USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 423 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 26 GLN :FLIP amide:sc= -2.3! C(o=-6.4!,f=-2.1!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= 0.203 F(o=-5.2!,f=-2.1) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.22 K(o=0.15,f=-1.4!) USER MOD Set 2.2: A 52 ASN :FLIP amide:sc= -0.0712 F(o=-5.1!,f=0.15) USER MOD Single : A 7 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.14) USER MOD Single : A 9 MET CE :methyl -155:sc= -0.572 (180deg=-2.94!) USER MOD Single : A 11 ASN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.7) USER MOD Single : A 24 ASN : amide:sc= -0.413 K(o=-0.41,f=-3.3) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.162 F(o=-1.2,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ -140:sc= 0.64 (180deg=-0.877!) USER MOD Single : A 33 SER OG : rot 74:sc= 1.26 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.098) USER MOD Single : A 41 SER OG : rot 96:sc= -0.117 USER MOD Single : A 43 ASN :FLIP amide:sc= -1.98 F(o=-3.7!,f=-2) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0.623 (180deg=0.554) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.369 13.181 -0.786 1.00 0.00 N ATOM 100 CA LYS A 7 -1.326 12.897 -1.862 1.00 0.00 C ATOM 101 C LYS A 7 -1.124 11.473 -2.393 1.00 0.00 C ATOM 102 O LYS A 7 -2.085 10.701 -2.531 1.00 0.00 O ATOM 103 CB LYS A 7 -1.139 13.916 -3.001 1.00 0.00 C ATOM 104 CG LYS A 7 -2.242 13.754 -4.065 1.00 0.00 C ATOM 105 CD LYS A 7 -3.561 14.359 -3.558 1.00 0.00 C ATOM 106 CE LYS A 7 -4.612 14.337 -4.677 1.00 0.00 C ATOM 107 NZ LYS A 7 -4.296 15.394 -5.681 1.00 0.00 N ATOM 0 HA LYS A 7 -2.339 12.979 -1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.162 14.928 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.160 13.779 -3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.940 14.245 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.383 12.698 -4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.922 13.796 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.396 15.383 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.627 13.358 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.605 14.503 -4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.112 15.529 -6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.086 16.287 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.469 15.104 -6.241 1.00 0.00 H new ATOM 121 N GLU A 8 0.136 11.133 -2.673 1.00 0.00 N ATOM 122 CA GLU A 8 0.481 9.804 -3.178 1.00 0.00 C ATOM 123 C GLU A 8 0.107 8.733 -2.153 1.00 0.00 C ATOM 124 O GLU A 8 -0.298 7.626 -2.521 1.00 0.00 O ATOM 125 CB GLU A 8 1.988 9.723 -3.475 1.00 0.00 C ATOM 126 CG GLU A 8 2.371 10.707 -4.600 1.00 0.00 C ATOM 127 CD GLU A 8 3.051 11.954 -4.021 1.00 0.00 C ATOM 128 OE1 GLU A 8 2.399 12.679 -3.286 1.00 0.00 O ATOM 129 OE2 GLU A 8 4.216 12.164 -4.322 1.00 0.00 O ATOM 0 H GLU A 8 0.933 11.759 -2.558 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.077 9.630 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.555 9.954 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.253 8.707 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.041 10.217 -5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.479 10.998 -5.155 1.00 0.00 H new ATOM 136 N MET A 9 0.253 9.075 -0.869 1.00 0.00 N ATOM 137 CA MET A 9 -0.066 8.144 0.214 1.00 0.00 C ATOM 138 C MET A 9 -1.544 7.775 0.174 1.00 0.00 C ATOM 139 O MET A 9 -1.898 6.611 0.361 1.00 0.00 O ATOM 140 CB MET A 9 0.267 8.775 1.574 1.00 0.00 C ATOM 141 CG MET A 9 1.755 9.124 1.634 1.00 0.00 C ATOM 142 SD MET A 9 2.137 9.881 3.233 1.00 0.00 S ATOM 143 CE MET A 9 3.763 10.525 2.776 1.00 0.00 C ATOM 0 H MET A 9 0.589 9.986 -0.557 1.00 0.00 H new ATOM 0 HA MET A 9 0.533 7.243 0.081 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.333 9.673 1.725 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.014 8.083 2.378 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.356 8.225 1.493 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.011 9.809 0.826 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.375 10.637 3.671 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.249 9.832 2.089 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.647 11.495 2.292 1.00 0.00 H new ATOM 153 N ARG A 10 -2.400 8.773 -0.080 1.00 0.00 N ATOM 154 CA ARG A 10 -3.843 8.535 -0.153 1.00 0.00 C ATOM 155 C ARG A 10 -4.155 7.572 -1.299 1.00 0.00 C ATOM 156 O ARG A 10 -4.968 6.653 -1.144 1.00 0.00 O ATOM 157 CB ARG A 10 -4.597 9.861 -0.370 1.00 0.00 C ATOM 158 CG ARG A 10 -4.401 10.787 0.842 1.00 0.00 C ATOM 159 CD ARG A 10 -5.176 12.095 0.633 1.00 0.00 C ATOM 160 NE ARG A 10 -4.667 13.135 1.536 1.00 0.00 N ATOM 161 CZ ARG A 10 -5.326 14.278 1.748 1.00 0.00 C ATOM 162 NH1 ARG A 10 -6.471 14.510 1.166 1.00 0.00 N ATOM 163 NH2 ARG A 10 -4.815 15.172 2.544 1.00 0.00 N ATOM 0 H ARG A 10 -2.121 9.741 -0.236 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.170 8.094 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.234 10.351 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.659 9.664 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.746 10.291 1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.341 11.001 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.079 12.422 -0.402 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.238 11.931 0.817 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.781 12.980 2.017 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.875 13.814 0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.962 15.387 1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.919 14.997 2.999 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.310 16.048 2.712 1.00 0.00 H new ATOM 177 N ASN A 11 -3.495 7.789 -2.444 1.00 0.00 N ATOM 178 CA ASN A 11 -3.706 6.930 -3.611 1.00 0.00 C ATOM 179 C ASN A 11 -3.302 5.483 -3.309 1.00 0.00 C ATOM 180 O ASN A 11 -4.078 4.557 -3.557 1.00 0.00 O ATOM 181 CB ASN A 11 -2.899 7.458 -4.807 1.00 0.00 C ATOM 182 CG ASN A 11 -3.503 8.770 -5.307 1.00 0.00 C ATOM 183 OD1 ASN A 11 -4.602 8.775 -5.862 1.00 0.00 O ATOM 184 ND2 ASN A 11 -2.853 9.888 -5.141 1.00 0.00 N ATOM 0 H ASN A 11 -2.820 8.541 -2.585 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.768 6.946 -3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.861 7.614 -4.515 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.897 6.720 -5.609 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.255 10.765 -5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.942 9.885 -4.681 1.00 0.00 H new ATOM 191 N ALA A 12 -2.093 5.294 -2.767 1.00 0.00 N ATOM 192 CA ALA A 12 -1.611 3.947 -2.435 1.00 0.00 C ATOM 193 C ALA A 12 -2.412 3.347 -1.271 1.00 0.00 C ATOM 194 O ALA A 12 -2.603 2.131 -1.209 1.00 0.00 O ATOM 195 CB ALA A 12 -0.115 3.980 -2.083 1.00 0.00 C ATOM 0 H ALA A 12 -1.438 6.045 -2.551 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.753 3.316 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.224 2.973 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.451 4.358 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.042 4.633 -1.225 1.00 0.00 H new ATOM 201 N TYR A 13 -2.877 4.209 -0.356 1.00 0.00 N ATOM 202 CA TYR A 13 -3.656 3.769 0.812 1.00 0.00 C ATOM 203 C TYR A 13 -4.892 2.969 0.374 1.00 0.00 C ATOM 204 O TYR A 13 -5.081 1.821 0.796 1.00 0.00 O ATOM 205 CB TYR A 13 -4.086 5.013 1.627 1.00 0.00 C ATOM 206 CG TYR A 13 -4.870 4.624 2.875 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.246 4.359 2.784 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.228 4.548 4.119 1.00 0.00 C ATOM 209 CE1 TYR A 13 -6.972 4.016 3.930 1.00 0.00 C ATOM 210 CE2 TYR A 13 -4.958 4.204 5.265 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.329 3.938 5.170 1.00 0.00 C ATOM 212 OH TYR A 13 -7.045 3.601 6.300 1.00 0.00 O ATOM 0 H TYR A 13 -2.727 5.217 -0.402 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.038 3.118 1.430 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.203 5.583 1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.696 5.665 1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.745 4.420 1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.171 4.755 4.194 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.030 3.811 3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.462 4.144 6.223 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.446 3.591 7.076 1.00 0.00 H new ATOM 222 N TRP A 14 -5.728 3.588 -0.463 1.00 0.00 N ATOM 223 CA TRP A 14 -6.947 2.930 -0.936 1.00 0.00 C ATOM 224 C TRP A 14 -6.642 1.761 -1.875 1.00 0.00 C ATOM 225 O TRP A 14 -7.296 0.720 -1.793 1.00 0.00 O ATOM 226 CB TRP A 14 -7.851 3.930 -1.659 1.00 0.00 C ATOM 227 CG TRP A 14 -8.385 4.943 -0.687 1.00 0.00 C ATOM 228 CD1 TRP A 14 -8.057 6.257 -0.670 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.338 4.746 0.399 1.00 0.00 C ATOM 230 NE1 TRP A 14 -8.744 6.876 0.359 1.00 0.00 N ATOM 231 CE2 TRP A 14 -9.546 5.988 1.046 1.00 0.00 C ATOM 232 CE3 TRP A 14 -10.035 3.623 0.882 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -10.413 6.110 2.133 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -10.908 3.743 1.976 1.00 0.00 C ATOM 235 CH2 TRP A 14 -11.096 4.984 2.600 1.00 0.00 C ATOM 0 H TRP A 14 -5.586 4.532 -0.823 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.456 2.538 -0.055 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.292 4.432 -2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -8.677 3.404 -2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -7.371 6.742 -1.349 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.667 7.868 0.583 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.898 2.662 0.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -10.555 7.068 2.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -11.437 2.874 2.338 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.768 5.070 3.441 1.00 0.00 H new ATOM 246 N GLU A 15 -5.667 1.941 -2.776 1.00 0.00 N ATOM 247 CA GLU A 15 -5.315 0.887 -3.736 1.00 0.00 C ATOM 248 C GLU A 15 -4.892 -0.400 -3.024 1.00 0.00 C ATOM 249 O GLU A 15 -5.305 -1.493 -3.420 1.00 0.00 O ATOM 250 CB GLU A 15 -4.190 1.368 -4.663 1.00 0.00 C ATOM 251 CG GLU A 15 -4.744 2.389 -5.668 1.00 0.00 C ATOM 252 CD GLU A 15 -3.617 2.907 -6.563 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.752 3.595 -6.048 1.00 0.00 O ATOM 254 OE2 GLU A 15 -3.633 2.606 -7.747 1.00 0.00 O ATOM 0 H GLU A 15 -5.115 2.794 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.202 0.668 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.390 1.819 -4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.756 0.520 -5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.520 1.927 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.208 3.220 -5.136 1.00 0.00 H new ATOM 261 N ILE A 16 -4.086 -0.270 -1.968 1.00 0.00 N ATOM 262 CA ILE A 16 -3.643 -1.443 -1.212 1.00 0.00 C ATOM 263 C ILE A 16 -4.843 -2.105 -0.530 1.00 0.00 C ATOM 264 O ILE A 16 -5.060 -3.312 -0.673 1.00 0.00 O ATOM 265 CB ILE A 16 -2.587 -1.035 -0.161 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.313 -0.546 -0.879 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.238 -2.240 0.737 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.414 0.213 0.106 1.00 0.00 C ATOM 0 H ILE A 16 -3.731 0.621 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.189 -2.157 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.992 -0.235 0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.773 -1.395 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.582 0.103 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.493 -1.941 1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.137 -2.585 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.838 -3.047 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.483 0.555 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.954 1.073 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.132 -0.448 0.925 1.00 0.00 H new ATOM 280 N ALA A 17 -5.610 -1.299 0.210 1.00 0.00 N ATOM 281 CA ALA A 17 -6.786 -1.799 0.927 1.00 0.00 C ATOM 282 C ALA A 17 -7.792 -2.445 -0.031 1.00 0.00 C ATOM 283 O ALA A 17 -8.503 -3.381 0.349 1.00 0.00 O ATOM 284 CB ALA A 17 -7.462 -0.647 1.678 1.00 0.00 C ATOM 0 H ALA A 17 -5.438 -0.301 0.328 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.452 -2.559 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.336 -1.023 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.760 -0.217 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.772 0.119 0.967 1.00 0.00 H new ATOM 290 N LEU A 18 -7.853 -1.930 -1.262 1.00 0.00 N ATOM 291 CA LEU A 18 -8.781 -2.444 -2.273 1.00 0.00 C ATOM 292 C LEU A 18 -8.515 -3.921 -2.584 1.00 0.00 C ATOM 293 O LEU A 18 -9.458 -4.680 -2.826 1.00 0.00 O ATOM 294 CB LEU A 18 -8.667 -1.610 -3.562 1.00 0.00 C ATOM 295 CG LEU A 18 -9.739 -2.037 -4.585 1.00 0.00 C ATOM 296 CD1 LEU A 18 -11.139 -1.647 -4.081 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.470 -1.340 -5.928 