USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=31 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 141 SER OG : rot -84:sc= 1.2 USER MOD Set 1.2: A 142 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 130 ASN : amide:sc= 0 K(o=-0.28,f=-0.8) USER MOD Set 2.2: A 137 GLN :FLIP amide:sc= -0.279 F(o=-1.7,f=-0.28) USER MOD Set 3.1: A 101 ASN : amide:sc= 0.708 K(o=2,f=0.35) USER MOD Set 3.2: A 103 SER OG : rot -80:sc= 1.28 USER MOD Set 4.1: A 96 ASN : amide:sc= -0.813! K(o=2.1!,f=-2) USER MOD Set 4.2: A 121 SER OG : rot 51:sc= 1.12 USER MOD Set 4.3: A 125 GLN : amide:sc= 1.75 K(o=2.1,f=-2) USER MOD Set 5.1: A 23 ASN : amide:sc= 0.236 K(o=1.1,f=-0.21) USER MOD Set 5.2: A 91 SER OG : rot -106:sc= 0.886 USER MOD Set 6.1: A 29 SER OG : rot -120:sc=-0.00867 USER MOD Set 6.2: A 143 SER OG : rot -71:sc= 0.108 USER MOD Set 7.1: A 14 SER OG : rot 180:sc= 0.0453 USER MOD Set 7.2: A 104 ASN : amide:sc= -0.743 K(o=-0.7,f=-3.6!) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00244 USER MOD Single : A 27 ASN : amide:sc= 0.701 K(o=0.7,f=-0.023) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0539 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 112:sc= 0.262 USER MOD Single : A 40 SER OG : rot -80:sc= -0.822 USER MOD Single : A 41 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.3!) USER MOD Single : A 42 GLN : amide:sc= -1.92 K(o=-1.9,f=-2.6!) USER MOD Single : A 45 SER OG : rot -13:sc= 0.206 USER MOD Single : A 46 SER OG : rot 180:sc= 0.31 USER MOD Single : A 49 GLN : amide:sc= -0.0751 X(o=-0.075,f=-0.55) USER MOD Single : A 53 GLN : amide:sc= -4.11! C(o=-4.1!,f=-3.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.85) USER MOD Single : A 65 ASN : amide:sc= -2.86! C(o=-2.9!,f=-5.8!) USER MOD Single : A 72 GLN : amide:sc= 0.716 K(o=0.72,f=-5.2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.724 USER MOD Single : A 88 GLN : amide:sc= -2.59 K(o=-2.6,f=-4.5!) USER MOD Single : A 92 SER OG : rot 178:sc= -1.48! USER MOD Single : A 107 THR OG1 : rot 78:sc= 0.88 USER MOD Single : A 110 SER OG : rot 180:sc= 0.0256 USER MOD Single : A 114 SER OG : rot 61:sc= 0.276 USER MOD Single : A 118 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0.00996 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 81:sc= 1.21 USER MOD Single : A 144 SER OG : rot -92:sc= 0.248 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.316 -6.783 -13.588 1.00 0.00 N ATOM 124 CA GLY A 12 -1.674 -8.061 -13.811 1.00 0.00 C ATOM 125 C GLY A 12 -0.246 -7.933 -14.297 1.00 0.00 C ATOM 126 O GLY A 12 0.626 -8.677 -13.856 1.00 0.00 O ATOM 0 HA2 GLY A 12 -1.686 -8.633 -12.883 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.251 -8.628 -14.542 1.00 0.00 H new ATOM 130 N ALA A 13 0.000 -6.988 -15.198 1.00 0.00 N ATOM 131 CA ALA A 13 1.347 -6.779 -15.741 1.00 0.00 C ATOM 132 C ALA A 13 2.339 -6.429 -14.638 1.00 0.00 C ATOM 133 O ALA A 13 3.499 -6.843 -14.673 1.00 0.00 O ATOM 134 CB ALA A 13 1.339 -5.681 -16.801 1.00 0.00 C ATOM 0 H ALA A 13 -0.708 -6.355 -15.569 1.00 0.00 H new ATOM 0 HA ALA A 13 1.663 -7.714 -16.204 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.348 -5.543 -17.190 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.672 -5.966 -17.615 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.991 -4.749 -16.356 1.00 0.00 H new ATOM 140 N SER A 14 1.876 -5.685 -13.652 1.00 0.00 N ATOM 141 CA SER A 14 2.726 -5.264 -12.566 1.00 0.00 C ATOM 142 C SER A 14 3.005 -6.420 -11.605 1.00 0.00 C ATOM 143 O SER A 14 4.007 -6.408 -10.898 1.00 0.00 O ATOM 144 CB SER A 14 2.098 -4.081 -11.818 1.00 0.00 C ATOM 145 OG SER A 14 2.983 -3.566 -10.833 1.00 0.00 O ATOM 0 H SER A 14 0.911 -5.361 -13.585 1.00 0.00 H new ATOM 0 HA SER A 14 3.677 -4.941 -12.989 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.842 -3.294 -12.527 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.169 -4.399 -11.345 1.00 0.00 H new ATOM 0 HG SER A 14 2.558 -2.812 -10.373 1.00 0.00 H new ATOM 151 N ALA A 15 2.133 -7.428 -11.613 1.00 0.00 N ATOM 152 CA ALA A 15 2.264 -8.574 -10.710 1.00 0.00 C ATOM 153 C ALA A 15 3.535 -9.378 -10.981 1.00 0.00 C ATOM 154 O ALA A 15 4.026 -10.092 -10.105 1.00 0.00 O ATOM 155 CB ALA A 15 1.039 -9.465 -10.799 1.00 0.00 C ATOM 0 H ALA A 15 1.326 -7.475 -12.236 1.00 0.00 H new ATOM 0 HA ALA A 15 2.341 -8.180 -9.696 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.154 -10.311 -10.121 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.153 -8.895 -10.520 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.928 -9.830 -11.820 1.00 0.00 H new ATOM 161 N GLY A 16 4.066 -9.261 -12.183 1.00 0.00 N ATOM 162 CA GLY A 16 5.285 -9.962 -12.506 1.00 0.00 C ATOM 163 C GLY A 16 6.520 -9.182 -12.095 1.00 0.00 C ATOM 164 O GLY A 16 7.518 -9.759 -11.671 1.00 0.00 O ATOM 0 H GLY A 16 3.677 -8.696 -12.938 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.287 -10.932 -12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.319 -10.154 -13.578 1.00 0.00 H new ATOM 168 N LEU A 17 6.444 -7.864 -12.202 1.00 0.00 N ATOM 169 CA LEU A 17 7.586 -7.013 -11.897 1.00 0.00 C ATOM 170 C LEU A 17 7.704 -6.696 -10.406 1.00 0.00 C ATOM 171 O LEU A 17 8.805 -6.564 -9.900 1.00 0.00 O ATOM 172 CB LEU A 17 7.537 -5.713 -12.729 1.00 0.00 C ATOM 173 CG LEU A 17 6.351 -4.769 -12.468 1.00 0.00 C ATOM 174 CD1 LEU A 17 6.683 -3.752 -11.384 1.00 0.00 C ATOM 175 CD2 LEU A 17 5.931 -4.069 -13.746 1.00 0.00 C ATOM 0 H LEU A 17 5.607 -7.361 -12.497 1.00 0.00 H new ATOM 0 HA LEU A 17 8.479 -7.575 -12.171 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.458 -5.159 -12.549 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.529 -5.985 -13.785 1.00 0.00 H new ATOM 0 HG LEU A 17 5.516 -5.374 -12.115 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.825 -3.099 -11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.922 -4.273 -10.457 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.540 -3.155 -11.696 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.091 -3.406 -13.539 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.767 -3.486 -14.133 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.633 -4.811 -14.487 1.00 0.00 H new ATOM 187 N ILE A 18 6.557 -6.595 -9.712 1.00 0.00 N ATOM 188 CA ILE A 18 6.510 -6.187 -8.285 1.00 0.00 C ATOM 189 C ILE A 18 7.568 -6.859 -7.414 1.00 0.00 C ATOM 190 O ILE A 18 8.315 -6.184 -6.708 1.00 0.00 O ATOM 191 CB ILE A 18 5.118 -6.427 -7.650 1.00 0.00 C ATOM 192 CG1 ILE A 18 4.590 -7.824 -7.998 1.00 0.00 C ATOM 193 CG2 ILE A 18 4.137 -5.344 -8.072 1.00 0.00 C ATOM 194 CD1 ILE A 18 3.242 -8.143 -7.389 1.00 0.00 C ATOM 0 H ILE A 18 5.640 -6.791 -10.114 1.00 0.00 H new ATOM 0 HA ILE A 18 6.724 -5.118 -8.309 1.00 0.00 H new ATOM 0 HB ILE A 18 5.225 -6.375 -6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.518 -7.914 -9.082 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.313 -8.568 -7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.166 -5.534 -7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.507 -4.371 -7.748 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.033 -5.350 -9.157 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.939 -9.148 -7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.311 -8.087 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.504 -7.424 -7.743 1.00 0.00 H new ATOM 206 N SER A 19 7.639 -8.163 -7.476 1.00 0.00 N ATOM 207 CA SER A 19 8.553 -8.918 -6.648 1.00 0.00 C ATOM 208 C SER A 19 10.017 -8.667 -7.031 1.00 0.00 C ATOM 209 O SER A 19 10.912 -8.921 -6.245 1.00 0.00 O ATOM 210 CB SER A 19 8.228 -10.400 -6.767 1.00 0.00 C ATOM 211 OG SER A 19 6.823 -10.609 -6.711 1.00 0.00 O ATOM 0 H SER A 19 7.068 -8.734 -8.099 1.00 0.00 H new ATOM 0 HA SER A 19 8.428 -8.588 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.622 -10.790 -7.705 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.716 -10.951 -5.963 1.00 0.00 H new ATOM 0 HG SER A 19 6.631 -11.567 -6.791 1.00 0.00 H new ATOM 217 N ARG A 20 10.242 -8.188 -8.248 1.00 0.00 N ATOM 218 CA ARG A 20 11.592 -7.969 -8.752 1.00 0.00 C ATOM 219 C ARG A 20 12.141 -6.577 -8.436 1.00 0.00 C ATOM 220 O ARG A 20 13.354 -6.387 -8.393 1.00 0.00 O ATOM 221 CB ARG A 20 11.638 -8.192 -10.262 1.00 0.00 C ATOM 222 CG ARG A 20 11.048 -9.507 -10.724 1.00 0.00 C ATOM 223 CD ARG A 20 11.095 -9.624 -12.235 1.00 0.00 C ATOM 224 NE ARG A 20 10.484 -10.860 -12.698 1.00 0.00 N ATOM 225 CZ ARG A 20 9.914 -11.018 -13.898 1.00 0.00 C ATOM 226 NH1 ARG A 20 9.919 -10.019 -14.782 1.00 0.00 N ATOM 227 NH2 ARG A 20 9.350 -12.174 -14.217 1.00 0.00 N ATOM 0 H ARG A 20 9.503 -7.943 -8.907 1.00 0.00 H new ATOM 0 HA ARG A 20 12.225 -8.692 -8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.105 -7.378 -10.753 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.675 -8.138 -10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.598 -10.334 -10.275 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.016 -9.587 -10.382 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.580 -8.774 -12.682 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.131 -9.582 -12.571 1.00 0.00 H new ATOM 0 HE ARG A 20 10.491 -11.660 -12.065 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.359 -9.130 -14.544 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.483 -10.144 -15.696 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.350 -12.944 -13.548 1.00 0.00 H new ATOM 0 HH22 ARG A 20 8.915 -12.294 -15.132 1.00 0.00 H new ATOM 241 N VAL A 21 11.257 -5.609 -8.231 1.00 0.00 N ATOM 242 CA VAL A 21 11.695 -4.213 -8.072 1.00 0.00 C ATOM 243 C VAL A 21 12.390 -3.950 -6.723 1.00 0.00 C ATOM 244 O VAL A 21 12.817 -4.868 -6.041 1.00 0.00 O ATOM 245 CB VAL A 21 10.539 -3.188 -8.263 1.00 0.00 C ATOM 246 CG1 VAL A 21 10.993 -2.044 -9.149 1.00 0.00 C ATOM 247 CG2 VAL A 21 9.294 -3.832 -8.839 1.00 0.00 C ATOM 0 H VAL A 21 10.249 -5.752 -8.170 1.00 0.00 H new ATOM 0 HA VAL A 21 12.423 -4.065 -8.870 1.00 0.00 H new ATOM 0 HB VAL A 21 10.281 -2.802 -7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.175 -1.334 -9.275 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.842 -1.541 -8.687 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.288 -2.433 -10.123 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.515 -3.079 -8.954 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.526 -4.266 -9.811 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.945 -4.615 -8.166 1.00 0.00 H new ATOM 257 N ALA A 22 12.480 -2.666 -6.364 1.00 0.00 N ATOM 258 CA ALA A 22 13.175 -2.193 -5.156 1.00 0.00 C ATOM 259 C ALA A 22 12.840 -3.000 -3.894 1.00 0.00 C ATOM 260 O ALA A 22 13.715 -3.242 -3.060 1.00 0.00 O ATOM 261 CB ALA A 22 12.866 -0.721 -4.932 1.00 0.00 C ATOM 0 H ALA A 22 12.066 -1.911 -6.911 1.00 0.00 H new ATOM 0 HA ALA A 22 14.241 -2.337 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.382 -0.373 -4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.203 -0.143 -5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.791 -0.590 -4.806 1.00 0.00 H new ATOM 267 N ASN A 23 11.589 -3.418 -3.761 1.00 0.00 N ATOM 268 CA ASN A 23 11.159 -4.168 -2.581 1.00 0.00 C ATOM 269 C ASN A 23 11.851 -5.529 -2.476 1.00 0.00 C ATOM 270 O ASN A 23 11.986 -6.073 -1.380 1.00 0.00 O ATOM 271 CB ASN A 23 9.638 -4.326 -2.543 1.00 0.00 C ATOM 272 CG ASN A 23 8.946 -3.262 -1.691 1.00 0.00 C ATOM 273 OD1 ASN A 23 7.895 -3.512 -1.098 1.00 0.00 O ATOM 274 ND2 ASN A 23 9.526 -2.077 -1.618 1.00 0.00 N ATOM 0 H ASN A 23 10.855 -3.254 -4.450 1.00 0.00 H new ATOM 0 HA ASN A 23 11.461 -3.583 -1.712 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.248 -4.279 -3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.391 -5.313 -2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.104 -1.336 -1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.396 -1.903 -2.121 1.00 0.00 H new ATOM 281 N ALA A 24 12.296 -6.070 -3.609 1.00 0.00 N ATOM 282 CA ALA A 24 13.013 -7.340 -3.617 1.00 0.00 C ATOM 283 C ALA A 24 14.288 -7.211 -2.807 1.00 0.00 C ATOM 284 O ALA A 24 14.532 -7.979 -1.876 1.00 0.00 O ATOM 285 CB ALA A 24 13.342 -7.758 -5.037 1.00 0.00 C ATOM 0 H ALA A 24 12.172 -5.649 -4.530 1.00 0.00 H new ATOM 0 HA ALA A 24 12.377 -8.104 -3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.877 -8.708 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.419 -7.870 -5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.967 -6.997 -5.505 1.00 0.00 H new ATOM 291 N LEU A 25 15.082 -6.205 -3.158 1.00 0.00 N ATOM 292 CA LEU A 25 16.326 -5.916 -2.464 1.00 0.00 C ATOM 293 C LEU A 25 16.043 -5.468 -1.041 1.00 0.00 C ATOM 294 O LEU A 25 16.816 -5.742 -0.124 1.00 0.00 O ATOM 295 CB LEU A 25 17.094 -4.821 -3.196 1.00 0.00 C ATOM 296 CG LEU A 25 18.392 -4.370 -2.532 1.00 0.00 C ATOM 297 CD1 LEU A 25 19.472 -5.437 -2.668 1.00 0.00 C ATOM 298 CD2 LEU A 25 18.853 -3.046 -3.112 1.00 0.00 C ATOM 0 H LEU A 25 14.880 -5.570 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 25 16.927 -6.825 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.324 -5.174 -4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.442 -3.954 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 25 18.202 -4.226 -1.468 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.387 -5.092 -2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.136 -6.358 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.666 -5.626 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.780 -2.739 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.023 -3.157 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.087 -2.289 -2.943 1.00 0.00 H new ATOM 310 N ALA A 26 14.926 -4.766 -0.865 1.00 0.00 N