USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 847 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 22 ASN : amide:sc= 0.403 K(o=-0.79,f=-1.6) USER MOD Set 1.2: A 109 SER OG : rot -8:sc= -1.19! USER MOD Set 2.1: A 25 SER OG : rot -160:sc= -0.469 USER MOD Set 2.2: A 28 THR OG1 : rot -80:sc= 0.151 USER MOD Set 3.1: A 12 HIS : no HD1:sc= 0.291 K(o=-4.5,f=-15!) USER MOD Set 3.2: A 66 SER OG : rot -52:sc= 1.23 USER MOD Set 3.3: A 68 CYS SG : rot -108:sc= -2.95! USER MOD Set 3.4: A 70 SER OG : rot 152:sc= 0.0211 USER MOD Set 3.5: A 107 THR OG1 : rot 160:sc= -0.133 USER MOD Set 3.6: A 112 HIS : no HD1:sc= -2.98! C(o=-4.5!,f=-4.5!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 137:sc= -0.0798 (180deg=-1.65!) USER MOD Single : A 18 SER OG : rot -68:sc= 1.18 USER MOD Single : A 20 SER OG : rot -74:sc= 1.46 USER MOD Single : A 31 SER OG : rot -23:sc= 0.489 USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.342 USER MOD Single : A 36 THR OG1 : rot -88:sc= 1.48 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= -0.0285 (180deg=-0.31) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.038 F(o=-2.1!,f=-0.038) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0654) USER MOD Single : A 48 SER OG : rot -65:sc= 0.0954 USER MOD Single : A 49 GLN : amide:sc= 0.00969 X(o=0.0097,f=0) USER MOD Single : A 53 SER OG : rot 179:sc= -0.589 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 91:sc= 0.093 USER MOD Single : A 64 GLN : amide:sc= 1.15 K(o=1.1,f=-0.016) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc=-0.00811 USER MOD Single : A 85 MET CE :methyl -153:sc= -0.472 (180deg=-1.64) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= -0.0847 (180deg=-0.407) USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= -0.0202 (180deg=-0.161) USER MOD Single : A 102 SER OG : rot 69:sc= -0.35! USER MOD Single : A 106 GLN : amide:sc= -2.28 X(o=-2.3,f=-2.8!) USER MOD Single : A 115 LYS NZ :NH3+ -123:sc= 0.292 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 7 -19.311 -4.320 -2.279 1.00 0.57 N ATOM 47 CA LYS A 7 -18.421 -3.689 -3.235 1.00 0.51 C ATOM 48 C LYS A 7 -17.612 -2.602 -2.552 1.00 0.42 C ATOM 49 O LYS A 7 -18.143 -1.794 -1.786 1.00 0.60 O ATOM 50 CB LYS A 7 -19.205 -3.101 -4.400 1.00 0.64 C ATOM 51 CG LYS A 7 -18.492 -3.217 -5.741 1.00 0.92 C ATOM 52 CD LYS A 7 -18.364 -4.670 -6.182 1.00 0.87 C ATOM 53 CE LYS A 7 -17.698 -4.787 -7.544 1.00 1.10 C ATOM 54 NZ LYS A 7 -17.591 -6.198 -7.994 1.00 1.19 N ATOM 0 HA LYS A 7 -17.744 -4.448 -3.626 1.00 0.51 H new ATOM 0 HB2 LYS A 7 -20.170 -3.604 -4.467 1.00 0.64 H new ATOM 0 HB3 LYS A 7 -19.407 -2.049 -4.196 1.00 0.64 H new ATOM 0 HG2 LYS A 7 -19.041 -2.654 -6.496 1.00 0.92 H new ATOM 0 HG3 LYS A 7 -17.501 -2.769 -5.667 1.00 0.92 H new ATOM 0 HD2 LYS A 7 -17.784 -5.225 -5.444 1.00 0.87 H new ATOM 0 HD3 LYS A 7 -19.353 -5.127 -6.220 1.00 0.87 H new ATOM 0 HE2 LYS A 7 -18.268 -4.216 -8.276 1.00 1.10 H new ATOM 0 HE3 LYS A 7 -16.703 -4.345 -7.500 1.00 1.10 H new ATOM 0 HZ1 LYS A 7 -17.131 -6.231 -8.926 1.00 1.19 H new ATOM 0 HZ2 LYS A 7 -17.025 -6.739 -7.309 1.00 1.19 H new ATOM 0 HZ3 LYS A 7 -18.542 -6.614 -8.062 1.00 1.19 H new ATOM 68 N LEU A 8 -16.331 -2.607 -2.828 1.00 0.33 N ATOM 69 CA LEU A 8 -15.399 -1.681 -2.228 1.00 0.26 C ATOM 70 C LEU A 8 -14.419 -1.221 -3.299 1.00 0.22 C ATOM 71 O LEU A 8 -14.239 -1.896 -4.313 1.00 0.22 O ATOM 72 CB LEU A 8 -14.677 -2.384 -1.065 1.00 0.25 C ATOM 73 CG LEU A 8 -14.182 -1.490 0.083 1.00 0.33 C ATOM 74 CD1 LEU A 8 -13.915 -2.327 1.323 1.00 1.18 C ATOM 75 CD2 LEU A 8 -12.919 -0.747 -0.306 1.00 0.81 C ATOM 0 H LEU A 8 -15.900 -3.260 -3.482 1.00 0.33 H new ATOM 0 HA LEU A 8 -15.913 -0.806 -1.829 1.00 0.26 H new ATOM 0 HB2 LEU A 8 -15.352 -3.131 -0.647 1.00 0.25 H new ATOM 0 HB3 LEU A 8 -13.820 -2.921 -1.472 1.00 0.25 H new ATOM 0 HG LEU A 8 -14.963 -0.760 0.296 1.00 0.33 H new ATOM 0 HD11 LEU A 8 -13.565 -1.682 2.129 1.00 1.18 H new ATOM 0 HD12 LEU A 8 -14.834 -2.825 1.630 1.00 1.18 H new ATOM 0 HD13 LEU A 8 -13.154 -3.075 1.100 1.00 1.18 H new ATOM 0 HD21 LEU A 8 -12.593 -0.123 0.526 1.00 0.81 H new ATOM 0 HD22 LEU A 8 -12.136 -1.464 -0.550 1.00 0.81 H new ATOM 0 HD23 LEU A 8 -13.119 -0.119 -1.174 1.00 0.81 H new ATOM 87 N ARG A 9 -13.837 -0.062 -3.094 1.00 0.24 N ATOM 88 CA ARG A 9 -12.780 0.447 -3.948 1.00 0.23 C ATOM 89 C ARG A 9 -11.735 1.099 -3.069 1.00 0.20 C ATOM 90 O ARG A 9 -12.073 1.921 -2.218 1.00 0.21 O ATOM 91 CB ARG A 9 -13.316 1.464 -4.960 1.00 0.25 C ATOM 92 CG ARG A 9 -12.214 2.140 -5.762 1.00 0.26 C ATOM 93 CD ARG A 9 -12.746 3.264 -6.633 1.00 0.34 C ATOM 94 NE ARG A 9 -11.675 4.170 -7.047 1.00 0.49 N ATOM 95 CZ ARG A 9 -11.860 5.435 -7.416 1.00 0.81 C ATOM 96 NH1 ARG A 9 -13.081 5.950 -7.474 1.00 1.06 N ATOM 97 NH2 ARG A 9 -10.813 6.183 -7.726 1.00 0.98 N ATOM 0 H ARG A 9 -14.083 0.561 -2.325 1.00 0.24 H new ATOM 0 HA ARG A 9 -12.349 -0.380 -4.513 1.00 0.23 H new ATOM 0 HB2 ARG A 9 -14.000 0.962 -5.644 1.00 0.25 H new ATOM 0 HB3 ARG A 9 -13.893 2.224 -4.433 1.00 0.25 H new ATOM 0 HG2 ARG A 9 -11.461 2.536 -5.080 1.00 0.26 H new ATOM 0 HG3 ARG A 9 -11.718 1.400 -6.390 1.00 0.26 H new ATOM 0 HD2 ARG A 9 -13.231 2.845 -7.514 1.00 0.34 H new ATOM 0 HD3 ARG A 9 -13.506 3.822 -6.086 1.00 0.34 H new ATOM 0 HE ARG A 9 -10.722 3.808 -7.053 1.00 0.49 H new ATOM 0 HH11 ARG A 9 -13.889 5.375 -7.235 1.00 1.06 H new ATOM 0 HH12 ARG A 9 -13.212 6.921 -7.758 1.00 1.06 H new ATOM 0 HH21 ARG A 9 -9.873 5.789 -7.681 1.00 0.98 H new ATOM 0 HH22 ARG A 9 -10.946 7.154 -8.010 1.00 0.98 H new ATOM 111 N ALA A 10 -10.482 0.726 -3.238 1.00 0.20 N ATOM 112 CA ALA A 10 -9.436 1.262 -2.389 1.00 0.17 C ATOM 113 C ALA A 10 -8.123 1.428 -3.139 1.00 0.16 C ATOM 114 O ALA A 10 -7.817 0.673 -4.060 1.00 0.17 O ATOM 115 CB ALA A 10 -9.244 0.365 -1.176 1.00 0.22 C ATOM 0 H ALA A 10 -10.166 0.063 -3.945 1.00 0.20 H new ATOM 0 HA ALA A 10 -9.748 2.254 -2.061 1.00 0.17 H new ATOM 0 HB1 ALA A 10 -8.457 0.773 -0.542 1.00 0.22 H new ATOM 0 HB2 ALA A 10 -10.175 0.313 -0.611 1.00 0.22 H new ATOM 0 HB3 ALA A 10 -8.963 -0.636 -1.504 1.00 0.22 H new ATOM 121 N ALA A 11 -7.359 2.428 -2.732 1.00 0.17 N ATOM 122 CA ALA A 11 -6.042 2.675 -3.297 1.00 0.18 C ATOM 123 C ALA A 11 -4.981 2.171 -2.334 1.00 0.17 C ATOM 124 O ALA A 11 -5.090 2.381 -1.127 1.00 0.19 O ATOM 125 CB ALA A 11 -5.847 4.157 -3.583 1.00 0.20 C ATOM 0 H ALA A 11 -7.632 3.089 -2.004 1.00 0.17 H new ATOM 0 HA ALA A 11 -5.953 2.140 -4.243 1.00 0.18 H new ATOM 0 HB1 ALA A 11 -4.855 4.319 -4.005 1.00 0.20 H new ATOM 0 HB2 ALA A 11 -6.603 4.493 -4.293 1.00 0.20 H new ATOM 0 HB3 ALA A 11 -5.943 4.722 -2.656 1.00 0.20 H new ATOM 131 N HIS A 12 -3.960 1.509 -2.852 1.00 0.16 N ATOM 132 CA HIS A 12 -2.988 0.856 -1.985 1.00 0.16 C ATOM 133 C HIS A 12 -1.559 1.072 -2.470 1.00 0.15 C ATOM 134 O HIS A 12 -1.313 1.250 -3.663 1.00 0.19 O ATOM 135 CB HIS A 12 -3.286 -0.645 -1.878 1.00 0.17 C ATOM 136 CG HIS A 12 -2.851 -1.464 -3.060 1.00 0.15 C ATOM 137 ND1 HIS A 12 -3.475 -1.425 -4.283 1.00 0.23 N ATOM 138 CD2 HIS A 12 -1.846 -2.362 -3.186 1.00 0.22 C ATOM 139 CE1 HIS A 12 -2.874 -2.266 -5.105 1.00 0.23 C ATOM 140 NE2 HIS A 12 -1.884 -2.847 -4.465 1.00 0.21 N ATOM 0 H HIS A 12 -3.782 1.409 -3.851 1.00 0.16 H new ATOM 0 HA HIS A 12 -3.077 1.311 -0.998 1.00 0.16 H new ATOM 0 HB2 HIS A 12 -2.797 -1.035 -0.985 1.00 0.17 H new ATOM 0 HB3 HIS A 12 -4.359 -0.778 -1.738 1.00 0.17 H new ATOM 0 HD2 HIS A 12 -1.142 -2.644 -2.417 1.00 0.22 H new ATOM 0 HE1 HIS A 12 -3.150 -2.446 -6.133 1.00 0.23 H new ATOM 0 HE2 HIS A 12 -1.250 -3.543 -4.856 1.00 0.21 H new ATOM 149 N LEU A 13 -0.626 1.035 -1.533 1.00 0.15 N ATOM 150 CA LEU A 13 0.789 1.177 -1.838 1.00 0.14 C ATOM 151 C LEU A 13 1.516 -0.075 -1.354 1.00 0.16 C ATOM 152 O LEU A 13 1.088 -0.701 -0.385 1.00 0.24 O ATOM 153 CB LEU A 13 1.344 2.445 -1.161 1.00 0.15 C ATOM 154 CG LEU A 13 2.647 3.017 -1.742 1.00 0.15 C ATOM 155 CD1 LEU A 13 2.772 4.493 -1.405 1.00 0.16 C ATOM 156 CD2 LEU A 13 3.862 2.271 -1.217 1.00 0.18 C ATOM 0 H LEU A 13 -0.827 0.906 -0.541 1.00 0.15 H new ATOM 0 HA LEU A 13 0.941 1.282 -2.912 1.00 0.14 H new ATOM 0 HB2 LEU A 13 0.579 3.220 -1.209 1.00 0.15 H new ATOM 0 HB3 LEU A 13 1.508 2.225 -0.106 1.00 0.15 H new ATOM 0 HG LEU A 13 2.608 2.893 -2.824 1.00 0.15 H new ATOM 0 HD11 LEU A 13 3.700 4.884 -1.823 1.00 0.16 H new ATOM 0 HD12 LEU A 13 1.926 5.036 -1.827 1.00 0.16 H new ATOM 0 HD13 LEU A 13 2.780 4.620 -0.322 1.00 0.16 H new ATOM 0 HD21 LEU A 13 4.767 2.700 -1.647 1.00 0.18 H new ATOM 0 HD22 LEU A 13 3.901 2.357 -0.131 1.00 0.18 H new ATOM 0 HD23 LEU A 13 3.792 1.219 -1.495 1.00 0.18 H new ATOM 168 N LEU A 14 2.580 -0.454 -2.046 1.00 0.13 N ATOM 169 CA LEU A 14 3.354 -1.640 -1.696 1.00 0.14 C ATOM 170 C LEU A 14 4.838 -1.311 -1.656 1.00 0.16 C ATOM 171 O LEU A 14 5.356 -0.695 -2.576 1.00 0.27 O ATOM 172 CB LEU A 14 3.094 -2.756 -2.716 1.00 0.16 C ATOM 173 CG LEU A 14 4.053 -3.957 -2.658 1.00 0.20 C ATOM 174 CD1 LEU A 14 3.998 -4.651 -1.303 1.00 0.18 C ATOM 175 CD2 LEU A 14 3.721 -4.943 -3.762 1.00 0.27 C ATOM 0 H LEU A 14 2.931 0.047 -2.862 1.00 0.13 H new ATOM 0 HA LEU A 14 3.044 -1.980 -0.708 1.00 0.14 H new ATOM 0 HB2 LEU A 14 2.077 -3.121 -2.574 1.00 0.16 H new ATOM 0 HB3 LEU A 14 3.142 -2.326 -3.716 1.00 0.16 H new ATOM 0 HG LEU A 14 5.067 -3.582 -2.801 1.00 0.20 H new ATOM 0 HD11 LEU A 14 4.688 -5.495 -1.298 1.00 0.18 H new ATOM 0 HD12 LEU A 14 4.281 -3.946 -0.521 1.00 0.18 H new ATOM 0 HD13 LEU A 14 2.985 -5.010 -1.119 1.00 0.18 H new ATOM 0 HD21 LEU A 14 4.406 -5.789 -3.712 1.00 0.27 H new ATOM 0 HD22 LEU A 14 2.697 -5.297 -3.638 1.00 0.27 H new ATOM 0 HD23 LEU A 14 3.821 -4.452 -4.730 1.00 0.27 H new ATOM 187 N VAL A 15 5.505 -1.707 -0.585 1.00 0.13 N ATOM 188 CA VAL A 15 6.953 -1.580 -0.495 1.00 0.13 C ATOM 189 C VAL A 15 7.574 -2.959 -0.286 1.00 0.13 C ATOM 190 O VAL A 15 7.137 -3.723 0.581 1.00 0.15 O ATOM 191 CB VAL A 15 7.391 -0.635 0.653 1.00 0.13 C ATOM 192 CG1 VAL A 15 8.907 -0.530 0.716 1.00 0.13 C ATOM 193 CG2 VAL A 15 6.779 0.749 0.485 1.00 0.15 C ATOM 0 H VAL A 15 5.067 -2.121 0.238 1.00 0.13 H new ATOM 0 HA VAL A 15 7.303 -1.143 -1.430 1.00 0.13 H new ATOM 0 HB VAL A 15 7.030 -1.061 1.589 1.00 0.13 H new ATOM 0 HG11 VAL A 15 9.192 0.138 1.529 1.00 0.13 H new ATOM 0 HG12 VAL A 15 9.333 -1.518 0.892 1.00 0.13 H new ATOM 0 HG13 VAL A 15 9.284 -0.135 -0.227 1.00 0.13 H new ATOM 0 HG21 VAL A 15 7.103 1.392 1.304 1.00 0.15 H new ATOM 0 HG22 VAL A 15 7.104 1.178 -0.463 1.00 0.15 H new ATOM 0 HG23 VAL A 15 5.692 0.670 0.494 1.00 0.15 H new ATOM 203 N LYS A 16 8.560 -3.285 -1.103 1.00 0.15 N ATOM 204 CA LYS A 16 9.269 -4.549 -1.000 1.00 0.17 C ATOM 205 C LYS A 16 10.641 -4.341 -0.378 1.00 0.16 C ATOM 206 O LYS A 16 11.193 -3.243 -0.414 1.00 0.24 O ATOM 207 CB LYS A 16 9.419 -5.191 -2.383 1.00 0.23 C ATOM 208 CG LYS A 16 8.113 -5.674 -2.988 1.00 0.26 C ATOM 209 CD LYS A 16 7.592 -6.907 -2.271 1.00 0.37 C ATOM 210 CE LYS A 16 6.278 -7.384 -2.865 1.00 0.48 C ATOM 211 NZ LYS A 16 6.381 -7.655 -4.323 1.00 0.62 N ATOM 0 H LYS A 16 8.892 -2.682 -1.856 1.00 0.15 H new ATOM 0 HA LYS A 16 8.689 -5.215 -0.361 1.00 0.17 H new ATOM 0 HB2 LYS A 16 9.875 -4.468 -3.060 1.00 0.23 H new ATOM 0 HB3 LYS A 16 10.106 -6.034 -2.308 1.00 0.23 H new ATOM 0 HG2 LYS A 16 7.369 -4.879 -2.934 1.00 0.26 H new ATOM 0 HG3 LYS A 16 8.261 -5.901 -4.044 1.00 0.26 H new ATOM 0 HD2 LYS A 16 8.332 -7.705 -2.334 1.00 0.37 H new ATOM 0 HD3 LYS A 16 7.454 -6.683 -1.213 1.00 0.37 H new ATOM 0 HE2 LYS A 16 5.958 -8.291 -2.351 1.00 0.48 H new ATOM 0 HE3 LYS A 16 5.509 -6.631 -2.691 1.00 0.48 H new ATOM 0 HZ1 LYS A 16 5.885 -8.541 -4.547 1.00 0.62 H new ATOM 0 HZ2 LYS A 16 5.948 -6.872 -4.853 1.00 0.62 H new ATOM 0 HZ3 LYS A 16 7.382 -7.742 -4.590 1.00 0.62 H new ATOM 225 N PHE A 17 11.194 -5.407 0.172 1.00 0.17 N ATOM 226 CA PHE A 17 12.453 -5.335 0.895 1.00 0.17 C ATOM 227 C PHE A 17 13.197 -6.661 0.786 1.00 0.19 C ATOM 228 O PHE A 17 12.619 -7.669 0.388 1.00 0.21 O ATOM 229 CB PHE A 17 12.192 -4.966 