8.427 1.00 0.00 H new ATOM 1171 N TYR A 86 -3.198 -10.490 -0.380 1.00 0.00 N ATOM 1172 CA TYR A 86 -3.382 -9.138 0.079 1.00 0.00 C ATOM 1173 C TYR A 86 -2.403 -8.201 -0.623 1.00 0.00 C ATOM 1174 O TYR A 86 -1.723 -8.591 -1.574 1.00 0.00 O ATOM 1175 CB TYR A 86 -3.229 -9.058 1.606 1.00 0.00 C ATOM 1176 CG TYR A 86 -4.510 -9.357 2.347 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -5.194 -10.546 2.143 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -5.046 -8.438 3.239 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -6.374 -10.813 2.804 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -6.224 -8.698 3.910 1.00 0.00 C ATOM 1181 CZ TYR A 86 -6.885 -9.888 3.685 1.00 0.00 C ATOM 1182 OH TYR A 86 -8.070 -10.146 4.336 1.00 0.00 O ATOM 0 HA TYR A 86 -4.394 -8.820 -0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.459 -9.761 1.925 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.883 -8.061 1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.795 -11.276 1.454 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.532 -7.504 3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.895 -11.743 2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.625 -7.976 4.606 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.171 -11.113 4.461 1.00 0.00 H new ATOM 1192 N ALA A 87 -2.316 -6.982 -0.145 1.00 0.00 N ATOM 1193 CA ALA A 87 -1.465 -5.970 -0.758 1.00 0.00 C ATOM 1194 C ALA A 87 0.015 -6.186 -0.434 1.00 0.00 C ATOM 1195 O ALA A 87 0.842 -5.308 -0.683 1.00 0.00 O ATOM 1196 CB ALA A 87 -1.901 -4.600 -0.300 1.00 0.00 C ATOM 0 H ALA A 87 -2.828 -6.657 0.676 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.574 -6.054 -1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.264 -3.843 -0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.937 -4.430 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.817 -4.535 0.785 1.00 0.00 H new ATOM 1202 N GLN A 88 0.340 -7.352 0.098 1.00 0.00 N ATOM 1203 CA GLN A 88 1.707 -7.678 0.471 1.00 0.00 C ATOM 1204 C GLN A 88 2.596 -7.798 -0.757 1.00 0.00 C ATOM 1205 O GLN A 88 3.678 -7.217 -0.816 1.00 0.00 O ATOM 1206 CB GLN A 88 1.756 -8.976 1.287 1.00 0.00 C ATOM 1207 CG GLN A 88 1.642 -8.791 2.802 1.00 0.00 C ATOM 1208 CD GLN A 88 0.254 -8.379 3.293 1.00 0.00 C ATOM 1209 OE1 GLN A 88 -0.500 -7.691 2.611 1.00 0.00 O ATOM 1210 NE2 GLN A 88 -0.083 -8.805 4.490 1.00 0.00 N ATOM 0 H GLN A 88 -0.332 -8.096 0.283 1.00 0.00 H new ATOM 0 HA GLN A 88 2.083 -6.863 1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.949 -9.628 0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.692 -9.490 1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.923 -9.724 3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.363 -8.037 3.117 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.568 -9.375 5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.995 -8.565 4.878 1.00 0.00 H new ATOM 1219 N ALA A 89 2.132 -8.535 -1.743 1.00 0.00 N ATOM 1220 CA ALA A 89 2.893 -8.717 -2.962 1.00 0.00 C ATOM 1221 C ALA A 89 2.905 -7.434 -3.786 1.00 0.00 C ATOM 1222 O ALA A 89 3.877 -7.135 -4.477 1.00 0.00 O ATOM 1223 CB ALA A 89 2.320 -9.869 -3.774 1.00 0.00 C ATOM 0 H ALA A 89 1.233 -9.017 -1.726 1.00 0.00 H new ATOM 0 HA ALA A 89 3.922 -8.958 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.901 -9.995 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.365 -10.786 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.283 -9.653 -4.031 1.00 0.00 H new ATOM 1229 N PHE A 90 1.828 -6.664 -3.672 1.00 0.00 N ATOM 1230 CA PHE A 90 1.656 -5.426 -4.437 1.00 0.00 C ATOM 1231 C PHE A 90 2.359 -4.240 -3.772 1.00 0.00 C ATOM 1232 O PHE A 90 2.202 -3.096 -4.206 1.00 0.00 O ATOM 1233 CB PHE A 90 0.160 -5.113 -4.605 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.617 -6.195 -5.305 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -1.202 -7.226 -4.586 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.757 -6.184 -6.684 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -1.910 -8.223 -5.226 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.464 -7.179 -7.331 1.00 0.00 C ATOM 1239 CZ PHE A 90 -2.041 -8.201 -6.601 1.00 0.00 C ATOM 0 H PHE A 90 1.049 -6.877 -3.049 1.00 0.00 H new ATOM 0 HA PHE A 90 2.113 -5.580 -5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.278 -4.944 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.054 -4.184 -5.165 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.102 -7.249 -3.511 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.308 -5.388 -7.260 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.361 -9.019 -4.653 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.566 -7.158 -8.406 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.593 -8.981 -7.105 1.00 0.00 H new ATOM 1249 N SER A 91 3.145 -4.519 -2.745 1.00 0.00 N ATOM 1250 CA SER A 91 3.815 -3.481 -1.970 1.00 0.00 C ATOM 1251 C SER A 91 4.614 -2.479 -2.823 1.00 0.00 C ATOM 1252 O SER A 91 4.528 -1.279 -2.587 1.00 0.00 O ATOM 1253 CB SER A 91 4.700 -4.101 -0.898 1.00 0.00 C ATOM 1254 OG SER A 91 3.921 -4.766 0.072 1.00 0.00 O ATOM 0 H SER A 91 3.338 -5.468 -2.424 1.00 0.00 H new ATOM 0 HA SER A 91 3.022 -2.901 -1.498 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.396 -4.804 -1.356 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.299 -3.325 -0.421 1.00 0.00 H new ATOM 0 HG SER A 91 3.867 -5.719 -0.149 1.00 0.00 H new ATOM 1260 N SER A 92 5.364 -2.961 -3.815 1.00 0.00 N ATOM 1261 CA SER A 92 6.199 -2.077 -4.643 1.00 0.00 C ATOM 1262 C SER A 92 5.375 -1.047 -5.406 1.00 0.00 C ATOM 1263 O SER A 92 5.691 0.148 -5.389 1.00 0.00 O ATOM 1264 CB SER A 92 7.029 -2.881 -5.631 1.00 0.00 C ATOM 1265 OG SER A 92 7.852 -3.812 -4.969 1.00 0.00 O ATOM 0 H SER A 92 5.414 -3.948 -4.066 1.00 0.00 H new ATOM 0 HA SER A 92 6.857 -1.546 -3.955 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.369 -3.404 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.645 -2.206 -6.226 1.00 0.00 H new ATOM 0 HG SER A 92 7.490 -4.714 -5.093 1.00 0.00 H new ATOM 1271 N ALA A 93 4.327 -1.506 -6.069 1.00 0.00 