ATOM 311 CA ALA A 26 14.522 -4.291 0.446 1.00 0.00 C ATOM 312 C ALA A 26 14.362 -5.458 1.412 1.00 0.00 C ATOM 313 O ALA A 26 14.650 -5.325 2.598 1.00 0.00 O ATOM 314 CB ALA A 26 13.226 -3.485 0.354 1.00 0.00 C ATOM 0 H ALA A 26 14.286 -4.516 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 26 15.304 -3.635 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.942 -3.139 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.377 -2.626 -0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.434 -4.115 -0.051 1.00 0.00 H new ATOM 320 N ASN A 27 13.893 -6.608 0.881 1.00 0.00 N ATOM 321 CA ASN A 27 13.707 -7.847 1.663 1.00 0.00 C ATOM 322 C ASN A 27 12.855 -7.612 2.909 1.00 0.00 C ATOM 323 O ASN A 27 12.839 -8.424 3.831 1.00 0.00 O ATOM 324 CB ASN A 27 15.062 -8.429 2.056 1.00 0.00 C ATOM 325 CG ASN A 27 15.367 -9.759 1.374 1.00 0.00 C ATOM 326 OD1 ASN A 27 15.903 -10.681 1.995 1.00 0.00 O ATOM 327 ND2 ASN A 27 15.071 -9.857 0.093 1.00 0.00 N ATOM 0 H ASN A 27 13.633 -6.702 -0.101 1.00 0.00 H new ATOM 0 HA ASN A 27 13.176 -8.558 1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.844 -7.712 1.806 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.091 -8.568 3.137 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.285 -10.715 -0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.628 -9.075 -0.389 1.00 0.00 H new ATOM 334 N THR A 28 12.136 -6.514 2.912 1.00 0.00 N ATOM 335 CA THR A 28 11.348 -6.113 4.042 1.00 0.00 C ATOM 336 C THR A 28 10.061 -6.940 4.145 1.00 0.00 C ATOM 337 O THR A 28 9.594 -7.514 3.160 1.00 0.00 O ATOM 338 CB THR A 28 11.022 -4.614 3.934 1.00 0.00 C ATOM 339 OG1 THR A 28 12.216 -3.907 3.572 1.00 0.00 O ATOM 340 CG2 THR A 28 10.510 -4.069 5.254 1.00 0.00 C ATOM 0 H THR A 28 12.085 -5.872 2.121 1.00 0.00 H new ATOM 0 HA THR A 28 11.924 -6.292 4.950 1.00 0.00 H new ATOM 0 HB THR A 28 10.247 -4.480 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.020 -2.950 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.288 -3.007 5.148 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.604 -4.602 5.541 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.270 -4.205 6.023 1.00 0.00 H new ATOM 348 N SER A 29 9.501 -6.995 5.345 1.00 0.00 N ATOM 349 CA SER A 29 8.294 -7.755 5.608 1.00 0.00 C ATOM 350 C SER A 29 7.096 -7.242 4.803 1.00 0.00 C ATOM 351 O SER A 29 6.123 -7.955 4.651 1.00 0.00 O ATOM 352 CB SER A 29 7.977 -7.708 7.099 1.00 0.00 C ATOM 353 OG SER A 29 9.105 -8.091 7.864 1.00 0.00 O ATOM 0 H SER A 29 9.874 -6.512 6.163 1.00 0.00 H new ATOM 0 HA SER A 29 8.476 -8.783 5.295 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.667 -6.701 7.378 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.140 -8.371 7.319 1.00 0.00 H new ATOM 0 HG SER A 29 8.882 -8.878 8.403 1.00 0.00 H new ATOM 359 N THR A 30 7.205 -6.018 4.273 1.00 0.00 N ATOM 360 CA THR A 30 6.125 -5.363 3.513 1.00 0.00 C ATOM 361 C THR A 30 5.610 -6.218 2.348 1.00 0.00 C ATOM 362 O THR A 30 4.428 -6.175 2.009 1.00 0.00 O ATOM 363 CB THR A 30 6.608 -4.012 2.966 1.00 0.00 C ATOM 364 OG1 THR A 30 7.905 -4.174 2.365 1.00 0.00 O ATOM 365 CG2 THR A 30 6.697 -2.985 4.077 1.00 0.00 C ATOM 0 H THR A 30 8.047 -5.449 4.358 1.00 0.00 H new ATOM 0 HA THR A 30 5.299 -5.222 4.210 1.00 0.00 H new ATOM 0 HB THR A 30 5.892 -3.663 2.222 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.213 -3.312 2.014 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.041 -2.035 3.668 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.714 -2.851 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.400 -3.329 4.835 1.00 0.00 H new ATOM 373 N LEU A 31 6.508 -6.963 1.733 1.00 0.00 N ATOM 374 CA LEU A 31 6.158 -7.838 0.623 1.00 0.00 C ATOM 375 C LEU A 31 6.314 -9.291 1.034 1.00 0.00 C ATOM 376 O LEU A 31 5.794 -10.201 0.383 1.00 0.00 O ATOM 377 CB LEU A 31 7.028 -7.555 -0.619 1.00 0.00 C ATOM 378 CG LEU A 31 8.530 -7.870 -0.490 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.139 -8.169 -1.861 1.00 0.00 C ATOM 380 CD2 LEU A 31 9.270 -6.715 0.176 1.00 0.00 C ATOM 0 H LEU A 31 7.496 -6.982 1.984 1.00 0.00 H new ATOM 0 HA LEU A 31 5.118 -7.640 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.629 -8.131 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.921 -6.502 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 31 8.636 -8.755 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.201 -8.389 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.636 -9.029 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.015 -7.303 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.329 -6.960 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.151 -5.813 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.860 -6.546 1.172 1.00 0.00 H new ATOM 392 N ARG A 32 7.060 -9.500 2.102 1.00 0.00 N ATOM 393 CA ARG A 32 7.395 -10.831 2.554 1.00 0.00 C ATOM 394 C ARG A 32 6.259 -11.508 3.328 1.00 0.00 C ATOM 395 O ARG A 32 5.975 -12.681 3.100 1.00 0.00 O ATOM 396 CB ARG A 32 8.658 -10.794 3.407 1.00 0.00 C ATOM 397 CG ARG A 32 9.623 -11.923 3.114 1.00 0.00 C ATOM 398 CD ARG A 32 10.181 -11.805 1.700 1.00 0.00 C ATOM 399 NE ARG A 32 11.145 -12.858 1.393 1.00 0.00 N ATOM 400 CZ ARG A 32 10.982 -13.769 0.431 1.00 0.00 C ATOM 401 NH1 ARG A 32 9.875 -13.781 -0.306 1.00 0.00 N ATOM 402 NH2 ARG A 32 11.930 -14.668 0.203 1.00 0.00 N ATOM 0 H ARG A 32 7.448 -8.752 2.677 1.00 0.00 H new ATOM 0 HA ARG A 32 7.567 -11.430 1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.166 -9.843 3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.376 -10.832 4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.440 -11.905 3.835 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.116 -12.881 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.360 -11.847 0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.659 -10.833 1.581 1.00 0.00 H new ATOM 0 HE ARG A 32 11.999 -12.900 1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.143 -13.091 -0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.758 -14.480 -1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.783 -14.663 0.763 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.806 -15.364 -0.532 1.00 0.00 H new ATOM 416 N THR A 33 5.605 -10.782 4.231 1.00 0.00 N ATOM 417 CA THR A 33 4.573 -11.401 5.059 1.00 0.00 C ATOM 418 C THR A 33 3.667 -10.369 5.763 1.00 0.00 C ATOM 419 O THR A 33 2.458 -10.579 5.891 1.00 0.00 O ATOM 420 CB THR A 33 5.204 -12.364 6.106 1.00 0.00 C ATOM 421 OG1 THR A 33 4.189 -12.951 6.932 1.00 0.00 O ATOM 422 CG2 THR A 33 6.224 -11.647 6.980 1.00 0.00 C ATOM 0 H THR A 33 5.765 -9.790 4.406 1.00 0.00 H new ATOM 0 HA THR A 33 3.940 -11.973 4.381 1.00 0.00 H new ATOM 0 HB THR A 33 5.717 -13.151 5.554 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.605 -13.554 7.583 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.644 -12.350 7.700 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.022 -11.247 6.354 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.737 -10.830 7.513 1.00 0.00 H new ATOM 430 N VAL A 34 4.250 -9.270 6.206 1.00 0.00 N ATOM 431 CA VAL A 34 3.503 -8.228 6.909 1.00 0.00 C ATOM 432 C VAL A 34 2.928 -7.227 5.911 1.00 0.00 C ATOM 433 O VAL A 34 3.551 -6.931 4.907 1.00 0.00 O ATOM 434 CB VAL A 34 4.401 -7.485 7.941 1.00 0.00 C ATOM 435 CG1 VAL A 34 3.635 -6.374 8.645 1.00 0.00 C ATOM 436 CG2 VAL A 34 4.958 -8.463 8.961 1.00 0.00 C ATOM 0 H VAL A 34 5.244 -9.070 6.093 1.00 0.00 H new ATOM 0 HA VAL A 34 2.688 -8.710 7.450 1.00 0.00 H new ATOM 0 HB VAL A 34 5.228 -7.031 7.395 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.291 -5.876 9.359 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.284 -5.651 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.781 -6.799 9.173 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.584 -7.927 9.675 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.136 -8.945 9.489 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.555 -9.219 8.452 1.00 0.00 H new ATOM 446 N LEU A 35 1.724 -6.728 6.188 1.00 0.00 N ATOM 447 CA LEU A 35 1.069 -5.769 5.300 1.00 0.00 C ATOM 448 C LEU A 35 1.963 -4.559 5.025 1.00 0.00 C ATOM 449 O LEU A 35 2.653 -4.058 5.920 1.00 0.00 O ATOM 450 CB LEU A 35 -0.291 -5.305 5.862 1.00 0.00 C ATOM 451 CG LEU A 35 -0.258 -4.456 7.146 1.00 0.00 C ATOM 452 CD1 LEU A 35 -1.540 -3.655 7.279 1.00 0.00 C ATOM 453 CD2 LEU A 35 -0.068 -5.335 8.377 1.00 0.00 C ATOM 0 H LEU A 35 1.184 -6.971 7.018 1.00 0.00 H new ATOM 0 HA LEU A 35 0.889 -6.287 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.800 -4.731 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.898 -6.189 6.055 1.00 0.00 H new ATOM 0 HG LEU A 35 0.588 -3.772 7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.504 -3.059 8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.648 -2.995 6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.391 -4.335 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.048 -4.711 9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.892 -6.044 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.873 -5.879 8.294 1.00 0.00 H new ATOM 465 N ARG A 36 1.941 -4.107 3.780 1.00 0.00 N ATOM 466 CA ARG A 36 2.741 -2.972 3.338 1.00 0.00 C ATOM 467 C ARG A 36 2.419 -1.710 4.130 1.00 0.00 C ATOM 468 O ARG A 36 1.306 -1.545 4.650 1.00 0.00 O ATOM 469 CB ARG A 36 2.503 -2.699 1.851 1.00 0.00 C ATOM 470 CG ARG A 36 1.039 -2.477 1.506 1.00 0.00 C ATOM 471 CD ARG A 36 0.867 -1.753 0.180 1.00 0.00 C ATOM 472 NE ARG A 36 1.404 -0.391 0.232 1.00 0.00 N ATOM 473 CZ ARG A 36 0.755 0.707 -0.169 1.00 0.00 C ATOM 474 NH1 ARG A 36 -0.469 0.620 -0.692 1.00 0.00 N ATOM 475 NH2 ARG A 36 1.335 1.893 -0.046 1.00 0.00 N ATOM 0 H ARG A 36 1.366 -4.518 3.044 1.00 0.00 H new ATOM 0 HA ARG A 36 3.786 -3.232 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.076 -1.821 1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.883 -3.539 1.269 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.527 -3.439 1.462 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.564 -1.899 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.371 -2.313 -0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.191 -1.717 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 36 2.347 -0.271 0.603 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.919 -0.290 -0.789 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.955 1.464 -0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.271 1.964 0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.845 2.734 -0.350 1.00 0.00 H new ATOM 489 N THR A 37 3.386 -0.822 4.200 1.00 0.00 N ATOM 490 CA THR A 37 3.219 0.434 4.872 1.00 0.00 C ATOM 491 C THR A 37 2.271 1.331 4.085 1.00 0.00 C ATOM 492 O THR A 37 2.483 1.590 2.891 1.00 0.00 O ATOM 493 CB THR A 37 4.574 1.128 5.068 1.00 0.00 C ATOM 494 OG1 THR A 37 5.459 0.766 3.993 1.00 0.00 O ATOM 495 CG2 THR A 37 5.196 0.727 6.396 1.00 0.00 C ATOM 0 H THR A 37 4.310 -0.957 3.789 1.00 0.00 H new ATOM 0 HA THR A 37 2.787 0.245 5.855 1.00 0.00 H new ATOM 0 HB THR A 37 4.416 2.207 5.070 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.629 1.551 3.431 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.156 1.230 6.515 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.532 1.015 7.211 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.347 -0.352 6.416 1.00 0.00 H new ATOM 503 N GLY A 38 1.216 1.781 4.748 1.00 0.00 N ATOM 504 CA GLY A 38 0.217 2.580 4.083 1.00 0.00 C ATOM 505 C GLY A 38 -0.588 1.741 3.120 1.00 0.00 C ATOM 506 O GLY A 38 -0.886 2.172 2.003 1.00 0.00 O ATOM 0 H GLY A 38 1.037 1.605 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.446 3.030 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.698 3.398 3.546 1.00 0.00 H new ATOM 510 N VAL A 39 -0.913 0.521 3.564 1.00 0.00 N ATOM 511 CA VAL A 39 -1.657 -0.458 2.774 1.00 0.00 C ATOM 512 C VAL A 39 -2.900 0.148 2.105 1.00 0.00 C ATOM 513 O VAL A 39 -3.506 1.092 2.614 1.00 0.00 O ATOM 514 CB VAL A 39 -2.066 -1.682 3.645 1.00 0.00 C ATOM 515 CG1 VAL A 39 -3.145 -1.314 4.656 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.502 -2.853 2.779 1.00 0.00 C ATOM 0 H VAL A 39 -0.662 0.185 4.494 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.986 -0.790 1.982 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.184 -1.992 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.406 -2.193 5.246 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.773 -0.531 5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.030 -0.955 4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.781 -3.692 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.358 -2.558 2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.680 -3.150 2.128 1.00 0.00 H new ATOM 526 N SER A 40 -3.253 -0.402 0.955 1.00 0.00 N ATOM 527 CA SER A 40 -4.381 0.063 0.198 1.00 0.00 C ATOM 528 C SER A 40 -5.677 -0.284 0.917 1.00 0.00 C ATOM 529 O SER A 40 -5.905 -1.440 1.276 1.00 0.00 O ATOM 530 CB SER A 40 -4.353 -0.585 -1.182 1.00 0.00 C ATOM 531 OG SER A 40 -3.056 -0.479 -1.758 1.00 0.00 O ATOM 0 H SER A 40 -2.758 -1.185 0.527 1.00 0.00 H new ATOM 0 HA SER A 40 -4.328 1.147 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.637 -1.634 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.085 -0.104 -1.831 1.00 0.00 H new ATOM 0 HG SER A 40 -2.939 0.416 -2.139 1.00 0.00 H new ATOM 537 N GLN A 41 -6.528 0.714 1.119 1.00 0.00 N ATOM 538 CA GLN A 41 -7.813 0.517 1.796 1.00 0.00 C ATOM 539 C GLN A 41 -8.697 -0.456 1.024 1.00 0.00 C ATOM 540 O GLN A 41 -9.696 -0.941 1.535 1.00 0.00 O ATOM 541 CB GLN A 41 -8.543 1.843 1.955 1.00 0.00 C ATOM 542 CG GLN A 41 -9.028 2.439 0.640 1.00 0.00 