2.363 1.00 0.17 C ATOM 230 CG PHE A 17 11.307 -5.934 3.105 1.00 0.17 C ATOM 231 CD1 PHE A 17 11.840 -7.055 3.725 1.00 0.19 C ATOM 232 CD2 PHE A 17 9.941 -5.715 3.190 1.00 0.20 C ATOM 233 CE1 PHE A 17 11.028 -7.938 4.410 1.00 0.23 C ATOM 234 CE2 PHE A 17 9.125 -6.594 3.877 1.00 0.23 C ATOM 235 CZ PHE A 17 9.669 -7.706 4.486 1.00 0.25 C ATOM 0 H PHE A 17 10.787 -6.341 0.131 1.00 0.17 H new ATOM 0 HA PHE A 17 13.079 -4.559 0.453 1.00 0.17 H new ATOM 0 HB2 PHE A 17 13.148 -4.897 2.882 1.00 0.17 H new ATOM 0 HB3 PHE A 17 11.737 -3.976 2.400 1.00 0.17 H new ATOM 0 HD1 PHE A 17 12.903 -7.239 3.671 1.00 0.19 H new ATOM 0 HD2 PHE A 17 9.509 -4.847 2.714 1.00 0.20 H new ATOM 0 HE1 PHE A 17 11.455 -8.808 4.885 1.00 0.23 H new ATOM 0 HE2 PHE A 17 8.062 -6.410 3.937 1.00 0.23 H new ATOM 0 HZ PHE A 17 9.032 -8.395 5.022 1.00 0.25 H new ATOM 245 N SER A 18 14.487 -6.647 1.067 1.00 0.22 N ATOM 246 CA SER A 18 15.277 -7.868 1.097 1.00 0.26 C ATOM 247 C SER A 18 14.646 -8.879 2.054 1.00 0.30 C ATOM 248 O SER A 18 14.615 -8.665 3.264 1.00 0.30 O ATOM 249 CB SER A 18 16.719 -7.558 1.516 1.00 0.29 C ATOM 250 OG SER A 18 16.764 -6.850 2.745 1.00 1.04 O ATOM 0 H SER A 18 15.014 -5.800 1.279 1.00 0.22 H new ATOM 0 HA SER A 18 15.295 -8.301 0.097 1.00 0.26 H new ATOM 0 HB2 SER A 18 17.279 -8.488 1.610 1.00 0.29 H new ATOM 0 HB3 SER A 18 17.206 -6.970 0.738 1.00 0.29 H new ATOM 0 HG SER A 18 16.397 -5.950 2.618 1.00 1.04 H new ATOM 256 N GLY A 19 14.116 -9.962 1.506 1.00 0.35 N ATOM 257 CA GLY A 19 13.444 -10.938 2.334 1.00 0.45 C ATOM 258 C GLY A 19 11.934 -10.857 2.213 1.00 0.42 C ATOM 259 O GLY A 19 11.211 -11.482 2.987 1.00 0.53 O ATOM 0 H GLY A 19 14.139 -10.181 0.510 1.00 0.35 H new ATOM 0 HA2 GLY A 19 13.775 -11.938 2.054 1.00 0.45 H new ATOM 0 HA3 GLY A 19 13.731 -10.787 3.375 1.00 0.45 H new ATOM 263 N SER A 20 11.444 -10.080 1.251 1.00 0.34 N ATOM 264 CA SER A 20 10.012 -9.896 1.089 1.00 0.41 C ATOM 265 C SER A 20 9.447 -10.900 0.091 1.00 0.40 C ATOM 266 O SER A 20 8.413 -10.651 -0.532 1.00 0.45 O ATOM 267 CB SER A 20 9.709 -8.468 0.625 1.00 0.51 C ATOM 268 OG SER A 20 10.337 -8.184 -0.612 1.00 0.70 O ATOM 0 H SER A 20 12.017 -9.572 0.577 1.00 0.34 H new ATOM 0 HA SER A 20 9.536 -10.064 2.055 1.00 0.41 H new ATOM 0 HB2 SER A 20 8.631 -8.336 0.527 1.00 0.51 H new ATOM 0 HB3 SER A 20 10.049 -7.758 1.379 1.00 0.51 H new ATOM 0 HG SER A 20 11.298 -8.057 -0.469 1.00 0.70 H new ATOM 274 N ARG A 21 10.149 -12.025 -0.066 1.00 0.43 N ATOM 275 CA ARG A 21 9.773 -13.082 -1.012 1.00 0.49 C ATOM 276 C ARG A 21 10.017 -12.649 -2.459 1.00 0.51 C ATOM 277 O ARG A 21 10.364 -13.465 -3.309 1.00 0.60 O ATOM 278 CB ARG A 21 8.317 -13.516 -0.809 1.00 0.58 C ATOM 279 CG ARG A 21 8.060 -14.126 0.555 1.00 1.25 C ATOM 280 CD ARG A 21 6.646 -14.656 0.665 1.00 1.25 C ATOM 281 NE ARG A 21 6.353 -15.156 2.007 1.00 2.28 N ATOM 282 CZ ARG A 21 5.663 -16.267 2.255 1.00 2.47 C ATOM 283 NH1 ARG A 21 5.204 -17.010 1.255 1.00 1.89 N ATOM 284 NH2 ARG A 21 5.437 -16.638 3.508 1.00 3.49 N ATOM 0 H ARG A 21 10.998 -12.230 0.461 1.00 0.43 H new ATOM 0 HA ARG A 21 10.411 -13.942 -0.810 1.00 0.49 H new ATOM 0 HB2 ARG A 21 7.665 -12.652 -0.942 1.00 0.58 H new ATOM 0 HB3 ARG A 21 8.049 -14.239 -1.579 1.00 0.58 H new ATOM 0 HG2 ARG A 21 8.768 -14.935 0.733 1.00 1.25 H new ATOM 0 HG3 ARG A 21 8.231 -13.377 1.328 1.00 1.25 H new ATOM 0 HD2 ARG A 21 5.941 -13.864 0.411 1.00 1.25 H new ATOM 0 HD3 ARG A 21 6.501 -15.457 -0.060 1.00 1.25 H new ATOM 0 HE ARG A 21 6.699 -14.620 2.803 1.00 2.28 H new ATOM 0 HH11 ARG A 21 5.379 -16.731 0.290 1.00 1.89 H new ATOM 0 HH12 ARG A 21 4.676 -17.860 1.452 1.00 1.89 H new ATOM 0 HH21 ARG A 21 5.792 -16.072 4.279 1.00 3.49 H new ATOM 0 HH22 ARG A 21 4.909 -17.489 3.701 1.00 3.49 H new ATOM 298 N ASN A 22 9.840 -11.365 -2.727 1.00 0.51 N ATOM 299 CA ASN A 22 10.110 -10.797 -4.037 1.00 0.62 C ATOM 300 C ASN A 22 11.029 -9.596 -3.879 1.00 0.58 C ATOM 301 O ASN A 22 10.560 -8.466 -3.731 1.00 0.64 O ATOM 302 CB ASN A 22 8.808 -10.361 -4.721 1.00 0.87 C ATOM 303 CG ASN A 22 7.821 -11.497 -4.898 1.00 0.93 C ATOM 304 OD1 ASN A 22 7.859 -12.220 -5.893 1.00 1.77 O ATOM 305 ND2 ASN A 22 6.911 -11.648 -3.944 1.00 0.80 N ATOM 0 H ASN A 22 9.505 -10.688 -2.042 1.00 0.51 H new ATOM 0 HA ASN A 22 10.587 -11.555 -4.658 1.00 0.62 H new ATOM 0 HB2 ASN A 22 8.342 -9.571 -4.132 1.00 0.87 H new ATOM 0 HB3 ASN A 22 9.042 -9.935 -5.697 1.00 0.87 H new ATOM 0 HD21 ASN A 22 6.209 -12.384 -4.020 1.00 0.80 H new ATOM 0 HD22 ASN A 22 6.913 -11.028 -3.134 1.00 0.80 H new ATOM 312 N PRO A 23 12.354 -9.814 -3.907 1.00 0.55 N ATOM 313 CA PRO A 23 13.332 -8.765 -3.629 1.00 0.61 C ATOM 314 C PRO A 23 13.571 -7.843 -4.828 1.00 0.79 C ATOM 315 O PRO A 23 14.710 -7.512 -5.157 1.00 1.71 O ATOM 316 CB PRO A 23 14.596 -9.549 -3.310 1.00 0.66 C ATOM 317 CG PRO A 23 14.477 -10.799 -4.116 1.00 0.73 C ATOM 318 CD PRO A 23 13.006 -11.098 -4.234 1.00 0.57 C ATOM 0 HA PRO A 23 12.999 -8.104 -2.829 1.00 0.61 H new ATOM 0 HB2 PRO A 23 15.490 -8.987 -3.580 1.00 0.66 H new ATOM 0 HB3 PRO A 23 14.668 -9.769 -2.245 1.00 0.66 H new ATOM 0 HG2 PRO A 23 14.926 -10.669 -5.101 1.00 0.73 H new ATOM 0 HG3 PRO A 23 15.002 -11.623 -3.633 1.00 0.73 H new ATOM 0 HD2 PRO A 23 12.746 -11.434 -5.238 1.00 0.57 H new ATOM 0 HD3 PRO A 23 12.702 -11.887 -3.546 1.00 0.57 H new ATOM 326 N VAL A 24 12.487 -7.425 -5.459 1.00 0.39 N ATOM 327 CA VAL A 24 12.521 -6.524 -6.603 1.00 0.36 C ATOM 328 C VAL A 24 11.359 -5.555 -6.493 1.00 0.32 C ATOM 329 O VAL A 24 10.201 -5.966 -6.539 1.00 0.35 O ATOM 330 CB VAL A 24 12.400 -7.270 -7.956 1.00 0.42 C ATOM 331 CG1 VAL A 24 12.471 -6.285 -9.121 1.00 0.43 C ATOM 332 CG2 VAL A 24 13.469 -8.345 -8.095 1.00 0.48 C ATOM 0 H VAL A 24 11.544 -7.705 -5.189 1.00 0.39 H new ATOM 0 HA VAL A 24 13.483 -6.012 -6.586 1.00 0.36 H new ATOM 0 HB VAL A 24 11.429 -7.764 -7.978 1.00 0.42 H new ATOM 0 HG11 VAL A 24 12.384 -6.828 -10.062 1.00 0.43 H new ATOM 0 HG12 VAL A 24 11.655 -5.566 -9.040 1.00 0.43 H new ATOM 0 HG13 VAL A 24 13.424 -5.757 -9.093 1.00 0.43 H new ATOM 0 HG21 VAL A 24 13.356 -8.849 -9.055 1.00 0.48 H new ATOM 0 HG22 VAL A 24 14.456 -7.886 -8.041 1.00 0.48 H new ATOM 0 HG23 VAL A 24 13.362 -9.071 -7.289 1.00 0.48 H new ATOM 342 N SER A 25 11.654 -4.282 -6.327 1.00 0.32 N ATOM 343 CA SER A 25 10.618 -3.290 -6.170 1.00 0.32 C ATOM 344 C SER A 25 10.397 -2.547 -7.485 1.00 0.32 C ATOM 345 O SER A 25 11.271 -2.539 -8.348 1.00 0.36 O ATOM 346 CB SER A 25 11.031 -2.329 -5.052 1.00 0.42 C ATOM 347 OG SER A 25 12.360 -1.868 -5.235 1.00 1.12 O ATOM 0 H SER A 25 12.604 -3.913 -6.298 1.00 0.32 H new ATOM 0 HA SER A 25 9.676 -3.767 -5.902 1.00 0.32 H new ATOM 0 HB2 SER A 25 10.349 -1.479 -5.029 1.00 0.42 H new ATOM 0 HB3 SER A 25 10.947 -2.831 -4.088 1.00 0.42 H new ATOM 0 HG SER A 25 12.709 -1.529 -4.384 1.00 1.12 H new ATOM 353 N ARG A 26 9.223 -1.938 -7.645 1.00 0.32 N ATOM 354 CA ARG A 26 8.968 -1.062 -8.782 1.00 0.34 C ATOM 355 C ARG A 26 9.734 0.230 -8.571 1.00 0.37 C ATOM 356 O ARG A 26 9.957 1.006 -9.501 1.00 0.44 O ATOM 357 CB ARG A 26 7.477 -0.756 -8.944 1.00 0.39 C ATOM 358 CG ARG A 26 6.624 -1.959 -9.319 1.00 0.52 C ATOM 359 CD ARG A 26 7.173 -2.695 -10.530 1.00 0.82 C ATOM 360 NE ARG A 26 7.379 -1.819 -11.684 1.00 1.21 N ATOM 361 CZ ARG A 26 7.679 -2.264 -12.904 1.00 1.88 C ATOM 362 NH1 ARG A 26 7.753 -3.567 -13.138 1.00 2.47 N ATOM 363 NH2 ARG A 26 7.896 -1.405 -13.890 1.00 2.54 N ATOM 0 H ARG A 26 8.437 -2.036 -7.002 1.00 0.32 H new ATOM 0 HA ARG A 26 9.297 -1.566 -9.691 1.00 0.34 H new ATOM 0 HB2 ARG A 26 7.101 -0.337 -8.011 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.357 0.011 -9.709 1.00 0.39 H new ATOM 0 HG2 ARG A 26 6.572 -2.644 -8.472 1.00 0.52 H new ATOM 0 HG3 ARG A 26 5.606 -1.630 -9.526 1.00 0.52 H new ATOM 0 HD2 ARG A 26 8.119 -3.166 -10.264 1.00 0.82 H new ATOM 0 HD3 ARG A 26 6.485 -3.495 -10.805 1.00 0.82 H new ATOM 0 HE ARG A 26 7.288 -0.812 -11.547 1.00 1.21 H new ATOM 0 HH11 ARG A 26 7.580 -4.231 -12.384 1.00 2.47 H new ATOM 0 HH12 ARG A 26 7.983 -3.905 -14.073 1.00 2.47 H new ATOM 0 HH21 ARG A 26 7.834 -0.402 -13.716 1.00 2.54 H new ATOM 0 HH22 ARG A 26 8.126 -1.747 -14.823 1.00 2.54 H new ATOM 377 N ARG A 27 10.135 0.433 -7.324 1.00 0.36 N ATOM 378 CA ARG A 27 10.920 1.586 -6.931 1.00 0.44 C ATOM 379 C ARG A 27 12.295 1.531 -7.588 1.00 0.53 C ATOM 380 O ARG A 27 12.753 2.510 -8.175 1.00 0.73 O ATOM 381 CB ARG A 27 11.086 1.612 -5.410 1.00 0.52 C ATOM 382 CG ARG A 27 11.132 3.009 -4.818 1.00 0.55 C ATOM 383 CD ARG A 27 11.804 3.018 -3.452 1.00 0.70 C ATOM 384 NE ARG A 27 13.233 2.712 -3.539 1.00 0.91 N ATOM 385 CZ ARG A 27 13.952 2.212 -2.531 1.00 1.12 C ATOM 386 NH1 ARG A 27 13.389 1.986 -1.355 1.00 1.77 N ATOM 387 NH2 ARG A 27 15.243 1.958 -2.695 1.00 1.63 N ATOM 0 H ARG A 27 9.922 -0.203 -6.555 1.00 0.36 H new ATOM 0 HA ARG A 27 10.401 2.488 -7.254 1.00 0.44 H new ATOM 0 HB2 ARG A 27 10.262 1.063 -4.955 1.00 0.52 H new ATOM 0 HB3 ARG A 27 12.003 1.086 -5.146 1.00 0.52 H new ATOM 0 HG2 ARG A 27 11.671 3.673 -5.493 1.00 0.55 H new ATOM 0 HG3 ARG A 27 10.119 3.400 -4.728 1.00 0.55 H new ATOM 0 HD2 ARG A 27 11.671 3.996 -2.989 1.00 0.70 H new ATOM 0 HD3 ARG A 27 11.317 2.290 -2.804 1.00 0.70 H new ATOM 0 HE ARG A 27 13.708 2.892 -4.423 1.00 0.91 H new ATOM 0 HH11 ARG A 27 12.400 2.194 -1.215 1.00 1.77 H new ATOM 0 HH12 ARG A 27 13.944 1.604 -0.589 1.00 1.77 H new ATOM 0 HH21 ARG A 27 15.689 2.145 -3.593 1.00 1.63 H new ATOM 0 HH22 ARG A 27 15.790 1.576 -1.923 1.00 1.63 H new ATOM 401 N THR A 28 12.949 0.376 -7.491 1.00 0.45 N ATOM 402 CA THR A 28 14.286 0.218 -8.043 1.00 0.53 C ATOM 403 C THR A 28 14.227 -0.410 -9.431 1.00 0.55 C ATOM 404 O THR A 28 15.026 -0.088 -10.310 1.00 0.67 O ATOM 405 CB THR A 28 15.159 -0.668 -7.134 1.00 0.55 C ATOM 406 OG1 THR A 28 14.686 -2.018 -7.168 1.00 0.55 O ATOM 407 CG2 THR A 28 15.119 -0.176 -5.699 1.00 0.53 C ATOM 0 H THR A 28 12.575 -0.458 -7.038 1.00 0.45 H new ATOM 0 HA THR A 28 14.728 1.212 -8.110 1.00 0.53 H new ATOM 0 HB THR A 28 16.184 -0.619 -7.502 1.00 0.55 H new ATOM 0 HG1 THR A 28 13.915 -2.110 -6.570 1.00 0.55 H new ATOM 0 HG21 THR A 28 15.743 -0.818 -5.077 1.00 0.53 H new ATOM 0 HG22 THR A 28 15.493 0.847 -5.655 1.00 0.53 H new ATOM 0 HG23 THR A 28 14.092 -0.203 -5.333 1.00 0.53 H new ATOM 415 N GLY A 29 13.265 -1.302 -9.619 1.00 0.47 N ATOM 416 CA GLY A 29 13.106 -1.984 -10.889 1.00 0.52 C ATOM 417 C GLY A 29 13.971 -3.226 -11.012 1.00 0.58 C ATOM 418 O GLY A 29 13.584 -4.187 -11.681 1.00 0.82 O ATOM 0 H GLY A 29 12.585 -1.568 -8.907 1.00 0.47 H new ATOM 0 HA2 GLY A 29 12.060 -2.263 -11.016 1.00 0.52 H new ATOM 0 HA3 GLY A 29 13.352 -1.296 -11.697 1.00 0.52 H new ATOM 422 N ASP A 30 15.135 -3.215 -10.373 1.00 0.53 N ATOM 423 CA ASP A 30 16.062 -4.339 -10.456 1.00 0.58 C ATOM 424 C ASP A 30 15.988 -5.214 -9.212 1.00 0.55 C ATOM 425 O ASP A 30 15.671 -6.398 -9.300 1.00 0.84 O ATOM 426 CB ASP A 30 17.503 -3.855 -10.691 1.00 0.67 C ATOM 427 CG ASP A 30 17.979 -2.816 -9.693 1.00 1.31 C ATOM 428 OD1 ASP A 30 18.452 -3.206 -8.608 1.00 2.10 O ATOM 429 OD2 ASP A 30 17.873 -1.604 -9.982 1.00 1.69 O ATOM 0 H ASP A 30 15.460 -2.442 -9.792 1.00 0.53 H new ATOM 0 HA ASP A 30 15.762 -4.944 -11.311 1.00 0.58 H new ATOM 0 HB2 ASP A 30 18.174 -4.713 -10.653 1.00 0.67 H new ATOM 0 HB3 ASP A 30 17.575 -3.438 -11.695 1.00 0.67 H new ATOM 434 N SER A 31 16.295 -4.646 -8.060 1.00 0.53 N ATOM 435 CA SER A 31 16.232 -5.383 -6.812 1.00 0.50 C ATOM 436 C SER A 31 16.016 -4.460 -5.626 1.00 0.42 C ATOM 437 O SER A 31 16.434 -3.306 -5.639 1.00 0.48 O ATOM 438 CB SER A 31 17.512 -6.188 -6.613 1.00 0.62 C ATOM 439 OG SER A 31 18.662 -5.400 -6.883 1.00 1.08 O ATOM 0 H SER A 31 16.591 -3.675 -7.963 1.00 0.53 H new ATOM 0 HA SER A 31 15.380 -6.060 -6.871 1.00 0.50 H new ATOM 0 HB2 SER A 31 17.555 -6.560 -5.589 1.00 0.62 H new ATOM 0 HB3 SER A 31 17.503 -7.059 -7.269 1.00 0.62 H new ATOM 0 HG SER A 31 18.419 -4.658 -7.476 1.00 1.08 H new ATOM 445 N THR A 32 15.350 -4.977 -4.612 