USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 888 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 133 SER OG : rot -26:sc= 0.204 USER MOD Set 1.2: A 137 GLN :FLIP amide:sc= 0.179 F(o=-1.5!,f=0.38) USER MOD Set 2.1: A 101 ASN : amide:sc= -0.588 K(o=-0.5,f=-2.6) USER MOD Set 2.2: A 103 SER OG : rot 92:sc= 0.0853 USER MOD Set 3.1: A 23 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.1!) USER MOD Set 3.2: A 30 THR OG1 : rot 122:sc= 0.0321 USER MOD Set 3.3: A 91 SER OG : rot -150:sc= 0 USER MOD Set 4.1: A 64 ASN : amide:sc= -1.1! C(o=-3.6!,f=-15!) USER MOD Set 4.2: A 65 ASN : amide:sc= -2.48! C(o=-3.6!,f=-10!) USER MOD Set 5.1: A 41 GLN : amide:sc= 1.03 K(o=-0.8,f=-5.8) USER MOD Set 5.2: A 49 GLN : amide:sc= -1.83! C(o=-0.8!,f=-4.6!) USER MOD Set 6.1: A 29 SER OG : rot 97:sc= 0.719 USER MOD Set 6.2: A 143 SER OG : rot 93:sc= 1.61 USER MOD Set 7.1: A 14 SER OG : rot -80:sc= -0.88 USER MOD Set 7.2: A 104 ASN : amide:sc= 1.28 K(o=0.4,f=-2.2) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 27 ASN : amide:sc= -0.371 X(o=-0.37,f=-0.0011) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -21:sc= 0.122 USER MOD Single : A 37 THR OG1 : rot 129:sc= 0.302 USER MOD Single : A 40 SER OG : rot -130:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0652 K(o=-0.065,f=-0.7) USER MOD Single : A 45 SER OG : rot -4:sc= 1.11 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -3.79! C(o=-3.8!,f=-4.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.286 K(o=-0.29,f=-1.1) USER MOD Single : A 75 SER OG : rot -86:sc= 0.0436 USER MOD Single : A 86 TYR OH : rot -165:sc= -1.59! USER MOD Single : A 88 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.3) USER MOD Single : A 92 SER OG : rot -130:sc= -0.15 USER MOD Single : A 96 ASN : amide:sc= -0.0347 K(o=-0.035,f=-0.82) USER MOD Single : A 107 THR OG1 : rot 64:sc= 1.16 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= 0.89 K(o=0.89,f=-0.0011) USER MOD Single : A 121 SER OG : rot -84:sc= 0.753 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 SER OG : rot -5:sc= 0.652 USER MOD Single : A 138 SER OG : rot 122:sc= 0.0737 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 144 SER OG : rot -82:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 123 N GLY A 12 -2.737 -6.455 -13.067 1.00 0.00 N ATOM 124 CA GLY A 12 -2.199 -7.750 -13.423 1.00 0.00 C ATOM 125 C GLY A 12 -0.772 -7.683 -13.917 1.00 0.00 C ATOM 126 O GLY A 12 0.046 -8.537 -13.571 1.00 0.00 O ATOM 0 HA2 GLY A 12 -2.246 -8.408 -12.555 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.824 -8.197 -14.196 1.00 0.00 H new ATOM 130 N ALA A 13 -0.465 -6.674 -14.722 1.00 0.00 N ATOM 131 CA ALA A 13 0.880 -6.518 -15.269 1.00 0.00 C ATOM 132 C ALA A 13 1.880 -6.183 -14.171 1.00 0.00 C ATOM 133 O ALA A 13 2.964 -6.767 -14.101 1.00 0.00 O ATOM 134 CB ALA A 13 0.898 -5.450 -16.356 1.00 0.00 C ATOM 0 H ALA A 13 -1.126 -5.953 -15.011 1.00 0.00 H new ATOM 0 HA ALA A 13 1.174 -7.468 -15.715 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.909 -5.349 -16.750 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.222 -5.738 -17.161 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.576 -4.497 -15.935 1.00 0.00 H new ATOM 140 N SER A 14 1.506 -5.255 -13.306 1.00 0.00 N ATOM 141 CA SER A 14 2.356 -4.856 -12.205 1.00 0.00 C ATOM 142 C SER A 14 2.499 -5.986 -11.184 1.00 0.00 C ATOM 143 O SER A 14 3.477 -6.038 -10.447 1.00 0.00 O ATOM 144 CB SER A 14 1.790 -3.607 -11.531 1.00 0.00 C ATOM 145 OG SER A 14 1.550 -2.584 -12.480 1.00 0.00 O ATOM 0 H SER A 14 0.613 -4.763 -13.349 1.00 0.00 H new ATOM 0 HA SER A 14 3.345 -4.630 -12.603 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.862 -3.856 -11.016 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.488 -3.250 -10.774 1.00 0.00 H new ATOM 0 HG SER A 14 2.393 -2.133 -12.695 1.00 0.00 H new ATOM 151 N ALA A 15 1.531 -6.910 -11.175 1.00 0.00 N ATOM 152 CA ALA A 15 1.522 -8.027 -10.222 1.00 0.00 C ATOM 153 C ALA A 15 2.752 -8.922 -10.371 1.00 0.00 C ATOM 154 O ALA A 15 3.083 -9.691 -9.469 1.00 0.00 O ATOM 155 CB ALA A 15 0.254 -8.847 -10.374 1.00 0.00 C ATOM 0 H ALA A 15 0.741 -6.906 -11.820 1.00 0.00 H new ATOM 0 HA ALA A 15 1.551 -7.596 -9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.265 -9.670 -9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.613 -8.214 -10.185 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.198 -9.246 -11.387 1.00 0.00 H new ATOM 161 N GLY A 16 3.415 -8.830 -11.504 1.00 0.00 N ATOM 162 CA GLY A 16 4.610 -9.606 -11.705 1.00 0.00 C ATOM 163 C GLY A 16 5.850 -8.885 -11.208 1.00 0.00 C ATOM 164 O GLY A 16 6.743 -9.497 -10.626 1.00 0.00 O ATOM 0 H GLY A 16 3.148 -8.233 -12.287 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.514 -10.560 -11.186 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.722 -9.830 -12.766 1.00 0.00 H new ATOM 168 N LEU A 17 5.892 -7.582 -11.426 1.00 0.00 N ATOM 169 CA LEU A 17 7.050 -6.774 -11.065 1.00 0.00 C ATOM 170 C LEU A 17 7.035 -6.311 -9.602 1.00 0.00 C ATOM 171 O LEU A 17 8.078 -6.002 -9.050 1.00 0.00 O ATOM 172 CB LEU A 17 7.184 -5.575 -12.023 1.00 0.00 C ATOM 173 CG LEU A 17 5.961 -4.639 -12.129 1.00 0.00 C ATOM 174 CD1 LEU A 17 5.920 -3.630 -10.984 1.00 0.00 C ATOM 175 CD2 LEU A 17 5.945 -3.925 -13.469 1.00 0.00 C ATOM 0 H LEU A 17 5.131 -7.055 -11.855 1.00 0.00 H new ATOM 0 HA LEU A 17 7.925 -7.415 -11.167 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.042 -4.981 -11.708 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.409 -5.957 -13.019 1.00 0.00 H new ATOM 0 HG LEU A 17 5.068 -5.260 -12.054 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.045 -2.990 -11.094 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.864 -4.160 -10.033 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.822 -3.018 -11.005 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.075 -3.271 -13.522 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.853 -3.331 -13.576 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.896 -4.660 -14.272 1.00 0.00 H new ATOM 187 N ILE A 18 5.852 -6.273 -8.985 1.00 0.00 N ATOM 188 CA ILE A 18 5.692 -5.779 -7.599 1.00 0.00 C ATOM 189 C ILE A 18 6.758 -6.312 -6.631 1.00 0.00 C ATOM 190 O ILE A 18 7.371 -5.546 -5.894 1.00 0.00 O ATOM 191 CB ILE A 18 4.291 -6.095 -7.032 1.00 0.00 C ATOM 192 CG1 ILE A 18 3.900 -7.549 -7.337 1.00 0.00 C ATOM 193 CG2 ILE A 18 3.259 -5.117 -7.575 1.00 0.00 C ATOM 194 CD1 ILE A 18 2.564 -7.965 -6.762 1.00 0.00 C ATOM 0 H ILE A 18 4.981 -6.578 -9.419 1.00 0.00 H new ATOM 0 HA ILE A 18 5.820 -4.699 -7.674 1.00 0.00 H new ATOM 0 HB ILE A 18 4.321 -5.978 -5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.877 -7.688 -8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.673 -8.211 -6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.279 -5.357 -7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.534 -4.102 -7.289 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.224 -5.191 -8.662 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.363 -9.004 -7.023 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.586 -7.861 -5.677 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.778 -7.330 -7.171 1.00 0.00 H new ATOM 206 N SER A 19 6.980 -7.606 -6.645 1.00 0.00 N ATOM 207 CA SER A 19 7.945 -8.213 -5.756 1.00 0.00 C ATOM 208 C SER A 19 9.355 -8.144 -6.335 1.00 0.00 C ATOM 209 O SER A 19 10.333 -8.257 -5.607 1.00 0.00 O ATOM 210 CB SER A 19 7.560 -9.671 -5.478 1.00 0.00 C ATOM 211 OG SER A 19 8.452 -10.274 -4.557 1.00 0.00 O ATOM 0 H SER A 19 6.504 -8.261 -7.265 1.00 0.00 H new ATOM 0 HA SER A 19 7.939 -7.654 -4.820 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.545 -9.712 -5.084 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.563 -10.234 -6.411 1.00 0.00 H new ATOM 0 HG SER A 19 8.180 -11.202 -4.398 1.00 0.00 H new ATOM 217 N ARG A 20 9.447 -7.956 -7.642 1.00 0.00 N ATOM 218 CA ARG A 20 10.723 -7.975 -8.337 1.00 0.00 C ATOM 219 C ARG A 20 11.436 -6.623 -8.361 1.00 0.00 C ATOM 220 O ARG A 20 12.648 -6.581 -8.467 1.00 0.00 O ATOM 221 CB ARG A 20 10.540 -8.504 -9.760 1.00 0.00 C ATOM 222 CG ARG A 20 10.094 -9.951 -9.801 1.00 0.00 C ATOM 223 CD ARG A 20 10.009 -10.484 -11.215 1.00 0.00 C ATOM 224 NE ARG A 20 9.797 -11.932 -11.216 1.00 0.00 N ATOM 225 CZ ARG A 20 10.329 -12.778 -12.097 1.00 0.00 C ATOM 226 NH1 ARG A 20 11.040 -12.320 -13.123 1.00 0.00 N ATOM 227 NH2 ARG A 20 10.136 -14.084 -11.962 1.00 0.00 N ATOM 0 H ARG A 20 8.644 -7.787 -8.247 1.00 0.00 H new ATOM 0 HA ARG A 20 11.368 -8.645 -7.769 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.805 -7.888 -10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.480 -8.404 -10.303 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.791 -10.561 -9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.120 -10.043 -9.321 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.193 -9.993 -11.745 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.927 -10.247 -11.753 1.00 0.00 H new ATOM 0 HE ARG A 20 9.198 -12.322 -10.489 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.180 -11.316 -13.239 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.445 -12.972 -13.794 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.581 -14.440 -11.184 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.543 -14.732 -12.636 1.00 0.00 H new ATOM 241 N VAL A 21 10.698 -5.525 -8.266 1.00 0.00 N ATOM 242 CA VAL A 21 11.323 -4.203 -8.383 1.00 0.00 C ATOM 243 C VAL A 21 12.138 -3.796 -7.126 1.00 0.00 C ATOM 244 O VAL A 21 13.215 -4.332 -6.874 1.00 0.00 O ATOM 245 CB VAL A 21 10.304 -3.082 -8.753 1.00 0.00 C ATOM 246 CG1 VAL A 21 11.025 -1.776 -9.045 1.00 0.00 C ATOM 247 CG2 VAL A 21 9.470 -3.481 -9.956 1.00 0.00 C ATOM 0 H VAL A 21 9.690 -5.515 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 21 12.026 -4.304 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 21 9.643 -2.942 -7.898 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.296 -1.007 -9.301 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.586 -1.465 -8.164 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.711 -1.918 -9.880 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.768 -2.682 -10.193 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.124 -3.655 -10.811 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.918 -4.394 -9.730 1.00 0.00 H new ATOM 257 N ALA A 22 11.613 -2.859 -6.344 1.00 0.00 N ATOM 258 CA ALA A 22 12.340 -2.326 -5.203 1.00 0.00 C ATOM 259 C ALA A 22 12.284 -3.252 -4.009 1.00 0.00 C ATOM 260 O ALA A 22 13.251 -3.374 -3.263 1.00 0.00 O ATOM 261 CB ALA A 22 11.813 -0.948 -4.838 1.00 0.00 C ATOM 0 H ALA A 22 10.687 -2.454 -6.481 1.00 0.00 H new ATOM 0 HA ALA A 22 13.387 -2.240 -5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.367 -0.562 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.938 -0.274 -5.686 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.755 -1.018 -4.584 1.00 0.00 H new ATOM 267 N ASN A 23 11.157 -3.911 -3.833 1.00 0.00 N ATOM 268 CA ASN A 23 10.964 -4.791 -2.688 1.00 0.00 C ATOM 269 C ASN A 23 11.869 -6.017 -2.737 1.00 0.00 C ATOM 270 O ASN A 23 12.176 -6.604 -1.698 1.00 0.00 O ATOM 271 CB ASN A 23 9.497 -5.184 -2.525 1.00 0.00 C ATOM 272 CG ASN A 23 8.706 -4.164 -1.708 1.00 0.00 C ATOM 273 OD1 ASN A 23 7.764 -4.514 -1.000 1.00 0.00 O ATOM 274 ND2 ASN A 23 9.089 -2.895 -1.800 1.00 0.00 N ATOM 0 H ASN A 23 10.358 -3.857 -4.465 1.00 0.00 H new ATOM 0 HA ASN A 23 11.255 -4.223 -1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.041 -5.289 -3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.437 -6.158 -2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.596 -2.174 -1.273 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.876 -2.642 -2.398 1.00 0.00 H new ATOM 281 N ALA A 24 12.302 -6.396 -3.934 1.00 0.00 N ATOM 282 CA ALA A 24 13.207 -7.528 -4.092 1.00 0.00 C ATOM 283 C ALA A 24 14.539 -7.236 -3.422 1.00 0.00 C ATOM 284 O ALA A 24 15.080 -8.069 -2.692 1.00 0.00 O ATOM 285 CB ALA A 24 13.421 -7.833 -5.561 1.00 0.00 C ATOM 0 H ALA A 24 12.042 -5.937 -4.807 1.00 0.00 H new ATOM 0 HA ALA A 24 12.756 -8.399 -3.616 1.00 0.00 H new ATOM 0 HB1 ALA A 24 14.099 -8.681 -5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.465 -8.076 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 24 13.853 -6.962 -6.054 1.00 0.00 H new ATOM 291 N LEU A 25 15.050 -6.038 -3.660 1.00 0.00 N ATOM 292 CA LEU A 25 16.314 -5.613 -3.082 1.00 0.00 C ATOM 293 C LEU A 25 16.120 -5.136 -1.653 1.00 0.00 C ATOM 294 O LEU A 25 17.075 -5.050 -0.882 1.00 0.00 O ATOM 295 CB LEU A 25 16.948 -4.513 -3.930 1.00 0.00 C ATOM 296 CG LEU A 25 17.369 -4.928 -5.339 1.00 0.00 C ATOM 297 CD1 LEU A 25 17.961 -3.745 -6.090 1.00 0.00 C ATOM 298 CD2 LEU A 25 18.367 -6.077 -5.278 1.00 0.00 C ATOM 0 H LEU A 25 14.604 -5.339 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 25 16.987 -6.471 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.241 -3.687 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 25 17.824 -4.133 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 25 16.484 -5.267 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.255 -4.060 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.217 -2.951 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.835 -3.375 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.657 -6.361 -6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.250 -5.763 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.909 -6.931 -4.779 1.00 0.00 H new ATOM 310 N ALA A 26 14.880 -4.812 -1.312 1.00 0.00 N ATOM 311 CA ALA A 26 14.552 -4.394 0.036 1.00 0.00 C ATOM 312 C ALA A 26 14.624 -5.581 0.977 1.00 0.00 C ATOM 313 O ALA A 26 15.052 -5.453 2.124 1.00 0.00 O ATOM 314 CB ALA A 26 13.169 -3.760 0.081 1.00 0.00 C ATOM 0 H ALA A 26 14.087 -4.832 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 26 15.277 -3.646 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 26 12.942 -3.453 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 26 13.147 -2.888 -0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.426 -4.484 -0.254 1.00 0.00 H new ATOM 320 N ASN A 27 14.170 -6.744 0.475 1.00 0.00 N ATOM 321 CA ASN A 27 14.214 -8.013 1.199 1.00 0.00 C ATOM 322 C ASN A 27 13.464 -7.928 2.545 1.00 0.00 C ATOM 323 O ASN A 27 13.612 -8.786 3.413 1.00 0.00 O ATOM 324 CB ASN A 27 15.675 -8.432 1.404 1.00 0.00 C ATOM 325 CG ASN A 27 15.883 -9.938 1.395 1.00 0.00 C ATOM 326 OD1 ASN A 27 16.950 -10.428 1.019 1.00 0.00 O ATOM 327 ND2 ASN A 27 14.886 -10.676 1.809 1.00 0.00 N ATOM 0 H ASN A 27 13.759 -6.822 -0.455 1.00 0.00 H new ATOM 0 HA ASN A 27 13.705 -8.771 0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 27 16.286 -7.985 0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.030 -8.030 2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.977 -11.692 1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 27 14.017 -10.236 2.113 1.00 0.00 H new ATOM 334 N THR A 28 12.633 -6.910 2.683 1.00 0.00 N ATOM 335 CA THR A 28 11.880 -6.686 3.897 1.00 0.00 C ATOM 336 C THR A 28 10.691 -7.680 3.996 1.00 0.00 C ATOM 337 O THR A 28 10.367 -8.373 3.032 1.00 0.00 O ATOM 338 CB THR A 28 11.386 -5.217 3.940 1.00 0.00 C ATOM 339 OG1 THR A 28 12.454 -4.359 3.519 1.00 0.00 O ATOM 340 CG2 THR A 28 10.958 -4.808 5.344 1.00 0.00 C ATOM 0 H THR A 28 12.464 -6.217 1.954 1.00 0.00 H new ATOM 0 HA THR A 28 12.527 -6.861 4.756 1.00 0.00 H new ATOM 0 HB THR A 28 10.524 -5.128 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.153 -3.427 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.618 -3.772 5.334 1.00 0.00 H new ATOM 0 HG22 THR A 28 10.146 -5.453 5.679 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.803 -4.906 6.025 1.00 0.00 H new ATOM 348 N SER A 29 10.076 -7.753 5.165 1.00 0.00 N ATOM 349 CA SER A 29 8.969 -8.670 5.417 1.00 0.00 C ATOM 350 C SER A 29 7.667 -8.253 4.717 1.00 0.00 C ATOM 351 O SER A 29 6.731 -9.048 4.640 1.00 0.00 O ATOM 352 CB SER A 29 8.742 -8.811 6.912 1.00 0.00 C ATOM 353 OG SER A 29 9.904 -9.305 7.547 1.00 0.00 O ATOM 0 H SER A 29 10.328 -7.179 5.969 1.00 0.00 H new ATOM 0 HA SER A 29 9.254 -9.633 4.992 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.472 -7.844 7.337 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.906 -9.485 7.096 1.00 0.00 H new ATOM 0 HG SER A 29 10.415 -8.557 7.921 1.00 0.00 H new ATOM 359 N THR A 30 7.611 -7.012 4.236 1.00 0.00 N ATOM 360 CA THR A 30 6.415 -6.471 3.569 1.00 0.00 C ATOM 361 C THR A 30 5.887 -7.405 2.468 1.00 0.00 C ATOM 362 O THR A 30 4.726 -7.776 2.462 1.00 0.00 O ATOM 363 CB THR A 30 6.717 -5.090 2.955 1.00 0.00 C ATOM 364 OG1 THR A 30 7.948 -5.151 2.207 1.00 0.00 O ATOM 365 CG2 THR A 30 6.837 -4.033 4.042 1.00 0.00 C ATOM 0 H THR A 30 8.386 -6.352 4.294 1.00 0.00 H new ATOM 0 HA THR A 30 5.645 -6.380 4.335 1.00 0.00 H new ATOM 0 HB THR A 30 5.895 -4.819 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.778 -4.899 1.275 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.050 -3.066 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.901 -3.974 4.597 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.646 -4.300 4.722 1.00 0.00 H new ATOM 373 N LEU A 31 6.756 -7.778 1.557 1.00 0.00 N ATOM 374 CA LEU A 31 6.387 -8.658 0.457 1.00 0.00 C ATOM 375 C LEU A 31 6.324 -10.110 0.917 1.00 0.00 C ATOM 376 O LEU A 31 5.707 -10.959 0.268 1.00 0.00 O ATOM 377 CB LEU A 31 7.372 -8.515 -0.724 1.00 0.00 C ATOM 378 CG LEU A 31 8.856 -8.825 -0.435 1.00 0.00 C ATOM 379 CD1 LEU A 31 9.573 -9.223 -1.711 1.00 0.00 C ATOM 380 CD2 LEU A 31 9.558 -7.624 0.193 1.00 0.00 C ATOM 0 H LEU A 31 7.733 -7.486 1.551 1.00 0.00 H new ATOM 0 HA LEU A 31 5.396 -8.360 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.038 -9.173 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.305 -7.494 -1.100 1.00 0.00 H new ATOM 0 HG LEU A 31 8.889 -9.655 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.618 -9.438 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.101 -10.111 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.516 -8.406 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.602 -7.872 0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.507 -6.775 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.068 -7.366 1.132 1.00 0.00 H new ATOM 392 N ARG A 32 6.975 -10.388 2.034 1.00 0.00 N ATOM 393 CA ARG A 32 7.069 -11.740 2.553 1.00 0.00 C ATOM 394 C ARG A 32 5.776 -12.201 3.236 1.00 0.00 C ATOM 395 O ARG A 32 5.237 -13.252 2.891 1.00 0.00 O ATOM 396 CB ARG A 32 8.247 -11.854 3.520 1.00 0.00 C ATOM 397 CG ARG A 32 8.452 -13.249 4.085 1.00 0.00 C ATOM 398 CD ARG A 32 9.687 -13.315 4.967 1.00 0.00 C ATOM 399 NE ARG A 32 10.907 -12.986 4.228 1.00 0.00 N ATOM 400 CZ ARG A 32 12.126 -13.421 4.551 1.00 0.00 C ATOM 401 NH1 ARG A 32 12.303 -14.190 5.622 1.00 0.00 N ATOM 402 NH2 ARG A 32 13.167 -13.081 3.805 1.00 0.00 N ATOM 0 H ARG A 32 7.450 -9.687 2.603 1.00 0.00 H new ATOM 0 HA ARG A 32 7.232 -12.399 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.157 -11.545 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.095 -11.158 4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.575 -13.542 4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.548 -13.964 3.268 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.573 -12.625 5.803 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.778 -14.316 5.389 1.00 0.00 H new ATOM 0 HE ARG A 32 10.819 -12.383 3.410 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.504 -14.450 6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.237 -14.520 5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.035 -12.488 2.986 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.100 -13.412 4.050 1.00 0.00 H new ATOM 416 N THR A 33 5.275 -11.419 4.187 1.00 0.00 N ATOM 417 CA THR A 33 4.093 -11.843 4.950 1.00 0.00 C ATOM 418 C THR A 33 3.492 -10.726 5.811 1.00 0.00 C ATOM 419 O THR A 33 2.343 -10.823 6.248 1.00 0.00 O ATOM 420 CB THR A 33 4.433 -13.042 5.859 1.00 0.00 C ATOM 421 OG1 THR A 33 3.246 -13.544 6.490 1.00 0.00 O ATOM 422 CG2 THR A 33 5.451 -12.651 6.927 1.00 0.00 C ATOM 0 H THR A 33 5.654 -10.509 4.448 1.00 0.00 H new ATOM 0 HA THR A 33 3.348 -12.125 4.206 1.00 0.00 H new ATOM 0 HB THR A 33 4.867 -13.821 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.555 -12.849 6.486 1.00 0.00 H new ATOM 0 HG21 THR A 33 5.672 -13.516 7.553 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.367 -12.307 6.448 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.042 -11.851 7.544 1.00 0.00 H new ATOM 430 N VAL A 34 4.265 -9.705 6.086 1.00 0.00 N ATOM 431 CA VAL A 34 3.783 -8.592 6.887 1.00 0.00 C ATOM 432 C VAL A 34 3.113 -7.555 6.000 1.00 0.00 C ATOM 433 O VAL A 34 3.617 -7.237 4.933 1.00 0.00 O ATOM 434 CB VAL A 34 4.933 -7.935 7.688 1.00 0.00 C ATOM 435 CG1 VAL A 34 4.418 -6.780 8.541 1.00 0.00 C ATOM 436 CG2 VAL A 34 5.626 -8.971 8.558 1.00 0.00 C ATOM 0 H VAL A 34 5.231 -9.615 5.770 1.00 0.00 H new ATOM 0 HA VAL A 34 3.054 -8.984 7.596 1.00 0.00 H new ATOM 0 HB VAL A 34 5.655 -7.532 6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.247 -6.337 9.093 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.966 -6.025 7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.672 -7.151 9.244 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.433 -8.496 9.116 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.907 -9.401 9.255 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.036 -9.760 7.928 1.00 0.00 H new ATOM 446 N LEU A 35 1.968 -7.050 6.443 1.00 0.00 N ATOM 447 CA LEU A 35 1.221 -6.049 5.689 1.00 0.00 C ATOM 448 C LEU A 35 2.086 -4.827 5.383 1.00 0.00 C ATOM 449 O LEU A 35 2.983 -4.473 6.154 1.00 0.00 O ATOM 450 CB LEU A 35 -0.071 -5.627 6.425 1.00 0.00 C ATOM 451 CG LEU A 35 0.101 -4.850 7.750 1.00 0.00 C ATOM 452 CD1 LEU A 35 -1.212 -4.211 8.162 1.00 0.00 C ATOM 453 CD2 LEU A 35 0.606 -5.760 8.866 1.00 0.00 C ATOM 0 H LEU A 35 1.534 -7.319 7.326 1.00 0.00 H new ATOM 0 HA LEU A 35 0.932 -6.510 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.663 -5.013 5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.653 -6.525 6.632 1.00 0.00 H new ATOM 0 HG LEU A 35 0.844 -4.070 7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.075 -3.668 9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.540 -3.520 7.385 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.966 -4.986 8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.716 -5.183 9.784 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.108 -6.567 9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.571 -6.181 8.584 1.00 0.00 H new ATOM 465 N ARG A 36 1.801 -4.186 4.265 1.00 0.00 N ATOM 466 CA ARG A 36 2.588 -3.052 3.815 1.00 0.00 C ATOM 467 C ARG A 36 2.265 -1.802 4.613 1.00 0.00 C ATOM 468 O ARG A 36 1.233 -1.728 5.296 1.00 0.00 O ATOM 469 CB ARG A 36 2.333 -2.780 2.335 1.00 0.00 C ATOM 470 CG ARG A 36 0.932 -2.262 2.041 1.00 0.00 C ATOM 471 CD ARG A 36 0.802 -1.796 0.602 1.00 0.00 C ATOM 472 NE ARG A 36 1.818 -0.808 0.263 1.00 0.00 N ATOM 473 CZ ARG A 36 1.697 0.497 0.479 1.00 0.00 C ATOM 474 NH1 ARG A 36 0.558 0.995 0.945 1.00 0.00 N ATOM 475 NH2 ARG A 36 2.705 1.307 0.206 1.00 0.00 N ATOM 0 H ARG A 36 1.026 -4.433 3.649 1.00 0.00 H new ATOM 0 HA ARG A 36 3.638 -3.303 3.968 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.062 -2.053 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.497 -3.699 1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.203 -3.049 2.237 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.699 -1.437 2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.889 -2.652 -0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.188 -1.368 0.446 1.00 0.00 H new ATOM 0 HE ARG A 36 2.680 -1.141 -0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.228 0.375 1.139 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.469 1.998 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.575 0.930 -0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.613 2.309 0.371 1.00 0.00 H new ATOM 489 N THR A 37 3.130 -0.818 4.507 1.00 0.00 N ATOM 490 CA THR A 37 2.924 0.434 5.162 1.00 0.00 C ATOM 491 C THR A 37 1.881 1.242 4.418 1.00 0.00 C ATOM 492 O THR A 37 2.120 1.731 3.311 1.00 0.00 O ATOM 493 CB THR A 37 4.236 1.227 5.239 1.00 0.00 C ATOM 494 OG1 THR A 37 5.098 0.839 4.154 1.00 0.00 O ATOM 495 CG2 THR A 37 4.936 0.983 6.564 1.00 0.00 C ATOM 0 H THR A 37 3.991 -0.873 3.963 1.00 0.00 H new ATOM 0 HA THR A 37 2.574 0.239 6.176 1.00 0.00 H new ATOM 0 HB THR A 37 4.006 2.290 5.162 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.414 1.639 3.685 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.863 1.555 6.596 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.287 1.297 7.382 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.161 -0.079 6.667 1.00 0.00 H new ATOM 503 N GLY A 38 0.728 1.376 5.021 1.00 0.00 N ATOM 504 CA GLY A 38 -0.325 2.113 4.402 1.00 0.00 C ATOM 505 C GLY A 38 -1.275 1.236 3.624 1.00 0.00 C ATOM 506 O GLY A 38 -1.714 1.613 2.529 1.00 0.00 O ATOM 0 H GLY A 38 0.502 0.984 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.882 2.654 5.167 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.104 2.859 3.733 1.00 0.00 H new ATOM 510 N VAL A 39 -1.553 0.042 4.158 1.00 0.00 N ATOM 511 CA VAL A 39 -2.542 -0.859 3.560 1.00 0.00 C ATOM 512 C VAL A 39 -3.837 -0.089 3.256 1.00 0.00 C ATOM 513 O VAL A 39 -4.413 0.561 4.128 1.00 0.00 O ATOM 514 CB VAL A 39 -2.822 -2.086 4.470 1.00 0.00 C ATOM 515 CG1 VAL A 39 -3.053 -1.665 5.907 1.00 0.00 C ATOM 516 CG2 VAL A 39 -3.996 -2.899 3.956 1.00 0.00 C ATOM 0 H VAL A 39 -1.108 -0.322 5.001 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.133 -1.242 2.625 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.935 -2.719 4.442 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.246 -2.547 6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.168 -1.150 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.911 -0.994 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.165 -3.750 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.889 -2.274 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.778 -3.257 2.950 1.00 0.00 H new ATOM 526 N SER A 40 -4.256 -0.156 2.013 1.00 0.00 N ATOM 527 CA SER A 40 -5.369 0.637 1.526 1.00 0.00 C ATOM 528 C SER A 40 -6.737 -0.012 1.771 1.00 0.00 C ATOM 529 O SER A 40 -6.835 -1.191 2.091 1.00 0.00 O ATOM 530 CB SER A 40 -5.162 0.909 0.048 1.00 0.00 C ATOM 531 OG SER A 40 -3.871 1.462 -0.167 1.00 0.00 O ATOM 0 H SER A 40 -3.836 -0.762 1.308 1.00 0.00 H new ATOM 0 HA SER A 40 -5.383 1.569 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.270 -0.016 -0.519 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.926 1.596 -0.314 1.00 0.00 H new ATOM 0 HG SER A 40 -3.948 2.269 -0.718 1.00 0.00 H new ATOM 537 N GLN A 41 -7.792 0.780 