N ATOM 1272 CA ALA A 93 3.507 -0.627 -6.883 1.00 0.00 C ATOM 1273 C ALA A 93 2.703 0.332 -6.018 1.00 0.00 C ATOM 1274 O ALA A 93 2.418 1.448 -6.419 1.00 0.00 O ATOM 1275 CB ALA A 93 2.582 -1.439 -7.775 1.00 0.00 C ATOM 0 H ALA A 93 4.025 -2.480 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 93 4.171 -0.036 -7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.974 -0.765 -8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.176 -2.077 -8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.932 -2.058 -7.157 1.00 0.00 H new ATOM 1281 N LEU A 94 2.344 -0.119 -4.825 1.00 0.00 N ATOM 1282 CA LEU A 94 1.562 0.692 -3.903 1.00 0.00 C ATOM 1283 C LEU A 94 2.445 1.632 -3.087 1.00 0.00 C ATOM 1284 O LEU A 94 1.957 2.566 -2.461 1.00 0.00 O ATOM 1285 CB LEU A 94 0.737 -0.192 -2.973 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.157 -1.222 -3.660 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.023 -1.937 -2.643 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.008 -0.566 -4.729 1.00 0.00 C ATOM 0 H LEU A 94 2.583 -1.046 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 94 0.887 1.303 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.417 -0.718 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.111 0.449 -2.353 1.00 0.00 H new ATOM 0 HG LEU A 94 0.481 -1.962 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.653 -2.667 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.388 -2.447 -1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.652 -1.212 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.637 -1.318 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.638 0.199 -4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.362 -0.106 -5.477 1.00 0.00 H new ATOM 1300 N PHE A 95 3.727 1.332 -3.023 1.00 0.00 N ATOM 1301 CA PHE A 95 4.659 2.175 -2.294 1.00 0.00 C ATOM 1302 C PHE A 95 5.200 3.291 -3.182 1.00 0.00 C ATOM 1303 O PHE A 95 5.392 4.417 -2.723 1.00 0.00 O ATOM 1304 CB PHE A 95 5.809 1.335 -1.712 1.00 0.00 C ATOM 1305 CG PHE A 95 6.693 2.085 -0.753 1.00 0.00 C ATOM 1306 CD1 PHE A 95 6.325 2.233 0.573 1.00 0.00 C ATOM 1307 CD2 PHE A 95 7.891 2.635 -1.176 1.00 0.00 C ATOM 1308 CE1 PHE A 95 7.133 2.917 1.461 1.00 0.00 C ATOM 1309 CE2 PHE A 95 8.705 3.320 -0.295 1.00 0.00 C ATOM 1310 CZ PHE A 95 8.325 3.461 1.026 1.00 0.00 C ATOM 0 H PHE A 95 4.148 0.514 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 95 4.119 2.637 -1.467 1.00 0.00 H new ATOM 0 HB2 PHE A 95 5.389 0.469 -1.201 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.419 0.957 -2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.394 1.808 0.918 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.193 2.527 -2.207 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.833 3.026 2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.637 3.745 -0.638 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.959 3.996 1.717 1.00 0.00 H new ATOM 1320 N ASN A 96 5.424 2.963 -4.462 1.00 0.00 N ATOM 1321 CA ASN A 96 6.016 3.898 -5.431 1.00 0.00 C ATOM 1322 C ASN A 96 7.354 4.425 -4.913 1.00 0.00 C ATOM 1323 O ASN A 96 7.511 5.613 -4.621 1.00 0.00 O ATOM 1324 CB ASN A 96 5.064 5.064 -5.787 1.00 0.00 C ATOM 1325 CG ASN A 96 3.837 4.629 -6.578 1.00 0.00 C ATOM 1326 OD1 ASN A 96 3.999 3.645 -7.445 1.00 0.00 O flip ATOM 1327 ND2 ASN A 96 2.760 5.199 -6.432 1.00 0.00 N flip ATOM 0 H ASN A 96 5.202 2.048 -4.854 1.00 0.00 H new ATOM 0 HA ASN A 96 6.187 3.342 -6.353 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.739 5.551 -4.867 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.614 5.807 -6.364 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.671 5.955 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.954 4.917 -6.990 1.00 0.00 H new ATOM 1334 N ALA A 97 8.312 3.508 -4.783 1.00 0.00 N ATOM 1335 CA ALA A 97 9.645 3.829 -4.270 1.00 0.00 C ATOM 1336 C ALA A 97 10.450 4.661 -5.267 1.00 0.00 C ATOM 1337 O ALA A 97 11.470 5.251 -4.917 1.00 0.00 O ATOM 1338 CB ALA A 97 10.398 2.549 -3.940 1.00 0.00 C ATOM 0 H ALA A 97 8.188 2.526 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 97 9.517 4.423 -3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.389 2.798 -3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.849 1.988 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.497 1.943 -4.840 1.00 0.00 H new ATOM 1344 N GLY A 98 9.992 4.687 -6.508 1.00 0.00 N ATOM 1345 CA GLY A 98 10.681 5.426 -7.547 1.00 0.00 C ATOM 1346 C GLY A 98 11.662 4.567 -8.302 1.00 0.00 C ATOM 1347 O GLY A 98 12.140 4.945 -9.369 1.00 0.00 O ATOM 0 H GLY A 98 9.148 4.205 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.950 5.837 -8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.208 6.270 -7.102 1.00 0.00 H new ATOM 1351 N VAL A 99 11.957 3.400 -7.747 1.00 0.00 N ATOM 1352 CA VAL A 99 12.873 2.456 -8.370 1.00 0.00 C ATOM 1353 C VAL A 99 12.189 1.772 -9.551 1.00 0.00 C ATOM 1354 O VAL A 99 12.838 1.333 -10.499 1.00 0.00 O ATOM 1355 CB VAL A 99 13.342 1.385 -7.352 1.00 0.00 C ATOM 1356 CG1 VAL A 99 14.404 0.478 -7.958 1.00 0.00 C ATOM 1357 CG2 VAL A 99 13.858 2.046 -6.082 1.00 0.00 C ATOM 0 H VAL A 99 11.571 3.083 -6.858 1.00 0.00 H new ATOM 0 HA VAL A 99 13.745 3.008 -8.720 1.00 0.00 H new ATOM 0 HB VAL A 99 12.483 0.765 -7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 99 14.714 -0.263 -7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 99 13.994 -0.029 -8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.266 1.075 -8.256 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.183 1.279 -5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.699 2.695 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.062 2.638 -5.631 1.00 0.00 H new ATOM 1367 N LEU A 100 10.873 1.724 -9.495 1.00 0.00 N ATOM 1368 CA LEU A 100 10.086 1.108 -10.541 1.00 0.00 C ATOM 1369 C LEU A 100 9.849 2.090 -11.650 1.00 0.00 C ATOM 1370 O LEU A 100 9.794 3.294 -11.407 1.00 0.00 O ATOM 1371 CB LEU A 100 8.740 0.575 -10.009 1.00 0.00 C ATOM 1372 CG LEU A 100 7.781 1.588 -9.370 1.00 0.00 C ATOM 1373 CD1 LEU A 100 6.370 1.034 -9.372 1.00 0.00 C ATOM 1374 