1.00 0.34 N ATOM 446 CA THR A 32 15.192 -4.264 -3.351 1.00 0.29 C ATOM 447 C THR A 32 15.883 -5.064 -2.244 1.00 0.27 C ATOM 448 O THR A 32 15.543 -4.984 -1.066 1.00 0.28 O ATOM 449 CB THR A 32 13.699 -4.022 -3.024 1.00 0.27 C ATOM 450 OG1 THR A 32 13.555 -3.211 -1.859 1.00 0.27 O ATOM 451 CG2 THR A 32 12.959 -5.334 -2.831 1.00 0.29 C ATOM 0 H THR A 32 14.905 -5.895 -4.634 1.00 0.34 H new ATOM 0 HA THR A 32 15.657 -3.281 -3.430 1.00 0.29 H new ATOM 0 HB THR A 32 13.262 -3.498 -3.874 1.00 0.27 H new ATOM 0 HG1 THR A 32 12.657 -3.332 -1.485 1.00 0.27 H new ATOM 0 HG21 THR A 32 11.913 -5.131 -2.603 1.00 0.29 H new ATOM 0 HG22 THR A 32 13.023 -5.926 -3.744 1.00 0.29 H new ATOM 0 HG23 THR A 32 13.409 -5.888 -2.007 1.00 0.29 H new ATOM 459 N ALA A 33 16.890 -5.822 -2.657 1.00 0.31 N ATOM 460 CA ALA A 33 17.604 -6.732 -1.770 1.00 0.32 C ATOM 461 C ALA A 33 18.566 -5.994 -0.840 1.00 0.34 C ATOM 462 O ALA A 33 19.198 -6.605 0.018 1.00 0.37 O ATOM 463 CB ALA A 33 18.350 -7.773 -2.588 1.00 0.37 C ATOM 0 H ALA A 33 17.235 -5.824 -3.617 1.00 0.31 H new ATOM 0 HA ALA A 33 16.865 -7.227 -1.139 1.00 0.32 H new ATOM 0 HB1 ALA A 33 18.881 -8.450 -1.919 1.00 0.37 H new ATOM 0 HB2 ALA A 33 17.640 -8.341 -3.189 1.00 0.37 H new ATOM 0 HB3 ALA A 33 19.065 -7.276 -3.244 1.00 0.37 H new ATOM 469 N ASP A 34 18.688 -4.688 -1.020 1.00 0.35 N ATOM 470 CA ASP A 34 19.608 -3.889 -0.212 1.00 0.40 C ATOM 471 C ASP A 34 18.865 -3.207 0.932 1.00 0.36 C ATOM 472 O ASP A 34 19.469 -2.793 1.921 1.00 0.43 O ATOM 473 CB ASP A 34 20.309 -2.835 -1.073 1.00 0.49 C ATOM 474 CG ASP A 34 21.065 -3.439 -2.239 1.00 1.29 C ATOM 475 OD1 ASP A 34 22.243 -3.817 -2.066 1.00 1.31 O ATOM 476 OD2 ASP A 34 20.484 -3.543 -3.340 1.00 2.21 O ATOM 0 H ASP A 34 18.165 -4.156 -1.716 1.00 0.35 H new ATOM 0 HA ASP A 34 20.359 -4.561 0.204 1.00 0.40 H new ATOM 0 HB2 ASP A 34 19.569 -2.130 -1.452 1.00 0.49 H new ATOM 0 HB3 ASP A 34 21.001 -2.267 -0.452 1.00 0.49 H new ATOM 481 N VAL A 35 17.555 -3.093 0.788 1.00 0.31 N ATOM 482 CA VAL A 35 16.716 -2.439 1.785 1.00 0.28 C ATOM 483 C VAL A 35 15.993 -3.482 2.639 1.00 0.25 C ATOM 484 O VAL A 35 15.522 -4.491 2.126 1.00 0.25 O ATOM 485 CB VAL A 35 15.712 -1.452 1.112 1.00 0.27 C ATOM 486 CG1 VAL A 35 15.587 -1.726 -0.381 1.00 0.28 C ATOM 487 CG2 VAL A 35 14.341 -1.502 1.771 1.00 0.26 C ATOM 0 H VAL A 35 17.043 -3.449 -0.019 1.00 0.31 H new ATOM 0 HA VAL A 35 17.355 -1.850 2.443 1.00 0.28 H new ATOM 0 HB VAL A 35 16.115 -0.449 1.250 1.00 0.27 H new ATOM 0 HG11 VAL A 35 14.881 -1.023 -0.822 1.00 0.28 H new ATOM 0 HG12 VAL A 35 16.561 -1.608 -0.855 1.00 0.28 H new ATOM 0 HG13 VAL A 35 15.229 -2.744 -0.535 1.00 0.28 H new ATOM 0 HG21 VAL A 35 13.672 -0.800 1.273 1.00 0.26 H new ATOM 0 HG22 VAL A 35 13.935 -2.510 1.690 1.00 0.26 H new ATOM 0 HG23 VAL A 35 14.433 -1.231 2.823 1.00 0.26 H new ATOM 497 N THR A 36 15.934 -3.247 3.945 1.00 0.25 N ATOM 498 CA THR A 36 15.305 -4.184 4.869 1.00 0.27 C ATOM 499 C THR A 36 13.882 -3.744 5.146 1.00 0.23 C ATOM 500 O THR A 36 13.476 -2.701 4.652 1.00 0.20 O ATOM 501 CB THR A 36 16.069 -4.239 6.202 1.00 0.31 C ATOM 502 OG1 THR A 36 16.147 -2.924 6.770 1.00 0.30 O ATOM 503 CG2 THR A 36 17.463 -4.803 6.005 1.00 0.39 C ATOM 0 H THR A 36 16.316 -2.412 4.389 1.00 0.25 H new ATOM 0 HA THR A 36 15.317 -5.173 4.410 1.00 0.27 H new ATOM 0 HB THR A 36 15.529 -4.897 6.883 1.00 0.31 H new ATOM 0 HG1 THR A 36 16.944 -2.467 6.429 1.00 0.30 H new ATOM 0 HG21 THR A 36 17.983 -4.831 6.963 1.00 0.39 H new ATOM 0 HG22 THR A 36 17.393 -5.813 5.600 1.00 0.39 H new ATOM 0 HG23 THR A 36 18.016 -4.171 5.311 1.00 0.39 H new ATOM 511 N TYR A 37 13.116 -4.488 5.935 1.00 0.26 N ATOM 512 CA TYR A 37 11.797 -3.994 6.296 1.00 0.27 C ATOM 513 C TYR A 37 11.919 -2.781 7.209 1.00 0.23 C ATOM 514 O TYR A 37 11.014 -1.970 7.280 1.00 0.23 O ATOM 515 CB TYR A 37 10.864 -5.059 6.907 1.00 0.38 C ATOM 516 CG TYR A 37 11.470 -6.008 7.916 1.00 0.44 C ATOM 517 CD1 TYR A 37 12.423 -5.588 8.828 1.00 0.68 C ATOM 518 CD2 TYR A 37 11.058 -7.334 7.956 1.00 1.16 C ATOM 519 CE1 TYR A 37 12.960 -6.464 9.752 1.00 0.74 C ATOM 520 CE2 TYR A 37 11.589 -8.217 8.876 1.00 1.53 C ATOM 521 CZ TYR A 37 12.541 -7.777 9.770 1.00 1.12 C ATOM 522 OH TYR A 37 13.072 -8.651 10.691 1.00 1.50 O ATOM 0 H TYR A 37 13.371 -5.397 6.322 1.00 0.26 H new ATOM 0 HA TYR A 37 11.319 -3.701 5.361 1.00 0.27 H new ATOM 0 HB2 TYR A 37 10.030 -4.544 7.385 1.00 0.38 H new ATOM 0 HB3 TYR A 37 10.448 -5.652 6.092 1.00 0.38 H new ATOM 0 HD1 TYR A 37 12.752 -4.559 8.817 1.00 0.68 H new ATOM 0 HD2 TYR A 37 10.311 -7.680 7.257 1.00 1.16 H new ATOM 0 HE1 TYR A 37 13.704 -6.122 10.456 1.00 0.74 H new ATOM 0 HE2 TYR A 37 11.260 -9.246 8.895 1.00 1.53 H new ATOM 0 HH TYR A 37 12.670 -9.537 10.571 1.00 1.50 H new ATOM 532 N GLU A 38 13.063 -2.630 7.868 1.00 0.23 N ATOM 533 CA GLU A 38 13.302 -1.452 8.693 1.00 0.24 C ATOM 534 C GLU A 38 13.531 -0.233 7.805 1.00 0.24 C ATOM 535 O GLU A 38 13.013 0.848 8.077 1.00 0.26 O ATOM 536 CB GLU A 38 14.497 -1.666 9.626 1.00 0.29 C ATOM 537 CG GLU A 38 14.297 -2.793 10.623 1.00 0.35 C ATOM 538 CD GLU A 38 15.435 -2.905 11.614 1.00 0.67 C ATOM 539 OE1 GLU A 38 16.471 -3.507 11.269 1.00 0.96 O ATOM 540 OE2 GLU A 38 15.297 -2.398 12.748 1.00 0.93 O ATOM 0 H GLU A 38 13.831 -3.301 7.848 1.00 0.23 H new ATOM 0 HA GLU A 38 12.421 -1.281 9.312 1.00 0.24 H new ATOM 0 HB2 GLU A 38 15.382 -1.876 9.026 1.00 0.29 H new ATOM 0 HB3 GLU A 38 14.692 -0.742 10.170 1.00 0.29 H new ATOM 0 HG2 GLU A 38 13.364 -2.633 11.164 1.00 0.35 H new ATOM 0 HG3 GLU A 38 14.196 -3.735 10.084 1.00 0.35 H new ATOM 547 N ASP A 39 14.296 -0.416 6.731 1.00 0.24 N ATOM 548 CA ASP A 39 14.499 0.651 5.748 1.00 0.26 C ATOM 549 C ASP A 39 13.218 0.875 4.956 1.00 0.22 C ATOM 550 O ASP A 39 12.887 1.999 4.575 1.00 0.23 O ATOM 551 CB ASP A 39 15.632 0.312 4.773 1.00 0.31 C ATOM 552 CG ASP A 39 16.979 0.168 5.440 1.00 0.61 C ATOM 553 OD1 ASP A 39 17.610 1.198 5.758 1.00 0.91 O ATOM 554 OD2 ASP A 39 17.423 -0.983 5.636 1.00 0.82 O ATOM 0 H ASP A 39 14.784 -1.286 6.518 1.00 0.24 H new ATOM 0 HA ASP A 39 14.770 1.554 6.294 1.00 0.26 H new ATOM 0 HB2 ASP A 39 15.390 -0.617 4.257 1.00 0.31 H new ATOM 0 HB3 ASP A 39 15.693 1.092 4.014 1.00 0.31 H new ATOM 559 N ALA A 40 12.509 -0.217 4.714 1.00 0.19 N ATOM 560 CA ALA A 40 11.256 -0.185 3.973 1.00 0.18 C ATOM 561 C ALA A 40 10.179 0.536 4.772 1.00 0.16 C ATOM 562 O ALA A 40 9.491 1.409 4.251 1.00 0.17 O ATOM 563 CB ALA A 40 10.806 -1.595 3.622 1.00 0.18 C ATOM 0 H ALA A 40 12.785 -1.149 5.025 1.00 0.19 H new ATOM 0 HA ALA A 40 11.421 0.364 3.046 1.00 0.18 H new ATOM 0 HB1 ALA A 40 9.868 -1.550 3.069 1.00 0.18 H new ATOM 0 HB2 ALA A 40 11.567 -2.078 3.008 1.00 0.18 H new ATOM 0 HB3 ALA A 40 10.660 -2.169 4.537 1.00 0.18 H new ATOM 569 N ILE A 41 10.040 0.167 6.043 1.00 0.16 N ATOM 570 CA ILE A 41 9.110 0.844 6.938 1.00 0.18 C ATOM 571 C ILE A 41 9.510 2.295 7.092 1.00 0.20 C ATOM 572 O ILE A 41 8.659 3.181 7.137 1.00 0.21 O ATOM 573 CB ILE A 41 9.041 0.171 8.334 1.00 0.22 C ATOM 574 CG1 ILE A 41 8.366 -1.199 8.238 1.00 0.24 C ATOM 575 CG2 ILE A 41 8.302 1.058 9.329 1.00 0.27 C ATOM 576 CD1 ILE A 41 8.341 -1.957 9.546 1.00 0.30 C ATOM 0 H ILE A 41 10.560 -0.597 6.475 1.00 0.16 H new ATOM 0 HA ILE A 41 8.119 0.774 6.490 1.00 0.18 H new ATOM 0 HB ILE A 41 10.061 0.032 8.692 1.00 0.22 H new ATOM 0 HG12 ILE A 41 7.343 -1.066 7.885 1.00 0.24 H new ATOM 0 HG13 ILE A 41 8.886 -1.799 7.491 1.00 0.24 H new ATOM 0 HG21 ILE A 41 8.267 0.564 10.300 1.00 0.27 H new ATOM 0 HG22 ILE A 41 8.824 2.010 9.425 1.00 0.27 H new ATOM 0 HG23 ILE A 41 7.286 1.234 8.975 1.00 0.27 H new ATOM 0 HD11 ILE A 41 7.847 -2.918 9.400 1.00 0.30 H new ATOM 0 HD12 ILE A 41 9.362 -2.122 9.891 1.00 0.30 H new ATOM 0 HD13 ILE A 41 7.796 -1.378 10.291 1.00 0.30 H new ATOM 588 N LYS A 42 10.814 2.535 7.121 1.00 0.22 N ATOM 589 CA LYS A 42 11.331 3.885 7.239 1.00 0.28 C ATOM 590 C LYS A 42 10.852 4.728 6.064 1.00 0.28 C ATOM 591 O LYS A 42 10.671 5.937 6.182 1.00 0.37 O ATOM 592 CB LYS A 42 12.858 3.871 7.279 1.00 0.31 C ATOM 593 CG LYS A 42 13.468 5.223 7.604 1.00 0.85 C ATOM 594 CD LYS A 42 14.985 5.167 7.599 1.00 1.14 C ATOM 595 CE LYS A 42 15.583 6.515 7.960 1.00 1.46 C ATOM 596 NZ LYS A 42 15.182 6.949 9.324 1.00 2.32 N ATOM 0 H LYS A 42 11.530 1.811 7.064 1.00 0.22 H new ATOM 0 HA LYS A 42 10.962 4.319 8.168 1.00 0.28 H new ATOM 0 HB2 LYS A 42 13.187 3.145 8.022 1.00 0.31 H new ATOM 0 HB3 LYS A 42 13.236 3.533 6.314 1.00 0.31 H new ATOM 0 HG2 LYS A 42 13.128 5.960 6.877 1.00 0.85 H new ATOM 0 HG3 LYS A 42 13.119 5.555 8.582 1.00 0.85 H new ATOM 0 HD2 LYS A 42 15.326 4.413 8.308 1.00 1.14 H new ATOM 0 HD3 LYS A 42 15.337 4.861 6.614 1.00 1.14 H new ATOM 0 HE2 LYS A 42 16.670 6.458 7.902 1.00 1.46 H new ATOM 0 HE3 LYS A 42 15.263 7.261 7.232 1.00 1.46 H new ATOM 0 HZ1 LYS A 42 15.817 7.706 9.648 1.00 2.32 H new ATOM 0 HZ2 LYS A 42 14.204 7.303 9.302 1.00 2.32 H new ATOM 0 HZ3 LYS A 42 15.244 6.142 9.977 1.00 2.32 H new ATOM 610 N GLU A 43 10.630 4.065 4.942 1.00 0.22 N ATOM 611 CA GLU A 43 10.202 4.736 3.731 1.00 0.25 C ATOM 612 C GLU A 43 8.686 4.821 3.678 1.00 0.18 C ATOM 613 O GLU A 43 8.123 5.895 3.451 1.00 0.18 O ATOM 614 CB GLU A 43 10.740 4.013 2.496 1.00 0.33 C ATOM 615 CG GLU A 43 10.080 4.470 1.209 1.00 0.34 C ATOM 616 CD GLU A 43 10.787 3.981 -0.029 1.00 0.55 C ATOM 617 OE1 GLU A 43 11.304 2.844 0.003 1.00 1.02 O ATOM 618 OE2 GLU A 43 10.833 4.727 -1.027 1.00 0.94 O ATOM 0 H GLU A 43 10.741 3.056 4.847 1.00 0.22 H new ATOM 0 HA GLU A 43 10.605 5.749 3.739 1.00 0.25 H new ATOM 0 HB2 GLU A 43 11.815 4.177 2.425 1.00 0.33 H new ATOM 0 HB3 GLU A 43 10.589 2.940 2.615 1.00 0.33 H new ATOM 0 HG2 GLU A 43 9.048 4.118 1.193 1.00 0.34 H new ATOM 0 HG3 GLU A 43 10.046 5.559 1.193 1.00 0.34 H new ATOM 625 N LEU A 44 8.031 3.687 3.907 1.00 0.16 N ATOM 626 CA LEU A 44 6.578 3.619 3.833 1.00 0.15 C ATOM 627 C LEU A 44 5.958 4.600 4.822 1.00 0.14 C ATOM 628 O LEU A 44 4.942 5.228 4.532 1.00 0.16 O ATOM 629 CB LEU A 44 6.069 2.202 4.117 1.00 0.13 C ATOM 630 CG LEU A 44 4.571 1.997 3.857 1.00 0.15 C ATOM 631 CD1 LEU A 44 4.252 2.215 2.392 1.00 0.17 C ATOM 632 CD2 LEU A 44 4.129 0.610 4.280 1.00 0.14 C ATOM 0 H LEU A 44 8.484 2.805 4.145 1.00 0.16 H new ATOM 0 HA LEU A 44 6.281 3.888 2.819 1.00 0.15 H new ATOM 0 HB2 LEU A 44 6.631 1.498 3.502 1.00 0.13 H new ATOM 0 HB3 LEU A 44 6.281 1.956 5.158 1.00 0.13 H new ATOM 0 HG LEU A 44 4.026 2.729 4.453 1.00 0.15 H new ATOM 0 HD11 LEU A 44 3.185 2.065 2.226 1.00 0.17 H new ATOM 0 HD12 LEU A 44 4.525 3.231 2.108 1.00 0.17 H new ATOM 0 HD13 LEU A 44 4.816 1.505 1.787 1.00 0.17 H new ATOM 0 HD21 LEU A 44 3.063 0.492 4.084 1.00 0.14 H new ATOM 0 HD22 LEU A 44 4.686 -0.137 3.715 1.00 0.14 H new ATOM 0 HD23 LEU A 44 4.319 0.476 5.345 1.00 0.14 H new ATOM 644 N GLN A 45 6.601 4.744 5.983 1.00 0.14 N ATOM 645 CA GLN A 45 6.123 5.643 7.031 1.00 0.14 C ATOM 646 C GLN A 45 6.209 7.102 6.615 1.00 0.17 C ATOM 647 O GLN A 45 5.497 7.944 7.156 1.00 0.27 O ATOM 648 CB GLN A 45 6.918 5.434 8.321 1.00 0.16 C ATOM 649 CG GLN A 45 6.410 4.281 9.169 1.00 0.22 C ATOM 650 CD GLN A 45 5.264 4.673 10.083 1.00 0.36 C ATOM 651 OE1 GLN A 45 4.451 5.624 9.657 1.00 0.87 O flip ATOM 652 NE2 GLN A 45 5.107 4.115 11.170 1.00 0.44 N flip ATOM 0 H GLN A 45 7.459 4.246 6.220 1.00 0.14 H new ATOM 0 HA GLN A 45 5.074 5.401 7.202 1.00 0.14 H new ATOM 0 HB2 GLN A 45 7.963 5.255 8.069 1.00 0.16 H new ATOM 0 HB3 GLN A 45 6.885 6.350 8.911 1.00 0.16 H new ATOM 0 HG2 GLN A 45 6.084 3.473 8.514 1.00 0.22 H new ATOM 0 HG3 GLN A 45 7.231 3.892 9.772 1.00 0.22 H new ATOM 0 HE21 GLN A 45 5.754 3.385 11.467 1.00 0.44 H new ATOM 0 HE22 GLN A 45 4.330 4.383 11.773 1.00 0.44 H new ATOM 661 N LYS A 46 7.084 7.406 5.673 1.00 0.14 N ATOM 662 CA LYS A 46 7.235 8.772 5.203 1.00 0.17 C ATOM 663 C LYS A 46 6.212 9.070 4.118 1.00 0.18 C ATOM 664 O LYS A 46 5.637 10.154 4.081 1.00 0.21 O ATOM 665 CB LYS A 46 8.657 9.015 4.697 1.00 0.22 C ATOM 666 CG LYS A 46 9.706 8.897 