1.00 0.00 C ATOM 0 H LEU A 18 -7.270 -1.157 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.791 -2.362 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.782 -0.552 -3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.674 -1.734 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.695 -3.118 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.887 -1.954 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.335 -2.144 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.188 -0.567 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.227 -1.641 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.508 -0.259 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.484 -1.625 -6.295 1.00 0.00 H new ATOM 309 N LEU A 19 -7.236 -4.324 -2.585 1.00 0.00 N ATOM 310 CA LEU A 19 -6.885 -5.720 -2.883 1.00 0.00 C ATOM 311 C LEU A 19 -7.352 -6.638 -1.741 1.00 0.00 C ATOM 312 O LEU A 19 -6.928 -6.458 -0.598 1.00 0.00 O ATOM 313 CB LEU A 19 -5.362 -5.840 -3.070 1.00 0.00 C ATOM 314 CG LEU A 19 -4.962 -5.685 -4.562 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.786 -4.593 -5.265 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.473 -5.317 -4.654 1.00 0.00 C ATOM 0 H LEU A 19 -6.441 -3.716 -2.387 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.384 -6.027 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.859 -5.077 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.023 -6.807 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.158 -6.635 -5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.475 -4.517 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.844 -4.850 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.623 -3.637 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.189 -5.208 -5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.297 -4.377 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.875 -6.105 -4.196 1.00 0.00 H new ATOM 328 N PRO A 20 -8.226 -7.597 -2.027 1.00 0.00 N ATOM 329 CA PRO A 20 -8.783 -8.545 -1.007 1.00 0.00 C ATOM 330 C PRO A 20 -7.963 -9.825 -0.768 1.00 0.00 C ATOM 331 O PRO A 20 -8.096 -10.444 0.290 1.00 0.00 O ATOM 332 CB PRO A 20 -10.138 -8.901 -1.618 1.00 0.00 C ATOM 333 CG PRO A 20 -9.887 -8.923 -3.092 1.00 0.00 C ATOM 334 CD PRO A 20 -8.794 -7.886 -3.365 1.00 0.00 C ATOM 0 HA PRO A 20 -8.802 -8.083 -0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.493 -9.868 -1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.898 -8.165 -1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.570 -9.914 -3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.796 -8.682 -3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.036 -8.276 -4.044 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.204 -6.987 -3.827 1.00 0.00 H new ATOM 342 N ASN A 21 -7.161 -10.243 -1.756 1.00 0.00 N ATOM 343 CA ASN A 21 -6.385 -11.489 -1.632 1.00 0.00 C ATOM 344 C ASN A 21 -5.106 -11.310 -0.817 1.00 0.00 C ATOM 345 O ASN A 21 -4.431 -12.301 -0.517 1.00 0.00 O ATOM 346 CB ASN A 21 -6.049 -12.066 -3.021 1.00 0.00 C ATOM 347 CG ASN A 21 -5.802 -10.955 -4.038 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.199 -9.930 -3.719 1.00 0.00 O ATOM 349 ND2 ASN A 21 -6.240 -11.101 -5.253 1.00 0.00 N ATOM 0 H ASN A 21 -7.032 -9.747 -2.638 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.018 -12.193 -1.092 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.165 -12.700 -2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.868 -12.699 -3.362 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.084 -10.366 -5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.739 -11.950 -5.516 1.00 0.00 H new ATOM 356 N LEU A 22 -4.779 -10.073 -0.438 1.00 0.00 N ATOM 357 CA LEU A 22 -3.576 -9.849 0.367 1.00 0.00 C ATOM 358 C LEU A 22 -3.812 -10.369 1.772 1.00 0.00 C ATOM 359 O LEU A 22 -4.845 -10.075 2.383 1.00 0.00 O ATOM 360 CB LEU A 22 -3.197 -8.363 0.455 1.00 0.00 C ATOM 361 CG LEU A 22 -3.037 -7.755 -0.940 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.073 -6.224 -0.833 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.696 -8.179 -1.551 1.00 0.00 C ATOM 0 H LEU A 22 -5.312 -9.234 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.757 -10.378 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.965 -7.820 1.006 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.267 -8.254 1.012 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.850 -8.107 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.959 -5.787 -1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.026 -5.911 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.259 -5.885 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.593 -7.740 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.881 -7.833 -0.915 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.659 -9.266 -1.629 1.00 0.00 H new ATOM 375 N ASN A 23 -2.845 -11.140 2.278 1.00 0.00 N ATOM 376 CA ASN A 23 -2.944 -11.709 3.632 1.00 0.00 C ATOM 377 C ASN A 23 -3.264 -10.617 4.664 1.00 0.00 C ATOM 378 O ASN A 23 -2.932 -9.446 4.463 1.00 0.00 O ATOM 379 CB ASN A 23 -1.634 -12.411 4.010 1.00 0.00 C ATOM 380 CG ASN A 23 -1.795 -13.184 5.319 1.00 0.00 C ATOM 381 OD1 ASN A 23 -2.854 -13.757 5.587 1.00 0.00 O ATOM 382 ND2 ASN A 23 -0.800 -13.237 6.157 1.00 0.00 N ATOM 0 H ASN A 23 -1.990 -11.385 1.778 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.755 -12.437 3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.338 -13.093 3.213 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.837 -11.675 4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.897 -13.751 7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.077 -12.764 5.938 1.00 0.00 H new ATOM 389 N ASN A 24 -3.933 -11.013 5.758 1.00 0.00 N ATOM 390 CA ASN A 24 -4.340 -10.074 6.822 1.00 0.00 C ATOM 391 C ASN A 24 -3.174 -9.204 7.309 1.00 0.00 C ATOM 392 O ASN A 24 -3.344 -8.002 7.547 1.00 0.00 O ATOM 393 CB ASN A 24 -4.909 -10.862 8.008 1.00 0.00 C ATOM 394 CG ASN A 24 -5.556 -9.908 9.009 1.00 0.00 C ATOM 395 OD1 ASN A 24 -4.860 -9.248 9.779 1.00 0.00 O ATOM 396 ND2 ASN A 24 -6.855 -9.796 9.045 1.00 0.00 N ATOM 0 H ASN A 24 -4.206 -11.980 5.932 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.096 -9.411 6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.644 -11.585 7.655 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.114 -11.427 8.494 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.294 -9.161 9.712 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.432 -10.343 8.406 1.00 0.00 H new ATOM 403 