CD2 LEU A 100 8.210 1.914 -7.945 1.00 0.00 C ATOM 0 H LEU A 100 10.323 2.109 -8.727 1.00 0.00 H new ATOM 0 HA LEU A 100 10.650 0.257 -10.922 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.218 0.093 -10.836 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.952 -0.199 -9.272 1.00 0.00 H new ATOM 0 HG LEU A 100 7.808 2.507 -9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.694 1.758 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.057 0.840 -10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.343 0.105 -8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.516 2.634 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.208 1.003 -7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.214 2.339 -7.955 1.00 0.00 H new ATOM 1386 N ASN A 101 9.708 1.576 -12.862 1.00 0.00 N ATOM 1387 CA ASN A 101 9.531 2.403 -14.038 1.00 0.00 C ATOM 1388 C ASN A 101 8.362 3.348 -13.865 1.00 0.00 C ATOM 1389 O ASN A 101 7.203 2.932 -13.890 1.00 0.00 O ATOM 1390 CB ASN A 101 9.341 1.533 -15.281 1.00 0.00 C ATOM 1391 CG ASN A 101 9.130 2.350 -16.540 1.00 0.00 C ATOM 1392 OD1 ASN A 101 9.623 3.472 -16.660 1.00 0.00 O ATOM 1393 ND2 ASN A 101 8.390 1.797 -17.482 1.00 0.00 N ATOM 0 H ASN A 101 9.714 0.574 -13.054 1.00 0.00 H new ATOM 0 HA ASN A 101 10.432 3.002 -14.170 1.00 0.00 H new ATOM 0 HB2 ASN A 101 10.215 0.894 -15.409 1.00 0.00 H new ATOM 0 HB3 ASN A 101 8.485 0.875 -15.132 1.00 0.00 H new ATOM 0 HD21 ASN A 101 8.208 2.302 -18.350 1.00 0.00 H new ATOM 0 HD22 ASN A 101 8.000 0.865 -17.343 1.00 0.00 H new ATOM 1400 N ALA A 102 8.672 4.623 -13.688 1.00 0.00 N ATOM 1401 CA ALA A 102 7.664 5.644 -13.484 1.00 0.00 C ATOM 1402 C ALA A 102 6.776 5.782 -14.708 1.00 0.00 C ATOM 1403 O ALA A 102 5.671 6.317 -14.631 1.00 0.00 O ATOM 1404 CB ALA A 102 8.320 6.970 -13.143 1.00 0.00 C ATOM 0 H ALA A 102 9.629 4.976 -13.682 1.00 0.00 H new ATOM 0 HA ALA A 102 7.035 5.343 -12.647 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.551 7.728 -12.992 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.907 6.862 -12.231 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.974 7.274 -13.961 1.00 0.00 H new ATOM 1410 N SER A 103 7.245 5.267 -15.830 1.00 0.00 N ATOM 1411 CA SER A 103 6.491 5.331 -17.050 1.00 0.00 C ATOM 1412 C SER A 103 5.432 4.242 -17.065 1.00 0.00 C ATOM 1413 O SER A 103 4.466 4.322 -17.809 1.00 0.00 O ATOM 1414 CB SER A 103 7.414 5.205 -18.258 1.00 0.00 C ATOM 1415 OG SER A 103 8.408 6.223 -18.246 1.00 0.00 O ATOM 0 H SER A 103 8.148 4.800 -15.913 1.00 0.00 H new ATOM 0 HA SER A 103 5.994 6.300 -17.105 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.891 4.225 -18.255 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.830 5.272 -19.176 1.00 0.00 H new ATOM 0 HG SER A 103 8.989 6.122 -19.028 1.00 0.00 H new ATOM 1421 N ASN A 104 5.601 3.232 -16.209 1.00 0.00 N ATOM 1422 CA ASN A 104 4.638 2.151 -16.137 1.00 0.00 C ATOM 1423 C ASN A 104 3.427 2.609 -15.336 1.00 0.00 C ATOM 1424 O ASN A 104 2.301 2.176 -15.581 1.00 0.00 O ATOM 1425 CB ASN A 104 5.284 0.864 -15.574 1.00 0.00 C ATOM 1426 CG ASN A 104 4.813 0.472 -14.181 1.00 0.00 C ATOM 1427 OD1 ASN A 104 3.794 -0.185 -14.020 1.00 0.00 O ATOM 1428 ND2 ASN A 104 5.576 0.836 -13.179 1.00 0.00 N ATOM 0 H ASN A 104 6.389 3.147 -15.566 1.00 0.00 H new ATOM 0 HA ASN A 104 4.296 1.895 -17.140 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.077 0.041 -16.258 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.366 0.996 -15.553 1.00 0.00 H new ATOM 0 HD21 ASN A 104 5.327 0.571 -12.226 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.419 1.384 -13.352 1.00 0.00 H new ATOM 1435 N ILE A 105 3.663 3.530 -14.401 1.00 0.00 N ATOM 1436 CA ILE A 105 2.568 4.160 -13.664 1.00 0.00 C ATOM 1437 C ILE A 105 1.727 4.975 -14.647 1.00 0.00 C ATOM 1438 O ILE A 105 0.509 5.083 -14.516 1.00 0.00 O ATOM 1439 CB ILE A 105 3.082 5.069 -12.486 1.00 0.00 C ATOM 1440 CG1 ILE A 105 3.524 4.221 -11.283 1.00 0.00 C ATOM 1441 CG2 ILE A 105 2.024 6.075 -12.044 1.00 0.00 C ATOM 1442 CD1 ILE A 105 4.715 3.339 -11.548 1.00 0.00 C ATOM 0 H ILE A 105 4.594 3.854 -14.138 1.00 0.00 H new ATOM 0 HA ILE A 105 1.963 3.378 -13.205 1.00 0.00 H new ATOM 0 HB ILE A 105 3.942 5.620 -12.867 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.757 4.886 -10.451 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.688 3.597 -10.967 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.418 6.683 -11.230 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.761 6.719 -12.883 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.136 5.543 -11.703 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.959 2.776 -10.647 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.482 2.646 -12.357 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.568 3.955 -11.833 1.00 0.00 H new ATOM 1454 N ASP A 106 2.393 5.510 -15.651 1.00 0.00 N ATOM 1455 CA ASP A 106 1.723 6.233 -16.713 1.00 0.00 C ATOM 1456 C ASP A 106 1.017 5.249 -17.647 1.00 0.00 C ATOM 1457 O ASP A 106 -0.048 5.530 -18.164 1.00 0.00 O ATOM 1458 CB ASP A 106 2.737 7.083 -17.497 1.00 0.00 C ATOM 1459 CG ASP A 106 2.163 7.664 -18.780 1.00 0.00 C ATOM 1460 OD1 ASP A 106 1.427 8.671 -18.710 1.00 0.00 O ATOM 1461 OD2 ASP A 106 2.453 7.111 -19.862 1.00 0.00 O ATOM 0 H ASP A 106 3.406 5.457 -15.753 1.00 0.00 H new ATOM 0 HA ASP A 106 0.978 6.898 -16.276 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.088 7.896 -16.862 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.605 6.470 -17.739 1.00 0.00 H new ATOM 1466 N THR A 107 1.603 4.080 -17.814 1.00 0.00 N ATOM 1467 CA THR A 107 1.056 3.074 -18.706 1.00 0.00 C ATOM 1468 C THR A 107 -0.267 2.514 -18.182 1.00 0.00 C ATOM 1469 O THR A 107 -1.305 2.657 -18.820 1.00 0.00 O ATOM 1470 CB THR A 107 2.059 1.920 -18.923 1.00 0.00 C ATOM 1471 OG1 THR A 107 3.261 2.433 -19.511 1.00 0.00 O ATOM 1472 CG2 THR A 107 1.473 0.839 -19.824 1.00 0.00 C ATOM 0 H THR A 107 2.463 3.801 -17.341 1.00 0.00 H new ATOM 0 HA THR A 107 0.868 3.565 -19.661 1.00 0.00 H new ATOM 0 HB THR A 107 2.279 1.474 -17.953 