C ATOM 543 CD GLN A 41 -9.772 3.742 0.822 1.00 0.00 C ATOM 544 OE1 GLN A 41 -9.478 4.520 1.725 1.00 0.00 O ATOM 545 NE2 GLN A 41 -10.749 3.979 -0.024 1.00 0.00 N ATOM 0 H GLN A 41 -6.354 1.675 0.824 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.605 0.098 2.781 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.398 1.699 2.615 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.879 2.556 2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.173 2.604 -0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.679 1.722 0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.961 3.306 -0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.296 4.836 0.056 1.00 0.00 H new ATOM 554 N GLN A 42 -8.320 -0.721 -0.207 1.00 0.00 N ATOM 555 CA GLN A 42 -9.049 -1.630 -1.062 1.00 0.00 C ATOM 556 C GLN A 42 -9.027 -3.050 -0.496 1.00 0.00 C ATOM 557 O GLN A 42 -9.982 -3.807 -0.659 1.00 0.00 O ATOM 558 CB GLN A 42 -8.456 -1.589 -2.462 1.00 0.00 C ATOM 559 CG GLN A 42 -8.500 -0.202 -3.077 1.00 0.00 C ATOM 560 CD GLN A 42 -7.916 -0.158 -4.462 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.017 -0.924 -4.788 1.00 0.00 O ATOM 562 NE2 GLN A 42 -8.415 0.747 -5.284 1.00 0.00 N ATOM 0 H GLN A 42 -7.495 -0.310 -0.645 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.092 -1.317 -1.109 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.422 -1.933 -2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.000 -2.283 -3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.534 0.142 -3.113 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.956 0.492 -2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.164 1.364 -4.969 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.052 0.829 -6.234 1.00 0.00 H new ATOM 571 N ILE A 43 -7.939 -3.401 0.184 1.00 0.00 N ATOM 572 CA ILE A 43 -7.829 -4.722 0.782 1.00 0.00 C ATOM 573 C ILE A 43 -8.517 -4.761 2.147 1.00 0.00 C ATOM 574 O ILE A 43 -9.113 -5.765 2.524 1.00 0.00 O ATOM 575 CB ILE A 43 -6.341 -5.213 0.894 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.506 -4.341 1.843 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.690 -5.260 -0.478 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.519 -4.803 3.295 1.00 0.00 C ATOM 0 H ILE A 43 -7.132 -2.795 0.332 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.340 -5.413 0.112 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.371 -6.218 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.475 -4.324 1.489 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.876 -3.317 1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.660 -5.602 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.242 -5.948 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.701 -4.264 -0.920 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.905 -4.132 3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.542 -4.793 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.119 -5.815 3.358 1.00 0.00 H new ATOM 590 N ALA A 44 -8.431 -3.655 2.875 1.00 0.00 N ATOM 591 CA ALA A 44 -9.022 -3.561 4.197 1.00 0.00 C ATOM 592 C ALA A 44 -10.498 -3.203 4.122 1.00 0.00 C ATOM 593 O ALA A 44 -11.358 -4.034 4.399 1.00 0.00 O ATOM 594 CB ALA A 44 -8.263 -2.558 5.042 1.00 0.00 C ATOM 0 H ALA A 44 -7.954 -2.808 2.567 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.949 -4.540 4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.717 -2.498 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.225 -2.875 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.300 -1.578 4.565 1.00 0.00 H new ATOM 600 N SER A 45 -10.768 -1.937 3.771 1.00 0.00 N ATOM 601 CA SER A 45 -12.128 -1.398 3.602 1.00 0.00 C ATOM 602 C SER A 45 -12.811 -1.130 4.950 1.00 0.00 C ATOM 603 O SER A 45 -13.767 -0.362 5.030 1.00 0.00 O ATOM 604 CB SER A 45 -12.982 -2.323 2.730 1.00 0.00 C ATOM 605 OG SER A 45 -12.319 -2.615 1.505 1.00 0.00 O ATOM 0 H SER A 45 -10.038 -1.248 3.594 1.00 0.00 H new ATOM 0 HA SER A 45 -12.033 -0.440 3.092 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.188 -3.249 3.267 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.944 -1.852 2.525 1.00 0.00 H new ATOM 0 HG SER A 45 -11.558 -2.008 1.392 1.00 0.00 H new ATOM 611 N SER A 46 -12.303 -1.762 5.994 1.00 0.00 N ATOM 612 CA SER A 46 -12.857 -1.642 7.324 1.00 0.00 C ATOM 613 C SER A 46 -12.658 -0.234 7.913 1.00 0.00 C ATOM 614 O SER A 46 -13.514 0.640 7.760 1.00 0.00 O ATOM 615 CB SER A 46 -12.233 -2.707 8.223 1.00 0.00 C ATOM 616 OG SER A 46 -10.809 -2.693 8.119 1.00 0.00 O ATOM 0 H SER A 46 -11.490 -2.375 5.938 1.00 0.00 H new ATOM 0 HA SER A 46 -13.934 -1.799 7.264 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.527 -2.533 9.258 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.612 -3.690 7.945 1.00 0.00 H new ATOM 0 HG SER A 46 -10.431 -3.382 8.705 1.00 0.00 H new ATOM 622 N VAL A 47 -11.529 -0.018 8.575 1.00 0.00 N ATOM 623 CA VAL A 47 -11.243 1.274 9.193 1.00 0.00 C ATOM 624 C VAL A 47 -9.894 1.825 8.745 1.00 0.00 C ATOM 625 O VAL A 47 -9.715 3.039 8.630 1.00 0.00 O ATOM 626 CB VAL A 47 -11.272 1.201 10.745 1.00 0.00 C ATOM 627 CG1 VAL A 47 -12.657 0.829 11.250 1.00 0.00 C ATOM 628 CG2 VAL A 47 -10.237 0.215 11.263 1.00 0.00 C ATOM 0 H VAL A 47 -10.797 -0.717 8.699 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.034 1.947 8.861 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.024 2.192 11.126 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.648 0.785 12.339 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.377 1.579 10.923 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.941 -0.145 10.850 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.278 0.183 12.352 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.447 -0.777 10.863 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.243 0.531 10.947 1.00 0.00 H new ATOM 638 N VAL A 48 -8.950 0.933 8.487 1.00 0.00 N ATOM 639 CA VAL A 48 -7.626 1.340 8.077 1.00 0.00 C ATOM 640 C VAL A 48 -7.594 1.711 6.593 1.00 0.00 C ATOM 641 O VAL A 48 -7.431 0.862 5.717 1.00 0.00 O ATOM 642 CB VAL A 48 -6.552 0.263 8.421 1.00 0.00 C ATOM 643 CG1 VAL A 48 -6.933 -1.109 7.885 1.00 0.00 C ATOM 644 CG2 VAL A 48 -5.172 0.680 7.922 1.00 0.00 C ATOM 0 H VAL A 48 -9.082 -0.076 8.556 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.373 2.234 8.647 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.510 0.188 9.508 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.158 -1.830 8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.881 -1.420 8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.033 -1.061 6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.445 -0.091 8.177 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.200 0.809 6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.884 1.620 8.392 1.00 0.00 H new ATOM 654 N GLN A 49 -7.823 2.981 6.324 1.00 0.00 N ATOM 655 CA GLN A 49 -7.789 3.485 4.970 1.00 0.00 C ATOM 656 C GLN A 49 -6.359 3.793 4.545 1.00 0.00 C ATOM 657 O GLN A 49 -5.800 3.117 3.696 1.00 0.00 O ATOM 658 CB GLN A 49 -8.678 4.715 4.832 1.00 0.00 C ATOM 659 CG GLN A 49 -10.154 4.420 5.037 1.00 0.00 C ATOM 660 CD GLN A 49 -11.019 5.658 4.950 1.00 0.00 C ATOM 661 OE1 GLN A 49 -10.688 6.619 4.260 1.00 0.00 O ATOM 662 NE2 GLN A 49 -12.141 5.636 5.639 1.00 0.00 N ATOM 0 H GLN A 49 -8.036 3.685 7.031 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.177 2.712 4.306 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.361 5.466 5.556 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.536 5.147 3.842 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.483 3.700 4.288 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.294 3.953 6.012 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.379 4.818 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.772 6.437 5.612 1.00 0.00 H new ATOM 671 N ARG A 50 -5.769 4.814 5.148 1.00 0.00 N ATOM 672 CA ARG A 50 -4.395 5.185 4.841 1.00 0.00 C ATOM 673 C ARG A 50 -3.479 4.829 5.998 1.00 0.00 C ATOM 674 O ARG A 50 -2.267 5.010 5.910 1.00 0.00 O ATOM 675 CB ARG A 50 -4.291 6.698 4.568 1.00 0.00 C ATOM 676 CG ARG A 50 -2.937 7.119 4.013 1.00 0.00 C ATOM 677 CD ARG A 50 -2.798 8.632 3.873 1.00 0.00 C ATOM 678 NE ARG A 50 -2.463 9.292 5.130 1.00 0.00 N ATOM 679 CZ ARG A 50 -1.875 10.498 5.195 1.00 0.00 C ATOM 680 NH1 ARG A 50 -1.692 11.216 4.089 1.00 0.00 N ATOM 681 NH2 ARG A 50 -1.492 10.993 6.358 1.00 0.00 N ATOM 0 H ARG A 50 -6.219 5.400 5.852 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.090 4.634 3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.070 6.987 3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.481 7.241 5.494 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.149 6.746 4.668 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.789 6.654 3.039 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.027 8.854 3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.732 9.043 3.491 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.686 8.814 6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.999 10.851 3.187 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.245 12.131 4.143 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.642 10.459 7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.046 11.909 6.400 1.00 0.00 H new ATOM 695 N ALA A 51 -4.071 4.318 7.083 1.00 0.00 N ATOM 696 CA ALA A 51 -3.352 4.048 8.340 1.00 0.00 C ATOM 697 C ALA A 51 -2.971 5.367 9.014 1.00 0.00 C ATOM 698 O ALA A 51 -3.334 5.614 10.156 1.00 0.00 O ATOM 699 CB ALA A 51 -2.124 3.157 8.123 1.00 0.00 C ATOM 0 H ALA A 51 -5.062 4.079 7.118 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.021 3.495 9.000 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.626 2.985 9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.437 2.202 7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.434 3.649 7.437 1.00 0.00 H new ATOM 705 N ALA A 52 -2.255 6.219 8.282 1.00 0.00 N ATOM 706 CA ALA A 52 -1.887 7.529 8.777 1.00 0.00 C ATOM 707 C ALA A 52 -3.126 8.403 8.929 1.00 0.00 C ATOM 708 O ALA A 52 -4.028 8.384 8.077 1.00 0.00 O ATOM 709 CB ALA A 52 -0.867 8.183 7.872 1.00 0.00 C ATOM 0 H ALA A 52 -1.920 6.017 7.340 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.428 7.411 9.759 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.608 9.166 8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.028 7.563 7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.285 8.292 6.871 1.00 0.00 H new ATOM 715 N GLN A 53 -3.116 9.192 9.977 1.00 0.00 N ATOM 716 CA GLN A 53 -4.257 9.986 10.445 1.00 0.00 C ATOM 717 C GLN A 53 -4.995 10.777 9.351 1.00 0.00 C ATOM 718 O GLN A 53 -6.201 10.660 9.234 1.00 0.00 O ATOM 719 CB GLN A 53 -3.820 10.936 11.576 1.00 0.00 C ATOM 720 CG GLN A 53 -3.185 10.235 12.780 1.00 0.00 C ATOM 721 CD GLN A 53 -1.776 9.735 12.511 1.00 0.00 C ATOM 722 OE1 GLN A 53 -1.018 10.344 11.769 1.00 0.00 O ATOM 723 NE2 GLN A 53 -1.431 8.608 13.086 1.00 0.00 N ATOM 0 H GLN A 53 -2.287 9.312 10.558 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.978 9.255 10.812 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.108 11.657 11.174 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.688 11.501 11.916 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.163 10.925 13.623 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.812 9.393 13.073 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.088 8.126 13.699 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.505 8.213 12.920 1.00 0.00 H new ATOM 732 N SER A 54 -4.266 11.546 8.548 1.00 0.00 N ATOM 733 CA SER A 54 -4.880 12.471 7.575 1.00 0.00 C ATOM 734 C SER A 54 -6.013 11.839 6.753 1.00 0.00 C ATOM 735 O SER A 54 -7.160 12.271 6.832 1.00 0.00 O ATOM 736 CB SER A 54 -3.822 13.056 6.646 1.00 0.00 C ATOM 737 OG SER A 54 -2.760 13.637 7.386 1.00 0.00 O ATOM 0 H SER A 54 -3.246 11.554 8.545 1.00 0.00 H new ATOM 0 HA SER A 54 -5.333 13.267 8.166 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.431 12.273 5.996 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.275 13.809 6.001 1.00 0.00 H new ATOM 0 HG SER A 54 -2.093 14.004 6.768 1.00 0.00 H new ATOM 743 N LEU A 55 -5.693 10.831 5.971 1.00 0.00 N ATOM 744 CA LEU A 55 -6.688 10.216 5.106 1.00 0.00 C ATOM 745 C LEU A 55 -7.476 9.116 5.827 1.00 0.00 C ATOM 746 O LEU A 55 -8.623 8.848 5.494 1.00 0.00 O ATOM 747 CB LEU A 55 -6.015 9.650 3.862 1.00 0.00 C ATOM 748 CG LEU A 55 -6.946 9.173 2.745 1.00 0.00 C ATOM 749 CD1 LEU A 55 -7.829 10.315 2.263 1.00 0.00 C ATOM 750 CD2 LEU A 55 -6.132 8.597 1.588 1.00 0.00 C ATOM 0 H LEU A 55 -4.761 10.420 5.913 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.399 10.990 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.354 10.414 3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.386 8.813 4.164 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.590 8.387 3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.485 9.958 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.432 10.684 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.204 11.122 1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.806 8.261 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.467 9.365 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.541 7.753 1.944 1.00 0.00 H new ATOM 762 N ALA A 56 -6.857 8.490 6.819 1.00 0.00 N ATOM 763 CA ALA A 56 -7.481 7.365 7.507 1.00 0.00 C ATOM 764 C ALA A 56 -8.472 7.777 8.574 1.00 0.00 C ATOM 765 O ALA A 56 -9.305 6.968 8.973 1.00 0.00 O ATOM 766 CB ALA A 56 -6.442 6.446 8.101 1.00 0.00 C ATOM 0 H ALA A 56 -5.930 8.739 7.164 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.045 6.834 