5.793 1.00 0.27 C ATOM 667 CD LYS A 46 11.118 9.040 5.249 1.00 0.39 C ATOM 668 CE LYS A 46 12.154 8.826 6.346 1.00 0.49 C ATOM 669 NZ LYS A 46 12.088 9.875 7.398 1.00 1.31 N ATOM 0 H LYS A 46 7.698 6.729 5.220 1.00 0.14 H new ATOM 0 HA LYS A 46 7.057 9.450 6.038 1.00 0.17 H new ATOM 0 HB2 LYS A 46 8.883 8.299 3.907 1.00 0.22 H new ATOM 0 HB3 LYS A 46 8.714 10.009 4.253 1.00 0.22 H new ATOM 0 HG2 LYS A 46 9.529 9.663 6.548 1.00 0.27 H new ATOM 0 HG3 LYS A 46 9.605 7.932 6.289 1.00 0.27 H new ATOM 0 HD2 LYS A 46 11.277 8.318 4.448 1.00 0.39 H new ATOM 0 HD3 LYS A 46 11.244 10.031 4.814 1.00 0.39 H new ATOM 0 HE2 LYS A 46 12.000 7.848 6.802 1.00 0.49 H new ATOM 0 HE3 LYS A 46 13.151 8.819 5.905 1.00 0.49 H new ATOM 0 HZ1 LYS A 46 12.884 9.756 8.057 1.00 1.31 H new ATOM 0 HZ2 LYS A 46 12.142 10.815 6.955 1.00 1.31 H new ATOM 0 HZ3 LYS A 46 11.192 9.789 7.919 1.00 1.31 H new ATOM 683 N TRP A 47 5.984 8.108 3.235 1.00 0.16 N ATOM 684 CA TRP A 47 4.947 8.249 2.227 1.00 0.19 C ATOM 685 C TRP A 47 3.561 8.275 2.859 1.00 0.19 C ATOM 686 O TRP A 47 2.770 9.161 2.551 1.00 0.22 O ATOM 687 CB TRP A 47 5.057 7.146 1.178 1.00 0.20 C ATOM 688 CG TRP A 47 6.373 7.187 0.476 1.00 0.20 C ATOM 689 CD1 TRP A 47 7.270 6.171 0.348 1.00 0.18 C ATOM 690 CD2 TRP A 47 6.959 8.327 -0.164 1.00 0.30 C ATOM 691 NE1 TRP A 47 8.379 6.606 -0.334 1.00 0.24 N ATOM 692 CE2 TRP A 47 8.211 7.929 -0.656 1.00 0.32 C ATOM 693 CE3 TRP A 47 6.545 9.650 -0.368 1.00 0.41 C ATOM 694 CZ2 TRP A 47 9.052 8.800 -1.335 1.00 0.43 C ATOM 695 CZ3 TRP A 47 7.382 10.513 -1.046 1.00 0.52 C ATOM 696 CH2 TRP A 47 8.625 10.086 -1.522 1.00 0.52 C ATOM 0 H TRP A 47 6.499 7.229 3.197 1.00 0.16 H new ATOM 0 HA TRP A 47 5.095 9.205 1.725 1.00 0.19 H new ATOM 0 HB2 TRP A 47 4.928 6.175 1.655 1.00 0.20 H new ATOM 0 HB3 TRP A 47 4.252 7.253 0.451 1.00 0.20 H new ATOM 0 HD1 TRP A 47 7.130 5.170 0.727 1.00 0.18 H new ATOM 0 HE1 TRP A 47 9.195 6.038 -0.564 1.00 0.24 H new ATOM 0 HE3 TRP A 47 5.587 9.989 -0.001 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 10.013 8.473 -1.704 1.00 0.43 H new ATOM 0 HZ3 TRP A 47 7.072 11.534 -1.211 1.00 0.52 H new ATOM 0 HH2 TRP A 47 9.260 10.784 -2.047 1.00 0.52 H new ATOM 707 N SER A 48 3.275 7.337 3.762 1.00 0.17 N ATOM 708 CA SER A 48 1.989 7.332 4.449 1.00 0.19 C ATOM 709 C SER A 48 1.835 8.603 5.282 1.00 0.20 C ATOM 710 O SER A 48 0.726 9.088 5.494 1.00 0.28 O ATOM 711 CB SER A 48 1.821 6.071 5.316 1.00 0.23 C ATOM 712 OG SER A 48 2.798 5.982 6.345 1.00 0.82 O ATOM 0 H SER A 48 3.907 6.583 4.030 1.00 0.17 H new ATOM 0 HA SER A 48 1.198 7.313 3.699 1.00 0.19 H new ATOM 0 HB2 SER A 48 0.827 6.071 5.763 1.00 0.23 H new ATOM 0 HB3 SER A 48 1.885 5.187 4.682 1.00 0.23 H new ATOM 0 HG SER A 48 3.685 5.866 5.945 1.00 0.82 H new ATOM 718 N GLN A 49 2.965 9.150 5.723 1.00 0.17 N ATOM 719 CA GLN A 49 2.986 10.433 6.415 1.00 0.17 C ATOM 720 C GLN A 49 2.583 11.553 5.465 1.00 0.18 C ATOM 721 O GLN A 49 1.627 12.278 5.719 1.00 0.21 O ATOM 722 CB GLN A 49 4.385 10.725 6.951 1.00 0.19 C ATOM 723 CG GLN A 49 4.449 11.954 7.834 1.00 0.23 C ATOM 724 CD GLN A 49 5.860 12.481 7.984 1.00 0.36 C ATOM 725 OE1 GLN A 49 6.595 12.078 8.885 1.00 0.53 O ATOM 726 NE2 GLN A 49 6.248 13.391 7.103 1.00 0.45 N ATOM 0 H GLN A 49 3.883 8.720 5.612 1.00 0.17 H new ATOM 0 HA GLN A 49 2.279 10.381 7.243 1.00 0.17 H new ATOM 0 HB2 GLN A 49 4.736 9.862 7.517 1.00 0.19 H new ATOM 0 HB3 GLN A 49 5.068 10.855 6.111 1.00 0.19 H new ATOM 0 HG2 GLN A 49 3.815 12.734 7.413 1.00 0.23 H new ATOM 0 HG3 GLN A 49 4.047 11.713 8.818 1.00 0.23 H new ATOM 0 HE21 GLN A 49 5.607 13.698 6.371 1.00 0.45 H new ATOM 0 HE22 GLN A 49 7.187 13.785 7.157 1.00 0.45 H new ATOM 735 N ARG A 50 3.318 11.674 4.363 1.00 0.16 N ATOM 736 CA ARG A 50 3.098 12.748 3.399 1.00 0.16 C ATOM 737 C ARG A 50 1.700 12.685 2.800 1.00 0.14 C ATOM 738 O ARG A 50 1.051 13.712 2.619 1.00 0.15 O ATOM 739 CB ARG A 50 4.123 12.687 2.271 1.00 0.15 C ATOM 740 CG ARG A 50 5.549 12.984 2.692 1.00 0.19 C ATOM 741 CD ARG A 50 6.480 12.897 1.498 1.00 0.20 C ATOM 742 NE ARG A 50 7.846 13.294 1.821 1.00 0.27 N ATOM 743 CZ ARG A 50 8.722 13.744 0.922 1.00 0.33 C ATOM 744 NH1 ARG A 50 8.370 13.861 -0.355 1.00 0.35 N ATOM 745 NH2 ARG A 50 9.949 14.081 1.299 1.00 0.42 N ATOM 0 H ARG A 50 4.075 11.038 4.115 1.00 0.16 H new ATOM 0 HA ARG A 50 3.208 13.687 3.942 1.00 0.16 H new ATOM 0 HB2 ARG A 50 4.091 11.694 1.823 1.00 0.15 H new ATOM 0 HB3 ARG A 50 3.832 13.396 1.496 1.00 0.15 H new ATOM 0 HG2 ARG A 50 5.605 13.979 3.134 1.00 0.19 H new ATOM 0 HG3 ARG A 50 5.864 12.277 3.459 1.00 0.19 H new ATOM 0 HD2 ARG A 50 6.483 11.875 1.118 1.00 0.20 H new ATOM 0 HD3 ARG A 50 6.100 13.533 0.699 1.00 0.20 H new ATOM 0 HE ARG A 50 8.149 13.223 2.792 1.00 0.27 H new ATOM 0 HH11 ARG A 50 7.427 13.606 -0.650 1.00 0.35 H new ATOM 0 HH12 ARG A 50 9.043 14.206 -1.040 1.00 0.35 H new ATOM 0 HH21 ARG A 50 10.223 13.996 2.278 1.00 0.42 H new ATOM 0 HH22 ARG A 50 10.618 14.425 0.610 1.00 0.42 H new ATOM 759 N ILE A 51 1.255 11.482 2.473 1.00 0.13 N ATOM 760 CA ILE A 51 -0.085 11.280 1.942 1.00 0.13 C ATOM 761 C ILE A 51 -1.137 11.723 2.963 1.00 0.16 C ATOM 762 O ILE A 51 -2.167 12.299 2.603 1.00 0.20 O ATOM 763 CB ILE A 51 -0.314 9.800 1.556 1.00 0.13 C ATOM 764 CG1 ILE A 51 0.658 9.377 0.450 1.00 0.12 C ATOM 765 CG2 ILE A 51 -1.746 9.576 1.104 1.00 0.15 C ATOM 766 CD1 ILE A 51 0.597 7.899 0.117 1.00 0.13 C ATOM 0 H ILE A 51 1.804 10.627 2.566 1.00 0.13 H new ATOM 0 HA ILE A 51 -0.184 11.888 1.043 1.00 0.13 H new ATOM 0 HB ILE A 51 -0.130 9.188 2.439 1.00 0.13 H new ATOM 0 HG12 ILE A 51 0.443 9.952 -0.450 1.00 0.12 H new ATOM 0 HG13 ILE A 51 1.673 9.630 0.755 1.00 0.12 H new ATOM 0 HG21 ILE A 51 -1.884 8.528 0.838 1.00 0.15 H new ATOM 0 HG22 ILE A 51 -2.428 9.837 1.913 1.00 0.15 H new ATOM 0 HG23 ILE A 51 -1.956 10.202 0.236 1.00 0.15 H new ATOM 0 HD11 ILE A 51 1.313 7.674 -0.674 1.00 0.13 H new ATOM 0 HD12 ILE A 51 0.842 7.316 1.005 1.00 0.13 H new ATOM 0 HD13 ILE A 51 -0.408 7.643 -0.219 1.00 0.13 H new ATOM 778 N ALA A 52 -0.852 11.480 4.238 1.00 0.16 N ATOM 779 CA ALA A 52 -1.767 11.838 5.311 1.00 0.20 C ATOM 780 C ALA A 52 -1.715 13.333 5.622 1.00 0.22 C ATOM 781 O ALA A 52 -2.731 13.940 5.961 1.00 0.27 O ATOM 782 CB ALA A 52 -1.441 11.035 6.559 1.00 0.21 C ATOM 0 H ALA A 52 0.010 11.034 4.552 1.00 0.16 H new ATOM 0 HA ALA A 52 -2.778 11.603 4.980 1.00 0.20 H new ATOM 0 HB1 ALA A 52 -2.130 11.308 7.358 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.539 9.971 6.343 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.419 11.249 6.872 1.00 0.21 H new ATOM 788 N SER A 53 -0.530 13.921 5.516 1.00 0.22 N ATOM 789 CA SER A 53 -0.344 15.330 5.834 1.00 0.26 C ATOM 790 C SER A 53 -0.787 16.227 4.680 1.00 0.28 C ATOM 791 O SER A 53 -1.254 17.349 4.893 1.00 0.35 O ATOM 792 CB SER A 53 1.125 15.592 6.168 1.00 0.28 C ATOM 793 OG SER A 53 1.969 15.146 5.120 1.00 0.26 O ATOM 0 H SER A 53 0.318 13.442 5.212 1.00 0.22 H new ATOM 0 HA SER A 53 -0.965 15.569 6.698 1.00 0.26 H new ATOM 0 HB2 SER A 53 1.279 16.658 6.336 1.00 0.28 H new ATOM 0 HB3 SER A 53 1.388 15.082 7.095 1.00 0.28 H new ATOM 0 HG SER A 53 2.903 15.337 5.348 1.00 0.26 H new ATOM 799 N GLY A 54 -0.661 15.722 3.463 1.00 0.25 N ATOM 800 CA GLY A 54 -1.046 16.491 2.299 1.00 0.28 C ATOM 801 C GLY A 54 0.152 16.953 1.496 1.00 0.26 C ATOM 802 O GLY A 54 0.008 17.688 0.520 1.00 0.30 O ATOM 0 H GLY A 54 -0.298 14.791 3.260 1.00 0.25 H new ATOM 0 HA2 GLY A 54 -1.695 15.887 1.665 1.00 0.28 H new ATOM 0 HA3 GLY A 54 -1.626 17.358 2.614 1.00 0.28 H new ATOM 806 N GLU A 55 1.338 16.520 1.911 1.00 0.23 N ATOM 807 CA GLU A 55 2.571 16.854 1.205 1.00 0.23 C ATOM 808 C GLU A 55 2.527 16.303 -0.216 1.00 0.20 C ATOM 809 O GLU A 55 2.805 17.014 -1.180 1.00 0.24 O ATOM 810 CB GLU A 55 3.776 16.298 1.959 1.00 0.24 C ATOM 811 CG GLU A 55 3.947 16.900 3.344 1.00 0.42 C ATOM 812 CD GLU A 55 5.054 16.239 4.135 1.00 0.46 C ATOM 813 OE1 GLU A 55 6.239 16.537 3.874 1.00 0.54 O ATOM 814 OE2 GLU A 55 4.745 15.411 5.016 1.00 0.65 O ATOM 0 H GLU A 55 1.472 15.935 2.736 1.00 0.23 H new ATOM 0 HA GLU A 55 2.667 17.939 1.153 1.00 0.23 H new ATOM 0 HB2 GLU A 55 3.672 15.217 2.050 1.00 0.24 H new ATOM 0 HB3 GLU A 55 4.678 16.483 1.376 1.00 0.24 H new ATOM 0 HG2 GLU A 55 4.160 17.965 3.249 1.00 0.42 H new ATOM 0 HG3 GLU A 55 3.010 16.810 3.893 1.00 0.42 H new ATOM 821 N VAL A 56 2.164 15.033 -0.334 1.00 0.17 N ATOM 822 CA VAL A 56 1.909 14.424 -1.630 1.00 0.15 C ATOM 823 C VAL A 56 0.617 13.633 -1.568 1.00 0.15 C ATOM 824 O VAL A 56 0.171 13.245 -0.486 1.00 0.19 O ATOM 825 CB VAL A 56 3.046 13.487 -2.104 1.00 0.15 C ATOM 826 CG1 VAL A 56 4.280 14.281 -2.492 1.00 0.18 C ATOM 827 CG2 VAL A 56 3.392 12.455 -1.045 1.00 0.15 C ATOM 0 H VAL A 56 2.039 14.402 0.458 1.00 0.17 H new ATOM 0 HA VAL A 56 1.842 15.239 -2.350 1.00 0.15 H new ATOM 0 HB VAL A 56 2.685 12.958 -2.986 1.00 0.15 H new ATOM 0 HG11 VAL A 56 5.063 13.598 -2.821 1.00 0.18 H new ATOM 0 HG12 VAL A 56 4.032 14.966 -3.303 1.00 0.18 H new ATOM 0 HG13 VAL A 56 4.632 14.850 -1.631 1.00 0.18 H new ATOM 0 HG21 VAL A 56 4.194 11.813 -1.410 1.00 0.15 H new ATOM 0 HG22 VAL A 56 3.718 12.961 -0.136 1.00 0.15 H new ATOM 0 HG23 VAL A 56 2.513 11.849 -0.827 1.00 0.15 H new ATOM 837 N SER A 57 0.009 13.410 -2.714 1.00 0.13 N ATOM 838 CA SER A 57 -1.196 12.617 -2.778 1.00 0.15 C ATOM 839 C SER A 57 -0.830 11.149 -2.887 1.00 0.15 C ATOM 840 O SER A 57 0.302 10.827 -3.260 1.00 0.18 O ATOM 841 CB SER A 57 -2.057 13.053 -3.962 1.00 0.22 C ATOM 842 OG SER A 57 -2.408 14.422 -3.848 1.00 0.97 O ATOM 0 H SER A 57 0.331 13.768 -3.613 1.00 0.13 H new ATOM 0 HA SER A 57 -1.777 12.768 -1.868 1.00 0.15 H new ATOM 0 HB2 SER A 57 -1.515 12.888 -4.893 1.00 0.22 H new ATOM 0 HB3 SER A 57 -2.959 12.443 -4.006 1.00 0.22 H new ATOM 0 HG SER A 57 -2.958 14.684 -4.616 1.00 0.97 H new ATOM 848 N PHE A 58 -1.760 10.268 -2.553 1.00 0.16 N ATOM 849 CA PHE A 58 -1.488 8.837 -2.576 1.00 0.16 C ATOM 850 C PHE A 58 -0.945 8.432 -3.944 1.00 0.18 C ATOM 851 O PHE A 58 0.044 7.702 -4.050 1.00 0.19 O ATOM 852 CB PHE A 58 -2.765 8.057 -2.256 1.00 0.18 C ATOM 853 CG PHE A 58 -2.519 6.681 -1.703 1.00 0.17 C ATOM 854 CD1 PHE A 58 -1.933 5.698 -2.480 1.00 0.18 C ATOM 855 CD2 PHE A 58 -2.883 6.373 -0.402 1.00 0.19 C ATOM 856 CE1 PHE A 58 -1.712 4.434 -1.972 1.00 0.20 C ATOM 857 CE2 PHE A 58 -2.665 5.110 0.112 1.00 0.21 C ATOM 858 CZ PHE A 58 -2.079 4.140 -0.673 1.00 0.22 C ATOM 0 H PHE A 58 -2.706 10.516 -2.264 1.00 0.16 H new ATOM 0 HA PHE A 58 -0.738 8.604 -1.820 1.00 0.16 H new ATOM 0 HB2 PHE A 58 -3.355 8.626 -1.538 1.00 0.18 H new ATOM 0 HB3 PHE A 58 -3.363 7.971 -3.163 1.00 0.18 H new ATOM 0 HD1 PHE A 58 -1.645 5.922 -3.496 1.00 0.18 H new ATOM 0 HD2 PHE A 58 -3.342 7.129 0.217 1.00 0.19 H new ATOM 0 HE1 PHE A 58 -1.253 3.676 -2.589 1.00 0.20 H new ATOM 0 HE2 PHE A 58 -2.953 4.882 1.128 1.00 0.21 H new ATOM 0 HZ PHE A 58 -1.907 3.152 -0.273 1.00 0.22 H new ATOM 868 N GLU A 59 -1.585 8.963 -4.977 1.00 0.20 N ATOM 869 CA GLU A 59 -1.240 8.670 -6.360 1.00 0.22 C ATOM 870 C GLU A 59 0.222 8.997 -6.665 1.00 0.24 C ATOM 871 O GLU A 59 0.889 8.249 -7.381 1.00 0.31 O ATOM 872 CB GLU A 59 -2.156 9.447 -7.316 1.00 0.27 C ATOM 873 CG GLU A 59 -3.650 9.233 -7.077 1.00 0.36 C ATOM 874 CD GLU A 59 -4.180 10.004 -5.879 1.00 0.87 C ATOM 875 OE1 GLU A 59 -4.408 11.226 -6.013 1.00 0.96 O ATOM 876 OE2 GLU A 59 -4.365 9.398 -4.803 1.00 1.72 O ATOM 0 H GLU A 59 -2.364 9.614 -4.877 1.00 0.20 H new ATOM 0 HA GLU A 59 -1.382 7.600 -6.509 1.00 0.22 H new ATOM 0 HB2 GLU A 59 -1.935 10.511 -7.226 1.00 0.27 H new ATOM 0 HB3 GLU A 59 -1.920 9.158 -8.340 1.00 0.27 H new ATOM 0 HG2 GLU A 59 -4.201 9.534 -7.968 1.00 0.36 H new ATOM 0 HG3 GLU A 59 -3.839 8.170 -6.930 1.00 0.36 H new ATOM 883 N GLU A 60 0.726 10.101 -6.114 1.00 0.23 N ATOM 884 CA GLU A 60 2.097 10.522 -6.386 1.00 0.24 C ATOM 885 C GLU A 60 3.098 9.520 -5.832 1.00 0.23 C ATOM 886 O GLU A 60 4.011 9.088 -6.533 1.00 0.26 O ATOM 887 CB GLU A 