1.593 1.00 0.00 N ATOM 538 CA GLN A 41 -9.167 0.318 1.789 1.00 0.00 C ATOM 539 C GLN A 41 -9.596 -0.681 0.725 1.00 0.00 C ATOM 540 O GLN A 41 -10.627 -1.324 0.858 1.00 0.00 O ATOM 541 CB GLN A 41 -10.136 1.490 1.806 1.00 0.00 C ATOM 542 CG GLN A 41 -9.988 2.427 0.617 1.00 0.00 C ATOM 543 CD GLN A 41 -10.998 3.551 0.631 1.00 0.00 C ATOM 544 OE1 GLN A 41 -10.759 4.604 1.207 1.00 0.00 O ATOM 545 NE2 GLN A 41 -12.129 3.336 -0.005 1.00 0.00 N ATOM 0 H GLN A 41 -7.720 1.757 1.310 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.191 -0.187 2.755 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.156 1.106 1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.989 2.058 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.982 2.848 0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.098 1.857 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.289 2.444 -0.473 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.846 4.061 -0.030 1.00 0.00 H new ATOM 554 N GLN A 42 -8.823 -0.788 -0.337 1.00 0.00 N ATOM 555 CA GLN A 42 -9.137 -1.729 -1.399 1.00 0.00 C ATOM 556 C GLN A 42 -9.089 -3.158 -0.858 1.00 0.00 C ATOM 557 O GLN A 42 -10.055 -3.922 -0.974 1.00 0.00 O ATOM 558 CB GLN A 42 -8.157 -1.566 -2.566 1.00 0.00 C ATOM 559 CG GLN A 42 -8.020 -0.128 -3.064 1.00 0.00 C ATOM 560 CD GLN A 42 -9.352 0.496 -3.445 1.00 0.00 C ATOM 561 OE1 GLN A 42 -10.278 -0.188 -3.876 1.00 0.00 O ATOM 562 NE2 GLN A 42 -9.454 1.800 -3.286 1.00 0.00 N ATOM 0 H GLN A 42 -7.977 -0.239 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.143 -1.524 -1.766 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.176 -1.928 -2.257 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.484 -2.197 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.550 0.476 -2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.356 -0.110 -3.928 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.663 2.333 -2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.324 2.276 -3.523 1.00 0.00 H new ATOM 571 N ILE A 43 -7.959 -3.510 -0.267 1.00 0.00 N ATOM 572 CA ILE A 43 -7.787 -4.829 0.325 1.00 0.00 C ATOM 573 C ILE A 43 -8.324 -4.881 1.762 1.00 0.00 C ATOM 574 O ILE A 43 -8.819 -5.913 2.199 1.00 0.00 O ATOM 575 CB ILE A 43 -6.305 -5.340 0.286 1.00 0.00 C ATOM 576 CG1 ILE A 43 -5.377 -4.536 1.204 1.00 0.00 C ATOM 577 CG2 ILE A 43 -5.767 -5.326 -1.134 1.00 0.00 C ATOM 578 CD1 ILE A 43 -5.123 -3.124 0.760 1.00 0.00 C ATOM 0 H ILE A 43 -7.145 -2.901 -0.184 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.376 -5.503 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.322 -6.365 0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.808 -4.516 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.422 -5.056 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.738 -5.684 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.379 -5.975 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.798 -4.309 -1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.457 -2.634 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.660 -3.131 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.067 -2.581 0.714 1.00 0.00 H new ATOM 590 N ALA A 44 -8.235 -3.759 2.484 1.00 0.00 N ATOM 591 CA ALA A 44 -8.687 -3.715 3.874 1.00 0.00 C ATOM 592 C ALA A 44 -10.210 -3.595 3.965 1.00 0.00 C ATOM 593 O ALA A 44 -10.876 -4.448 4.544 1.00 0.00 O ATOM 594 CB ALA A 44 -8.008 -2.583 4.621 1.00 0.00 C ATOM 0 H ALA A 44 -7.858 -2.879 2.132 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.405 -4.656 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.358 -2.567 5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.928 -2.733 4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.249 -1.634 4.142 1.00 0.00 H new ATOM 600 N SER A 45 -10.725 -2.496 3.423 1.00 0.00 N ATOM 601 CA SER A 45 -12.177 -2.196 3.280 1.00 0.00 C ATOM 602 C SER A 45 -12.926 -1.927 4.598 1.00 0.00 C ATOM 603 O SER A 45 -13.879 -1.143 4.614 1.00 0.00 O ATOM 604 CB SER A 45 -12.915 -3.262 2.432 1.00 0.00 C ATOM 605 OG SER A 45 -12.976 -4.523 3.081 1.00 0.00 O ATOM 0 H SER A 45 -10.135 -1.751 3.052 1.00 0.00 H new ATOM 0 HA SER A 45 -12.193 -1.248 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.927 -2.917 2.220 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.409 -3.374 1.473 1.00 0.00 H new ATOM 0 HG SER A 45 -12.475 -4.482 3.922 1.00 0.00 H new ATOM 611 N SER A 46 -12.504 -2.549 5.686 1.00 0.00 N ATOM 612 CA SER A 46 -13.194 -2.394 6.954 1.00 0.00 C ATOM 613 C SER A 46 -13.089 -0.963 7.500 1.00 0.00 C ATOM 614 O SER A 46 -14.057 -0.206 7.455 1.00 0.00 O ATOM 615 CB SER A 46 -12.665 -3.405 7.962 1.00 0.00 C ATOM 616 OG SER A 46 -12.892 -4.730 7.510 1.00 0.00 O ATOM 0 H SER A 46 -11.690 -3.163 5.716 1.00 0.00 H new ATOM 0 HA SER A 46 -14.253 -2.586 6.782 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.598 -3.246 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.153 -3.255 8.925 1.00 0.00 H new ATOM 0 HG SER A 46 -12.544 -5.365 8.170 1.00 0.00 H new ATOM 622 N VAL A 47 -11.916 -0.596 8.004 1.00 0.00 N ATOM 623 CA VAL A 47 -11.717 0.747 8.571 1.00 0.00 C ATOM 624 C VAL A 47 -10.389 1.355 8.136 1.00 0.00 C ATOM 625 O VAL A 47 -10.248 2.573 8.063 1.00 0.00 O ATOM 626 CB VAL A 47 -11.779 0.738 10.125 1.00 0.00 C ATOM 627 CG1 VAL A 47 -13.196 0.483 10.608 1.00 0.00 C ATOM 628 CG2 VAL A 47 -10.824 -0.305 10.701 1.00 0.00 C ATOM 0 H VAL A 47 -11.092 -1.197 8.035 1.00 0.00 H new ATOM 0 HA VAL A 47 -12.534 1.357 8.186 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.468 1.721 10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.214 0.481 11.698 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -13.854 1.268 10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.538 -0.483 10.238 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.885 -0.293 11.789 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -11.100 -1.293 10.333 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.804 -0.075 10.392 1.00 0.00 H new ATOM 638 N VAL A 48 -9.422 0.510 7.850 1.00 0.00 N ATOM 639 CA VAL A 48 -8.109 0.973 7.467 1.00 0.00 C ATOM 640 C VAL A 48 -8.070 1.378 5.998 1.00 0.00 C ATOM 641 O VAL A 48 -8.020 0.527 5.114 1.00 0.00 O ATOM 642 CB VAL A 48 -7.038 -0.105 7.735 1.00 0.00 C ATOM 643 CG1 VAL A 48 -5.655 0.407 7.383 1.00 0.00 C ATOM 644 CG2 VAL A 48 -7.086 -0.551 9.184 1.00 0.00 C ATOM 0 H VAL A 48 -9.523 -0.505 7.876 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.889 1.849 8.077 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.254 -0.964 7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.918 -0.371 7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.624 0.676 6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.427 1.285 7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.324 -1.311 9.356 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.899 0.304 9.834 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.069 -0.966 9.405 1.00 0.00 H new ATOM 654 N GLN A 49 -8.139 2.675 5.737 1.00 0.00 N ATOM 655 CA GLN A 49 -8.031 3.165 4.370 1.00 0.00 C ATOM 656 C GLN A 49 -6.575 3.262 3.966 1.00 0.00 C ATOM 657 O GLN A 49 -6.226 3.062 2.807 1.00 0.00 O ATOM 658 CB GLN A 49 -8.691 4.526 4.201 1.00 0.00 C ATOM 659 CG GLN A 49 -10.151 4.588 4.614 1.00 0.00 C ATOM 660 CD GLN A 49 -10.719 5.988 4.480 1.00 0.00 C ATOM 661 OE1 GLN A 49 -10.689 6.776 5.423 1.00 0.00 O ATOM 662 NE2 GLN A 49 -11.212 6.314 3.304 1.00 0.00 N ATOM 0 H GLN A 49 -8.268 3.400 6.443 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.550 2.453 3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.133 5.258 4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.612 4.824 3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.732 3.901 3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.250 4.253 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.219 5.631 2.547 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.587 7.250 3.150 1.00 0.00 H new ATOM 671 N ARG A 50 -5.730 3.612 4.926 1.00 0.00 N ATOM 672 CA ARG A 50 -4.309 3.702 4.685 1.00 0.00 C ATOM 673 C ARG A 50 -3.504 3.584 5.985 1.00 0.00 C ATOM 674 O ARG A 50 -2.279 3.706 5.969 1.00 0.00 O ATOM 675 CB ARG A 50 -3.990 5.025 3.994 1.00 0.00 C ATOM 676 CG ARG A 50 -2.578 5.103 3.487 1.00 0.00 C ATOM 677 CD ARG A 50 -2.409 6.186 2.449 1.00 0.00 C ATOM 678 NE ARG A 50 -1.312 5.870 1.534 1.00 0.00 N ATOM 679 CZ ARG A 50 -1.455 5.132 0.413 1.00 0.00 C ATOM 680 NH1 ARG A 50 -2.657 4.666 0.061 1.00 0.00 N ATOM 681 NH2 ARG A 50 -0.399 4.862 -0.348 1.00 0.00 N ATOM 0 H ARG A 50 -6.012 3.838 5.880 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.023 2.870 4.042 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.677 5.166 3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.164 5.843 4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.903 5.292 4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.293 4.142 3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.335 6.302 1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.214 7.139 2.941 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.384 6.229 1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.472 4.868 0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.760 4.109 -0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.522 5.213 -0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.510 4.304 -1.195 1.00 0.00 H new ATOM 695 N ALA A 51 -4.196 3.331 7.105 1.00 0.00 N ATOM 696 CA ALA A 51 -3.572 3.286 8.448 1.00 0.00 C ATOM 697 C ALA A 51 -3.092 4.680 8.874 1.00 0.00 C ATOM 698 O ALA A 51 -3.444 5.165 9.944 1.00 0.00 O ATOM 699 CB ALA A 51 -2.433 2.267 8.507 1.00 0.00 C ATOM 0 H ALA A 51 -5.200 3.152 7.113 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.334 2.960 9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.000 2.263 9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.820 1.275 8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.666 2.536 7.781 1.00 0.00 H new ATOM 705 N ALA A 52 -2.303 5.315 8.017 1.00 0.00 N ATOM 706 CA ALA A 52 -1.818 6.657 8.250 1.00 0.00 C ATOM 707 C ALA A 52 -2.980 7.635 8.295 1.00 0.00 C ATOM 708 O ALA A 52 -3.877 7.588 7.449 1.00 0.00 O ATOM 709 CB ALA A 52 -0.838 7.049 7.176 1.00 0.00 C ATOM 0 H ALA A 52 -1.984 4.906 7.139 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.306 6.685 9.212 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.480 8.061 7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.005 6.359 7.183 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.329 7.011 6.204 1.00 0.00 H new ATOM 715 N GLN A 53 -2.915 8.540 9.246 1.00 0.00 N ATOM 716 CA GLN A 53 -4.000 9.476 9.563 1.00 0.00 C ATOM 717 C GLN A 53 -4.491 10.270 8.361 1.00 0.00 C ATOM 718 O GLN A 53 -5.641 10.686 8.330 1.00 0.00 O ATOM 719 CB GLN A 53 -3.574 10.445 10.678 1.00 0.00 C ATOM 720 CG GLN A 53 -3.018 9.761 11.917 1.00 0.00 C ATOM 721 CD GLN A 53 -1.605 9.249 11.713 1.00 0.00 C ATOM 722 OE1 GLN A 53 -0.810 9.850 10.994 1.00 0.00 O ATOM 723 NE2 GLN A 53 -1.302 8.119 12.298 1.00 0.00 N ATOM 0 H GLN A 53 -2.094 8.658 9.840 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.833 8.859 9.900 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.820 11.127 10.284 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.433 11.051 10.966 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.030 10.462 12.751 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.667 8.929 12.191 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.989 7.650 12.888 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.378 7.707 12.164 1.00 0.00 H new ATOM 732 N SER A 54 -3.635 10.476 7.378 1.00 0.00 N ATOM 733 CA SER A 54 -4.008 11.257 6.213 1.00 0.00 C ATOM 734 C SER A 54 -5.185 10.631 5.459 1.00 0.00 C ATOM 735 O SER A 54 -6.285 11.186 5.433 1.00 0.00 O ATOM 736 CB SER A 54 -2.805 11.448 5.286 1.00 0.00 C ATOM 737 OG SER A 54 -1.747 12.115 5.962 1.00 0.00 O ATOM 0 H SER A 54 -2.681 10.116 7.362 1.00 0.00 H new ATOM 0 HA SER A 54 -4.335 12.236 6.564 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.459 10.479 4.927 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.103 12.024 4.410 1.00 0.00 H new ATOM 0 HG SER A 54 -0.988 12.225 5.352 1.00 0.00 H new ATOM 743 N LEU A 55 -4.958 9.486 4.863 1.00 0.00 N ATOM 744 CA LEU A 55 -5.990 8.830 4.084 1.00 0.00 C ATOM 745 C LEU A 55 -6.875 7.915 4.949 1.00 0.00 C ATOM 746 O LEU A 55 -8.011 7.647 4.600 1.00 0.00 O ATOM 747 CB LEU A 55 -5.359 8.054 2.928 1.00 0.00 C ATOM 748 CG LEU A 55 -6.320 7.519 1.858 1.00 0.00 C ATOM 749 CD1 LEU A 55 -7.088 8.661 1.205 1.00 0.00 C ATOM 750 CD2 LEU A 55 -5.551 6.733 0.805 1.00 0.00 C ATOM 0 H LEU A 55 -4.070 8.986 4.900 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.643 9.602 3.676 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.631 8.701 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.808 7.211 3.344 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.036 6.854 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.764 8.260 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.665 9.192 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.386 9.350 0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.244 6.359 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.816 7.383 0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.041 5.893 1.278 1.00 0.00 H new ATOM 762 N ALA A 56 -6.345 7.452 6.082 1.00 0.00 