6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.936 5.617 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.803 6.058 7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.835 6.999 8.818 1.00 0.00 H new ATOM 772 N SER A 57 -8.370 9.007 9.059 1.00 0.00 N ATOM 773 CA SER A 57 -9.230 9.465 10.139 1.00 0.00 C ATOM 774 C SER A 57 -10.696 9.467 9.722 1.00 0.00 C ATOM 775 O SER A 57 -11.214 10.449 9.189 1.00 0.00 O ATOM 776 CB SER A 57 -8.807 10.847 10.646 1.00 0.00 C ATOM 777 OG SER A 57 -9.359 11.105 11.927 1.00 0.00 O ATOM 0 H SER A 57 -7.703 9.702 8.723 1.00 0.00 H new ATOM 0 HA SER A 57 -9.117 8.758 10.961 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.720 10.904 10.696 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.134 11.613 9.943 1.00 0.00 H new ATOM 0 HG SER A 57 -9.075 11.992 12.233 1.00 0.00 H new ATOM 783 N THR A 58 -11.338 8.343 9.937 1.00 0.00 N ATOM 784 CA THR A 58 -12.731 8.180 9.634 1.00 0.00 C ATOM 785 C THR A 58 -13.526 7.998 10.931 1.00 0.00 C ATOM 786 O THR A 58 -14.640 8.488 11.067 1.00 0.00 O ATOM 787 CB THR A 58 -12.947 6.971 8.679 1.00 0.00 C ATOM 788 OG1 THR A 58 -14.335 6.820 8.369 1.00 0.00 O ATOM 789 CG2 THR A 58 -12.415 5.678 9.293 1.00 0.00 C ATOM 0 H THR A 58 -10.899 7.511 10.331 1.00 0.00 H new ATOM 0 HA THR A 58 -13.089 9.075 9.126 1.00 0.00 H new ATOM 0 HB THR A 58 -12.393 7.172 7.762 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.454 6.057 7.766 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.581 4.852 8.602 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.347 5.780 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.937 5.478 10.229 1.00 0.00 H new ATOM 797 N LEU A 59 -12.922 7.302 11.886 1.00 0.00 N ATOM 798 CA LEU A 59 -13.535 7.071 13.188 1.00 0.00 C ATOM 799 C LEU A 59 -12.640 7.613 14.290 1.00 0.00 C ATOM 800 O LEU A 59 -12.774 7.247 15.459 1.00 0.00 O ATOM 801 CB LEU A 59 -13.769 5.576 13.405 1.00 0.00 C ATOM 802 CG LEU A 59 -14.760 4.905 12.447 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.868 3.422 12.749 1.00 0.00 C ATOM 804 CD2 LEU A 59 -16.128 5.568 12.536 1.00 0.00 C ATOM 0 H LEU A 59 -11.998 6.883 11.781 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.494 7.589 13.217 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.811 5.063 13.323 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.124 5.428 14.425 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.388 5.025 11.430 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.576 2.961 12.060 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.890 2.955 12.632 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -15.216 3.284 13.773 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.816 5.076 11.848 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.509 5.481 13.554 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.040 6.621 12.270 1.00 0.00 H new ATOM 816 N GLY A 60 -11.728 8.490 13.916 1.00 0.00 N ATOM 817 CA GLY A 60 -10.803 9.027 14.880 1.00 0.00 C ATOM 818 C GLY A 60 -9.525 8.220 14.948 1.00 0.00 C ATOM 819 O GLY A 60 -9.261 7.532 15.934 1.00 0.00 O ATOM 0 H GLY A 60 -11.613 8.838 12.964 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.567 10.059 14.620 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.273 9.045 15.863 1.00 0.00 H new ATOM 823 N VAL A 61 -8.745 8.268 13.890 1.00 0.00 N ATOM 824 CA VAL A 61 -7.481 7.560 13.861 1.00 0.00 C ATOM 825 C VAL A 61 -6.389 8.461 14.400 1.00 0.00 C ATOM 826 O VAL A 61 -5.939 9.377 13.728 1.00 0.00 O ATOM 827 CB VAL A 61 -7.115 7.102 12.435 1.00 0.00 C ATOM 828 CG1 VAL A 61 -5.797 6.345 12.426 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.222 6.246 11.847 1.00 0.00 C ATOM 0 H VAL A 61 -8.962 8.788 13.040 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.578 6.670 14.483 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.999 7.992 11.816 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.563 6.034 11.408 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.003 6.992 12.799 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.878 5.465 13.065 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.944 5.933 10.841 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.372 5.366 12.472 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.145 6.824 11.805 1.00 0.00 H new ATOM 839 N ASP A 62 -5.999 8.203 15.625 1.00 0.00 N ATOM 840 CA ASP A 62 -4.985 9.010 16.315 1.00 0.00 C ATOM 841 C ASP A 62 -4.249 8.166 17.318 1.00 0.00 C ATOM 842 O ASP A 62 -3.519 8.666 18.169 1.00 0.00 O ATOM 843 CB ASP A 62 -5.662 10.166 17.051 1.00 0.00 C ATOM 844 CG ASP A 62 -6.434 9.681 18.284 1.00 0.00 C ATOM 845 OD1 ASP A 62 -7.172 8.670 18.178 1.00 0.00 O ATOM 846 OD2 ASP A 62 -6.297 10.304 19.364 1.00 0.00 O ATOM 0 H ASP A 62 -6.366 7.432 16.183 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.283 9.396 15.576 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.910 10.893 17.356 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.344 10.679 16.373 1.00 0.00 H new ATOM 851 N GLY A 63 -4.424 6.905 17.190 1.00 0.00 N ATOM 852 CA GLY A 63 -3.867 5.979 18.130 1.00 0.00 C ATOM 853 C GLY A 63 -4.884 4.950 18.510 1.00 0.00 C ATOM 854 O GLY A 63 -4.612 3.753 18.468 1.00 0.00 O ATOM 0 H GLY A 63 -4.956 6.474 16.434 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.992 5.493 17.698 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.529 6.512 19.019 1.00 0.00 H new ATOM 858 N ASN A 64 -6.080 5.423 18.840 1.00 0.00 N ATOM 859 CA ASN A 64 -7.187 4.548 19.211 1.00 0.00 C ATOM 860 C ASN A 64 -7.565 3.649 18.050 1.00 0.00 C ATOM 861 O ASN A 64 -7.394 2.444 18.114 1.00 0.00 O ATOM 862 CB ASN A 64 -8.399 5.371 19.651 1.00 0.00 C ATOM 863 CG ASN A 64 -8.176 6.081 20.969 1.00 0.00 C ATOM 864 OD1 ASN A 64 -7.472 5.580 21.847 1.00 0.00 O ATOM 865 ND2 ASN A 64 -8.761 7.251 21.113 1.00 0.00 N ATOM 0 H ASN A 64 -6.310 6.417 18.858 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.864 3.927 20.046 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.632 6.107 18.881 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.266 4.716 19.738 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.639 7.779 21.977 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.336 7.630 20.360 1.00 0.00 H new ATOM 872 N ASN A 65 -8.059 4.250 16.978 1.00 0.00 N ATOM 873 CA ASN A 65 -8.440 3.501 15.781 1.00 0.00 C ATOM 874 C ASN A 65 -7.210 3.279 14.888 1.00 0.00 C ATOM 875 O ASN A 65 -7.307 2.763 13.788 1.00 0.00 O ATOM 876 CB ASN A 65 -9.536 4.266 15.017 1.00 0.00 C ATOM 877 CG ASN A 65 -10.191 3.457 13.910 1.00 0.00 C ATOM 878 OD1 ASN A 65 -10.321 2.250 14.003 1.00 0.00 O ATOM 879 ND2 ASN A 65 -10.611 4.133 12.858 1.00 0.00 N ATOM 0 H ASN A 65 -8.207 5.257 16.909 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.833 2.527 16.073 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.303 4.585 15.723 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -9.103 5.169 14.587 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.063 3.644 12.085 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.484 5.144 12.817 1.00 0.00 H new ATOM 886 N LEU A 66 -6.056 3.707 15.382 1.00 0.00 N ATOM 887 CA LEU A 66 -4.794 3.540 14.669 1.00 0.00 C ATOM 888 C LEU A 66 -4.141 2.204 15.020 1.00 0.00 C ATOM 889 O LEU A 66 -4.029 1.316 14.180 1.00 0.00 O ATOM 890 CB LEU A 66 -3.851 4.700 14.999 1.00 0.00 C ATOM 891 CG LEU A 66 -2.417 4.587 14.478 1.00 0.00 C ATOM 892 CD1 LEU A 66 -2.387 4.517 12.960 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.579 5.750 14.978 1.00 0.00 C ATOM 0 H LEU A 66 -5.967 4.177 16.283 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.999 3.543 13.598 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.287 5.617 14.601 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.812 4.810 16.083 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.990 3.660 14.862 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.355 4.437 12.620 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.948 3.645 12.625 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.837 5.419 12.545 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.562 5.655 14.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.011 6.687 14.627 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.562 5.744 16.068 1.00 0.00 H new ATOM 905 N ALA A 67 -3.711 2.077 16.273 1.00 0.00 N ATOM 906 CA ALA A 67 -3.060 0.861 16.740 1.00 0.00 C ATOM 907 C ALA A 67 -4.084 -0.226 16.957 1.00 0.00 C ATOM 908 O ALA A 67 -3.851 -1.399 16.662 1.00 0.00 O ATOM 909 CB ALA A 67 -2.303 1.132 18.030 1.00 0.00 C ATOM 0 H ALA A 67 -3.803 2.804 16.982 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.351 0.530 15.981 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.821 0.215 18.369 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.546 1.896 17.854 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.999 1.480 18.794 1.00 0.00 H new ATOM 915 N ARG A 68 -5.221 0.171 17.468 1.00 0.00 N ATOM 916 CA ARG A 68 -6.296 -0.741 17.726 1.00 0.00 C ATOM 917 C ARG A 68 -7.313 -0.621 16.617 1.00 0.00 C ATOM 918 O ARG A 68 -7.303 0.363 15.884 1.00 0.00 O ATOM 919 CB ARG A 68 -6.922 -0.428 19.078 1.00 0.00 C ATOM 920 CG ARG A 68 -5.941 -0.547 20.231 1.00 0.00 C ATOM 921 CD ARG A 68 -6.514 0.020 21.511 1.00 0.00 C ATOM 922 NE ARG A 68 -5.620 -0.199 22.645 1.00 0.00 N ATOM 923 CZ ARG A 68 -5.952 0.039 23.915 1.00 0.00 C ATOM 924 NH1 ARG A 68 -7.113 0.624 24.204 1.00 0.00 N ATOM 925 NH2 ARG A 68 -5.113 -0.279 24.894 1.00 0.00 N ATOM 0 H ARG A 68 -5.424 1.139 17.716 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.924 -1.765 17.756 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.329 0.583 19.058 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.759 -1.105 19.250 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.681 -1.595 20.381 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.019 -0.022 19.981 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.692 1.088 21.388 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.480 -0.443 21.714 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.684 -0.556 22.454 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.750 0.891 23.454 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.365 0.805 25.176 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.213 -0.706 24.676 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.369 -0.096 25.864 1.00 0.00 H new ATOM 939 N PHE A 69 -8.177 -1.625 16.492 1.00 0.00 N ATOM 940 CA PHE A 69 -9.207 -1.673 15.439 1.00 0.00 C ATOM 941 C PHE A 69 -8.588 -1.845 14.041 1.00 0.00 C ATOM 942 O PHE A 69 -8.820 -2.853 13.382 1.00 0.00 O ATOM 943 CB PHE A 69 -10.108 -0.425 15.479 1.00 0.00 C ATOM 944 CG PHE A 69 -10.831 -0.233 16.784 1.00 0.00 C ATOM 945 CD1 PHE A 69 -12.029 -0.877 17.028 1.00 0.00 C ATOM 946 CD2 PHE A 69 -10.307 0.594 17.767 1.00 0.00 C ATOM 947 CE1 PHE A 69 -12.692 -0.702 18.225 1.00 0.00 C ATOM 948 CE2 PHE A 69 -10.965 0.771 18.965 1.00 0.00 C ATOM 949 CZ PHE A 69 -12.159 0.123 19.195 1.00 0.00 C ATOM 0 H PHE A 69 -8.189 -2.433 17.115 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.825 -2.548 15.640 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.499 0.457 15.280 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.842 -0.493 14.676 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.451 -1.524 16.273 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.372 1.105 17.591 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.628 -1.210 18.403 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.545 1.417 19.722 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.677 0.260 20.133 1.00 0.00 H new ATOM 959 N ALA A 70 -7.785 -0.873 13.617 1.00 0.00 N ATOM 960 CA ALA A 70 -7.144 -0.896 12.304 1.00 0.00 C ATOM 961 C ALA A 70 -6.219 -2.092 12.161 1.00 0.00 C ATOM 962 O ALA A 70 -6.436 -2.961 11.310 1.00 0.00 O ATOM 963 CB ALA A 70 -6.370 0.390 12.084 1.00 0.00 C ATOM 0 H ALA A 70 -7.560 -0.048 14.173 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.924 -0.983 11.548 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.895 0.366 11.103 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.052 1.239 12.136 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.606 0.491 12.855 1.00 0.00 H new ATOM 969 N VAL A 71 -5.193 -2.137 12.998 1.00 0.00 N ATOM 970 CA VAL A 71 -4.237 -3.231 12.973 1.00 0.00 C ATOM 971 C VAL A 71 -4.922 -4.540 13.312 1.00 0.00 C ATOM 972 O VAL A 71 -4.654 -5.563 12.698 1.00 0.00 O ATOM 973 CB VAL A 71 -3.064 -2.986 13.952 1.00 0.00 C ATOM 974 CG1 VAL A 71 -2.060 -4.130 13.890 1.00 0.00 C ATOM 975 CG2 VAL A 71 -2.381 -1.659 13.642 1.00 0.00 C ATOM 0 H VAL A 71 -5.002 -1.426 13.704 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.830 -3.286 11.963 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.467 -2.941 14.964 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.244 -3.936 14.586 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.554 -5.063 14.161 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.662 -4.210 12.878 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.558 -1.502 14.339 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.994 -1.678 12.623 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.101 -0.847 13.742 1.00 0.00 H new ATOM 985 N GLN A 72 -5.840 -4.491 14.264 1.00 0.00 N ATOM 986 CA GLN A 72 -6.557 -5.681 14.697 1.00 0.00 C ATOM 987 C GLN A 72 -7.354 -6.301 13.555 1.00 0.00 C ATOM 988 O GLN A 72 -7.277 -7.493 13.329 1.00 0.00 O ATOM 989 CB GLN A 72 -7.476 -5.365 15.878 1.00 0.00 C ATOM 990 CG GLN A 72 -6.736 -4.966 17.148 