USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 742 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: B 37 HIS : no HD1:sc= -1.59 X(o=-12,f=-12) USER MOD Set 1.2: C 37 HIS : no HD1:sc= -10.6! C(o=-12!,f=-16!) USER MOD Set 2.1: A 37 HIS : no HD1:sc= -15.3! C(o=-24!,f=-31!) USER MOD Set 2.2: D 37 HIS : no HE2:sc= -9! C(o=-24!,f=-27!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -0.0761 X(o=-0.076,f=-0.076) USER MOD Single : B 47 ASN : amide:sc= -1.78 K(o=-1.8,f=-13!) USER MOD Single : B 48 GLN : amide:sc= -0.0263 K(o=-0.026,f=-1.7!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 42 THR OG1 : rot -105:sc= -0.423 USER MOD Single : C 45 HIS : no HD1:sc=-0.00638 X(o=-0.0064,f=-0.0043) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 42 THR OG1 : rot 93:sc= 0.17 USER MOD Single : D 45 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=-7.9e-06) USER MOD ----------------------------------------------------------------- ATOM 23 N PRO A 25 78.049 2.545 1.812 1.00 0.00 N ATOM 24 CA PRO A 25 78.310 1.768 0.564 1.00 0.00 C ATOM 25 C PRO A 25 78.649 2.678 -0.617 1.00 0.00 C ATOM 26 O PRO A 25 78.948 2.204 -1.714 1.00 0.00 O ATOM 27 CB PRO A 25 76.985 1.031 0.334 1.00 0.00 C ATOM 28 CG PRO A 25 75.946 1.945 0.903 1.00 0.00 C ATOM 29 CD PRO A 25 76.605 2.648 2.097 1.00 0.00 C ATOM 0 HA PRO A 25 79.168 1.102 0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 25 76.813 0.845 -0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 25 76.978 0.062 0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 25 75.614 2.669 0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.065 1.386 1.218 1.00 0.00 H new ATOM 0 HD2 PRO A 25 76.286 3.687 2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 25 76.347 2.163 3.039 1.00 0.00 H new ATOM 37 N LEU A 26 78.594 3.961 -0.389 1.00 0.00 N ATOM 38 CA LEU A 26 78.890 4.930 -1.439 1.00 0.00 C ATOM 39 C LEU A 26 80.343 4.810 -1.895 1.00 0.00 C ATOM 40 O LEU A 26 80.628 4.808 -3.093 1.00 0.00 O ATOM 41 CB LEU A 26 78.622 6.350 -0.917 1.00 0.00 C ATOM 42 CG LEU A 26 78.914 7.396 -2.006 1.00 0.00 C ATOM 43 CD1 LEU A 26 78.020 7.153 -3.235 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.638 8.793 -1.439 1.00 0.00 C ATOM 0 H LEU A 26 78.348 4.372 0.511 1.00 0.00 H new ATOM 0 HA LEU A 26 78.245 4.726 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 26 77.584 6.434 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 26 79.244 6.545 -0.043 1.00 0.00 H new ATOM 0 HG LEU A 26 79.957 7.315 -2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 26 78.238 7.901 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 26 78.215 6.159 -3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 26 76.972 7.227 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 26 78.842 9.543 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 26 77.594 8.862 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 26 79.281 8.969 -0.577 1.00 0.00 H new ATOM 56 N VAL A 27 81.241 4.719 -0.952 1.00 0.00 N ATOM 57 CA VAL A 27 82.663 4.612 -1.266 1.00 0.00 C ATOM 58 C VAL A 27 82.999 3.254 -1.880 1.00 0.00 C ATOM 59 O VAL A 27 83.832 3.162 -2.782 1.00 0.00 O ATOM 60 CB VAL A 27 83.491 4.820 0.003 1.00 0.00 C ATOM 61 CG1 VAL A 27 83.217 3.681 0.986 1.00 0.00 C ATOM 62 CG2 VAL A 27 84.978 4.838 -0.356 1.00 0.00 C ATOM 0 H VAL A 27 81.025 4.716 0.045 1.00 0.00 H new ATOM 0 HA VAL A 27 82.905 5.384 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 27 83.216 5.769 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 27 83.808 3.830 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 27 82.158 3.669 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 27 83.490 2.731 0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.569 4.986 0.548 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.252 3.889 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 27 85.174 5.651 -1.055 1.00 0.00 H new ATOM 72 N VAL A 28 82.364 2.223 -1.397 1.00 0.00 N ATOM 73 CA VAL A 28 82.613 0.880 -1.912 1.00 0.00 C ATOM 74 C VAL A 28 82.062 0.732 -3.327 1.00 0.00 C ATOM 75 O VAL A 28 82.647 0.049 -4.166 1.00 0.00 O ATOM 76 CB VAL A 28 81.970 -0.165 -0.993 1.00 0.00 C ATOM 77 CG1 VAL A 28 82.238 -1.574 -1.544 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.567 -0.034 0.413 1.00 0.00 C ATOM 0 H VAL A 28 81.671 2.272 -0.651 1.00 0.00 H new ATOM 0 HA VAL A 28 83.691 0.720 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 28 80.893 -0.001 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 28 81.780 -2.314 -0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.812 -1.661 -2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 28 83.313 -1.748 -1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 28 82.113 -0.775 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 28 83.643 -0.199 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 28 82.369 0.965 0.801 1.00 0.00 H new ATOM 88 N ALA A 29 80.949 1.365 -3.575 1.00 0.00 N ATOM 89 CA ALA A 29 80.319 1.296 -4.890 1.00 0.00 C ATOM 90 C ALA A 29 81.336 1.594 -5.990 1.00 0.00 C ATOM 91 O ALA A 29 81.299 0.995 -7.061 1.00 0.00 O ATOM 92 CB ALA A 29 79.164 2.296 -4.970 1.00 0.00 C ATOM 0 H ALA A 29 80.450 1.937 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 29 79.933 0.287 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 29 78.700 2.238 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 29 78.424 2.059 -4.205 1.00 0.00 H new ATOM 0 HB3 ALA A 29 79.544 3.305 -4.807 1.00 0.00 H new ATOM 98 N ALA A 30 82.213 2.520 -5.736 1.00 0.00 N ATOM 99 CA ALA A 30 83.220 2.886 -6.726 1.00 0.00 C ATOM 100 C ALA A 30 84.217 1.748 -6.953 1.00 0.00 C ATOM 101 O ALA A 30 84.727 1.574 -8.059 1.00 0.00 O ATOM 102 CB ALA A 30 83.971 4.137 -6.266 1.00 0.00 C ATOM 0 H ALA A 30 82.263 3.041 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 30 82.708 3.086 -7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 30 84.721 4.405 -7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.267 4.961 -6.148 1.00 0.00 H new ATOM 0 HB3 ALA A 30 84.460 3.938 -5.313 1.00 0.00 H new ATOM 108 N SER A 31 84.508 1.008 -5.916 1.00 0.00 N ATOM 109 CA SER A 31 85.472 -0.089 -6.011 1.00 0.00 C ATOM 110 C SER A 31 85.020 -1.189 -6.973 1.00 0.00 C ATOM 111 O SER A 31 85.786 -1.608 -7.840 1.00 0.00 O ATOM 112 CB SER A 31 85.694 -0.695 -4.627 1.00 0.00 C ATOM 113 OG SER A 31 86.646 -1.747 -4.722 1.00 0.00 O ATOM 0 H SER A 31 84.099 1.134 -4.990 1.00 0.00 H new ATOM 0 HA SER A 31 86.398 0.331 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 31 86.047 0.069 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.753 -1.075 -4.229 1.00 0.00 H new ATOM 0 HG SER A 31 86.792 -2.137 -3.835 1.00 0.00 H new ATOM 119 N ILE A 32 83.810 -1.660 -6.818 1.00 0.00 N ATOM 120 CA ILE A 32 83.312 -2.727 -7.688 1.00 0.00 C ATOM 121 C ILE A 32 83.505 -2.358 -9.156 1.00 0.00 C ATOM 122 O ILE A 32 83.688 -3.232 -10.002 1.00 0.00 O ATOM 123 CB ILE A 32 81.834 -3.015 -7.406 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.061 -1.700 -7.328 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.699 -3.762 -6.078 1.00 0.00 C ATOM 126 CD1 ILE A 32 79.560 -1.983 -7.412 1.00 0.00 C ATOM 0 H ILE A 32 83.149 -1.336 -6.112 1.00 0.00 H new ATOM 0 HA ILE A 32 83.886 -3.629 -7.476 1.00 0.00 H new ATOM 0 HB ILE A 32 81.429 -3.629 -8.211 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.293 -1.185 -6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 32 81.363 -1.040 -8.141 1.00 0.00 H new ATOM 0 HG21 ILE A 32 80.647 -3.965 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE A 32 82.246 -4.703 -6.133 1.00 0.00 H new ATOM 0 HG23 ILE A 32 82.108 -3.151 -5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 32 79.009 -1.044 -7.356 1.00 0.00 H new ATOM 0 HD12 ILE A 32 79.336 -2.480 -8.356 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.264 -2.627 -6.584 1.00 0.00 H new ATOM 138 N ILE A 33 83.478 -1.087 -9.448 1.00 0.00 N ATOM 139 CA ILE A 33 83.668 -0.629 -10.820 1.00 0.00 C ATOM 140 C ILE A 33 85.101 -0.922 -11.260 1.00 0.00 C ATOM 141 O ILE A 33 85.370 -1.134 -12.443 1.00 0.00 O ATOM 142 CB ILE A 33 83.377 0.884 -10.929 1.00 0.00 C ATOM 143 CG1 ILE A 33 81.945 1.169 -10.421 1.00 0.00 C ATOM 144 CG2 ILE A 33 83.508 1.339 -12.397 1.00 0.00 C ATOM 145 CD1 ILE A 33 81.473 2.559 -10.877 1.00 0.00 C ATOM 0 H ILE A 33 83.328 -0.343 -8.766 1.00 0.00 H new ATOM 0 HA ILE A 33 82.974 -1.160 -11.472 1.00 0.00 H new ATOM 0 HB ILE A 33 84.095 1.434 -10.321 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.262 0.407 -10.796 1.00 0.00 H new ATOM 0 HG13 ILE A 33 81.921 1.110 -9.333 1.00 0.00 H new ATOM 0 HG21 ILE A 33 83.301 2.407 -12.467 1.00 0.00 H new ATOM 0 HG22 ILE A 33 84.520 1.141 -12.750 1.00 0.00 H new ATOM 0 HG23 ILE A 33 82.795 0.791 -13.013 1.00 0.00 H new ATOM 0 HD11 ILE A 33 80.463 2.739 -10.509 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.145 3.320 -10.480 1.00 0.00 H new ATOM 0 HD13 ILE A 33 81.476 2.605 -11.966 1.00 0.00 H new ATOM 157 N GLY A 34 86.003 -0.922 -10.315 1.00 0.00 N ATOM 158 CA GLY A 34 87.411 -1.174 -10.603 1.00 0.00 C ATOM 159 C GLY A 34 87.639 -2.544 -11.237 1.00 0.00 C ATOM 160 O GLY A 34 88.378 -2.668 -12.214 1.00 0.00 O ATOM 0 H GLY A 34 85.798 -0.751 -9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 34 87.786 -0.400 -11.272 1.00 0.00 H new ATOM 0 HA3 GLY A 34 87.986 -1.104 -9.680 1.00 0.00 H new ATOM 164 N ILE A 35 87.031 -3.553 -10.681 1.00 0.00 N ATOM 165 CA ILE A 35 87.194 -4.913 -11.192 1.00 0.00 C ATOM 166 C ILE A 35 86.700 -5.023 -12.634 1.00 0.00 C ATOM 167 O ILE A 35 87.256 -5.776 -13.435 1.00 0.00 O ATOM 168 CB ILE A 35 86.414 -5.897 -10.312 1.00 0.00 C ATOM 169 CG1 ILE A 35 86.620 -5.553 -8.831 1.00 0.00 C ATOM 170 CG2 ILE A 35 86.908 -7.322 -10.572 1.00 0.00 C ATOM 171 CD1 ILE A 35 88.113 -5.424 -8.526 1.00 0.00 C ATOM 0 H ILE A 35 86.414 -3.475 -9.872 1.00 0.00 H new ATOM 0 HA ILE A 35 88.256 -5.157 -11.169 1.00 0.00 H new ATOM 0 HB ILE A 35 85.354 -5.825 -10.555 1.00 0.00 H new ATOM 0 HG12 ILE A 35 86.110 -4.620 -8.592 1.00 0.00 H new ATOM 0 HG13 ILE A 35 86.178 -6.328 -8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.352 -8.020 -9.946 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.754 -7.575 -11.621 1.00 0.00 H new ATOM 0 HG23 ILE A 35 87.970 -7.388 -10.335 1.00 0.00 H new ATOM 0 HD11 ILE A 35 88.249 -5.180 -7.473 1.00 0.00 H new ATOM 0 HD12 ILE A 35 88.612 -6.367 -8.747 1.00 0.00 H new ATOM 0 HD13 ILE A 35 88.543 -4.633 -9.140 1.00 0.00 H new ATOM 183 N LEU A 36 85.659 -4.305 -12.940 1.00 0.00 N ATOM 184 CA LEU A 36 85.075 -4.349 -14.277 1.00 0.00 C ATOM 185 C LEU A 36 86.084 -3.951 -15.355 1.00 0.00 C ATOM 186 O LEU A 36 86.223 -4.644 -16.356 1.00 0.00 O ATOM 187 CB LEU A 36 83.851 -3.425 -14.340 1.00 0.00 C ATOM 188 CG LEU A 36 83.274 -3.378 -15.765 1.00 0.00 C ATOM 189 CD1 LEU A 36 82.968 -4.800 -16.262 1.00 0.00 C ATOM 190 CD2 LEU A 36 81.984 -2.553 -15.754 1.00 0.00 C ATOM 0 H LEU A 36 85.186 -3.676 -12.291 1.00 0.00 H new ATOM 0 HA LEU A 36 84.772 -5.378 -14.473 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.088 -3.777 -13.646 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.132 -2.420 -14.023 1.00 0.00 H new ATOM 0 HG LEU A 36 84.004 -2.921 -16.433 1.00 0.00 H new ATOM 0 HD11 LEU A 36 82.560 -4.753 -17.272 1.00 0.00 H new ATOM 0 HD12 LEU A 36 83.885 -5.388 -16.268 1.00 0.00 H new ATOM 0 HD13 LEU A 36 82.241 -5.269 -15.599 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.568 -2.515 -16.761 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.262 -3.015 -15.081 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.202 -1.541 -15.413 1.00 0.00 H new ATOM 202 N HIS A 37 86.755 -2.848 -15.173 1.00 0.00 N ATOM 203 CA HIS A 37 87.715 -2.398 -16.179 1.00 0.00 C ATOM 204 C HIS A 37 88.793 -3.447 -16.444 1.00 0.00 C ATOM 205 O HIS A 37 89.355 -3.497 -17.537 1.00 0.00 O ATOM 206 CB HIS A 37 88.363 -1.067 -15.767 1.00 0.00 C ATOM 207 CG HIS A 37 89.276 -1.258 -14.584 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.210 -2.280 -14.513 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.408 -0.552 -13.416 1.00 0.00 C ATOM 210 CE1 HIS A 37 90.851 -2.164 -13.336 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.400 -1.126 -12.628 1.00 0.00 N ATOM 0 H HIS A 37 86.668 -2.243 -14.356 1.00 0.00 H new ATOM 0 HA HIS A 37 87.159 -2.246 -17.104 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.927 -0.658 -16.605 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.588 -0.341 -15.520 1.00 0.00 H new ATOM 0 HD2 HIS A 37 88.829 0.319 -13.148 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.635 -2.829 -13.004 1.00 0.00 H new ATOM 0 HE2 HIS A 37 90.715 -0.820 -11.707 1.00 0.00 H new ATOM 220 N PHE A 38 89.100 -4.250 -15.460 1.00 0.00 N ATOM 221 CA PHE A 38 90.140 -5.262 -15.611 1.00 0.00 C ATOM 222 C PHE A 38 89.833 -6.250 -16.734 1.00 0.00 C ATOM 223 O PHE A 38 90.690 -6.516 -17.575 1.00 0.00 O ATOM 224 CB PHE A 38 90.308 -6.024 -14.293 1.00 0.00 C ATOM 225 CG PHE A 38 91.451 -7.002 -14.414 1.00 0.00 C ATOM 226 CD1 PHE A 38 92.764 -6.576 -14.178 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.199 -8.335 -14.758 1.00 0.00 C ATOM 228 CE1 PHE A 38 93.824 -7.483 -14.287 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.258 -9.243 -14.867 1.00 0.00 C ATOM 230 CZ PHE A 38 93.571 -8.818 -14.631 1.00 0.00 C ATOM 0 H PHE A 38 88.653 -4.232 -14.544 1.00 0.00 H new ATOM 0 HA PHE A 38 91.063 -4.745 -15.873 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.499 -5.325 -13.479 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.387 -6.554 -14.048 1.00 0.00 H new ATOM 0 HD1 PHE A 38 92.958 -5.548 -13.912 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.186 -8.663 -14.939 1.00 0.00 H new ATOM 0 HE1 PHE A 38 94.837 -7.154 -14.106 1.00 0.00 H new ATOM 0 HE2 PHE A 38 92.063 -10.271 -15.133 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.389 -9.519 -14.714 1.00 0.00 H new ATOM 240 N ILE A 39 88.652 -6.806 -16.744 1.00 0.00 N ATOM 241 CA ILE A 39 88.320 -7.778 -17.781 1.00 0.00 C ATOM 242 C ILE A 39 88.443 -7.152 -19.170 1.00 0.00 C ATOM 243 O ILE A 39 88.954 -7.786 -20.088 1.00 0.00 O ATOM 244 CB ILE A 39 86.917 -8.375 -17.555 1.00 0.00 C ATOM 245 CG1 ILE A 39 85.804 -7.376 -17.972 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.768 -8.730 -16.070 1.00 0.00 C ATOM 247 CD1 ILE A 39 85.353 -7.633 -19.422 1.00 0.00 C ATOM 0 H ILE A 39 87.911 -6.617 -16.069 1.00 0.00 H new ATOM 0 HA ILE A 39 89.037 -8.597 -17.720 1.00 0.00 H new ATOM 0 HB ILE A 39 86.810 -9.267 -18.172 1.00 0.00 H new ATOM 0 HG12 ILE A 39 84.952 -7.472 -17.299 1.00 0.00 H new ATOM 0 HG13 ILE A 39 86.172 -6.354 -17.877 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.779 -9.154 -15.895 1.00 0.00 H new ATOM 0 HG22 ILE A 39 87.530 -9.458 -15.792 1.00 0.00 H new ATOM 0 HG23 ILE A 39 86.889 -7.830 -15.467 1.00 0.00 H new ATOM 0 HD11 ILE A 39 84.573 -6.921 -19.692 1.00 0.00 H new ATOM 0 HD12 ILE A 39 86.203 -7.512 -20.094 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.964 -8.648 -19.508 1.00 0.00 H new ATOM 259 N ALA A 40 87.988 -5.936 -19.319 1.00 0.00 N ATOM 260 CA ALA A 40 88.065 -5.249 -20.605 1.00 0.00 C ATOM 261 C ALA A 40 89.506 -4.850 -20.928 1.00 0.00 C ATOM 262 O ALA A 40 89.910 -4.813 -22.089 1.00 0.00 O ATOM 263 CB ALA A 40 87.177 -4.004 -20.581 1.00 0.00 C ATOM 0 H ALA A 40 87.558 -5.391 -18.572 1.00 0.00 H new ATOM 0 HA ALA A 40 87.716 -5.932 -21.380 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.238 -3.495 -21.543 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.145 -4.297 -20.390 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.515 -3.331 -19.793 1.00 0.00 H new ATOM 269 N TRP A 41 90.249 -4.518 -19.908 1.00 0.00 N ATOM 270 CA TRP A 41 91.631 -4.077 -20.085 1.00 0.00 C ATOM 271 C TRP A 41 92.403 -5.015 -21.000 1.00 0.00 C ATOM 272 O TRP A 41 93.262 -4.580 -21.767 1.00 0.00 O ATOM 273 CB TRP A 41 92.333 -4.024 -18.727 1.00 0.00 C ATOM 274 CG TRP A 41 93.728 -3.529 -18.916 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.725 -4.225 -19.513 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.298 -2.250 -18.519 1.00 0.00 C ATOM 277 NE1 TRP A 41 95.869 -3.444 -19.520 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.656 -2.220 -18.914 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.772 -1.121 -17.862 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.462 -1.108 -18.667 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.583 -0.003 -17.610 1.00 0.00 C ATOM 282 CH2 TRP A 41 95.926 0.003 -18.012 1.00 0.00 C ATOM 0 H TRP A 41 89.932 -4.540 -18.939 1.00 0.00 H new ATOM 0 HA TRP A 41 91.608 -3.087 -20.541 1.00 0.00 H new ATOM 0 HB2 TRP A 41 91.790 -3.366 -18.049 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.344 -5.014 -18.271 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.642 -5.223 -19.917 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.759 -3.736 -19.923 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.738 -1.115 -17.550 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.495 -1.106 -18.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.170 0.857 -17.104 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.545 0.866 -17.815 1.00 0.00 H new ATOM 293 N THR A 42 92.107 -6.272 -20.917 1.00 0.00 N ATOM 294 CA THR A 42 92.791 -7.258 -21.745 1.00 0.00 C ATOM 295 C THR A 42 92.639 -6.911 -23.228 1.00 0.00 C ATOM 296 O THR A 42 93.500 -7.239 -24.044 1.00 0.00 O ATOM 297 CB THR A 42 92.205 -8.645 -21.483 1.00 0.00 C ATOM 298 OG1 THR A 42 92.982 -9.621 -22.163 1.00 0.00 O ATOM 299 CG2 THR A 42 90.762 -8.690 -21.991 1.00 0.00 C ATOM 0 H THR A 42 91.400 -6.657 -20.291 1.00 0.00 H new ATOM 0 HA THR A 42 93.851 -7.253 -21.489 1.00 0.00 H new ATOM 0 HB THR A 42 92.219 -8.853 -20.413 1.00 0.00 H new ATOM 0 HG1 THR A 42 92.609 -10.511 -21.995 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.342 -9.678 -21.805 1.00 0.00 H new ATOM 0 HG22 THR A 42 90.169 -7.939 -21.469 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.746 -8.484 -23.061 1.00 0.00 H new ATOM 307 N ILE A 43 91.549 -6.268 -23.561 1.00 0.00 N ATOM 308 CA ILE A 43 91.272 -5.888 -24.946 1.00 0.00 C ATOM 309 C ILE A 43 92.422 -5.061 -25.530 1.00 0.00 C ATOM 310 O ILE A 43 92.844 -5.291 -26.662 1.00 0.00 O ATOM 311 CB ILE A 43 89.951 -5.098 -24.992 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.824 -5.985 -24.454 1.00 0.00 C ATOM 313 CG2 ILE A 43 89.606 -4.687 -26.430 1.00 0.00 C ATOM 314 CD1 ILE A 43 87.579 -5.137 -24.184 1.00 0.00 C ATOM 0 H ILE A 43 90.827 -5.990 -22.896 1.00 0.00 H new ATOM 0 HA ILE A 43 91.179 -6.788 -25.554 1.00 0.00 H new ATOM 0 HB ILE A 43 90.063 -4.199 -24.386 1.00 0.00 H new ATOM 0 HG12 ILE A 43 88.591 -6.770 -25.174 1.00 0.00 H new ATOM 0 HG13 ILE A 43 89.144 -6.479 -23.537 1.00 0.00 H new ATOM 0 HG21 ILE A 43 88.669 -4.131 -26.434 1.00 0.00 H new ATOM 0 HG22 ILE A 43 90.402 -4.060 -26.830 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.501 -5.579 -27.048 1.00 0.00 H new ATOM 0 HD11 ILE A 43 86.781 -5.774 -23.802 1.00 0.00 H new ATOM 0 HD12 ILE A 43 87.815 -4.369 -23.448 1.00 0.00 H new ATOM 0 HD13 ILE A 43 87.253 -4.664 -25.110 1.00 0.00 H new ATOM 326 N GLY A 44 92.893 -4.096 -24.789 1.00 0.00 N ATOM 327 CA GLY A 44 93.961 -3.226 -25.283 1.00 0.00 C ATOM 328 C GLY A 44 95.077 -4.030 -25.947 1.00 0.00 C ATOM 329 O GLY A 44 95.749 -3.535 -26.852 1.00 0.00 O ATOM 0 H GLY A 44 92.567 -3.881 -23.847 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.550 -2.514 -25.998 1.00 0.00 H new ATOM 0 HA3 GLY A 44 94.371 -2.647 -24.456 1.00 0.00 H new ATOM 333 N HIS A 45 95.263 -5.245 -25.519 1.00 0.00 N ATOM 334 CA HIS A 45 96.291 -6.100 -26.096 1.00 0.00 C ATOM 335 C HIS A 45 96.215 -6.085 -27.626 1.00 0.00 C ATOM 336 O HIS A 45 97.206 -6.354 -28.307 1.00 0.00 O ATOM 337 CB HIS A 45 96.134 -7.530 -25.578 1.00 0.00 C ATOM 338 CG HIS A 45 97.370 -8.320 -25.916 1.00 0.00 C ATOM 339 ND1 HIS A 45 97.321 -9.489 -26.659 1.00 0.00 N ATOM 340 CD2 HIS A 45 98.697 -8.115 -25.623 1.00 0.00 C ATOM 341 CE1 HIS A 45 98.582 -9.939 -26.789 1.00 0.00 C ATOM 342 NE2 HIS A 45 99.460 -9.139 -26.176 1.00 0.00 N ATOM 0 H HIS A 45 94.721 -5.678 -24.771 1.00 0.00 H new ATOM 0 HA HIS A 45 97.266 -5.716 -25.796 1.00 0.00 H new ATOM 0 HB2 HIS A 45 95.977 -7.523 -24.499 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.256 -7.997 -26.025 1.00 0.00 H new ATOM 0 HD2 HIS A 45 99.088 -7.286 -25.051 1.00 0.00 H new ATOM 0 HE1 HIS A 45 98.852 -10.838 -27.324 1.00 0.00 H new ATOM 0 HE2 HIS A 45 100.472 -9.254 -26.125 1.00 0.00 H new ATOM 495 N PRO B 25 83.054 16.405 1.005 1.00 0.00 N ATOM 496 CA PRO B 25 82.817 15.448 -0.119 1.00 0.00 C ATOM 497 C PRO B 25 84.115 15.114 -0.859 1.00 0.00 C ATOM 498 O PRO B 25 84.141 15.022 -2.086 1.00 0.00 O ATOM 499 CB PRO B 25 81.823 16.196 -1.024 1.00 0.00 C ATOM 500 CG PRO B 25 82.075 17.644 -0.755 1.00 0.00 C ATOM 501 CD PRO B 25 82.481 17.734 0.717 1.00 0.00 C ATOM 0 HA PRO B 25 82.435 14.485 0.220 1.00 0.00 H new ATOM 0 HB2 PRO B 25 81.986 15.955 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO B 25 80.794 15.924 -0.790 1.00 0.00 H new ATOM 0 HG2 PRO B 25 82.863 18.030 -1.402 1.00 0.00 H new ATOM 0 HG3 PRO B 25 81.183 18.238 -0.951 1.00 0.00 H new ATOM 0 HD2 PRO B 25 83.209 18.528 0.884 1.00 0.00 H new ATOM 0 HD3 PRO B 25 81.624 17.947 1.356 1.00 0.00 H new ATOM 509 N LEU B 26 85.169 14.937 -0.111 1.00 0.00 N ATOM 510 CA LEU B 26 86.466 14.613 -0.696 1.00 0.00 C ATOM 511 C LEU B 26 86.453 13.203 -1.279 1.00 0.00 C ATOM 512 O LEU B 26 86.916 12.979 -2.398 1.00 0.00 O ATOM 513 CB LEU B 26 87.559 14.729 0.375 1.00 0.00 C ATOM 514 CG LEU B 26 88.918 14.280 -0.182 1.00 0.00 C ATOM 515 CD1 LEU B 26 89.257 15.069 -1.455 1.00 0.00 C ATOM 516 CD2 LEU B 26 90.000 14.529 0.876 1.00 0.00 C ATOM 0 H LEU B 26 85.168 15.009 0.906 1.00 0.00 H new ATOM 0 HA LEU B 26 86.674 15.317 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU B 26 87.626 15.760 0.723 1.00 0.00 H new ATOM 0 HB3 LEU B 26 87.295 14.118 1.238 1.00 0.00 H new ATOM 0 HG LEU B 26 88.873 13.219 -0.427 1.00 0.00 H new ATOM 0 HD11 LEU B 26 90.223 14.741 -1.840 1.00 0.00 H new ATOM 0 HD12 LEU B 26 88.488 14.894 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU B 26 89.301 16.133 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU B 26 90.968 14.213 0.488 1.00 0.00 H new ATOM 0 HD22 LEU B 26 90.035 15.591 1.117 1.00 0.00 H new ATOM 0 HD23 LEU B 26 89.767 13.960 1.776 1.00 0.00 H new ATOM 528 N VAL B 27 85.929 12.272 -0.528 1.00 0.00 N ATOM 529 CA VAL B 27 85.859 10.886 -0.976 1.00 0.00 C ATOM 530 C VAL B 27 84.838 10.729 -2.101 1.00 0.00 C ATOM 531 O VAL B 27 85.075 10.012 -3.073 1.00 0.00 O ATOM 532 CB VAL B 27 85.476 9.979 0.193 1.00 0.00 C ATOM 533 CG1 VAL B 27 85.384 8.532 -0.291 1.00 0.00 C ATOM 534 CG2 VAL B 27 86.541 10.084 1.288 1.00 0.00 C ATOM 0 H VAL B 27 85.541 12.437 0.401 1.00 0.00 H new ATOM 0 HA VAL B 27 86.840 10.600 -1.354 1.00 0.00 H new ATOM 0 HB VAL B 27 84.510 10.289 0.592 1.00 0.00 H new ATOM 0 HG11 VAL B 27 85.111 7.886 0.543 1.00 0.00 H new ATOM 0 HG12 VAL B 27 84.627 8.457 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL B 27 86.349 8.220 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL B 27 86.270 9.438 2.123 1.00 0.00 H new ATOM 0 HG22 VAL B 27 87.506 9.774 0.888 1.00 0.00 H new ATOM 0 HG23 VAL B 27 86.606 11.116 1.634 1.00 0.00 H new ATOM 544 N VAL B 28 83.723 11.394 -1.961 1.00 0.00 N ATOM 545 CA VAL B 28 82.670 11.323 -2.969 1.00 0.00 C ATOM 546 C VAL B 28 83.120 12.011 -4.255 1.00 0.00 C ATOM 547 O VAL B 28 82.957 11.475 -5.350 1.00 0.00 O ATOM 548 CB VAL B 28 81.398 11.992 -2.444 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.297 11.901 -3.503 1.00 0.00 