N GLN A 25 -1.999 -9.818 7.449 1.00 0.00 N ATOM 404 CA GLN A 25 -0.807 -9.098 7.900 1.00 0.00 C ATOM 405 C GLN A 25 -0.249 -8.216 6.783 1.00 0.00 C ATOM 406 O GLN A 25 0.064 -7.051 7.006 1.00 0.00 O ATOM 407 CB GLN A 25 0.279 -10.091 8.341 1.00 0.00 C ATOM 408 CG GLN A 25 -0.215 -10.942 9.519 1.00 0.00 C ATOM 409 CD GLN A 25 -0.517 -10.065 10.736 1.00 0.00 C ATOM 410 OE1 GLN A 25 -1.648 -10.210 11.369 1.00 0.00 O flip ATOM 411 NE2 GLN A 25 0.301 -9.230 11.124 1.00 0.00 N flip ATOM 0 H GLN A 25 -1.847 -10.808 7.258 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.096 -8.469 8.742 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.549 -10.738 7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.180 -9.549 8.629 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.112 -11.488 9.227 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.540 -11.684 9.779 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.186 -9.115 10.630 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.093 -8.653 11.939 1.00 0.00 H new ATOM 420 N GLN A 26 -0.110 -8.800 5.590 1.00 0.00 N ATOM 421 CA GLN A 26 0.445 -8.091 4.428 1.00 0.00 C ATOM 422 C GLN A 26 -0.379 -6.854 4.056 1.00 0.00 C ATOM 423 O GLN A 26 0.183 -5.785 3.784 1.00 0.00 O ATOM 424 CB GLN A 26 0.473 -9.040 3.222 1.00 0.00 C ATOM 425 CG GLN A 26 1.428 -10.215 3.486 1.00 0.00 C ATOM 426 CD GLN A 26 1.361 -11.224 2.337 1.00 0.00 C ATOM 427 OE1 GLN A 26 0.202 -11.536 1.814 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 2.390 -11.741 1.903 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.375 -9.767 5.400 1.00 0.00 H new ATOM 0 HA GLN A 26 1.450 -7.763 4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.531 -9.416 3.024 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.791 -8.498 2.332 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.448 -9.846 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.163 -10.704 4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.293 -11.498 2.310 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.339 -12.412 1.136 1.00 0.00 H new ATOM 437 N LYS A 27 -1.704 -7.021 4.023 1.00 0.00 N ATOM 438 CA LYS A 27 -2.617 -5.934 3.650 1.00 0.00 C ATOM 439 C LYS A 27 -2.420 -4.711 4.547 1.00 0.00 C ATOM 440 O LYS A 27 -2.329 -3.580 4.062 1.00 0.00 O ATOM 441 CB LYS A 27 -4.068 -6.433 3.769 1.00 0.00 C ATOM 442 CG LYS A 27 -5.021 -5.528 2.964 1.00 0.00 C ATOM 443 CD LYS A 27 -6.484 -5.742 3.412 1.00 0.00 C ATOM 444 CE LYS A 27 -6.917 -7.214 3.249 1.00 0.00 C ATOM 445 NZ LYS A 27 -6.560 -7.718 1.888 1.00 0.00 N ATOM 0 H LYS A 27 -2.170 -7.899 4.250 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.402 -5.637 2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.137 -7.458 3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.369 -6.446 4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.742 -4.483 3.102 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.925 -5.746 1.900 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.594 -5.443 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.142 -5.101 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.433 -7.828 4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.992 -7.302 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.330 -8.316 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.417 -6.912 1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.684 -8.277 1.943 1.00 0.00 H new ATOM 459 N ARG A 28 -2.366 -4.956 5.856 1.00 0.00 N ATOM 460 CA ARG A 28 -2.192 -3.887 6.844 1.00 0.00 C ATOM 461 C ARG A 28 -0.727 -3.443 6.954 1.00 0.00 C ATOM 462 O ARG A 28 -0.448 -2.282 7.260 1.00 0.00 O ATOM 463 CB ARG A 28 -2.680 -4.381 8.216 1.00 0.00 C ATOM 464 CG ARG A 28 -4.188 -4.687 8.159 1.00 0.00 C ATOM 465 CD ARG A 28 -4.686 -5.128 9.541 1.00 0.00 C ATOM 466 NE ARG A 28 -4.034 -6.380 9.948 1.00 0.00 N ATOM 467 CZ ARG A 28 -3.874 -6.713 11.235 1.00 0.00 C ATOM 468 NH1 ARG A 28 -4.319 -5.939 12.188 1.00 0.00 N ATOM 469 NH2 ARG A 28 -3.280 -7.830 11.542 1.00 0.00 N ATOM 0 H ARG A 28 -2.440 -5.890 6.260 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.777 -3.028 6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.130 -5.276 8.506 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.482 -3.625 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.735 -3.803 7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.381 -5.471 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.479 -4.348 10.274 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.767 -5.265 9.518 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.692 -7.016 9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.796 -5.068 11.956 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.190 -6.206 13.164 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.939 -8.446 10.804 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.155 -8.089 12.521 1.00 0.00 H new ATOM 483 N ALA A 29 0.195 -4.388 6.743 1.00 0.00 N ATOM 484 CA ALA A 29 1.632 -4.113 6.864 1.00 0.00 C ATOM 485 C ALA A 29 2.112 -3.021 5.906 1.00 0.00 C ATOM 486 O ALA A 29 2.875 -2.143 6.318 1.00 0.00 O ATOM 487 CB ALA A 29 2.430 -5.400 6.615 1.00 0.00 C ATOM 0 H ALA A 29 -0.027 -5.350 6.488 1.00 0.00 H new ATOM 0 HA ALA A 29 1.801 -3.750 7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.496 -5.191 6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.144 -6.153 7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.218 -5.772 5.613 1.00 0.00 H new ATOM 493 N PHE A 30 1.698 -3.080 4.632 1.00 0.00 N ATOM 494 CA PHE A 30 2.148 -2.078 3.652 1.00 0.00 C ATOM 495 C PHE A 30 1.758 -0.657 4.063 1.00 0.00 C ATOM 496 O PHE A 30 2.629 0.202 4.208 1.00 0.00 O ATOM 497 CB PHE A 30 1.581 -2.387 2.260 1.00 0.00 C ATOM 498 CG PHE A 30 2.334 -3.557 1.657 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.696 -3.423 1.353 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.677 -4.766 1.402 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.400 -4.495 0.798 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.383 -5.839 0.846 1.00 0.00 C ATOM 503 CZ PHE A 30 3.746 -5.703 0.545 1.00 0.00 C ATOM 0 H PHE A 30 1.068 -3.791 4.261 1.00 0.00 H new ATOM 0 HA PHE A 30 3.236 -2.133 3.620 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.519 -2.622 2.332 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.671 -1.512 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.202 -2.489 1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.627 -4.871 1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.449 -4.390 0.565 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.878 -6.773 0.649 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.290 -6.532 0.118 1.00 0.00 H new ATOM 513 N ILE A 31 0.454 -0.412 4.237 1.00 0.00 N ATOM 514 CA ILE A 31 -0.042 0.919 4.618 1.00 0.00 C ATOM 515 C ILE A 31 0.636 1.429 5.904 1.00 0.00 C ATOM 516 O ILE A 31 1.071 2.584 5.954 1.00 0.00 O ATOM 517 CB ILE A 31 -1.581 0.891 4.780 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.233 0.574 3.404 1.00 0.00 C ATOM 519 CG2 ILE A 31 -2.078 2.255 5.297 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.772 0.555 3.498 1.00 0.00 C ATOM 0 H ILE A 31 -0.276 -1.115 4.121 1.00 0.00 H new ATOM 0 HA ILE A 31 0.213 1.615 3.819 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.859 0.121 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.921 1.319 2.672 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.877 -0.392 3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.162 2.229 5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.619 2.468 6.262 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.805 3.035 4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.194 0.330 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.084 -0.208 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.128 1.530 3.831 1.00 0.00 H new ATOM 532 N ARG A 32 0.734 0.574 6.931 1.00 0.00 N ATOM 533 CA ARG A 32 1.377 0.975 8.191 1.00 0.00 C ATOM 534 C ARG A 32 2.856 1.310 7.958 1.00 0.00 C ATOM 535 O ARG A 32 3.348 2.355 8.408 1.00 0.00 O ATOM 536 CB ARG A 32 1.255 -0.146 9.233 1.00 0.00 C ATOM 537 CG ARG A 32 -0.209 -0.278 9.690 1.00 0.00 C ATOM 538 CD ARG A 32 -0.331 -1.395 10.734 1.00 0.00 C ATOM 539 NE ARG A 32 0.347 -1.005 11.974 1.00 0.00 N ATOM 540 CZ ARG A 32 0.376 -1.799 13.048 1.00 0.00 C ATOM 541 NH1 ARG A 32 -0.207 -2.968 13.030 1.00 0.00 N ATOM 542 NH2 ARG A 32 0.992 -1.405 14.124 1.00 0.00 N ATOM 0 H ARG A 32 0.383 -0.384 6.917 1.00 0.00 H new ATOM 0 HA ARG A 32 0.870 1.864 8.565 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.599 -1.089 8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.894 0.070 10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.554 0.666 10.112 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.848 -0.497 8.834 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.382 -1.602 10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.106 -2.315 10.346 1.00 0.00 H new ATOM 0 HE ARG A 32 0.812 -0.098 12.018 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.691 -3.284 12.190 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.178 -3.565 13.856 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.450 -0.494 14.145 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.017 -2.007 14.947 1.00 0.00 H new ATOM 556 N SER A 33 3.550 0.425 7.233 1.00 0.00 N ATOM 557 CA SER A 33 4.965 0.636 6.918 1.00 0.00 C ATOM 558 C SER A 33 5.133 1.914 6.102 1.00 0.00 C ATOM 559 O SER A 33 6.163 2.586 6.190 1.00 0.00 O ATOM 560 CB SER A 33 5.526 -0.557 6.136 1.00 0.00 C ATOM 561 OG SER A 33 5.447 -1.727 6.942 1.00 0.00 O ATOM 0 H SER A 33 3.157 -0.438 6.856 1.00 0.00 H new ATOM 0 HA SER A 33 5.517 0.731 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.963 -0.699 5.213 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.561 -0.366 5.852 1.00 0.00 H new ATOM 0 HG SER A 33 4.516 -2.029 6.990 1.00 0.00 H new ATOM 567 N LEU A 34 4.104 2.236 5.308 1.00 0.00 N ATOM 568 CA LEU A 34 4.110 3.434 4.466 1.00 0.00 C ATOM 569 C LEU A 34 4.273 4.683 5.332 1.00 0.00 C ATOM 570 O LEU A 34 5.072 5.567 5.019 1.00 0.00 O ATOM 571 CB LEU A 34 2.783 3.508 3.685 1.00 0.00 C ATOM 572 CG LEU A 34 3.003 4.084 2.271 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.099 3.340 1.268 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.668 5.590 2.261 1.00 0.00 C ATOM 0 H LEU A 34 3.253 1.679 5.233 1.00 0.00 H new ATOM 0 HA LEU A 34 4.945 3.382 3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.345 2.513 3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.072 4.130 4.228 1.00 0.00 H new ATOM 0 HG LEU A 34 4.046 3.952 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.253 3.746 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.348 2.279 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.055 3.468 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.825 5.991 1.260 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.627 5.733 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.315 6.111 2.966 1.00 0.00 H new ATOM 586 N TYR A 35 3.522 4.729 6.435 1.00 0.00 N ATOM 587 CA TYR A 35 3.599 5.852 7.364 1.00 0.00 C ATOM 588 C TYR A 35 4.993 5.905 7.989 1.00 0.00 C ATOM 589 O TYR A 35 5.556 6.984 8.188 1.00 0.00 O ATOM 590 CB TYR A 35 2.535 5.699 8.463 1.00 0.00 C ATOM 591 CG TYR A 35 2.523 6.934 9.346 1.00 0.00 C ATOM 592 CD1 TYR A 35 1.779 8.060 8.969 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.260 6.952 10.541 1.00 0.00 C ATOM 594 CE1 TYR A 35 1.770 9.200 9.782 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.250 8.093 11.352 1.00 0.00 C ATOM 596 CZ TYR A 35 2.505 9.216 10.973 1.00 0.00 C ATOM 597 OH TYR A 35 2.496 10.340 11.774 1.00 0.00 O ATOM 0 H TYR A 35 2.857 4.003 6.703 1.00 0.00 H new ATOM 0 HA TYR A 35 3.413 6.779 6.822 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.553 5.554 8.013 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.745 4.814 9.064 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.212 8.049 8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.834 6.086 10.834 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.196 10.067 9.490 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.817 8.107 12.271 1.00 0.00 H new ATOM 0 HH TYR A 35 3.057 10.184 12.563 1.00 0.00 H new ATOM 607 N ASP A 36 5.533 4.721 8.303 1.00 0.00 N ATOM 608 CA ASP A 36 6.862 4.616 8.915 1.00 0.00 C ATOM 609 C ASP A 36 7.969 5.059 7.948 1.00 0.00 C ATOM 610 O ASP A 36 8.945 5.689 8.367 1.00 0.00 O ATOM 611 CB ASP A 36 7.118 3.170 9.362 1.00 0.00 C ATOM 612 CG ASP A 36 8.306 3.124 10.326 1.00 0.00 C ATOM 613 OD1 ASP A 36 9.431 3.141 9.854 1.00 0.00 O ATOM 614 OD2 ASP A 36 8.073 3.071 11.524 1.00 0.00 O ATOM 0 H ASP A 36 5.071 3.825 8.144 1.00 0.00 H new ATOM 0 HA ASP A 36 6.883 5.281 9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.229 2.768 9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.319 2.542 8.494 1.00 0.00 H new ATOM 619 N ASP A 37 7.815 4.712 6.660 1.00 0.00 N ATOM 620 CA ASP A 37 8.808 5.060 