60 2.377 11.909 -5.800 1.00 0.25 C ATOM 888 CG GLU A 60 1.576 13.019 -6.460 1.00 0.29 C ATOM 889 CD GLU A 60 1.812 13.091 -7.954 1.00 1.18 C ATOM 890 OE1 GLU A 60 2.853 13.633 -8.371 1.00 1.24 O ATOM 891 OE2 GLU A 60 0.959 12.604 -8.723 1.00 2.09 O ATOM 0 H GLU A 60 0.210 10.714 -5.483 1.00 0.23 H new ATOM 0 HA GLU A 60 2.211 10.570 -7.469 1.00 0.24 H new ATOM 0 HB2 GLU A 60 2.154 11.896 -4.733 1.00 0.25 H new ATOM 0 HB3 GLU A 60 3.440 12.129 -5.901 1.00 0.25 H new ATOM 0 HG2 GLU A 60 0.515 12.860 -6.270 1.00 0.29 H new ATOM 0 HG3 GLU A 60 1.841 13.974 -6.006 1.00 0.29 H new ATOM 898 N ALA A 61 2.916 9.139 -4.578 1.00 0.22 N ATOM 899 CA ALA A 61 3.839 8.222 -3.932 1.00 0.23 C ATOM 900 C ALA A 61 3.737 6.826 -4.534 1.00 0.22 C ATOM 901 O ALA A 61 4.750 6.182 -4.797 1.00 0.26 O ATOM 902 CB ALA A 61 3.584 8.174 -2.435 1.00 0.24 C ATOM 0 H ALA A 61 2.142 9.449 -3.990 1.00 0.22 H new ATOM 0 HA ALA A 61 4.851 8.590 -4.101 1.00 0.23 H new ATOM 0 HB1 ALA A 61 4.285 7.482 -1.969 1.00 0.24 H new ATOM 0 HB2 ALA A 61 3.720 9.169 -2.011 1.00 0.24 H new ATOM 0 HB3 ALA A 61 2.564 7.837 -2.250 1.00 0.24 H new ATOM 908 N ALA A 62 2.513 6.378 -4.776 1.00 0.20 N ATOM 909 CA ALA A 62 2.269 5.026 -5.263 1.00 0.20 C ATOM 910 C ALA A 62 2.928 4.777 -6.618 1.00 0.21 C ATOM 911 O ALA A 62 3.700 3.838 -6.766 1.00 0.24 O ATOM 912 CB ALA A 62 0.777 4.764 -5.344 1.00 0.20 C ATOM 0 H ALA A 62 1.669 6.934 -4.642 1.00 0.20 H new ATOM 0 HA ALA A 62 2.719 4.333 -4.553 1.00 0.20 H new ATOM 0 HB1 ALA A 62 0.605 3.751 -5.709 1.00 0.20 H new ATOM 0 HB2 ALA A 62 0.334 4.873 -4.354 1.00 0.20 H new ATOM 0 HB3 ALA A 62 0.319 5.479 -6.027 1.00 0.20 H new ATOM 918 N SER A 63 2.640 5.635 -7.584 1.00 0.21 N ATOM 919 CA SER A 63 3.150 5.494 -8.949 1.00 0.23 C ATOM 920 C SER A 63 4.672 5.306 -9.008 1.00 0.24 C ATOM 921 O SER A 63 5.196 4.784 -9.991 1.00 0.27 O ATOM 922 CB SER A 63 2.751 6.722 -9.767 1.00 0.26 C ATOM 923 OG SER A 63 1.356 6.962 -9.666 1.00 1.00 O ATOM 0 H SER A 63 2.045 6.452 -7.449 1.00 0.21 H new ATOM 0 HA SER A 63 2.706 4.590 -9.366 1.00 0.23 H new ATOM 0 HB2 SER A 63 3.301 7.594 -9.414 1.00 0.26 H new ATOM 0 HB3 SER A 63 3.025 6.574 -10.812 1.00 0.26 H new ATOM 0 HG SER A 63 1.182 7.568 -8.916 1.00 1.00 H new ATOM 929 N GLN A 64 5.377 5.722 -7.966 1.00 0.24 N ATOM 930 CA GLN A 64 6.823 5.589 -7.935 1.00 0.27 C ATOM 931 C GLN A 64 7.232 4.458 -7.011 1.00 0.26 C ATOM 932 O GLN A 64 8.069 3.624 -7.348 1.00 0.29 O ATOM 933 CB GLN A 64 7.449 6.885 -7.433 1.00 0.31 C ATOM 934 CG GLN A 64 6.892 8.115 -8.121 1.00 0.35 C ATOM 935 CD GLN A 64 7.399 9.408 -7.516 1.00 0.42 C ATOM 936 OE1 GLN A 64 8.461 9.904 -7.887 1.00 0.61 O ATOM 937 NE2 GLN A 64 6.625 9.975 -6.604 1.00 0.35 N ATOM 0 H GLN A 64 4.972 6.153 -7.135 1.00 0.24 H new ATOM 0 HA GLN A 64 7.170 5.373 -8.945 1.00 0.27 H new ATOM 0 HB2 GLN A 64 7.284 6.970 -6.359 1.00 0.31 H new ATOM 0 HB3 GLN A 64 8.527 6.845 -7.588 1.00 0.31 H new ATOM 0 HG2 GLN A 64 7.157 8.086 -9.178 1.00 0.35 H new ATOM 0 HG3 GLN A 64 5.804 8.095 -8.065 1.00 0.35 H new ATOM 0 HE21 GLN A 64 5.752 9.527 -6.327 1.00 0.35 H new ATOM 0 HE22 GLN A 64 6.902 10.860 -6.179 1.00 0.35 H new ATOM 946 N ARG A 65 6.628 4.457 -5.839 1.00 0.26 N ATOM 947 CA ARG A 65 7.063 3.602 -4.748 1.00 0.28 C ATOM 948 C ARG A 65 6.308 2.281 -4.657 1.00 0.27 C ATOM 949 O ARG A 65 6.896 1.273 -4.287 1.00 0.32 O ATOM 950 CB ARG A 65 6.918 4.370 -3.446 1.00 0.33 C ATOM 951 CG ARG A 65 7.655 5.697 -3.464 1.00 0.37 C ATOM 952 CD ARG A 65 9.130 5.505 -3.794 1.00 0.43 C ATOM 953 NE ARG A 65 9.933 6.688 -3.491 1.00 0.58 N ATOM 954 CZ ARG A 65 10.781 7.265 -4.347 1.00 0.66 C ATOM 955 NH1 ARG A 65 10.931 6.786 -5.574 1.00 0.59 N ATOM 956 NH2 ARG A 65 11.493 8.318 -3.965 1.00 0.86 N ATOM 0 H ARG A 65 5.825 5.045 -5.615 1.00 0.26 H new ATOM 0 HA ARG A 65 8.102 3.336 -4.942 1.00 0.28 H new ATOM 0 HB2 ARG A 65 5.861 4.549 -3.250 1.00 0.33 H new ATOM 0 HB3 ARG A 65 7.296 3.760 -2.625 1.00 0.33 H new ATOM 0 HG2 ARG A 65 7.199 6.359 -4.200 1.00 0.37 H new ATOM 0 HG3 ARG A 65 7.557 6.183 -2.493 1.00 0.37 H new ATOM 0 HD2 ARG A 65 9.516 4.655 -3.232 1.00 0.43 H new ATOM 0 HD3 ARG A 65 9.233 5.262 -4.851 1.00 0.43 H new ATOM 0 HE ARG A 65 9.840 7.101 -2.563 1.00 0.58 H new ATOM 0 HH11 ARG A 65 10.396 5.970 -5.872 1.00 0.59 H new ATOM 0 HH12 ARG A 65 11.581 7.234 -6.220 1.00 0.59 H new ATOM 0 HH21 ARG A 65 11.392 8.686 -3.019 1.00 0.86 H new ATOM 0 HH22 ARG A 65 12.141 8.760 -4.618 1.00 0.86 H new ATOM 970 N SER A 66 5.015 2.284 -4.957 1.00 0.25 N ATOM 971 CA SER A 66 4.220 1.062 -4.842 1.00 0.25 C ATOM 972 C SER A 66 4.730 0.002 -5.808 1.00 0.23 C ATOM 973 O SER A 66 4.703 0.187 -7.027 1.00 0.24 O ATOM 974 CB SER A 66 2.722 1.319 -5.075 1.00 0.24 C ATOM 975 OG SER A 66 2.425 1.548 -6.440 1.00 0.82 O ATOM 0 H SER A 66 4.499 3.103 -5.277 1.00 0.25 H new ATOM 0 HA SER A 66 4.333 0.700 -3.820 1.00 0.25 H new ATOM 0 HB2 SER A 66 2.149 0.463 -4.719 1.00 0.24 H new ATOM 0 HB3 SER A 66 2.407 2.181 -4.487 1.00 0.24 H new ATOM 0 HG SER A 66 3.009 2.254 -6.788 1.00 0.82 H new ATOM 981 N ASP A 67 5.207 -1.098 -5.254 1.00 0.25 N ATOM 982 CA ASP A 67 5.753 -2.180 -6.052 1.00 0.28 C ATOM 983 C ASP A 67 4.651 -3.079 -6.589 1.00 0.31 C ATOM 984 O ASP A 67 4.915 -4.072 -7.264 1.00 0.48 O ATOM 985 CB ASP A 67 6.755 -2.991 -5.239 1.00 0.39 C ATOM 986 CG ASP A 67 7.840 -2.119 -4.654 1.00 1.59 C ATOM 987 OD1 ASP A 67 8.312 -1.212 -5.363 1.00 1.91 O ATOM 988 OD2 ASP A 67 8.242 -2.356 -3.504 1.00 2.28 O ATOM 0 H ASP A 67 5.227 -1.266 -4.248 1.00 0.25 H new ATOM 0 HA ASP A 67 6.271 -1.739 -6.904 1.00 0.28 H new ATOM 0 HB2 ASP A 67 6.234 -3.511 -4.435 1.00 0.39 H new ATOM 0 HB3 ASP A 67 7.205 -3.754 -5.874 1.00 0.39 H new ATOM 993 N CYS A 68 3.418 -2.734 -6.267 1.00 0.24 N ATOM 994 CA CYS A 68 2.262 -3.398 -6.844 1.00 0.26 C ATOM 995 C CYS A 68 2.009 -2.873 -8.252 1.00 0.27 C ATOM 996 O CYS A 68 2.650 -1.918 -8.687 1.00 0.38 O ATOM 997 CB CYS A 68 1.022 -3.169 -5.979 1.00 0.29 C ATOM 998 SG CYS A 68 0.738 -4.414 -4.702 1.00 1.52 S ATOM 0 H CYS A 68 3.190 -1.993 -5.605 1.00 0.24 H new ATOM 0 HA CYS A 68 2.466 -4.468 -6.888 1.00 0.26 H new ATOM 0 HB2 CYS A 68 1.107 -2.193 -5.501 1.00 0.29 H new ATOM 0 HB3 CYS A 68 0.147 -3.131 -6.628 1.00 0.29 H new ATOM 0 HG CYS A 68 -0.281 -5.150 -5.033 1.00 1.52 H new ATOM 1004 N GLY A 69 1.063 -3.482 -8.949 1.00 0.26 N ATOM 1005 CA GLY A 69 0.740 -3.049 -10.297 1.00 0.25 C ATOM 1006 C GLY A 69 0.068 -1.690 -10.312 1.00 0.22 C ATOM 1007 O GLY A 69 0.015 -1.017 -11.343 1.00 0.25 O ATOM 0 H GLY A 69 0.511 -4.269 -8.608 1.00 0.26 H new ATOM 0 HA2 GLY A 69 1.652 -3.009 -10.893 1.00 0.25 H new ATOM 0 HA3 GLY A 69 0.084 -3.783 -10.766 1.00 0.25 H new ATOM 1011 N SER A 70 -0.422 -1.278 -9.149 1.00 0.21 N ATOM 1012 CA SER A 70 -1.112 -0.011 -8.999 1.00 0.24 C ATOM 1013 C SER A 70 -0.189 1.194 -9.231 1.00 0.22 C ATOM 1014 O SER A 70 -0.660 2.328 -9.251 1.00 0.25 O ATOM 1015 CB SER A 70 -1.737 0.051 -7.605 1.00 0.31 C ATOM 1016 OG SER A 70 -0.752 -0.120 -6.595 1.00 0.32 O ATOM 0 H SER A 70 -0.350 -1.816 -8.285 1.00 0.21 H new ATOM 0 HA SER A 70 -1.888 0.045 -9.762 1.00 0.24 H new ATOM 0 HB2 SER A 70 -2.238 1.009 -7.470 1.00 0.31 H new ATOM 0 HB3 SER A 70 -2.498 -0.723 -7.510 1.00 0.31 H new ATOM 0 HG SER A 70 -1.033 0.349 -5.782 1.00 0.32 H new ATOM 1022 N TYR A 71 1.113 0.961 -9.421 1.00 0.20 N ATOM 1023 CA TYR A 71 2.053 2.054 -9.697 1.00 0.20 C ATOM 1024 C TYR A 71 1.658 2.783 -10.984 1.00 0.22 C ATOM 1025 O TYR A 71 1.965 3.956 -11.165 1.00 0.29 O ATOM 1026 CB TYR A 71 3.503 1.537 -9.818 1.00 0.21 C ATOM 1027 CG TYR A 71 3.802 0.792 -11.106 1.00 0.25 C ATOM 1028 CD1 TYR A 71 3.524 -0.562 -11.235 1.00 0.27 C ATOM 1029 CD2 TYR A 71 4.371 1.448 -12.191 1.00 0.35 C ATOM 1030 CE1 TYR A 71 3.802 -1.240 -12.406 1.00 0.36 C ATOM 1031 CE2 TYR A 71 4.651 0.777 -13.365 1.00 0.44 C ATOM 1032 CZ TYR A 71 4.365 -0.565 -13.468 1.00 0.43 C ATOM 1033 OH TYR A 71 4.645 -1.237 -14.638 1.00 0.54 O ATOM 0 H TYR A 71 1.538 0.034 -9.389 1.00 0.20 H new ATOM 0 HA TYR A 71 2.006 2.747 -8.857 1.00 0.20 H new ATOM 0 HB2 TYR A 71 4.185 2.384 -9.737 1.00 0.21 H new ATOM 0 HB3 TYR A 71 3.711 0.878 -8.975 1.00 0.21 H new ATOM 0 HD1 TYR A 71 3.083 -1.095 -10.405 1.00 0.27 H new ATOM 0 HD2 TYR A 71 4.598 2.501 -12.115 1.00 0.35 H new ATOM 0 HE1 TYR A 71 3.579 -2.294 -12.489 1.00 0.36 H new ATOM 0 HE2 TYR A 71 5.092 1.303 -14.199 1.00 0.44 H new ATOM 0 HH TYR A 71 5.038 -0.616 -15.286 1.00 0.54 H new ATOM 1043 N ALA A 72 0.967 2.083 -11.877 1.00 0.24 N ATOM 1044 CA ALA A 72 0.535 2.675 -13.133 1.00 0.30 C ATOM 1045 C ALA A 72 -0.885 3.214 -13.007 1.00 0.36 C ATOM 1046 O ALA A 72 -1.427 3.807 -13.938 1.00 0.49 O ATOM 1047 CB ALA A 72 0.628 1.655 -14.257 1.00 0.38 C ATOM 0 H ALA A 72 0.696 1.108 -11.753 1.00 0.24 H new ATOM 0 HA ALA A 72 1.195 3.509 -13.372 1.00 0.30 H new ATOM 0 HB1 ALA A 72 0.301 2.112 -15.191 1.00 0.38 H new ATOM 0 HB2 ALA A 72 1.660 1.319 -14.359 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -0.011 0.802 -14.028 1.00 0.38 H new ATOM 1053 N SER A 73 -1.479 3.010 -11.839 1.00 0.32 N ATOM 1054 CA SER A 73 -2.846 3.432 -11.588 1.00 0.44 C ATOM 1055 C SER A 73 -2.893 4.484 -10.482 1.00 0.49 C ATOM 1056 O SER A 73 -3.966 4.841 -9.994 1.00 0.71 O ATOM 1057 CB SER A 73 -3.690 2.221 -11.186 1.00 0.47 C ATOM 1058 OG SER A 73 -3.467 1.133 -12.066 1.00 0.62 O ATOM 0 H SER A 73 -1.030 2.551 -11.047 1.00 0.32 H new ATOM 0 HA SER A 73 -3.248 3.873 -12.500 1.00 0.44 H new ATOM 0 HB2 SER A 73 -3.445 1.925 -10.166 1.00 0.47 H new ATOM 0 HB3 SER A 73 -4.746 2.490 -11.195 1.00 0.47 H new ATOM 0 HG SER A 73 -4.016 0.370 -11.788 1.00 0.62 H new ATOM 1064 N GLY A 74 -1.722 4.971 -10.083 1.00 0.41 N ATOM 1065 CA GLY A 74 -1.645 5.935 -9.000 1.00 0.54 C ATOM 1066 C GLY A 74 -2.020 5.322 -7.665 1.00 0.45 C ATOM 1067 O GLY A 74 -2.529 6.002 -6.779 1.00 0.49 O ATOM 0 H GLY A 74 -0.823 4.715 -10.491 1.00 0.41 H new ATOM 0 HA2 GLY A 74 -0.633 6.336 -8.943 1.00 0.54 H new ATOM 0 HA3 GLY A 74 -2.308 6.773 -9.213 1.00 0.54 H new ATOM 1071 N GLY A 75 -1.786 4.023 -7.531 1.00 0.35 N ATOM 1072 CA GLY A 75 -2.126 3.321 -6.306 1.00 0.32 C ATOM 1073 C GLY A 75 -3.579 2.903 -6.269 1.00 0.20 C ATOM 1074 O GLY A 75 -3.950 1.972 -5.550 1.00 0.21 O ATOM 0 H GLY A 75 -1.364 3.439 -8.253 1.00 0.35 H new ATOM 0 HA2 GLY A 75 -1.494 2.439 -6.208 1.00 0.32 H new ATOM 0 HA3 GLY A 75 -1.913 3.963 -5.451 1.00 0.32 H new ATOM 1078 N ASP A 76 -4.391 3.574 -7.071 1.00 0.35 N ATOM 1079 CA ASP A 76 -5.833 3.382 -7.060 1.00 0.39 C ATOM 1080 C ASP A 76 -6.213 2.057 -7.683 1.00 0.32 C ATOM 1081 O ASP A 76 -5.676 1.672 -8.723 1.00 0.36 O ATOM 1082 CB ASP A 76 -6.522 4.487 -7.838 1.00 0.63 C ATOM 1083 CG ASP A 76 -7.973 4.668 -7.447 1.00 0.77 C ATOM 1084 OD1 ASP A 76 -8.235 5.313 -6.415 1.00 1.65 O ATOM 1085 OD2 ASP A 76 -8.859 4.196 -8.190 1.00 0.80 O ATOM 0 H ASP A 76 -4.069 4.266 -7.747 1.00 0.35 H new ATOM 0 HA ASP A 76 -6.152 3.399 -6.018 1.00 0.39 H new ATOM 0 HB2 ASP A 76 -5.988 5.424 -7.678 1.00 0.63 H new ATOM 0 HB3 ASP A 76 -6.463 4.265 -8.904 1.00 0.63 H new ATOM 1090 N LEU A 77 -7.138 1.367 -7.050 1.00 0.32 N ATOM 1091 CA LEU A 77 -7.673 0.140 -7.599 1.00 0.30 C ATOM 1092 C LEU A 77 -9.151 0.306 -7.899 1.00 0.32 C ATOM 1093 O LEU A 77 -9.781 1.271 -7.465 1.00 0.35 O ATOM 1094 CB LEU A 77 -7.451 -1.032 -6.643 1.00 0.32 C ATOM 1095 CG LEU A 77 -6.311 -1.986 -7.011 1.00 0.54 C ATOM 1096 CD1 LEU A 77 -5.042 -1.219 -7.361 1.00 0.94 C ATOM 1097 CD2 LEU A 77 -6.055 -2.956 -5.863 1.00 0.94 C ATOM 0 H LEU A 77 -7.536 1.637 -6.151 1.00 0.32 H new ATOM 0 HA LEU A 77 -7.145 -0.079 -8.527 1.00 0.30 H new ATOM 0 HB2 LEU A 77 -7.258 -0.633 -5.647 1.00 0.32 H new ATOM 0 HB3 LEU A 77 -8.375 -1.607 -6.582 1.00 0.32 H new ATOM 0 HG LEU A 77 -6.607 -2.553 -7.894 1.00 0.54 H new ATOM 0 HD11 LEU A 77 -4.250 -1.923 -7.618 1.00 0.94 H new ATOM 0 HD12 LEU A 77 -5.235 -0.564 -8.211 1.00 0.94 H new ATOM 0 HD13 LEU A 77 -4.731 -0.620 -6.505 1.00 0.94 H new ATOM 0 HD21 LEU A 77 -5.243 -3.632 -6.132 1.00 0.94 H new ATOM 0 HD22 LEU A 77 -5.781 -2.397 -4.968 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -6.958 -3.534 -5.667 1.00 0.94 H new ATOM 1109 N GLY A 78 -9.684 -0.636 -8.644 1.00 0.37 N ATOM 1110 CA GLY A 78 -11.072 -0.576 -9.059 1.00 0.39 C ATOM 1111 C GLY A 78 -12.036 -1.057 -7.989 1.00 0.34 C ATOM 1112 O GLY A 78 -11.784 -0.895 -6.797 1.00 0.44 O ATOM 0 H GLY A 78 -9.178 -1.456 -8.977 1.00 0.37 H new ATOM 0 HA2 GLY A 78 -11.320 0.451 -9.328 1.00 0.39 H new ATOM 0 HA3 GLY A 78 -11.203 -1.181 -9.956 1.00 0.39 H new ATOM 1116 N PHE A 79 -13.147 -1.638 -8.418 1.00 0.47 N ATOM 1117 CA PHE A 79 -14.159 -2.129 -7.496 1.00 0.46 C ATOM 1118 C PHE A 79 -14.025 -3.633 -7.294 1.00 0.45 C ATOM 1119 O PHE A 79 -13.692 -4.370 -8.222 1.00 0.61 O ATOM 1120 CB PHE A 79 -15.555 -1.778 -8.009 1.00 0.61 C ATOM 1121 CG PHE A 79 -15.761 -0.301 -8.178 1.00 1.69 C ATOM 1122 CD1 PHE A 79 -16.149 0.484 -7.106 1.00 2.78 C ATOM 1123 CD2 PHE A 79 -15.552 0.302 -9.407 1.00 1.73 C ATOM 1124 CE1 PHE A 79 -16.324 1.845 -7.257 1.00 3.87 C ATOM 1125 CE2 PHE A 79 -15.723 1.661 -9.564 1.00 2.78 C ATOM 1126 CZ PHE A 79 -16.109 2.433 -8.488 1.00 3.85 C ATOM 0 H PHE A 79 -13.370 -1.781 -9.403 1.00 0.47 H new ATOM 0 HA PHE A 79 -14.009 -1.645 -6.531 1.00 0.46 H new ATOM 0 HB2 PHE A 79 -15.721 -2.275 -8.965 1.00 0.61 H new ATOM 0 HB3 PHE A 79 -16.300 -2.167 -7.315 1.00 0.61 H new ATOM 0 HD1 PHE A 79 -16.317 0.027 -6.142 1.00 2.78 H new ATOM 0 HD2 PHE A 79 -15.252 -0.299 -10.252 1.00 1.73 H new ATOM 0 HE1 PHE A 79 -16.628 2.448 -6.415 1.00 3.87 H new ATOM 0 HE2 PHE A 79 -15.555 2.120 -10.527 1.00 2.78 H new ATOM 0 HZ PHE A 79 -16.243 3.498 -8.608 1.00 3.85 H new ATOM 1136 N PHE A 80 -14.287 -4.077 -6.076 1.00 0.40 N ATOM 1137 CA PHE A 80 -14.102 -5.470 -5.689 1.00 0.45 C ATOM 1138 C PHE A 80 -14.972 -5.790 -4.487 1.00 0.46 C ATOM 1139 O PHE A 80 -15.638 -4.909 -3.953 1.00 0.55 O ATOM 1140 CB PHE A 80 -12.626 -5.739 -5.360 1.00 0.45 C ATOM 1141 CG PHE A 80 -11.916 -4.556 -4.759 1.00 0.62 C ATOM 1142 CD1 PHE A 80 -12.220 -4.144 -3.475 1.00 0.89 C ATOM 1143 CD2 PHE A 80 -10.933 -3.874 -5.460 1.00 1.01 C ATOM 1144 CE1 PHE A 80 -11.565 -3.073 -2.905 1.00 1.19 C ATOM 1145 CE2 PHE A 80 -10.273 -2.803 -4.887 1.00 1.28 C ATOM 1146 CZ PHE A 80 -10.623 -2.346 -3.690 1.00 1.31 C ATOM 0 H PHE A 80 -14.635 -3.482 -5.324 1.00 0.40 H new ATOM 0 HA PHE A 80 -14.395 -6.110 -6.521 1.00 0.45 H new ATOM 0 HB2 PHE A 80 -12.564 -6.579 -4.668 1.00 0.45 H new ATOM 0 HB3 PHE A 80 -12.108 -6.038 -6.271 1.00 0.45 H new ATOM 0 HD1 PHE A 80 -12.979 -4.667 -2.912 1.00 0.89 H new ATOM 0 HD2 PHE A 80 -10.680 -4.183 -6.464 1.00 1.01 H new ATOM 0 HE1 PHE A 80 -11.762 -2.790 -1.882 1.00 1.19 H new ATOM 0 HE2 PHE A 80 -9.461 -2.331 -5.420 1.00 1.28 H new ATOM 0 HZ PHE A 80 -10.196 -1.428 -3.313 1.00 1.31 H new ATOM 1156 N SER A 81 -14.985 -7.044 -4.080 1.00 0.50 N ATOM 1157 CA SER A 81 -15.706 -7.449 -2.892 1.00 0.55 C ATOM 1158 C SER A 81 -14.708 -7.681 -1.765 1.00 0.52 C ATOM 1159 O SER A 81 -13.627 -8.223 -1.993 1.00 0.54 O ATOM 1160 CB SER A 81 -16.496 -8.729 -3.166 1.00 0.69 C ATOM 1161 OG SER A 81 -17.305 -8.591 -4.323 1.00 1.17 O ATOM 0 H SER A 81 -14.501 -7.803 -4.559 1.00 0.50 H new ATOM 0 HA SER A 81 -16.408 -6.666 -2.605 1.00 0.55 H new ATOM 0 HB2 SER A 81 -15.808 -9.564 -3.297 1.00 0.69 H new ATOM 0 HB3 SER A 81 -17.123 -8.965 -2.306 1.00 0.69 H new ATOM 0 HG SER A 81 -17.799 -9.423 -4.478 1.00 1.17 H new ATOM 1167 N SER A 82 -15.058 -7.256 -0.561 1.00 0.59 N ATOM 1168 CA SER A 82 -14.174 -7.416 0.578 1.00 0.63 C ATOM 1169 C SER A 82 -13.908 -8.891 0.854 1.00 0.59 C ATOM 1170 O SER A 82 -14.838 -9.693 0.984 1.00 0.63 O ATOM 1171 CB SER A 82 -14.775 -6.734 1.799 1.00 0.77 C ATOM 1172 OG SER A 82 -14.996 -5.361 1.530 1.00 1.19 O ATOM 0 H SER A 82 -15.945 -6.799 -0.350 1.00 0.59 H new ATOM 0 HA SER A 82 -13.218 -6.944 0.350 1.00 0.63 H new ATOM 0 HB2 SER A 82 -15.715 -7.216 2.068 1.00 0.77 H new ATOM 0 HB3 SER A 82 -14.105 -6.842 2.652 1.00 0.77 H new ATOM 0 HG SER A 82 -15.384 -4.931 2.320 1.00 1.19 H new ATOM 1178 N GLY A 83 -12.633 -9.233 0.928 1.00 0.58 N ATOM 1179 CA GLY A 83 -12.230 -10.605 1.118 1.00 0.62 C ATOM 1180 C GLY A 83 -11.482 -11.129 -0.087 1.00 0.64 C ATOM 1181 O GLY A 83 -10.974 -12.251 -0.075 1.00 0.79 O ATOM 0 H GLY A 83 -11.860 -8.571 0.858 1.00 0.58 H new ATOM 0 HA2 GLY A 83 -11.598 -10.682 2.003 1.00 0.62 H new ATOM 0 HA3 GLY A 83 -13.109 -11.223 1.300 1.00 0.62 H new ATOM 1185 N GLU A 84 -11.396 -10.306 -1.126 1.00 0.58 N ATOM 1186 CA GLU A 84 -10.702 -10.692 -2.345 1.00 0.62 C ATOM 1187 C GLU A 84 -9.266 -10.183 -2.351 1.00 0.58 C ATOM 1188 O GLU A 84 -8.563 -10.296 -3.356 1.00 0.87 O ATOM 1189 CB GLU A 84 -11.440 -10.178 -3.581 1.00 0.73 C ATOM 1190 CG GLU A 84 -12.811 -10.798 -3.757 1.00 1.17 C ATOM 1191 CD GLU A 84 -13.473 -10.410 -5.065 1.00 1.26 C ATOM 1192 OE1 GLU A 84 -13.763 -9.210 -5.273 1.00 1.55 O ATOM 1193 OE2 GLU A 84 -13.696 -11.309 -5.904 1.00 1.43 O ATOM 0 H GLU A 84 -11.798 -9.369 -1.147 1.00 0.58 H new ATOM 0 HA GLU A 84 -10.682 -11.781 -2.375 1.00 0.62 H new ATOM 0 HB2 GLU A 84 -11.544 -9.095 -3.510 1.00 0.73 H new ATOM 0 HB3 GLU A 84 -10.839 -10.383 -4.467 1.00 0.73 H new ATOM 0 HG2 GLU A 84 -12.722 -11.883 -3.709 1.00 1.17 H new ATOM 0 HG3 GLU A 84 -13.450 -10.494 -2.928 1.00 1.17 H new ATOM 1200 N MET A 85 -8.826 -9.616 -1.234 1.00 0.47 N ATOM 1201 CA MET A 85 -7.465 -9.113 -1.141 1.00 0.44 C ATOM 1202 C MET A 85 -6.601 -10.058 -0.321 1.00 0.47 C ATOM 1203 O MET A 85 -6.476 -11.238 -0.638 1.00 0.73 O ATOM 1204 CB MET A 85 -7.447 -7.720 -0.514 1.00 0.39 C ATOM 1205 CG MET A 85 -8.132 -6.660 -1.347 1.00 0.37 C ATOM 1206 SD MET A 85 -7.363 -6.448 -2.962 1.00 0.39 S ATOM 1207 CE MET A 85 -8.342 -5.096 -3.605 1.00 0.39 C ATOM 0 H MET A 85 -9.386 -9.495 -0.390 1.00 0.47 H new ATOM 0 HA MET A 85 -7.059 -9.050 -2.151 1.00 0.44 H new ATOM 0 HB2 MET A 85 -7.928 -7.767 0.463 1.00 0.39 H new ATOM 0 HB3 MET A 85 -6.412 -7.422 -0.346 1.00 0.39 H new ATOM 0 HG2 MET A 85 -9.180 -6.928 -1.480 1.00 0.37 H new ATOM 0 HG3 MET A 85 -8.111 -5.711 -0.811 1.00 0.37 H new ATOM 0 HE1 MET A 85 -8.355 -5.142 -4.694 1.00 0.39 H new ATOM 0 HE2 MET A 85 -9.361 -5.173 -3.227 1.00 0.39 H new ATOM 0 HE3 MET A 85 -7.907 -4.148 -3.287 1.00 0.39 H new ATOM 1217 N MET A 86 -6.014 -9.528 0.734 1.00 0.33 N ATOM 1218 CA MET A 86 -5.232 -10.315 1.665 1.00 0.35 C ATOM 1219 C MET A 86 -5.817 -10.119 3.046 1.00 0.40 C ATOM 1220 O MET A 86 -6.405 -9.072 3.306 1.00 0.76 O ATOM 1221 CB MET A 86 -3.768 -9.873 1.652 1.00 0.33 C ATOM 1222 CG MET A 86 -3.125 -9.918 0.274 1.00 0.43 C ATOM 1223 SD MET A 86 -1.472 -9.200 0.253 1.00 1.16 S ATOM 1224 CE MET A 86 -1.079 -9.317 -1.490 1.00 1.39 C ATOM 0 H MET A 86 -6.066 -8.537 0.970 1.00 0.33 H new ATOM 0 HA MET A 86 -5.265 -11.366 1.379 1.00 0.35 H new ATOM 0 HB2 MET A 86 -3.702 -8.857 2.041 1.00 0.33 H new ATOM 0 HB3 MET A 86 -3.200 -10.511 2.329 1.00 0.33 H new ATOM 0 HG2 MET A 86 -3.071 -10.953 -0.064 1.00 0.43 H new ATOM 0 HG3 MET A 86 -3.758 -9.384 -0.435 1.00 0.43 H new ATOM 0 HE1 MET A 86 -0.083 -8.911 -1.666 1.00 1.39 H new ATOM 0 HE2 MET A 86 -1.105 -10.362 -1.800 1.00 1.39 H new ATOM 0 HE3 MET A 86 -1.809 -8.749 -2.067 1.00 1.39 H new ATOM 1234 N LYS A 87 -5.673 -11.096 3.921 1.00 0.32 N ATOM 1235 CA LYS A 87 -6.295 -11.029 5.237 1.00 0.32 C ATOM 1236 C LYS A 87 -5.941 -9.729 5.984 1.00 0.27 C ATOM 1237 O LYS A 87 -6.846 -8.998 6.385 1.00 0.27 O ATOM 1238 CB LYS A 87 -5.940 -12.262 6.078 1.00 0.37 C ATOM 1239 CG LYS A 87 -6.534 -12.226 7.478 1.00 0.97 C ATOM 1240 CD LYS A 87 -6.340 -13.543 8.218 1.00 1.46 C ATOM 1241 CE LYS A 87 -7.115 -14.675 7.562 1.00 2.00 C ATOM 1242 NZ LYS A 87 -8.566 -14.367 7.449 1.00 2.37 N ATOM 0 H LYS A 87 -5.133 -11.944 3.749 1.00 0.32 H new ATOM 0 HA LYS A 87 -7.373 -11.022 5.079 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -6.291 -13.157 5.565 1.00 0.37 H new ATOM 0 HB3 LYS A 87 -4.856 -12.342 6.153 1.00 0.37 H new ATOM 0 HG2 LYS A 87 -6.071 -11.420 8.047 1.00 0.97 H new ATOM 0 HG3 LYS A 87 -7.598 -12.000 7.414 1.00 0.97 H new ATOM 0 HD2 LYS A 87 -5.280 -13.794 8.243 1.00 1.46 H new ATOM 0 HD3 LYS A 87 -6.665 -13.431 9.252 1.00 1.46 H new ATOM 0 HE2 LYS A 87 -6.707 -14.866 6.569 1.00 2.00 H new ATOM 0 HE3 LYS A 87 -6.983 -15.588 8.142 1.00 2.00 H new ATOM 0 HZ1 LYS A 87 -9.095 -15.245 7.272 1.00 2.37 H new ATOM 0 HZ2 LYS A 87 -8.899 -13.934 8.334 1.00 2.37 H new ATOM 0 HZ3 LYS A 87 -8.720 -13.706 6.661 1.00 2.37 H new ATOM 1256 N PRO A 88 -4.641 -9.386 6.152 1.00 0.26 N ATOM 1257 CA PRO A 88 -4.257 -8.186 6.902 1.00 0.25 C ATOM 1258 C PRO A 88 -4.551 -6.910 6.120 1.00 0.22 C ATOM 1259 O PRO A 88 -4.857 -5.865 6.696 1.00 0.25 O ATOM 1260 CB PRO A 88 -2.752 -8.359 7.105 1.00 0.27 C ATOM 1261 CG PRO A 88 -2.306 -9.191 5.954 1.00 0.27 C ATOM 1262 CD PRO A 88 -3.457 -10.103 5.623 1.00 0.27 C ATOM 0 HA PRO A 88 -4.812 -8.087 7.835 1.00 0.25 H new ATOM 0 HB2 PRO A 88 -2.241 -7.396 7.118 1.00 0.27 H new ATOM 0 HB3 PRO A 88 -2.535 -8.848 8.054 1.00 0.27 H new ATOM 0 HG2 PRO A 88 -2.047 -8.566 5.099 1.00 0.27 H new ATOM 0 HG3 PRO A 88 -1.416 -9.765 6.211 1.00 0.27 H new ATOM 0 HD2 PRO A 88 -3.538 -10.271 4.549 1.00 0.27 H new ATOM 0 HD3 PRO A 88 -3.340 -11.081 6.090 1.00 0.27 H new ATOM 1270 N PHE A 89 -4.472 -7.024 4.801 1.00 0.19 N ATOM 1271 CA PHE A 89 -4.726 -5.910 3.898 1.00 0.17 C ATOM 1272 C PHE A 89 -6.200 -5.516 3.961 1.00 0.18 C ATOM 1273 O PHE A 89 -6.534 -4.384 4.294 1.00 0.17 O ATOM 1274 CB PHE A 89 -4.334 -6.342 2.475 1.00 0.19 C ATOM 1275 CG PHE A 89 -4.529 -5.319 1.383 1.00 0.18 C ATOM 1276 CD1 PHE A 89 -5.785 -5.083 0.846 1.00 0.22 C ATOM 1277 CD2 PHE A 89 -3.447 -4.631 0.858 1.00 0.19 C ATOM 1278 CE1 PHE A 89 -5.961 -4.178 -0.185 1.00 0.22 C ATOM 1279 CE2 PHE A 89 -3.615 -3.731 -0.180 1.00 0.20 C ATOM 1280 CZ PHE A 89 -4.876 -3.503 -0.701 1.00 0.19 C ATOM 0 H PHE A 89 -4.229 -7.894 4.326 1.00 0.19 H new ATOM 0 HA PHE A 89 -4.135 -5.041 4.189 1.00 0.17 H new ATOM 0 HB2 PHE A 89 -3.284 -6.635 2.484 1.00 0.19 H new ATOM 0 HB3 PHE A 89 -4.911 -7.230 2.217 1.00 0.19 H new ATOM 0 HD1 PHE A 89 -6.639 -5.614 1.239 1.00 0.22 H new ATOM 0 HD2 PHE A 89 -2.460 -4.799 1.264 1.00 0.19 H new ATOM 0 HE1 PHE A 89 -6.948 -4.000 -0.585 1.00 0.22 H new ATOM 0 HE2 PHE A 89 -2.761 -3.207 -0.583 1.00 0.20 H new ATOM 0 HZ PHE A 89 -5.010 -2.799 -1.509 1.00 0.19 H new ATOM 1290 N GLU A 90 -7.065 -6.489 3.694 1.00 0.21 N ATOM 1291 CA GLU A 90 -8.510 -6.288 3.681 1.00 0.24 C ATOM 1292 C GLU A 90 -9.001 -5.864 5.060 1.00 0.25 C ATOM 1293 O GLU A 90 -9.929 -5.064 5.193 1.00 0.27 O ATOM 1294 CB GLU A 90 -9.195 -7.591 3.276 1.00 0.29 C ATOM 1295 CG GLU A 90 -10.631 -7.431 2.815 1.00 0.34 C ATOM 1296 CD GLU A 90 -10.743 -6.716 1.488 1.00 1.41 C ATOM 1297 OE1 GLU A 90 -10.709 -7.387 0.443 1.00 2.12 O ATOM 1298 OE2 GLU A 90 -10.849 -5.469 1.502 1.00 1.78 O ATOM 0 H GLU A 90 -6.782 -7.445 3.479 1.00 0.21 H new ATOM 0 HA GLU A 90 -8.752 -5.502 2.966 1.00 0.24 H new ATOM 0 HB2 GLU A 90 -8.619 -8.055 2.475 1.00 0.29 H new ATOM 0 HB3 GLU A 90 -9.173 -8.277 4.123 1.00 0.29 H new ATOM 0 HG2 GLU A 90 -11.093 -8.415 2.733 1.00 0.34 H new ATOM 0 HG3 GLU A 90 -11.191 -6.878 3.569 1.00 0.34 H new ATOM 1305 N ASP A 91 -8.362 -6.413 6.084 1.00 0.25 N ATOM 1306 CA ASP A 91 -8.699 -6.092 7.467 1.00 0.29 C ATOM 1307 C ASP A 91 -8.488 -4.609 7.748 1.00 0.25 C ATOM 1308 O ASP A 91 -9.186 -4.018 8.569 1.00 0.30 O ATOM 1309 CB ASP A 91 -7.862 -6.933 8.431 1.00 0.35 C ATOM 1310 CG ASP A 91 -8.151 -6.616 9.882 1.00 0.48 C ATOM 1311 OD1 ASP A 91 -9.226 -7.009 10.380 1.00 0.61 O ATOM 1312 OD2 ASP A 91 -7.301 -5.974 10.531 1.00 0.54 O ATOM 0 H ASP A 91 -7.603 -7.087 5.983 1.00 0.25 H new ATOM 0 HA ASP A 91 -9.753 -6.325 7.620 1.00 0.29 H new ATOM 0 HB2 ASP A 91 -8.057 -7.990 8.248 1.00 0.35 H new ATOM 0 HB3 ASP A 91 -6.804 -6.764 8.230 1.00 0.35 H new ATOM 1317 N ALA A 92 -7.532 -4.008 7.056 1.00 0.20 N ATOM 1318 CA ALA A 92 -7.272 -2.587 7.211 1.00 0.19 C ATOM 