USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=32 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 130 ASN : amide:sc= 0.49 K(o=0.72,f=-0.31) USER MOD Set 1.2: A 137 GLN :FLIP amide:sc= 0.228 F(o=-0.79!,f=0.72) USER MOD Set 2.1: A 133 SER OG : rot 108:sc= 0.617 USER MOD Set 2.2: A 135 SER OG : rot 180:sc= 0.926 USER MOD Set 3.1: A 121 SER OG : rot 82:sc= 0.402 USER MOD Set 3.2: A 125 GLN : amide:sc= -0.0364 K(o=0.37,f=-0.4) USER MOD Set 4.1: A 29 SER OG : rot 168:sc= 1.28 USER MOD Set 4.2: A 143 SER OG : rot 141:sc= 1.17 USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= -0.27 USER MOD Set 5.2: A 144 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 23 ASN : amide:sc= -0.817 K(o=-1.6,f=-4.1!) USER MOD Set 6.2: A 30 THR OG1 : rot 180:sc= -0.804 USER MOD Set 7.1: A 14 SER OG : rot -56:sc= 0.269 USER MOD Set 7.2: A 104 ASN : amide:sc= -0.172 X(o=0.097,f=-0.3) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.926 K(o=0.93,f=-3.4!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 44:sc= 0.0956 USER MOD Single : A 40 SER OG : rot -70:sc= -0.276 USER MOD Single : A 41 GLN : amide:sc= -0.0214 K(o=-0.021,f=-2.3!) USER MOD Single : A 42 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.58) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.056 K(o=-0.056,f=-0.63) USER MOD Single : A 53 GLN : amide:sc= -3.06! C(o=-3.1!,f=-4.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -89:sc= 1.24 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0311 X(o=-0.031,f=-0.24) USER MOD Single : A 65 ASN : amide:sc= -4.42! C(o=-4.4!,f=-11!) USER MOD Single : A 72 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.75) USER MOD Single : A 75 SER OG : rot -33:sc= 0.273 USER MOD Single : A 86 TYR OH : rot 175:sc= 1 USER MOD Single : A 88 GLN : amide:sc= -0.812! C(o=-0.81!,f=-4.8!) USER MOD Single : A 91 SER OG : rot 150:sc=-0.00466 USER MOD Single : A 92 SER OG : rot -90:sc= -0.262 USER MOD Single : A 96 ASN : amide:sc= -0.518 K(o=-0.52,f=-2.9!) USER MOD Single : A 101 ASN : amide:sc= -1.99! C(o=-2!,f=-7.1!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 85:sc= 0.358 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0248 USER MOD Single : A 114 SER OG : rot 53:sc= 0.391 USER MOD Single : A 118 ASN :FLIP amide:sc= -0.16 F(o=-1.3,f=-0.16) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot -111:sc= 1.29 USER MOD Single : A 141 SER OG : rot -86:sc= 1.23 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.931 -5.835 -13.854 1.00 0.00 N ATOM 124 CA GLY A 12 -2.469 -7.161 -14.231 1.00 0.00 C ATOM 125 C GLY A 12 -1.012 -7.170 -14.650 1.00 0.00 C ATOM 126 O GLY A 12 -0.274 -8.100 -14.330 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.607 -7.843 -13.392 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.082 -7.537 -15.050 1.00 0.00 H new ATOM 130 N ALA A 13 -0.596 -6.127 -15.357 1.00 0.00 N ATOM 131 CA ALA A 13 0.784 -6.008 -15.810 1.00 0.00 C ATOM 132 C ALA A 13 1.730 -5.836 -14.627 1.00 0.00 C ATOM 133 O ALA A 13 2.842 -6.371 -14.620 1.00 0.00 O ATOM 134 CB ALA A 13 0.928 -4.839 -16.776 1.00 0.00 C ATOM 0 H ALA A 13 -1.197 -5.349 -15.630 1.00 0.00 H new ATOM 0 HA ALA A 13 1.051 -6.927 -16.331 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.965 -4.764 -17.105 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.284 -5.000 -17.641 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.639 -3.915 -16.275 1.00 0.00 H new ATOM 140 N SER A 14 1.280 -5.094 -13.626 1.00 0.00 N ATOM 141 CA SER A 14 2.072 -4.842 -12.439 1.00 0.00 C ATOM 142 C SER A 14 2.284 -6.124 -11.628 1.00 0.00 C ATOM 143 O SER A 14 3.322 -6.297 -10.999 1.00 0.00 O ATOM 144 CB SER A 14 1.385 -3.794 -11.567 1.00 0.00 C ATOM 145 OG SER A 14 1.010 -2.663 -12.330 1.00 0.00 O ATOM 0 H SER A 14 0.360 -4.653 -13.617 1.00 0.00 H new ATOM 0 HA SER A 14 3.047 -4.474 -12.759 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.503 -4.229 -11.098 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.055 -3.489 -10.764 1.00 0.00 H new ATOM 0 HG SER A 14 1.798 -2.299 -12.784 1.00 0.00 H new ATOM 151 N ALA A 15 1.302 -7.024 -11.681 1.00 0.00 N ATOM 152 CA ALA A 15 1.322 -8.274 -10.905 1.00 0.00 C ATOM 153 C ALA A 15 2.588 -9.106 -11.144 1.00 0.00 C ATOM 154 O ALA A 15 2.987 -9.892 -10.289 1.00 0.00 O ATOM 155 CB ALA A 15 0.082 -9.102 -11.206 1.00 0.00 C ATOM 0 H ALA A 15 0.470 -6.912 -12.260 1.00 0.00 H new ATOM 0 HA ALA A 15 1.326 -7.991 -9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.110 -10.024 -10.625 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.809 -8.533 -10.940 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.055 -9.344 -12.269 1.00 0.00 H new ATOM 161 N GLY A 16 3.204 -8.940 -12.297 1.00 0.00 N ATOM 162 CA GLY A 16 4.408 -9.686 -12.591 1.00 0.00 C ATOM 163 C GLY A 16 5.675 -8.985 -12.124 1.00 0.00 C ATOM 164 O GLY A 16 6.635 -9.632 -11.703 1.00 0.00 O ATOM 0 H GLY A 16 2.896 -8.306 -13.034 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.346 -10.665 -12.117 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.469 -9.856 -13.666 1.00 0.00 H new ATOM 168 N LEU A 17 5.686 -7.664 -12.209 1.00 0.00 N ATOM 169 CA LEU A 17 6.867 -6.880 -11.848 1.00 0.00 C ATOM 170 C LEU A 17 6.946 -6.561 -10.351 1.00 0.00 C ATOM 171 O LEU A 17 8.024 -6.300 -9.841 1.00 0.00 O ATOM 172 CB LEU A 17 6.943 -5.589 -12.692 1.00 0.00 C ATOM 173 CG LEU A 17 5.726 -4.645 -12.630 1.00 0.00 C ATOM 174 CD1 LEU A 17 5.769 -3.758 -11.391 1.00 0.00 C ATOM 175 CD2 LEU A 17 5.640 -3.803 -13.890 1.00 0.00 C ATOM 0 H LEU A 17 4.892 -7.107 -12.525 1.00 0.00 H new ATOM 0 HA LEU A 17 7.733 -7.503 -12.073 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.824 -5.029 -12.377 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.100 -5.872 -13.733 1.00 0.00 H new ATOM 0 HG LEU A 17 4.830 -5.262 -12.562 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.896 -3.106 -11.380 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.767 -4.381 -10.497 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.675 -3.152 -11.409 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.775 -3.143 -13.828 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.546 -3.205 -13.991 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.537 -4.455 -14.757 1.00 0.00 H new ATOM 187 N ILE A 18 5.798 -6.595 -9.660 1.00 0.00 N ATOM 188 CA ILE A 18 5.699 -6.206 -8.227 1.00 0.00 C ATOM 189 C ILE A 18 6.782 -6.808 -7.329 1.00 0.00 C ATOM 190 O ILE A 18 7.257 -6.149 -6.406 1.00 0.00 O ATOM 191 CB ILE A 18 4.327 -6.550 -7.623 1.00 0.00 C ATOM 192 CG1 ILE A 18 3.934 -7.989 -7.966 1.00 0.00 C ATOM 193 CG2 ILE A 18 3.271 -5.561 -8.080 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.648 -8.438 -7.316 1.00 0.00 C ATOM 0 H ILE A 18 4.910 -6.890 -10.067 1.00 0.00 H new ATOM 0 HA ILE A 18 5.844 -5.126 -8.247 1.00 0.00 H new ATOM 0 HB ILE A 18 4.399 -6.474 -6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.836 -8.081 -9.048 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.738 -8.659 -7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.310 -5.826 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.551 -4.557 -7.763 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.192 -5.589 -9.167 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.434 -9.467 -7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.748 -8.379 -6.232 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.832 -7.793 -7.641 1.00 0.00 H new ATOM 206 N SER A 19 7.164 -8.037 -7.583 1.00 0.00 N ATOM 207 CA SER A 19 8.148 -8.687 -6.748 1.00 0.00 C ATOM 208 C SER A 19 9.573 -8.339 -7.179 1.00 0.00 C ATOM 209 O SER A 19 10.511 -8.496 -6.408 1.00 0.00 O ATOM 210 CB SER A 19 7.941 -10.204 -6.752 1.00 0.00 C ATOM 211 OG SER A 19 8.772 -10.834 -5.784 1.00 0.00 O ATOM 0 H SER A 19 6.812 -8.604 -8.355 1.00 0.00 H new ATOM 0 HA SER A 19 8.011 -8.318 -5.732 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.896 -10.433 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.163 -10.602 -7.742 1.00 0.00 H new ATOM 0 HG SER A 19 8.621 -11.802 -5.804 1.00 0.00 H new ATOM 217 N ARG A 20 9.729 -7.898 -8.416 1.00 0.00 N ATOM 218 CA ARG A 20 11.043 -7.558 -8.950 1.00 0.00 C ATOM 219 C ARG A 20 11.432 -6.115 -8.671 1.00 0.00 C ATOM 220 O ARG A 20 12.604 -5.819 -8.464 1.00 0.00 O ATOM 221 CB ARG A 20 11.098 -7.810 -10.449 1.00 0.00 C ATOM 222 CG ARG A 20 10.934 -9.256 -10.838 1.00 0.00 C ATOM 223 CD ARG A 20 11.225 -9.449 -12.311 1.00 0.00 C ATOM 224 NE ARG A 20 11.198 -10.861 -12.686 1.00 0.00 N ATOM 225 CZ ARG A 20 11.810 -11.368 -13.762 1.00 0.00 C ATOM 226 NH1 ARG A 20 12.474 -10.570 -14.595 1.00 0.00 N ATOM 227 NH2 ARG A 20 11.748 -12.667 -14.011 1.00 0.00 N ATOM 0 H ARG A 20 8.961 -7.766 -9.074 1.00 0.00 H new ATOM 0 HA ARG A 20 11.757 -8.204 -8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.317 -7.224 -10.934 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.052 -7.448 -10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.606 -9.876 -10.245 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.919 -9.585 -10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.491 -8.901 -12.902 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.202 -9.028 -12.547 1.00 0.00 H new ATOM 0 HE ARG A 20 10.678 -11.503 -12.088 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.518 -9.567 -14.414 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.939 -10.961 -15.414 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.233 -13.283 -13.382 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.215 -13.052 -14.832 1.00 0.00 H new ATOM 241 N VAL A 21 10.446 -5.226 -8.688 1.00 0.00 N ATOM 242 CA VAL A 21 10.687 -3.787 -8.511 1.00 0.00 C ATOM 243 C VAL A 21 11.419 -3.440 -7.206 1.00 0.00 C ATOM 244 O VAL A 21 11.708 -4.307 -6.399 1.00 0.00 O ATOM 245 CB VAL A 21 9.391 -2.937 -8.645 1.00 0.00 C ATOM 246 CG1 VAL A 21 9.244 -2.435 -10.067 1.00 0.00 C ATOM 247 CG2 VAL A 21 8.168 -3.739 -8.271 1.00 0.00 C ATOM 0 H VAL A 21 9.465 -5.472 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 21 11.352 -3.523 -9.333 1.00 0.00 H new ATOM 0 HB VAL A 21 9.475 -2.093 -7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.334 -1.841 -10.151 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.105 -1.819 -10.326 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.187 -3.284 -10.748 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.279 -3.117 -8.375 1.00 0.00 H new ATOM 0 HG22 VAL A 21 8.085 -4.604 -8.929 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.256 -4.076 -7.238 1.00 0.00 H new ATOM 257 N ALA A 22 11.680 -2.140 -7.027 1.00 0.00 N ATOM 258 CA ALA A 22 12.471 -1.580 -5.903 1.00 0.00 C ATOM 259 C ALA A 22 12.257 -2.268 -4.539 1.00 0.00 C ATOM 260 O ALA A 22 13.186 -2.348 -3.732 1.00 0.00 O ATOM 261 CB ALA A 22 12.203 -0.087 -5.780 1.00 0.00 C ATOM 0 H ALA A 22 11.343 -1.423 -7.670 1.00 0.00 H new ATOM 0 HA ALA A 22 13.513 -1.774 -6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.786 0.320 -4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.489 0.412 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.142 0.078 -5.592 1.00 0.00 H new ATOM 267 N ASN A 23 11.054 -2.758 -4.285 1.00 0.00 N ATOM 268 CA ASN A 23 10.741 -3.399 -3.004 1.00 0.00 C ATOM 269 C ASN A 23 11.540 -4.696 -2.817 1.00 0.00 C ATOM 270 O ASN A 23 11.769 -5.127 -1.698 1.00 0.00 O ATOM 271 CB ASN A 23 9.244 -3.677 -2.902 1.00 0.00 C ATOM 272 CG ASN A 23 8.707 -3.529 -1.492 1.00 0.00 C ATOM 273 OD1 ASN A 23 8.643 -4.483 -0.730 1.00 0.00 O ATOM 274 ND2 ASN A 23 8.312 -2.315 -1.144 1.00 0.00 N ATOM 0 H ASN A 23 10.275 -2.728 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 23 11.028 -2.713 -2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.708 -2.995 -3.562 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.043 -4.688 -3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.937 -2.149 -0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.382 -1.545 -1.810 1.00 0.00 H new ATOM 281 N ALA A 24 11.965 -5.299 -3.931 1.00 0.00 N ATOM 282 CA ALA A 24 12.733 -6.547 -3.907 1.00 0.00 C ATOM 283 C ALA A 24 14.021 -6.403 -3.100 1.00 0.00 C ATOM 284 O ALA A 24 14.378 -7.287 -2.321 1.00 0.00 O ATOM 285 CB ALA A 24 13.062 -6.991 -5.323 1.00 0.00 C ATOM 0 H ALA A 24 11.788 -4.939 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 24 12.114 -7.302 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.633 -7.919 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.138 -7.153 -5.878 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.652 -6.220 -5.818 1.00 0.00 H new ATOM 291 N LEU A 25 14.718 -5.287 -3.292 1.00 0.00 N ATOM 292 CA LEU A 25 15.969 -5.051 -2.584 1.00 0.00 C ATOM 293 C LEU A 25 15.695 -4.659 -1.140 1.00 0.00 C ATOM 294 O LEU A 25 16.512 -4.906 -0.244 1.00 0.00 O ATOM 295 CB LEU A 25 16.804 -3.983 -3.286 1.00 0.00 C ATOM 296 CG LEU A 25 18.183 -3.710 -2.678 1.00 0.00 C ATOM 297 CD1 LEU A 25 19.015 -4.986 -2.629 1.00 0.00 C ATOM 298 CD2 LEU A 25 18.907 -2.637 -3.470 1.00 0.00 C ATOM 0 H LEU A 25 14.440 -4.538 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 25 16.542 -5.978 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.938 -4.279 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.239 -3.051 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 25 18.042 -3.355 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 25 19.990 -4.768 -2.194 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.504 -5.731 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.147 -5.373 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.885 -2.454 