C ATOM 550 CG2 VAL B 28 80.940 11.284 -1.164 1.00 0.00 C ATOM 0 H VAL B 28 83.509 11.994 -1.164 1.00 0.00 H new ATOM 0 HA VAL B 28 82.463 10.274 -3.183 1.00 0.00 H new ATOM 0 HB VAL B 28 81.602 13.040 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL B 28 79.391 12.378 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL B 28 80.624 12.406 -4.412 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.091 10.854 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.034 11.760 -0.789 1.00 0.00 H new ATOM 0 HG22 VAL B 28 80.736 10.236 -1.381 1.00 0.00 H new ATOM 0 HG23 VAL B 28 81.724 11.352 -0.410 1.00 0.00 H new ATOM 560 N ALA B 29 83.671 13.183 -4.113 1.00 0.00 N ATOM 561 CA ALA B 29 84.136 13.944 -5.267 1.00 0.00 C ATOM 562 C ALA B 29 85.010 13.075 -6.169 1.00 0.00 C ATOM 563 O ALA B 29 84.945 13.175 -7.394 1.00 0.00 O ATOM 564 CB ALA B 29 84.935 15.162 -4.799 1.00 0.00 C ATOM 0 H ALA B 29 83.815 13.643 -3.214 1.00 0.00 H new ATOM 0 HA ALA B 29 83.266 14.274 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA B 29 85.279 15.726 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA B 29 84.301 15.798 -4.181 1.00 0.00 H new ATOM 0 HB3 ALA B 29 85.795 14.831 -4.216 1.00 0.00 H new ATOM 570 N ALA B 30 85.814 12.244 -5.567 1.00 0.00 N ATOM 571 CA ALA B 30 86.704 11.366 -6.321 1.00 0.00 C ATOM 572 C ALA B 30 85.915 10.323 -7.114 1.00 0.00 C ATOM 573 O ALA B 30 86.343 9.894 -8.184 1.00 0.00 O ATOM 574 CB ALA B 30 87.664 10.655 -5.366 1.00 0.00 C ATOM 0 H ALA B 30 85.881 12.146 -4.554 1.00 0.00 H new ATOM 0 HA ALA B 30 87.266 11.982 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA B 30 88.325 10.001 -5.935 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.258 11.395 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA B 30 87.093 10.061 -4.652 1.00 0.00 H new ATOM 580 N SER B 31 84.789 9.922 -6.589 1.00 0.00 N ATOM 581 CA SER B 31 83.962 8.919 -7.257 1.00 0.00 C ATOM 582 C SER B 31 83.609 9.358 -8.675 1.00 0.00 C ATOM 583 O SER B 31 83.636 8.555 -9.607 1.00 0.00 O ATOM 584 CB SER B 31 82.676 8.685 -6.462 1.00 0.00 C ATOM 585 OG SER B 31 81.936 7.634 -7.069 1.00 0.00 O ATOM 0 H SER B 31 84.413 10.265 -5.705 1.00 0.00 H new ATOM 0 HA SER B 31 84.533 7.992 -7.310 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.914 8.429 -5.430 1.00 0.00 H new ATOM 0 HB3 SER B 31 82.080 9.597 -6.435 1.00 0.00 H new ATOM 0 HG SER B 31 81.112 7.479 -6.562 1.00 0.00 H new ATOM 591 N ILE B 32 83.278 10.610 -8.827 1.00 0.00 N ATOM 592 CA ILE B 32 82.915 11.143 -10.138 1.00 0.00 C ATOM 593 C ILE B 32 83.959 10.759 -11.183 1.00 0.00 C ATOM 594 O ILE B 32 83.643 10.589 -12.360 1.00 0.00 O ATOM 595 CB ILE B 32 82.805 12.669 -10.066 1.00 0.00 C ATOM 596 CG1 ILE B 32 81.986 13.075 -8.833 1.00 0.00 C ATOM 597 CG2 ILE B 32 82.121 13.192 -11.331 1.00 0.00 C ATOM 598 CD1 ILE B 32 80.661 12.308 -8.803 1.00 0.00 C ATOM 0 H ILE B 32 83.248 11.291 -8.068 1.00 0.00 H new ATOM 0 HA ILE B 32 81.954 10.719 -10.428 1.00 0.00 H new ATOM 0 HB ILE B 32 83.804 13.098 -9.989 1.00 0.00 H new ATOM 0 HG12 ILE B 32 82.554 12.869 -7.926 1.00 0.00 H new ATOM 0 HG13 ILE B 32 81.793 14.148 -8.852 1.00 0.00 H new ATOM 0 HG21 ILE B 32 82.043 14.278 -11.280 1.00 0.00 H new ATOM 0 HG22 ILE B 32 82.709 12.911 -12.205 1.00 0.00 H new ATOM 0 HG23 ILE B 32 81.124 12.760 -11.411 1.00 0.00 H new ATOM 0 HD11 ILE B 32 80.089 12.604 -7.924 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.089 12.535 -9.702 1.00 0.00 H new ATOM 0 HD13 ILE B 32 80.861 11.237 -8.761 1.00 0.00 H new ATOM 610 N ILE B 33 85.179 10.611 -10.747 1.00 0.00 N ATOM 611 CA ILE B 33 86.260 10.228 -11.648 1.00 0.00 C ATOM 612 C ILE B 33 86.117 8.762 -12.060 1.00 0.00 C ATOM 613 O ILE B 33 86.528 8.376 -13.155 1.00 0.00 O ATOM 614 CB ILE B 33 87.629 10.475 -10.984 1.00 0.00 C ATOM 615 CG1 ILE B 33 87.718 11.958 -10.547 1.00 0.00 C ATOM 616 CG2 ILE B 33 88.761 10.148 -11.980 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.178 12.381 -10.330 1.00 0.00 C ATOM 0 H ILE B 33 85.462 10.747 -9.776 1.00 0.00 H new ATOM 0 HA ILE B 33 86.199 10.844 -12.545 1.00 0.00 H new ATOM 0 HB ILE B 33 87.736 9.831 -10.111 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.261 12.593 -11.306 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.153 12.104 -9.627 1.00 0.00 H new ATOM 0 HG21 ILE B 33 89.726 10.325 -11.505 1.00 0.00 H new ATOM 0 HG22 ILE B 33 88.690 9.103 -12.281 1.00 0.00 H new ATOM 0 HG23 ILE B 33 88.667 10.785 -12.859 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.212 13.427 -10.024 1.00 0.00 H new ATOM 0 HD12 ILE B 33 89.625 11.761 -9.553 1.00 0.00 H new ATOM 0 HD13 ILE B 33 89.735 12.257 -11.259 1.00 0.00 H new ATOM 629 N GLY B 34 85.549 7.961 -11.198 1.00 0.00 N ATOM 630 CA GLY B 34 85.376 6.544 -11.498 1.00 0.00 C ATOM 631 C GLY B 34 84.376 6.335 -12.629 1.00 0.00 C ATOM 632 O GLY B 34 84.659 5.620 -13.590 1.00 0.00 O ATOM 0 H GLY B 34 85.197 8.252 -10.286 1.00 0.00 H new ATOM 0 HA2 GLY B 34 86.336 6.109 -11.774 1.00 0.00 H new ATOM 0 HA3 GLY B 34 85.033 6.020 -10.605 1.00 0.00 H new ATOM 636 N ILE B 35 83.227 6.942 -12.512 1.00 0.00 N ATOM 637 CA ILE B 35 82.200 6.801 -13.536 1.00 0.00 C ATOM 638 C ILE B 35 82.666 7.404 -14.859 1.00 0.00 C ATOM 639 O ILE B 35 82.526 6.782 -15.910 1.00 0.00 O ATOM 640 CB ILE B 35 80.897 7.472 -13.075 1.00 0.00 C ATOM 641 CG1 ILE B 35 81.178 8.926 -12.664 1.00 0.00 C ATOM 642 CG2 ILE B 35 80.325 6.706 -11.875 1.00 0.00 C ATOM 643 CD1 ILE B 35 79.934 9.533 -12.009 1.00 0.00 C ATOM 0 H ILE B 35 82.968 7.539 -11.726 1.00 0.00 H new ATOM 0 HA ILE B 35 82.015 5.738 -13.692 1.00 0.00 H new ATOM 0 HB ILE B 35 80.178 7.461 -13.894 1.00 0.00 H new ATOM 0 HG12 ILE B 35 82.018 8.961 -11.971 1.00 0.00 H new ATOM 0 HG13 ILE B 35 81.462 9.512 -13.538 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.400 7.181 -11.547 1.00 0.00 H new ATOM 0 HG22 ILE B 35 80.120 5.676 -12.165 1.00 0.00 H new ATOM 0 HG23 ILE B 35 81.047 6.716 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE B 35 80.141 10.564 -11.720 1.00 0.00 H new ATOM 0 HD12 ILE B 35 79.104 9.514 -12.716 1.00 0.00 H new ATOM 0 HD13 ILE B 35 79.670 8.954 -11.124 1.00 0.00 H new ATOM 655 N LEU B 36 83.206 8.592 -14.806 1.00 0.00 N ATOM 656 CA LEU B 36 83.676 9.254 -16.019 1.00 0.00 C ATOM 657 C LEU B 36 84.597 8.323 -16.800 1.00 0.00 C ATOM 658 O LEU B 36 84.534 8.250 -18.027 1.00 0.00 O ATOM 659 CB LEU B 36 84.423 10.544 -15.657 1.00 0.00 C ATOM 660 CG LEU B 36 84.780 11.330 -16.930 1.00 0.00 C ATOM 661 CD1 LEU B 36 83.504 11.859 -17.615 1.00 0.00 C ATOM 662 CD2 LEU B 36 85.685 12.507 -16.546 1.00 0.00 C ATOM 0 H LEU B 36 83.336 9.128 -13.948 1.00 0.00 H new ATOM 0 HA LEU B 36 82.816 9.504 -16.640 1.00 0.00 H new ATOM 0 HB2 LEU B 36 83.805 11.159 -15.003 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.331 10.303 -15.104 1.00 0.00 H new ATOM 0 HG LEU B 36 85.297 10.670 -17.627 1.00 0.00 H new ATOM 0 HD11 LEU B 36 83.776 12.412 -18.514 1.00 0.00 H new ATOM 0 HD12 LEU B 36 82.862 11.021 -17.886 1.00 0.00 H new ATOM 0 HD13 LEU B 36 82.970 12.518 -16.931 1.00 0.00 H new ATOM 0 HD21 LEU B 36 85.945 13.073 -17.441 1.00 0.00 H new ATOM 0 HD22 LEU B 36 85.160 13.157 -15.846 1.00 0.00 H new ATOM 0 HD23 LEU B 36 86.594 12.129 -16.078 1.00 0.00 H new ATOM 674 N HIS B 37 85.440 7.633 -16.086 1.00 0.00 N ATOM 675 CA HIS B 37 86.385 6.706 -16.699 1.00 0.00 C ATOM 676 C HIS B 37 85.671 5.770 -17.680 1.00 0.00 C ATOM 677 O HIS B 37 86.199 5.455 -18.746 1.00 0.00 O ATOM 678 CB HIS B 37 87.069 5.887 -15.587 1.00 0.00 C ATOM 679 CG HIS B 37 88.470 5.500 -15.985 1.00 0.00 C ATOM 680 ND1 HIS B 37 88.926 4.193 -15.906 1.00 0.00 N ATOM 681 CD2 HIS B 37 89.533 6.240 -16.439 1.00 0.00 C ATOM 682 CE1 HIS B 37 90.212 4.188 -16.300 1.00 0.00 C ATOM 683 NE2 HIS B 37 90.631 5.411 -16.635 1.00 0.00 N ATOM 0 H HIS B 37 85.502 7.687 -15.069 1.00 0.00 H new ATOM 0 HA HIS B 37 87.131 7.271 -17.258 1.00 0.00 H new