N ATOM 763 CA ALA A 56 -7.072 6.513 6.945 1.00 0.00 C ATOM 764 C ALA A 56 -8.121 7.165 7.804 1.00 0.00 C ATOM 765 O ALA A 56 -8.987 6.476 8.331 1.00 0.00 O ATOM 766 CB ALA A 56 -6.137 5.722 7.815 1.00 0.00 C ATOM 0 H ALA A 56 -5.419 7.709 6.425 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.587 5.843 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.712 5.038 8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.452 5.152 7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.568 6.401 8.450 1.00 0.00 H new ATOM 772 N SER A 57 -8.025 8.470 7.995 1.00 0.00 N ATOM 773 CA SER A 57 -8.965 9.168 8.857 1.00 0.00 C ATOM 774 C SER A 57 -10.399 9.068 8.322 1.00 0.00 C ATOM 775 O SER A 57 -10.851 9.903 7.536 1.00 0.00 O ATOM 776 CB SER A 57 -8.560 10.627 9.056 1.00 0.00 C ATOM 777 OG SER A 57 -9.206 11.171 10.193 1.00 0.00 O ATOM 0 H SER A 57 -7.313 9.063 7.569 1.00 0.00 H new ATOM 0 HA SER A 57 -8.937 8.677 9.830 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.479 10.697 9.176 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.820 11.207 8.170 1.00 0.00 H new ATOM 0 HG SER A 57 -8.935 12.106 10.307 1.00 0.00 H new ATOM 783 N THR A 58 -11.080 8.015 8.730 1.00 0.00 N ATOM 784 CA THR A 58 -12.452 7.777 8.349 1.00 0.00 C ATOM 785 C THR A 58 -13.362 7.914 9.573 1.00 0.00 C ATOM 786 O THR A 58 -14.506 8.349 9.473 1.00 0.00 O ATOM 787 CB THR A 58 -12.605 6.363 7.709 1.00 0.00 C ATOM 788 OG1 THR A 58 -13.964 6.114 7.339 1.00 0.00 O ATOM 789 CG2 THR A 58 -12.126 5.271 8.657 1.00 0.00 C ATOM 0 H THR A 58 -10.690 7.297 9.340 1.00 0.00 H new ATOM 0 HA THR A 58 -12.745 8.519 7.606 1.00 0.00 H new ATOM 0 HB THR A 58 -11.983 6.345 6.814 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.036 5.222 6.939 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.246 4.298 8.181 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.074 5.431 8.895 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.714 5.301 9.574 1.00 0.00 H new ATOM 797 N LEU A 59 -12.825 7.549 10.731 1.00 0.00 N ATOM 798 CA LEU A 59 -13.549 7.638 11.990 1.00 0.00 C ATOM 799 C LEU A 59 -12.789 8.530 12.965 1.00 0.00 C ATOM 800 O LEU A 59 -13.024 8.491 14.178 1.00 0.00 O ATOM 801 CB LEU A 59 -13.724 6.239 12.595 1.00 0.00 C ATOM 802 CG LEU A 59 -14.550 5.247 11.773 1.00 0.00 C ATOM 803 CD1 LEU A 59 -14.513 3.868 12.411 1.00 0.00 C ATOM 804 CD2 LEU A 59 -15.985 5.733 11.634 1.00 0.00 C ATOM 0 H LEU A 59 -11.877 7.184 10.822 1.00 0.00 H new ATOM 0 HA LEU A 59 -14.532 8.070 11.802 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.735 5.810 12.758 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.191 6.345 13.574 1.00 0.00 H new ATOM 0 HG LEU A 59 -14.114 5.178 10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -15.105 3.175 11.814 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -13.482 3.517 12.459 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.925 3.922 13.419 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.557 5.015 11.047 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.433 5.832 12.623 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -15.994 6.701 11.133 1.00 0.00 H new ATOM 816 N GLY A 60 -11.888 9.344 12.427 1.00 0.00 N ATOM 817 CA GLY A 60 -11.049 10.172 13.267 1.00 0.00 C ATOM 818 C GLY A 60 -9.864 9.389 13.787 1.00 0.00 C ATOM 819 O GLY A 60 -9.771 9.109 14.982 1.00 0.00 O ATOM 0 H GLY A 60 -11.725 9.444 11.425 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.699 11.035 12.700 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.632 10.556 14.104 1.00 0.00 H new ATOM 823 N VAL A 61 -8.967 9.019 12.886 1.00 0.00 N ATOM 824 CA VAL A 61 -7.817 8.195 13.243 1.00 0.00 C ATOM 825 C VAL A 61 -6.635 9.052 13.649 1.00 0.00 C ATOM 826 O VAL A 61 -6.156 9.874 12.867 1.00 0.00 O ATOM 827 CB VAL A 61 -7.383 7.281 12.072 1.00 0.00 C ATOM 828 CG1 VAL A 61 -6.273 6.333 12.507 1.00 0.00 C ATOM 829 CG2 VAL A 61 -8.569 6.503 11.528 1.00 0.00 C ATOM 0 H VAL A 61 -9.011 9.276 11.900 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.129 7.576 14.084 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.996 7.915 11.275 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.985 5.701 11.667 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.410 6.911 12.839 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.628 5.708 13.326 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.241 5.867 10.706 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.992 5.884 12.319 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.327 7.199 11.168 1.00 0.00 H new ATOM 839 N ASP A 62 -6.173 8.851 14.872 1.00 0.00 N ATOM 840 CA ASP A 62 -5.026 9.567 15.405 1.00 0.00 C ATOM 841 C ASP A 62 -4.609 8.959 16.733 1.00 0.00 C ATOM 842 O ASP A 62 -5.045 9.396 17.800 1.00 0.00 O ATOM 843 CB ASP A 62 -5.336 11.058 15.570 1.00 0.00 C ATOM 844 CG ASP A 62 -4.182 11.836 16.164 1.00 0.00 C ATOM 845 OD1 ASP A 62 -3.072 11.799 15.586 1.00 0.00 O ATOM 846 OD2 ASP A 62 -4.383 12.498 17.205 1.00 0.00 O ATOM 0 H ASP A 62 -6.584 8.184 15.525 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.202 9.475 14.698 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.591 11.481 14.598 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.212 11.174 16.208 1.00 0.00 H new ATOM 851 N GLY A 63 -3.817 7.901 16.657 1.00 0.00 N ATOM 852 CA GLY A 63 -3.344 7.219 17.853 1.00 0.00 C ATOM 853 C GLY A 63 -4.374 6.258 18.420 1.00 0.00 C ATOM 854 O GLY A 63 -4.065 5.104 18.712 1.00 0.00 O ATOM 0 H GLY A 63 -3.488 7.496 15.781 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.431 6.671 17.618 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.086 7.959 18.611 1.00 0.00 H new ATOM 858 N ASN A 64 -5.605 6.740 18.536 1.00 0.00 N ATOM 859 CA ASN A 64 -6.722 5.983 19.097 1.00 0.00 C ATOM 860 C ASN A 64 -6.932 4.624 18.398 1.00 0.00 C ATOM 861 O ASN A 64 -6.464 3.591 18.889 1.00 0.00 O ATOM 862 CB ASN A 64 -8.016 6.841 19.089 1.00 0.00 C ATOM 863 CG ASN A 64 -8.399 7.378 17.715 1.00 0.00 C ATOM 864 OD1 ASN A 64 -7.551 7.579 16.851 1.00 0.00 O ATOM 865 ND2 ASN A 64 -9.672 7.620 17.516 1.00 0.00 N ATOM 0 H ASN A 64 -5.861 7.682 18.239 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.470 5.750 20.132 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.840 6.240 19.475 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.887 7.681 19.772 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.987 7.988 16.618 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.348 7.440 18.259 1.00 0.00 H new ATOM 872 N ASN A 65 -7.632 4.621 17.276 1.00 0.00 N ATOM 873 CA ASN A 65 -7.862 3.398 16.510 1.00 0.00 C ATOM 874 C ASN A 65 -6.726 3.172 15.522 1.00 0.00 C ATOM 875 O ASN A 65 -6.886 2.495 14.513 1.00 0.00 O ATOM 876 CB ASN A 65 -9.224 3.434 15.792 1.00 0.00 C ATOM 877 CG ASN A 65 -9.357 4.554 14.771 1.00 0.00 C ATOM 878 OD1 ASN A 65 -8.730 5.605 14.889 1.00 0.00 O ATOM 879 ND2 ASN A 65 -10.194 4.336 13.774 1.00 0.00 N ATOM 0 H ASN A 65 -8.055 5.455 16.870 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.885 2.560 17.206 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.384 2.479 15.291 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.013 3.540 16.537 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -10.340 5.054 13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.695 3.449 13.713 1.00 0.00 H new ATOM 886 N LEU A 66 -5.579 3.742 15.838 1.00 0.00 N ATOM 887 CA LEU A 66 -4.399 3.634 15.008 1.00 0.00 C ATOM 888 C LEU A 66 -3.600 2.377 15.350 1.00 0.00 C ATOM 889 O LEU A 66 -3.489 1.457 14.544 1.00 0.00 O ATOM 890 CB LEU A 66 -3.533 4.874 15.198 1.00 0.00 C ATOM 891 CG LEU A 66 -2.217 4.902 14.432 1.00 0.00 C ATOM 892 CD1 LEU A 66 -2.465 4.912 12.935 1.00 0.00 C ATOM 893 CD2 LEU A 66 -1.391 6.104 14.854 1.00 0.00 C ATOM 0 H LEU A 66 -5.441 4.296 16.683 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.710 3.560 13.966 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.117 5.747 14.907 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.313 4.978 16.260 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.657 3.998 14.670 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.511 4.932 12.408 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.017 4.016 12.652 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.045 5.795 12.668 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.453 6.113 14.300 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.946 7.018 14.644 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.181 6.044 15.922 1.00 0.00 H new ATOM 905 N ALA A 67 -3.043 2.349 16.557 1.00 0.00 N ATOM 906 CA ALA A 67 -2.250 1.211 17.009 1.00 0.00 C ATOM 907 C ALA A 67 -3.150 0.042 17.349 1.00 0.00 C ATOM 908 O ALA A 67 -2.777 -1.122 17.198 1.00 0.00 O ATOM 909 CB ALA A 67 -1.423 1.602 18.221 1.00 0.00 C ATOM 0 H ALA A 67 -3.126 3.102 17.240 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.580 0.911 16.204 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.834 0.746 18.551 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.755 2.422 17.957 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.085 1.919 19.026 1.00 0.00 H new ATOM 915 N ARG A 68 -4.336 0.367 17.804 1.00 0.00 N ATOM 916 CA ARG A 68 -5.318 -0.621 18.184 1.00 0.00 C ATOM 917 C ARG A 68 -6.447 -0.592 17.181 1.00 0.00 C ATOM 918 O ARG A 68 -6.549 0.351 16.412 1.00 0.00 O ATOM 919 CB ARG A 68 -5.849 -0.297 19.576 1.00 0.00 C ATOM 920 CG ARG A 68 -4.759 -0.157 20.626 1.00 0.00 C ATOM 921 CD ARG A 68 -5.254 0.615 21.832 1.00 0.00 C ATOM 922 NE ARG A 68 -5.709 1.958 21.461 1.00 0.00 N ATOM 923 CZ ARG A 68 -5.695 3.014 22.273 1.00 0.00 C ATOM 924 NH1 ARG A 68 -5.185 2.921 23.493 1.00 0.00 N ATOM 925 NH2 ARG A 68 -6.177 4.169 21.850 1.00 0.00 N ATOM 0 H ARG A 68 -4.649 1.330 17.922 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.868 -1.613 18.199 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.420 0.630 19.531 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.540 -1.082 19.884 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.422 -1.146 20.937 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.898 0.352 20.194 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.072 0.070 22.303 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.455 0.691 22.569 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.061 2.094 20.514 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.798 2.035 23.818 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.179 3.736 24.107 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.557 4.248 20.907 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.169 4.981 22.467 1.00 0.00 H new ATOM 939 N PHE A 69 -7.291 -1.619 17.196 1.00 0.00 N ATOM 940 CA PHE A 69 -8.446 -1.725 16.282 1.00 0.00 C ATOM 941 C PHE A 69 -8.023 -1.934 14.819 1.00 0.00 C ATOM 942 O PHE A 69 -8.338 -2.963 14.232 1.00 0.00 O ATOM 943 CB PHE A 69 -9.383 -0.507 16.417 1.00 0.00 C ATOM 944 CG PHE A 69 -9.975 -0.356 17.792 1.00 0.00 C ATOM 945 CD1 PHE A 69 -11.103 -1.072 18.156 1.00 0.00 C ATOM 946 CD2 PHE A 69 -9.399 0.494 18.723 1.00 0.00 C ATOM 947 CE1 PHE A 69 -11.645 -0.941 19.420 1.00 0.00 C ATOM 948 CE2 PHE A 69 -9.936 0.627 19.988 1.00 0.00 C ATOM 949 CZ PHE A 69 -11.060 -0.092 20.336 1.00 0.00 C ATOM 0 H PHE A 69 -7.202 -2.406 17.838 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.998 -2.615 16.583 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.829 0.398 16.167 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.190 -0.597 15.690 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.564 -1.740 17.444 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.519 1.060 18.455 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.526 -1.503 19.691 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.477 1.293 20.704 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.482 0.010 21.325 1.00 0.00 H new ATOM 959 N ALA A 70 -7.301 -0.967 14.253 1.00 0.00 N ATOM 960 CA ALA A 70 -6.844 -1.034 12.859 1.00 0.00 C ATOM 961 C ALA A 70 -6.046 -2.310 12.592 1.00 0.00 C ATOM 962 O ALA A 70 -6.431 -3.136 11.755 1.00 0.00 O ATOM 963 CB ALA A 70 -6.003 0.188 12.530 1.00 0.00 C ATOM 0 H ALA A 70 -7.016 -0.118 14.742 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.724 -1.051 12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.668 0.131 11.494 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.600 1.089 12.669 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.137 0.222 13.190 1.00 0.00 H new ATOM 969 N VAL A 71 -4.940 -2.466 13.310 1.00 0.00 N ATOM 970 CA VAL A 71 -4.091 -3.650 13.184 1.00 0.00 C ATOM 971 C VAL A 71 -4.870 -4.900 13.527 1.00 0.00 C ATOM 972 O VAL A 71 -4.750 -5.910 12.853 1.00 0.00 O ATOM 973 CB VAL A 71 -2.848 -3.551 14.105 1.00 0.00 C ATOM 974 CG1 VAL A 71 -1.934 -4.758 13.918 1.00 0.00 C ATOM 975 CG2 VAL A 71 -2.087 -2.255 13.838 1.00 0.00 C ATOM 0 H VAL A 71 -4.606 -1.784 13.991 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.755 -3.704 12.148 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.191 -3.544 15.140 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.069 -4.665 14.575 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.480 -5.669 14.163 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.599 -4.804 12.882 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.218 -2.202 14.493 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.760 -2.233 12.798 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.739 -1.404 14.031 1.00 0.00 H new ATOM 985 N GLN A 72 -5.701 -4.814 14.547 1.00 0.00 N ATOM 986 CA GLN A 72 -6.475 -5.960 14.993 1.00 0.00 C ATOM 987 C GLN A 72 -7.485 -6.407 13.932 1.00 0.00 C ATOM 988 O GLN A 72 -7.720 -7.592 13.764 1.00 0.00 O ATOM 989 CB GLN A 72 -7.182 -5.662 16.316 1.00 0.00 C ATOM 990 CG GLN A 72 -6.238 -5.252 17.442 1.00 0.00 C ATOM 991 CD GLN A 72 -5.101 -6.239 17.662 1.00 0.00 C ATOM 992 OE1 GLN A 72 -5.237 -7.438 17.409 1.00 0.00 O ATOM 993 NE2 GLN A 72 -3.980 -5.744 18.140 1.00 0.00 N ATOM 0 H GLN A 72 -5.859 -3.962 15.085 1.00 0.00 H new ATOM 0 HA GLN A 72 -5.776 -6.781 15.153 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.909 -4.866 16.157 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.739 -6.546 16.626 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -5.820 -4.271 17.217 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.807 -5.152 18.366 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.906 -4.746 18.337 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.184 -6.358 18.314 1.00 0.00 H new ATOM 1002 N ALA A 73 -8.053 -5.454 13.209 1.00 0.00 N ATOM 1003 CA ALA A 73 -9.038 -5.759 12.174 1.00 0.00 C ATOM 1004 C ALA A 73 -8.391 -6.447 10.975 1.00 0.00 C ATOM 1005 O ALA A 73 -8.878 -7.467 10.496 1.00 0.00 O ATOM 1006 CB ALA A 73 -9.754 -4.491 11.732 1.00 0.00 C ATOM 0 H ALA A 73 -7.851 -4.460 13.318 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.768 -6.447 12.601 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.484 -4.736 10.961 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.264 -4.044 12.586 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.028 -3.783 11.332 1.00 0.00 H new ATOM 1012 N VAL A 74 -7.284 -5.892 10.504 1.00 0.00 N ATOM 1013 CA VAL A 74 -6.583 -6.448 9.350 1.00 0.00 C ATOM 1014 C VAL A 74 -5.908 -7.772 9.707 1.00 0.00 C ATOM 1015 O VAL A 74 -5.843 -8.691 8.890 1.00 0.00 O ATOM 1016 CB VAL A 74 -5.527 -5.457 8.797 1.00 0.00 C ATOM 1017 CG1 VAL A 74 -4.799 -6.047 7.595 1.00 0.00 C ATOM 1018 CG2 VAL A 74 -6.178 -4.134 8.425 1.00 0.00 C ATOM 0 H VAL A 74 -6.850 -5.058 10.901 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.329 -6.627 8.576 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.794 -5.275 9.583 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.064 -5.331 7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.293 -6.966 7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.518 -6.267 6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.421 -3.452 8.039 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.937 -4.304 7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.644 -3.697 9.308 1.00 0.00 H new ATOM 1028 N SER A 75 -5.426 -7.874 10.930 1.00 0.00 N ATOM 1029 CA SER A 75 -4.767 -9.080 11.385 1.00 0.00 C ATOM 1030 C SER A 75 -5.800 -10.197 11.635 1.00 0.00 C ATOM 1031 O SER A 75 -5.475 -11.387 11.599 1.00 0.00 O ATOM 1032 CB SER A 75 -3.946 -8.779 12.645 1.00 0.00 C ATOM 1033 OG SER A 75 -4.785 -8.415 13.727 1.00 0.00 O ATOM 0 H SER A 75 -5.479 -7.132 11.628 1.00 0.00 H new ATOM 0 HA SER A 75 -4.085 -9.432 10.611 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.357 -9.655 12.917 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.242 -7.973 12.440 1.00 0.00 H new ATOM 0 HG SER A 75 -4.975 -7.455 13.685 1.00 0.00 H new ATOM 1039 N ARG A 76 -7.048 -9.793 11.871 1.00 0.00 N ATOM 1040 CA ARG A 76 -8.148 -10.730 12.078 1.00 0.00 C ATOM 1041 C ARG A 76 -8.760 -11.119 10.734 1.00 0.00 C ATOM 1042 O ARG A 76 -9.507 -12.092 10.630 1.00 0.00 O ATOM 1043 CB ARG A 76 -9.220 -10.093 12.980 1.00 0.00 C ATOM 1044 CG ARG A 76 -10.426 -10.978 13.272 1.00 0.00 C ATOM 1045 CD ARG A 76 -10.038 -12.211 14.069 1.00 0.00 C ATOM 1046 NE ARG A 76 -11.200 -13.025 14.416 1.00 0.00 N ATOM 1047 CZ ARG A 76 -11.242 -13.881 15.436 1.00 0.00 C ATOM 1048 NH1 ARG A 76 -10.159 -14.094 16.179 1.00 0.00 N ATOM 1049 NH2 ARG A 76 -12.364 -14.534 15.707 1.00 0.00 N ATOM 0 H ARG A 76 -7.322 -8.812 11.924 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.764 -11.626 12.565 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.757 -9.812 13.926 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.569 -9.173 12.510 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.171 -10.407 13.825 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.890 -11.282 12.334 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.335 -12.810 13.491 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.523 -11.907 14.980 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.036 -12.932 13.839 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -9.291 -13.601 15.969 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.197 -14.750 16.959 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.194 -14.381 15.135 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.397 -15.190 16.488 1.00 0.00 H new ATOM 1063 N LEU A 77 -8.436 -10.355 9.713 1.00 0.00 N ATOM 1064 CA LEU A 77 -8.947 -10.597 8.381 1.00 0.00 C ATOM 1065 C LEU A 77 -8.265 -11.824 7.770 1.00 0.00 C ATOM 1066 O LEU A 77 -7.035 -11.891 7.700 1.00 0.00 O ATOM 1067 CB LEU A 77 -8.709 -9.367 7.506 1.00 0.00 C ATOM 1068 CG LEU A 77 -9.478 -9.317 6.192 1.00 0.00 C ATOM 1069 CD1 LEU A 77 -10.969 -9.152 6.449 1.00 0.00 C ATOM 1070 CD2 LEU A 77 -8.961 -8.189 5.327 1.00 0.00 C ATOM 0 H LEU A 77 -7.813 -9.551 9.782 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.018 -10.789 8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.963 -8.480 8.086 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.644 -9.307 7.282 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.325 -10.259 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.501 -9.118 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.332 -9.994 7.038 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -11.144 -8.225 6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.518 -8.164 4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.088 -7.241 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.904 -8.348 5.115 1.00 0.00 H new ATOM 1171 N TYR A 86 -2.738 -10.089 -0.379 1.00 0.00 N ATOM 1172 CA TYR A 86 -3.064 -8.800 0.178 1.00 0.00 C ATOM 1173 C TYR A 86 -2.155 -7.722 -0.428 1.00 0.00 C ATOM 1174 O TYR A 86 -1.517 -7.928 -1.458 1.00 0.00 O ATOM 1175 CB TYR A 86 -2.881 -8.844 1.699 1.00 0.00 C ATOM 1176 CG TYR A 86 -3.922 -8.088 2.469 1.00 0.00 C ATOM 1177 CD1 TYR A 86 -5.260 -8.423 2.365 1.00 0.00 C ATOM 1178 CD2 TYR A 86 -3.566 -7.049 3.317 1.00 0.00 C ATOM 1179 CE1 TYR A 86 -6.218 -7.744 3.078 1.00 0.00 C ATOM 1180 CE2 TYR A 86 -4.515 -6.365 4.033 1.00 0.00 C ATOM 1181 CZ TYR A 86 -5.837 -6.711 3.915 1.00 0.00 C ATOM 1182 OH TYR A 86 -6.781 -6.023 4.631 1.00 0.00 O ATOM 0 HA TYR A 86 -4.100 -8.556 -0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.890 -9.884 2.024 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -1.899 -8.441 1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.556 -9.231 1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.526 -6.775 3.415 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.260 -8.014 2.986 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -4.222 -5.557 4.687 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.390 -5.192 4.974 1.00 0.00 H new ATOM 1192 N ALA A 87 -2.075 -6.594 0.231 1.00 0.00 N ATOM 1193 CA ALA A 87 -1.253 -5.486 -0.234 1.00 0.00 C ATOM 1194 C ALA A 87 0.231 -5.724 0.074 1.00 0.00 C ATOM 1195 O ALA A 87 1.030 -4.797 0.052 1.00 0.00 O ATOM 1196 CB ALA A 87 -1.721 -4.214 0.431 1.00 0.00 C ATOM 0 H ALA A 87 -2.572 -6.410 1.102 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.357 -5.403 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.111 -3.378 0.088 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.764 -4.031 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.627 -4.313 1.512 1.00 0.00 H new ATOM 1202 N GLN A 88 0.583 -6.965 0.332 1.00 0.00 N ATOM 1203 CA GLN A 88 1.937 -7.317 0.713 1.00 0.00 C ATOM 1204 C GLN A 88 2.838 -7.419 -0.502 1.00 0.00 C ATOM 1205 O GLN A 88 3.851 -6.730 -0.593 1.00 0.00 O ATOM 1206 CB GLN A 88 1.928 -8.626 1.484 1.00 0.00 C ATOM 1207 CG GLN A 88 0.815 -8.689 2.500 1.00 0.00 C ATOM 1208 CD GLN A 88 0.947 -9.833 3.460 1.00 0.00 C ATOM 1209 OE1 GLN A 88 1.510 -10.876 3.137 1.00 0.00 O ATOM 1210 NE2 GLN A 88 0.412 -9.650 4.647 1.00 0.00 N ATOM 0 H GLN A 88 -0.058 -7.757 0.284 1.00 0.00 H new ATOM 0 HA GLN A 88 2.334 -6.529 1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.825 -9.455 0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.885 -8.753 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.792 -7.755 3.061 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.139 -8.771 1.978 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.045 -8.766 4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.454 -10.392 5.345 1.00 0.00 H new ATOM 1219 N ALA A 89 2.460 -8.265 -1.445 1.00 0.00 N ATOM 1220 CA ALA A 89 3.237 -8.431 -2.658 1.00 0.00 C ATOM 1221 C ALA A 89 3.223 -7.145 -3.474 1.00 0.00 C ATOM 1222 O ALA A 89 4.223 -6.766 -4.077 1.00 0.00 O ATOM 1223 CB ALA A 89 2.698 -9.594 -3.477 1.00 0.00 C ATOM 0 H ALA A 89 1.623 -8.845 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 89 4.269 -8.654 -2.385 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.292 -9.706 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.756 -10.510 -2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.659 -9.400 -3.745 1.00 0.00 H new ATOM 1229 N PHE A 90 2.088 -6.458 -3.448 1.00 0.00 N ATOM 1230 CA PHE A 90 1.904 -5.214 -4.195 1.00 0.00 C ATOM 1231 C PHE A 90 2.479 -4.015 -3.440 1.00 0.00 C ATOM 1232 O PHE A 90 2.222 -2.864 -3.803 1.00 0.00 O ATOM 1233 CB PHE A 90 0.412 -4.975 -4.471 1.00 0.00 C ATOM 1234 CG PHE A 90 -0.217 -5.984 -5.391 1.00 0.00 C ATOM 1235 CD1 PHE A 90 -0.722 -7.179 -4.898 1.00 0.00 C ATOM 1236 CD2 PHE A 90 -0.304 -5.736 -6.752 1.00 0.00 C ATOM 1237 CE1 PHE A 90 -1.301 -8.104 -5.746 1.00 0.00 C ATOM 1238 CE2 PHE A 90 -0.880 -6.656 -7.603 1.00 0.00 C ATOM 1239 CZ PHE A 90 -1.380 -7.843 -7.100 1.00 0.00 C ATOM 0 H PHE A 90 1.269 -6.744 -2.911 1.00 0.00 H new ATOM 0 HA PHE A 90 2.441 -5.316 -5.138 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.126 -4.980 -3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.289 -3.981 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.662 -7.388 -3.840 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.084 -4.811 -7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.691 -9.030 -5.350 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.940 -6.449 -8.661 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.831 -8.565 -7.765 1.00 0.00 H new ATOM 1249 N SER A 91 3.269 -4.285 -2.415 1.00 0.00 N ATOM 1250 CA SER A 91 3.822 -3.238 -1.578 1.00 0.00 C ATOM 1251 C SER A 91 4.678 -2.245 -2.372 1.00 0.00 C ATOM 1252 O SER A 91 4.535 -1.044 -2.197 1.00 0.00 O ATOM 1253 CB SER A 91 4.638 -3.838 -0.429 1.00 0.00 C ATOM 1254 OG SER A 91 5.082 -2.833 0.468 1.00 0.00 O ATOM 0 H SER A 91 3.543 -5.229 -2.142 1.00 0.00 H new ATOM 0 HA SER A 91 2.978 -2.684 -1.168 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.031 -4.566 0.109 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.497 -4.374 -0.832 1.00 0.00 H new ATOM 0 HG SER A 91 5.930 -3.109 0.875 1.00 0.00 H new ATOM 1260 N SER A 92 5.536 -2.747 -3.261 1.00 0.00 N ATOM 1261 CA SER A 92 6.460 -1.885 -3.993 1.00 0.00 C ATOM 1262 C SER A 92 5.731 -0.879 -4.892 1.00 0.00 C ATOM 1263 O SER A 92 6.116 0.294 -4.958 1.00 0.00 O ATOM 1264 CB SER A 92 7.441 -2.723 -4.820 1.00 0.00 C ATOM 1265 OG SER A 92 8.586 -1.965 -5.186 1.00 0.00 O ATOM 0 H SER A 92 5.609 -3.738 -3.489 1.00 0.00 H new ATOM 0 HA SER A 92 7.016 -1.313 -3.250 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.749 -3.597 -4.247 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.943 -3.090 -5.717 1.00 0.00 H new ATOM 0 HG SER A 92 8.746 -2.059 -6.148 1.00 0.00 H new ATOM 1271 N ALA A 93 4.678 -1.326 -5.558 1.00 0.00 N ATOM 1272 CA ALA A 93 3.939 -0.465 -6.474 1.00 0.00 C ATOM 1273 C ALA A 93 3.133 0.582 -5.725 1.00 0.00 C ATOM 1274 O ALA A 93 2.972 1.697 -6.194 1.00 0.00 O ATOM 1275 CB ALA A 93 3.031 -1.293 -7.371 1.00 0.00 C ATOM 0 H ALA A 93 4.315 -2.276 -5.483 1.00 0.00 H new ATOM 0 HA ALA A 93 4.666 0.057 -7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.488 -0.633 -8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.633 -1.992 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.321 -1.848 -6.757 1.00 0.00 H new ATOM 1281 N LEU A 94 2.625 0.208 -4.562 1.00 0.00 N ATOM 1282 CA LEU A 94 1.815 1.110 -3.754 1.00 0.00 C ATOM 1283 C LEU A 94 2.682 2.009 -2.875 1.00 0.00 C ATOM 1284 O LEU A 94 2.217 3.025 -2.350 1.00 0.00 O ATOM 1285 CB LEU A 94 0.837 0.316 -2.891 1.00 0.00 C ATOM 1286 CG LEU A 94 -0.011 -0.715 -3.632 1.00 0.00 C ATOM 1287 CD1 LEU A 94 -1.057 -1.314 -2.709 1.00 0.00 C ATOM 1288 CD2 LEU A 94 -0.655 -0.098 -4.861 1.00 0.00 C ATOM 0 H LEU A 94 2.759 -0.717 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 94 1.254 1.750 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.401 -0.197 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.169 1.018 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 94 0.643 -1.521 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.650 -2.046 