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.033 -2.968 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.323 -1.717 -3.453 1.00 0.00 H new ATOM 310 N ALA A 26 14.543 -4.053 -0.913 1.00 0.00 N ATOM 311 CA ALA A 26 14.119 -3.719 0.427 1.00 0.00 C ATOM 312 C ALA A 26 13.485 -4.951 1.039 1.00 0.00 C ATOM 313 O ALA A 26 12.292 -4.980 1.303 1.00 0.00 O ATOM 314 CB ALA A 26 13.140 -2.551 0.409 1.00 0.00 C ATOM 0 H ALA A 26 13.885 -3.783 -1.645 1.00 0.00 H new ATOM 0 HA ALA A 26 14.976 -3.408 1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.834 -2.317 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.621 -1.679 -0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.263 -2.820 -0.180 1.00 0.00 H new ATOM 320 N ASN A 27 14.330 -5.964 1.255 1.00 0.00 N ATOM 321 CA ASN A 27 13.948 -7.318 1.713 1.00 0.00 C ATOM 322 C ASN A 27 13.276 -7.359 3.102 1.00 0.00 C ATOM 323 O ASN A 27 13.264 -8.399 3.768 1.00 0.00 O ATOM 324 CB ASN A 27 15.178 -8.220 1.681 1.00 0.00 C ATOM 325 CG ASN A 27 14.844 -9.648 1.295 1.00 0.00 C ATOM 326 OD1 ASN A 27 13.816 -10.197 1.691 1.00 0.00 O ATOM 327 ND2 ASN A 27 15.694 -10.242 0.489 1.00 0.00 N ATOM 0 H ASN A 27 15.335 -5.868 1.113 1.00 0.00 H new ATOM 0 HA ASN A 27 13.185 -7.679 1.023 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.902 -7.816 0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 27 15.654 -8.214 2.662 1.00 0.00 H new ATOM 0 HD21 ASN A 27 15.513 -11.193 0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.535 -9.752 0.184 1.00 0.00 H new ATOM 334 N THR A 28 12.747 -6.240 3.527 1.00 0.00 N ATOM 335 CA THR A 28 12.034 -6.132 4.773 1.00 0.00 C ATOM 336 C THR A 28 10.814 -7.085 4.775 1.00 0.00 C ATOM 337 O THR A 28 10.402 -7.598 3.732 1.00 0.00 O ATOM 338 CB THR A 28 11.546 -4.677 4.957 1.00 0.00 C ATOM 339 OG1 THR A 28 12.607 -3.774 4.616 1.00 0.00 O ATOM 340 CG2 THR A 28 11.106 -4.412 6.395 1.00 0.00 C ATOM 0 H THR A 28 12.801 -5.364 3.008 1.00 0.00 H new ATOM 0 HA THR A 28 12.701 -6.407 5.590 1.00 0.00 H new ATOM 0 HB THR A 28 10.688 -4.522 4.303 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.300 -2.850 4.730 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.769 -3.380 6.488 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.289 -5.085 6.655 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.945 -4.582 7.069 1.00 0.00 H new ATOM 348 N SER A 29 10.245 -7.307 5.943 1.00 0.00 N ATOM 349 CA SER A 29 9.079 -8.160 6.093 1.00 0.00 C ATOM 350 C SER A 29 7.882 -7.646 5.261 1.00 0.00 C ATOM 351 O SER A 29 6.921 -8.376 5.043 1.00 0.00 O ATOM 352 CB SER A 29 8.704 -8.237 7.562 1.00 0.00 C ATOM 353 OG SER A 29 9.833 -8.541 8.353 1.00 0.00 O ATOM 0 H SER A 29 10.577 -6.901 6.818 1.00 0.00 H new ATOM 0 HA SER A 29 9.329 -9.153 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.275 -7.288 7.883 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.937 -8.998 7.707 1.00 0.00 H new ATOM 0 HG SER A 29 9.616 -8.405 9.299 1.00 0.00 H new ATOM 359 N THR A 30 7.975 -6.390 4.811 1.00 0.00 N ATOM 360 CA THR A 30 6.925 -5.703 4.039 1.00 0.00 C ATOM 361 C THR A 30 6.462 -6.484 2.801 1.00 0.00 C ATOM 362 O THR A 30 5.324 -6.329 2.355 1.00 0.00 O ATOM 363 CB THR A 30 7.430 -4.325 3.594 1.00 0.00 C ATOM 364 OG1 THR A 30 8.773 -4.447 3.092 1.00 0.00 O ATOM 365 CG2 THR A 30 7.421 -3.357 4.754 1.00 0.00 C ATOM 0 H THR A 30 8.797 -5.808 4.975 1.00 0.00 H new ATOM 0 HA THR A 30 6.066 -5.614 4.704 1.00 0.00 H new ATOM 0 HB THR A 30 6.771 -3.947 2.812 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.096 -3.567 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.782 -2.385 4.419 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.405 -3.255 5.135 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.069 -3.732 5.546 1.00 0.00 H new ATOM 373 N LEU A 31 7.353 -7.274 2.232 1.00 0.00 N ATOM 374 CA LEU A 31 7.014 -8.093 1.072 1.00 0.00 C ATOM 375 C LEU A 31 7.100 -9.566 1.428 1.00 0.00 C ATOM 376 O LEU A 31 6.542 -10.423 0.736 1.00 0.00 O ATOM 377 CB LEU A 31 7.932 -7.796 -0.136 1.00 0.00 C ATOM 378 CG LEU A 31 9.420 -8.142 0.035 1.00 0.00 C ATOM 379 CD1 LEU A 31 10.064 -8.441 -1.316 1.00 0.00 C ATOM 380 CD2 LEU A 31 10.155 -7.003 0.709 1.00 0.00 C ATOM 0 H LEU A 31 8.317 -7.369 2.550 1.00 0.00 H new ATOM 0 HA LEU A 31 5.993 -7.842 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.551 -8.344 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.853 -6.735 -0.372 1.00 0.00 H new ATOM 0 HG LEU A 31 9.489 -9.031 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.117 -8.683 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.558 -9.287 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.978 -7.567 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.207 -7.265 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.069 -6.103 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.719 -6.819 1.691 1.00 0.00 H new ATOM 392 N ARG A 32 7.815 -9.856 2.498 1.00 0.00 N ATOM 393 CA ARG A 32 8.054 -11.221 2.912 1.00 0.00 C ATOM 394 C ARG A 32 6.863 -11.831 3.664 1.00 0.00 C ATOM 395 O ARG A 32 6.492 -12.979 3.404 1.00 0.00 O ATOM 396 CB ARG A 32 9.315 -11.301 3.768 1.00 0.00 C ATOM 397 CG ARG A 32 9.800 -12.719 4.014 1.00 0.00 C ATOM 398 CD ARG A 32 11.041 -12.736 4.887 1.00 0.00 C ATOM 399 NE ARG A 32 12.131 -11.938 4.319 1.00 0.00 N ATOM 400 CZ ARG A 32 13.376 -11.932 4.792 1.00 0.00 C ATOM 401 NH1 ARG A 32 13.700 -12.692 5.829 1.00 0.00 N ATOM 402 NH2 ARG A 32 14.294 -11.168 4.229 1.00 0.00 N ATOM 0 H ARG A 32 8.244 -9.154 3.101 1.00 0.00 H new ATOM 0 HA ARG A 32 8.191 -11.808 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.109 -10.734 3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.123 -10.821 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.009 -13.298 4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.017 -13.201 3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.792 -12.354 5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.377 -13.765 5.018 1.00 0.00 H new ATOM 0 HE ARG A 32 11.923 -11.351 3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.995 -13.284 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.655 -12.685 6.188 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.050 -10.582 3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.247 -11.164 4.592 1.00 0.00 H new ATOM 416 N THR A 33 6.249 -11.078 4.583 1.00 0.00 N ATOM 417 CA THR A 33 5.172 -11.651 5.386 1.00 0.00 C ATOM 418 C THR A 33 4.252 -10.602 6.052 1.00 0.00 C ATOM 419 O THR A 33 3.034 -10.710 5.957 1.00 0.00 O ATOM 420 CB THR A 33 5.725 -12.639 6.453 1.00 0.00 C ATOM 421 OG1 THR A 33 4.661 -13.151 7.273 1.00 0.00 O ATOM 422 CG2 THR A 33 6.783 -11.976 7.331 1.00 0.00 C ATOM 0 H THR A 33 6.471 -10.103 4.783 1.00 0.00 H new ATOM 0 HA THR A 33 4.549 -12.196 4.677 1.00 0.00 H new ATOM 0 HB THR A 33 6.192 -13.467 5.919 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.029 -13.771 7.936 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.148 -12.694 8.065 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.613 -11.639 6.709 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.345 -11.121 7.846 1.00 0.00 H new ATOM 430 N VAL A 34 4.817 -9.602 6.723 1.00 0.00 N ATOM 431 CA VAL A 34 3.978 -8.615 7.422 1.00 0.00 C ATOM 432 C VAL A 34 3.320 -7.659 6.440 1.00 0.00 C ATOM 433 O VAL A 34 3.790 -7.488 5.321 1.00 0.00 O ATOM 434 CB VAL A 34 4.753 -7.800 8.496 1.00 0.00 C ATOM 435 CG1 VAL A 34 5.505 -8.718 9.445 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.686 -6.780 7.857 1.00 0.00 C ATOM 0 H VAL A 34 5.822 -9.449 6.801 1.00 0.00 H new ATOM 0 HA VAL A 34 3.214 -9.195 7.939 1.00 0.00 H new ATOM 0 HB VAL A 34 4.018 -7.247 9.082 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.037 -8.120 10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.798 -9.376 9.951 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.220 -9.318 8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.211 -6.229 8.637 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.410 -7.295 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.105 -6.085 7.250 1.00 0.00 H new ATOM 446 N LEU A 35 2.226 -7.052 6.862 1.00 0.00 N ATOM 447 CA LEU A 35 1.502 -6.116 6.019 1.00 0.00 C ATOM 448 C LEU A 35 2.375 -4.920 5.646 1.00 0.00 C ATOM 449 O LEU A 35 3.176 -4.439 6.450 1.00 0.00 O ATOM 450 CB LEU A 35 0.191 -5.641 6.684 1.00 0.00 C ATOM 451 CG LEU A 35 0.318 -4.769 7.949 1.00 0.00 C ATOM 452 CD1 LEU A 35 -0.996 -4.062 8.231 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.729 -5.605 9.157 1.00 0.00 C ATOM 0 H LEU A 35 1.818 -7.190 7.786 1.00 0.00 H new ATOM 0 HA LEU A 35 1.238 -6.648 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.380 -5.081 5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.397 -6.523 6.939 1.00 0.00 H new ATOM 0 HG LEU A 35 1.095 -4.026 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.894 -3.449 9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.256 -3.427 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.782 -4.802 8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.810 -4.962 10.034 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.021 -6.374 9.339 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.692 -6.077 8.962 1.00 0.00 H new ATOM 465 N ARG A 36 2.211 -4.463 4.417 1.00 0.00 N ATOM 466 CA ARG A 36 2.973 -3.338 3.890 1.00 0.00 C ATOM 467 C ARG A 36 2.704 -2.050 4.658 1.00 0.00 C ATOM 468 O ARG A 36 1.665 -1.896 5.313 1.00 0.00 O ATOM 469 CB ARG A 36 2.644 -3.120 2.418 1.00 0.00 C ATOM 470 CG ARG A 36 1.154 -3.091 2.127 1.00 0.00 C ATOM 471 CD ARG A 36 0.854 -2.353 0.840 1.00 0.00 C ATOM 472 NE ARG A 36 0.907 -0.896 1.018 1.00 0.00 N ATOM 473 CZ ARG A 36 1.754 -0.086 0.390 1.00 0.00 C ATOM 474 NH1 ARG A 36 2.730 -0.587 -0.349 1.00 0.00 N ATOM 475 NH2 ARG A 36 1.637 1.229 0.532 1.00 0.00 N ATOM 0 H ARG A 36 1.546 -4.860 3.753 1.00 0.00 H new ATOM 0 HA ARG A 36 4.028 -3.588 4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.088 -2.180 2.090 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.105 -3.913 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.776 -4.111 2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.630 -2.611 2.954 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.571 -2.651 0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.134 -2.639 0.480 1.00 0.00 H new ATOM 0 HE ARG A 36 0.246 -0.475 1.671 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.835 -1.598 -0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.378 0.037 -0.829 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.899 1.615 1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.285 1.853 0.052 1.00 0.00 H new ATOM 489 N THR A 37 3.630 -1.121 4.539 1.00 0.00 N ATOM 490 CA THR A 37 3.528 0.157 5.183 1.00 0.00 C ATOM 491 C THR A 37 2.555 1.041 4.434 1.00 0.00 C ATOM 492 O THR A 37 2.808 1.447 3.295 1.00 0.00 O ATOM 493 CB THR A 37 4.899 0.839 5.253 1.00 0.00 C ATOM 494 OG1 THR A 37 5.606 0.623 4.021 1.00 0.00 O ATOM 495 CG2 THR A 37 5.710 0.290 6.410 1.00 0.00 C ATOM 0 H THR A 37 4.479 -1.240 3.986 1.00 0.00 H new ATOM 0 HA THR A 37 3.164 0.001 6.198 1.00 0.00 H new ATOM 0 HB THR A 37 4.751 1.908 5.409 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.998 0.763 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.680 0.787 6.443 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.179 0.470 7.345 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.856 -0.782 6.276 1.00 0.00 H new ATOM 503 N GLY A 38 1.440 1.319 5.060 1.00 0.00 N ATOM 504 CA GLY A 38 0.432 2.109 4.430 1.00 0.00 C ATOM 505 C GLY A 38 -0.383 1.273 3.477 1.00 0.00 C ATOM 506 O GLY A 38 -0.556 1.634 2.309 1.00 0.00 O ATOM 0 H GLY A 38 1.214 1.007 6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.220 2.546 5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.895 2.936 3.891 1.00 0.00 H new ATOM 510 N VAL A 39 -0.823 0.115 3.966 1.00 0.00 N ATOM 511 CA VAL A 39 -1.653 -0.806 3.198 1.00 0.00 C ATOM 512 C VAL A 39 -2.877 -0.098 2.596 1.00 0.00 C ATOM 513 O VAL A 39 -3.467 0.787 3.213 1.00 0.00 O ATOM 514 CB VAL A 39 -2.100 -2.016 4.064 1.00 0.00 C ATOM 515 CG1 VAL A 39 -3.005 -1.581 5.209 1.00 0.00 C ATOM 516 CG2 VAL A 39 -2.770 -3.079 3.211 1.00 0.00 C ATOM 0 H VAL A 39 -0.612 -0.210 4.909 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.041 -1.178 2.376 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.204 -2.453 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.298 -2.454 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.470 -0.879 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.896 -1.099 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.073 -3.914 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.648 -2.655 2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.070 -3.432 2.453 1.00 0.00 H new ATOM 526 N SER A 40 -3.223 -0.489 1.383 1.00 0.00 N ATOM 527 CA SER A 40 -4.327 0.112 0.666 1.00 0.00 C ATOM 528 C SER A 40 -5.673 -0.379 1.191 1.00 0.00 C ATOM 529 O SER A 40 -5.810 -1.533 1.611 1.00 0.00 O ATOM 530 CB SER A 40 -4.199 -0.202 -0.817 1.00 0.00 C ATOM 531 OG SER A 40 -2.926 0.184 -1.302 1.00 0.00 O ATOM 0 H SER A 40 -2.746 -1.231 0.870 1.00 0.00 H new ATOM 0 HA SER A 40 -4.287 1.190 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.348 -1.269 -0.982 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.979 0.319 -1.373 1.00 0.00 H new ATOM 0 HG SER A 40 -2.866 1.162 -1.321 1.00 0.00 H new ATOM 537 N GLN A 41 -6.665 0.502 1.137 1.00 0.00 N ATOM 538 CA GLN A 41 -8.016 0.207 1.609 1.00 0.00 C ATOM 539 C GLN A 41 -8.684 -0.879 0.774 1.00 0.00 C ATOM 540 O GLN A 41 -9.704 -1.418 1.163 1.00 0.00 O ATOM 541 CB GLN A 41 -8.870 1.467 1.577 1.00 0.00 C ATOM 542 CG GLN A 41 -9.243 1.932 0.175 1.00 0.00 C ATOM 543 CD GLN A 41 -9.958 3.270 0.168 1.00 0.00 C ATOM 544 OE1 GLN A 41 -9.690 4.138 0.996 1.00 0.00 O ATOM 545 NE2 GLN A 41 -10.889 3.435 -0.748 1.00 0.00 N ATOM 0 H GLN A 41 -6.556 1.445 0.764 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.930 -0.157 2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.784 1.288 2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.333 2.269 2.083 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.340 2.005 -0.430 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.881 1.182 -0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.083 2.691 -1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.417 4.307 -0.787 1.00 0.00 H new ATOM 554 N GLN A 42 -8.106 -1.183 -0.374 1.00 0.00 N ATOM 555 CA GLN A 42 -8.657 -2.191 -1.269 1.00 0.00 C ATOM 556 C GLN A 42 -8.810 -3.534 -0.552 1.00 0.00 C ATOM 557 O GLN A 42 -9.792 -4.249 -0.751 1.00 0.00 O ATOM 558 CB GLN A 42 -7.763 -2.350 -2.498 1.00 0.00 C ATOM 559 CG GLN A 42 -7.573 -1.067 -3.294 1.00 0.00 C ATOM 560 CD GLN A 42 -8.867 -0.542 -3.900 1.00 0.00 C ATOM 561 OE1 GLN A 42 -9.772 -1.303 -4.218 1.00 0.00 O ATOM 562 NE2 GLN A 42 -8.950 0.766 -4.071 1.00 0.00 N ATOM 0 H GLN A 42 -7.250 -0.744 -0.712 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.645 -1.860 -1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.787 -2.716 -2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.192 -3.111 -3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.147 -0.303 -2.644 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.851 -1.245 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.174 1.367 -3.793 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -9.790 1.174 -4.481 1.00 0.00 H new ATOM 571 N ILE A 43 -7.845 -3.861 0.300 1.00 0.00 N ATOM 572 CA ILE A 43 -7.878 -5.124 1.018 1.00 0.00 C ATOM 573 C ILE A 43 -8.744 -5.043 2.284 1.00 0.00 C ATOM 574 O ILE A 43 -9.540 -5.941 2.548 1.00 0.00 O ATOM 575 CB ILE A 43 -6.444 -5.663 1.342 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.638 -4.681 2.199 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.694 -5.979 0.057 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.742 -4.935 3.694 1.00 0.00 C ATOM 0 H ILE A 43 -7.038 -3.273 0.508 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.346 -5.845 0.348 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.566 -6.578 1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.590 -4.733 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.978 -3.667 1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.699 -6.353 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.239 -6.737 -0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.606 -5.074 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.144 -4.199 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.783 -4.853 4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.373 -5.936 3.920 1.00 0.00 H new ATOM 590 N ALA A 44 -8.601 -3.957 3.044 1.00 0.00 N ATOM 591 CA ALA A 44 -9.354 -3.788 4.284 1.00 0.00 C ATOM 592 C ALA A 44 -10.748 -3.240 4.011 1.00 0.00 C ATOM 593 O ALA A 44 -11.741 -3.935 4.210 1.00 0.00 O ATOM 594 CB ALA A 44 -8.590 -2.903 5.260 1.00 0.00 C ATOM 0 H ALA A 44 -7.973 -3.185 2.823 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.475 -4.769 4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.168 -2.790 6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.629 -3.362 5.491 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.426 -1.923 4.811 1.00 0.00 H new ATOM 600 N SER A 45 -10.807 -1.976 3.589 1.00 0.00 N ATOM 601 CA SER A 45 -12.058 -1.303 3.191 1.00 0.00 C ATOM 602 C SER A 45 -12.939 -0.921 4.397 1.00 0.00 C ATOM 603 O SER A 45 -13.687 0.055 4.338 1.00 0.00 O ATOM 604 CB SER A 45 -12.846 -2.174 2.191 1.00 0.00 C ATOM 605 OG SER A 45 -13.883 -1.442 1.553 1.00 0.00 O ATOM 0 H SER A 45 -9.983 -1.379 3.511 1.00 0.00 H new ATOM 0 HA SER A 45 -11.775 -0.370 2.704 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.164 -2.569 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.274 -3.029 2.713 1.00 0.00 H new ATOM 0 HG SER A 45 -14.358 -2.027 0.926 1.00 0.00 H new ATOM 611 N SER A 46 -12.844 -1.685 5.476 1.00 0.00 N ATOM 612 CA SER A 46 -13.648 -1.442 6.661 1.00 0.00 C ATOM 613 C SER A 46 -13.280 -0.120 7.345 1.00 0.00 C ATOM 614 O SER A 46 -14.079 0.819 7.364 1.00 0.00 O ATOM 615 CB SER A 46 -13.495 -2.600 7.640 1.00 0.00 C ATOM 616 OG SER A 46 -13.837 -3.834 7.028 1.00 0.00 O ATOM 0 H SER A 46 -12.213 -2.483 5.553 1.00 0.00 H new ATOM 0 HA SER A 46 -14.688 -1.366 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.467 -2.642 8.001 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.132 -2.432 8.509 1.00 0.00 H new ATOM 0 HG SER A 46 -13.729 -4.561 7.676 1.00 0.00 H new ATOM 622 N VAL A 47 -12.078 -0.054 7.908 1.00 0.00 N ATOM 623 CA VAL A 47 -11.640 1.141 8.634 1.00 0.00 C ATOM 624 C VAL A 47 -10.226 1.563 8.242 1.00 0.00 C ATOM 625 O VAL A 47 -9.916 2.754 8.184 1.00 0.00 O ATOM 626 CB VAL A 47 -11.703 0.933 10.176 1.00 0.00 C ATOM 627 CG1 VAL A 47 -13.141 0.777 10.637 1.00 0.00 C ATOM 628 CG2 VAL A 47 -10.881 -0.280 10.600 1.00 0.00 C ATOM 0 H VAL A 47 -11.391 -0.807 7.878 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.332 1.935 8.353 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.277 1.818 10.649 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.163 0.633 11.717 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.705 1.673 10.379 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.589 -0.087 10.146 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.943 -0.401 11.681 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.271 -1.173 10.112 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.840 -0.134 10.310 1.00 0.00 H new ATOM 638 N VAL A 48 -9.370 0.588 7.983 1.00 0.00 N ATOM 639 CA VAL A 48 -7.995 0.869 7.624 1.00 0.00 C ATOM 640 C VAL A 48 -7.896 1.238 6.157 1.00 0.00 C ATOM 641 O VAL A 48 -7.755 0.371 5.294 1.00 0.00 O ATOM 642 CB VAL A 48 -7.074 -0.330 7.918 1.00 0.00 C ATOM 643 CG1 VAL A 48 -5.616 0.029 7.667 1.00 0.00 C ATOM 644 CG2 VAL A 48 -7.275 -0.803 9.343 1.00 0.00 C ATOM 0 H VAL A 48 -9.606 -0.404 8.015 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.665 1.710 8.234 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.337 -1.143 7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.986 -0.834 7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.487 0.321 6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.329 0.858 8.314 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.619 -1.651 9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.038 0.007 10.032 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.313 -1.106 9.483 1.00 0.00 H new ATOM 654 N GLN A 49 -8.020 2.517 5.875 1.00 0.00 N ATOM 655 CA GLN A 49 -7.941 2.990 4.512 1.00 0.00 C ATOM 656 C GLN A 49 -6.485 3.164 4.085 1.00 0.00 C ATOM 657 O GLN A 49 -6.084 2.725 3.011 1.00 0.00 O ATOM 658 CB GLN A 49 -8.719 4.296 4.345 1.00 0.00 C ATOM 659 CG GLN A 49 -10.159 4.225 4.851 1.00 0.00 C ATOM 660 CD GLN A 49 -10.935 3.038 4.290 1.00 0.00 C ATOM 661 OE1 GLN A 49 -10.957 1.960 4.882 1.00 0.00 O ATOM 662 NE2 GLN A 49 -11.568 3.228 3.149 1.00 0.00 N ATOM 0 H GLN A 49 -8.176 3.246 6.571 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.397 2.241 3.864 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.196 5.090 4.877 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.728 4.571 3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.152 4.165 5.939 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.676 5.147 4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.526 4.137 2.688 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -12.099 2.466 2.728 1.00 0.00 H new ATOM 671 N ARG A 50 -5.710 3.825 4.928 1.00 0.00 N ATOM 672 CA ARG A 50 -4.291 4.007 4.683 1.00 0.00 C ATOM 673 C ARG A 50 -3.509 3.768 5.970 1.00 0.00 C ATOM 674 O ARG A 50 -2.275 3.844 5.985 1.00 0.00 O ATOM 675 CB ARG A 50 -4.015 5.433 4.174 1.00 0.00 C ATOM 676 CG ARG A 50 -2.561 5.667 3.791 1.00 0.00 C ATOM 677 CD ARG A 50 -2.306 7.089 3.329 1.00 0.00 C ATOM 678 NE ARG A 50 -1.486 7.844 4.274 1.00 0.00 N ATOM 679 CZ ARG A 50 -1.287 9.166 4.203 1.00 0.00 C ATOM 680 NH1 ARG A 50 -1.915 9.886 3.281 1.00 0.00 N ATOM 681 NH2 ARG A 50 -0.470 9.767 5.065 1.00 0.00 N ATOM 0 H ARG A 50 -6.044 4.247 5.794 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.974 3.291 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.647 5.631 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.299 6.148 4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.923 5.446 4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.281 4.974 2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.811 7.069 2.358 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.259 7.599 3.191 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.038 7.332 5.034 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.551 9.432 2.625 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.762 10.893 3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.006 9.220 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.320 10.774 5.008 1.00 0.00 H new ATOM 695 N ALA A 51 -4.245 3.470 7.052 1.00 0.00 N ATOM 696 CA ALA A 51 -3.680 3.323 8.402 1.00 0.00 C ATOM 697 C ALA A 51 -3.211 4.678 8.940 1.00 0.00 C ATOM 698 O ALA A 51 -3.575 5.077 10.036 1.00 0.00 O ATOM 699 CB ALA A 51 -2.554 2.292 8.436 1.00 0.00 C ATOM 0 H ALA A 51 -5.254 3.324 7.015 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.470 2.952 9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.163 2.213 9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.939 1.323 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.755 2.603 7.763 1.00 0.00 H new ATOM 705 N ALA A 52 -2.417 5.379 8.145 1.00 0.00 N ATOM 706 CA ALA A 52 -1.931 6.689 8.507 1.00 0.00 C ATOM 707 C ALA A 52 -3.062 7.710 8.505 1.00 0.00 C ATOM 708 O ALA A 52 -3.797 7.851 7.514 1.00 0.00 O ATOM 709 CB ALA A 52 -0.816 7.118 7.582 1.00 0.00 C ATOM 0 H ALA A 52 -2.096 5.051 7.234 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.531 6.635 9.520 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.464 8.108 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.007 6.406 7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.186 7.150 6.557 1.00 0.00 H new ATOM 715 N GLN A 53 -3.156 8.420 9.605 1.00 0.00 N ATOM 716 CA GLN A 53 -4.204 9.403 9.904 1.00 0.00 C ATOM 717 C GLN A 53 -4.487 10.432 8.810 1.00 0.00 C ATOM 718 O GLN A 53 -5.548 11.036 8.816 1.00 0.00 O ATOM 719 CB GLN A 53 -3.940 10.115 11.255 1.00 0.00 C ATOM 720 CG GLN A 53 -2.518 10.663 11.487 1.00 0.00 C ATOM 721 CD GLN A 53 -1.443 9.583 11.481 1.00 0.00 C ATOM 722 OE1 GLN A 53 -0.760 9.380 10.479 1.00 0.00 O ATOM 723 NE2 GLN A 53 -1.348 8.835 12.553 1.00 0.00 N ATOM 0 H GLN A 53 -2.477 8.333 10.361 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.111 8.802 9.966 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.642 10.944 11.345 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.169 9.415 12.058 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -2.289 11.397 10.714 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.490 11.187 12.442 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.931 9.033 13.366 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.691 8.055 12.574 1.00 0.00 H new ATOM 732 N SER A 54 -3.574 10.643 7.887 1.00 0.00 N ATOM 733 CA SER A 54 -3.821 11.607 6.826 1.00 0.00 C ATOM 734 C SER A 54 -5.011 11.174 5.956 1.00 0.00 C ATOM 735 O SER A 54 -6.026 11.865 5.897 1.00 0.00 O ATOM 736 CB SER A 54 -2.571 11.820 5.978 1.00 0.00 C ATOM 737 OG SER A 54 -2.812 12.728 4.919 1.00 0.00 O ATOM 0 H SER A 54 -2.670 10.173 7.845 1.00 0.00 H new ATOM 0 HA SER A 54 -4.075 12.560 7.291 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.764 12.197 6.606 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.239 10.865 5.571 1.00 0.00 H new ATOM 0 HG SER A 54 -1.992 12.845 4.395 1.00 0.00 H new ATOM 743 N LEU A 55 -4.885 10.031 5.295 1.00 0.00 N ATOM 744 CA LEU A 55 -5.956 9.519 4.438 1.00 0.00 C ATOM 745 C LEU A 55 -6.943 8.671 5.255 1.00 0.00 C ATOM 746 O LEU A 55 -8.112 8.541 4.907 1.00 0.00 O ATOM 747 CB LEU A 55 -5.354 8.701 3.292 1.00 0.00 C ATOM 748 CG LEU A 55 -6.257 8.430 2.082 1.00 0.00 C ATOM 749 CD1 LEU A 55 -6.766 9.736 1.484 1.00 0.00 C ATOM 750 CD2 LEU A 55 -5.490 7.630 1.029 1.00 0.00 C ATOM 0 H LEU A 55 -4.055 9.439 5.333 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.507 10.360 4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.461 9.217 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.029 7.741 3.694 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.117 7.849 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.404 9.520 0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.338 10.281 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.920 10.343 1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.137 7.441 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.617 8.197 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.168 6.681 1.457 1.00 0.00 H new ATOM 762 N ALA A 56 -6.450 8.109 6.354 1.00 0.00 N ATOM 763 CA ALA A 56 -7.249 7.261 7.242 1.00 0.00 C ATOM 764 C ALA A 56 -8.186 8.080 8.114 1.00 0.00 C ATOM 765 O ALA A 56 -9.053 7.526 8.785 1.00 0.00 O ATOM 766 CB ALA A 56 -6.374 6.367 8.089 1.00 0.00 C ATOM 0 H ALA A 56 -5.483 8.227 