ATOM 0 HB2 HIS B 37 87.097 6.469 -14.666 1.00 0.00 H new ATOM 0 HB3 HIS B 37 86.485 4.990 -15.380 1.00 0.00 H new ATOM 0 HD2 HIS B 37 89.518 7.305 -16.617 1.00 0.00 H new ATOM 0 HE1 HIS B 37 90.830 3.303 -16.340 1.00 0.00 H new ATOM 0 HE2 HIS B 37 91.558 5.679 -16.964 1.00 0.00 H new ATOM 692 N PHE B 38 84.498 5.330 -17.310 1.00 0.00 N ATOM 693 CA PHE B 38 83.728 4.421 -18.155 1.00 0.00 C ATOM 694 C PHE B 38 83.300 5.090 -19.461 1.00 0.00 C ATOM 695 O PHE B 38 83.318 4.463 -20.520 1.00 0.00 O ATOM 696 CB PHE B 38 82.486 3.934 -17.405 1.00 0.00 C ATOM 697 CG PHE B 38 81.846 2.805 -18.178 1.00 0.00 C ATOM 698 CD1 PHE B 38 80.895 3.083 -19.168 1.00 0.00 C ATOM 699 CD2 PHE B 38 82.206 1.479 -17.908 1.00 0.00 C ATOM 700 CE1 PHE B 38 80.305 2.036 -19.886 1.00 0.00 C ATOM 701 CE2 PHE B 38 81.617 0.433 -18.626 1.00 0.00 C ATOM 702 CZ PHE B 38 80.667 0.711 -19.616 1.00 0.00 C ATOM 0 H PHE B 38 84.044 5.579 -16.431 1.00 0.00 H new ATOM 0 HA PHE B 38 84.371 3.576 -18.399 1.00 0.00 H new ATOM 0 HB2 PHE B 38 82.760 3.596 -16.406 1.00 0.00 H new ATOM 0 HB3 PHE B 38 81.777 4.753 -17.282 1.00 0.00 H new ATOM 0 HD1 PHE B 38 80.617 4.105 -19.378 1.00 0.00 H new ATOM 0 HD2 PHE B 38 82.939 1.264 -17.145 1.00 0.00 H new ATOM 0 HE1 PHE B 38 79.571 2.251 -20.648 1.00 0.00 H new ATOM 0 HE2 PHE B 38 81.895 -0.589 -18.417 1.00 0.00 H new ATOM 0 HZ PHE B 38 80.213 -0.097 -20.171 1.00 0.00 H new ATOM 712 N ILE B 39 82.909 6.334 -19.383 1.00 0.00 N ATOM 713 CA ILE B 39 82.465 7.057 -20.573 1.00 0.00 C ATOM 714 C ILE B 39 83.565 7.064 -21.638 1.00 0.00 C ATOM 715 O ILE B 39 83.287 6.877 -22.818 1.00 0.00 O ATOM 716 CB ILE B 39 82.062 8.499 -20.194 1.00 0.00 C ATOM 717 CG1 ILE B 39 80.660 8.495 -19.569 1.00 0.00 C ATOM 718 CG2 ILE B 39 82.042 9.400 -21.438 1.00 0.00 C ATOM 719 CD1 ILE B 39 80.661 7.645 -18.298 1.00 0.00 C ATOM 0 H ILE B 39 82.884 6.876 -18.519 1.00 0.00 H new ATOM 0 HA ILE B 39 81.595 6.550 -20.989 1.00 0.00 H new ATOM 0 HB ILE B 39 82.793 8.883 -19.482 1.00 0.00 H new ATOM 0 HG12 ILE B 39 80.353 9.515 -19.335 1.00 0.00 H new ATOM 0 HG13 ILE B 39 79.936 8.100 -20.281 1.00 0.00 H new ATOM 0 HG21 ILE B 39 81.756 10.412 -21.150 1.00 0.00 H new ATOM 0 HG22 ILE B 39 83.034 9.418 -21.890 1.00 0.00 H new ATOM 0 HG23 ILE B 39 81.322 9.010 -22.158 1.00 0.00 H new ATOM 0 HD11 ILE B 39 79.663 7.646 -17.859 1.00 0.00 H new ATOM 0 HD12 ILE B 39 80.948 6.623 -18.544 1.00 0.00 H new ATOM 0 HD13 ILE B 39 81.372 8.060 -17.584 1.00 0.00 H new ATOM 731 N ALA B 40 84.781 7.289 -21.234 1.00 0.00 N ATOM 732 CA ALA B 40 85.889 7.315 -22.180 1.00 0.00 C ATOM 733 C ALA B 40 86.213 5.909 -22.686 1.00 0.00 C ATOM 734 O ALA B 40 86.598 5.719 -23.839 1.00 0.00 O ATOM 735 CB ALA B 40 87.124 7.911 -21.504 1.00 0.00 C ATOM 0 H ALA B 40 85.043 7.458 -20.263 1.00 0.00 H new ATOM 0 HA ALA B 40 85.598 7.929 -23.033 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.953 7.930 -22.212 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.904 8.927 -21.175 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.397 7.302 -20.642 1.00 0.00 H new ATOM 741 N TRP B 41 86.103 4.958 -21.801 1.00 0.00 N ATOM 742 CA TRP B 41 86.431 3.563 -22.101 1.00 0.00 C ATOM 743 C TRP B 41 85.684 2.996 -23.312 1.00 0.00 C ATOM 744 O TRP B 41 86.258 2.238 -24.093 1.00 0.00 O ATOM 745 CB TRP B 41 86.115 2.705 -20.877 1.00 0.00 C ATOM 746 CG TRP B 41 86.713 1.351 -21.058 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.277 0.420 -21.938 1.00 0.00 C ATOM 748 CD2 TRP B 41 87.844 0.762 -20.360 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.083 -0.700 -21.835 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.060 -0.536 -20.872 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.698 1.226 -19.343 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.089 -1.343 -20.394 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.733 0.412 -18.858 1.00 0.00 C ATOM 754 CH2 TRP B 41 89.928 -0.872 -19.385 1.00 0.00 C ATOM 0 H TRP B 41 85.784 5.113 -20.845 1.00 0.00 H new ATOM 0 HA TRP B 41 87.492 3.539 -22.350 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.513 3.174 -19.977 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.036 2.624 -20.744 1.00 0.00 H new ATOM 0 HD1 TRP B 41 85.439 0.533 -22.610 1.00 0.00 H new ATOM 0 HE1 TRP B 41 86.970 -1.542 -22.400 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.556 2.215 -18.933 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.237 -2.331 -20.804 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.382 0.776 -18.075 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.726 -1.495 -19.010 1.00 0.00 H new ATOM 765 N THR B 42 84.437 3.331 -23.457 1.00 0.00 N ATOM 766 CA THR B 42 83.660 2.804 -24.580 1.00 0.00 C ATOM 767 C THR B 42 84.326 3.173 -25.902 1.00 0.00 C ATOM 768 O THR B 42 84.282 2.408 -26.865 1.00 0.00 O ATOM 769 CB THR B 42 82.226 3.341 -24.554 1.00 0.00 C ATOM 770 OG1 THR B 42 81.701 3.355 -25.874 1.00 0.00 O ATOM 771 CG2 THR B 42 82.234 4.755 -23.993 1.00 0.00 C ATOM 0 H THR B 42 83.927 3.955 -22.832 1.00 0.00 H new ATOM 0 HA THR B 42 83.625 1.719 -24.486 1.00 0.00 H new ATOM 0 HB THR B 42 81.605 2.702 -23.927 1.00 0.00 H new ATOM 0 HG1 THR B 42 80.783 3.697 -25.857 1.00 0.00 H new ATOM 0 HG21 THR B 42 81.216 5.144 -23.972 1.00 0.00 H new ATOM 0 HG22 THR B 42 82.639 4.743 -22.981 1.00 0.00 H new ATOM 0 HG23 THR B 42 82.853 5.393 -24.624 1.00 0.00 H new ATOM 779 N ILE B 43 84.934 4.327 -25.941 1.00 0.00 N ATOM 780 CA ILE B 43 85.607 4.782 -27.153 1.00 0.00 C ATOM 781 C ILE B 43 86.748 3.834 -27.523 1.00 0.00 C ATOM 782 O ILE B 43 86.879 3.430 -28.677 1.00 0.00 O ATOM 783 CB ILE B 43 86.162 6.193 -26.938 1.00 0.00 C ATOM 784 CG1 ILE B 43 85.061 7.111 -26.388 1.00 0.00 C ATOM 785 CG2 ILE B 43 86.680 6.748 -28.267 1.00 0.00 C ATOM 786 CD1 ILE B 43 83.810 7.044 -27.274 1.00 0.00 C ATOM 0 H ILE B 43 84.984 4.977 -25.156 1.00 0.00 H new ATOM 0 HA ILE B 43 84.883 4.794 -27.968 1.00 0.00 H new ATOM 0 HB ILE B 43 86.981 6.150 -26.220 1.00 0.00 H new ATOM 0 HG12 ILE B 43 84.808 6.815 -25.370 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.425 8.137 -26.341 1.00 0.00 H new ATOM 0 HG21 ILE B 43 87.075 7.752 -28.113 1.00 0.00 H new ATOM 0 HG22 ILE B 43 87.471 6.102 -28.648 1.00 0.00 H new ATOM 0 HG23 ILE B 43 85.864 6.786 -28.988 1.00 0.00 H new ATOM 0 HD11 ILE B 43 83.041 7.701 -26.868 1.00 0.00 H new ATOM 0 HD12 ILE B 43 84.063 7.363 -28.285 1.00 0.00 H new ATOM 0 HD13 ILE B 43 83.436 6.020 -27.299 1.00 0.00 H new ATOM 798 N GLY B 44 87.560 3.499 -26.556 1.00 0.00 N ATOM 799 CA GLY B 44 88.697 2.607 -26.783 1.00 0.00 C ATOM 800 C GLY B 44 88.282 1.348 -27.541 1.00 0.00 C ATOM 801 O GLY B 44 89.087 0.751 -28.258 1.00 0.00 O ATOM 0 H GLY B 44 87.466 3.825 -25.594 1.00 0.00 H new ATOM 0 HA2 GLY B 44 89.467 3.134 -27.346 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.137 2.327 -25.826 1.00 0.00 H new ATOM 805 N HIS B 45 87.055 0.951 -27.373 1.00 0.00 N ATOM 806 CA HIS B 45 86.536 -0.242 -28.036 1.00 0.00 C ATOM 807 C HIS B 45 86.582 -0.118 -29.561 1.00 0.00 C ATOM 808 O HIS B 45 86.628 -1.126 -30.266 1.00 0.00 O ATOM 809 CB HIS B 45 85.095 -0.505 -27.596 1.00 0.00 C ATOM 810 CG HIS B 45 84.611 -1.783 -28.222 1.00 0.00 C ATOM 811 ND1 HIS B 45 83.509 -1.825 -29.062 1.00 0.00 N ATOM 812 CD2 HIS B 45 85.071 -3.074 -28.143 1.00 0.00 C ATOM 813 CE1 HIS B 45 83.344 -3.103 -29.452 1.00 0.00 C ATOM 814 NE2 HIS B 45 84.270 -3.905 -28.921 1.00 0.00 N ATOM 0 H HIS B 45 86.378 1.431 -26.780 1.00 0.00 H new ATOM 0 HA HIS B 45 87.175 -1.075 -27.744 1.00 0.00 H new ATOM 0 HB2 HIS B 45 85.041 -0.575 -26.510 1.00 0.00 H new ATOM 0 HB3 HIS B 45 84.454 0.325 -27.894 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.925 -3.396 -27.565 1.00 0.00 H new ATOM 0 HE1 HIS B 45 82.559 -3.438 -30.113 1.00 0.00 H new ATOM 0 HE2 HIS B 45 84.369 -4.911 -29.056 1.00 0.00 H new ATOM 823 N LEU B 46 86.524 1.089 -30.060 1.00 0.00 N ATOM 824 