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.666 3.090 -18.907 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.203 0.041 -19.957 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.571 0.433 -19.366 1.00 0.00 H new ATOM 0 HG23 THR A 107 1.225 1.269 -20.794 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.233 1.900 -17.014 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.440 1.290 -16.474 1.00 0.00 C ATOM 1482 C LEU A 108 -1.709 1.729 -15.050 1.00 0.00 C ATOM 1483 O LEU A 108 -2.780 1.465 -14.512 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.356 -0.240 -16.535 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.521 -0.934 -15.434 1.00 0.00 C ATOM 1486 CD1 LEU A 108 -0.734 -2.436 -15.479 1.00 0.00 C ATOM 1487 CD2 LEU A 108 0.964 -0.611 -15.572 1.00 0.00 C ATOM 0 H LEU A 108 0.598 1.809 -16.429 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.269 1.629 -17.096 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.370 -0.638 -16.495 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.942 -0.520 -17.504 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.860 -0.553 -14.471 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.140 -2.911 -14.698 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.789 -2.659 -15.319 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.426 -2.818 -16.452 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.521 -1.115 -14.782 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.322 -0.953 -16.543 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.111 0.466 -15.489 1.00 0.00 H new ATOM 1499 N GLY A 109 -0.749 2.403 -14.451 1.00 0.00 N ATOM 1500 CA GLY A 109 -0.890 2.826 -13.074 1.00 0.00 C ATOM 1501 C GLY A 109 -2.092 3.721 -12.846 1.00 0.00 C ATOM 1502 O GLY A 109 -3.092 3.302 -12.257 1.00 0.00 O ATOM 0 H GLY A 109 0.131 2.668 -14.893 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.974 1.946 -12.437 1.00 0.00 H new ATOM 0 HA3 GLY A 109 0.013 3.355 -12.769 1.00 0.00 H new ATOM 1506 N SER A 110 -2.003 4.939 -13.324 1.00 0.00 N ATOM 1507 CA SER A 110 -3.066 5.908 -13.155 1.00 0.00 C ATOM 1508 C SER A 110 -4.260 5.594 -14.069 1.00 0.00 C ATOM 1509 O SER A 110 -5.339 6.158 -13.910 1.00 0.00 O ATOM 1510 CB SER A 110 -2.528 7.307 -13.443 1.00 0.00 C ATOM 1511 OG SER A 110 -1.304 7.516 -12.755 1.00 0.00 O ATOM 0 H SER A 110 -1.195 5.288 -13.840 1.00 0.00 H new ATOM 0 HA SER A 110 -3.420 5.859 -12.125 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.376 7.432 -14.515 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.258 8.055 -13.135 1.00 0.00 H new ATOM 0 HG SER A 110 -0.969 8.416 -12.950 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.055 4.687 -15.020 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.111 4.314 -15.956 1.00 0.00 C ATOM 1519 C ARG A 111 -5.994 3.193 -15.416 1.00 0.00 C ATOM 1520 O ARG A 111 -7.204 3.360 -15.282 1.00 0.00 O ATOM 1521 CB ARG A 111 -4.532 3.922 -17.327 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.326 5.102 -18.268 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.212 6.018 -17.802 1.00 0.00 C ATOM 1524 NE ARG A 111 -3.383 7.387 -18.319 1.00 0.00 N ATOM 1525 CZ ARG A 111 -2.383 8.238 -18.582 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -1.136 7.842 -18.485 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -2.644 9.474 -18.974 1.00 0.00 N ATOM 0 H ARG A 111 -3.171 4.198 -15.163 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.738 5.197 -16.082 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -3.577 3.418 -17.177 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.201 3.204 -17.801 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.096 4.732 -19.267 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.253 5.670 -18.344 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.190 6.040 -16.712 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.252 5.621 -18.132 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.335 7.711 -18.489 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -0.925 6.883 -18.208 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.377 8.493 -18.686 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.611 9.783 -19.077 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.879 10.118 -19.173 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.385 2.061 -15.093 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.133 0.898 -14.635 1.00 0.00 C ATOM 1543 C VAL A 112 -6.440 0.981 -13.145 1.00 0.00 C ATOM 1544 O VAL A 112 -7.593 0.883 -12.742 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.376 -0.421 -14.935 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.182 -1.628 -14.466 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.069 -0.530 -16.421 1.00 0.00 C ATOM 0 H VAL A 112 -4.375 1.923 -15.139 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.073 0.896 -15.187 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.435 -0.407 -14.386 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -5.631 -2.542 -14.687 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.351 -1.557 -13.392 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.141 -1.649 -14.984 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.537 -1.461 -16.615 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.001 -0.519 -16.987 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.449 0.312 -16.727 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.411 1.179 -12.332 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.602 1.238 -10.885 1.00 0.00 C ATOM 1559 C LEU A 113 -6.266 2.555 -10.495 1.00 0.00 C ATOM 1560 O LEU A 113 -7.038 2.617 -9.539 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.271 1.050 -10.125 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.475 -0.242 -10.419 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -4.400 -1.414 -10.672 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -2.506 -0.052 -11.572 1.00 0.00 C ATOM 0 H LEU A 113 -4.447 1.300 -12.642 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.257 0.415 -10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.629 1.902 -10.349 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.483 1.082 -9.056 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.886 -0.468 -9.530 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.809 -2.307 -10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.022 -1.583 -9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.036 -1.197 -11.530 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.965 -0.981 -11.749 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.059 0.223 -12.470 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.798 0.739 -11.326 1.00 0.00 H new ATOM 1576 N SER A 114 -5.938 3.600 -11.248 1.00 0.00 N ATOM 1577 CA SER A 114 -6.537 4.923 -11.104 1.00 0.00 C ATOM 1578 C SER A 114 -6.544 5.428 -9.643 1.00 0.00 C ATOM 1579 O SER A 114 -5.499 5.824 -9.115 1.00 0.00 O ATOM 1580 CB SER A 114 -7.953 4.932 -11.709 1.00 0.00 C ATOM 1581 OG SER A 114 -8.496 6.240 -11.751 1.00 0.00 O ATOM 0 H SER A 114 -5.237 3.551 -11.988 1.00 0.00 H new ATOM 0 HA SER A 114 -5.911 5.623 -11.657 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.921 4.519 -12.717 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.604 4.286 -11.120 1.00 0.00 H new ATOM 0 HG SER A 114 -9.394 6.209 -12.142 1.00 0.00 H new ATOM 1587 N ALA A 115 -7.722 5.370 -8.994 1.00 0.00 N ATOM 1588 CA ALA A 115 -7.912 5.878 -7.629 1.00 0.00 C ATOM 1589 C ALA A 115 -6.924 5.274 -6.650 1.00 0.00 C ATOM 1590 O ALA A 115 -6.490 5.938 -5.699 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.333 5.623 -7.161 1.00 0.00 C ATOM 0 H ALA A 115 -8.566 4.969 -9.404 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.729 6.952 -7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.457 6.006 -6.148 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.032 6.129 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.533 4.551 -7.171 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.561 4.022 -6.890 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.617 3.330 -6.045 1.00 0.00 C ATOM 1599 C LEU A 116 -4.307 4.098 -5.983 1.00 0.00 C ATOM 1600 O LEU A 116 -3.832 4.443 -4.901 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.386 1.907 -6.562 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.273 1.104 -5.874 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -4.527 0.986 -4.381 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.151 -0.274 -6.501 1.00 0.00 C ATOM 0 H LEU A 116 -6.913 3.467 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.027 3.267 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.319 1.352 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.159 1.963 -7.627 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.334 1.638 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.723 0.412 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.563 1.981 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.477 0.479 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.358 -0.832 -6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.095 -0.809 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.913 -0.172 -7.560 1.00 0.00 H new ATOM 1616 N LEU A 117 -3.746 4.408 -7.145 1.00 0.00 N ATOM 1617 CA LEU A 117 -2.487 5.122 -7.191 1.00 0.00 C ATOM 1618 C LEU A 117 -2.674 6.607 -6.941 1.00 0.00 C ATOM 1619 O LEU A 117 -1.747 7.282 -6.509 1.00 0.00 O ATOM 1620 CB LEU A 117 -1.737 4.874 -8.498 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.258 3.435 -8.723 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -0.257 3.382 -9.857 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.653 2.852 -7.449 1.00 0.00 C ATOM 0 H LEU A 117 -4.142 4.177 -8.056 1.00 0.00 H new ATOM 0 HA LEU A 117 -1.872 4.726 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.385 5.156 -9.328 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -0.871 5.536 -8.531 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.123 2.830 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.073 2.353 -10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.724 3.747 -10.772 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.602 4.007 -9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.322 1.831 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 117 0.198 3.458 -7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.403 2.850 -6.658 1.00 0.00 H new ATOM 1635 N ASN A 118 -3.876 7.118 -7.201 1.00 0.00 N ATOM 1636 CA ASN A 118 -4.170 8.526 -6.922 1.00 0.00 C ATOM 1637 C ASN A 118 -3.989 8.799 -5.439 1.00 0.00 C ATOM 1638 O ASN A 118 -3.364 9.785 -5.044 1.00 0.00 O ATOM 1639 CB ASN A 118 -5.601 8.903 -7.342 1.00 0.00 C ATOM 1640 CG ASN A 118 -5.841 8.848 -8.844 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -6.963 8.627 -9.293 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -4.796 9.047 -9.631 1.00 0.00 N ATOM 0 H ASN A 118 -4.653 6.589 -7.598 1.00 0.00 H new ATOM 0 HA ASN A 118 -3.478 9.134 -7.504 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -6.303 8.231 -6.848 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -5.820 9.910 -6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -4.908 9.019 -10.644 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.878 9.228 -9.224 1.00 0.00 H new ATOM 1649 N GLY A 119 -4.526 7.899 -4.622 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.387 8.024 -3.189 1.00 0.00 C ATOM 1651 C GLY A 119 -2.988 7.672 -2.728 1.00 0.00 C ATOM 1652 O GLY A 119 -2.511 8.184 -1.722 1.00 0.00 O ATOM 0 H GLY A 119 -5.056 7.084 -4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.623 9.045 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.107 7.372 -2.695 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.334 6.783 -3.458 1.00 0.00 N ATOM 1657 CA VAL A 120 -0.967 6.386 -3.134 1.00 0.00 C ATOM 1658 C VAL A 120 0.015 7.528 -3.389 1.00 0.00 C ATOM 1659 O VAL A 120 0.867 7.821 -2.547 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.524 5.144 -3.947 1.00 0.00 C ATOM 1661 CG1 VAL A 120 0.976 4.945 -3.851 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -1.254 