6.658 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.863 6.625 6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.000 5.752 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.778 5.723 7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.712 6.980 8.701 1.00 0.00 H new ATOM 772 N SER A 57 -7.942 9.392 8.156 1.00 0.00 N ATOM 773 CA SER A 57 -8.729 10.374 8.948 1.00 0.00 C ATOM 774 C SER A 57 -10.259 10.161 8.883 1.00 0.00 C ATOM 775 O SER A 57 -10.991 10.740 9.677 1.00 0.00 O ATOM 776 CB SER A 57 -8.396 11.780 8.467 1.00 0.00 C ATOM 777 OG SER A 57 -8.430 11.839 7.047 1.00 0.00 O ATOM 0 H SER A 57 -7.179 9.822 7.634 1.00 0.00 H new ATOM 0 HA SER A 57 -8.446 10.228 9.990 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.108 12.492 8.884 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.408 12.070 8.826 1.00 0.00 H new ATOM 0 HG SER A 57 -7.548 11.608 6.689 1.00 0.00 H new ATOM 783 N THR A 58 -10.713 9.333 7.946 1.00 0.00 N ATOM 784 CA THR A 58 -12.122 9.005 7.771 1.00 0.00 C ATOM 785 C THR A 58 -12.821 8.717 9.127 1.00 0.00 C ATOM 786 O THR A 58 -13.976 9.090 9.331 1.00 0.00 O ATOM 787 CB THR A 58 -12.276 7.784 6.814 1.00 0.00 C ATOM 788 OG1 THR A 58 -13.635 7.656 6.391 1.00 0.00 O ATOM 789 CG2 THR A 58 -11.825 6.477 7.481 1.00 0.00 C ATOM 0 H THR A 58 -10.101 8.865 7.277 1.00 0.00 H new ATOM 0 HA THR A 58 -12.610 9.873 7.328 1.00 0.00 H new ATOM 0 HB THR A 58 -11.635 7.965 5.951 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.719 6.887 5.789 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.948 5.650 6.781 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.776 6.557 7.767 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.430 6.294 8.369 1.00 0.00 H new ATOM 797 N LEU A 59 -12.113 8.045 10.037 1.00 0.00 N ATOM 798 CA LEU A 59 -12.643 7.754 11.364 1.00 0.00 C ATOM 799 C LEU A 59 -11.736 8.311 12.451 1.00 0.00 C ATOM 800 O LEU A 59 -11.887 7.978 13.626 1.00 0.00 O ATOM 801 CB LEU A 59 -12.822 6.246 11.559 1.00 0.00 C ATOM 802 CG LEU A 59 -13.952 5.596 10.763 1.00 0.00 C ATOM 803 CD1 LEU A 59 -13.955 4.099 10.988 1.00 0.00 C ATOM 804 CD2 LEU A 59 -15.295 6.193 11.156 1.00 0.00 C ATOM 0 H LEU A 59 -11.169 7.693 9.875 1.00 0.00 H new ATOM 0 HA LEU A 59 -13.616 8.238 11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.887 5.752 11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.994 6.055 12.618 1.00 0.00 H new ATOM 0 HG LEU A 59 -13.787 5.791 9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.765 3.647 10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.003 3.680 10.663 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.100 3.891 12.048 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.088 5.717 10.578 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.470 6.026 12.219 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.291 7.264 10.953 1.00 0.00 H new ATOM 816 N GLY A 60 -10.802 9.166 12.060 1.00 0.00 N ATOM 817 CA GLY A 60 -9.856 9.709 13.012 1.00 0.00 C ATOM 818 C GLY A 60 -8.928 8.639 13.530 1.00 0.00 C ATOM 819 O GLY A 60 -8.929 8.334 14.715 1.00 0.00 O ATOM 0 H GLY A 60 -10.683 9.493 11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.275 10.501 12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.394 10.162 13.845 1.00 0.00 H new ATOM 823 N VAL A 61 -8.131 8.073 12.640 1.00 0.00 N ATOM 824 CA VAL A 61 -7.228 6.992 13.012 1.00 0.00 C ATOM 825 C VAL A 61 -5.919 7.545 13.489 1.00 0.00 C ATOM 826 O VAL A 61 -5.080 7.930 12.699 1.00 0.00 O ATOM 827 CB VAL A 61 -6.947 6.053 11.816 1.00 0.00 C ATOM 828 CG1 VAL A 61 -6.051 4.899 12.235 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.240 5.539 11.205 1.00 0.00 C ATOM 0 H VAL A 61 -8.089 8.341 11.657 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.715 6.428 13.807 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.425 6.631 11.053 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.867 4.252 11.378 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.103 5.290 12.605 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.540 4.327 13.024 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.010 4.882 10.367 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.803 4.985 11.957 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.836 6.381 10.853 1.00 0.00 H new ATOM 839 N ASP A 62 -5.745 7.566 14.784 1.00 0.00 N ATOM 840 CA ASP A 62 -4.526 8.065 15.369 1.00 0.00 C ATOM 841 C ASP A 62 -4.389 7.584 16.791 1.00 0.00 C ATOM 842 O ASP A 62 -5.042 8.096 17.701 1.00 0.00 O ATOM 843 CB ASP A 62 -4.471 9.587 15.319 1.00 0.00 C ATOM 844 CG ASP A 62 -3.143 10.113 15.795 1.00 0.00 C ATOM 845 OD1 ASP A 62 -2.122 9.817 15.150 1.00 0.00 O ATOM 846 OD2 ASP A 62 -3.111 10.835 16.808 1.00 0.00 O ATOM 0 H ASP A 62 -6.437 7.241 15.459 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.692 7.678 14.783 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.651 9.924 14.298 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.268 10.000 15.937 1.00 0.00 H new ATOM 851 N GLY A 63 -3.583 6.564 16.966 1.00 0.00 N ATOM 852 CA GLY A 63 -3.340 6.006 18.274 1.00 0.00 C ATOM 853 C GLY A 63 -4.458 5.099 18.737 1.00 0.00 C ATOM 854 O GLY A 63 -4.247 3.913 18.971 1.00 0.00 O ATOM 0 H GLY A 63 -3.080 6.100 16.210 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.406 5.445 18.258 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.213 6.816 18.992 1.00 0.00 H new ATOM 858 N ASN A 64 -5.657 5.658 18.825 1.00 0.00 N ATOM 859 CA ASN A 64 -6.830 4.938 19.323 1.00 0.00 C ATOM 860 C ASN A 64 -7.165 3.753 18.427 1.00 0.00 C ATOM 861 O ASN A 64 -6.872 2.605 18.755 1.00 0.00 O ATOM 862 CB ASN A 64 -8.040 5.884 19.408 1.00 0.00 C ATOM 863 CG ASN A 64 -7.742 7.159 20.175 1.00 0.00 C ATOM 864 OD1 ASN A 64 -6.954 7.163 21.122 1.00 0.00 O ATOM 865 ND2 ASN A 64 -8.351 8.251 19.754 1.00 0.00 N ATOM 0 H ASN A 64 -5.848 6.623 18.554 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.596 4.563 20.319 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.365 6.140 18.400 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.869 5.363 19.888 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.176 9.143 20.217 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.996 8.203 18.966 1.00 0.00 H new ATOM 872 N ASN A 65 -7.769 4.044 17.294 1.00 0.00 N ATOM 873 CA ASN A 65 -8.148 3.022 16.332 1.00 0.00 C ATOM 874 C ASN A 65 -7.000 2.711 15.380 1.00 0.00 C ATOM 875 O ASN A 65 -7.185 2.041 14.371 1.00 0.00 O ATOM 876 CB ASN A 65 -9.416 3.431 15.561 1.00 0.00 C ATOM 877 CG ASN A 65 -9.317 4.801 14.912 1.00 0.00 C ATOM 878 OD1 ASN A 65 -8.603 5.684 15.393 1.00 0.00 O ATOM 879 ND2 ASN A 65 -10.044 4.993 13.829 1.00 0.00 N ATOM 0 H ASN A 65 -8.012 4.993 17.011 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.375 2.111 16.885 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.619 2.687 14.791 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.265 3.422 16.244 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.028 5.898 13.358 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.622 4.237 13.462 1.00 0.00 H new ATOM 886 N LEU A 66 -5.822 3.221 15.705 1.00 0.00 N ATOM 887 CA LEU A 66 -4.623 2.953 14.928 1.00 0.00 C ATOM 888 C LEU A 66 -3.927 1.694 15.443 1.00 0.00 C ATOM 889 O LEU A 66 -3.715 0.737 14.697 1.00 0.00 O ATOM 890 CB LEU A 66 -3.682 4.156 14.981 1.00 0.00 C ATOM 891 CG LEU A 66 -2.346 4.020 14.240 1.00 0.00 C ATOM 892 CD1 LEU A 66 -2.559 3.533 12.813 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.616 5.354 14.236 1.00 0.00 C ATOM 0 H LEU A 66 -5.671 3.829 16.510 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.906 2.784 13.889 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.210 5.019 14.575 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.470 4.376 16.027 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.739 3.281 14.762 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.596 3.446 12.311 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.049 2.560 12.830 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.185 4.245 12.275 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.668 5.249 13.708 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.229 6.103 13.735 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.426 5.668 15.262 1.00 0.00 H new ATOM 905 N ALA A 67 -3.574 1.706 16.725 1.00 0.00 N ATOM 906 CA ALA A 67 -2.920 0.566 17.344 1.00 0.00 C ATOM 907 C ALA A 67 -3.929 -0.535 17.611 1.00 0.00 C ATOM 908 O ALA A 67 -3.649 -1.722 17.421 1.00 0.00 O ATOM 909 CB ALA A 67 -2.232 0.983 18.637 1.00 0.00 C ATOM 0 H ALA A 67 -3.731 2.495 17.353 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.162 0.186 16.660 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.747 0.117 19.087 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.484 1.746 18.421 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.972 1.385 19.329 1.00 0.00 H new ATOM 915 N ARG A 68 -5.099 -0.134 18.047 1.00 0.00 N ATOM 916 CA ARG A 68 -6.175 -1.056 18.310 1.00 0.00 C ATOM 917 C ARG A 68 -7.222 -0.897 17.235 1.00 0.00 C ATOM 918 O ARG A 68 -7.146 0.037 16.456 1.00 0.00 O ATOM 919 CB ARG A 68 -6.776 -0.793 19.686 1.00 0.00 C ATOM 920 CG ARG A 68 -5.775 -0.926 20.815 1.00 0.00 C ATOM 921 CD ARG A 68 -6.427 -0.735 22.166 1.00 0.00 C ATOM 922 NE ARG A 68 -5.458 -0.846 23.249 1.00 0.00 N ATOM 923 CZ ARG A 68 -5.723 -1.368 24.449 1.00 0.00 C ATOM 924 NH1 ARG A 68 -6.935 -1.852 24.719 1.00 0.00 N ATOM 925 NH2 ARG A 68 -4.776 -1.414 25.373 1.00 0.00 N ATOM 0 H ARG A 68 -5.331 0.842 18.229 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.795 -2.078 18.301 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.200 0.211 19.703 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.597 -1.489 19.855 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.307 -1.910 20.773 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.982 -0.190 20.686 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.906 0.243 22.204 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.211 -1.480 22.301 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.513 -0.501 23.079 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.665 -1.825 24.007 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.132 -2.250 25.637 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.845 -1.051 25.168 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.977 -1.813 26.290 1.00 0.00 H new ATOM 939 N PHE A 69 -8.195 -1.805 17.194 1.00 0.00 N ATOM 940 CA PHE A 69 -9.265 -1.787 16.176 1.00 0.00 C ATOM 941 C PHE A 69 -8.720 -2.095 14.775 1.00 0.00 C ATOM 942 O PHE A 69 -9.104 -3.083 14.170 1.00 0.00 O ATOM 943 CB PHE A 69 -10.034 -0.450 16.178 1.00 0.00 C ATOM 944 CG PHE A 69 -10.743 -0.159 17.474 1.00 0.00 C ATOM 945 CD1 PHE A 69 -12.026 -0.627 17.696 1.00 0.00 C ATOM 946 CD2 PHE A 69 -10.123 0.581 18.471 1.00 0.00 C ATOM 947 CE1 PHE A 69 -12.678 -0.362 18.885 1.00 0.00 C ATOM 948 CE2 PHE A 69 -10.770 0.848 19.659 1.00 0.00 C ATOM 949 CZ PHE A 69 -12.047 0.376 19.867 1.00 0.00 C ATOM 0 H PHE A 69 -8.272 -2.575 17.859 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.967 -2.577 16.445 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.336 0.360 15.967 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.765 -0.461 15.369 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.523 -1.206 16.932 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.121 0.952 18.314 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.680 -0.732 19.046 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.276 1.427 20.426 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.555 0.583 20.798 1.00 0.00 H new ATOM 959 N ALA A 70 -7.818 -1.252 14.281 1.00 0.00 N ATOM 960 CA ALA A 70 -7.217 -1.429 12.961 1.00 0.00 C ATOM 961 C ALA A 70 -6.550 -2.793 12.842 1.00 0.00 C ATOM 962 O ALA A 70 -6.905 -3.595 11.977 1.00 0.00 O ATOM 963 CB ALA A 70 -6.204 -0.329 12.693 1.00 0.00 C ATOM 0 H ALA A 70 -7.483 -0.429 14.782 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.012 -1.371 12.217 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.764 -0.473 11.706 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.701 0.640 12.731 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.420 -0.365 13.449 1.00 0.00 H new ATOM 969 N VAL A 71 -5.592 -3.057 13.726 1.00 0.00 N ATOM 970 CA VAL A 71 -4.874 -4.329 13.731 1.00 0.00 C ATOM 971 C VAL A 71 -5.834 -5.494 13.950 1.00 0.00 C ATOM 972 O VAL A 71 -5.694 -6.541 13.332 1.00 0.00 O ATOM 973 CB VAL A 71 -3.750 -4.348 14.810 1.00 0.00 C ATOM 974 CG1 VAL A 71 -3.054 -5.706 14.857 1.00 0.00 C ATOM 975 CG2 VAL A 71 -2.739 -3.255 14.525 1.00 0.00 C ATOM 0 H VAL A 71 -5.294 -2.404 14.451 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.405 -4.440 12.753 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.209 -4.169 15.782 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.275 -5.689 15.619 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.782 -6.480 15.100 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.607 -5.920 13.886 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.957 -3.276 15.284 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.295 -3.417 13.543 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.237 -2.285 14.543 1.00 0.00 H new ATOM 985 N GLN A 72 -6.830 -5.283 14.789 1.00 0.00 N ATOM 986 CA GLN A 72 -7.797 -6.326 15.106 1.00 0.00 C ATOM 987 C GLN A 72 -8.707 -6.620 13.907 1.00 0.00 C ATOM 988 O GLN A 72 -9.110 -7.763 13.685 1.00 0.00 O ATOM 989 CB GLN A 72 -8.631 -5.928 16.324 1.00 0.00 C ATOM 990 CG GLN A 72 -7.799 -5.598 17.559 