5.631 1.00 0.00 C ATOM 621 C ASP A 37 8.106 5.481 4.326 1.00 0.00 C ATOM 622 O ASP A 37 8.073 4.716 3.351 1.00 0.00 O ATOM 623 CB ASP A 37 9.736 3.856 5.371 1.00 0.00 C ATOM 624 CG ASP A 37 10.557 3.528 6.623 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.364 4.357 7.016 1.00 0.00 O ATOM 626 OD2 ASP A 37 10.370 2.452 7.168 1.00 0.00 O ATOM 0 H ASP A 37 7.013 4.191 6.307 1.00 0.00 H new ATOM 0 HA ASP A 37 9.405 5.899 5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.143 2.989 5.081 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.404 4.078 4.539 1.00 0.00 H new ATOM 631 N PRO A 38 7.542 6.673 4.286 1.00 0.00 N ATOM 632 CA PRO A 38 6.823 7.184 3.074 1.00 0.00 C ATOM 633 C PRO A 38 7.737 7.280 1.850 1.00 0.00 C ATOM 634 O PRO A 38 7.265 7.401 0.718 1.00 0.00 O ATOM 635 CB PRO A 38 6.306 8.566 3.496 1.00 0.00 C ATOM 636 CG PRO A 38 7.121 8.961 4.682 1.00 0.00 C ATOM 637 CD PRO A 38 7.528 7.666 5.378 1.00 0.00 C ATOM 0 HA PRO A 38 6.023 6.511 2.767 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.417 9.288 2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.246 8.527 3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.999 9.530 4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.545 9.598 5.354 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.506 7.755 5.851 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.820 7.392 6.160 1.00 0.00 H new ATOM 645 N SER A 39 9.044 7.240 2.092 1.00 0.00 N ATOM 646 CA SER A 39 10.028 7.333 1.017 1.00 0.00 C ATOM 647 C SER A 39 9.901 6.178 0.015 1.00 0.00 C ATOM 648 O SER A 39 10.246 6.346 -1.159 1.00 0.00 O ATOM 649 CB SER A 39 11.442 7.348 1.608 1.00 0.00 C ATOM 650 OG SER A 39 11.566 8.443 2.507 1.00 0.00 O ATOM 0 H SER A 39 9.447 7.144 3.024 1.00 0.00 H new ATOM 0 HA SER A 39 9.837 8.261 0.478 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.640 6.411 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.181 7.432 0.811 1.00 0.00 H new ATOM 0 HG SER A 39 12.469 8.453 2.887 1.00 0.00 H new ATOM 656 N GLN A 40 9.441 5.003 0.480 1.00 0.00 N ATOM 657 CA GLN A 40 9.320 3.826 -0.400 1.00 0.00 C ATOM 658 C GLN A 40 7.864 3.534 -0.789 1.00 0.00 C ATOM 659 O GLN A 40 7.587 2.480 -1.364 1.00 0.00 O ATOM 660 CB GLN A 40 9.910 2.577 0.292 1.00 0.00 C ATOM 661 CG GLN A 40 11.202 2.910 1.054 1.00 0.00 C ATOM 662 CD GLN A 40 12.258 3.517 0.122 1.00 0.00 C ATOM 663 OE1 GLN A 40 12.494 3.005 -0.973 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.916 4.578 0.499 1.00 0.00 N ATOM 0 H GLN A 40 9.151 4.843 1.445 1.00 0.00 H new ATOM 0 HA GLN A 40 9.876 4.056 -1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 40 9.176 2.162 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.115 1.809 -0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.981 3.609 1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.598 2.005 1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.722 5.003 1.406 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.625 4.983 -0.113 1.00 0.00 H new ATOM 673 N SER A 41 6.938 4.453 -0.474 1.00 0.00 N ATOM 674 CA SER A 41 5.505 4.258 -0.787 1.00 0.00 C ATOM 675 C SER A 41 5.294 3.715 -2.204 1.00 0.00 C ATOM 676 O SER A 41 4.382 2.918 -2.444 1.00 0.00 O ATOM 677 CB SER A 41 4.753 5.582 -0.651 1.00 0.00 C ATOM 678 OG SER A 41 4.993 6.132 0.634 1.00 0.00 O ATOM 0 H SER A 41 7.149 5.334 -0.006 1.00 0.00 H new ATOM 0 HA SER A 41 5.120 3.526 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.079 6.279 -1.423 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.685 5.422 -0.796 1.00 0.00 H new ATOM 0 HG SER A 41 5.727 6.779 0.581 1.00 0.00 H new ATOM 684 N ALA A 42 6.149 4.152 -3.125 1.00 0.00 N ATOM 685 CA ALA A 42 6.078 3.717 -4.518 1.00 0.00 C ATOM 686 C ALA A 42 6.286 2.208 -4.637 1.00 0.00 C ATOM 687 O ALA A 42 5.499 1.506 -5.283 1.00 0.00 O ATOM 688 CB ALA A 42 7.176 4.422 -5.311 1.00 0.00 C ATOM 0 H ALA A 42 6.903 4.811 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 42 5.091 3.966 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.133 4.105 -6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.031 5.501 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.149 4.164 -4.893 1.00 0.00 H new ATOM 694 N ASN A 43 7.368 1.728 -4.022 1.00 0.00 N ATOM 695 CA ASN A 43 7.713 0.307 -4.070 1.00 0.00 C ATOM 696 C ASN A 43 6.738 -0.530 -3.233 1.00 0.00 C ATOM 697 O ASN A 43 6.399 -1.645 -3.619 1.00 0.00 O ATOM 698 CB ASN A 43 9.183 0.109 -3.618 1.00 0.00 C ATOM 699 CG ASN A 43 9.283 -0.535 -2.240 1.00 0.00 C ATOM 700 OD1 ASN A 43 8.846 0.118 -1.213 1.00 0.00 O flip ATOM 701 ND2 ASN A 43 9.769 -1.659 -2.103 1.00 0.00 N flip ATOM 0 H ASN A 43 8.019 2.301 -3.486 1.00 0.00 H new ATOM 0 HA ASN A 43 7.623 -0.045 -5.098 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.704 -0.513 -4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.689 1.074 -3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.112 -2.169 -2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.828 -2.079 -1.176 1.00 0.00 H new ATOM 708 N LEU A 44 6.298 0.012 -2.091 1.00 0.00 N ATOM 709 CA LEU A 44 5.368 -0.708 -1.217 1.00 0.00 C ATOM 710 C LEU A 44 4.053 -0.974 -1.949 1.00 0.00 C ATOM 711 O LEU A 44 3.518 -2.085 -1.898 1.00 0.00 O ATOM 712 CB LEU A 44 5.083 0.114 0.035 1.00 0.00 C ATOM 713 CG LEU A 44 6.381 0.397 0.834 1.00 0.00 C ATOM 714 CD1 LEU A 44 6.047 1.241 2.071 1.00 0.00 C ATOM 715 CD2 LEU A 44 7.029 -0.920 1.289 1.00 0.00 C ATOM 0 H LEU A 44 6.568 0.936 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 44 5.825 -1.657 -0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.614 1.057 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.373 -0.419 0.668 1.00 0.00 H new ATOM 0 HG LEU A 44 7.076 0.935 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.960 1.440 2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.601 2.185 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.343 0.699 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.939 -0.703 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.333 -1.467 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.275 -1.525 0.416 1.00 0.00 H new ATOM 727 N LEU A 45 3.551 0.053 -2.648 1.00 0.00 N ATOM 728 CA LEU A 45 2.305 -0.069 -3.422 1.00 0.00 C ATOM 729 C LEU A 45 2.472 -1.147 -4.493 1.00 0.00 C ATOM 730 O LEU A 45 1.632 -2.042 -4.632 1.00 0.00 O ATOM 731 CB LEU A 45 1.975 1.288 -4.074 1.00 0.00 C ATOM 732 CG LEU A 45 0.855 1.148 -5.133 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.426 0.590 -4.493 