3.894 -3.472 1.00 0.00 C ATOM 0 H VAL A 120 -2.725 6.321 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.958 6.133 -2.074 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.784 5.318 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.264 4.067 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.486 5.824 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 120 1.258 4.801 -2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.926 3.036 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.031 3.721 -2.419 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.328 4.030 -3.598 1.00 0.00 H new ATOM 1672 N SER A 121 -0.123 8.166 -4.538 1.00 0.00 N ATOM 1673 CA SER A 121 0.757 9.249 -4.941 1.00 0.00 C ATOM 1674 C SER A 121 0.744 10.388 -3.924 1.00 0.00 C ATOM 1675 O SER A 121 1.779 10.973 -3.627 1.00 0.00 O ATOM 1676 CB SER A 121 0.348 9.766 -6.324 1.00 0.00 C ATOM 1677 OG SER A 121 1.243 10.768 -6.791 1.00 0.00 O ATOM 0 H SER A 121 -0.850 7.947 -5.219 1.00 0.00 H new ATOM 0 HA SER A 121 1.774 8.859 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.326 8.937 -7.032 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.662 10.172 -6.278 1.00 0.00 H new ATOM 0 HG SER A 121 0.956 11.076 -7.676 1.00 0.00 H new ATOM 1683 N SER A 122 -0.421 10.684 -3.387 1.00 0.00 N ATOM 1684 CA SER A 122 -0.555 11.757 -2.430 1.00 0.00 C ATOM 1685 C SER A 122 -0.125 11.323 -1.024 1.00 0.00 C ATOM 1686 O SER A 122 0.529 12.077 -0.302 1.00 0.00 O ATOM 1687 CB SER A 122 -2.000 12.261 -2.428 1.00 0.00 C ATOM 1688 OG SER A 122 -2.915 11.170 -2.409 1.00 0.00 O ATOM 0 H SER A 122 -1.290 10.194 -3.599 1.00 0.00 H new ATOM 0 HA SER A 122 0.110 12.568 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 122 -2.167 12.897 -1.559 1.00 0.00 H new ATOM 0 HB3 SER A 122 -2.177 12.875 -3.311 1.00 0.00 H new ATOM 0 HG SER A 122 -3.102 10.884 -3.327 1.00 0.00 H new ATOM 1694 N ALA A 123 -0.482 10.109 -0.647 1.00 0.00 N ATOM 1695 CA ALA A 123 -0.180 9.610 0.683 1.00 0.00 C ATOM 1696 C ALA A 123 1.233 9.023 0.794 1.00 0.00 C ATOM 1697 O ALA A 123 2.107 9.604 1.434 1.00 0.00 O ATOM 1698 CB ALA A 123 -1.217 8.583 1.101 1.00 0.00 C ATOM 0 H ALA A 123 -0.982 9.449 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.216 10.463 1.360 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.982 8.214 2.100 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.204 9.045 1.107 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -1.210 7.751 0.396 1.00 0.00 H new ATOM 1704 N ALA A 124 1.450 7.880 0.161 1.00 0.00 N ATOM 1705 CA ALA A 124 2.715 7.155 0.285 1.00 0.00 C ATOM 1706 C ALA A 124 3.849 7.827 -0.465 1.00 0.00 C ATOM 1707 O ALA A 124 4.907 8.064 0.098 1.00 0.00 O ATOM 1708 CB ALA A 124 2.557 5.719 -0.188 1.00 0.00 C ATOM 0 H ALA A 124 0.766 7.429 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 124 2.977 7.162 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.508 5.196 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.802 5.217 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.247 5.712 -1.233 1.00 0.00 H new ATOM 1714 N GLN A 125 3.626 8.133 -1.723 1.00 0.00 N ATOM 1715 CA GLN A 125 4.660 8.730 -2.547 1.00 0.00 C ATOM 1716 C GLN A 125 4.940 10.166 -2.099 1.00 0.00 C ATOM 1717 O GLN A 125 6.083 10.622 -2.117 1.00 0.00 O ATOM 1718 CB GLN A 125 4.241 8.677 -4.029 1.00 0.00 C ATOM 1719 CG GLN A 125 5.373 8.929 -5.028 1.00 0.00 C ATOM 1720 CD GLN A 125 5.703 10.399 -5.210 1.00 0.00 C ATOM 1721 OE1 GLN A 125 4.832 11.266 -5.104 1.00 0.00 O ATOM 1722 NE2 GLN A 125 6.959 10.689 -5.478 1.00 0.00 N ATOM 0 H GLN A 125 2.738 7.979 -2.201 1.00 0.00 H new ATOM 0 HA GLN A 125 5.583 8.163 -2.431 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.806 7.699 -4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.457 9.416 -4.197 1.00 0.00 H new ATOM 0 HG2 GLN A 125 6.267 8.403 -4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 125 5.096 8.505 -5.993 1.00 0.00 H new ATOM 0 HE21 GLN A 125 7.649 9.942 -5.557 1.00 0.00 H new ATOM 0 HE22 GLN A 125 7.242 11.661 -5.606 1.00 0.00 H new ATOM 1731 N GLY A 126 3.896 10.850 -1.665 1.00 0.00 N ATOM 1732 CA GLY A 126 4.031 12.233 -1.268 1.00 0.00 C ATOM 1733 C GLY A 126 4.589 12.426 0.132 1.00 0.00 C ATOM 1734 O GLY A 126 5.612 13.081 0.307 1.00 0.00 O ATOM 0 H GLY A 126 2.953 10.470 -1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.681 12.742 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.055 12.714 -1.328 1.00 0.00 H new ATOM 1738 N LEU A 127 3.938 11.845 1.126 1.00 0.00 N ATOM 1739 CA LEU A 127 4.329 12.071 2.516 1.00 0.00 C ATOM 1740 C LEU A 127 5.180 10.937 3.068 1.00 0.00 C ATOM 1741 O LEU A 127 5.944 11.128 4.014 1.00 0.00 O ATOM 1742 CB LEU A 127 3.085 12.253 3.390 1.00 0.00 C ATOM 1743 CG LEU A 127 2.120 13.365 2.959 1.00 0.00 C ATOM 1744 CD1 LEU A 127 0.913 13.408 3.883 1.00 0.00 C ATOM 1745 CD2 LEU A 127 2.827 14.718 2.938 1.00 0.00 C ATOM 0 H LEU A 127 3.143 11.218 1.003 1.00 0.00 H new ATOM 0 HA LEU A 127 4.933 12.978 2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 127 2.537 11.311 3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 127 3.408 12.455 4.411 1.00 0.00 H new ATOM 0 HG LEU A 127 1.775 13.146 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 127 0.238 14.202 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.391 12.452 3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 127 1.243 13.601 4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.124 15.491 2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 127 3.204 14.947 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 127 3.659 14.683 2.235 1.00 0.00 H new ATOM 1757 N GLY A 128 5.055 9.768 2.477 1.00 0.00 N ATOM 1758 CA GLY A 128 5.780 8.622 2.972 1.00 0.00 C ATOM 1759 C GLY A 128 5.079 8.011 4.166 1.00 0.00 C ATOM 1760 O GLY A 128 5.483 8.218 5.312 1.00 0.00 O ATOM 0 H GLY A 128 4.466 9.589 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.875 7.878 2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.790 8.920 3.252 1.00 0.00 H new ATOM 1764 N ILE A 129 4.022 7.266 3.892 