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.564 -1.803 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.709 -0.524 -2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.255 -0.850 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.294 0.732 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.121 0.268 -5.533 1.00 0.00 H new ATOM 1300 N PHE A 95 3.918 1.597 -2.663 1.00 0.00 N ATOM 1301 CA PHE A 95 4.847 2.358 -1.846 1.00 0.00 C ATOM 1302 C PHE A 95 5.544 3.411 -2.686 1.00 0.00 C ATOM 1303 O PHE A 95 5.799 4.526 -2.219 1.00 0.00 O ATOM 1304 CB PHE A 95 5.873 1.419 -1.204 1.00 0.00 C ATOM 1305 CG PHE A 95 6.704 2.051 -0.129 1.00 0.00 C ATOM 1306 CD1 PHE A 95 6.160 2.308 1.119 1.00 0.00 C ATOM 1307 CD2 PHE A 95 8.028 2.379 -0.359 1.00 0.00 C ATOM 1308 CE1 PHE A 95 6.920 2.881 2.117 1.00 0.00 C ATOM 1309 CE2 PHE A 95 8.794 2.955 0.635 1.00 0.00 C ATOM 1310 CZ PHE A 95 8.238 3.206 1.875 1.00 0.00 C ATOM 0 H PHE A 95 4.304 0.735 -3.047 1.00 0.00 H new ATOM 0 HA PHE A 95 4.291 2.860 -1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 95 5.349 0.561 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.535 1.038 -1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.128 2.056 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 95 8.467 2.183 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.484 3.075 3.086 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.826 3.209 0.444 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.835 3.656 2.654 1.00 0.00 H new ATOM 1320 N ASN A 96 5.838 3.040 -3.933 1.00 0.00 N ATOM 1321 CA ASN A 96 6.516 3.911 -4.889 1.00 0.00 C ATOM 1322 C ASN A 96 7.849 4.391 -4.338 1.00 0.00 C ATOM 1323 O ASN A 96 7.962 5.497 -3.817 1.00 0.00 O ATOM 1324 CB ASN A 96 5.632 5.099 -5.305 1.00 0.00 C ATOM 1325 CG ASN A 96 4.326 4.660 -5.926 1.00 0.00 C ATOM 1326 OD1 ASN A 96 3.326 4.500 -5.240 1.00 0.00 O ATOM 1327 ND2 ASN A 96 4.332 4.460 -7.231 1.00 0.00 N ATOM 0 H ASN A 96 5.610 2.120 -4.309 1.00 0.00 H new ATOM 0 HA ASN A 96 6.711 3.321 -5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.425 5.717 -4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.177 5.722 -6.015 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.480 4.160 -7.705 1.00 0.00 H new ATOM 0 HD22 ASN A 96 5.189 4.605 -7.765 1.00 0.00 H new ATOM 1334 N ALA A 97 8.857 3.537 -4.445 1.00 0.00 N ATOM 1335 CA ALA A 97 10.188 3.843 -3.933 1.00 0.00 C ATOM 1336 C ALA A 97 10.936 4.823 -4.842 1.00 0.00 C ATOM 1337 O ALA A 97 11.979 5.352 -4.469 1.00 0.00 O ATOM 1338 CB ALA A 97 10.993 2.565 -3.775 1.00 0.00 C ATOM 0 H ALA A 97 8.778 2.620 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 97 10.065 4.319 -2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.985 2.805 -3.392 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.486 1.899 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.087 2.072 -4.743 1.00 0.00 H new ATOM 1344 N GLY A 98 10.404 5.043 -6.038 1.00 0.00 N ATOM 1345 CA GLY A 98 11.045 5.938 -6.991 1.00 0.00 C ATOM 1346 C GLY A 98 12.065 5.218 -7.845 1.00 0.00 C ATOM 1347 O GLY A 98 12.542 5.747 -8.846 1.00 0.00 O ATOM 0 H GLY A 98 9.538 4.618 -6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.287 6.388 -7.633 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.532 6.752 -6.454 1.00 0.00 H new ATOM 1351 N VAL A 99 12.388 4.003 -7.445 1.00 0.00 N ATOM 1352 CA VAL A 99 13.360 3.189 -8.152 1.00 0.00 C ATOM 1353 C VAL A 99 12.666 2.376 -9.240 1.00 0.00 C ATOM 1354 O VAL A 99 13.302 1.868 -10.163 1.00 0.00 O ATOM 1355 CB VAL A 99 14.084 2.223 -7.178 1.00 0.00 C ATOM 1356 CG1 VAL A 99 15.273 1.548 -7.851 1.00 0.00 C ATOM 1357 CG2 VAL A 99 14.523 2.962 -5.921 1.00 0.00 C ATOM 0 H VAL A 99 11.986 3.553 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 99 14.096 3.855 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 99 13.378 1.443 -6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 99 15.759 0.877 -7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 99 14.927 0.977 -8.713 1.00 0.00 H new ATOM 0 HG13 VAL A 99 15.984 2.306 -8.180 1.00 0.00 H new ATOM 0 HG21 VAL A 99 15.029 2.269 -5.249 1.00 0.00 H new ATOM 0 HG22 VAL A 99 15.205 3.768 -6.192 1.00 0.00 H new ATOM 0 HG23 VAL A 99 13.649 3.379 -5.421 1.00 0.00 H new ATOM 1367 N LEU A 100 11.351 2.292 -9.139 1.00 0.00 N ATOM 1368 CA LEU A 100 10.559 1.518 -10.077 1.00 0.00 C ATOM 1369 C LEU A 100 10.238 2.331 -11.305 1.00 0.00 C ATOM 1370 O LEU A 100 10.330 3.560 -11.288 1.00 0.00 O ATOM 1371 CB LEU A 100 9.251 1.020 -9.436 1.00 0.00 C ATOM 1372 CG LEU A 100 8.190 2.077 -9.113 1.00 0.00 C ATOM 1373 CD1 LEU A 100 6.819 1.432 -9.048 1.00 0.00 C ATOM 1374 CD2 LEU A 100 8.499 2.771 -7.798 1.00 0.00 C ATOM 0 H LEU A 100 10.806 2.754 -8.411 1.00 0.00 H new ATOM 0 HA LEU A 100 11.156 0.652 -10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.804 0.284 -10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.503 0.499 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 100 8.199 2.825 -9.906 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.071 2.190 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.587 0.973 -10.009 1.00 0.00 H new ATOM 0 HD13 LEU A 100 6.813 0.668 -8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.731 3.517 -7.591 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.517 2.035 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.471 3.260 -7.864 1.00 0.00 H new ATOM 1386 N ASN A 101 9.867 1.645 -12.369 1.00 0.00 N ATOM 1387 CA ASN A 101 9.524 2.285 -13.613 1.00 0.00 C ATOM 1388 C ASN A 101 8.240 3.080 -13.466 1.00 0.00 C ATOM 1389 O ASN A 101 7.143 2.507 -13.373 1.00 0.00 O ATOM 1390 CB ASN A 101 9.375 1.247 -14.721 1.00 0.00 C ATOM 1391 CG ASN A 101 9.038 1.873 -16.056 1.00 0.00 C ATOM 1392 OD1 ASN A 101 9.447 2.993 -16.353 1.00 0.00 O ATOM 1393 ND2 ASN A 101 8.272 1.166 -16.858 1.00 0.00 N ATOM 0 H ASN A 101 9.797 0.628 -12.390 1.00 0.00 H new ATOM 0 HA ASN A 101 10.329 2.970 -13.880 1.00 0.00 H new ATOM 0 HB2 ASN A 101 10.302 0.681 -14.812 1.00 0.00 H new ATOM 0 HB3 ASN A 101 8.594 0.538 -14.448 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.996 1.544 -17.764 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.954 0.240 -16.574 1.00 0.00 H new ATOM 1400 N ALA A 102 8.379 4.393 -13.444 1.00 0.00 N ATOM 1401 CA ALA A 102 7.250 5.292 -13.300 1.00 0.00 C ATOM 1402 C ALA A 102 6.369 5.260 -14.537 1.00 0.00 C ATOM 1403 O ALA A 102 5.216 5.693 -14.500 1.00 0.00 O ATOM 1404 CB ALA A 102 7.738 6.707 -13.030 1.00 0.00 C ATOM 0 H ALA A 102 9.279 4.866 -13.526 1.00 0.00 H new ATOM 0 HA ALA A 102 6.652 4.959 -12.452 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.882 7.373 -12.924 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.325 6.721 -12.111 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.358 7.043 -13.861 1.00 0.00 H new ATOM 1410 N SER A 103 6.903 4.719 -15.625 1.00 0.00 N ATOM 1411 CA SER A 103 6.166 4.629 -16.862 1.00 0.00 C ATOM 1412 C SER A 103 5.127 3.534 -16.756 1.00 0.00 C ATOM 1413 O SER A 103 4.090 3.595 -17.390 1.00 0.00 O ATOM 1414 CB SER A 103 7.111 4.345 -18.020 1.00 0.00 C ATOM 1415 OG SER A 103 8.208 5.243 -18.011 1.00 0.00 O ATOM 0 H SER A 103 7.848 4.337 -15.667 1.00 0.00 H new ATOM 0 HA SER A 103 5.667 5.580 -17.048 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.475 3.320 -17.954 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.572 4.432 -18.964 1.00 0.00 H new ATOM 0 HG SER A 103 8.947 4.852 -17.500 1.00 0.00 H new ATOM 1421 N ASN A 104 5.406 2.541 -15.918 1.00 0.00 N ATOM 1422 CA ASN A 104 4.485 1.440 -15.712 1.00 0.00 C ATOM 1423 C ASN A 104 3.280 1.935 -14.927 1.00 0.00 C ATOM 1424 O ASN A 104 2.148 1.502 -15.152 1.00 0.00 O ATOM 1425 CB ASN A 104 5.205 0.268 -15.011 1.00 0.00 C ATOM 1426 CG ASN A 104 4.642 -0.092 -13.644 1.00 0.00 C ATOM 1427 OD1 ASN A 104 3.697 -0.870 -13.528 1.00 0.00 O ATOM 1428 ND2 ASN A 104 5.242 0.446 -12.609 1.00 0.00 N ATOM 0 H ASN A 104 6.265 2.480 -15.372 1.00 0.00 H new ATOM 0 HA ASN A 104 4.127 1.063 -16.670 1.00 0.00 H new ATOM 0 HB2 ASN A 104 5.153 -0.611 -15.654 1.00 0.00 H new ATOM 0 HB3 ASN A 104 6.260 0.520 -14.901 1.00 0.00 H new ATOM 0 HD21 ASN A 104 4.928 0.223 -11.665 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.023 1.087 -12.749 1.00 0.00 H new ATOM 1435 N ILE A 105 3.531 2.880 -14.029 1.00 0.00 N ATOM 1436 CA ILE A 105 2.468 3.527 -13.275 1.00 0.00 C ATOM 1437 C ILE A 105 1.603 4.340 -14.233 1.00 0.00 C ATOM 1438 O ILE A 105 0.384 4.438 -14.075 1.00 0.00 O ATOM 1439 CB ILE A 105 3.049 4.443 -12.159 1.00 0.00 C ATOM 1440 CG1 ILE A 105 3.953 3.642 -11.214 1.00 0.00 C ATOM 1441 CG2 ILE A 105 1.950 5.138 -11.373 1.00 0.00 C ATOM 1442 CD1 ILE A 105 3.311 2.382 -10.665 1.00 0.00 C ATOM 0 H ILE A 105 4.468 3.216 -13.805 1.00 0.00 H new ATOM 0 HA ILE A 105 1.861 2.762 -12.790 1.00 0.00 H new ATOM 0 HB ILE A 105 3.646 5.212 -12.649 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.866 3.371 -11.744 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.246 4.280 -10.381 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.396 5.768 -10.603 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.355 5.754 -12.047 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.310 4.391 -10.904 1.00 0.00 H new ATOM 0 HD11 ILE A 105 4.014 1.873 -10.006 1.00 0.00 H new ATOM 0 HD12 ILE A 105 2.414 2.645 -10.105 1.00 0.00 H new ATOM 0 HD13 ILE A 105 3.043 1.721 -11.489 1.00 0.00 H new ATOM 1454 N ASP A 106 2.244 4.894 -15.246 1.00 0.00 N ATOM 1455 CA ASP A 106 1.547 5.628 -16.286 1.00 0.00 C ATOM 1456 C ASP A 106 0.774 4.667 -17.180 1.00 0.00 C ATOM 1457 O ASP A 106 -0.299 4.992 -17.665 1.00 0.00 O ATOM 1458 CB ASP A 106 2.543 6.437 -17.131 1.00 0.00 C ATOM 1459 CG ASP A 106 1.912 7.050 -18.372 1.00 0.00 C ATOM 1460 OD1 ASP A 106 1.281 8.125 -18.258 1.00 0.00 O ATOM 1461 OD2 ASP A 106 2.056 6.468 -19.472 1.00 0.00 O ATOM 0 H ASP A 106 3.255 4.849 -15.371 1.00 0.00 H new ATOM 0 HA ASP A 106 0.847 6.316 -15.812 1.00 0.00 H new ATOM 0 HB2 ASP A 106 2.970 7.231 -16.518 1.00 0.00 H new ATOM 0 HB3 ASP A 106 3.366 5.789 -17.432 1.00 0.00 H new ATOM 1466 N THR A 107 1.317 3.465 -17.351 1.00 0.00 N ATOM 1467 CA THR A 107 0.730 2.465 -18.230 1.00 0.00 C ATOM 1468 C THR A 107 -0.595 1.938 -17.686 1.00 0.00 C ATOM 1469 O THR A 107 -1.647 2.135 -18.296 1.00 0.00 O ATOM 1470 CB THR A 107 1.693 1.270 -18.439 1.00 0.00 C ATOM 1471 OG1 THR A 107 2.966 1.739 -18.889 1.00 0.00 O ATOM 1472 CG2 THR A 107 1.132 0.290 -19.458 1.00 0.00 C ATOM 0 H THR A 107 2.172 3.160 -16.886 1.00 0.00 H new ATOM 0 HA THR A 107 0.549 2.961 -19.183 1.00 0.00 H new ATOM 0 HB THR A 107 1.805 0.758 -17.483 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.371 2.301 -18.196 1.00 0.00 H new ATOM 0 HG21 THR A 107 1.827 -0.539 -19.586 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.173 -0.091 -19.107 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.993 0.798 -20.413 1.00 0.00 H new ATOM 1480 N LEU A 108 -0.550 1.295 -16.532 1.00 0.00 N ATOM 1481 CA LEU A 108 -1.753 0.675 -15.984 1.00 0.00 C ATOM 1482 C LEU A 108 -2.110 1.217 -14.614 1.00 0.00 C ATOM 1483 O LEU A 108 -3.255 1.113 -14.188 1.00 0.00 O ATOM 1484 CB LEU A 108 -1.612 -0.853 -15.909 1.00 0.00 C ATOM 1485 CG LEU A 108 -0.649 -1.397 -14.842 1.00 0.00 C ATOM 1486 CD1 LEU A 108 -0.990 -2.837 -14.518 1.00 0.00 C ATOM 1487 CD2 LEU A 108 0.798 -1.294 -15.308 1.00 0.00 C ATOM 0 H LEU A 108 0.289 1.187 -15.962 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.561 0.927 -16.670 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.599 -1.279 -15.728 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.283 -1.214 -16.883 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.761 -0.792 -13.942 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.302 -3.212 -13.761 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.011 -2.893 -14.140 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.903 -3.443 -15.420 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.458 -1.686 -14.534 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.928 -1.872 -16.223 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.045 -0.250 -15.501 1.00 0.00 H new ATOM 1499 N GLY A 109 -1.137 1.796 -13.933 1.00 0.00 N ATOM 1500 CA GLY A 109 -1.371 2.308 -12.597 1.00 0.00 C ATOM 1501 C GLY A 109 -2.508 3.314 -12.539 1.00 0.00 C ATOM 1502 O GLY A 109 -3.546 3.060 -11.924 1.00 0.00 O ATOM 0 H GLY A 109 -0.186 1.922 -14.280 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.594 1.476 -11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.459 2.777 -12.228 1.00 0.00 H new ATOM 1506 N SER A 110 -2.322 4.444 -13.186 1.00 0.00 N ATOM 1507 CA SER A 110 -3.330 5.496 -13.178 1.00 0.00 C ATOM 1508 C SER A 110 -4.549 5.115 -14.022 1.00 0.00 C ATOM 1509 O SER A 110 -5.582 5.771 -13.964 1.00 0.00 O ATOM 1510 CB SER A 110 -2.729 6.814 -13.672 1.00 0.00 C ATOM 1511 OG SER A 110 -1.651 7.225 -12.842 1.00 0.00 O ATOM 0 H SER A 110 -1.485 4.663 -13.726 1.00 0.00 H new ATOM 0 HA SER A 110 -3.667 5.624 -12.149 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.379 6.696 -14.697 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.498 7.586 -13.685 1.00 0.00 H new ATOM 0 HG SER A 110 -1.282 8.068 -13.178 1.00 0.00 H new ATOM 1517 N ARG A 111 -4.424 4.053 -14.798 1.00 0.00 N ATOM 1518 CA ARG A 111 -5.518 3.602 -15.643 1.00 0.00 C ATOM 1519 C ARG A 111 -6.453 2.662 -14.898 1.00 0.00 C ATOM 1520 O ARG A 111 -7.629 2.961 -14.715 1.00 0.00 O ATOM 1521 CB ARG A 111 -4.992 2.910 -16.906 1.00 0.00 C ATOM 1522 CG ARG A 111 -4.658 3.853 -18.049 1.00 0.00 C ATOM 1523 CD ARG A 111 -3.469 4.739 -17.739 1.00 0.00 C ATOM 1524 NE ARG A 111 -3.244 5.722 -18.798 1.00 0.00 N ATOM 1525 CZ ARG A 111 -2.447 5.528 -19.856 1.00 0.00 C ATOM 1526 NH1 ARG A 111 -1.828 4.361 -20.029 1.00 0.00 N ATOM 1527 NH2 ARG A 111 -2.285 6.494 -20.744 1.00 0.00 N ATOM 0 H ARG A 111 -3.578 3.487 -14.861 1.00 0.00 H new ATOM 0 HA ARG A 111 -6.080 4.490 -15.932 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.098 2.342 -16.648 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.738 2.193 -17.249 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.450 3.271 -18.947 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -5.525 4.477 -18.267 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -3.634 5.254 -16.792 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.577 4.124 -17.616 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.728 6.617 -18.726 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -1.960 3.609 -19.353 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.222 4.220 -20.837 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -2.767 7.385 -20.622 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.678 6.349 -21.551 1.00 0.00 H new ATOM 1541 N VAL A 112 -5.915 1.542 -14.449 1.00 0.00 N ATOM 1542 CA VAL A 112 -6.709 0.512 -13.797 1.00 0.00 C ATOM 1543 C VAL A 112 -6.983 0.856 -12.340 1.00 0.00 C ATOM 1544 O VAL A 112 -8.139 0.932 -11.923 1.00 0.00 O ATOM 1545 CB VAL A 112 -6.013 -0.870 -13.876 1.00 0.00 C ATOM 1546 CG1 VAL A 112 -6.896 -1.960 -13.280 1.00 0.00 C ATOM 1547 CG2 VAL A 112 -5.645 -1.206 -15.315 1.00 0.00 C ATOM 0 H VAL A 112 -4.922 1.320 -14.524 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.658 0.463 -14.331 1.00 0.00 H new ATOM 0 HB VAL A 112 -5.096 -0.819 -13.290 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -6.385 -2.920 -13.348 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.101 -1.731 -12.234 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.835 -2.009 -13.831 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -5.157 -2.180 -15.348 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.548 -1.231 -15.925 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.966 -0.447 -15.704 1.00 0.00 H new ATOM 1557 N LEU A 113 -5.914 1.080 -11.575 1.00 0.00 N ATOM 1558 CA LEU A 113 -6.034 1.371 -10.148 1.00 0.00 C ATOM 1559 C LEU A 113 -6.810 2.665 -9.939 1.00 0.00 C ATOM 1560 O LEU A 113 -7.803 2.690 -9.216 1.00 0.00 O ATOM 1561 CB LEU A 113 -4.645 1.483 -9.505 1.00 0.00 C ATOM 1562 CG LEU A 113 -3.632 0.411 -9.909 1.00 0.00 C ATOM 1563 CD1 LEU A 113 -2.260 0.727 -9.338 1.00 0.00 C ATOM 1564 CD2 LEU A 113 -4.087 -0.953 -9.452 1.00 0.00 C ATOM 0 H LEU A 113 -4.955 1.065 -11.921 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.575 0.553 -9.672 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.229 2.460 -9.753 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.764 1.453 -8.422 1.00 0.00 H new ATOM 0 HG LEU A 113 -3.562 0.405 -10.997 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.554 -0.048 -9.637 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.922 1.692 -9.716 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.318 0.764 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -3.352 -1.701 -9.750 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.190 -0.958 -8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.048 -1.188 -9.909 1.00 0.00 H new ATOM 1576 N SER A 114 -6.325 3.734 -10.574 1.00 0.00 N ATOM 1577 CA SER A 114 -6.968 5.053 -10.547 1.00 0.00 C ATOM 1578 C SER A 114 -7.198 5.585 -9.118 1.00 0.00 C ATOM 1579 O SER A 114 -6.351 6.297 -8.566 1.00 0.00 O ATOM 1580 CB SER A 114 -8.284 5.021 -11.337 1.00 0.00 C ATOM 1581 OG SER A 114 -8.915 6.294 -11.347 1.00 0.00 O ATOM 0 H SER A 114 -5.468 3.710 -11.126 1.00 0.00 H new ATOM 0 HA SER A 114 -6.279 5.750 -11.024 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.088 4.703 -12.361 1.00 0.00 H new ATOM 0 HB3 SER A 114 -8.956 4.284 -10.897 1.00 0.00 H new ATOM 0 HG SER A 114 -9.749 6.242 -11.859 1.00 0.00 H new ATOM 1587 N ALA A 115 -8.336 5.215 -8.520 1.00 0.00 N ATOM 1588 CA ALA A 115 -8.723 5.681 -7.189 1.00 0.00 C ATOM 1589 C ALA A 115 -7.664 5.347 -6.154 1.00 0.00 C ATOM 1590 O ALA A 115 -7.446 6.104 -5.208 1.00 0.00 O ATOM 1591 CB ALA A 115 -10.060 5.079 -6.788 1.00 0.00 C ATOM 0 H ALA A 115 -9.013 4.584 -8.948 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.819 6.766 -7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.336 5.434 -5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.824 5.378 -7.506 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.980 3.992 -6.775 1.00 0.00 H new ATOM 1597 N LEU A 116 -6.998 4.225 -6.345 1.00 0.00 N ATOM 1598 CA LEU A 116 -5.965 3.807 -5.434 1.00 0.00 C ATOM 1599 C LEU A 116 -4.782 4.754 -5.500 1.00 0.00 C ATOM 1600 O LEU A 116 -4.331 5.254 -4.477 1.00 0.00 O ATOM 1601 CB LEU A 116 -5.522 2.373 -5.733 1.00 0.00 C ATOM 1602 CG LEU A 116 -4.362 1.841 -4.884 1.00 0.00 C ATOM 1603 CD1 LEU A 116 -4.695 1.906 -3.403 1.00 0.00 C ATOM 1604 CD2 LEU A 116 -4.026 0.420 -5.283 1.00 0.00 C ATOM 0 H LEU A 116 -7.158 3.589 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.373 3.833 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -6.379 1.713 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -5.236 2.313 -6.783 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.493 2.474 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.855 1.523 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -4.890 2.940 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.580 1.302 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -3.200 0.056 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.898 -0.216 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.737 0.396 -6.334 1.00 0.00 H new ATOM 1616 N LEU A 117 -4.307 5.035 -6.711 1.00 0.00 N ATOM 1617 CA LEU A 117 -3.154 5.909 -6.876 1.00 0.00 C ATOM 1618 C LEU A 117 -3.461 7.333 -6.466 1.00 0.00 C ATOM 1619 O LEU A 117 -2.565 8.076 -6.094 1.00 0.00 O ATOM 1620 CB LEU A 117 -2.590 5.859 -8.288 1.00 0.00 C ATOM 1621 CG LEU A 117 -1.925 4.545 -8.682 1.00 0.00 C ATOM 1622 CD1 LEU A 117 -1.169 4.721 -9.971 1.00 0.00 C ATOM 1623 CD2 LEU A 117 -0.991 4.050 -7.582 1.00 0.00 C ATOM 0 H LEU A 117 -4.698 4.674 -7.581 1.00 0.00 H new ATOM 0 HA LEU A 117 -2.384 5.529 -6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -3.398 6.062 -8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -1.862 6.662 -8.398 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.703 3.795 -8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -0.696 3.779 -10.247 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -1.858 5.025 -10.758 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -0.404 5.487 -9.843 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -0.531 3.111 -7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.214 4.793 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -1.560 3.891 -6.666 1.00 0.00 H new ATOM 1635 N ASN A 118 -4.729 7.712 -6.525 1.00 0.00 N ATOM 1636 CA ASN A 118 -5.140 9.030 -6.054 1.00 0.00 C ATOM 1637 C ASN A 118 -4.838 9.160 -4.571 1.00 0.00 C ATOM 1638 O ASN A 118 -4.436 10.219 -4.091 1.00 0.00 O ATOM 1639 CB ASN A 118 -6.631 9.272 -6.312 1.00 0.00 C ATOM 1640 CG ASN A 118 -6.906 9.848 -7.690 1.00 0.00 C ATOM 1641 OD1 ASN A 118 -6.938 11.064 -7.869 1.00 0.00 O ATOM 1642 ND2 ASN A 118 -7.100 8.989 -8.670 1.00 0.00 N ATOM 0 H ASN A 118 -5.486 7.134 -6.890 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.578 9.783 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -7.171 8.331 -6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -7.020 9.953 -5.555 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.284 9.326 -9.615 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -7.066 7.987 -8.484 1.00 0.00 H new ATOM 1649 N GLY A 119 -5.015 8.062 -3.854 1.00 0.00 N ATOM 1650 CA GLY A 119 -4.727 8.037 -2.440 1.00 0.00 C ATOM 1651 C GLY A 119 -3.270 7.701 -2.155 1.00 0.00 C ATOM 1652 O GLY A 119 -2.783 7.920 -1.052 1.00 0.00 O ATOM 0 H GLY A 119 -5.357 7.179 -4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -4.966 9.008 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -5.369 7.303 -1.953 1.00 0.00 H new ATOM 1656 N VAL A 120 -2.589 7.140 -3.141 1.00 0.00 N ATOM 1657 CA VAL A 120 -1.179 6.775 -2.993 1.00 0.00 C ATOM 1658 C VAL A 120 -0.230 7.950 -3.289 1.00 0.00 C ATOM 1659 O VAL A 120 0.723 8.188 -2.541 1.00 0.00 O ATOM 1660 CB VAL A 120 -0.796 5.586 -3.913 1.00 0.00 C ATOM 1661 CG1 VAL A 120 0.689 5.292 -3.823 1.00 0.00 C ATOM 1662 CG2 VAL A 120 -1.605 4.344 -3.563 1.00 0.00 C ATOM 0 H VAL A 120 -2.986 6.925 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.062 6.485 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.030 5.869 -4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.934 4.455 -4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 120 1.253 6.172 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.948 5.038 -2.795 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.318 3.525 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.410 4.062 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.667 4.555 -3.688 1.00 0.00 H new ATOM 1672 N SER A 121 -0.518 8.677 -4.361 1.00 0.00 N ATOM 1673 CA SER A 121 0.359 9.734 -4.878 1.00 0.00 C ATOM 1674 C SER A 121 0.777 10.778 -3.832 1.00 0.00 C ATOM 1675 O SER A 121 1.956 10.916 -3.534 1.00 0.00 O ATOM 1676 CB SER A 121 -0.312 10.414 -6.064 1.00 0.00 C ATOM 1677 OG SER A 121 -1.661 10.732 -5.761 1.00 0.00 O ATOM 0 H SER A 121 -1.372 8.553 -4.904 1.00 0.00 H new ATOM 0 HA SER A 121 1.283 9.244 -5.185 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.232 11.322 -6.324 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.274 9.759 -6.935 1.00 0.00 H new ATOM 0 HG SER A 121 -2.226 9.948 -5.923 1.00 0.00 H new ATOM 1683 N SER A 122 -0.174 11.492 -3.273 1.00 0.00 N ATOM 1684 CA SER A 122 0.150 12.539 -2.320 1.00 0.00 C ATOM 1685 C SER A 122 0.528 11.949 -0.963 1.00 0.00 C ATOM 1686 O SER A 122 1.255 12.572 -0.181 1.00 0.00 O ATOM 1687 CB SER A 122 -1.021 13.527 -2.180 1.00 0.00 C ATOM 1688 OG SER A 122 -0.673 14.636 -1.358 1.00 0.00 O ATOM 0 H SER A 122 -1.170 11.372 -3.457 1.00 0.00 H new ATOM 0 HA SER A 122 1.014 13.084 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.318 13.883 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.883 13.013 -1.754 1.00 0.00 H new ATOM 0 HG SER A 122 -1.437 15.246 -1.290 1.00 0.00 H new ATOM 1694 N ALA A 123 0.059 10.744 -0.698 1.00 0.00 N ATOM 1695 CA ALA A 123 0.315 10.103 0.570 1.00 0.00 C ATOM 1696 C ALA A 123 1.681 9.394 0.606 1.00 0.00 C ATOM 1697 O ALA A 123 2.660 9.940 1.121 1.00 0.00 O ATOM 1698 CB ALA A 123 -0.815 9.139 0.917 1.00 0.00 C ATOM 0 H ALA A 123 -0.501 10.192 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 123 0.352 10.886 1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -0.607 8.664 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.755 9.688 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.892 8.375 0.143 1.00 0.00 H new ATOM 1704 N ALA A 124 1.750 8.195 0.035 1.00 0.00 N ATOM 1705 CA ALA A 124 2.968 7.378 0.110 1.00 0.00 C ATOM 1706 C ALA A 124 4.074 7.924 -0.761 1.00 0.00 C ATOM 1707 O ALA A 124 5.221 7.998 -0.335 1.00 0.00 O ATOM 1708 CB ALA A 124 2.675 5.935 -0.260 1.00 0.00 C ATOM 0 H ALA A 124 0.984 7.765 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 124 3.312 7.417 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.592 5.350 -0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 124 1.936 5.526 0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.286 5.892 -1.277 1.00 0.00 H new ATOM 1714 N GLN A 125 3.736 8.301 -1.972 1.00 0.00 N ATOM 1715 CA GLN A 125 4.719 8.831 -2.891 1.00 0.00 C ATOM 1716 C GLN A 125 5.162 10.222 -2.441 1.00 0.00 C ATOM 1717 O GLN A 125 6.323 10.598 -2.581 1.00 0.00 O ATOM 1718 CB GLN A 125 4.136 8.892 -4.303 1.00 0.00 C ATOM 1719 CG GLN A 125 5.144 9.274 -5.369 1.00 0.00 C ATOM 1720 CD GLN A 125 4.498 9.581 -6.704 1.00 0.00 C ATOM 1721 OE1 GLN A 125 3.441 9.048 -7.040 1.00 0.00 O ATOM 1722 NE2 GLN A 125 5.126 10.447 -7.472 1.00 0.00 N ATOM 0 H GLN A 125 2.788 8.251 -2.345 1.00 0.00 H new ATOM 0 HA GLN A 125 5.588 8.173 -2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.710 7.920 -4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.317 9.612 -4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 125 5.708 10.145 -5.034 1.00 0.00 H new ATOM 0 HG3 GLN A 125 5.859 8.461 -5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 125 6.001 10.867 -7.157 1.00 0.00 H new ATOM 0 HE22 GLN A 125 4.738 10.698 -8.381 1.00 0.00 H new ATOM 1731 N GLY A 126 4.225 10.965 -1.875 1.00 0.00 N ATOM 1732 CA GLY A 126 4.500 12.313 -1.443 1.00 0.00 C ATOM 1733 C GLY A 126 5.312 12.399 -0.160 1.00 0.00 C ATOM 1734 O GLY A 126 6.439 12.905 -0.166 1.00 0.00 O ATOM 0 H GLY A 126 3.269 10.652 -1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 126 5.036 12.835 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.555 12.837 -1.298 1.00 0.00 H new ATOM 1738 N LEU A 127 4.758 11.902 0.939 1.00 0.00 N ATOM 1739 CA LEU A 127 5.420 12.033 