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.558 2.523 -5.750 1.00 0.00 C ATOM 0 H LEU A 45 3.985 0.975 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 45 1.486 -0.354 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.665 1.997 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.871 1.696 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 45 1.191 0.458 -5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.202 0.499 -5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.221 -0.391 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.765 1.266 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.231 2.424 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.234 3.210 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.459 2.911 -6.224 1.00 0.00 H new ATOM 746 N ALA A 46 3.582 -1.055 -5.223 1.00 0.00 N ATOM 747 CA ALA A 46 3.894 -2.032 -6.272 1.00 0.00 C ATOM 748 C ALA A 46 4.036 -3.428 -5.657 1.00 0.00 C ATOM 749 O ALA A 46 3.575 -4.422 -6.225 1.00 0.00 O ATOM 750 CB ALA A 46 5.202 -1.644 -6.974 1.00 0.00 C ATOM 0 H ALA A 46 4.279 -0.319 -5.111 1.00 0.00 H new ATOM 0 HA ALA A 46 3.084 -2.040 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.428 -2.374 -7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.095 -0.656 -7.423 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.014 -1.626 -6.247 1.00 0.00 H new ATOM 756 N GLU A 47 4.664 -3.474 -4.479 1.00 0.00 N ATOM 757 CA GLU A 47 4.865 -4.724 -3.750 1.00 0.00 C ATOM 758 C GLU A 47 3.528 -5.332 -3.338 1.00 0.00 C ATOM 759 O GLU A 47 3.362 -6.554 -3.363 1.00 0.00 O ATOM 760 CB GLU A 47 5.718 -4.463 -2.499 1.00 0.00 C ATOM 761 CG GLU A 47 7.213 -4.422 -2.867 1.00 0.00 C ATOM 762 CD GLU A 47 7.697 -5.803 -3.330 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.608 -6.739 -2.549 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.162 -5.906 -4.455 1.00 0.00 O ATOM 0 H GLU A 47 5.044 -2.652 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 47 5.379 -5.427 -4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.424 -3.519 -2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.540 -5.245 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.378 -3.690 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.796 -4.097 -2.005 1.00 0.00 H new ATOM 771 N ALA A 48 2.575 -4.474 -2.965 1.00 0.00 N ATOM 772 CA ALA A 48 1.250 -4.940 -2.561 1.00 0.00 C ATOM 773 C ALA A 48 0.569 -5.618 -3.744 1.00 0.00 C ATOM 774 O ALA A 48 -0.020 -6.693 -3.608 1.00 0.00 O ATOM 775 CB ALA A 48 0.403 -3.759 -2.077 1.00 0.00 C ATOM 0 H ALA A 48 2.696 -3.462 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 48 1.353 -5.655 -1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.582 -4.116 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.891 -3.286 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.297 -3.033 -2.883 1.00 0.00 H new ATOM 781 N LYS A 49 0.676 -4.978 -4.908 1.00 0.00 N ATOM 782 CA LYS A 49 0.090 -5.511 -6.132 1.00 0.00 C ATOM 783 C LYS A 49 0.754 -6.843 -6.492 1.00 0.00 C ATOM 784 O LYS A 49 0.101 -7.754 -7.008 1.00 0.00 O ATOM 785 CB LYS A 49 0.278 -4.508 -7.278 1.00 0.00 C ATOM 786 CG LYS A 49 -0.898 -4.608 -8.262 1.00 0.00 C ATOM 787 CD LYS A 49 -0.551 -3.867 -9.564 1.00 0.00 C ATOM 788 CE LYS A 49 -1.801 -3.178 -10.126 1.00 0.00 C ATOM 789 NZ LYS A 49 -1.514 -2.674 -11.500 1.00 0.00 N ATOM 0 H LYS A 49 1.164 -4.090 -5.027 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.976 -5.677 -5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.344 -3.496 -6.879 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.215 -4.708 -7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.118 -5.654 -8.475 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.795 -4.178 -7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.227 -3.128 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.153 -4.569 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.636 -3.879 -10.151 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.097 -2.353 -9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.361 -2.207 -11.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.729 -1.992 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.252 -3.471 -12.114 1.00 0.00 H new ATOM 803 N LYS A 50 2.063 -6.935 -6.217 1.00 0.00 N ATOM 804 CA LYS A 50 2.835 -8.143 -6.507 1.00 0.00 C ATOM 805 C LYS A 50 2.250 -9.345 -5.766 1.00 0.00 C ATOM 806 O LYS A 50 2.032 -10.405 -6.363 1.00 0.00 O ATOM 807 CB LYS A 50 4.290 -7.930 -6.077 1.00 0.00 C ATOM 808 CG LYS A 50 5.172 -9.064 -6.620 1.00 0.00 C ATOM 809 CD LYS A 50 6.644 -8.788 -6.271 1.00 0.00 C ATOM 810 CE LYS A 50 6.921 -9.154 -4.807 1.00 0.00 C ATOM 811 NZ LYS A 50 8.335 -8.815 -4.472 1.00 0.00 N ATOM 0 H LYS A 50 2.607 -6.183 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 50 2.792 -8.341 -7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.650 -6.970 -6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.355 -7.897 -4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.860 -10.017 -6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.053 -9.145 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.295 -9.366 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.874 -7.736 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.240 -8.613 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.742 -10.217 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.516 -9.031 -3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.977 -9.375 -5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.499 -7.802 -4.643 1.00 0.00 H new ATOM 825 N LEU A 51 1.987 -9.163 -4.468 1.00 0.00 N ATOM 826 CA LEU A 51 1.412 -10.231 -3.647 1.00 0.00 C ATOM 827 C LEU A 51 0.022 -10.598 -4.159 1.00 0.00 C ATOM 828 O LEU A 51 -0.341 -11.776 -4.192 1.00 0.00 O ATOM 829 CB LEU A 51 1.348 -9.791 -2.173 1.00 0.00 C ATOM 830 CG LEU A 51 2.690 -10.105 -1.482 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.822 -9.272 -0.201 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.760 -11.601 -1.130 1.00 0.00 C ATOM 0 H LEU A 51 2.162 -8.292 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 51 2.049 -11.113 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.136 -8.724 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.535 -10.308 -1.663 1.00 0.00 H new ATOM 0 HG LEU A 51 3.505 -9.856 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.772 -9.498 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.785 -8.212 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.003 -9.514 0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.711 -11.816 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.941 -11.855 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.678 -12.193 -2.041 1.00 0.00 H new ATOM 844 N ASN A 52 -0.738 -9.583 -4.572 1.00 0.00 N ATOM 845 CA ASN A 52 -2.082 -9.800 -5.106 1.00 0.00 C ATOM 846 C ASN A 52 -2.006 -10.646 -6.379 1.00 0.00 C ATOM 847 O ASN A 52 -2.744 -11.625 -6.530 1.00 0.00 O ATOM 848 CB ASN A 52 -2.742 -8.431 -5.388 1.00 0.00 C ATOM 849 CG ASN A 52 -3.746 -8.503 -6.546 1.00 0.00 C ATOM 850 OD1 ASN A 52 -5.004 -8.729 -6.297 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -3.369 -8.346 -7.707 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.447 -8.606 -4.547 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.689 -10.339 -4.379 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.250 -8.082 -4.489 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.970 -7.698 -5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.384 -8.169 -7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.042 -8.393 -8.472 1.00 0.00 H new ATOM 858 N ASP A 53 -1.107 -10.256 -7.284 1.00 0.00 N ATOM 859 CA ASP A 53 -0.931 -10.972 -8.547 1.00 0.00 C ATOM 860 C ASP A 53 -0.470 -12.408 -8.305 1.00 0.00 C ATOM 861 O ASP A 53 -0.878 -13.325 -9.024 1.00 0.00 O ATOM 862 CB ASP A 53 0.101 -10.242 -9.415 1.00 0.00 C ATOM 863 CG ASP A 53 0.181 -10.881 -10.805 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.637 -10.536 -11.643 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.056 -11.707 -11.009 1.00 0.00 O ATOM 0 H ASP A 53 -0.492 -9.451 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.892 -11.001 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.171 -9.190 -9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.079 -10.278 -8.935 1.00 0.00 H new ATOM 870 N ALA A 54 0.406 -12.587 -7.315 1.00 0.00 N ATOM 871 CA ALA A 54 0.947 -13.908 -7.012 1.00 0.00 C ATOM 872 C ALA A 54 -0.076 -14.807 -6.306 1.00 0.00 C ATOM 873 O ALA A 54 -0.298 -15.948 -6.722 1.00 0.00 O ATOM 874 CB ALA A 54 2.196 -13.763 -6.134 1.00 0.00 C ATOM 0 H ALA A 54 0.752 -11.839 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 54 1.203 -14.383 -7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.599 -14.750 -5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.947 -13.177 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.931 -13.258 -5.205 1.00 0.00 H new ATOM 880 N GLN A 55 -0.681 -14.292 -5.230 1.00 0.00 N ATOM 881 CA GLN A 55 -1.667 -15.055 -4.452 1.00 0.00 C ATOM 882 C GLN A 55 -2.929 -15.355 -5.267 1.00 0.00 C ATOM 883 O GLN A 55 -3.624 -16.337 -4.992 1.00 0.00 O ATOM 884 CB GLN A 55 -2.042 -14.296 -3.167 1.00 0.00 C ATOM 885 CG GLN A 55 -0.821 -14.199 -2.242 1.00 0.00 C ATOM 886 CD GLN A 55 -1.065 -13.121 -1.193 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.412 -11.927 -1.585 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -0.941 -13.370 0.007 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.506 -13.351 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.205 -16.006 -4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.401 -13.297 -3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.857 -14.809 -2.656 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.641 -15.159 -1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.071 -13.962 -2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.669 -14.306 0.308 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.110 -12.640 0.699 1.00 0.00 H new ATOM 897 N ALA A 56 -3.229 -14.497 -6.254 1.00 0.00 N ATOM 898 CA ALA A 56 -4.423 -14.669 -7.097 1.00 0.00 C ATOM 899 C ALA A 56 -4.466 -16.066 -7.744 1.00 0.00 C ATOM 900 O ALA A 56 -3.426 -16.718 -7.882 1.00 0.00 O ATOM 901 CB ALA A 56 -4.443 -13.598 -8.196 1.00 0.00 C ATOM 0 H ALA A 56 -2.664 -13.680 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.299 -14.564 -6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.329 -13.730 -8.817 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.464 -12.608 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.550 -13.693 -8.813 1.00 0.00 H new ATOM 907 N PRO A 57 -5.646 -16.530 -8.133 1.00 0.00 N ATOM 908 CA PRO A 57 -5.827 -17.875 -8.775 1.00 0.00 C ATOM 909 C PRO A 57 -4.883 -18.104 -9.956 1.00 0.00 C ATOM 910 O PRO A 57 -4.405 -17.149 -10.573 1.00 0.00 O ATOM 911 CB PRO A 57 -7.285 -17.870 -9.244 1.00 0.00 C ATOM 912 CG PRO A 57 -7.978 -16.885 -8.366 1.00 0.00 C ATOM 913 CD PRO A 57 -6.940 -15.826 -8.000 1.00 0.00 C ATOM 0 HA PRO A 57 -5.597 -18.679 -8.076 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.360 -17.583 -10.293 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.731 -18.860 -9.152 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.826 -16.435 -8.882 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.369 -17.370 -7.472 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.996 -14.965 -8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.090 -15.454 -6.986 1.00 0.00 H new ATOM 921 N LYS A 58 -4.635 -19.384 -10.253 1.00 0.00 N ATOM 922 CA LYS A 58 -3.756 -19.789 -11.358 1.00 0.00 C ATOM 923 C LYS A 58 -2.310 -19.319 -11.110 1.00 0.00 C ATOM 924 O LYS A 58 -1.989 -18.188 -11.449 1.00 0.00 O ATOM 925 CB LYS A 58 -4.291 -19.246 -12.702 1.00 0.00 C ATOM 926 CG LYS A 58 -5.679 -19.843 -12.996 1.00 0.00 C ATOM 927 CD LYS A 58 -6.133 -19.460 -14.415 1.00 0.00 C ATOM 928 CE LYS A 58 -6.449 -17.960 -14.484 1.00 0.00 C ATOM 929 NZ LYS A 58 -6.885 -17.612 -15.867 1.00 0.00 N ATOM 930 OXT LYS A 58 -1.541 -20.104 -10.578 1.00 0.00 O ATOM 0 H LYS A 58 -5.036 -20.167 -9.737 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.749 -20.878 -11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.354 -18.158 -12.665 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.600 -19.498 -13.506 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.644 -20.928 -12.898 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.401 -19.480 -12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.352 -19.708 -15.134 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.015 -20.038 -14.691 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.232 -17.708 -13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.569 -17.378 -14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.100 -16.596 -15.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.124 -17.839 -16.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.736 -18.159 -16.111 1.00 0.00 H new