CA LEU B 46 86.510 1.316 -31.490 1.00 0.00 C ATOM 825 C LEU B 46 87.591 0.522 -32.233 1.00 0.00 C ATOM 826 O LEU B 46 87.400 0.160 -33.394 1.00 0.00 O ATOM 827 CB LEU B 46 86.629 2.827 -31.734 1.00 0.00 C ATOM 828 CG LEU B 46 88.097 3.332 -31.790 1.00 0.00 C ATOM 829 CD1 LEU B 46 88.979 2.814 -30.626 1.00 0.00 C ATOM 830 CD2 LEU B 46 88.749 3.008 -33.165 1.00 0.00 C ATOM 0 H LEU B 46 86.485 1.938 -29.497 1.00 0.00 H new ATOM 0 HA LEU B 46 85.569 0.948 -31.899 1.00 0.00 H new ATOM 0 HB2 LEU B 46 86.132 3.076 -32.671 1.00 0.00 H new ATOM 0 HB3 LEU B 46 86.101 3.358 -30.942 1.00 0.00 H new ATOM 0 HG LEU B 46 88.043 4.414 -31.670 1.00 0.00 H new ATOM 0 HD11 LEU B 46 89.990 3.208 -30.732 1.00 0.00 H new ATOM 0 HD12 LEU B 46 88.559 3.144 -29.676 1.00 0.00 H new ATOM 0 HD13 LEU B 46 89.010 1.725 -30.650 1.00 0.00 H new ATOM 0 HD21 LEU B 46 89.776 3.373 -33.176 1.00 0.00 H new ATOM 0 HD22 LEU B 46 88.745 1.930 -33.324 1.00 0.00 H new ATOM 0 HD23 LEU B 46 88.183 3.494 -33.960 1.00 0.00 H new ATOM 842 N ASN B 47 88.702 0.267 -31.601 1.00 0.00 N ATOM 843 CA ASN B 47 89.782 -0.475 -32.256 1.00 0.00 C ATOM 844 C ASN B 47 89.354 -1.893 -32.662 1.00 0.00 C ATOM 845 O ASN B 47 89.563 -2.303 -33.804 1.00 0.00 O ATOM 846 CB ASN B 47 90.994 -0.555 -31.325 1.00 0.00 C ATOM 847 CG ASN B 47 90.598 -1.189 -29.996 1.00 0.00 C ATOM 848 OD1 ASN B 47 89.414 -1.252 -29.664 1.00 0.00 O ATOM 849 ND2 ASN B 47 91.526 -1.666 -29.212 1.00 0.00 N ATOM 0 H ASN B 47 88.898 0.552 -30.641 1.00 0.00 H new ATOM 0 HA ASN B 47 90.040 0.065 -33.167 1.00 0.00 H new ATOM 0 HB2 ASN B 47 91.784 -1.141 -31.795 1.00 0.00 H new ATOM 0 HB3 ASN B 47 91.397 0.443 -31.154 1.00 0.00 H new ATOM 0 HD21 ASN B 47 91.271 -2.093 -28.321 1.00 0.00 H new ATOM 0 HD22 ASN B 47 92.506 -1.612 -29.490 1.00 0.00 H new ATOM 856 N GLN B 48 88.783 -2.631 -31.744 1.00 0.00 N ATOM 857 CA GLN B 48 88.357 -4.005 -32.024 1.00 0.00 C ATOM 858 C GLN B 48 87.342 -4.071 -33.160 1.00 0.00 C ATOM 859 O GLN B 48 87.514 -4.822 -34.121 1.00 0.00 O ATOM 860 CB GLN B 48 87.741 -4.618 -30.762 1.00 0.00 C ATOM 861 CG GLN B 48 87.290 -6.054 -31.047 1.00 0.00 C ATOM 862 CD GLN B 48 86.863 -6.731 -29.750 1.00 0.00 C ATOM 863 OE1 GLN B 48 87.233 -6.284 -28.664 1.00 0.00 O ATOM 864 NE2 GLN B 48 86.098 -7.789 -29.795 1.00 0.00 N ATOM 0 H GLN B 48 88.596 -2.316 -30.792 1.00 0.00 H new ATOM 0 HA GLN B 48 89.240 -4.566 -32.330 1.00 0.00 H new ATOM 0 HB2 GLN B 48 88.469 -4.610 -29.951 1.00 0.00 H new ATOM 0 HB3 GLN B 48 86.892 -4.019 -30.434 1.00 0.00 H new ATOM 0 HG2 GLN B 48 86.462 -6.050 -31.755 1.00 0.00 H new ATOM 0 HG3 GLN B 48 88.102 -6.614 -31.510 1.00 0.00 H new ATOM 0 HE21 GLN B 48 85.792 -8.159 -30.695 1.00 0.00 H new ATOM 0 HE22 GLN B 48 85.807 -8.245 -28.930 1.00 0.00 H new ATOM 873 N ILE B 49 86.301 -3.310 -33.036 1.00 0.00 N ATOM 874 CA ILE B 49 85.246 -3.298 -34.054 1.00 0.00 C ATOM 875 C ILE B 49 85.796 -2.858 -35.416 1.00 0.00 C ATOM 876 O ILE B 49 85.847 -3.658 -36.351 1.00 0.00 O ATOM 877 CB ILE B 49 84.075 -2.395 -33.616 1.00 0.00 C ATOM 878 CG1 ILE B 49 83.066 -2.235 -34.766 1.00 0.00 C ATOM 879 CG2 ILE B 49 84.590 -1.012 -33.192 1.00 0.00 C ATOM 880 CD1 ILE B 49 82.664 -3.609 -35.310 1.00 0.00 C ATOM 0 H ILE B 49 86.140 -2.682 -32.248 1.00 0.00 H new ATOM 0 HA ILE B 49 84.870 -4.316 -34.160 1.00 0.00 H new ATOM 0 HB ILE B 49 83.581 -2.867 -32.766 1.00 0.00 H new ATOM 0 HG12 ILE B 49 82.183 -1.702 -34.413 1.00 0.00 H new ATOM 0 HG13 ILE B 49 83.504 -1.634 -35.563 1.00 0.00 H new ATOM 0 HG21 ILE B 49 83.750 -0.389 -32.886 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.283 -1.122 -32.358 1.00 0.00 H new ATOM 0 HG23 ILE B 49 85.104 -0.542 -34.031 1.00 0.00 H new ATOM 0 HD11 ILE B 49 81.950 -3.483 -36.124 1.00 0.00 H new ATOM 0 HD12 ILE B 49 83.549 -4.127 -35.681 1.00 0.00 H new ATOM 0 HD13 ILE B 49 82.207 -4.196 -34.513 1.00 0.00 H new ATOM 967 N PRO C 25 95.237 8.680 5.443 1.00 0.00 N ATOM 968 CA PRO C 25 95.519 9.361 4.145 1.00 0.00 C ATOM 969 C PRO C 25 95.797 8.356 3.027 1.00 0.00 C ATOM 970 O PRO C 25 96.207 8.728 1.928 1.00 0.00 O ATOM 971 CB PRO C 25 96.765 10.196 4.460 1.00 0.00 C ATOM 972 CG PRO C 25 97.491 9.401 5.496 1.00 0.00 C ATOM 973 CD PRO C 25 96.407 8.721 6.343 1.00 0.00 C ATOM 0 HA PRO C 25 94.678 9.955 3.786 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.378 10.346 3.572 1.00 0.00 H new ATOM 0 HB3 PRO C 25 96.497 11.185 4.833 1.00 0.00 H new ATOM 0 HG2 PRO C 25 98.145 8.662 5.033 1.00 0.00 H new ATOM 0 HG3 PRO C 25 98.121 10.044 6.111 1.00 0.00 H new ATOM 0 HD2 PRO C 25 96.709 7.721 6.653 1.00 0.00 H new ATOM 0 HD3 PRO C 25 96.195 9.286 7.251 1.00 0.00 H new ATOM 981 N LEU C 26 95.578 7.103 3.320 1.00 0.00 N ATOM 982 CA LEU C 26 95.811 6.045 2.343 1.00 0.00 C ATOM 983 C LEU C 26 94.778 6.097 1.220 1.00 0.00 C ATOM 984 O LEU C 26 95.117 5.933 0.048 1.00 0.00 O ATOM 985 CB LEU C 26 95.755 4.679 3.044 1.00 0.00 C ATOM 986 CG LEU C 26 95.911 3.536 2.025 1.00 0.00 C ATOM 987 CD1 LEU C 26 97.209 3.713 1.222 1.00 0.00 C ATOM 988 CD2 LEU C 26 95.952 2.199 2.776 1.00 0.00 C ATOM 0 H LEU C 26 95.238 6.778 4.225 1.00 0.00 H new ATOM 0 HA LEU C 26 96.797 6.192 1.902 1.00 0.00 H new ATOM 0 HB2 LEU C 26 96.545 4.616 3.792 1.00 0.00 H new ATOM 0 HB3 LEU C 26 94.807 4.575 3.572 1.00 0.00 H new ATOM 0 HG LEU C 26 95.067 3.551 1.336 1.00 0.00 H new ATOM 0 HD11 LEU C 26 97.307 2.898 0.505 1.00 0.00 H new ATOM 0 HD12 LEU C 26 97.181 4.664 0.689 1.00 0.00 H new ATOM 0 HD13 LEU C 26 98.061 3.703 1.901 1.00 0.00 H new ATOM 0 HD21 LEU C 26 96.062 1.383 2.061 1.00 0.00 H new ATOM 0 HD22 LEU C 26 96.797 2.194 3.465 1.00 0.00 H new ATOM 0 HD23 LEU C 26 95.026 2.068 3.336 1.00 0.00 H new ATOM 1000 N VAL C 27 93.542 6.312 1.577 1.00 0.00 N ATOM 1001 CA VAL C 27 92.471 6.374 0.588 1.00 0.00 C ATOM 1002 C VAL C 27 92.580 7.635 -0.265 1.00 0.00 C ATOM 1003 O VAL C 27 92.430 7.583 -1.487 1.00 0.00 O ATOM 1004 CB VAL C 27 91.113 6.349 1.292 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.997 6.463 0.253 1.00 0.00 C ATOM 1006 CG2 VAL C 27 90.962 5.034 2.061 1.00 0.00 C ATOM 0 H VAL C 27 93.239 6.449 2.541 1.00 0.00 H new ATOM 0 HA VAL C 27 92.564 5.507 -0.066 1.00 0.00 H new ATOM 0 HB VAL C 27 91.048 7.186 1.987 1.00 0.00 H new ATOM 0 HG11 VAL C 27 89.030 6.445 0.755 1.00 0.00 H new ATOM 0 HG12 VAL C 27 90.104 7.399 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL C 27 90.060 5.626 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL C 27 89.995 5.015 2.563 1.00 0.00 H new ATOM 0 HG22 VAL C 27 91.027 4.197 1.366 1.00 0.00 H new ATOM 0 HG23 VAL C 27 91.757 4.953 2.802 1.00 0.00 H new ATOM 1016 N VAL C 28 92.835 8.743 0.372 1.00 0.00 N ATOM 1017 CA VAL C 28 92.958 10.011 -0.339 1.00 0.00 C ATOM 1018 C VAL C 28 94.195 10.006 -1.233 1.00 0.00 C ATOM 1019 O VAL C 28 94.136 10.400 -2.397 1.00 0.00 O ATOM 1020 CB VAL C 28 93.044 11.167 0.661 1.00 0.00 C ATOM 1021 CG1 VAL C 28 93.272 12.481 -0.088 1.00 0.00 C ATOM 1022 CG2 VAL C 28 91.737 11.253 1.452 1.00 0.00 C ATOM 0 H VAL C 28 92.964 8.807 1.382 1.00 0.00 H new ATOM 0 HA VAL C 28 92.075 10.143 -0.965 1.00 0.00 H new ATOM 0 HB VAL C 28 93.875 10.992 1.344 1.00 0.00 H new ATOM 0 HG11 VAL C 28 93.333 13.302 0.627 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.203 12.422 -0.652 1.00 0.00 H new ATOM 0 HG13 VAL C 28 92.443 12.658 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL C 28 91.796 12.076 2.165 1.00 0.00 H new ATOM 0 HG22 VAL C 28 90.907 11.426 0.766 1.00 0.00 H new ATOM 0 HG23 VAL C 28 91.575 10.319 1.989 1.00 0.00 H new ATOM 1032 N ALA C 29 95.296 9.570 -0.683 1.00 0.00 N ATOM 1033 CA ALA C 29 96.547 9.525 -1.433 1.00 0.00 C ATOM 1034 C ALA C 29 96.380 8.732 -2.724 1.00 0.00 C ATOM 1035 O ALA C 29 96.849 9.151 -3.780 1.00 0.00 O ATOM 1036 CB ALA C 29 97.646 8.889 -0.579 1.00 0.00 C ATOM 0 H ALA C 29 95.364 9.239 0.279 1.00 0.00 H new ATOM 0 HA ALA C 29 96.828 10.547 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.576 