1.00 0.00 C ATOM 991 CD GLN A 72 -5.807 -6.055 17.657 1.00 0.00 C ATOM 992 OE1 GLN A 72 -6.057 -7.250 17.464 1.00 0.00 O ATOM 993 NE2 GLN A 72 -4.739 -5.655 18.313 1.00 0.00 N ATOM 0 H GLN A 72 -6.107 -3.637 14.753 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.813 -6.409 15.021 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.151 -4.558 15.594 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.094 -6.238 16.088 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.158 -4.062 16.957 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.462 -4.722 17.924 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.569 -4.659 18.451 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.081 -6.341 18.684 1.00 0.00 H new ATOM 1002 N ALA A 73 -8.092 -5.480 12.826 1.00 0.00 N ATOM 1003 CA ALA A 73 -8.922 -5.957 11.719 1.00 0.00 C ATOM 1004 C ALA A 73 -8.111 -6.750 10.696 1.00 0.00 C ATOM 1005 O ALA A 73 -8.575 -7.762 10.182 1.00 0.00 O ATOM 1006 CB ALA A 73 -9.627 -4.793 11.042 1.00 0.00 C ATOM 0 H ALA A 73 -8.137 -4.472 12.978 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.668 -6.630 12.141 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.240 -5.166 10.221 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.262 -4.282 11.765 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.886 -4.095 10.653 1.00 0.00 H new ATOM 1012 N VAL A 74 -6.902 -6.292 10.411 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.053 -6.964 9.438 1.00 0.00 C ATOM 1014 C VAL A 74 -5.239 -8.093 10.092 1.00 0.00 C ATOM 1015 O VAL A 74 -4.990 -9.129 9.480 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.100 -5.975 8.723 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.330 -6.674 7.611 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -5.878 -4.786 8.173 1.00 0.00 C ATOM 0 H VAL A 74 -6.488 -5.463 10.836 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.717 -7.397 8.690 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.380 -5.607 9.454 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.667 -5.960 7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.740 -7.487 8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.031 -7.076 6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.192 -4.102 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.623 -5.137 7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.376 -4.267 8.992 1.00 0.00 H new ATOM 1028 N SER A 75 -4.846 -7.892 11.336 1.00 0.00 N ATOM 1029 CA SER A 75 -4.067 -8.882 12.063 1.00 0.00 C ATOM 1030 C SER A 75 -4.941 -10.091 12.435 1.00 0.00 C ATOM 1031 O SER A 75 -4.446 -11.208 12.592 1.00 0.00 O ATOM 1032 CB SER A 75 -3.451 -8.246 13.322 1.00 0.00 C ATOM 1033 OG SER A 75 -2.494 -9.103 13.936 1.00 0.00 O ATOM 0 H SER A 75 -5.054 -7.047 11.868 1.00 0.00 H new ATOM 0 HA SER A 75 -3.260 -9.235 11.421 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.975 -7.302 13.056 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.242 -8.014 14.036 1.00 0.00 H new ATOM 0 HG SER A 75 -2.124 -8.664 14.730 1.00 0.00 H new ATOM 1039 N ARG A 76 -6.243 -9.859 12.564 1.00 0.00 N ATOM 1040 CA ARG A 76 -7.188 -10.922 12.904 1.00 0.00 C ATOM 1041 C ARG A 76 -7.906 -11.386 11.656 1.00 0.00 C ATOM 1042 O ARG A 76 -8.855 -12.169 11.714 1.00 0.00 O ATOM 1043 CB ARG A 76 -8.203 -10.437 13.954 1.00 0.00 C ATOM 1044 CG ARG A 76 -7.562 -9.820 15.187 1.00 0.00 C ATOM 1045 CD ARG A 76 -6.391 -10.645 15.669 1.00 0.00 C ATOM 1046 NE ARG A 76 -5.611 -9.950 16.696 1.00 0.00 N ATOM 1047 CZ ARG A 76 -4.504 -10.441 17.258 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -4.067 -11.653 16.933 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -3.838 -9.720 18.149 1.00 0.00 N ATOM 0 H ARG A 76 -6.671 -8.942 12.438 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.633 -11.758 13.330 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.865 -9.703 13.494 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.824 -11.278 14.261 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.227 -8.809 14.958 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.303 -9.738 15.982 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.755 -11.591 16.070 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.745 -10.884 14.824 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.934 -9.032 17.001 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.578 -12.213 16.251 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.221 -12.023 17.366 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.171 -8.791 18.405 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.992 -10.095 18.579 1.00 0.00 H new ATOM 1063 N LEU A 77 -7.431 -10.913 10.536 1.00 0.00 N ATOM 1064 CA LEU A 77 -7.999 -11.230 9.253 1.00 0.00 C ATOM 1065 C LEU A 77 -7.474 -12.583 8.771 1.00 0.00 C ATOM 1066 O LEU A 77 -6.260 -12.797 8.709 1.00 0.00 O ATOM 1067 CB LEU A 77 -7.635 -10.110 8.277 1.00 0.00 C ATOM 1068 CG LEU A 77 -8.231 -10.158 6.876 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -8.278 -8.752 6.310 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -7.393 -11.052 5.972 1.00 0.00 C ATOM 0 H LEU A 77 -6.627 -10.287 10.488 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.084 -11.305 9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.927 -9.163 8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.550 -10.094 8.177 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.239 -10.569 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.704 -8.778 5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.896 -8.122 6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.268 -8.344 6.265 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.833 -11.075 4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.378 -10.660 5.912 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.368 -12.062 6.381 1.00 0.00 H new ATOM 1171 N TYR A 86 -3.502 -10.187 -1.240 1.00 0.00 N ATOM 1172 CA TYR A 86 -3.693 -8.853 -0.723 1.00 0.00 C ATOM 1173 C TYR A 86 -2.612 -7.925 -1.263 1.00 0.00 C ATOM 1174 O TYR A 86 -1.846 -8.300 -2.153 1.00 0.00 O ATOM 1175 CB TYR A 86 -3.682 -8.863 0.816 1.00 0.00 C ATOM 1176 CG TYR A 86 -5.049 -9.066 1.444 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -5.961 -9.974 0.915 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -5.425 -8.340 2.567 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -7.208 -10.148 1.486 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -6.666 -8.508 3.146 1.00 0.00 C ATOM 1181 CZ TYR A 86 -7.557 -9.414 2.600 1.00 0.00 C ATOM 1182 OH TYR A 86 -8.803 -9.583 3.170 1.00 0.00 O ATOM 0 HA TYR A 86 -4.665 -8.485 -1.052 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.015 -9.654 1.159 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.267 -7.920 1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.690 -10.552 0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.733 -7.630 2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.905 -10.855 1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.940 -7.936 4.020 1.00 0.00 H new ATOM 0 HH TYR A 86 -9.109 -10.502 3.021 1.00 0.00 H new ATOM 1192 N ALA A 87 -2.538 -6.726 -0.720 1.00 0.00 N ATOM 1193 CA ALA A 87 -1.548 -5.744 -1.149 1.00 0.00 C ATOM 1194 C ALA A 87 -0.172 -6.064 -0.557 1.00 0.00 C ATOM 1195 O ALA A 87 0.533 -5.176 -0.087 1.00 0.00 O ATOM 1196 CB ALA A 87 -1.998 -4.354 -0.731 1.00 0.00 C ATOM 0 H ALA A 87 -3.154 -6.402 0.025 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.461 -5.781 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.258 -3.620 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.958 -4.128 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.101 -4.316 0.353 1.00 0.00 H new ATOM 1202 N GLN A 88 0.202 -7.332 -0.607 1.00 0.00 N ATOM 1203 CA GLN A 88 1.454 -7.791 -0.047 1.00 0.00 C ATOM 1204 C GLN A 88 2.568 -7.714 -1.081 1.00 0.00 C ATOM 1205 O GLN A 88 3.525 -6.968 -0.924 1.00 0.00 O ATOM 1206 CB GLN A 88 1.284 -9.236 0.426 1.00 0.00 C ATOM 1207 CG GLN A 88 2.484 -9.813 1.152 1.00 0.00 C ATOM 1208 CD GLN A 88 2.822 -9.064 2.424 1.00 0.00 C ATOM 1209 OE1 GLN A 88 3.964 -9.020 2.831 1.00 0.00 O ATOM 1210 NE2 GLN A 88 1.826 -8.481 3.062 1.00 0.00 N ATOM 0 H GLN A 88 -0.357 -8.069 -1.038 1.00 0.00 H new ATOM 0 HA GLN A 88 1.725 -7.152 0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.418 -9.288 1.086 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.064 -9.863 -0.438 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.288 -10.858 1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.347 -9.796 0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.878 -8.539 2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.003 -7.972 3.928 1.00 0.00 H new ATOM 1219 N ALA A 89 2.407 -8.453 -2.164 1.00 0.00 N ATOM 1220 CA ALA A 89 3.414 -8.497 -3.207 1.00 0.00 C ATOM 1221 C ALA A 89 3.407 -7.217 -4.023 1.00 0.00 C ATOM 1222 O ALA A 89 4.428 -6.809 -4.571 1.00 0.00 O ATOM 1223 CB ALA A 89 3.187 -9.705 -4.100 1.00 0.00 C ATOM 0 H ALA A 89 1.586 -9.032 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 89 4.394 -8.588 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.948 -9.729 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.250 -10.615 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 89 2.200 -9.639 -4.558 1.00 0.00 H new ATOM 1229 N PHE A 90 2.254 -6.567 -4.071 1.00 0.00 N ATOM 1230 CA PHE A 90 2.094 -5.340 -4.838 1.00 0.00 C ATOM 1231 C PHE A 90 2.683 -4.139 -4.108 1.00 0.00 C ATOM 1232 O PHE A 90 2.588 -3.013 -4.589 1.00 0.00 O ATOM 1233 CB PHE A 90 0.616 -5.089 -5.147 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.001 -6.129 -6.033 1.00 0.00 C ATOM 1235 CD1 PHE A 90 0.174 -6.076 -7.406 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.751 -7.163 -5.494 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -0.387 -7.032 -8.227 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.314 -8.123 -6.310 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.132 -8.057 -7.680 1.00 0.00 C ATOM 0 H PHE A 90 1.410 -6.871 -3.585 1.00 0.00 H new ATOM 0 HA PHE A 90 2.640 -5.467 -5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.060 -5.047 -4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.514 -4.113 -5.622 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.757 -5.276 -7.839 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.896 -7.218 -4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.244 -6.979 -9.296 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.896 -8.925 -5.880 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.572 -8.807 -8.321 1.00 0.00 H new ATOM 1249 N SER A 91 3.305 -4.394 -2.959 1.00 0.00 N ATOM 1250 CA SER A 91 3.901 -3.347 -2.136 1.00 0.00 C ATOM 1251 C SER A 91 4.818 -2.431 -2.961 1.00 0.00 C ATOM 1252 O SER A 91 4.800 -1.218 -2.793 1.00 0.00 O ATOM 1253 CB SER A 91 4.681 -3.976 -0.972 1.00 0.00 C ATOM 1254 OG SER A 91 5.296 -2.986 -0.164 1.00 0.00 O ATOM 0 H SER A 91 3.409 -5.332 -2.573 1.00 0.00 H new ATOM 0 HA SER A 91 3.094 -2.732 -1.738 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.006 -4.577 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.442 -4.651 -1.365 1.00 0.00 H new ATOM 0 HG SER A 91 6.260 -2.973 -0.339 1.00 0.00 H new ATOM 1260 N SER A 92 5.583 -3.020 -3.868 1.00 0.00 N ATOM 1261 CA SER A 92 6.519 -2.273 -4.697 1.00 0.00 C ATOM 1262 C SER A 92 5.827 -1.164 -5.506 1.00 0.00 C ATOM 1263 O SER A 92 6.266 -0.011 -5.496 1.00 0.00 O ATOM 1264 CB SER A 92 7.243 -3.226 -5.640 1.00 0.00 C ATOM 1265 OG SER A 92 7.797 -4.312 -4.925 1.00 0.00 O ATOM 0 H SER A 92 5.573 -4.024 -4.050 1.00 0.00 H new ATOM 0 HA SER A 92 7.234 -1.790 -4.030 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.549 -3.597 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.032 -2.692 -6.169 1.00 0.00 H new ATOM 0 HG SER A 92 8.223 -4.933 -5.552 1.00 0.00 H new ATOM 1271 N ALA A 93 4.746 -1.515 -6.186 1.00 0.00 N ATOM 1272 CA ALA A 93 4.044 -0.569 -7.045 1.00 0.00 C ATOM 1273 C ALA A 93 3.105 0.323 -6.249 1.00 0.00 C ATOM 1274 O ALA A 93 2.757 1.411 -6.686 1.00 0.00 O ATOM 1275 CB ALA A 93 3.276 -1.312 -8.130 1.00 0.00 C ATOM 0 H ALA A 93 4.334 -2.448 -6.161 1.00 0.00 H new ATOM 0 HA ALA A 93 4.791 0.073 -7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.756 -0.594 -8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.972 -1.894 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.550 -1.981 -7.668 1.00 0.00 H new ATOM 1281 N LEU A 94 2.687 -0.152 -5.095 1.00 0.00 N ATOM 1282 CA LEU A 94 1.767 0.592 -4.256 1.00 0.00 C ATOM 1283 C LEU A 94 2.486 1.604 -3.361 1.00 0.00 C ATOM 1284 O LEU A 94 1.918 2.635 -2.997 1.00 0.00 O ATOM 1285 CB LEU A 94 0.933 -0.363 -3.417 1.00 0.00 C ATOM 1286 CG LEU A 94 0.106 -1.379 -4.201 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -0.673 -2.269 -3.260 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -0.825 -0.680 -5.174 1.00 0.00 C ATOM 0 H LEU A 94 2.970 -1.055 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 94 1.110 1.159 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.599 -0.904 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.259 0.224 -2.793 1.00 0.00 H new ATOM 0 HG LEU A 94 0.789 -2.004 -4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.256 -2.987 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.019 -2.804 -2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.344 -1.660 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.404 -1.424 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.502 -0.026 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.239 -0.087 -5.877 