1.00 0.00 N ATOM 1765 CA ILE A 129 3.203 6.676 4.939 1.00 0.00 C ATOM 1766 C ILE A 129 3.933 5.580 5.711 1.00 0.00 C ATOM 1767 O ILE A 129 4.550 4.686 5.128 1.00 0.00 O ATOM 1768 CB ILE A 129 1.881 6.092 4.378 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.006 7.183 3.755 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.117 5.367 5.462 1.00 0.00 C ATOM 1771 CD1 ILE A 129 0.705 8.343 4.685 1.00 0.00 C ATOM 0 H ILE A 129 3.708 7.054 2.945 1.00 0.00 H new ATOM 0 HA ILE A 129 2.979 7.494 5.623 1.00 0.00 H new ATOM 0 HB ILE A 129 2.143 5.381 3.594 1.00 0.00 H new ATOM 0 HG12 ILE A 129 1.502 7.566 2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 129 0.065 6.738 3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.192 4.964 5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.725 4.551 5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.882 6.062 6.268 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.081 9.072 4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.180 7.976 5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 129 1.638 8.816 4.990 1.00 0.00 H new ATOM 1783 N ASN A 130 3.835 5.663 7.021 1.00 0.00 N ATOM 1784 CA ASN A 130 4.391 4.676 7.920 1.00 0.00 C ATOM 1785 C ASN A 130 3.320 4.323 8.946 1.00 0.00 C ATOM 1786 O ASN A 130 2.573 5.203 9.391 1.00 0.00 O ATOM 1787 CB ASN A 130 5.638 5.234 8.620 1.00 0.00 C ATOM 1788 CG ASN A 130 6.495 4.155 9.276 1.00 0.00 C ATOM 1789 OD1 ASN A 130 6.002 3.109 9.694 1.00 0.00 O ATOM 1790 ND2 ASN A 130 7.788 4.405 9.359 1.00 0.00 N ATOM 0 H ASN A 130 3.360 6.430 7.497 1.00 0.00 H new ATOM 0 HA ASN A 130 4.691 3.787 7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 130 6.242 5.776 7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 130 5.329 5.954 9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 130 8.414 3.719 9.781 1.00 0.00 H new ATOM 0 HD22 ASN A 130 8.161 5.284 9.001 1.00 0.00 H new ATOM 1797 N VAL A 131 3.216 3.059 9.300 1.00 0.00 N ATOM 1798 CA VAL A 131 2.199 2.627 10.231 1.00 0.00 C ATOM 1799 C VAL A 131 2.780 2.391 11.613 1.00 0.00 C ATOM 1800 O VAL A 131 3.604 1.494 11.819 1.00 0.00 O ATOM 1801 CB VAL A 131 1.490 1.350 9.767 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.308 1.031 10.666 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.052 1.465 8.319 1.00 0.00 C ATOM 0 H VAL A 131 3.823 2.315 8.957 1.00 0.00 H new ATOM 0 HA VAL A 131 1.468 3.435 10.274 1.00 0.00 H new ATOM 0 HB VAL A 131 2.201 0.527 9.837 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.179 0.121 10.317 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.657 0.887 11.688 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.403 1.857 10.639 1.00 0.00 H new ATOM 0 HG21 VAL A 131 0.552 0.545 8.016 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.364 2.304 8.212 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.925 1.629 7.687 1.00 0.00 H new ATOM 1813 N ASP A 132 2.323 3.177 12.544 1.00 0.00 N ATOM 1814 CA ASP A 132 2.768 3.102 13.931 1.00 0.00 C ATOM 1815 C ASP A 132 1.791 2.295 14.754 1.00 0.00 C ATOM 1816 O ASP A 132 1.460 2.661 15.885 1.00 0.00 O ATOM 1817 CB ASP A 132 2.893 4.497 14.530 1.00 0.00 C ATOM 1818 CG ASP A 132 4.073 5.278 13.996 1.00 0.00 C ATOM 1819 OD1 ASP A 132 4.027 5.714 12.834 1.00 0.00 O ATOM 1820 OD2 ASP A 132 5.055 5.470 14.754 1.00 0.00 O ATOM 0 H ASP A 132 1.624 3.900 12.374 1.00 0.00 H new ATOM 0 HA ASP A 132 3.744 2.616 13.946 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.978 5.054 14.329 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.983 4.412 15.613 1.00 0.00 H new ATOM 1825 N SER A 133 1.346 1.186 14.202 1.00 0.00 N ATOM 1826 CA SER A 133 0.390 0.326 14.872 1.00 0.00 C ATOM 1827 C SER A 133 1.060 -0.478 15.979 1.00 0.00 C ATOM 1828 O SER A 133 0.405 -1.208 16.714 1.00 0.00 O ATOM 1829 CB SER A 133 -0.242 -0.620 13.863 1.00 0.00 C ATOM 1830 OG SER A 133 0.760 -1.337 13.149 1.00 0.00 O ATOM 0 H SER A 133 1.634 0.855 13.281 1.00 0.00 H new ATOM 0 HA SER A 133 -0.380 0.953 15.321 1.00 0.00 H new ATOM 0 HB2 SER A 133 -0.901 -1.320 14.377 1.00 0.00 H new ATOM 0 HB3 SER A 133 -0.859 -0.055 13.165 1.00 0.00 H new ATOM 0 HG SER A 133 0.787 -2.264 13.465 1.00 0.00 H new ATOM 1836 N GLY A 134 2.371 -0.348 16.078 1.00 0.00 N ATOM 1837 CA GLY A 134 3.108 -1.094 17.060 1.00 0.00 C ATOM 1838 C GLY A 134 3.664 -2.360 16.471 1.00 0.00 C ATOM 1839 O GLY A 134 4.575 -2.969 17.023 1.00 0.00 O ATOM 0 H GLY A 134 2.937 0.265 15.491 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.922 -0.483 17.451 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.458 -1.335 17.901 1.00 0.00 H new ATOM 1843 N SER A 135 3.110 -2.753 15.344 1.00 0.00 N ATOM 1844 CA SER A 135 3.518 -3.969 14.673 1.00 0.00 C ATOM 1845 C SER A 135 4.324 -3.687 13.399 1.00 0.00 C ATOM 1846 O SER A 135 5.462 -4.128 13.269 1.00 0.00 O ATOM 1847 CB SER A 135 2.289 -4.813 14.349 1.00 0.00 C ATOM 1848 OG SER A 135 1.305 -4.040 13.667 1.00 0.00 O ATOM 0 H SER A 135 2.367 -2.241 14.868 1.00 0.00 H new ATOM 0 HA SER A 135 4.173 -4.518 15.349 1.00 0.00 H new ATOM 0 HB2 SER A 135 2.580 -5.664 13.733 1.00 0.00 H new ATOM 0 HB3 SER A 135 1.867 -5.216 15.270 1.00 0.00 H new ATOM 0 HG SER A 135 0.680 -4.638 13.207 1.00 0.00 H new ATOM 1854 N VAL A 136 3.724 -2.923 12.478 1.00 0.00 N ATOM 1855 CA VAL A 136 4.312 -2.663 11.160 1.00 0.00 C ATOM 1856 C VAL A 136 5.710 -2.061 11.254 1.00 0.00 C ATOM 1857 O VAL A 136 6.688 -2.672 10.816 1.00 0.00 O ATOM 1858 CB VAL A 136 3.407 -1.732 10.318 1.00 0.00 C ATOM 1859 CG1 VAL A 136 3.992 -1.521 8.926 1.00 0.00 C ATOM 1860 CG2 VAL A 136 2.000 -2.302 10.224 1.00 0.00 C ATOM 0 H VAL A 136 2.822 -2.470 12.625 1.00 0.00 H new ATOM 0 HA VAL A 136 4.394 -3.632 10.668 1.00 0.00 H new ATOM 0 HB VAL A 136 3.357 -0.764 10.816 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.339 -0.863 8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.979 -1.067 9.011 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.077 -2.481 8.418 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.376 -1.635 