1319 C ALA A 92 -8.223 -1.769 6.346 1.00 0.18 C ATOM 1320 O ALA A 92 -8.559 -0.636 6.678 1.00 0.21 O ATOM 1321 CB ALA A 92 -5.828 -2.269 6.863 1.00 0.22 C ATOM 0 H ALA A 92 -6.926 -4.480 6.385 1.00 0.20 H new ATOM 0 HA ALA A 92 -7.442 -2.319 8.254 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.651 -1.200 6.985 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.163 -2.824 7.525 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -5.632 -2.554 5.829 1.00 0.22 H new ATOM 1327 N VAL A 93 -8.690 -2.373 5.257 1.00 0.18 N ATOM 1328 CA VAL A 93 -9.550 -1.684 4.303 1.00 0.19 C ATOM 1329 C VAL A 93 -10.922 -1.441 4.914 1.00 0.19 C ATOM 1330 O VAL A 93 -11.536 -0.396 4.708 1.00 0.20 O ATOM 1331 CB VAL A 93 -9.713 -2.491 2.995 1.00 0.21 C ATOM 1332 CG1 VAL A 93 -10.479 -1.690 1.959 1.00 0.25 C ATOM 1333 CG2 VAL A 93 -8.362 -2.915 2.442 1.00 0.21 C ATOM 0 H VAL A 93 -8.486 -3.342 5.014 1.00 0.18 H new ATOM 0 HA VAL A 93 -9.075 -0.733 4.064 1.00 0.19 H new ATOM 0 HB VAL A 93 -10.283 -3.390 3.229 1.00 0.21 H new ATOM 0 HG11 VAL A 93 -10.581 -2.278 1.047 1.00 0.25 H new ATOM 0 HG12 VAL A 93 -11.468 -1.446 2.346 1.00 0.25 H new ATOM 0 HG13 VAL A 93 -9.939 -0.770 1.738 1.00 0.25 H new ATOM 0 HG21 VAL A 93 -8.507 -3.481 1.522 1.00 0.21 H new ATOM 0 HG22 VAL A 93 -7.761 -2.030 2.233 1.00 0.21 H new ATOM 0 HG23 VAL A 93 -7.848 -3.538 3.174 1.00 0.21 H new ATOM 1343 N ARG A 94 -11.390 -2.408 5.685 1.00 0.23 N ATOM 1344 CA ARG A 94 -12.676 -2.288 6.352 1.00 0.27 C ATOM 1345 C ARG A 94 -12.559 -1.416 7.597 1.00 0.25 C ATOM 1346 O ARG A 94 -13.562 -0.977 8.156 1.00 0.32 O ATOM 1347 CB ARG A 94 -13.232 -3.679 6.705 1.00 0.41 C ATOM 1348 CG ARG A 94 -12.353 -4.511 7.638 1.00 0.59 C ATOM 1349 CD ARG A 94 -12.502 -4.096 9.097 1.00 1.03 C ATOM 1350 NE ARG A 94 -11.610 -4.850 9.973 1.00 0.98 N ATOM 1351 CZ ARG A 94 -11.634 -4.791 11.303 1.00 1.69 C ATOM 1352 NH1 ARG A 94 -12.476 -3.977 11.927 1.00 2.59 N ATOM 1353 NH2 ARG A 94 -10.802 -5.543 12.007 1.00 1.70 N ATOM 0 H ARG A 94 -10.900 -3.284 5.865 1.00 0.23 H new ATOM 0 HA ARG A 94 -13.375 -1.806 5.668 1.00 0.27 H new ATOM 0 HB2 ARG A 94 -14.211 -3.555 7.168 1.00 0.41 H new ATOM 0 HB3 ARG A 94 -13.385 -4.237 5.781 1.00 0.41 H new ATOM 0 HG2 ARG A 94 -12.612 -5.565 7.534 1.00 0.59 H new ATOM 0 HG3 ARG A 94 -11.310 -4.408 7.338 1.00 0.59 H new ATOM 0 HD2 ARG A 94 -12.291 -3.031 9.195 1.00 1.03 H new ATOM 0 HD3 ARG A 94 -13.534 -4.247 9.413 1.00 1.03 H new ATOM 0 HE ARG A 94 -10.922 -5.464 9.537 1.00 0.98 H new ATOM 0 HH11 ARG A 94 -13.112 -3.390 11.387 1.00 2.59 H new ATOM 0 HH12 ARG A 94 -12.487 -3.939 12.946 1.00 2.59 H new ATOM 0 HH21 ARG A 94 -10.147 -6.163 11.530 1.00 1.70 H new ATOM 0 HH22 ARG A 94 -10.816 -5.502 13.026 1.00 1.70 H new ATOM 1367 N ALA A 95 -11.326 -1.162 8.018 1.00 0.23 N ATOM 1368 CA ALA A 95 -11.071 -0.421 9.245 1.00 0.25 C ATOM 1369 C ALA A 95 -11.116 1.081 8.994 1.00 0.26 C ATOM 1370 O ALA A 95 -11.139 1.884 9.929 1.00 0.47 O ATOM 1371 CB ALA A 95 -9.731 -0.830 9.836 1.00 0.26 C ATOM 0 H ALA A 95 -10.484 -1.460 7.525 1.00 0.23 H new ATOM 0 HA ALA A 95 -11.855 -0.662 9.962 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -9.551 -0.269 10.753 1.00 0.26 H new ATOM 0 HB2 ALA A 95 -9.742 -1.897 10.059 1.00 0.26 H new ATOM 0 HB3 ALA A 95 -8.937 -0.618 9.120 1.00 0.26 H new ATOM 1377 N LEU A 96 -11.142 1.452 7.727 1.00 0.19 N ATOM 1378 CA LEU A 96 -11.192 2.851 7.340 1.00 0.19 C ATOM 1379 C LEU A 96 -12.329 3.100 6.379 1.00 0.21 C ATOM 1380 O LEU A 96 -12.652 2.252 5.556 1.00 0.28 O ATOM 1381 CB LEU A 96 -9.869 3.275 6.707 1.00 0.28 C ATOM 1382 CG LEU A 96 -9.193 2.231 5.824 1.00 0.15 C ATOM 1383 CD1 LEU A 96 -9.760 2.247 4.417 1.00 0.27 C ATOM 1384 CD2 LEU A 96 -7.706 2.469 5.791 1.00 0.28 C ATOM 0 H LEU A 96 -11.129 0.799 6.943 1.00 0.19 H new ATOM 0 HA LEU A 96 -11.361 3.446 8.237 1.00 0.19 H new ATOM 0 HB2 LEU A 96 -10.043 4.170 6.111 1.00 0.28 H new ATOM 0 HB3 LEU A 96 -9.179 3.552 7.504 1.00 0.28 H new ATOM 0 HG LEU A 96 -9.389 1.248 6.251 1.00 0.15 H new ATOM 0 HD11 LEU A 96 -9.257 1.492 3.813 1.00 0.27 H new ATOM 0 HD12 LEU A 96 -10.828 2.031 4.453 1.00 0.27 H new ATOM 0 HD13 LEU A 96 -9.603 3.230 3.973 1.00 0.27 H new ATOM 0 HD21 LEU A 96 -7.231 1.719 5.158 1.00 0.28 H new ATOM 0 HD22 LEU A 96 -7.505 3.462 5.389 1.00 0.28 H new ATOM 0 HD23 LEU A 96 -7.304 2.398 6.802 1.00 0.28 H new ATOM 1396 N LYS A 97 -12.934 4.261 6.487 1.00 0.24 N ATOM 1397 CA LYS A 97 -14.021 4.628 5.605 1.00 0.31 C ATOM 1398 C LYS A 97 -13.457 5.397 4.414 1.00 0.28 C ATOM 1399 O LYS A 97 -12.258 5.678 4.376 1.00 0.25 O ATOM 1400 CB LYS A 97 -15.057 5.468 6.366 1.00 0.42 C ATOM 1401 CG LYS A 97 -16.404 5.580 5.669 1.00 0.62 C ATOM 1402 CD LYS A 97 -17.070 4.220 5.513 1.00 0.97 C ATOM 1403 CE LYS A 97 -18.412 4.331 4.809 1.00 1.02 C ATOM 1404 NZ LYS A 97 -19.380 5.162 5.571 1.00 1.61 N ATOM 0 H LYS A 97 -12.692 4.970 7.179 1.00 0.24 H new ATOM 0 HA LYS A 97 -14.523 3.732 5.240 1.00 0.31 H new ATOM 0 HB2 LYS A 97 -15.207 5.032 7.354 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -14.655 6.470 6.518 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -17.056 6.241 6.240 1.00 0.62 H new ATOM 0 HG3 LYS A 97 -16.270 6.035 4.687 1.00 0.62 H new ATOM 0 HD2 LYS A 97 -16.416 3.557 4.947 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -17.210 3.768 6.495 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -18.266 4.763 3.819 1.00 1.02 H new ATOM 0 HE3 LYS A 97 -18.828 3.334 4.664 1.00 1.02 H new ATOM 0 HZ1 LYS A 97 -20.331 5.046 5.166 1.00 1.61 H new ATOM 0 HZ2 LYS A 97 -19.388 4.860 6.566 1.00 1.61 H new ATOM 0 HZ3 LYS A 97 -19.099 6.162 5.515 1.00 1.61 H new ATOM 1418 N ILE A 98 -14.302 5.690 3.431 1.00 0.32 N ATOM 1419 CA ILE A 98 -13.904 6.488 2.274 1.00 0.32 C ATOM 1420 C ILE A 98 -13.112 7.726 2.689 1.00 0.32 C ATOM 1421 O ILE A 98 -13.630 8.608 3.379 1.00 0.37 O ATOM 1422 CB ILE A 98 -15.134 6.934 1.456 1.00 0.38 C ATOM 1423 CG1 ILE A 98 -15.932 5.716 0.990 1.00 0.41 C ATOM 1424 CG2 ILE A 98 -14.706 7.786 0.269 1.00 0.50 C ATOM 1425 CD1 ILE A 98 -17.214 6.065 0.264 1.00 0.90 C ATOM 0 H ILE A 98 -15.275 5.384 3.412 1.00 0.32 H new ATOM 0 HA ILE A 98 -13.269 5.850 1.659 1.00 0.32 H new ATOM 0 HB ILE A 98 -15.775 7.541 2.095 1.00 0.38 H new ATOM 0 HG12 ILE A 98 -15.306 5.113 0.332 1.00 0.41 H new ATOM 0 HG13 ILE A 98 -16.172 5.098 1.855 1.00 0.41 H new ATOM 0 HG21 ILE A 98 -15.587 8.091 -0.296 1.00 0.50 H new ATOM 0 HG22 ILE A 98 -14.180 8.671 0.627 1.00 0.50 H new ATOM 0 HG23 ILE A 98 -14.044 7.207 -0.375 1.00 0.50 H new ATOM 0 HD11 ILE A 98 -17.724 5.149 -0.035 1.00 0.90 H new ATOM 0 HD12 ILE A 98 -17.861 6.641 0.925 1.00 0.90 H new ATOM 0 HD13 ILE A 98 -16.981 6.656 -0.622 1.00 0.90 H new ATOM 1437 N GLY A 99 -11.855 7.774 2.273 1.00 0.30 N ATOM 1438 CA GLY A 99 -11.017 8.921 2.563 1.00 0.32 C ATOM 1439 C GLY A 99 -9.970 8.659 3.635 1.00 0.32 C ATOM 1440 O GLY A 99 -9.058 9.463 3.816 1.00 0.46 O ATOM 0 H GLY A 99 -11.398 7.036 1.737 1.00 0.30 H new ATOM 0 HA2 GLY A 99 -10.516 9.234 1.647 1.00 0.32 H new ATOM 0 HA3 GLY A 99 -11.649 9.750 2.880 1.00 0.32 H new ATOM 1444 N ASP A 100 -10.087 7.546 4.349 1.00 0.21 N ATOM 1445 CA ASP A 100 -9.147 7.242 5.427 1.00 0.19 C ATOM 1446 C ASP A 100 -8.061 6.288 4.955 1.00 0.15 C ATOM 1447 O ASP A 100 -8.298 5.445 4.090 1.00 0.15 O ATOM 1448 CB ASP A 100 -9.875 6.653 6.634 1.00 0.22 C ATOM 1449 CG ASP A 100 -10.701 7.680 7.372 1.00 0.32 C ATOM 1450 OD1 ASP A 100 -10.122 8.470 8.139 1.00 0.46 O ATOM 1451 OD2 ASP A 100 -11.937 7.705 7.186 1.00 0.37 O ATOM 0 H ASP A 100 -10.814 6.845 4.206 1.00 0.21 H new ATOM 0 HA ASP A 100 -8.676 8.178 5.726 1.00 0.19 H new ATOM 0 HB2 ASP A 100 -10.523 5.841 6.303 1.00 0.22 H new ATOM 0 HB3 ASP A 100 -9.145 6.220 7.318 1.00 0.22 H new ATOM 1456 N ILE A 101 -6.872 6.423 5.540 1.00 0.18 N ATOM 1457 CA ILE A 101 -5.705 5.656 5.117 1.00 0.16 C ATOM 1458 C ILE A 101 -5.232 4.722 6.234 1.00 0.16 C ATOM 1459 O ILE A 101 -5.377 5.028 7.417 1.00 0.18 O ATOM 1460 CB ILE A 101 -4.540 6.593 4.732 1.00 0.19 C ATOM 1461 CG1 ILE A 101 -5.053 7.770 3.897 1.00 0.23 C ATOM 1462 CG2 ILE A 101 -3.471 5.828 3.960 1.00 0.19 C ATOM 1463 CD1 ILE A 101 -4.005 8.831 3.644 1.00 0.21 C ATOM 0 H ILE A 101 -6.693 7.062 6.314 1.00 0.18 H new ATOM 0 HA ILE A 101 -6.002 5.067 4.249 1.00 0.16 H new ATOM 0 HB ILE A 101 -4.096 6.982 5.649 1.00 0.19 H new ATOM 0 HG12 ILE A 101 -5.418 7.395 2.941 1.00 0.23 H new ATOM 0 HG13 ILE A 101 -5.903 8.224 4.407 1.00 0.23 H new ATOM 0 HG21 ILE A 101 -2.658 6.505 3.697 1.00 0.19 H new ATOM 0 HG22 ILE A 101 -3.084 5.019 4.579 1.00 0.19 H new ATOM 0 HG23 ILE A 101 -3.906 5.413 3.051 1.00 0.19 H new ATOM 0 HD11 ILE A 101 -4.437 9.634 3.047 1.00 0.21 H new ATOM 0 HD12 ILE A 101 -3.657 9.233 4.596 1.00 0.21 H new ATOM 0 HD13 ILE A 101 -3.165 8.391 3.107 1.00 0.21 H new ATOM 1475 N SER A 102 -4.665 3.589 5.842 1.00 0.16 N ATOM 1476 CA SER A 102 -4.195 2.580 6.782 1.00 0.19 C ATOM 1477 C SER A 102 -2.823 2.942 7.320 1.00 0.18 C ATOM 1478 O SER A 102 -2.043 3.619 6.646 1.00 0.22 O ATOM 1479 CB SER A 102 -4.083 1.218 6.089 1.00 0.25 C ATOM 1480 OG SER A 102 -5.227 0.924 5.314 1.00 0.92 O ATOM 0 H SER A 102 -4.518 3.343 4.863 1.00 0.16 H new ATOM 0 HA SER A 102 -4.915 2.534 7.599 1.00 0.19 H new ATOM 0 HB2 SER A 102 -3.200 1.207 5.450 1.00 0.25 H new ATOM 0 HB3 SER A 102 -3.943 0.440 6.839 1.00 0.25 H new ATOM 0 HG SER A 102 -5.259 1.522 4.538 1.00 0.92 H new ATOM 1486 N PRO A 103 -2.518 2.508 8.545 1.00 0.21 N ATOM 1487 CA PRO A 103 -1.154 2.528 9.059 1.00 0.23 C ATOM 1488 C PRO A 103 -0.331 1.427 8.397 1.00 0.20 C ATOM 1489 O PRO A 103 -0.896 0.542 7.751 1.00 0.27 O ATOM 1490 CB PRO A 103 -1.334 2.252 10.552 1.00 0.31 C ATOM 1491 CG PRO A 103 -2.600 1.476 10.644 1.00 0.34 C ATOM 1492 CD PRO A 103 -3.479 1.976 9.530 1.00 0.28 C ATOM 0 HA PRO A 103 -0.629 3.463 8.865 1.00 0.23 H new ATOM 0 HB2 PRO A 103 -0.493 1.687 10.954 1.00 0.31 H new ATOM 0 HB3 PRO A 103 -1.396 3.179 11.121 1.00 0.31 H new ATOM 0 HG2 PRO A 103 -2.410 0.408 10.541 1.00 0.34 H new ATOM 0 HG3 PRO A 103 -3.077 1.623 11.613 1.00 0.34 H new ATOM 0 HD2 PRO A 103 -4.085 1.175 9.107 1.00 0.28 H new ATOM 0 HD3 PRO A 103 -4.167 2.747 9.877 1.00 0.28 H new ATOM 1500 N ILE A 104 0.991 1.505 8.529 1.00 0.17 N ATOM 1501 CA ILE A 104 1.891 0.489 7.971 1.00 0.15 C ATOM 1502 C ILE A 104 1.415 -0.932 8.285 1.00 0.14 C ATOM 1503 O ILE A 104 1.485 -1.382 9.429 1.00 0.20 O ATOM 1504 CB ILE A 104 3.326 0.637 8.519 1.00 0.15 C ATOM 1505 CG1 ILE A 104 3.769 2.102 8.495 1.00 0.17 C ATOM 1506 CG2 ILE A 104 4.287 -0.230 7.714 1.00 0.15 C ATOM 1507 CD1 ILE A 104 3.722 2.737 7.124 1.00 0.17 C ATOM 0 H ILE A 104 1.468 2.262 9.019 1.00 0.17 H new ATOM 0 HA ILE A 104 1.884 0.649 6.893 1.00 0.15 H new ATOM 0 HB ILE A 104 3.338 0.300 9.556 1.00 0.15 H new ATOM 0 HG12 ILE A 104 3.133 2.674 9.171 1.00 0.17 H new ATOM 0 HG13 ILE A 104 4.786 2.169 8.881 1.00 0.17 H new ATOM 0 HG21 ILE A 104 5.297 -0.118 8.109 1.00 0.15 H new ATOM 0 HG22 ILE A 104 3.983 -1.274 7.787 1.00 0.15 H new ATOM 0 HG23 ILE A 104 4.270 0.081 6.669 1.00 0.15 H new ATOM 0 HD11 ILE A 104 4.050 3.774 7.192 1.00 0.17 H new ATOM 0 HD12 ILE A 104 4.380 2.191 6.448 1.00 0.17 H new ATOM 0 HD13 ILE A 104 2.701 2.704 6.742 1.00 0.17 H new ATOM 1519 N VAL A 105 0.929 -1.625 7.265 1.00 0.13 N ATOM 1520 CA VAL A 105 0.504 -3.011 7.406 1.00 0.15 C ATOM 1521 C VAL A 105 1.395 -3.924 6.562 1.00 0.15 C ATOM 1522 O VAL A 105 1.465 -3.789 5.338 1.00 0.17 O ATOM 1523 CB VAL A 105 -0.994 -3.192 7.021 1.00 0.21 C ATOM 1524 CG1 VAL A 105 -1.317 -2.501 5.712 1.00 1.04 C ATOM 1525 CG2 VAL A 105 -1.378 -4.664 6.932 1.00 1.04 C ATOM 0 H VAL A 105 0.819 -1.247 6.324 1.00 0.13 H new ATOM 0 HA VAL A 105 0.607 -3.290 8.455 1.00 0.15 H new ATOM 0 HB VAL A 105 -1.579 -2.729 7.816 1.00 0.21 H new ATOM 0 HG11 VAL A 105 -2.370 -2.648 5.473 1.00 1.04 H new ATOM 0 HG12 VAL A 105 -1.110 -1.435 5.803 1.00 1.04 H new ATOM 0 HG13 VAL A 105 -0.703 -2.923 4.917 1.00 1.04 H new ATOM 0 