8.859 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.791 9.479 0.326 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.354 7.875 -0.307 1.00 0.00 H new ATOM 1042 N ALA C 30 95.726 7.606 -2.637 1.00 0.00 N ATOM 1043 CA ALA C 30 95.512 6.764 -3.811 1.00 0.00 C ATOM 1044 C ALA C 30 94.676 7.494 -4.861 1.00 0.00 C ATOM 1045 O ALA C 30 94.810 7.243 -6.059 1.00 0.00 O ATOM 1046 CB ALA C 30 94.806 5.471 -3.401 1.00 0.00 C ATOM 0 H ALA C 30 95.328 7.240 -1.772 1.00 0.00 H new ATOM 0 HA ALA C 30 96.484 6.529 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA C 30 94.649 4.847 -4.281 1.00 0.00 H new ATOM 0 HB2 ALA C 30 95.422 4.933 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.843 5.710 -2.949 1.00 0.00 H new ATOM 1052 N SER C 31 93.825 8.372 -4.410 1.00 0.00 N ATOM 1053 CA SER C 31 92.961 9.128 -5.315 1.00 0.00 C ATOM 1054 C SER C 31 93.769 9.769 -6.443 1.00 0.00 C ATOM 1055 O SER C 31 93.342 9.773 -7.597 1.00 0.00 O ATOM 1056 CB SER C 31 92.221 10.218 -4.538 1.00 0.00 C ATOM 1057 OG SER C 31 91.122 10.681 -5.311 1.00 0.00 O ATOM 0 H SER C 31 93.700 8.592 -3.422 1.00 0.00 H new ATOM 0 HA SER C 31 92.244 8.434 -5.754 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.870 9.826 -3.584 1.00 0.00 H new ATOM 0 HB3 SER C 31 92.897 11.044 -4.314 1.00 0.00 H new ATOM 0 HG SER C 31 90.644 11.379 -4.815 1.00 0.00 H new ATOM 1063 N ILE C 32 94.908 10.310 -6.108 1.00 0.00 N ATOM 1064 CA ILE C 32 95.759 10.964 -7.101 1.00 0.00 C ATOM 1065 C ILE C 32 95.973 10.070 -8.325 1.00 0.00 C ATOM 1066 O ILE C 32 96.188 10.559 -9.434 1.00 0.00 O ATOM 1067 CB ILE C 32 97.117 11.319 -6.476 1.00 0.00 C ATOM 1068 CG1 ILE C 32 97.846 12.330 -7.373 1.00 0.00 C ATOM 1069 CG2 ILE C 32 97.978 10.052 -6.324 1.00 0.00 C ATOM 1070 CD1 ILE C 32 99.104 12.834 -6.662 1.00 0.00 C ATOM 0 H ILE C 32 95.281 10.318 -5.158 1.00 0.00 H new ATOM 0 HA ILE C 32 95.256 11.875 -7.427 1.00 0.00 H new ATOM 0 HB ILE C 32 96.951 11.756 -5.491 1.00 0.00 H new ATOM 0 HG12 ILE C 32 98.114 11.863 -8.321 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.187 13.167 -7.605 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.938 10.316 -5.880 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.464 9.338 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.142 9.604 -7.304 1.00 0.00 H new ATOM 0 HD11 ILE C 32 99.620 13.551 -7.300 1.00 0.00 H new ATOM 0 HD12 ILE C 32 98.824 13.317 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE C 32 99.765 11.993 -6.453 1.00 0.00 H new ATOM 1082 N ILE C 33 95.930 8.786 -8.111 1.00 0.00 N ATOM 1083 CA ILE C 33 96.142 7.826 -9.194 1.00 0.00 C ATOM 1084 C ILE C 33 95.018 7.906 -10.231 1.00 0.00 C ATOM 1085 O ILE C 33 95.249 7.679 -11.418 1.00 0.00 O ATOM 1086 CB ILE C 33 96.240 6.394 -8.624 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.385 6.339 -7.584 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.523 5.392 -9.764 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.792 4.887 -7.302 1.00 0.00 C ATOM 0 H ILE C 33 95.751 8.364 -7.200 1.00 0.00 H new ATOM 0 HA ILE C 33 97.079 8.077 -9.691 1.00 0.00 H new ATOM 0 HB ILE C 33 95.297 6.128 -8.146 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.245 6.898 -7.953 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.066 6.819 -6.659 1.00 0.00 H new ATOM 0 HG21 ILE C 33 96.591 4.384 -9.354 1.00 0.00 H new ATOM 0 HG22 ILE C 33 95.714 5.433 -10.494 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.464 5.650 -10.250 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.598 4.871 -6.568 1.00 0.00 H new ATOM 0 HD12 ILE C 33 96.935 4.338 -6.911 1.00 0.00 H new ATOM 0 HD13 ILE C 33 98.132 4.419 -8.225 1.00 0.00 H new ATOM 1101 N GLY C 34 93.826 8.198 -9.792 1.00 0.00 N ATOM 1102 CA GLY C 34 92.689 8.268 -10.707 1.00 0.00 C ATOM 1103 C GLY C 34 92.790 9.454 -11.663 1.00 0.00 C ATOM 1104 O GLY C 34 92.641 9.296 -12.875 1.00 0.00 O ATOM 0 H GLY C 34 93.603 8.392 -8.816 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.630 7.344 -11.282 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.766 8.345 -10.132 1.00 0.00 H new ATOM 1108 N ILE C 35 93.031 10.615 -11.131 1.00 0.00 N ATOM 1109 CA ILE C 35 93.140 11.810 -11.958 1.00 0.00 C ATOM 1110 C ILE C 35 94.392 11.745 -12.831 1.00 0.00 C ATOM 1111 O ILE C 35 94.433 12.317 -13.919 1.00 0.00 O ATOM 1112 CB ILE C 35 93.178 13.057 -11.066 1.00 0.00 C ATOM 1113 CG1 ILE C 35 93.413 14.320 -11.911 1.00 0.00 C ATOM 1114 CG2 ILE C 35 94.303 12.915 -10.044 1.00 0.00 C ATOM 1115 CD1 ILE C 35 92.345 14.433 -13.006 1.00 0.00 C ATOM 0 H ILE C 35 93.158 10.774 -10.132 1.00 0.00 H new ATOM 0 HA ILE C 35 92.269 11.866 -12.612 1.00 0.00 H new ATOM 0 HB ILE C 35 92.220 13.151 -10.555 1.00 0.00 H new ATOM 0 HG12 ILE C 35 93.385 15.203 -11.273 1.00 0.00 H new ATOM 0 HG13 ILE C 35 94.404 14.285 -12.363 1.00 0.00 H new ATOM 0 HG21 ILE C 35 94.332 13.800 -9.409 1.00 0.00 H new ATOM 0 HG22 ILE C 35 94.126 12.033 -9.429 1.00 0.00 H new ATOM 0 HG23 ILE C 35 95.255 12.810 -10.564 1.00 0.00 H new ATOM 0 HD11 ILE C 35 92.523 15.332 -13.597 1.00 0.00 H new ATOM 0 HD12 ILE C 35 92.394 13.557 -13.653 1.00 0.00 H new ATOM 0 HD13 ILE C 35 91.358 14.490 -12.547 1.00 0.00 H new ATOM 1127 N LEU C 36 95.399 11.072 -12.346 1.00 0.00 N ATOM 1128 CA LEU C 36 96.655 10.958 -13.080 1.00 0.00 C ATOM 1129 C LEU C 36 96.463 10.261 -14.430 1.00 0.00 C ATOM 1130 O LEU C 36 96.924 10.759 -15.456 1.00 0.00 O ATOM 1131 CB LEU C 36 97.673 10.182 -12.231 1.00 0.00 C ATOM 1132 CG LEU C 36 98.964 9.927 -13.023 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.514 11.247 -13.579 1.00 0.00 C ATOM 1134 CD2 LEU C 36 100.001 9.297 -12.088 1.00 0.00 C ATOM 0 H LEU C 36 95.387 10.590 -11.447 1.00 0.00 H new ATOM 0 HA LEU C 36 97.024 11.964 -13.279 1.00 0.00 H new ATOM 0 HB2 LEU C 36 97.902 10.744 -11.326 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.241 9.232 -11.916 1.00 0.00 H new ATOM 0 HG LEU C 36 98.752 9.256 -13.856 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.429 11.053 -14.138 1.00 0.00 H new ATOM 0 HD12 LEU C 36 98.774 11.700 -14.239 1.00 0.00 H new ATOM 0 HD13 LEU C 36 99.730 11.927 -12.755 1.00 0.00 H new ATOM 0 HD21 LEU C 36 100.923 9.111 -12.639 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.204 9.976 -11.260 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.615 8.355 -11.699 1.00 0.00 H new ATOM 1146 N HIS C 37 95.822 9.121 -14.428 1.00 0.00 N ATOM 1147 CA HIS C 37 95.625 8.378 -15.674 1.00 0.00 C ATOM 1148 C HIS C 37 94.944 9.233 -16.741 1.00 0.00 C ATOM 1149 O HIS C 37 95.142 9.012 -17.936 1.00 0.00 O ATOM 1150 CB HIS C 37 94.816 7.096 -15.425 1.00 0.00 C ATOM 1151 CG HIS C 37 93.399 7.424 -15.042 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.628 8.337 -15.745 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.597 6.957 -14.032 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.422 8.393 -15.150 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.350 7.570 -14.101 1.00 0.00 N ATOM 0 H HIS C 37 95.427 8.681 -13.597 1.00 0.00 H new ATOM 0 HA HIS C 37 96.613 8.104 -16.045 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.821 6.478 -16.323 1.00 0.00 H new ATOM 0 HB3 HIS C 37 95.286 6.512 -14.633 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.889 6.224 -13.295 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.612 9.026 -15.481 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.552 7.422 -13.483 1.00 0.00 H new ATOM 1164 N PHE C 38 94.148 10.178 -16.325 1.00 0.00 N ATOM 1165 CA PHE C 38 93.440 11.037 -17.271 1.00 0.00 C ATOM 1166 C PHE C 38 94.411 11.767 -18.198 1.00 0.00 C ATOM 1167 O PHE C 38 94.184 11.847 -19.404 1.00 0.00 O ATOM 1168 CB PHE C 38 92.587 12.057 -16.512 1.00 0.00 C ATOM 1169 CG PHE C 38 91.682 12.777 -17.482 1.00 0.00 C ATOM 1170 CD1 PHE C 38 92.139 13.915 -18.154 1.00 0.00 C ATOM 1171 CD2 PHE C 38 90.382 12.306 -17.706 1.00 0.00 C ATOM 1172 CE1 