1.00 0.00 C ATOM 991 CD GLN A 72 -6.881 -6.733 17.975 1.00 0.00 C ATOM 992 OE1 GLN A 72 -7.185 -7.906 17.764 1.00 0.00 O ATOM 993 NE2 GLN A 72 -5.752 -6.392 18.571 1.00 0.00 N ATOM 0 H GLN A 72 -6.994 -4.397 15.267 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.245 -7.236 15.341 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.242 -5.063 16.067 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.316 -6.741 16.565 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.201 -4.708 17.361 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.466 -5.356 18.386 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -5.535 -5.408 18.728 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.097 -7.113 18.874 1.00 0.00 H new ATOM 1002 N ALA A 73 -9.017 -5.588 13.138 1.00 0.00 N ATOM 1003 CA ALA A 73 -9.862 -5.732 11.964 1.00 0.00 C ATOM 1004 C ALA A 73 -9.087 -6.351 10.809 1.00 0.00 C ATOM 1005 O ALA A 73 -9.585 -7.242 10.128 1.00 0.00 O ATOM 1006 CB ALA A 73 -10.439 -4.386 11.553 1.00 0.00 C ATOM 0 H ALA A 73 -8.693 -4.636 13.308 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.684 -6.400 12.220 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.069 -4.514 10.673 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.036 -3.981 12.370 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.627 -3.697 11.321 1.00 0.00 H new ATOM 1012 N VAL A 74 -7.864 -5.881 10.600 1.00 0.00 N ATOM 1013 CA VAL A 74 -7.025 -6.392 9.523 1.00 0.00 C ATOM 1014 C VAL A 74 -6.617 -7.834 9.792 1.00 0.00 C ATOM 1015 O VAL A 74 -6.622 -8.670 8.889 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.760 -5.520 9.320 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.861 -6.106 8.244 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.152 -4.106 8.953 1.00 0.00 C ATOM 0 H VAL A 74 -7.431 -5.148 11.161 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.618 -6.353 8.609 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.206 -5.505 10.259 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.981 -5.475 8.122 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.550 -7.109 8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.406 -6.155 7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.254 -3.504 8.813 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.729 -4.117 8.028 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.756 -3.677 9.753 1.00 0.00 H new ATOM 1028 N SER A 75 -6.303 -8.130 11.044 1.00 0.00 N ATOM 1029 CA SER A 75 -5.888 -9.467 11.435 1.00 0.00 C ATOM 1030 C SER A 75 -7.059 -10.455 11.355 1.00 0.00 C ATOM 1031 O SER A 75 -6.878 -11.665 11.525 1.00 0.00 O ATOM 1032 CB SER A 75 -5.303 -9.446 12.852 1.00 0.00 C ATOM 1033 OG SER A 75 -4.785 -10.716 13.217 1.00 0.00 O ATOM 0 H SER A 75 -6.328 -7.457 11.810 1.00 0.00 H new ATOM 0 HA SER A 75 -5.118 -9.801 10.739 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.512 -8.698 12.910 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.075 -9.149 13.562 1.00 0.00 H new ATOM 0 HG SER A 75 -5.317 -11.421 12.792 1.00 0.00 H new ATOM 1039 N ARG A 76 -8.253 -9.935 11.091 1.00 0.00 N ATOM 1040 CA ARG A 76 -9.434 -10.767 10.974 1.00 0.00 C ATOM 1041 C ARG A 76 -9.487 -11.423 9.594 1.00 0.00 C ATOM 1042 O ARG A 76 -10.161 -12.433 9.400 1.00 0.00 O ATOM 1043 CB ARG A 76 -10.697 -9.943 11.227 1.00 0.00 C ATOM 1044 CG ARG A 76 -11.964 -10.771 11.320 1.00 0.00 C ATOM 1045 CD ARG A 76 -13.156 -9.918 11.700 1.00 0.00 C ATOM 1046 NE ARG A 76 -14.348 -10.729 11.927 1.00 0.00 N ATOM 1047 CZ ARG A 76 -14.877 -10.973 13.130 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -14.298 -10.494 14.230 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -15.979 -11.707 13.233 1.00 0.00 N ATOM 0 H ARG A 76 -8.423 -8.939 10.955 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.381 -11.552 11.728 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -10.573 -9.382 12.153 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.810 -9.214 10.425 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -12.153 -11.258 10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.830 -11.561 12.059 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.925 -9.350 12.601 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.353 -9.194 10.909 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.808 -11.137 11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.446 -9.938 14.157 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.706 -10.684 15.145 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.421 -12.084 12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -16.383 -11.894 14.151 1.00 0.00 H new ATOM 1063 N LEU A 77 -8.770 -10.840 8.639 1.00 0.00 N ATOM 1064 CA LEU A 77 -8.696 -11.400 7.297 1.00 0.00 C ATOM 1065 C LEU A 77 -7.979 -12.750 7.342 1.00 0.00 C ATOM 1066 O LEU A 77 -7.104 -12.968 8.193 1.00 0.00 O ATOM 1067 CB LEU A 77 -7.982 -10.438 6.322 1.00 0.00 C ATOM 1068 CG LEU A 77 -8.805 -9.241 5.803 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -9.146 -8.267 6.921 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -8.060 -8.528 4.683 1.00 0.00 C ATOM 0 H LEU A 77 -8.234 -9.982 8.770 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.712 -11.544 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.092 -10.050 6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.642 -11.015 5.462 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.743 -9.632 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.726 -7.437 6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.730 -8.780 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.226 -7.885 7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.655 -7.686 4.329 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.103 -8.164 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.888 -9.222 3.861 1.00 0.00 H new ATOM 1171 N TYR A 86 -2.990 -10.728 1.574 1.00 0.00 N ATOM 1172 CA TYR A 86 -3.151 -9.296 1.760 1.00 0.00 C ATOM 1173 C TYR A 86 -2.498 -8.552 0.590 1.00 0.00 C ATOM 1174 O TYR A 86 -2.186 -9.143 -0.441 1.00 0.00 O ATOM 1175 CB TYR A 86 -2.479 -8.854 3.067 1.00 0.00 C ATOM 1176 CG TYR A 86 -3.168 -9.309 4.333 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -2.995 -10.596 4.823 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -3.969 -8.435 5.049 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -3.602 -10.998 5.995 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -4.583 -8.828 6.216 1.00 0.00 C ATOM 1181 CZ TYR A 86 -4.396 -10.111 6.687 1.00 0.00 C ATOM 1182 OH TYR A 86 -4.988 -10.502 7.864 1.00 0.00 O ATOM 0 HA TYR A 86 -4.215 -9.064 1.803 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -1.456 -9.229 3.075 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.420 -7.766 3.076 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.376 -11.293 4.279 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.114 -7.428 4.685 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.455 -12.001 6.367 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.208 -8.136 6.760 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.445 -9.736 8.271 1.00 0.00 H new ATOM 1192 N ALA A 87 -2.281 -7.259 0.759 1.00 0.00 N ATOM 1193 CA ALA A 87 -1.587 -6.459 -0.246 1.00 0.00 C ATOM 1194 C ALA A 87 -0.075 -6.646 -0.090 1.00 0.00 C ATOM 1195 O ALA A 87 0.694 -5.686 -0.105 1.00 0.00 O ATOM 1196 CB ALA A 87 -1.962 -4.999 -0.085 1.00 0.00 C ATOM 0 H ALA A 87 -2.575 -6.736 1.584 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.881 -6.785 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.442 -4.405 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.038 -4.884 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.675 -4.657 0.910 1.00 0.00 H new ATOM 1202 N GLN A 88 0.324 -7.899 0.039 1.00 0.00 N ATOM 1203 CA GLN A 88 1.701 -8.277 0.292 1.00 0.00 C ATOM 1204 C GLN A 88 2.546 -8.195 -0.975 1.00 0.00 C ATOM 1205 O GLN A 88 3.518 -7.455 -1.038 1.00 0.00 O ATOM 1206 CB GLN A 88 1.722 -9.704 0.827 1.00 0.00 C ATOM 1207 CG GLN A 88 3.052 -10.151 1.401 1.00 0.00 C ATOM 1208 CD GLN A 88 3.440 -9.391 2.650 1.00 0.00 C ATOM 1209 OE1 GLN A 88 4.608 -9.218 2.938 1.00 0.00 O ATOM 1210 NE2 GLN A 88 2.456 -8.944 3.405 1.00 0.00 N ATOM 0 H GLN A 88 -0.311 -8.694 -0.030 1.00 0.00 H new ATOM 0 HA GLN A 88 2.126 -7.585 1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.959 -9.798 1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.444 -10.383 0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.004 -11.216 1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.829 -10.022 0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.487 -9.109 3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.663 -8.434 4.263 1.00 0.00 H new ATOM 1219 N ALA A 89 2.155 -8.959 -1.982 1.00 0.00 N ATOM 1220 CA ALA A 89 2.897 -9.023 -3.235 1.00 0.00 C ATOM 1221 C ALA A 89 2.935 -7.669 -3.939 1.00 0.00 C ATOM 1222 O ALA A 89 3.954 -7.277 -4.503 1.00 0.00 O ATOM 1223 CB ALA A 89 2.295 -10.082 -4.144 1.00 0.00 C ATOM 0 H ALA A 89 1.323 -9.548 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 89 3.926 -9.297 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.856 -10.122 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.341 -11.053 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.256 -9.831 -4.356 1.00 0.00 H new ATOM 1229 N PHE A 90 1.829 -6.946 -3.876 1.00 0.00 N ATOM 1230 CA PHE A 90 1.720 -5.647 -4.538 1.00 0.00 C ATOM 1231 C PHE A 90 2.331 -4.534 -3.692 1.00 0.00 C ATOM 1232 O PHE A 90 2.086 -3.353 -3.941 1.00 0.00 O ATOM 1233 CB PHE A 90 0.253 -5.327 -4.844 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.379 -6.266 -5.831 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -0.229 -6.060 -7.193 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -1.120 -7.356 -5.399 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -0.804 -6.919 -8.106 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -1.699 -8.221 -6.309 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.540 -8.002 -7.665 1.00 0.00 C ATOM 0 H PHE A 90 0.990 -7.234 -3.373 1.00 0.00 H new ATOM 0 HA PHE A 90 2.278 -5.705 -5.472 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.316 -5.354 -3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.186 -4.310 -5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.346 -5.216 -7.544 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.246 -7.531 -4.341 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.679 -6.745 -9.165 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.274 -9.066 -5.961 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.990 -8.676 -8.378 1.00 0.00 H new ATOM 1249 N SER A 91 3.147 -4.914 -2.718 1.00 0.00 N ATOM 1250 CA SER A 91 3.768 -3.967 -1.809 1.00 0.00 C ATOM 1251 C SER A 91 4.547 -2.880 -2.564 1.00 0.00 C ATOM 1252 O SER A 91 4.473 -1.708 -2.210 1.00 0.00 O ATOM 1253 CB SER A 91 4.693 -4.701 -0.829 1.00 0.00 C ATOM 1254 OG SER A 91 5.065 -3.868 0.254 1.00 0.00 O ATOM 0 H SER A 91 3.395 -5.887 -2.538 1.00 0.00 H new ATOM 0 HA SER A 91 2.972 -3.474 -1.250 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.191 -5.591 -0.450 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.587 -5.039 -1.354 1.00 0.00 H new ATOM 0 HG SER A 91 5.222 -4.417 1.050 1.00 0.00 H new ATOM 1260 N SER A 92 5.262 -3.261 -3.615 1.00 0.00 N ATOM 1261 CA SER A 92 6.066 -2.312 -4.350 1.00 0.00 C ATOM 1262 C SER A 92 5.209 -1.367 -5.191 1.00 0.00 C ATOM 1263 O SER A 92 5.503 -0.182 -5.280 1.00 0.00 O ATOM 1264 CB SER A 92 7.062 -3.035 -5.237 1.00 0.00 C ATOM 1265 OG SER A 92 8.104 -2.159 -5.652 1.00 0.00 O ATOM 0 H SER A 92 5.297 -4.216 -3.971 1.00 0.00 H new ATOM 0 HA SER A 92 6.605 -1.710 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.487 -3.882 -4.698 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.551 -3.438 -6.111 1.00 0.00 H new ATOM 0 HG SER A 92 7.851 -1.725 -6.493 1.00 0.00 H new ATOM 1271 N ALA A 93 4.147 -1.893 -5.791 1.00 0.00 N ATOM 1272 CA ALA A 93 3.286 -1.086 -6.654 1.00 0.00 C ATOM 1273 C ALA A 93 2.429 -0.134 -5.838 1.00 0.00 C ATOM 1274 O ALA A 93 2.082 0.947 -6.293 1.00 0.00 O ATOM 1275 CB ALA A 93 2.408 -1.979 -7.519 1.00 0.00 C ATOM 0 H ALA A 93 3.861 -2.868 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 93 3.928 -0.491 -7.304 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.774 -1.360 -8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.037 -2.614 -8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.783 -2.603 -6.880 1.00 0.00 H new ATOM 1281 N LEU A 94 2.078 -0.552 -4.639 1.00 0.00 N ATOM 1282 CA LEU A 94 1.272 0.270 -3.763 1.00 0.00 C ATOM 1283 C LEU A 94 2.139 1.254 -2.984 1.00 0.00 C ATOM 1284 O LEU A 94 1.647 2.234 -2.445 1.00 0.00 O ATOM 1285 CB LEU A 94 0.470 -0.605 -2.809 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.444 -1.632 -3.473 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.135 -2.478 -2.428 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -1.461 -0.946 -4.369 1.00 0.00 C ATOM 0 H LEU A 94 2.339 -1.458 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 94 0.580 0.845 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.165 -1.132 -2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.138 0.041 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 94 0.168 -2.286 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.783 -3.205 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.388 -3.002 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.733 -1.838 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.102 -1.696 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.070 -0.266 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.942 -0.384 -5.145 1.00 0.00 H new ATOM 1300 N PHE A 95 3.422 0.954 -2.873 1.00 0.00 N ATOM 1301 CA PHE A 95 4.343 1.853 -2.199 1.00 0.00 C ATOM 1302 C PHE A 95 4.898 2.872 -3.184 1.00 0.00 C ATOM 1303 O PHE A 95 4.861 4.071 -2.933 1.00 0.00 O ATOM 1304 CB PHE A 95 5.486 1.074 -1.532 1.00 0.00 C ATOM 1305 CG PHE A 95 6.328 1.907 -0.603 1.00 0.00 C ATOM 1306 CD1 PHE A 95 5.954 2.077 0.722 1.00 0.00 C ATOM 1307 CD2 PHE A 95 7.491 2.516 -1.050 1.00 0.00 C ATOM 1308 CE1 PHE A 95 6.722 2.838 1.582 1.00 0.00 C ATOM 1309 CE2 PHE A 95 8.263 3.280 -0.193 1.00 0.00 C ATOM 1310 CZ PHE A 95 7.878 3.441 1.124 1.00 0.00 C ATOM 0 H PHE A 95 3.847 0.102 -3.238 1.00 0.00 H new ATOM 0 HA PHE A 95 3.795 2.380 -1.418 1.00 0.00 H new ATOM 0 HB2 PHE A 95 5.066 0.237 -0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.126 0.652 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.051 1.609 1.086 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.797 2.393 -2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.419 2.962 2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.166 3.750 -0.553 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.479 4.037 1.794 1.00 0.00 H new ATOM 1320 N ASN A 96 5.391 2.360 -4.317 1.00 0.00 N ATOM 1321 CA ASN A 96 6.023 3.165 -5.361 1.00 0.00 C ATOM 1322 C ASN A 96 7.183 3.979 -4.825 1.00 0.00 C ATOM 1323 O ASN A 96 7.035 5.129 -4.438 1.00 0.00 O ATOM 1324 CB ASN A 96 5.014 4.041 -6.115 1.00 0.00 C ATOM 1325 CG ASN A 96 4.203 3.241 -7.111 1.00 0.00 C ATOM 1326 OD1 ASN A 96 4.673 2.239 -7.646 1.00 0.00 O ATOM 1327 ND2 ASN A 96 2.993 3.681 -7.381 1.00 0.00 N ATOM 0 H ASN A 96 5.361 1.364 -4.535 1.00 0.00 H new ATOM 0 HA ASN A 96 6.432 2.462 -6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 96 4.343 4.518 -5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.544 4.838 -6.636 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.409 3.186 -8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 96 2.639 4.517 -6.916 1.00 0.00 H new ATOM 1334 N ALA A 97 8.353 3.357 -4.812 1.00 0.00 N ATOM 1335 CA ALA A 97 9.564 3.992 -4.308 1.00 0.00 C ATOM 1336 C ALA A 97 10.112 5.027 -5.299 1.00 0.00 C ATOM 1337 O ALA A 97 11.090 5.713 -5.016 1.00 0.00 O ATOM 1338 CB ALA A 97 10.616 2.933 -4.006 1.00 0.00 C ATOM 0 H ALA A 97 8.490 2.404 -5.148 1.00 0.00 H new ATOM 0 HA ALA A 97 9.313 4.521 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.519 3.414 -3.630 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.232 2.243 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.851 2.383 -4.917 1.00 0.00 H new ATOM 1344 N GLY A 98 9.486 5.107 -6.470 1.00 0.00 N ATOM 1345 CA GLY A 98 9.897 6.073 -7.481 1.00 0.00 C ATOM 1346 C GLY A 98 11.054 5.583 -8.330 1.00 0.00 C ATOM 1347 O GLY A 98 11.440 6.232 -9.295 1.00 0.00 O ATOM 0 H GLY A 98 8.698 4.518 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.049 6.298 -8.127 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.181 7.005 -6.992 1.00 0.00 H new ATOM 1351 N VAL A 99 11.592 4.433 -7.980 1.00 0.00 N ATOM 1352 CA VAL A 99 12.736 3.875 -8.693 1.00 0.00 C ATOM 1353 C VAL A 99 12.273 2.896 -9.773 1.00 0.00 C ATOM 1354 O VAL A 99 13.061 2.440 -10.608 1.00 0.00 O ATOM 1355 CB VAL A 99 13.694 3.150 -7.716 1.00 0.00 C ATOM 1356 CG1 VAL A 99 14.991 2.767 -8.410 1.00 0.00 C ATOM 1357 CG2 VAL A 99 13.969 4.015 -6.495 1.00 0.00 C ATOM 0 H VAL A 99 11.258 3.861 -7.204 1.00 0.00 H new ATOM 0 HA VAL A 99 13.269 4.701 -9.164 1.00 0.00 H new ATOM 0 HB VAL A 99 13.208 2.233 -7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.646 2.259 -7.702 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.774 2.101 -9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.484 3.665 -8.781 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.644 3.488 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.428 4.952 -6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.032 4.225 -5.979 1.00 0.00 H new ATOM 1367 N LEU A 100 10.991 2.612 -9.775 1.00 0.00 N ATOM 1368 CA LEU A 100 10.432 1.650 -10.703 1.00 0.00 C ATOM 1369 C LEU A 100 10.106 2.291 -12.050 1.00 0.00 C ATOM 1370 O LEU A 100 10.357 3.483 -12.262 1.00 0.00 O ATOM 1371 CB LEU A 100 9.190 0.955 -10.116 1.00 0.00 C ATOM 1372 CG LEU A 100 7.945 1.818 -9.860 1.00 0.00 C ATOM 1373 CD1 LEU A 100 6.718 0.932 -9.771 1.00 0.00 C ATOM 1374 CD2 LEU A 100 8.084 2.632 -8.578 1.00 0.00 C ATOM 0 H LEU A 100 10.311 3.034 -9.142 1.00 0.00 H new ATOM 0 HA LEU A 100 11.195 0.890 -10.871 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.906 0.148 -10.792 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.478 0.493 -9.172 1.00 0.00 H new ATOM 0 HG LEU A 100 7.840 2.514 -10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.837 1.548 -9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.594 0.388 -10.707 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.840 0.223 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.186 3.231 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.217 1.958 -7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.949 3.290 -8.657 1.00 0.00 H new ATOM 1386 N ASN A 101 9.545 1.499 -12.950 1.00 0.00 N ATOM 1387 CA ASN A 101 9.247 1.954 -14.297 1.00 0.00 C ATOM 1388 C ASN A 101 8.032 2.865 -14.319 1.00 0.00 C ATOM 1389 O ASN A 101 6.952 2.506 -13.844 1.00 0.00 O ATOM 1390 CB ASN A 101 9.078 0.761 -15.267 1.00 0.00 C ATOM 1391 CG ASN A 101 8.065 -0.284 -14.805 1.00 0.00 C ATOM 1392 OD1 ASN A 101 7.856 -0.491 -13.606 1.00 0.00 O ATOM 1393 ND2 ASN A 101 7.442 -0.957 -15.752 1.00 0.00 N ATOM 0 H ASN A 101 9.285 0.529 -12.769 1.00 0.00 H new ATOM 0 HA ASN A 101 10.099 2.540 -14.643 1.00 0.00 H new ATOM 0 HB2 ASN A 101 8.772 1.141 -16.242 1.00 0.00 H new ATOM 0 HB3 ASN A 101 10.046 0.278 -15.402 1.00 0.00 H new ATOM 0 HD21 ASN A 101 6.762 -1.676 -15.504 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.640 -0.759 -16.733 1.00 0.00 H new ATOM 1400 N ALA A 102 8.218 4.048 -14.881 1.00 0.00 N ATOM 1401 CA ALA A 102 7.173 5.055 -14.933 1.00 0.00 C ATOM 1402 C ALA A 102 6.095 4.682 -15.934 1.00 0.00 C ATOM 1403 O ALA A 102 4.947 5.091 -15.798 1.00 0.00 O ATOM 1404 CB ALA A 102 7.766 6.413 -15.273 1.00 0.00 C ATOM 0 H ALA A 102 9.096 4.336 -15.313 1.00 0.00 H new ATOM 0 HA ALA A 102 6.709 5.108 -13.948 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.971 7.158 -15.309 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.493 6.694 -14.511 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.259 6.362 -16.244 1.00 0.00 H new ATOM 1410 N SER A 103 6.459 3.867 -16.915 1.00 0.00 N ATOM 1411 CA SER A 103 5.531 3.462 -17.955 1.00 0.00 C ATOM 1412 C SER A 103 4.462 2.567 -17.364 1.00 0.00 C ATOM 1413 O SER A 103 3.327 2.548 -17.818 1.00 0.00 O ATOM 1414 CB SER A 103 6.279 2.740 -19.070 1.00 0.00 C ATOM 1415 OG SER A 103 7.345 3.539 -19.564 1.00 0.00 O ATOM 0 H SER A 103 7.395 3.473 -17.010 1.00 0.00 H new ATOM 0 HA SER A 103 5.054 4.346 -18.377 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.671 1.794 -18.697 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.591 2.503 -19.881 1.00 0.00 H new ATOM 0 HG SER A 103 7.812 3.056 -20.277 1.00 0.00 H new ATOM 1421 N ASN A 104 4.842 1.851 -16.329 1.00 0.00 N ATOM 1422 CA ASN A 104 3.937 0.981 -15.609 1.00 0.00 C ATOM 1423 C ASN A 104 2.781 1.798 -15.039 1.00 0.00 C ATOM 1424 O ASN A 104 1.607 1.505 -15.280 1.00 0.00 O ATOM 1425 CB ASN A 104 4.719 0.293 -14.491 1.00 0.00 C ATOM 1426 CG ASN A 104 3.870 -0.519 -13.528 1.00 0.00 C ATOM 1427 OD1 ASN A 104 2.840 -1.077 -13.893 1.00 0.00 O ATOM 1428 ND2 ASN A 104 4.320 -0.597 -12.289 1.00 0.00 N ATOM 0 H ASN A 104 5.793 1.856 -15.961 1.00 0.00 H new ATOM 0 HA ASN A 104 3.520 0.227 -16.277 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.465 -0.364 -14.939 1.00 0.00 H new ATOM 0 HB3 ASN A 104 5.261 1.051 -13.926 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.806 -1.137 -11.593 1.00 0.00 H new ATOM 0 HD22 ASN A 104 5.181 -0.117 -12.028 1.00 0.00 H new ATOM 1435 N ILE A 105 3.121 2.851 -14.332 1.00 0.00 N ATOM 1436 CA ILE A 105 2.126 3.709 -13.715 1.00 0.00 C ATOM 1437 C ILE A 105 1.432 4.590 -14.748 1.00 0.00 C ATOM 1438 O ILE A 105 0.217 4.807 -14.679 1.00 0.00 O ATOM 1439 CB ILE A 105 2.736 4.572 -12.553 1.00 0.00 C ATOM 1440 CG1 ILE A 105 2.982 3.718 -11.297 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.858 5.764 -12.210 1.00 0.00 C ATOM 1442 CD1 ILE A 105 4.105 2.716 -11.431 1.00 0.00 C ATOM 0 H ILE A 105 4.086 3.139 -14.167 1.00 0.00 H new ATOM 0 HA ILE A 105 1.373 3.056 -13.273 1.00 0.00 H new ATOM 0 HB ILE A 105 3.693 4.952 -12.912 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.201 4.381 -10.460 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.064 3.185 -11.050 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.317 6.333 -11.402 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.751 6.401 -13.088 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.875 5.413 -11.894 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.208 2.158 -10.500 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.882 2.026 -12.245 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.037 3.240 -11.645 1.00 0.00 H new ATOM 1454 N ASP A 106 2.188 5.056 -15.714 1.00 0.00 N ATOM 1455 CA ASP A 106 1.649 5.910 -16.758 1.00 0.00 C ATOM 1456 C ASP A 106 0.658 5.161 -17.651 1.00 0.00 C ATOM 1457 O ASP A 106 -0.333 5.735 -18.103 1.00 0.00 O ATOM 1458 CB ASP A 106 2.779 6.491 -17.607 1.00 0.00 C ATOM 1459 CG ASP A 106 2.271 7.297 -18.780 1.00 0.00 C ATOM 1460 OD1 ASP A 106 1.909 8.478 -18.586 1.00 0.00 O ATOM 1461 OD2 ASP A 106 2.229 6.757 -19.901 1.00 0.00 O ATOM 0 H ASP A 106 3.185 4.859 -15.803 1.00 0.00 H new ATOM 0 HA ASP A 106 1.110 6.722 -16.269 1.00 0.00 H new ATOM 0 HB2 ASP A 106 3.409 7.124 -16.982 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.407 5.679 -17.974 1.00 0.00 H new ATOM 1466 N THR A 107 0.911 3.878 -17.880 1.00 0.00 N ATOM 1467 CA THR A 107 0.074 3.086 -18.778 1.00 0.00 C ATOM 1468 C THR A 107 -1.108 2.419 -18.067 1.00 0.00 C ATOM 1469 O THR A 107 -2.235 2.516 -18.525 1.00 0.00 O ATOM 1470 CB THR A 107 0.899 2.017 -19.528 1.00 0.00 C ATOM 1471 OG1 THR A 107 1.905 2.656 -20.326 1.00 0.00 O ATOM 1472 CG2 THR A 107 0.009 1.167 -20.427 1.00 0.00 C ATOM 0 H THR A 107 1.685 3.364 -17.459 1.00 0.00 H new ATOM 0 HA THR A 107 -0.333 3.796 -19.498 1.00 0.00 H new ATOM 0 HB THR A 107 1.366 1.367 -18.788 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.696 2.833 -19.775 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.617 0.423 -20.942 1.00 0.00 H new ATOM 0 HG22 THR A 107 -0.745 0.664 -19.822 1.00 0.00 H new ATOM 0 HG23 THR A 107 -0.482 1.806 -21.161 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.866 1.748 -16.958 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.963 1.055 -16.296 1.00 0.00 C ATOM 1482 C LEU A 108 -2.101 1.408 -14.824 1.00 0.00 C ATOM 1483 O LEU A 108 -3.131 1.145 -14.221 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.916 -0.496 -16.520 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.631 -1.286 -16.129 1.00 0.00 C ATOM 1486 CD1 LEU A 108 0.549 -0.950 -17.028 1.00 0.00 C ATOM 1487 CD2 LEU A 108 -0.272 -1.097 -14.666 1.00 0.00 C ATOM 0 H LEU A 108 0.045 1.666 -16.506 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.867 1.423 -16.781 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.749 -0.932 -15.968 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.104 -0.680 -17.578 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.863 -2.340 -16.279 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.420 -1.526 -16.715 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.302 -1.198 -18.060 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.772 0.114 -16.953 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.630 -1.665 -14.436 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.095 -0.040 -14.468 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.092 -1.451 -14.041 1.00 0.00 H new ATOM 1499 N GLY A 109 -1.085 2.014 -14.254 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.141 2.338 -12.847 1.00 0.00 C ATOM 1501 C GLY A 109 -2.208 3.369 -12.519 1.00 0.00 C ATOM 1502 O GLY A 109 -3.270 3.028 -12.003 1.00 0.00 O ATOM 0 H GLY A 109 -0.226 2.288 -14.731 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.334 1.429 -12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.169 2.714 -12.527 1.00 0.00 H new ATOM 1506 N SER A 110 -1.937 4.622 -12.835 1.00 0.00 N ATOM 1507 CA SER A 110 -2.863 5.708 -12.534 1.00 0.00 C ATOM 1508 C SER A 110 -4.138 5.604 -13.366 1.00 0.00 C ATOM 1509 O SER A 110 -5.150 6.219 -13.046 1.00 0.00 O ATOM 1510 CB SER A 110 -2.187 7.052 -12.788 1.00 0.00 C ATOM 1511 OG SER A 110 -0.950 7.130 -12.111 1.00 0.00 O ATOM 0 H SER A 110 -1.080 4.918 -13.302 1.00 0.00 H new ATOM 0 HA SER A 110 -3.141 5.630 -11.483 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.030 7.188 -13.858 1.00 0.00 H new ATOM 0 HB3 SER A 110 -2.839 7.860 -12.456 1.00 0.00 H new ATOM 0 HG SER A 110 -0.534 7.999 -12.289 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.083 4.819 -14.423 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.213 4.672 -15.323 1.00 0.00 C ATOM 1519 C ARG A 111 -6.183 3.587 -14.862 1.00 0.00 C ATOM 1520 O ARG A 111 -7.389 3.798 -14.842 1.00 0.00 O ATOM 1521 CB ARG A 111 -4.719 4.405 -16.734 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.030 5.614 -17.355 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.319 5.258 -18.640 1.00 0.00 C ATOM 1524 