HG21 VAL A 105 -2.430 -4.750 6.661 1.00 1.04 H new ATOM 0 HG22 VAL A 105 -0.767 -5.154 6.174 1.00 1.04 H new ATOM 0 HG23 VAL A 105 -1.212 -5.142 7.897 1.00 1.04 H new ATOM 1535 N GLN A 106 2.104 -4.831 7.222 1.00 0.18 N ATOM 1536 CA GLN A 106 2.953 -5.778 6.522 1.00 0.20 C ATOM 1537 C GLN A 106 2.136 -6.986 6.081 1.00 0.23 C ATOM 1538 O GLN A 106 1.178 -7.384 6.748 1.00 0.29 O ATOM 1539 CB GLN A 106 4.129 -6.224 7.399 1.00 0.24 C ATOM 1540 CG GLN A 106 5.070 -5.090 7.778 1.00 0.25 C ATOM 1541 CD GLN A 106 6.395 -5.558 8.365 1.00 0.30 C ATOM 1542 OE1 GLN A 106 6.954 -4.902 9.240 1.00 0.55 O ATOM 1543 NE2 GLN A 106 6.941 -6.654 7.857 1.00 0.28 N ATOM 0 H GLN A 106 2.106 -4.928 8.237 1.00 0.18 H new ATOM 0 HA GLN A 106 3.361 -5.281 5.642 1.00 0.20 H new ATOM 0 HB2 GLN A 106 3.740 -6.682 8.309 1.00 0.24 H new ATOM 0 HB3 GLN A 106 4.694 -6.993 6.872 1.00 0.24 H new ATOM 0 HG2 GLN A 106 5.269 -4.485 6.893 1.00 0.25 H new ATOM 0 HG3 GLN A 106 4.572 -4.444 8.501 1.00 0.25 H new ATOM 0 HE21 GLN A 106 6.452 -7.178 7.131 1.00 0.28 H new ATOM 0 HE22 GLN A 106 7.850 -6.973 8.192 1.00 0.28 H new ATOM 1552 N THR A 107 2.519 -7.546 4.952 1.00 0.22 N ATOM 1553 CA THR A 107 1.821 -8.671 4.359 1.00 0.27 C ATOM 1554 C THR A 107 2.762 -9.856 4.203 1.00 0.34 C ATOM 1555 O THR A 107 3.898 -9.810 4.678 1.00 0.37 O ATOM 1556 CB THR A 107 1.251 -8.290 2.982 1.00 0.26 C ATOM 1557 OG1 THR A 107 2.232 -7.549 2.238 1.00 0.22 O ATOM 1558 CG2 THR A 107 -0.023 -7.469 3.127 1.00 0.27 C ATOM 0 H THR A 107 3.328 -7.232 4.416 1.00 0.22 H new ATOM 0 HA THR A 107 1.000 -8.946 5.022 1.00 0.27 H new ATOM 0 HB THR A 107 1.005 -9.206 2.445 1.00 0.26 H new ATOM 0 HG1 THR A 107 2.013 -7.583 1.283 1.00 0.22 H new ATOM 0 HG21 THR A 107 -0.405 -7.213 2.139 1.00 0.27 H new ATOM 0 HG22 THR A 107 -0.771 -8.050 3.666 1.00 0.27 H new ATOM 0 HG23 THR A 107 0.194 -6.555 3.680 1.00 0.27 H new ATOM 1566 N ASP A 108 2.303 -10.904 3.534 1.00 0.40 N ATOM 1567 CA ASP A 108 3.129 -12.081 3.300 1.00 0.49 C ATOM 1568 C ASP A 108 4.384 -11.714 2.512 1.00 0.45 C ATOM 1569 O ASP A 108 5.459 -12.269 2.750 1.00 0.53 O ATOM 1570 CB ASP A 108 2.339 -13.167 2.564 1.00 0.60 C ATOM 1571 CG ASP A 108 1.872 -12.738 1.188 1.00 1.37 C ATOM 1572 OD1 ASP A 108 0.844 -12.034 1.098 1.00 1.67 O ATOM 1573 OD2 ASP A 108 2.523 -13.107 0.187 1.00 2.16 O ATOM 0 H ASP A 108 1.363 -10.964 3.143 1.00 0.40 H new ATOM 0 HA ASP A 108 3.432 -12.475 4.270 1.00 0.49 H new ATOM 0 HB2 ASP A 108 2.961 -14.057 2.468 1.00 0.60 H new ATOM 0 HB3 ASP A 108 1.473 -13.446 3.164 1.00 0.60 H new ATOM 1578 N SER A 109 4.256 -10.764 1.595 1.00 0.39 N ATOM 1579 CA SER A 109 5.392 -10.352 0.792 1.00 0.43 C ATOM 1580 C SER A 109 6.050 -9.107 1.379 1.00 0.53 C ATOM 1581 O SER A 109 7.195 -9.167 1.802 1.00 1.09 O ATOM 1582 CB SER A 109 4.948 -10.087 -0.650 1.00 0.47 C ATOM 1583 OG SER A 109 6.057 -10.078 -1.536 1.00 0.60 O ATOM 0 H SER A 109 3.386 -10.271 1.392 1.00 0.39 H new ATOM 0 HA SER A 109 6.126 -11.158 0.796 1.00 0.43 H new ATOM 0 HB2 SER A 109 4.237 -10.853 -0.961 1.00 0.47 H new ATOM 0 HB3 SER A 109 4.429 -9.130 -0.703 1.00 0.47 H new ATOM 0 HG SER A 109 6.889 -10.114 -1.019 1.00 0.60 H new ATOM 1589 N GLY A 110 5.327 -7.994 1.478 1.00 0.22 N ATOM 1590 CA GLY A 110 5.977 -6.775 1.894 1.00 0.19 C ATOM 1591 C GLY A 110 5.086 -5.852 2.686 1.00 0.16 C ATOM 1592 O GLY A 110 4.349 -6.278 3.567 1.00 0.24 O ATOM 0 H GLY A 110 4.329 -7.919 1.282 1.00 0.22 H new ATOM 0 HA2 GLY A 110 6.851 -7.027 2.495 1.00 0.19 H new ATOM 0 HA3 GLY A 110 6.339 -6.247 1.012 1.00 0.19 H new ATOM 1596 N LEU A 111 5.146 -4.587 2.335 1.00 0.12 N ATOM 1597 CA LEU A 111 4.515 -3.520 3.106 1.00 0.11 C ATOM 1598 C LEU A 111 3.384 -2.874 2.327 1.00 0.11 C ATOM 1599 O LEU A 111 3.451 -2.768 1.105 1.00 0.13 O ATOM 1600 CB LEU A 111 5.554 -2.456 3.455 1.00 0.12 C ATOM 1601 CG LEU A 111 6.243 -2.607 4.809 1.00 0.14 C ATOM 1602 CD1 LEU A 111 6.870 -3.983 4.959 1.00 0.15 C ATOM 1603 CD2 LEU A 111 7.294 -1.527 4.966 1.00 0.19 C ATOM 0 H LEU A 111 5.635 -4.259 1.502 1.00 0.12 H new ATOM 0 HA LEU A 111 4.104 -3.958 4.016 1.00 0.11 H new ATOM 0 HB2 LEU A 111 6.319 -2.457 2.679 1.00 0.12 H new ATOM 0 HB3 LEU A 111 5.069 -1.480 3.424 1.00 0.12 H new ATOM 0 HG LEU A 111 5.493 -2.500 5.593 1.00 0.14 H new ATOM 0 HD11 LEU A 111 7.353 -4.059 5.933 1.00 0.15 H new ATOM 0 HD12 LEU A 111 6.096 -4.746 4.877 1.00 0.15 H new ATOM 0 HD13 LEU A 111 7.612 -4.132 4.174 1.00 0.15 H new ATOM 0 HD21 LEU A 111 7.785 -1.635 5.933 1.00 0.19 H new ATOM 0 HD22 LEU A 111 8.033 -1.620 4.171 1.00 0.19 H new ATOM 0 HD23 LEU A 111 6.820 -0.547 4.908 1.00 0.19 H new ATOM 1615 N HIS A 112 2.348 -2.445 3.031 1.00 0.11 N ATOM 1616 CA HIS A 112 1.210 -1.803 2.389 1.00 0.12 C ATOM 1617 C HIS A 112 0.628 -0.690 3.247 1.00 0.14 C ATOM 1618 O HIS A 112 0.735 -0.709 4.470 1.00 0.22 O ATOM 1619 CB HIS A 112 0.099 -2.820 2.097 1.00 0.14 C ATOM 1620 CG HIS A 112 0.392 -3.766 0.976 1.00 0.16 C ATOM 1621 ND1 HIS A 112 -0.020 -3.545 -0.319 1.00 0.19 N ATOM 1622 CD2 HIS A 112 1.027 -4.960 0.968 1.00 0.18 C ATOM 1623 CE1 HIS A 112 0.344 -4.565 -1.075 1.00 0.22 C ATOM 1624 NE2 HIS A 112 0.981 -5.435 -0.319 1.00 0.21 N ATOM 0 H HIS A 112 2.271 -2.529 4.045 1.00 0.11 H new ATOM 0 HA HIS A 112 1.582 -1.377 1.457 1.00 0.12 H new ATOM 0 HB2 HIS A 112 -0.091 -3.398 3.001 1.00 0.14 H new ATOM 0 HB3 HIS A 112 -0.818 -2.278 1.866 1.00 0.14 H new ATOM 0 HD2 HIS A 112 1.485 -5.448 1.816 1.00 0.18 H new ATOM 0 HE1 HIS A 112 0.152 -4.668 -2.133 1.00 0.22 H new ATOM 0 HE2 HIS A 112 1.376 -6.319 -0.638 1.00 0.21 H new ATOM 1633 N ILE A 113 0.065 0.301 2.575 1.00 0.12 N ATOM 1634 CA ILE A 113 -0.881 1.223 3.176 1.00 0.13 C ATOM 1635 C ILE A 113 -2.048 1.383 2.212 1.00 0.12 C ATOM 1636 O ILE A 113 -1.842 1.452 0.998 1.00 0.14 O ATOM 1637 CB ILE A 113 -0.269 2.607 3.483 1.00 0.14 C ATOM 1638 CG1 ILE A 113 0.555 3.101 2.295 1.00 0.15 C ATOM 1639 CG2 ILE A 113 0.586 2.544 4.741 1.00 0.15 C ATOM 1640 CD1 ILE A 113 0.499 4.592 2.095 1.00 0.17 C ATOM 0 H ILE A 113 0.254 0.488 1.590 1.00 0.12 H new ATOM 0 HA ILE A 113 -1.199 0.810 4.133 1.00 0.13 H new ATOM 0 HB ILE A 113 -1.080 3.314 3.656 1.00 0.14 H new ATOM 0 HG12 ILE A 113 1.594 2.801 2.435 1.00 0.15 H new ATOM 0 HG13 ILE A 113 0.201 2.609 1.389 1.00 0.15 H new ATOM 0 HG21 ILE A 113 1.010 3.528 4.943 1.00 0.15 H new ATOM 0 HG22 ILE A 113 -0.031 2.234 5.585 1.00 0.15 H new ATOM 0 HG23 ILE A 113 1.392 1.824 4.597 1.00 0.15 H new ATOM 0 HD11 ILE A 113 1.108 4.867 1.234 1.00 0.17 H new ATOM 0 HD12 ILE A 113 -0.533 4.897 1.922 1.00 0.17 H new ATOM 0 HD13 ILE A 113 0.881 5.093 2.984 1.00 0.17 H new ATOM 1652 N ILE A 114 -3.263 1.388 2.731 1.00 0.11 N ATOM 1653 CA ILE A 114 -4.443 1.422 1.879 1.00 0.11 C ATOM 1654 C ILE A 114 -5.380 2.547 2.300 1.00 0.11 C ATOM 1655 O ILE A 114 -5.473 2.867 3.477 1.00 0.12 O ATOM 1656 CB ILE A 114 -5.227 0.083 1.927 1.00 0.12 C ATOM 1657 CG1 ILE A 114 -4.287 -1.131 1.935 1.00 0.15 C ATOM 1658 CG2 ILE A 114 -6.177 -0.012 0.746 1.00 0.12 C ATOM 1659 CD1 ILE A 114 -3.880 -1.591 3.324 1.00 0.18 C ATOM 0 H ILE A 114 -3.460 1.369 3.732 1.00 0.11 H new ATOM 0 HA ILE A 114 -4.090 1.590 0.862 1.00 0.11 H new ATOM 0 HB ILE A 114 -5.796 0.072 2.857 1.00 0.12 H new ATOM 0 HG12 ILE A 114 -4.774 -1.958 1.418 1.00 0.15 H new ATOM 0 HG13 ILE A 114 -3.389 -0.886 1.368 1.00 0.15 H new ATOM 0 HG21 ILE A 114 -6.721 -0.956 0.791 1.00 0.12 H new ATOM 0 HG22 ILE A 114 -6.884 0.816 0.781 1.00 0.12 H new ATOM 0 HG23 ILE A 114 -5.609 0.035 -0.183 1.00 0.12 H new ATOM 0 HD11 ILE A 114 -3.217 -2.452 3.242 1.00 0.18 H new ATOM 0 HD12 ILE A 114 -3.362 -0.781 3.838 1.00 0.18 H new ATOM 0 HD13 ILE A 114 -4.769 -1.870 3.890 1.00 0.18 H new ATOM 1671 N LYS A 115 -6.059 3.154 1.342 1.00 0.13 N ATOM 1672 CA LYS A 115 -7.090 4.133 1.649 1.00 0.14 C ATOM 1673 C LYS A 115 -8.368 3.745 0.914 1.00 0.15 C ATOM 1674 O LYS A 115 -8.310 3.289 -0.229 1.00 0.16 O ATOM 1675 CB LYS A 115 -6.648 5.551 1.247 1.00 0.16 C ATOM 1676 CG LYS A 115 -6.777 5.848 -0.239 1.00 0.22 C ATOM 1677 CD LYS A 115 -6.353 7.269 -0.576 1.00 0.24 C ATOM 1678 CE LYS A 115 -6.811 7.675 -1.974 1.00 0.35 C ATOM 1679 NZ LYS A 115 -6.258 8.993 -2.391 1.00 0.61 N ATOM 0 H LYS A 115 -5.916 2.987 0.346 1.00 0.13 H new ATOM 0 HA LYS A 115 -7.268 4.140 2.724 1.00 0.14 H new ATOM 0 HB2 LYS A 115 -7.242 6.276 1.804 1.00 0.16 H new ATOM 0 HB3 LYS A 115 -5.609 5.694 1.546 1.00 0.16 H new ATOM 0 HG2 LYS A 115 -6.166 5.144 -0.804 1.00 0.22 H new ATOM 0 HG3 LYS A 115 -7.810 5.695 -0.551 1.00 0.22 H new ATOM 0 HD2 LYS A 115 -6.770 7.958 0.159 1.00 0.24 H new ATOM 0 HD3 LYS A 115 -5.268 7.351 -0.510 1.00 0.24 H new ATOM 0 HE2 LYS A 115 -6.504 6.912 -2.690 1.00 0.35 H new ATOM 0 HE3 LYS A 115 -7.900 7.716 -1.999 1.00 0.35 H new ATOM 0 HZ1 LYS A 115 -7.039 9.637 -2.631 1.00 0.61 H new ATOM 0 HZ2 LYS A 115 -5.702 9.399 -1.611 1.00 0.61 H new ATOM 0 HZ3 LYS A 115 -5.646 8.865 -3.222 1.00 0.61 H new ATOM 1693 N ARG A 116 -9.516 3.890 1.561 1.00 0.15 N ATOM 1694 CA ARG A 116 -10.769 3.535 0.913 1.00 0.17 C ATOM 1695 C ARG A 116 -11.265 4.672 0.033 1.00 0.19 C ATOM 1696 O ARG A 116 -11.271 5.834 0.434 1.00 0.22 O ATOM 1697 CB ARG A 116 -11.853 3.125 1.922 1.00 0.21 C ATOM 1698 CG ARG A 116 -13.245 3.096 1.309 1.00 0.28 C ATOM 1699 CD ARG A 116 -14.115 1.955 1.812 1.00 0.49 C ATOM 1700 NE ARG A 116 -14.081 1.763 3.258 1.00 0.79 N ATOM 1701 CZ ARG A 116 -14.998 1.054 3.925 1.00 0.88 C ATOM 1702 NH1 ARG A 116 -16.038 0.535 3.285 1.00 0.97 N ATOM 1703 NH2 ARG A 116 -14.879 0.871 5.230 1.00 1.87 N ATOM 0 H ARG A 116 -9.606 4.243 2.514 1.00 0.15 H new ATOM 0 HA ARG A 116 -10.565 2.667 0.286 1.00 0.17 H new ATOM 0 HB2 ARG A 116 -11.616 2.139 2.323 1.00 0.21 H new ATOM 0 HB3 ARG A 116 -11.844 3.821 2.761 1.00 0.21 H new ATOM 0 HG2 ARG A 116 -13.744 4.041 1.521 1.00 0.28 H new ATOM 0 HG3 ARG A 116 -13.153 3.020 0.226 1.00 0.28 H new ATOM 0 HD2 ARG A 116 -15.145 2.138 1.506 1.00 0.49 H new ATOM 0 HD3 ARG A 116 -13.798 1.032 1.328 1.00 0.49 H new ATOM 0 HE ARG A 116 -13.320 2.191 3.786 1.00 0.79 H new ATOM 0 HH11 ARG A 116 -16.141 0.676 2.280 1.00 0.97 H new ATOM 0 HH12 ARG A 116 -16.735 -0.005 3.798 1.00 0.97 H new ATOM 0 HH21 ARG A 116 -14.086 1.271 5.731 1.00 1.87 H new ATOM 0 HH22 ARG A 116 -15.581 0.330 5.735 1.00 1.87 H new ATOM 1717 N LEU A 117 -11.671 4.307 -1.170 1.00 0.22 N ATOM 1718 CA LEU A 117 -12.157 5.250 -2.166 1.00 0.27 C ATOM 1719 C LEU A 117 -13.678 5.183 -2.239 1.00 0.29 C ATOM 1720 O LEU A 117 -14.350 6.192 -2.451 1.00 0.37 O ATOM 1721 CB LEU A 117 -11.566 4.906 -3.542 1.00 0.32 C ATOM 1722 CG LEU A 117 -10.161 5.442 -3.851 1.00 0.39 C ATOM 1723 CD1 LEU A 117 -10.189 6.938 -4.071 1.00 0.89 C ATOM 1724 CD2 LEU A 117 -9.183 5.097 -2.747 1.00 0.80 C ATOM 0 H LEU A 117 -11.673 3.338 -1.488 1.00 0.22 H new ATOM 0 HA LEU A 117 -11.850 6.256 -1.881 1.00 0.27 H new ATOM 0 HB2 LEU A 117 -11.543 3.821 -3.639 1.00 0.32 H new ATOM 0 HB3 LEU A 117 -12.247 5.280 -4.306 1.00 0.32 H new ATOM 0 HG LEU A 117 -9.824 4.960 -4.769 1.00 0.39 H new ATOM 0 HD11 LEU A 117 -9.181 7.293 -4.288 1.00 0.89 H new ATOM 0 HD12 LEU A 117 -10.844 7.170 -4.911 1.00 0.89 H new ATOM 0 HD13 LEU A 117 -10.562 7.431 -3.173 1.00 0.89 H new ATOM 0 HD21 LEU A 117 -8.198 5.491 -2.997 1.00 0.80 H new ATOM 0 HD22 LEU A 117 -9.523 5.537 -1.809 1.00 0.80 H new ATOM 0 HD23 LEU A 117 -9.124 4.014 -2.639 1.00 0.80 H new ATOM 1736 N ALA A 118 -14.204 3.977 -2.073 1.00 0.26 N ATOM 1737 CA ALA A 118 -15.637 3.742 -2.089 1.00 0.30 C ATOM 1738 C ALA A 118 -15.966 2.543 -1.215 1.00 0.30 C ATOM 1739 O ALA A 118 -15.315 1.496 -1.390 1.00 1.10 O ATOM 1740 CB ALA A 118 -16.137 3.522 -3.511 1.00 0.39 C ATOM 1741 OXT ALA A 118 -16.864 2.651 -0.356 1.00 1.09 O ATOM 0 H ALA A 118 -13.647 3.136 -1.924 1.00 0.26 H new ATOM 0 HA ALA A 118 -16.142 4.623 -1.692 1.00 0.30 H new ATOM 0 HB1 ALA A 118 -17.213 3.348 -3.496 1.00 0.39 H new ATOM 0 HB2 ALA A 118 -15.921 4.404 -4.113 1.00 0.39 H new ATOM 0 HB3 ALA A 118 -15.636 2.656 -3.943 1.00 0.39 H new