1.00 0.00 H new ATOM 1300 N PHE A 95 3.719 1.298 -2.985 1.00 0.00 N ATOM 1301 CA PHE A 95 4.495 2.189 -2.130 1.00 0.00 C ATOM 1302 C PHE A 95 5.120 3.307 -2.953 1.00 0.00 C ATOM 1303 O PHE A 95 5.177 4.453 -2.511 1.00 0.00 O ATOM 1304 CB PHE A 95 5.579 1.403 -1.374 1.00 0.00 C ATOM 1305 CG PHE A 95 6.313 2.213 -0.340 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.685 2.586 0.839 1.00 0.00 C ATOM 1307 CD2 PHE A 95 7.632 2.600 -0.544 1.00 0.00 C ATOM 1308 CE1 PHE A 95 6.352 3.330 1.793 1.00 0.00 C ATOM 1309 CE2 PHE A 95 8.304 3.343 0.408 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.662 3.710 1.576 1.00 0.00 C ATOM 0 H PHE A 95 4.204 0.443 -3.257 1.00 0.00 H new ATOM 0 HA PHE A 95 3.822 2.636 -1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 95 5.117 0.544 -0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.299 1.013 -2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.661 2.291 1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.137 2.317 -1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.850 3.614 2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.330 3.637 0.240 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.185 4.294 2.319 1.00 0.00 H new ATOM 1320 N ASN A 96 5.576 2.954 -4.159 1.00 0.00 N ATOM 1321 CA ASN A 96 6.198 3.906 -5.091 1.00 0.00 C ATOM 1322 C ASN A 96 7.497 4.482 -4.538 1.00 0.00 C ATOM 1323 O ASN A 96 7.503 5.489 -3.825 1.00 0.00 O ATOM 1324 CB ASN A 96 5.227 5.039 -5.491 1.00 0.00 C ATOM 1325 CG ASN A 96 4.104 4.579 -6.405 1.00 0.00 C ATOM 1326 OD1 ASN A 96 2.982 5.078 -6.325 1.00 0.00 O ATOM 1327 ND2 ASN A 96 4.401 3.658 -7.305 1.00 0.00 N ATOM 0 H ASN A 96 5.525 2.001 -4.519 1.00 0.00 H new ATOM 0 HA ASN A 96 6.441 3.341 -5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.796 5.473 -4.589 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.789 5.830 -5.988 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.689 3.339 -7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.342 3.266 -7.342 1.00 0.00 H new ATOM 1334 N ALA A 97 8.600 3.829 -4.866 1.00 0.00 N ATOM 1335 CA ALA A 97 9.913 4.280 -4.433 1.00 0.00 C ATOM 1336 C ALA A 97 10.504 5.253 -5.452 1.00 0.00 C ATOM 1337 O ALA A 97 11.518 5.898 -5.199 1.00 0.00 O ATOM 1338 CB ALA A 97 10.836 3.088 -4.229 1.00 0.00 C ATOM 0 H ALA A 97 8.612 2.981 -5.433 1.00 0.00 H new ATOM 0 HA ALA A 97 9.809 4.803 -3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.816 3.438 -3.905 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.416 2.429 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.938 2.542 -5.167 1.00 0.00 H new ATOM 1344 N GLY A 98 9.859 5.338 -6.612 1.00 0.00 N ATOM 1345 CA GLY A 98 10.291 6.241 -7.674 1.00 0.00 C ATOM 1346 C GLY A 98 11.523 5.762 -8.410 1.00 0.00 C ATOM 1347 O GLY A 98 12.057 6.461 -9.269 1.00 0.00 O ATOM 0 H GLY A 98 9.030 4.789 -6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.477 6.365 -8.388 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.492 7.223 -7.246 1.00 0.00 H new ATOM 1351 N VAL A 99 11.976 4.585 -8.067 1.00 0.00 N ATOM 1352 CA VAL A 99 13.113 3.978 -8.729 1.00 0.00 C ATOM 1353 C VAL A 99 12.614 2.957 -9.736 1.00 0.00 C ATOM 1354 O VAL A 99 13.323 2.562 -10.659 1.00 0.00 O ATOM 1355 CB VAL A 99 14.040 3.290 -7.697 1.00 0.00 C ATOM 1356 CG1 VAL A 99 13.313 2.167 -6.979 1.00 0.00 C ATOM 1357 CG2 VAL A 99 15.323 2.782 -8.343 1.00 0.00 C ATOM 0 H VAL A 99 11.572 4.017 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 99 13.685 4.753 -9.240 1.00 0.00 H new ATOM 0 HB VAL A 99 14.321 4.041 -6.959 1.00 0.00 H new ATOM 0 HG11 VAL A 99 13.985 1.700 -6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.446 2.571 -6.456 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.985 1.423 -7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.947 2.306 -7.587 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.077 2.058 -9.120 1.00 0.00 H new ATOM 0 HG23 VAL A 99 15.864 3.619 -8.785 1.00 0.00 H new ATOM 1367 N LEU A 100 11.348 2.628 -9.599 1.00 0.00 N ATOM 1368 CA LEU A 100 10.715 1.581 -10.380 1.00 0.00 C ATOM 1369 C LEU A 100 10.295 2.070 -11.755 1.00 0.00 C ATOM 1370 O LEU A 100 10.497 3.234 -12.098 1.00 0.00 O ATOM 1371 CB LEU A 100 9.508 1.016 -9.609 1.00 0.00 C ATOM 1372 CG LEU A 100 8.536 2.039 -8.987 1.00 0.00 C ATOM 1373 CD1 LEU A 100 7.780 2.813 -10.050 1.00 0.00 C ATOM 1374 CD2 LEU A 100 7.570 1.345 -8.050 1.00 0.00 C ATOM 0 H LEU A 100 10.720 3.083 -8.936 1.00 0.00 H new ATOM 0 HA LEU A 100 11.447 0.788 -10.536 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.941 0.378 -10.287 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.885 0.377 -8.810 1.00 0.00 H new ATOM 0 HG LEU A 100 9.129 2.755 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.106 3.523 -9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.488 3.352 -10.680 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.203 2.121 -10.663 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.890 2.080 -7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.997 0.601 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.127 0.853 -7.252 1.00 0.00 H new ATOM 1386 N ASN A 101 9.693 1.173 -12.527 1.00 0.00 N ATOM 1387 CA ASN A 101 9.294 1.463 -13.882 1.00 0.00 C ATOM 1388 C ASN A 101 8.155 2.472 -13.913 1.00 0.00 C ATOM 1389 O ASN A 101 7.026 2.167 -13.524 1.00 0.00 O ATOM 1390 CB ASN A 101 8.890 0.173 -14.595 1.00 0.00 C ATOM 1391 CG ASN A 101 8.471 0.409 -16.025 1.00 0.00 C ATOM 1392 OD1 ASN A 101 8.938 1.348 -16.676 1.00 0.00 O ATOM 1393 ND2 ASN A 101 7.591 -0.431 -16.524 1.00 0.00 N ATOM 0 H ASN A 101 9.471 0.225 -12.222 1.00 0.00 H new ATOM 0 HA ASN A 101 10.143 1.904 -14.404 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.726 -0.526 -14.576 1.00 0.00 H new ATOM 0 HB3 ASN A 101 8.069 -0.296 -14.052 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.268 -0.320 -17.485 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.231 -1.193 -15.950 1.00 0.00 H new ATOM 1400 N ALA A 102 8.465 3.664 -14.385 1.00 0.00 N ATOM 1401 CA ALA A 102 7.503 4.753 -14.446 1.00 0.00 C ATOM 1402 C ALA A 102 6.416 4.488 -15.477 1.00 0.00 C ATOM 1403 O ALA A 102 5.294 4.975 -15.346 1.00 0.00 O ATOM 1404 CB ALA A 102 8.210 6.061 -14.752 1.00 0.00 C ATOM 0 H ALA A 102 9.391 3.907 -14.738 1.00 0.00 H new ATOM 0 HA ALA A 102 7.022 4.824 -13.470 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.479 6.868 -14.795 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.939 6.273 -13.969 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.721 5.983 -15.712 1.00 0.00 H new ATOM 1410 N SER A 103 6.736 3.691 -16.490 1.00 0.00 N ATOM 1411 CA SER A 103 5.774 3.417 -17.540 1.00 0.00 C ATOM 1412 C SER A 103 4.706 2.469 -17.032 1.00 0.00 C ATOM 1413 O SER A 103 3.574 2.507 -17.477 1.00 0.00 O ATOM 1414 CB SER A 103 6.460 2.864 -18.801 1.00 0.00 C ATOM 1415 OG SER A 103 7.120 1.636 -18.548 1.00 0.00 O ATOM 0 H SER A 103 7.640 3.232 -16.603 1.00 0.00 H new ATOM 0 HA SER A 103 5.297 4.355 -17.822 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.717 2.722 -19.586 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.180 3.593 -19.172 1.00 0.00 H new ATOM 0 HG SER A 103 7.983 1.811 -18.117 1.00 0.00 H new ATOM 1421 N ASN A 104 5.077 1.648 -16.062 1.00 0.00 N ATOM 1422 CA ASN A 104 4.154 0.709 -15.447 1.00 0.00 C ATOM 1423 C ASN A 104 3.016 1.466 -14.755 1.00 0.00 C ATOM 1424 O ASN A 104 1.834 1.157 -14.945 1.00 0.00 O ATOM 1425 CB ASN A 104 4.928 -0.165 -14.450 1.00 0.00 C ATOM 1426 CG ASN A 104 4.053 -0.951 -13.489 1.00 0.00 C ATOM 1427 OD1 ASN A 104 2.951 -1.370 -13.823 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.555 -1.156 -12.283 1.00 0.00 N ATOM 0 H ASN A 104 6.022 1.614 -15.681 1.00 0.00 H new ATOM 0 HA ASN A 104 3.709 0.068 -16.208 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.552 -0.864 -15.007 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.599 0.471 -13.873 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.020 -1.680 -11.590 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.477 -0.790 -12.045 1.00 0.00 H new ATOM 1435 N ILE A 105 3.379 2.487 -13.993 1.00 0.00 N ATOM 1436 CA ILE A 105 2.398 3.292 -13.275 1.00 0.00 C ATOM 1437 C ILE A 105 1.611 4.174 -14.229 1.00 0.00 C ATOM 1438 O ILE A 105 0.435 4.448 -14.007 1.00 0.00 O ATOM 1439 CB ILE A 105 3.056 4.132 -12.120 1.00 0.00 C ATOM 1440 CG1 ILE A 105 3.336 3.252 -10.885 1.00 0.00 C ATOM 1441 CG2 ILE A 105 2.203 5.332 -11.727 1.00 0.00 C ATOM 1442 CD1 ILE A 105 4.370 2.167 -11.104 1.00 0.00 C ATOM 0 H ILE A 105 4.346 2.779 -13.855 1.00 0.00 H new ATOM 0 HA ILE A 105 1.697 2.604 -12.803 1.00 0.00 H new ATOM 0 HB ILE A 105 4.003 4.509 -12.505 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.668 3.892 -10.067 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.403 2.787 -10.568 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.697 5.883 -10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.074 5.985 -12.590 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.228 4.988 -11.383 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.502 1.599 -10.183 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.034 1.499 -11.897 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.319 2.621 -11.389 1.00 0.00 H new ATOM 1454 N ASP A 106 2.235 4.593 -15.295 1.00 0.00 N ATOM 1455 CA ASP A 106 1.526 5.365 -16.288 1.00 0.00 C ATOM 1456 C ASP A 106 0.537 4.477 -17.030 1.00 0.00 C ATOM 1457 O ASP A 106 -0.605 4.842 -17.229 1.00 0.00 O ATOM 1458 CB ASP A 106 2.489 6.012 -17.282 1.00 0.00 C ATOM 1459 CG ASP A 106 1.757 6.688 -18.426 1.00 0.00 C ATOM 1460 OD1 ASP A 106 1.250 7.816 -18.236 1.00 0.00 O ATOM 1461 OD2 ASP A 106 1.682 6.095 -19.522 1.00 0.00 O ATOM 0 H ASP A 106 3.219 4.419 -15.501 1.00 0.00 H new ATOM 0 HA ASP A 106 0.986 6.160 -15.773 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.107 6.745 -16.763 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.162 5.253 -17.681 1.00 0.00 H new ATOM 1466 N THR A 107 0.975 3.284 -17.380 1.00 0.00 N ATOM 1467 CA THR A 107 0.164 2.379 -18.175 1.00 0.00 C ATOM 1468 C THR A 107 -1.012 1.804 -17.391 1.00 0.00 C ATOM 1469 O THR A 107 -2.160 1.950 -17.799 1.00 0.00 O ATOM 1470 CB THR A 107 1.013 1.233 -18.775 1.00 0.00 C ATOM 1471 OG1 THR A 107 2.006 1.781 -19.654 1.00 0.00 O ATOM 1472 CG2 THR A 107 0.141 0.252 -19.552 1.00 0.00 C ATOM 0 H THR A 107 1.892 2.916 -17.126 1.00 0.00 H new ATOM 0 HA THR A 107 -0.243 2.977 -18.990 1.00 0.00 H new ATOM 0 HB THR A 107 1.491 0.698 -17.955 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.746 2.145 -19.125 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.764 -0.543 -19.962 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.605 -0.180 -18.884 1.00 0.00 H new ATOM 0 HG23 THR A 107 -0.361 0.776 -20.365 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.743 1.169 -16.269 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.818 0.546 -15.519 1.00 0.00 C ATOM 1482 C LEU A 108 -2.026 1.176 -14.156 1.00 0.00 C ATOM 1483 O LEU A 108 -3.040 0.939 -13.510 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.597 -0.967 -15.411 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.287 -1.438 -14.752 1.00 0.00 C ATOM 1486 CD1 LEU A 108 -0.358 -1.339 -13.230 1.00 0.00 C ATOM 1487 CD2 LEU A 108 0.030 -2.858 -15.175 1.00 0.00 C ATOM 0 H LEU A 108 0.187 1.070 -15.862 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.738 0.721 -16.076 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.430 -1.392 -14.850 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.641 -1.388 -16.415 1.00 0.00 H new ATOM 0 HG LEU A 108 0.513 -0.779 -15.089 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.583 -1.680 -12.799 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.536 -0.303 -12.941 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.172 -1.963 -12.862 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.958 -3.180 -14.703 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.781 -3.519 -14.868 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.141 -2.899 -16.259 1.00 0.00 H new ATOM 1499 N GLY A 109 -1.085 1.976 -13.724 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.209 2.608 -12.431 1.00 0.00 C ATOM 1501 C GLY A 109 -2.362 3.588 -12.380 1.00 0.00 C ATOM 1502 O GLY A 109 -3.334 3.376 -11.664 1.00 0.00 O ATOM 0 H GLY A 109 -0.235 2.205 -14.239 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.351 1.843 -11.667 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.281 3.129 -12.193 1.00 0.00 H new ATOM 1506 N SER A 110 -2.264 4.647 -13.151 1.00 0.00 N ATOM 1507 CA SER A 110 -3.289 5.672 -13.171 1.00 0.00 C ATOM 1508 C SER A 110 -4.548 5.199 -13.910 1.00 0.00 C ATOM 1509 O SER A 110 -5.630 5.761 -13.736 1.00 0.00 O ATOM 1510 CB SER A 110 -2.731 6.938 -13.817 1.00 0.00 C ATOM 1511 OG SER A 110 -2.084 6.626 -15.039 1.00 0.00 O ATOM 0 H SER A 110 -1.479 4.824 -13.778 1.00 0.00 H new ATOM 0 HA SER A 110 -3.580 5.887 -12.143 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.538 7.648 -13.997 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.027 7.420 -13.138 1.00 0.00 H new ATOM 0 HG SER A 110 -1.733 7.447 -15.442 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.397 4.171 -14.730 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.516 3.634 -15.498 1.00 0.00 C ATOM 1519 C ARG A 111 -6.303 2.576 -14.725 1.00 0.00 C ATOM 1520 O ARG A 111 -7.503 2.722 -14.500 1.00 0.00 O ATOM 1521 CB ARG A 111 -5.038 3.054 -16.832 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.873 4.085 -17.937 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.652 