NE ARG A 111 -4.204 4.600 -19.595 1.00 0.00 N ATOM 1525 CZ ARG A 111 -3.882 4.315 -20.857 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -2.705 4.691 -21.352 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -4.742 3.659 -21.623 1.00 0.00 N ATOM 0 H ARG A 111 -3.264 4.269 -14.682 1.00 0.00 H new ATOM 0 HA ARG A 111 -5.771 5.608 -15.314 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.025 3.565 -16.719 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.562 4.111 -17.360 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.768 6.391 -17.552 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -3.313 6.027 -16.646 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -2.910 6.163 -19.090 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.476 4.604 -18.418 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.136 4.339 -19.274 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -2.044 5.200 -20.765 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -2.464 4.470 -22.318 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -5.646 3.374 -21.246 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -4.500 3.439 -22.589 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.661 2.431 -14.490 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.511 1.341 -14.034 1.00 0.00 C ATOM 1543 C VAL A 112 -6.847 1.500 -12.553 1.00 0.00 C ATOM 1544 O VAL A 112 -8.017 1.493 -12.169 1.00 0.00 O ATOM 1545 CB VAL A 112 -5.861 -0.040 -14.290 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.739 -1.164 -13.754 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.603 -0.227 -15.780 1.00 0.00 C ATOM 0 H VAL A 112 -4.663 2.222 -14.494 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.434 1.387 -14.612 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.909 -0.077 -13.760 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -6.259 -2.124 -13.947 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -6.878 -1.037 -12.680 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.709 -1.137 -14.251 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -5.145 -1.202 -15.951 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.547 -0.169 -16.323 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.932 0.556 -16.134 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.816 1.670 -11.733 1.00 0.00 N ATOM 1558 CA LEU A 113 -5.996 1.837 -10.289 1.00 0.00 C ATOM 1559 C LEU A 113 -6.688 3.164 -9.996 1.00 0.00 C ATOM 1560 O LEU A 113 -7.455 3.280 -9.042 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.640 1.774 -9.550 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.942 0.397 -9.476 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -3.549 -0.109 -10.857 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -2.716 0.473 -8.578 1.00 0.00 C ATOM 0 H LEU A 113 -4.844 1.696 -12.041 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.620 1.020 -9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.958 2.473 -10.034 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.793 2.131 -8.532 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.654 -0.311 -9.052 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.061 -1.079 -10.764 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -4.441 -0.209 -11.475 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.863 0.599 -11.322 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -2.235 -0.504 -8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.016 1.205 -8.980 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.018 0.773 -7.574 1.00 0.00 H new ATOM 1576 N SER A 114 -6.388 4.158 -10.831 1.00 0.00 N ATOM 1577 CA SER A 114 -6.981 5.493 -10.752 1.00 0.00 C ATOM 1578 C SER A 114 -7.022 6.062 -9.330 1.00 0.00 C ATOM 1579 O SER A 114 -6.005 6.533 -8.816 1.00 0.00 O ATOM 1580 CB SER A 114 -8.376 5.504 -11.379 1.00 0.00 C ATOM 1581 OG SER A 114 -8.312 5.273 -12.775 1.00 0.00 O ATOM 0 H SER A 114 -5.717 4.057 -11.592 1.00 0.00 H new ATOM 0 HA SER A 114 -6.325 6.150 -11.323 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.995 4.739 -10.909 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.856 6.464 -11.188 1.00 0.00 H new ATOM 0 HG SER A 114 -7.804 4.453 -12.948 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.196 5.963 -8.690 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.440 6.537 -7.368 1.00 0.00 C ATOM 1589 C ALA A 115 -7.409 6.091 -6.347 1.00 0.00 C ATOM 1590 O ALA A 115 -7.027 6.859 -5.465 1.00 0.00 O ATOM 1591 CB ALA A 115 -9.840 6.179 -6.893 1.00 0.00 C ATOM 0 H ALA A 115 -9.004 5.479 -9.081 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.353 7.619 -7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.011 6.611 -5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.574 6.574 -7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.939 5.095 -6.836 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.953 4.857 -6.469 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.984 4.335 -5.536 1.00 0.00 C ATOM 1599 C LEU A 116 -4.649 5.063 -5.665 1.00 0.00 C ATOM 1600 O LEU A 116 -4.126 5.585 -4.682 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.793 2.828 -5.724 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.826 2.161 -4.742 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -5.295 2.358 -3.308 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.684 0.684 -5.054 1.00 0.00 C ATOM 0 H LEU A 116 -7.238 4.206 -7.201 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.370 4.506 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.765 2.342 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.436 2.648 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.850 2.633 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.594 1.876 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.344 3.424 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.283 1.915 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.993 0.227 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.657 0.200 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.299 0.561 -6.066 1.00 0.00 H new ATOM 1616 N LEU A 117 -4.115 5.134 -6.878 1.00 0.00 N ATOM 1617 CA LEU A 117 -2.822 5.770 -7.078 1.00 0.00 C ATOM 1618 C LEU A 117 -2.890 7.272 -6.943 1.00 0.00 C ATOM 1619 O LEU A 117 -1.905 7.896 -6.587 1.00 0.00 O ATOM 1620 CB LEU A 117 -2.172 5.375 -8.402 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.651 3.939 -8.480 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -0.677 3.790 -9.632 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.992 3.517 -7.170 1.00 0.00 C ATOM 0 H LEU A 117 -4.549 4.765 -7.724 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.186 5.395 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -2.898 5.523 -9.201 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.342 6.055 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.504 3.283 -8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.316 2.762 -9.673 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.180 4.036 -10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 117 0.166 4.465 -9.485 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.632 2.492 -7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.153 4.179 -6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.719 3.578 -6.361 1.00 0.00 H new ATOM 1635 N ASN A 118 -4.049 7.856 -7.207 1.00 0.00 N ATOM 1636 CA ASN A 118 -4.200 9.304 -7.063 1.00 0.00 C ATOM 1637 C ASN A 118 -3.868 9.718 -5.639 1.00 0.00 C ATOM 1638 O ASN A 118 -3.266 10.770 -5.403 1.00 0.00 O ATOM 1639 CB ASN A 118 -5.617 9.765 -7.438 1.00 0.00 C ATOM 1640 CG ASN A 118 -5.961 9.541 -8.907 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -4.960 9.565 -9.772 1.00 0.00 O flip ATOM 1642 ND2 ASN A 118 -7.126 9.338 -9.256 1.00 0.00 N flip ATOM 0 H ASN A 118 -4.887 7.364 -7.517 1.00 0.00 H new ATOM 0 HA ASN A 118 -3.506 9.787 -7.751 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -6.339 9.233 -6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -5.719 10.825 -7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.872 9.327 -8.561 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -7.344 9.181 -10.240 1.00 0.00 H new ATOM 1649 N GLY A 119 -4.250 8.873 -4.693 1.00 0.00 N ATOM 1650 CA GLY A 119 -3.934 9.121 -3.313 1.00 0.00 C ATOM 1651 C GLY A 119 -2.569 8.569 -2.943 1.00 0.00 C ATOM 1652 O GLY A 119 -1.784 9.235 -2.272 1.00 0.00 O ATOM 0 H GLY A 119 -4.776 8.016 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -3.957 10.194 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -4.695 8.667 -2.678 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.276 7.355 -3.407 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.010 6.680 -3.098 1.00 0.00 C ATOM 1658 C VAL A 120 0.211 7.459 -3.604 1.00 0.00 C ATOM 1659 O VAL A 120 1.212 7.573 -2.890 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.975 5.237 -3.666 1.00 0.00 C ATOM 1661 CG1 VAL A 120 0.439 4.678 -3.656 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -1.904 4.331 -2.870 1.00 0.00 C ATOM 0 H VAL A 120 -2.902 6.813 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.957 6.635 -2.010 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.318 5.275 -4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.433 3.665 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.084 5.309 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.815 4.659 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.868 3.322 -3.281 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.586 4.310 -1.828 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.924 4.712 -2.931 1.00 0.00 H new ATOM 1672 N SER A 121 0.126 7.999 -4.817 1.00 0.00 N ATOM 1673 CA SER A 121 1.237 8.742 -5.399 1.00 0.00 C ATOM 1674 C SER A 121 1.622 9.934 -4.529 1.00 0.00 C ATOM 1675 O SER A 121 2.785 10.326 -4.472 1.00 0.00 O ATOM 1676 CB SER A 121 0.893 9.199 -6.815 1.00 0.00 C ATOM 1677 OG SER A 121 0.767 8.087 -7.687 1.00 0.00 O ATOM 0 H SER A 121 -0.699 7.936 -5.414 1.00 0.00 H new ATOM 0 HA SER A 121 2.097 8.074 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.039 9.765 -6.803 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.669 9.870 -7.184 1.00 0.00 H new ATOM 0 HG SER A 121 -0.126 7.696 -7.591 1.00 0.00 H new ATOM 1683 N SER A 122 0.640 10.506 -3.866 1.00 0.00 N ATOM 1684 CA SER A 122 0.867 11.613 -2.976 1.00 0.00 C ATOM 1685 C SER A 122 1.270 11.105 -1.586 1.00 0.00 C ATOM 1686 O SER A 122 2.161 11.658 -0.940 1.00 0.00 O ATOM 1687 CB SER A 122 -0.401 12.468 -2.887 1.00 0.00 C ATOM 1688 OG SER A 122 -0.173 13.680 -2.189 1.00 0.00 O ATOM 0 H SER A 122 -0.335 10.214 -3.932 1.00 0.00 H new ATOM 0 HA SER A 122 1.681 12.224 -3.365 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.761 12.690 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.186 11.902 -2.385 1.00 0.00 H new ATOM 0 HG SER A 122 -1.004 14.199 -2.154 1.00 0.00 H new ATOM 1694 N ALA A 123 0.620 10.033 -1.153 1.00 0.00 N ATOM 1695 CA ALA A 123 0.827 9.480 0.175 1.00 0.00 C ATOM 1696 C ALA A 123 2.099 8.623 0.281 1.00 0.00 C ATOM 1697 O ALA A 123 3.136 9.097 0.731 1.00 0.00 O ATOM 1698 CB ALA A 123 -0.399 8.675 0.601 1.00 0.00 C ATOM 0 H ALA A 123 -0.064 9.524 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 123 0.968 10.322 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.236 8.264 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.274 9.325 0.615 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.563 7.861 -0.105 1.00 0.00 H new ATOM 1704 N ALA A 124 2.011 7.370 -0.147 1.00 0.00 N ATOM 1705 CA ALA A 124 3.118 6.421 0.001 1.00 0.00 C ATOM 1706 C ALA A 124 4.293 6.769 -0.884 1.00 0.00 C ATOM 1707 O ALA A 124 5.434 6.751 -0.440 1.00 0.00 O ATOM 1708 CB ALA A 124 2.643 5.004 -0.283 1.00 0.00 C ATOM 0 H ALA A 124 1.184 6.982 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 124 3.461 6.485 1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.477 4.311 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.852 4.738 0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.260 4.946 -1.302 1.00 0.00 H new ATOM 1714 N GLN A 125 4.008 7.094 -2.119 1.00 0.00 N ATOM 1715 CA GLN A 125 5.043 7.405 -3.081 1.00 0.00 C ATOM 1716 C GLN A 125 5.709 8.740 -2.762 1.00 0.00 C ATOM 1717 O GLN A 125 6.923 8.898 -2.909 1.00 0.00 O ATOM 1718 CB GLN A 125 4.441 7.453 -4.478 1.00 0.00 C ATOM 1719 CG GLN A 125 5.456 7.657 -5.584 1.00 0.00 C ATOM 1720 CD GLN A 125 4.810 7.848 -6.938 1.00 0.00 C ATOM 1721 OE1 GLN A 125 3.725 7.325 -7.209 1.00 0.00 O ATOM 1722 NE2 GLN A 125 5.469 8.597 -7.794 1.00 0.00 N ATOM 0 H GLN A 125 3.059 7.151 -2.488 1.00 0.00 H new ATOM 0 HA GLN A 125 5.803 6.625 -3.031 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.902 6.524 -4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.709 8.259 -4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 125 6.070 8.527 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 125 6.124 6.797 -5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 125 6.363 9.010 -7.528 1.00 0.00 H new ATOM 0 HE22 GLN A 125 5.086 8.765 -8.724 1.00 0.00 H new ATOM 1731 N GLY A 126 4.910 9.690 -2.317 1.00 0.00 N ATOM 1732 CA GLY A 126 5.413 11.018 -2.063 1.00 0.00 C ATOM 1733 C GLY A 126 6.021 11.207 -0.684 1.00 0.00 C ATOM 1734 O GLY A 126 7.054 11.857 -0.549 1.00 0.00 O ATOM 0 H GLY A 126 3.916 9.565 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 126 6.166 11.258 -2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.599 11.732 -2.188 1.00 0.00 H new ATOM 1738 N LEU A 127 5.399 10.645 0.339 1.00 0.00 N ATOM 1739 CA LEU A 