2.237 1.00 0.00 C ATOM 1740 C LEU A 127 5.967 10.710 2.743 1.00 0.00 C ATOM 1741 O LEU A 127 6.893 10.686 3.555 1.00 0.00 O ATOM 1742 CB LEU A 127 4.457 12.617 3.272 1.00 0.00 C ATOM 1743 CG LEU A 127 3.885 14.001 2.952 1.00 0.00 C ATOM 1744 CD1 LEU A 127 2.963 14.463 4.068 1.00 0.00 C ATOM 1745 CD2 LEU A 127 5.007 15.012 2.730 1.00 0.00 C ATOM 0 H LEU A 127 3.864 11.411 0.962 1.00 0.00 H new ATOM 0 HA LEU A 127 6.263 12.709 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 127 3.626 11.923 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 127 4.974 12.672 4.230 1.00 0.00 H new ATOM 0 HG LEU A 127 3.306 13.929 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 127 2.564 15.448 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 127 2.141 13.756 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 127 3.522 14.517 5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 127 4.578 15.988 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 127 5.616 15.083 3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 127 5.629 14.688 1.896 1.00 0.00 H new ATOM 1757 N GLY A 128 5.402 9.620 2.280 1.00 0.00 N ATOM 1758 CA GLY A 128 5.856 8.328 2.731 1.00 0.00 C ATOM 1759 C GLY A 128 5.075 7.882 3.931 1.00 0.00 C ATOM 1760 O GLY A 128 5.359 8.287 5.058 1.00 0.00 O ATOM 0 H GLY A 128 4.640 9.601 1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 128 5.748 7.598 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 128 6.917 8.375 2.978 1.00 0.00 H new ATOM 1764 N ILE A 129 4.079 7.068 3.692 1.00 0.00 N ATOM 1765 CA ILE A 129 3.193 6.619 4.744 1.00 0.00 C ATOM 1766 C ILE A 129 3.779 5.467 5.534 1.00 0.00 C ATOM 1767 O ILE A 129 4.345 4.524 4.976 1.00 0.00 O ATOM 1768 CB ILE A 129 1.789 6.255 4.181 1.00 0.00 C ATOM 1769 CG1 ILE A 129 0.834 7.447 4.288 1.00 0.00 C ATOM 1770 CG2 ILE A 129 1.194 5.040 4.880 1.00 0.00 C ATOM 1771 CD1 ILE A 129 1.402 8.750 3.807 1.00 0.00 C ATOM 0 H ILE A 129 3.857 6.697 2.768 1.00 0.00 H new ATOM 0 HA ILE A 129 3.075 7.453 5.436 1.00 0.00 H new ATOM 0 HB ILE A 129 1.921 6.002 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -0.067 7.226 3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 129 0.531 7.560 5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.214 4.820 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 129 1.851 4.181 4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 129 1.091 5.247 5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 129 0.656 9.536 3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 129 2.286 9.001 4.394 1.00 0.00 H new ATOM 0 HD13 ILE A 129 1.678 8.661 2.756 1.00 0.00 H new ATOM 1783 N ASN A 130 3.626 5.562 6.831 1.00 0.00 N ATOM 1784 CA ASN A 130 4.104 4.555 7.752 1.00 0.00 C ATOM 1785 C ASN A 130 3.045 4.253 8.787 1.00 0.00 C ATOM 1786 O ASN A 130 2.380 5.158 9.289 1.00 0.00 O ATOM 1787 CB ASN A 130 5.393 5.009 8.452 1.00 0.00 C ATOM 1788 CG ASN A 130 6.625 4.893 7.571 1.00 0.00 C ATOM 1789 OD1 ASN A 130 7.264 3.840 7.519 1.00 0.00 O ATOM 1790 ND2 ASN A 130 6.976 5.970 6.887 1.00 0.00 N ATOM 0 H ASN A 130 3.161 6.349 7.285 1.00 0.00 H new ATOM 0 HA ASN A 130 4.322 3.654 7.179 1.00 0.00 H new ATOM 0 HB2 ASN A 130 5.279 6.045 8.772 1.00 0.00 H new ATOM 0 HB3 ASN A 130 5.540 4.411 9.352 1.00 0.00 H new ATOM 0 HD21 ASN A 130 7.802 5.948 6.289 1.00 0.00 H new ATOM 0 HD22 ASN A 130 6.420 6.822 6.957 1.00 0.00 H new ATOM 1797 N VAL A 131 2.868 2.983 9.084 1.00 0.00 N ATOM 1798 CA VAL A 131 1.919 2.564 10.092 1.00 0.00 C ATOM 1799 C VAL A 131 2.548 2.728 11.477 1.00 0.00 C ATOM 1800 O VAL A 131 3.779 2.734 11.605 1.00 0.00 O ATOM 1801 CB VAL A 131 1.486 1.089 9.876 1.00 0.00 C ATOM 1802 CG1 VAL A 131 0.373 0.687 10.840 1.00 0.00 C ATOM 1803 CG2 VAL A 131 1.047 0.870 8.437 1.00 0.00 C ATOM 0 H VAL A 131 3.374 2.218 8.637 1.00 0.00 H new ATOM 0 HA VAL A 131 1.029 3.189 10.014 1.00 0.00 H new ATOM 0 HB VAL A 131 2.349 0.455 10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.094 -0.351 10.661 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.723 0.797 11.866 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.494 1.328 10.682 1.00 0.00 H new ATOM 0 HG21 VAL A 131 0.747 -0.169 8.302 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.205 1.524 8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.875 1.098 7.765 1.00 0.00 H new ATOM 1813 N ASP A 132 1.712 2.863 12.500 1.00 0.00 N ATOM 1814 CA ASP A 132 2.184 3.059 13.867 1.00 0.00 C ATOM 1815 C ASP A 132 3.046 1.874 14.333 1.00 0.00 C ATOM 1816 O ASP A 132 3.092 0.820 13.675 1.00 0.00 O ATOM 1817 CB ASP A 132 0.999 3.278 14.813 1.00 0.00 C ATOM 1818 CG ASP A 132 1.424 3.755 16.185 1.00 0.00 C ATOM 1819 OD1 ASP A 132 1.835 4.925 16.312 1.00 0.00 O ATOM 1820 OD2 ASP A 132 1.352 2.967 17.136 1.00 0.00 O ATOM 0 H ASP A 132 0.696 2.840 12.408 1.00 0.00 H new ATOM 0 HA ASP A 132 2.811 3.950 13.886 1.00 0.00 H new ATOM 0 HB2 ASP A 132 0.320 4.008 14.374 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.443 2.346 14.914 1.00 0.00 H new ATOM 1825 N SER A 133 3.707 2.041 15.465 1.00 0.00 N ATOM 1826 CA SER A 133 4.644 1.056 15.986 1.00 0.00 C ATOM 1827 C SER A 133 3.950 -0.183 16.582 1.00 0.00 C ATOM 1828 O SER A 133 4.389 -0.717 17.599 1.00 0.00 O ATOM 1829 CB SER A 133 5.524 1.713 17.039 1.00 0.00 C ATOM 1830 OG SER A 133 5.929 3.011 16.623 1.00 0.00 O ATOM 0 H SER A 133 3.609 2.868 16.054 1.00 0.00 H new ATOM 0 HA SER A 133 5.244 0.703 15.147 1.00 0.00 H new ATOM 0 HB2 SER A 133 4.981 1.782 17.981 1.00 0.00 H new ATOM 0 HB3 SER A 133 6.403 1.095 17.222 1.00 0.00 H new ATOM 0 HG SER A 133 5.933 3.054 15.644 1.00 0.00 H new ATOM 1836 N GLY A 134 2.891 -0.641 15.942 1.00 0.00 N ATOM 1837 CA GLY A 134 2.240 -1.849 16.386 1.00 0.00 C ATOM 1838 C GLY A 134 3.040 -3.064 15.968 1.00 0.00 C ATOM 1839 O GLY A 134 3.962 -3.479 16.663 1.00 0.00 O ATOM 0 H GLY A 134 2.471 -0.199 15.124 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.131 -1.833 17.470 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.236 -1.904 15.965 1.00 0.00 H new ATOM 1843 N SER A 135 2.697 -3.626 14.836 1.00 0.00 N ATOM 1844 CA SER A 135 3.441 -4.750 14.302 1.00 0.00 C ATOM 1845 C SER A 135 4.283 -4.308 13.111 1.00 0.00 C ATOM 1846 O SER A 135 5.458 -4.638 13.015 1.00 0.00 O ATOM 1847 CB SER A 135 2.483 -5.877 13.888 1.00 0.00 C ATOM 1848 OG SER A 135 3.184 -7.004 13.371 1.00 0.00 O ATOM 0 H SER A 135 1.908 -3.327 14.263 1.00 0.00 H new ATOM 0 HA SER A 135 4.106 -5.127 15.079 1.00 0.00 H new ATOM 0 HB2 SER A 135 1.888 -6.183 14.749 1.00 0.00 H new ATOM 0 HB3 SER A 135 1.788 -5.505 13.136 1.00 0.00 H new ATOM 0 HG SER A 135 4.140 -6.796 13.311 1.00 0.00 H new ATOM 1854 N VAL A 136 3.675 -3.501 12.246 1.00 0.00 N ATOM 1855 CA VAL A 136 4.280 -3.080 10.983 1.00 0.00 C ATOM 1856 C VAL A 136 5.670 -2.501 11.172 1.00 0.00 C ATOM 1857 O VAL A 136 6.653 -3.047 10.673 1.00 0.00 O ATOM 1858 CB VAL A 136 3.403 -2.023 10.290 1.00 0.00 C ATOM 1859 CG1 VAL A 136 3.984 -1.637 8.940 1.00 0.00 C ATOM 1860 CG2 VAL A 136 1.979 -2.524 10.151 1.00 0.00 C ATOM 0 H VAL A 136 2.743 -3.118 12.401 1.00 0.00 H new ATOM 0 HA VAL A 136 4.358 -3.975 10.366 1.00 0.00 H new ATOM 0 HB VAL A 136 3.388 -1.127 10.911 1.00 0.00 H new ATOM 0 HG11 VAL A 136 3.346 -0.889 8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.984 -1.226 9.078 1.00 0.00 H new ATOM 0 HG13 VAL A 136 4.039 -2.519 8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.372 -1.764 9.659 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.971 -3.437 9.555 1.00 0.00 H new ATOM 0 HG23 VAL A 136 1.568 -2.732 11.139 1.00 0.00 H new ATOM 1870 N GLN A 137 5.739 -1.407 11.905 1.00 0.00 N ATOM 1871 CA GLN A 137 6.982 -0.693 12.109 1.00 0.00 C ATOM 1872 C GLN A 137 8.040 -1.579 12.760 1.00 0.00 C ATOM 1873 O GLN A 137 9.209 -1.500 12.418 1.00 0.00 O ATOM 1874 CB GLN A 137 6.730 0.536 12.950 1.00 0.00 C ATOM 1875 CG GLN A 137 7.851 1.551 12.917 1.00 0.00 C ATOM 1876 CD GLN A 137 7.483 2.835 13.623 1.00 0.00 C ATOM 1877 OE1 GLN A 137 6.209 3.192 13.586 1.00 0.00 O flip ATOM 1878 NE2 GLN A 137 8.336 3.504 14.193 1.00 0.00 N flip ATOM 0 H GLN A 137 4.936 -0.989 12.375 1.00 0.00 H new ATOM 0 HA GLN A 137 7.366 -0.392 11.134 1.00 0.00 H new ATOM 0 HB2 GLN A 137 5.812 1.014 12.608 1.00 0.00 H new ATOM 0 HB3 GLN A 137 6.564 0.228 13.982 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.739 1.124 13.384 1.00 0.00 H new ATOM 0 HG3 GLN A 137 8.110 1.770 11.881 1.00 0.00 H new ATOM 0 HE21 GLN A 137 9.308 3.194 14.199 1.00 0.00 H new ATOM 0 HE22 GLN A 137 8.075 4.371 14.662 1.00 0.00 H new ATOM 1887 N SER A 138 7.617 -2.429 13.679 1.00 0.00 N ATOM 1888 CA SER A 138 8.531 -3.323 14.368 1.00 0.00 C ATOM 1889 C SER A 138 9.129 -4.342 13.396 1.00 0.00 C ATOM 1890 O SER A 138 10.347 -4.537 13.352 1.00 0.00 O ATOM 1891 CB SER A 138 7.798 -4.035 15.498 1.00 0.00 C ATOM 1892 OG SER A 138 7.145 -3.098 16.339 1.00 0.00 O ATOM 0 H SER A 138 6.642 -2.519 13.966 1.00 0.00 H new ATOM 0 HA SER A 138 9.348 -2.735 14.786 1.00 0.00 H new ATOM 0 HB2 SER A 138 7.068 -4.730 15.084 1.00 0.00 H new ATOM 0 HB3 SER A 138 8.504 -4.625 16.082 1.00 0.00 H new ATOM 0 HG SER A 138 6.186 -3.298 16.369 1.00 0.00 H new ATOM 1898 N ASP A 139 8.265 -4.966 12.602 1.00 0.00 N ATOM 1899 CA ASP A 139 8.690 -5.969 11.632 1.00 0.00 C ATOM 1900 C ASP A 139 9.597 -5.369 10.567 1.00 0.00 C ATOM 1901 O ASP A 139 10.624 -5.953 10.210 1.00 0.00 O ATOM 1902 CB ASP A 139 7.479 -6.631 10.958 1.00 0.00 C ATOM 1903 CG ASP A 139 6.777 -7.647 11.842 1.00 0.00 C ATOM 1904 OD1 ASP A 139 7.198 -8.826 11.856 1.00 0.00 O ATOM 1905 OD2 ASP A 139 5.784 -7.287 12.511 1.00 0.00 O ATOM 0 H ASP A 139 7.260 -4.793 12.612 1.00 0.00 H new ATOM 0 HA ASP A 139 9.252 -6.724 12.182 1.00 0.00 H new ATOM 0 HB2 ASP A 139 6.766 -5.859 10.669 1.00 0.00 H new ATOM 0 HB3 ASP A 139 7.806 -7.122 10.042 1.00 0.00 H new ATOM 1910 N ILE A 140 9.227 -4.201 10.059 1.00 0.00 N ATOM 1911 CA ILE A 140 10.000 -3.570 8.998 1.00 0.00 C ATOM 1912 C ILE A 140 11.284 -2.931 9.520 1.00 0.00 C ATOM 1913 O ILE A 140 12.270 -2.871 8.803 1.00 0.00 O ATOM 1914 CB ILE A 140 9.182 -2.518 8.201 1.00 0.00 C ATOM 1915 CG1 ILE A 140 8.769 -1.347 9.098 1.00 0.00 C ATOM 1916 CG2 ILE A 140 7.959 -3.170 7.567 1.00 0.00 C ATOM 1917 CD1 ILE A 140 8.071 -0.222 8.360 1.00 0.00 C ATOM 0 H ILE A 140 8.406 -3.676 10.360 1.00 0.00 H new ATOM 0 HA ILE A 140 10.264 -4.380 8.318 1.00 0.00 H new ATOM 0 HB ILE A 140 9.816 -2.122 7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 140 8.109 -1.718 9.882 1.00 0.00 H new ATOM 0 HG13 ILE A 140 9.656 -0.949 9.590 1.00 0.00 H new ATOM 0 HG21 ILE A 140 7.394 -2.421 7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 140 8.279 -3.961 6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 140 7.328 -3.595 8.347 1.00 0.00 H new ATOM 0 HD11 ILE A 140 7.811 0.568 9.064 1.00 0.00 H new ATOM 0 HD12 ILE A 140 8.736 0.178 7.594 1.00 0.00 H new ATOM 0 HD13 ILE A 140 7.164 -0.603 7.890 1.00 0.00 H new ATOM 1929 N SER A 141 11.274 -2.476 10.770 1.00 0.00 N ATOM 1930 CA SER A 141 12.443 -1.819 11.359 1.00 0.00 C ATOM 1931 C SER A 141 13.677 -2.718 11.295 1.00 0.00 C ATOM 1932 O SER A 141 14.757 -2.281 10.902 1.00 0.00 O ATOM 1933 CB SER A 141 12.160 -1.416 12.813 1.00 0.00 C ATOM 1934 OG SER A 141 13.218 -0.640 13.347 1.00 0.00 O ATOM 0 H SER A 141 10.472 -2.549 11.396 1.00 0.00 H new ATOM 0 HA SER A 141 12.646 -0.921 10.776 1.00 0.00 H new ATOM 0 HB2 SER A 141 11.230 -0.849 12.861 1.00 0.00 H new ATOM 0 HB3 SER A 141 12.020 -2.310 13.420 1.00 0.00 H new ATOM 0 HG SER A 141 13.010 -0.396 14.273 1.00 0.00 H new ATOM 1940 N SER A 142 13.504 -3.972 11.656 1.00 0.00 N ATOM 1941 CA SER A 142 14.598 -4.920 11.659 1.00 0.00 C ATOM 1942 C SER A 142 14.848 -5.488 10.258 1.00 0.00 C ATOM 1943 O SER A 142 15.989 -5.598 9.815 1.00 0.00 O ATOM 1944 CB SER A 142 14.284 -6.042 12.640 1.00 0.00 C ATOM 1945 OG SER A 142 12.966 -6.527 12.431 1.00 0.00 O ATOM 0 H SER A 142 12.609 -4.361 11.953 1.00 0.00 H new ATOM 0 HA SER A 142 15.507 -4.405 11.969 1.00 0.00 H new ATOM 0 HB2 SER A 142 15.001 -6.854 12.516 1.00 0.00 H new ATOM 0 HB3 SER A 142 14.387 -5.679 13.663 1.00 0.00 H new ATOM 0 HG SER A 142 12.778 -7.249 13.067 1.00 0.00 H new ATOM 1951 N SER A 143 13.771 -5.817 9.560 1.00 0.00 N ATOM 1952 CA SER A 143 13.852 -6.433 8.235 1.00 0.00 C ATOM 1953 C SER A 143 14.391 -5.471 7.156 1.00 0.00 C ATOM 1954 O SER A 143 14.843 -5.903 6.106 1.00 0.00 O ATOM 1955 CB SER A 143 12.487 -6.975 7.832 1.00 0.00 C ATOM 1956 OG SER A 143 12.007 -7.905 8.795 1.00 0.00 O ATOM 0 H SER A 143 12.818 -5.667 9.891 1.00 0.00 H new ATOM 0 HA SER A 143 14.568 -7.252 8.305 1.00 0.00 H new ATOM 0 HB2 SER A 143 11.780 -6.152 7.731 1.00 0.00 H new ATOM 0 HB3 SER A 143 12.556 -7.458 6.857 1.00 0.00 H new ATOM 0 HG SER A 143 11.454 -7.437 9.455 1.00 0.00 H new ATOM 1962 N SER A 144 14.323 -4.178 7.416 1.00 0.00 N ATOM 1963 CA SER A 144 14.808 -3.182 6.468 1.00 0.00 C ATOM 1964 C SER A 144 16.337 -3.175 6.369 1.00 0.00 C ATOM 1965 O SER A 144 16.895 -2.603 5.444 1.00 0.00 O ATOM 1966 CB SER A 144 14.263 -1.792 6.790 1.00 0.00 C ATOM 1967 OG SER A 144 14.481 -1.456 8.147 1.00 0.00 O ATOM 0 H SER A 144 13.937 -3.789 8.276 1.00 0.00 H new ATOM 0 HA SER A 144 14.428 -3.467 5.487 1.00 0.00 H new ATOM 0 HB2 SER A 144 14.743 -1.053 6.149 1.00 0.00 H new ATOM 0 HB3 SER A 144 13.196 -1.758 6.572 1.00 0.00 H new ATOM 0 HG SER A 144 13.778 -1.857 8.700 1.00 0.00 H new