4.976 -17.743 1.00 0.00 C ATOM 1524 NE ARG A 111 -3.708 6.131 -18.658 1.00 0.00 N ATOM 1525 CZ ARG A 111 -2.701 6.580 -19.420 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -1.501 6.044 -19.336 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -2.908 7.591 -20.252 1.00 0.00 N ATOM 0 H ARG A 111 -3.511 3.689 -14.883 1.00 0.00 H new ATOM 0 HA ARG A 111 -6.187 4.471 -15.689 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.084 2.550 -16.675 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.749 2.296 -17.161 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.793 3.572 -18.896 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.767 4.707 -17.982 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.608 5.323 -16.711 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.743 4.403 -17.926 1.00 0.00 H new ATOM 0 HE ARG A 111 -4.593 6.634 -18.716 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.329 5.278 -18.685 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.743 6.395 -19.922 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.830 8.023 -20.310 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -2.145 7.937 -20.834 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.618 1.523 -14.316 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.259 0.395 -13.646 1.00 0.00 C ATOM 1543 C VAL A 112 -6.485 0.687 -12.164 1.00 0.00 C ATOM 1544 O VAL A 112 -7.605 0.590 -11.667 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.420 -0.897 -13.816 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.068 -2.070 -13.110 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.228 -1.208 -15.293 1.00 0.00 C ATOM 0 H VAL A 112 -4.610 1.421 -14.435 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.231 0.243 -14.115 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.445 -0.729 -13.359 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -5.456 -2.961 -13.248 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.156 -1.851 -12.046 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.060 -2.243 -13.528 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.637 -2.118 -15.399 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.201 -1.350 -15.764 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.709 -0.380 -15.775 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.417 1.046 -11.461 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.524 1.398 -10.048 1.00 0.00 C ATOM 1559 C LEU A 113 -6.315 2.693 -9.922 1.00 0.00 C ATOM 1560 O LEU A 113 -7.199 2.818 -9.076 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.128 1.550 -9.402 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.329 0.254 -9.142 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -3.030 -0.493 -10.436 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -2.034 0.574 -8.413 1.00 0.00 C ATOM 0 H LEU A 113 -4.472 1.101 -11.842 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.041 0.597 -9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.527 2.195 -10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.250 2.069 -8.451 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.944 -0.394 -8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.467 -1.399 -10.211 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -3.966 -0.760 -10.927 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.443 0.145 -11.097 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.479 -0.347 -8.235 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.431 1.249 -9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.261 1.050 -7.459 1.00 0.00 H new ATOM 1576 N SER A 114 -5.956 3.644 -10.784 1.00 0.00 N ATOM 1577 CA SER A 114 -6.631 4.934 -10.944 1.00 0.00 C ATOM 1578 C SER A 114 -6.946 5.638 -9.609 1.00 0.00 C ATOM 1579 O SER A 114 -6.121 6.405 -9.095 1.00 0.00 O ATOM 1580 CB SER A 114 -7.896 4.769 -11.810 1.00 0.00 C ATOM 1581 OG SER A 114 -8.264 5.996 -12.423 1.00 0.00 O ATOM 0 H SER A 114 -5.160 3.535 -11.412 1.00 0.00 H new ATOM 0 HA SER A 114 -5.931 5.593 -11.457 1.00 0.00 H new ATOM 0 HB2 SER A 114 -7.719 4.015 -12.577 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.718 4.408 -11.192 1.00 0.00 H new ATOM 0 HG SER A 114 -7.538 6.300 -13.007 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.123 5.358 -9.048 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.574 5.991 -7.815 1.00 0.00 C ATOM 1589 C ALA A 115 -7.616 5.721 -6.665 1.00 0.00 C ATOM 1590 O ALA A 115 -7.396 6.587 -5.815 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.972 5.516 -7.465 1.00 0.00 C ATOM 0 H ALA A 115 -8.786 4.688 -9.437 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.595 7.068 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.299 5.995 -6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.657 5.776 -8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.966 4.434 -7.329 1.00 0.00 H new ATOM 1597 N LEU A 116 -7.033 4.528 -6.651 1.00 0.00 N ATOM 1598 CA LEU A 116 -6.094 4.162 -5.605 1.00 0.00 C ATOM 1599 C LEU A 116 -4.884 5.084 -5.629 1.00 0.00 C ATOM 1600 O LEU A 116 -4.518 5.662 -4.610 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.644 2.701 -5.748 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.612 2.221 -4.713 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -5.183 2.276 -3.304 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.134 0.816 -5.037 1.00 0.00 C ATOM 0 H LEU A 116 -7.195 3.803 -7.350 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.604 4.270 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.523 2.060 -5.682 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.224 2.564 -6.744 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.757 2.895 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.432 1.931 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.465 3.302 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.062 1.635 -3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.405 0.499 -4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.983 0.132 -5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.671 0.808 -6.024 1.00 0.00 H new ATOM 1616 N LEU A 117 -4.288 5.253 -6.804 1.00 0.00 N ATOM 1617 CA LEU A 117 -3.101 6.083 -6.927 1.00 0.00 C ATOM 1618 C LEU A 117 -3.403 7.554 -6.714 1.00 0.00 C ATOM 1619 O LEU A 117 -2.528 8.307 -6.339 1.00 0.00 O ATOM 1620 CB LEU A 117 -2.381 5.863 -8.255 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.649 4.525 -8.400 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -0.743 4.551 -9.613 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.844 4.202 -7.144 1.00 0.00 C ATOM 0 H LEU A 117 -4.605 4.830 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.428 5.768 -6.129 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.110 5.946 -9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.659 6.668 -8.394 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.396 3.742 -8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.229 3.594 -9.704 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.339 4.730 -10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.008 5.348 -9.501 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.335 3.247 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.107 4.986 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.515 4.141 -6.287 1.00 0.00 H new ATOM 1635 N ASN A 118 -4.640 7.959 -6.939 1.00 0.00 N ATOM 1636 CA ASN A 118 -5.020 9.353 -6.712 1.00 0.00 C ATOM 1637 C ASN A 118 -4.939 9.695 -5.229 1.00 0.00 C ATOM 1638 O ASN A 118 -4.535 10.798 -4.854 1.00 0.00 O ATOM 1639 CB ASN A 118 -6.418 9.648 -7.258 1.00 0.00 C ATOM 1640 CG ASN A 118 -6.392 10.080 -8.714 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -6.317 11.270 -9.018 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -6.446 9.127 -9.620 1.00 0.00 N ATOM 0 H ASN A 118 -5.393 7.358 -7.274 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.314 9.983 -7.253 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -7.040 8.758 -7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.882 10.431 -6.658 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.426 9.364 -10.612 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.508 8.151 -9.330 1.00 0.00 H new ATOM 1649 N GLY A 119 -5.304 8.737 -4.391 1.00 0.00 N ATOM 1650 CA GLY A 119 -5.226 8.938 -2.960 1.00 0.00 C ATOM 1651 C GLY A 119 -3.850 8.598 -2.417 1.00 0.00 C ATOM 1652 O GLY A 119 -3.322 9.294 -1.551 1.00 0.00 O ATOM 0 H GLY A 119 -5.653 7.822 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -5.463 9.976 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.975 8.320 -2.465 1.00 0.00 H new ATOM 1656 N VAL A 120 -3.260 7.532 -2.943 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.941 7.092 -2.507 1.00 0.00 C ATOM 1658 C VAL A 120 -0.845 8.072 -2.963 1.00 0.00 C ATOM 1659 O VAL A 120 0.228 8.145 -2.353 1.00 0.00 O ATOM 1660 CB VAL A 120 -1.624 5.647 -3.008 1.00 0.00 C ATOM 1661 CG1 VAL A 120 -0.199 5.236 -2.663 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -2.609 4.653 -2.410 1.00 0.00 C ATOM 0 H VAL A 120 -3.676 6.955 -3.674 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.953 7.076 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.723 5.645 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.014 4.225 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.502 5.925 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.064 5.263 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -2.376 3.650 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.535 4.677 -1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -3.622 4.919 -2.711 1.00 0.00 H new ATOM 1672 N SER A 121 -1.136 8.840 -4.018 1.00 0.00 N ATOM 1673 CA SER A 121 -0.190 9.818 -4.561 1.00 0.00 C ATOM 1674 C SER A 121 0.272 10.791 -3.482 1.00 0.00 C ATOM 1675 O SER A 121 1.452 11.099 -3.379 1.00 0.00 O ATOM 1676 CB SER A 121 -0.820 10.593 -5.726 1.00 0.00 C ATOM 1677 OG SER A 121 0.122 11.460 -6.337 1.00 0.00 O ATOM 0 H SER A 121 -2.026 8.802 -4.515 1.00 0.00 H new ATOM 0 HA SER A 121 0.678 9.270 -4.929 1.00 0.00 H new ATOM 0 HB2 SER A 121 -1.205 9.892 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 121 -1.669 11.172 -5.363 1.00 0.00 H new ATOM 0 HG SER A 121 0.938 10.960 -6.547 1.00 0.00 H new ATOM 1683 N SER A 122 -0.663 11.267 -2.683 1.00 0.00 N ATOM 1684 CA SER A 122 -0.351 12.187 -1.615 1.00 0.00 C ATOM 1685 C SER A 122 0.099 11.430 -0.368 1.00 0.00 C ATOM 1686 O SER A 122 0.812 11.968 0.481 1.00 0.00 O ATOM 1687 CB SER A 122 -1.577 13.039 -1.305 1.00 0.00 C ATOM 1688 OG SER A 122 -2.725 12.219 -1.135 1.00 0.00 O ATOM 0 H SER A 122 -1.652 11.027 -2.757 1.00 0.00 H new ATOM 0 HA SER A 122 0.467 12.835 -1.931 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.402 13.622 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.747 13.749 -2.114 1.00 0.00 H new ATOM 0 HG SER A 122 -3.502 12.782 -0.935 1.00 0.00 H new ATOM 1694 N ALA A 123 -0.310 10.174 -0.283 1.00 0.00 N ATOM 1695 CA ALA A 123 -0.032 9.350 0.874 1.00 0.00 C ATOM 1696 C ALA A 123 1.362 8.702 0.826 1.00 0.00 C ATOM 1697 O ALA A 123 2.363 9.334 1.163 1.00 0.00 O ATOM 1698 CB ALA A 123 -1.121 8.293 1.035 1.00 0.00 C ATOM 0 H ALA A 123 -0.842 9.702 -1.014 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.033 10.005 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.904 7.677 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -2.086 8.782 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -1.152 7.664 0.146 1.00 0.00 H new ATOM 1704 N ALA A 124 1.422 7.448 0.387 1.00 0.00 N ATOM 1705 CA ALA A 124 2.672 6.689 0.379 1.00 0.00 C ATOM 1706 C ALA A 124 3.620 7.182 -0.689 1.00 0.00 C ATOM 1707 O ALA A 124 4.818 7.300 -0.458 1.00 0.00 O ATOM 1708 CB ALA A 124 2.392 5.208 0.183 1.00 0.00 C ATOM 0 H ALA A 124 0.617 6.933 0.031 1.00 0.00 H new ATOM 0 HA ALA A 124 3.151 6.839 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.333 4.657 0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.763 4.846 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.880 5.057 -0.767 1.00 0.00 H new ATOM 1714 N GLN A 125 3.077 7.481 -1.843 1.00 0.00 N ATOM 1715 CA GLN A 125 3.868 7.935 -2.965 1.00 0.00 C ATOM 1716 C GLN A 125 4.510 9.287 -2.663 1.00 0.00 C ATOM 1717 O GLN A 125 5.685 9.509 -2.956 1.00 0.00 O ATOM 1718 CB GLN A 125 2.978 8.048 -4.199 1.00 0.00 C ATOM 1719 CG GLN A 125 3.711 8.432 -5.467 1.00 0.00 C ATOM 1720 CD GLN A 125 2.766 8.697 -6.624 1.00 0.00 C ATOM 1721 OE1 GLN A 125 2.329 9.830 -6.840 1.00 0.00 O ATOM 1722 NE2 GLN A 125 2.426 7.659 -7.359 1.00 0.00 N ATOM 0 H GLN A 125 2.077 7.418 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 125 4.663 7.212 -3.150 1.00 0.00 H new ATOM 0 HB2 GLN A 125 2.477 7.093 -4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 125 2.201 8.788 -4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 125 4.312 9.322 -5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 125 4.401 7.634 -5.741 1.00 0.00 H new ATOM 0 HE21 GLN A 125 2.809 6.737 -7.148 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.779 7.776 -8.139 1.00 0.00 H new ATOM 1731 N GLY A 126 3.736 10.169 -2.058 1.00 0.00 N ATOM 1732 CA GLY A 126 4.199 11.512 -1.801 1.00 0.00 C ATOM 1733 C GLY A 126 4.986 11.679 -0.519 1.00 0.00 C ATOM 1734 O GLY A 126 6.053 12.291 -0.524 1.00 0.00 O ATOM 0 H GLY A 126 2.787 9.976 -1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.821 11.833 -2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.337 12.179 -1.771 1.00 0.00 H new ATOM 1738 N LEU A 127 4.473 11.157 0.584 1.00 0.00 N ATOM 1739 CA LEU A 127 5.124 11.363 1.872 