127 5.857 10.878 1.706 1.00 0.00 C ATOM 1740 C LEU A 127 6.388 9.616 2.380 1.00 0.00 C ATOM 1741 O LEU A 127 7.174 9.702 3.324 1.00 0.00 O ATOM 1742 CB LEU A 127 4.722 11.472 2.544 1.00 0.00 C ATOM 1743 CG LEU A 127 4.105 12.770 2.009 1.00 0.00 C ATOM 1744 CD1 LEU A 127 2.951 13.216 2.890 1.00 0.00 C ATOM 1745 CD2 LEU A 127 5.156 13.868 1.915 1.00 0.00 C ATOM 0 H LEU A 127 4.587 10.033 0.256 1.00 0.00 H new ATOM 0 HA LEU A 127 6.688 11.581 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 127 3.932 10.726 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.098 11.658 3.550 1.00 0.00 H new ATOM 0 HG LEU A 127 3.721 12.576 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.526 14.139 2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 127 2.185 12.441 2.906 1.00 0.00 H new ATOM 0 HD13 LEU A 127 3.313 13.389 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 127 4.697 14.780 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.573 14.058 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 127 5.952 13.553 1.240 1.00 0.00 H new ATOM 1757 N GLY A 128 5.979 8.458 1.903 1.00 0.00 N ATOM 1758 CA GLY A 128 6.383 7.223 2.548 1.00 0.00 C ATOM 1759 C GLY A 128 5.575 6.993 3.807 1.00 0.00 C ATOM 1760 O GLY A 128 5.903 7.519 4.876 1.00 0.00 O ATOM 0 H GLY A 128 5.378 8.345 1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 128 6.246 6.386 1.863 1.00 0.00 H new ATOM 0 HA3 GLY A 128 7.444 7.264 2.793 1.00 0.00 H new ATOM 1764 N ILE A 129 4.514 6.220 3.683 1.00 0.00 N ATOM 1765 CA ILE A 129 3.594 6.003 4.789 1.00 0.00 C ATOM 1766 C ILE A 129 4.133 5.032 5.826 1.00 0.00 C ATOM 1767 O ILE A 129 4.633 3.957 5.496 1.00 0.00 O ATOM 1768 CB ILE A 129 2.212 5.515 4.295 1.00 0.00 C ATOM 1769 CG1 ILE A 129 1.636 6.498 3.280 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.252 5.335 5.460 1.00 0.00 C ATOM 1771 CD1 ILE A 129 1.784 7.949 3.691 1.00 0.00 C ATOM 0 H ILE A 129 4.265 5.729 2.825 1.00 0.00 H new ATOM 0 HA ILE A 129 3.481 6.975 5.268 1.00 0.00 H new ATOM 0 HB ILE A 129 2.345 4.547 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 129 2.131 6.348 2.320 1.00 0.00 H new ATOM 0 HG13 ILE A 129 0.579 6.277 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.287 4.991 5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.656 4.598 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 129 1.123 6.287 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 129 1.353 8.591 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 129 1.265 8.114 4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 129 2.841 8.187 3.811 1.00 0.00 H new ATOM 1783 N ASN A 130 4.014 5.429 7.080 1.00 0.00 N ATOM 1784 CA ASN A 130 4.427 4.611 8.202 1.00 0.00 C ATOM 1785 C ASN A 130 3.222 4.243 9.038 1.00 0.00 C ATOM 1786 O ASN A 130 2.398 5.099 9.361 1.00 0.00 O ATOM 1787 CB ASN A 130 5.441 5.362 9.069 1.00 0.00 C ATOM 1788 CG ASN A 130 5.851 4.586 10.318 1.00 0.00 C ATOM 1789 OD1 ASN A 130 6.724 3.721 10.270 1.00 0.00 O ATOM 1790 ND2 ASN A 130 5.241 4.908 11.443 1.00 0.00 N ATOM 0 H ASN A 130 3.626 6.333 7.348 1.00 0.00 H new ATOM 0 HA ASN A 130 4.895 3.705 7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 130 6.329 5.578 8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 130 5.016 6.320 9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 130 5.489 4.434 12.311 1.00 0.00 H new ATOM 0 HD22 ASN A 130 4.521 5.631 11.444 1.00 0.00 H new ATOM 1797 N VAL A 131 3.106 2.977 9.370 1.00 0.00 N ATOM 1798 CA VAL A 131 2.020 2.517 10.192 1.00 0.00 C ATOM 1799 C VAL A 131 2.474 2.368 11.636 1.00 0.00 C ATOM 1800 O VAL A 131 3.396 1.606 11.940 1.00 0.00 O ATOM 1801 CB VAL A 131 1.458 1.176 9.704 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.196 0.814 10.460 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.202 1.203 8.213 1.00 0.00 C ATOM 0 H VAL A 131 3.757 2.247 9.079 1.00 0.00 H new ATOM 0 HA VAL A 131 1.231 3.266 10.124 1.00 0.00 H new ATOM 0 HB VAL A 131 2.206 0.408 9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.184 -0.141 10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.419 0.735 11.524 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.556 1.587 10.304 1.00 0.00 H new ATOM 0 HG21 VAL A 131 0.804 0.239 7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.482 1.988 7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.136 1.401 7.687 1.00 0.00 H new ATOM 1813 N ASP A 132 1.820 3.085 12.509 1.00 0.00 N ATOM 1814 CA ASP A 132 2.132 3.068 13.937 1.00 0.00 C ATOM 1815 C ASP A 132 1.148 2.168 14.660 1.00 0.00 C ATOM 1816 O ASP A 132 0.769 2.425 15.798 1.00 0.00 O ATOM 1817 CB ASP A 132 2.047 4.479 14.532 1.00 0.00 C ATOM 1818 CG ASP A 132 2.982 5.492 13.876 1.00 0.00 C ATOM 1819 OD1 ASP A 132 2.622 6.049 12.809 1.00 0.00 O ATOM 1820 OD2 ASP A 132 4.072 5.751 14.428 1.00 0.00 O ATOM 0 H ASP A 132 1.049 3.705 12.262 1.00 0.00 H new ATOM 0 HA ASP A 132 3.148 2.693 14.061 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.021 4.837 14.443 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.275 4.427 15.597 1.00 0.00 H new ATOM 1825 N SER A 133 0.759 1.096 14.001 1.00 0.00 N ATOM 1826 CA SER A 133 -0.232 0.171 14.529 1.00 0.00 C ATOM 1827 C SER A 133 0.310 -0.643 15.701 1.00 0.00 C ATOM 1828 O SER A 133 -0.430 -1.376 16.357 1.00 0.00 O ATOM 1829 CB SER A 133 -0.676 -0.773 13.422 1.00 0.00 C ATOM 1830 OG SER A 133 0.443 -1.470 12.877 1.00 0.00 O ATOM 0 H SER A 133 1.120 0.838 13.082 1.00 0.00 H new ATOM 0 HA SER A 133 -1.075 0.758 14.895 1.00 0.00 H new ATOM 0 HB2 SER A 133 -1.400 -1.487 13.814 1.00 0.00 H new ATOM 0 HB3 SER A 133 -1.178 -0.209 12.636 1.00 0.00 H new ATOM 0 HG SER A 133 0.418 -2.406 13.167 1.00 0.00 H new ATOM 1836 N GLY A 134 1.598 -0.526 15.956 1.00 0.00 N ATOM 1837 CA GLY A 134 2.198 -1.303 17.005 1.00 0.00 C ATOM 1838 C GLY A 134 2.788 -2.578 16.468 1.00 0.00 C ATOM 1839 O GLY A 134 3.649 -3.189 17.091 1.00 0.00 O ATOM 0 H GLY A 134 2.236 0.092 15.455 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.976 -0.718 17.495 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.449 -1.536 17.762 1.00 0.00 H new ATOM 1843 N SER A 135 2.332 -2.967 15.297 1.00 0.00 N ATOM 1844 CA SER A 135 2.766 -4.210 14.683 1.00 0.00 C ATOM 1845 C SER A 135 3.726 -3.978 13.517 1.00 0.00 C ATOM 1846 O SER A 135 4.768 -4.623 13.422 1.00 0.00 O ATOM 1847 CB SER A 135 1.548 -5.012 14.224 1.00 0.00 C ATOM 1848 OG SER A 135 0.603 -4.177 13.553 1.00 0.00 O ATOM 0 H SER A 135 1.656 -2.439 14.745 1.00 0.00 H new ATOM 0 HA SER A 135 3.315 -4.777 15.435 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.867 -5.813 13.557 1.00 0.00 H new ATOM 0 HB3 SER A 135 1.074 -5.483 15.085 1.00 0.00 H new ATOM 0 HG SER A 135 -0.165 -4.715 13.269 1.00 0.00 H new ATOM 1854 N VAL A 136 3.372 -3.055 12.638 1.00 0.00 N ATOM 1855 CA VAL A 136 4.173 -2.770 11.462 1.00 0.00 C ATOM 1856 C VAL A 136 5.524 -2.166 11.837 1.00 0.00 C ATOM 1857 O VAL A 136 6.573 -2.762 11.591 1.00 0.00 O ATOM 1858 CB VAL A 136 3.429 -1.805 10.506 1.00 0.00 C ATOM 1859 CG1 VAL A 136 4.249 -1.549 9.250 1.00 0.00 C ATOM 1860 CG2 VAL A 136 2.066 -2.367 10.143 1.00 0.00 C ATOM 0 H VAL A 136 2.529 -2.487 12.719 1.00 0.00 H new ATOM 0 HA VAL A 136 4.343 -3.720 10.955 1.00 0.00 H new ATOM 0 HB VAL A 136 3.289 -0.855 11.021 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.706 -0.869 8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 136 5.205 -1.103 9.524 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.424 -2.492 8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.555 -1.677 9.471 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.190 -3.331 9.649 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.473 -2.497 11.048 1.00 0.00 H new ATOM 1870 N GLN A 137 5.474 -1.000 12.460 1.00 0.00 N ATOM 1871 CA GLN A 137 6.665 -0.233 12.807 1.00 0.00 C ATOM 1872 C GLN A 137 7.656 -1.019 13.663 1.00 0.00 C ATOM 1873 O GLN A 137 8.868 -0.915 13.466 1.00 0.00 O ATOM 1874 CB GLN A 137 6.260 1.033 13.525 1.00 0.00 C ATOM 1875 CG GLN A 137 7.386 2.026 13.708 1.00 0.00 C ATOM 1876 CD GLN A 137 6.918 3.307 14.356 1.00 0.00 C ATOM 1877 OE1 GLN A 137 5.660 3.638 14.155 1.00 0.00 O flip ATOM 1878 NE2 GLN A 137 7.679 3.983 15.038 1.00 0.00 N flip ATOM 0 H GLN A 137 4.601 -0.554 12.742 1.00 0.00 H new ATOM 0 HA GLN A 137 7.175 0.004 11.873 1.00 0.00 H new ATOM 0 HB2 GLN A 137 5.454 1.512 12.968 1.00 0.00 H new ATOM 0 HB3 GLN A 137 5.859 0.770 14.504 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.169 1.577 14.319 1.00 0.00 H new ATOM 0 HG3 GLN A 137 7.830 2.252 12.738 1.00 0.00 H new ATOM 0 HE21 GLN A 137 8.647 3.688 15.167 1.00 0.00 H new ATOM 0 HE22 GLN A 137 7.345 4.841 15.477 1.00 0.00 H new ATOM 1887 N SER A 138 7.146 -1.802 14.596 1.00 0.00 N ATOM 1888 CA SER A 138 7.998 -2.549 15.502 1.00 0.00 C ATOM 1889 C SER A 138 8.876 -3.560 14.763 1.00 0.00 C ATOM 1890 O SER A 138 10.054 -3.714 15.085 1.00 0.00 O ATOM 1891 CB SER A 138 7.160 -3.233 16.578 1.00 0.00 C ATOM 1892 OG SER A 138 6.010 -3.848 16.018 1.00 0.00 O ATOM 0 H SER A 138 6.146 -1.937 14.746 1.00 0.00 H new ATOM 0 HA SER A 138 8.670 -1.839 15.983 1.00 0.00 H new ATOM 0 HB2 SER A 138 7.763 -3.982 17.091 1.00 0.00 H new ATOM 0 HB3 SER A 138 6.856 -2.501 17.326 1.00 0.00 H new ATOM 0 HG SER A 138 5.207 -3.369 16.312 1.00 0.00 H new ATOM 1898 N ASP A 139 8.320 -4.230 13.767 1.00 0.00 N ATOM 1899 CA ASP A 139 9.092 -5.218 13.026 1.00 0.00 C ATOM 1900 C ASP A 139 9.907 -4.581 11.910 1.00 0.00 C ATOM 1901 O ASP A 139 11.099 -4.857 11.774 1.00 0.00 O ATOM 1902 CB ASP A 139 8.201 -6.317 12.453 1.00 0.00 C ATOM 1903 CG ASP A 139 9.017 -7.422 11.801 1.00 0.00 C ATOM 1904 OD1 ASP A 139 9.330 -7.312 10.598 1.00 0.00 O ATOM 1905 OD2 ASP A 139 9.366 -8.399 12.495 1.00 0.00 O ATOM 0 H ASP A 139 7.356 -4.113 13.456 1.00 0.00 H new ATOM 0 HA ASP A 139 9.781 -5.667 13.741 1.00 0.00 H new ATOM 0 HB2 ASP A 139 7.587 -6.739 13.249 1.00 0.00 H new ATOM 0 HB3 ASP A 139 7.520 -5.887 11.719 1.00 0.00 H new ATOM 1910 N ILE A 140 9.274 -3.708 11.121 1.00 0.00 N ATOM 1911 CA ILE A 140 9.945 -3.100 9.968 1.00 0.00 C ATOM 1912 C ILE A 140 11.218 -2.354 10.360 1.00 0.00 C ATOM 1913 O ILE A 140 12.203 -2.414 9.643 1.00 0.00 O ATOM 1914 CB ILE A 140 9.026 -2.152 9.155 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.566 -0.970 10.010 1.00 0.00 C ATOM 1916 CG2 ILE A 140 7.833 -2.918 8.595 1.00 0.00 C ATOM 1917 CD1 ILE A 140 7.841 0.108 9.233 1.00 0.00 C ATOM 0 H ILE A 140 8.308 -3.409 11.257 1.00 0.00 H new ATOM 0 HA ILE A 140 10.211 -3.943 9.330 1.00 0.00 H new ATOM 0 HB ILE A 140 9.600 -1.753 8.318 1.00 0.00 H new ATOM 0 HG12 ILE A 140 7.910 -1.339 10.798 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.435 -0.529 10.499 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.198 -2.238 8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 140 8.187 -3.715 7.941 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.260 -3.349 9.416 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.548 0.910 9.910 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.500 0.507 8.462 1.00 0.00 H new ATOM 0 HD13 ILE A 140 6.952 -0.316 8.766 1.00 0.00 H new ATOM 1929 N SER A 141 11.199 -1.668 11.500 1.00 0.00 N ATOM 1930 CA SER A 141 12.369 -0.914 11.950 1.00 0.00 C ATOM 1931 C SER A 141 13.613 -1.813 12.069 1.00 0.00 C ATOM 1932 O SER A 141 14.711 -1.432 11.656 1.00 0.00 O ATOM 1933 CB SER A 141 12.073 -0.213 13.280 1.00 0.00 C ATOM 1934 OG SER A 141 11.440 -1.100 14.193 1.00 0.00 O ATOM 0 H SER A 141 10.395 -1.618 12.125 1.00 0.00 H new ATOM 0 HA SER A 141 12.587 -0.156 11.197 1.00 0.00 H new ATOM 0 HB2 SER A 141 13.001 0.159 13.713 1.00 0.00 H new ATOM 0 HB3 SER A 141 11.433 0.652 13.105 1.00 0.00 H new ATOM 0 HG SER A 141 10.472 -1.090 14.041 1.00 0.00 H new ATOM 1940 N SER A 142 13.428 -3.007 12.606 1.00 0.00 N ATOM 1941 CA SER A 142 14.529 -3.935 12.777 1.00 0.00 C ATOM 1942 C SER A 142 14.775 -4.742 11.493 1.00 0.00 C ATOM 1943 O SER A 142 15.919 -4.981 11.103 1.00 0.00 O ATOM 1944 CB SER A 142 14.250 -4.874 13.960 1.00 0.00 C ATOM 1945 OG SER A 142 15.377 -5.687 14.255 1.00 0.00 O ATOM 0 H SER A 142 12.526 -3.355 12.930 1.00 0.00 H new ATOM 0 HA SER A 142 15.431 -3.361 12.989 1.00 0.00 H new ATOM 0 HB2 SER A 142 13.984 -4.286 14.838 1.00 0.00 H new ATOM 0 HB3 SER A 142 13.393 -5.507 13.729 1.00 0.00 H new ATOM 0 HG SER A 142 15.169 -6.272 15.013 1.00 0.00 H new ATOM 1951 N SER A 143 13.701 -5.141 10.834 1.00 0.00 N ATOM 1952 CA SER A 143 13.801 -5.946 9.628 1.00 0.00 C ATOM 1953 C SER A 143 14.373 -5.156 8.441 1.00 0.00 C ATOM 1954 O SER A 143 15.178 -5.680 7.678 1.00 0.00 O ATOM 1955 CB SER A 143 12.440 -6.541 9.275 1.00 0.00 C ATOM 1956 OG SER A 143 11.971 -7.387 10.317 1.00 0.00 O ATOM 0 H SER A 143 12.746 -4.920 11.115 1.00 0.00 H new ATOM 0 HA SER A 143 14.502 -6.755 9.836 1.00 0.00 H new ATOM 0 HB2 SER A 143 11.722 -5.739 9.101 1.00 0.00 H new ATOM 0 HB3 SER A 143 12.516 -7.108 8.347 1.00 0.00 H new ATOM 0 HG SER A 143 11.006 -7.261 10.432 1.00 0.00 H new ATOM 1962 N SER A 144 13.976 -3.898 8.302 1.00 0.00 N ATOM 1963 CA SER A 144 14.432 -3.083 7.183 1.00 0.00 C ATOM 1964 C SER A 144 15.898 -2.709 7.329 1.00 0.00 C ATOM 1965 O SER A 144 16.560 -2.395 6.345 1.00 0.00 O ATOM 1966 CB SER A 144 13.578 -1.815 7.037 1.00 0.00 C ATOM 1967 OG SER A 144 13.941 -1.087 5.873 1.00 0.00 O ATOM 0 H SER A 144 13.343 -3.422 8.945 1.00 0.00 H new ATOM 0 HA SER A 144 14.320 -3.684 6.281 1.00 0.00 H new ATOM 0 HB2 SER A 144 12.524 -2.087 6.986 1.00 0.00 H new ATOM 0 HB3 SER A 144 13.703 -1.185 7.918 1.00 0.00 H new ATOM 0 HG SER A 144 13.382 -0.285 5.801 1.00 0.00 H new