9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.036 -3.284 9.751 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.578 -2.396 11.225 1.00 0.00 H new ATOM 1870 N GLN A 137 5.798 -0.873 11.835 1.00 0.00 N ATOM 1871 CA GLN A 137 7.069 -0.176 11.972 1.00 0.00 C ATOM 1872 C GLN A 137 8.072 -1.003 12.765 1.00 0.00 C ATOM 1873 O GLN A 137 9.248 -1.053 12.426 1.00 0.00 O ATOM 1874 CB GLN A 137 6.853 1.162 12.644 1.00 0.00 C ATOM 1875 CG GLN A 137 8.113 1.987 12.822 1.00 0.00 C ATOM 1876 CD GLN A 137 7.833 3.307 13.500 1.00 0.00 C ATOM 1877 OE1 GLN A 137 6.812 3.333 14.336 1.00 0.00 O flip ATOM 1878 NE2 GLN A 137 8.528 4.298 13.272 1.00 0.00 N flip ATOM 0 H GLN A 137 4.999 -0.369 12.221 1.00 0.00 H new ATOM 0 HA GLN A 137 7.478 -0.019 10.974 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.137 1.738 12.057 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.402 0.995 13.622 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.836 1.423 13.411 1.00 0.00 H new ATOM 0 HG3 GLN A 137 8.568 2.169 11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.308 4.234 12.618 1.00 0.00 H new ATOM 0 HE22 GLN A 137 8.323 5.182 13.737 1.00 0.00 H new ATOM 1887 N SER A 138 7.598 -1.649 13.811 1.00 0.00 N ATOM 1888 CA SER A 138 8.449 -2.471 14.648 1.00 0.00 C ATOM 1889 C SER A 138 9.071 -3.610 13.844 1.00 0.00 C ATOM 1890 O SER A 138 10.287 -3.819 13.886 1.00 0.00 O ATOM 1891 CB SER A 138 7.645 -3.027 15.811 1.00 0.00 C ATOM 1892 OG SER A 138 6.985 -1.983 16.511 1.00 0.00 O ATOM 0 H SER A 138 6.621 -1.620 14.103 1.00 0.00 H new ATOM 0 HA SER A 138 9.257 -1.850 15.034 1.00 0.00 H new ATOM 0 HB2 SER A 138 6.912 -3.744 15.442 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.305 -3.566 16.491 1.00 0.00 H new ATOM 0 HG SER A 138 6.199 -2.344 16.971 1.00 0.00 H new ATOM 1898 N ASP A 139 8.238 -4.325 13.092 1.00 0.00 N ATOM 1899 CA ASP A 139 8.706 -5.452 12.301 1.00 0.00 C ATOM 1900 C ASP A 139 9.684 -4.998 11.248 1.00 0.00 C ATOM 1901 O ASP A 139 10.787 -5.518 11.160 1.00 0.00 O ATOM 1902 CB ASP A 139 7.545 -6.186 11.634 1.00 0.00 C ATOM 1903 CG ASP A 139 7.967 -7.534 11.069 1.00 0.00 C ATOM 1904 OD1 ASP A 139 8.738 -7.566 10.084 1.00 0.00 O ATOM 1905 OD2 ASP A 139 7.534 -8.572 11.618 1.00 0.00 O ATOM 0 H ASP A 139 7.237 -4.142 13.016 1.00 0.00 H new ATOM 0 HA ASP A 139 9.206 -6.139 12.984 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.745 -6.332 12.360 1.00 0.00 H new ATOM 0 HB3 ASP A 139 7.139 -5.569 10.832 1.00 0.00 H new ATOM 1910 N ILE A 140 9.293 -4.005 10.458 1.00 0.00 N ATOM 1911 CA ILE A 140 10.152 -3.525 9.389 1.00 0.00 C ATOM 1912 C ILE A 140 11.466 -2.973 9.934 1.00 0.00 C ATOM 1913 O ILE A 140 12.503 -3.135 9.312 1.00 0.00 O ATOM 1914 CB ILE A 140 9.464 -2.467 8.483 1.00 0.00 C ATOM 1915 CG1 ILE A 140 9.100 -1.212 9.279 1.00 0.00 C ATOM 1916 CG2 ILE A 140 8.228 -3.064 7.816 1.00 0.00 C ATOM 1917 CD1 ILE A 140 8.523 -0.093 8.437 1.00 0.00 C ATOM 0 H ILE A 140 8.397 -3.523 10.537 1.00 0.00 H new ATOM 0 HA ILE A 140 10.363 -4.395 8.767 1.00 0.00 H new ATOM 0 HB ILE A 140 10.170 -2.173 7.706 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.379 -1.481 10.051 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.991 -0.846 9.789 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.756 -2.311 7.184 1.00 0.00 H new ATOM 0 HG22 ILE A 140 8.521 -3.918 7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.523 -3.389 8.581 1.00 0.00 H new ATOM 0 HD11 ILE A 140 8.291 0.760 9.075 1.00 0.00 H new ATOM 0 HD12 ILE A 140 9.250 0.206 7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.612 -0.438 7.948 1.00 0.00 H new ATOM 1929 N SER A 141 11.421 -2.346 11.106 1.00 0.00 N ATOM 1930 CA SER A 141 12.622 -1.794 11.713 1.00 0.00 C ATOM 1931 C SER A 141 13.584 -2.913 12.146 1.00 0.00 C ATOM 1932 O SER A 141 14.793 -2.822 11.936 1.00 0.00 O ATOM 1933 CB SER A 141 12.264 -0.901 12.911 1.00 0.00 C ATOM 1934 OG SER A 141 13.399 -0.194 13.386 1.00 0.00 O ATOM 0 H SER A 141 10.569 -2.209 11.650 1.00 0.00 H new ATOM 0 HA SER A 141 13.126 -1.183 10.964 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.488 -0.193 12.620 1.00 0.00 H new ATOM 0 HB3 SER A 141 11.853 -1.513 13.713 1.00 0.00 H new ATOM 0 HG SER A 141 13.140 0.367 14.147 1.00 0.00 H new ATOM 1940 N SER A 142 13.039 -3.973 12.729 1.00 0.00 N ATOM 1941 CA SER A 142 13.854 -5.089 13.189 1.00 0.00 C ATOM 1942 C SER A 142 14.287 -5.988 12.022 1.00 0.00 C ATOM 1943 O SER A 142 15.456 -6.360 11.909 1.00 0.00 O ATOM 1944 CB SER A 142 13.083 -5.913 14.225 1.00 0.00 C ATOM 1945 OG SER A 142 12.639 -5.099 15.301 1.00 0.00 O ATOM 0 H SER A 142 12.038 -4.083 12.894 1.00 0.00 H new ATOM 0 HA SER A 142 14.753 -4.678 13.649 1.00 0.00 H new ATOM 0 HB2 SER A 142 12.226 -6.391 13.749 1.00 0.00 H new ATOM 0 HB3 SER A 142 13.721 -6.710 14.607 1.00 0.00 H new ATOM 0 HG SER A 142 11.852 -4.586 15.020 1.00 0.00 H new ATOM 1951 N SER A 143 13.344 -6.311 11.156 1.00 0.00 N ATOM 1952 CA SER A 143 13.589 -7.206 10.039 1.00 0.00 C ATOM 1953 C SER A 143 14.566 -6.618 9.011 1.00 0.00 C ATOM 1954 O SER A 143 15.416 -7.337 8.488 1.00 0.00 O ATOM 1955 CB SER A 143 12.266 -7.572 9.367 1.00 0.00 C ATOM 1956 OG SER A 143 11.387 -8.205 10.287 1.00 0.00 O ATOM 0 H SER A 143 12.387 -5.961 11.207 1.00 0.00 H new ATOM 0 HA SER A 143 14.059 -8.104 10.441 1.00 0.00 H new ATOM 0 HB2 SER A 143 11.795 -6.673 8.968 1.00 0.00 H new ATOM 0 HB3 SER A 143 12.454 -8.235 8.523 1.00 0.00 H new ATOM 0 HG SER A 143 10.490 -7.821 10.199 1.00 0.00 H new ATOM 1962 N SER A 144 14.463 -5.312 8.746 1.00 0.00 N ATOM 1963 CA SER A 144 15.312 -4.662 7.737 1.00 0.00 C ATOM 1964 C SER A 144 16.798 -4.833 8.037 1.00 0.00 C ATOM 1965 O SER A 144 17.613 -4.834 7.127 1.00 0.00 O ATOM 1966 CB SER A 144 14.970 -3.178 7.611 1.00 0.00 C ATOM 1967 OG SER A 144 15.028 -2.536 8.873 1.00 0.00 O ATOM 0 H SER A 144 13.806 -4.686 9.211 1.00 0.00 H new ATOM 0 HA SER A 144 15.107 -5.157 6.787 1.00 0.00 H new ATOM 0 HB2 SER A 144 15.665 -2.698 6.922 1.00 0.00 H new ATOM 0 HB3 SER A 144 13.972 -3.066 7.187 1.00 0.00 H new ATOM 0 HG SER A 144 14.133 -2.515 9.271 1.00 0.00 H new