1.00 0.00 C ATOM 1740 C LEU A 127 5.698 10.072 2.441 1.00 0.00 C ATOM 1741 O LEU A 127 6.653 10.099 3.218 1.00 0.00 O ATOM 1742 CB LEU A 127 4.125 11.961 2.869 1.00 0.00 C ATOM 1743 CG LEU A 127 3.470 13.282 2.452 1.00 0.00 C ATOM 1744 CD1 LEU A 127 2.472 13.739 3.506 1.00 0.00 C ATOM 1745 CD2 LEU A 127 4.524 14.358 2.214 1.00 0.00 C ATOM 0 H LEU A 127 3.622 10.596 0.617 1.00 0.00 H new ATOM 0 HA LEU A 127 5.953 12.051 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 127 3.338 11.229 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.638 12.116 3.818 1.00 0.00 H new ATOM 0 HG LEU A 127 2.935 13.116 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.017 14.679 3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 127 1.697 12.982 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.987 13.884 4.456 1.00 0.00 H new ATOM 0 HD21 LEU A 127 4.036 15.287 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.091 14.521 3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 127 5.200 14.036 1.422 1.00 0.00 H new ATOM 1757 N GLY A 128 5.147 8.952 2.037 1.00 0.00 N ATOM 1758 CA GLY A 128 5.577 7.691 2.595 1.00 0.00 C ATOM 1759 C GLY A 128 4.880 7.436 3.910 1.00 0.00 C ATOM 1760 O GLY A 128 5.271 7.975 4.947 1.00 0.00 O ATOM 0 H GLY A 128 4.411 8.887 1.334 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.358 6.883 1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.657 7.700 2.744 1.00 0.00 H new ATOM 1764 N ILE A 129 3.842 6.635 3.868 1.00 0.00 N ATOM 1765 CA ILE A 129 3.036 6.368 5.046 1.00 0.00 C ATOM 1766 C ILE A 129 3.595 5.221 5.877 1.00 0.00 C ATOM 1767 O ILE A 129 4.046 4.212 5.341 1.00 0.00 O ATOM 1768 CB ILE A 129 1.569 6.064 4.660 1.00 0.00 C ATOM 1769 CG1 ILE A 129 0.940 7.265 3.945 1.00 0.00 C ATOM 1770 CG2 ILE A 129 0.750 5.672 5.879 1.00 0.00 C ATOM 1771 CD1 ILE A 129 1.062 8.572 4.706 1.00 0.00 C ATOM 0 H ILE A 129 3.530 6.151 3.026 1.00 0.00 H new ATOM 0 HA ILE A 129 3.067 7.272 5.654 1.00 0.00 H new ATOM 0 HB ILE A 129 1.570 5.217 3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 129 1.410 7.380 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -0.115 7.057 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -0.276 5.464 5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.181 4.781 6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.757 6.489 6.600 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.593 9.372 4.133 1.00 0.00 H new ATOM 0 HD12 ILE A 129 0.566 8.478 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 129 2.115 8.806 4.860 1.00 0.00 H new ATOM 1783 N ASN A 130 3.552 5.393 7.188 1.00 0.00 N ATOM 1784 CA ASN A 130 4.007 4.380 8.118 1.00 0.00 C ATOM 1785 C ASN A 130 2.840 3.900 8.966 1.00 0.00 C ATOM 1786 O ASN A 130 2.029 4.701 9.433 1.00 0.00 O ATOM 1787 CB ASN A 130 5.103 4.937 9.032 1.00 0.00 C ATOM 1788 CG ASN A 130 5.707 3.871 9.938 1.00 0.00 C ATOM 1789 OD1 ASN A 130 5.798 2.695 9.569 1.00 0.00 O ATOM 1790 ND2 ASN A 130 6.123 4.271 11.124 1.00 0.00 N ATOM 0 H ASN A 130 3.200 6.240 7.635 1.00 0.00 H new ATOM 0 HA ASN A 130 4.416 3.547 7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 130 5.891 5.379 8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 130 4.688 5.737 9.645 1.00 0.00 H new ATOM 0 HD21 ASN A 130 6.537 3.601 11.772 1.00 0.00 H new ATOM 0 HD22 ASN A 130 6.031 5.251 11.393 1.00 0.00 H new ATOM 1797 N VAL A 131 2.742 2.601 9.135 1.00 0.00 N ATOM 1798 CA VAL A 131 1.710 2.005 9.960 1.00 0.00 C ATOM 1799 C VAL A 131 2.198 1.973 11.421 1.00 0.00 C ATOM 1800 O VAL A 131 3.354 2.298 11.691 1.00 0.00 O ATOM 1801 CB VAL A 131 1.380 0.565 9.461 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.150 -0.014 10.151 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.194 0.555 7.956 1.00 0.00 C ATOM 0 H VAL A 131 3.374 1.926 8.705 1.00 0.00 H new ATOM 0 HA VAL A 131 0.799 2.599 9.894 1.00 0.00 H new ATOM 0 HB VAL A 131 2.228 -0.069 9.721 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.041 -1.018 9.772 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.323 -0.059 11.226 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.713 0.621 9.949 1.00 0.00 H new ATOM 0 HG21 VAL A 131 0.964 -0.458 7.624 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.373 1.220 7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.110 0.896 7.474 1.00 0.00 H new ATOM 1813 N ASP A 132 1.329 1.589 12.350 1.00 0.00 N ATOM 1814 CA ASP A 132 1.690 1.538 13.764 1.00 0.00 C ATOM 1815 C ASP A 132 2.873 0.594 14.005 1.00 0.00 C ATOM 1816 O ASP A 132 3.019 -0.441 13.330 1.00 0.00 O ATOM 1817 CB ASP A 132 0.490 1.116 14.618 1.00 0.00 C ATOM 1818 CG ASP A 132 0.836 1.024 16.090 1.00 0.00 C ATOM 1819 OD1 ASP A 132 0.963 2.083 16.744 1.00 0.00 O ATOM 1820 OD2 ASP A 132 1.003 -0.099 16.592 1.00 0.00 O ATOM 0 H ASP A 132 0.369 1.308 12.150 1.00 0.00 H new ATOM 0 HA ASP A 132 1.993 2.542 14.061 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -0.320 1.832 14.482 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.123 0.150 14.272 1.00 0.00 H new ATOM 1825 N SER A 133 3.707 0.959 14.968 1.00 0.00 N ATOM 1826 CA SER A 133 4.920 0.226 15.279 1.00 0.00 C ATOM 1827 C SER A 133 4.651 -1.193 15.786 1.00 0.00 C ATOM 1828 O SER A 133 5.523 -2.062 15.684 1.00 0.00 O ATOM 1829 CB SER A 133 5.751 1.001 16.302 1.00 0.00 C ATOM 1830 OG SER A 133 6.077 2.298 15.819 1.00 0.00 O ATOM 0 H SER A 133 3.558 1.778 15.558 1.00 0.00 H new ATOM 0 HA SER A 133 5.475 0.125 14.347 1.00 0.00 H new ATOM 0 HB2 SER A 133 5.196 1.086 17.236 1.00 0.00 H new ATOM 0 HB3 SER A 133 6.666 0.451 16.524 1.00 0.00 H new ATOM 0 HG SER A 133 6.607 2.774 16.492 1.00 0.00 H new ATOM 1836 N GLY A 134 3.445 -1.422 16.305 1.00 0.00 N ATOM 1837 CA GLY A 134 3.088 -2.713 16.875 1.00 0.00 C ATOM 1838 C GLY A 134 3.433 -3.900 15.990 1.00 0.00 C ATOM 1839 O GLY A 134 4.340 -4.674 16.309 1.00 0.00 O ATOM 0 H GLY A 134 2.700 -0.726 16.341 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.596 -2.828 17.833 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.017 -2.724 17.079 1.00 0.00 H new ATOM 1843 N SER A 135 2.734 -4.040 14.879 1.00 0.00 N ATOM 1844 CA SER A 135 2.945 -5.183 14.005 1.00 0.00 C ATOM 1845 C SER A 135 3.839 -4.854 12.804 1.00 0.00 C ATOM 1846 O SER A 135 4.627 -5.688 12.367 1.00 0.00 O ATOM 1847 CB SER A 135 1.600 -5.717 13.513 1.00 0.00 C ATOM 1848 OG SER A 135 0.704 -5.922 14.594 1.00 0.00 O ATOM 0 H SER A 135 2.021 -3.384 14.561 1.00 0.00 H new ATOM 0 HA SER A 135 3.460 -5.942 14.593 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.164 -5.014 12.804 1.00 0.00 H new ATOM 0 HB3 SER A 135 1.751 -6.655 12.979 1.00 0.00 H new ATOM 0 HG SER A 135 -0.149 -6.262 14.252 1.00 0.00 H new ATOM 1854 N VAL A 136 3.732 -3.641 12.284 1.00 0.00 N ATOM 1855 CA VAL A 136 4.440 -3.295 11.063 1.00 0.00 C ATOM 1856 C VAL A 136 5.895 -2.884 11.296 1.00 0.00 C ATOM 1857 O VAL A 136 6.808 -3.566 10.828 1.00 0.00 O ATOM 1858 CB VAL A 136 3.682 -2.214 10.256 1.00 0.00 C ATOM 1859 CG1 VAL A 136 4.490 -1.771 9.043 1.00 0.00 C ATOM 1860 CG2 VAL A 136 2.334 -2.762 9.815 1.00 0.00 C ATOM 0 H VAL A 136 3.169 -2.889 12.682 1.00 0.00 H new ATOM 0 HA VAL A 136 4.473 -4.210 10.472 1.00 0.00 H new ATOM 0 HB VAL A 136 3.531 -1.344 10.895 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.934 -1.011 8.494 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.443 -1.357 9.372 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.672 -2.628 8.394 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.800 -2.001 9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.486 -3.642 9.190 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.748 -3.037 10.692 1.00 0.00 H new ATOM 1870 N GLN A 137 6.116 -1.796 12.034 1.00 0.00 N ATOM 1871 CA GLN A 137 7.472 -1.274 12.232 1.00 0.00 C ATOM 1872 C GLN A 137 8.411 -2.313 12.834 1.00 0.00 C ATOM 1873 O GLN A 137 9.530 -2.487 12.357 1.00 0.00 O ATOM 1874 CB GLN A 137 7.458 -0.034 13.108 1.00 0.00 C ATOM 1875 CG GLN A 137 8.794 0.684 13.170 1.00 0.00 C ATOM 1876 CD GLN A 137 9.262 1.198 11.819 1.00 0.00 C ATOM 1877 OE1 GLN A 137 8.326 1.563 10.958 1.00 0.00 O flip ATOM 1878 NE2 GLN A 137 10.461 1.270 11.555 1.00 0.00 N flip ATOM 0 H GLN A 137 5.383 -1.262 12.501 1.00 0.00 H new ATOM 0 HA GLN A 137 7.848 -1.013 11.243 1.00 0.00 H new ATOM 0 HB2 GLN A 137 6.702 0.656 12.734 1.00 0.00 H new ATOM 0 HB3 GLN A 137 7.160 -0.317 14.118 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.717 1.522 13.863 1.00 0.00 H new ATOM 0 HG3 GLN A 137 9.545 0.005 13.573 1.00 0.00 H new ATOM 0 HE21 GLN A 137 11.154 0.979 12.245 1.00 0.00 H new ATOM 0 HE22 GLN A 137 10.763 1.621 10.646 1.00 0.00 H new ATOM 1887 N SER A 138 7.949 -3.006 13.864 1.00 0.00 N ATOM 1888 CA SER A 138 8.766 -4.001 14.553 1.00 0.00 C ATOM 1889 C SER A 138 9.328 -5.056 13.588 1.00 0.00 C ATOM 1890 O SER A 138 10.481 -5.467 13.712 1.00 0.00 O ATOM 1891 CB SER A 138 7.957 -4.667 15.661 1.00 0.00 C ATOM 1892 OG SER A 138 7.521 -3.707 16.614 1.00 0.00 O ATOM 0 H SER A 138 7.009 -2.899 14.244 1.00 0.00 H new ATOM 0 HA SER A 138 9.618 -3.481 14.992 1.00 0.00 H new ATOM 0 HB2 SER A 138 7.095 -5.177 15.232 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.564 -5.426 16.154 1.00 0.00 H new ATOM 0 HG SER A 138 6.721 -3.252 16.277 1.00 0.00 H new ATOM 1898 N ASP A 139 8.529 -5.465 12.622 1.00 0.00 N ATOM 1899 CA ASP A 139 8.965 -6.472 11.664 1.00 0.00 C ATOM 1900 C ASP A 139 9.774 -5.867 10.528 1.00 0.00 C ATOM 1901 O ASP A 139 10.863 -6.347 10.210 1.00 0.00 O ATOM 1902 CB ASP A 139 7.774 -7.257 11.105 1.00 0.00 C ATOM 1903 CG ASP A 139 7.333 -8.386 12.017 1.00 0.00 C ATOM 1904 OD1 ASP A 139 7.902 -9.494 11.917 1.00 0.00 O ATOM 1905 OD2 ASP A 139 6.409 -8.185 12.828 1.00 0.00 O ATOM 0 H ASP A 139 7.580 -5.121 12.477 1.00 0.00 H new ATOM 0 HA ASP A 139 9.614 -7.160 12.206 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.938 -6.576 10.947 1.00 0.00 H new ATOM 0 HB3 ASP A 139 8.040 -7.666 10.130 1.00 0.00 H new ATOM 1910 N ILE A 140 9.264 -4.795 9.938 1.00 0.00 N ATOM 1911 CA ILE A 140 9.911 -4.188 8.775 1.00 0.00 C ATOM 1912 C ILE A 140 11.284 -3.585 9.097 1.00 0.00 C ATOM 1913 O ILE A 140 12.145 -3.508 8.226 1.00 0.00 O ATOM 1914 CB ILE A 140 9.025 -3.110 8.100 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.798 -1.923 9.035 1.00 0.00 C ATOM 1916 CG2 ILE A 140 7.695 -3.714 7.661 1.00 0.00 C ATOM 1917 CD1 ILE A 140 8.090 -0.756 8.379 1.00 0.00 C ATOM 0 H ILE A 140 8.409 -4.327 10.240 1.00 0.00 H new ATOM 0 HA ILE A 140 10.056 -5.013 8.078 1.00 0.00 H new ATOM 0 HB ILE A 140 9.547 -2.744 7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.214 -2.255 9.893 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.761 -1.584 9.417 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.084 -2.945 7.189 1.00 0.00 H new ATOM 0 HG22 ILE A 140 7.878 -4.519 6.949 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.171 -4.111 8.531 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.965 0.048 9.104 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.683 -0.397 7.538 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.112 -1.078 8.022 1.00 0.00 H new ATOM 1929 N SER A 141 11.485 -3.165 10.337 1.00 0.00 N ATOM 1930 CA SER A 141 12.747 -2.548 10.734 1.00 0.00 C ATOM 1931 C SER A 141 13.919 -3.542 10.709 1.00 0.00 C ATOM 1932 O SER A 141 14.965 -3.259 10.141 1.00 0.00 O ATOM 1933 CB SER A 141 12.621 -1.903 12.117 1.00 0.00 C ATOM 1934 OG SER A 141 12.051 -2.807 13.053 1.00 0.00 O ATOM 0 H SER A 141 10.795 -3.238 11.085 1.00 0.00 H new ATOM 0 HA SER A 141 12.967 -1.774 9.999 1.00 0.00 H new ATOM 0 HB2 SER A 141 13.604 -1.586 12.465 1.00 0.00 H new ATOM 0 HB3 SER A 141 12.003 -1.007 12.049 1.00 0.00 H new ATOM 0 HG SER A 141 11.074 -2.775 12.985 1.00 0.00 H new ATOM 1940 N SER A 142 13.729 -4.701 11.306 1.00 0.00 N ATOM 1941 CA SER A 142 14.791 -5.697 11.391 1.00 0.00 C ATOM 1942 C SER A 142 14.875 -6.567 10.133 1.00 0.00 C ATOM 1943 O SER A 142 15.905 -7.183 9.862 1.00 0.00 O ATOM 1944 CB SER A 142 14.578 -6.570 12.625 1.00 0.00 C ATOM 1945 OG SER A 142 14.428 -5.764 13.783 1.00 0.00 O ATOM 0 H SER A 142 12.850 -4.982 11.741 1.00 0.00 H new ATOM 0 HA SER A 142 15.738 -5.164 11.474 1.00 0.00 H new ATOM 0 HB2 SER A 142 13.693 -7.191 12.490 1.00 0.00 H new ATOM 0 HB3 SER A 142 15.425 -7.245 12.751 1.00 0.00 H new ATOM 0 HG SER A 142 14.291 -6.338 14.565 1.00 0.00 H new ATOM 1951 N SER A 143 13.801 -6.609 9.371 1.00 0.00 N ATOM 1952 CA SER A 143 13.746 -7.456 8.190 1.00 0.00 C ATOM 1953 C SER A 143 14.339 -6.780 6.947 1.00 0.00 C ATOM 1954 O SER A 143 14.708 -7.455 5.995 1.00 0.00 O ATOM 1955 CB SER A 143 12.300 -7.885 7.915 1.00 0.00 C ATOM 1956 OG SER A 143 12.211 -8.738 6.780 1.00 0.00 O ATOM 0 H SER A 143 12.954 -6.068 9.545 1.00 0.00 H new ATOM 0 HA SER A 143 14.358 -8.333 8.400 1.00 0.00 H new ATOM 0 HB2 SER A 143 11.901 -8.399 8.789 1.00 0.00 H new ATOM 0 HB3 SER A 143 11.682 -7.001 7.755 1.00 0.00 H new ATOM 0 HG SER A 143 12.376 -8.218 5.966 1.00 0.00 H new ATOM 1962 N SER A 144 14.435 -5.464 6.956 1.00 0.00 N ATOM 1963 CA SER A 144 14.871 -4.743 5.770 1.00 0.00 C ATOM 1964 C SER A 144 16.372 -4.904 5.462 1.00 0.00 C ATOM 1965 O SER A 144 16.743 -5.514 4.462 1.00 0.00 O ATOM 1966 CB SER A 144 14.519 -3.269 5.918 1.00 0.00 C ATOM 1967 OG SER A 144 14.906 -2.795 7.195 1.00 0.00 O ATOM 0 H SER A 144 14.220 -4.875 7.761 1.00 0.00 H new ATOM 0 HA SER A 144 14.344 -5.181 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 144 15.018 -2.690 5.141 1.00 0.00 H new ATOM 0 HB3 SER A 144 13.447 -3.129 5.781 1.00 0.00 H new ATOM 0 HG SER A 144 14.154 -2.880 7.817 1.00 0.00 H new