PHE C 38 91.298 14.583 -19.053 1.00 0.00 C ATOM 1173 CE2 PHE C 38 89.542 12.974 -18.604 1.00 0.00 C ATOM 1174 CZ PHE C 38 89.999 14.112 -19.278 1.00 0.00 C ATOM 0 H PHE C 38 93.965 10.383 -15.343 1.00 0.00 H new ATOM 0 HA PHE C 38 92.798 10.403 -17.883 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.993 11.554 -15.749 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.228 12.772 -15.997 1.00 0.00 H new ATOM 0 HD1 PHE C 38 93.141 14.279 -17.980 1.00 0.00 H new ATOM 0 HD2 PHE C 38 90.028 11.428 -17.186 1.00 0.00 H new ATOM 0 HE1 PHE C 38 91.652 15.461 -19.573 1.00 0.00 H new ATOM 0 HE2 PHE C 38 88.540 12.611 -18.777 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.350 14.627 -19.971 1.00 0.00 H new ATOM 1184 N ILE C 39 95.467 12.295 -17.642 1.00 0.00 N ATOM 1185 CA ILE C 39 96.448 13.023 -18.443 1.00 0.00 C ATOM 1186 C ILE C 39 96.986 12.149 -19.574 1.00 0.00 C ATOM 1187 O ILE C 39 97.042 12.578 -20.727 1.00 0.00 O ATOM 1188 CB ILE C 39 97.608 13.487 -17.559 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.064 14.369 -16.432 1.00 0.00 C ATOM 1190 CG2 ILE C 39 98.605 14.291 -18.398 1.00 0.00 C ATOM 1191 CD1 ILE C 39 98.182 14.672 -15.433 1.00 0.00 C ATOM 0 H ILE C 39 95.681 12.243 -16.646 1.00 0.00 H new ATOM 0 HA ILE C 39 95.952 13.890 -18.879 1.00 0.00 H new ATOM 0 HB ILE C 39 98.111 12.618 -17.135 1.00 0.00 H new ATOM 0 HG12 ILE C 39 96.668 15.298 -16.842 1.00 0.00 H new ATOM 0 HG13 ILE C 39 96.239 13.865 -15.928 1.00 0.00 H new ATOM 0 HG21 ILE C 39 99.430 14.620 -17.766 1.00 0.00 H new ATOM 0 HG22 ILE C 39 98.991 13.665 -19.202 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.104 15.161 -18.823 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.793 15.300 -14.631 1.00 0.00 H new ATOM 0 HD12 ILE C 39 98.558 13.739 -15.013 1.00 0.00 H new ATOM 0 HD13 ILE C 39 98.993 15.193 -15.942 1.00 0.00 H new ATOM 1203 N ALA C 40 97.376 10.948 -19.247 1.00 0.00 N ATOM 1204 CA ALA C 40 97.909 10.030 -20.249 1.00 0.00 C ATOM 1205 C ALA C 40 96.807 9.564 -21.196 1.00 0.00 C ATOM 1206 O ALA C 40 97.049 9.331 -22.380 1.00 0.00 O ATOM 1207 CB ALA C 40 98.544 8.818 -19.564 1.00 0.00 C ATOM 0 H ALA C 40 97.340 10.571 -18.300 1.00 0.00 H new ATOM 0 HA ALA C 40 98.667 10.558 -20.828 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.939 8.139 -20.319 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.355 9.150 -18.915 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.791 8.301 -18.969 1.00 0.00 H new ATOM 1213 N TRP C 41 95.622 9.418 -20.670 1.00 0.00 N ATOM 1214 CA TRP C 41 94.488 8.963 -21.467 1.00 0.00 C ATOM 1215 C TRP C 41 94.397 9.752 -22.768 1.00 0.00 C ATOM 1216 O TRP C 41 93.952 9.236 -23.792 1.00 0.00 O ATOM 1217 CB TRP C 41 93.196 9.141 -20.664 1.00 0.00 C ATOM 1218 CG TRP C 41 92.067 8.454 -21.359 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.503 8.862 -22.519 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.344 7.256 -20.953 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.489 7.985 -22.856 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.352 6.980 -21.922 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.453 6.387 -19.852 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.499 5.885 -21.802 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.590 5.284 -19.729 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.617 5.035 -20.704 1.00 0.00 C ATOM 0 H TRP C 41 95.404 9.605 -19.691 1.00 0.00 H new ATOM 0 HA TRP C 41 94.628 7.909 -21.709 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.321 8.731 -19.662 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.972 10.202 -20.549 1.00 0.00 H new ATOM 0 HD1 TRP C 41 91.797 9.731 -23.089 1.00 0.00 H new ATOM 0 HE1 TRP C 41 89.913 8.071 -23.693 1.00 0.00 H new ATOM 0 HE3 TRP C 41 92.204 6.568 -19.097 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.750 5.696 -22.556 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.678 4.625 -18.878 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.958 4.185 -20.605 1.00 0.00 H new ATOM 1237 N THR C 42 94.834 10.977 -22.723 1.00 0.00 N ATOM 1238 CA THR C 42 94.809 11.826 -23.908 1.00 0.00 C ATOM 1239 C THR C 42 95.573 11.168 -25.059 1.00 0.00 C ATOM 1240 O THR C 42 95.164 11.254 -26.217 1.00 0.00 O ATOM 1241 CB THR C 42 95.434 13.186 -23.586 1.00 0.00 C ATOM 1242 OG1 THR C 42 96.730 12.991 -23.037 1.00 0.00 O ATOM 1243 CG2 THR C 42 94.556 13.926 -22.576 1.00 0.00 C ATOM 0 H THR C 42 95.214 11.422 -21.887 1.00 0.00 H new ATOM 0 HA THR C 42 93.772 11.965 -24.212 1.00 0.00 H new ATOM 0 HB THR C 42 95.511 13.777 -24.499 1.00 0.00 H new ATOM 0 HG1 THR C 42 96.704 13.153 -22.071 1.00 0.00 H new ATOM 0 HG21 THR C 42 95.001 14.894 -22.347 1.00 0.00 H new ATOM 0 HG22 THR C 42 93.562 14.075 -22.998 1.00 0.00 H new ATOM 0 HG23 THR C 42 94.478 13.337 -21.662 1.00 0.00 H new ATOM 1251 N ILE C 43 96.666 10.532 -24.735 1.00 0.00 N ATOM 1252 CA ILE C 43 97.489 9.870 -25.747 1.00 0.00 C ATOM 1253 C ILE C 43 96.722 8.723 -26.415 1.00 0.00 C ATOM 1254 O ILE C 43 96.693 8.618 -27.640 1.00 0.00 O ATOM 1255 CB ILE C 43 98.784 9.341 -25.097 1.00 0.00 C ATOM 1256 CG1 ILE C 43 99.741 10.513 -24.836 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.477 8.334 -26.027 1.00 0.00 C ATOM 1258 CD1 ILE C 43 99.084 11.531 -23.898 1.00 0.00 C ATOM 0 H ILE C 43 97.019 10.450 -23.782 1.00 0.00 H new ATOM 0 HA ILE C 43 97.743 10.597 -26.518 1.00 0.00 H new ATOM 0 HB ILE C 43 98.527 8.848 -24.159 1.00 0.00 H new ATOM 0 HG12 ILE C 43 100.667 10.145 -24.394 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.006 10.993 -25.778 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.389 7.970 -25.554 1.00 0.00 H new ATOM 0 HG22 ILE C 43 98.808 7.495 -26.218 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.727 8.821 -26.970 1.00 0.00 H new ATOM 0 HD11 ILE C 43 99.771 12.358 -23.720 1.00 0.00 H new ATOM 0 HD12 ILE C 43 98.170 11.911 -24.356 1.00 0.00 H new ATOM 0 HD13 ILE C 43 98.842 11.049 -22.951 1.00 0.00 H new ATOM 1270 N GLY C 44 96.140 7.870 -25.618 1.00 0.00 N ATOM 1271 CA GLY C 44 95.409 6.718 -26.142 1.00 0.00 C ATOM 1272 C GLY C 44 94.451 7.110 -27.264 1.00 0.00 C ATOM 1273 O GLY C 44 94.153 6.300 -28.140 1.00 0.00 O ATOM 0 H GLY C 44 96.150 7.939 -24.600 1.00 0.00 H new ATOM 0 HA2 GLY C 44 96.118 5.977 -26.513 1.00 0.00 H new ATOM 0 HA3 GLY C 44 94.848 6.247 -25.335 1.00 0.00 H new ATOM 1277 N HIS C 45 93.978 8.321 -27.232 1.00 0.00 N ATOM 1278 CA HIS C 45 93.047 8.802 -28.248 1.00 0.00 C ATOM 1279 C HIS C 45 93.546 8.498 -29.663 1.00 0.00 C ATOM 1280 O HIS C 45 92.749 8.389 -30.595 1.00 0.00 O ATOM 1281 CB HIS C 45 92.846 10.309 -28.093 1.00 0.00 C ATOM 1282 CG HIS C 45 91.674 10.744 -28.931 1.00 0.00 C ATOM 1283 ND1 HIS C 45 91.788 11.709 -29.921 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.360 10.350 -28.941 1.00 0.00 C ATOM 1285 CE1 HIS C 45 90.572 11.860 -30.479 1.00 0.00 C ATOM 1286 NE2 HIS C 45 89.666 11.056 -29.918 1.00 0.00 N ATOM 0 H HIS C 45 94.214 9.008 -26.516 1.00 0.00 H new ATOM 0 HA HIS C 45 92.100 8.281 -28.104 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.672 10.558 -27.046 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.746 10.841 -28.402 1.00 0.00 H new ATOM 0 HD2 HIS C 45 89.930 9.604 -28.289 1.00 0.00 H new ATOM 0 HE1 HIS C 45 90.356 12.548 -31.283 1.00 0.00 H new ATOM 0 HE2 HIS C 45 88.677 10.976 -30.155 1.00 0.00 H new ATOM 1295 N LEU C 46 94.840 8.412 -29.827 1.00 0.00 N ATOM 1296 CA LEU C 46 95.412 8.178 -31.152 1.00 0.00 C ATOM 1297 C LEU C 46 94.675 7.059 -31.888 1.00 0.00 C ATOM 1298 O LEU C 46 94.422 7.174 -33.087 1.00 0.00 O ATOM 1299 CB LEU C 46 96.912 7.837 -31.034 1.00 0.00 C ATOM 1300 CG LEU C 46 97.122 6.447 -30.367 1.00 0.00 C ATOM 1301 CD1 LEU C 46 97.324 5.354 -31.438 1.00 0.00 C ATOM 1302 CD2 LEU C 46 98.366 6.482 -29.460 1.00 0.00 C ATOM 0 H LEU C 46 95.523 8.498 -29.075 1.00 0.00 H new ATOM 0 HA LEU C 46 95.298 9.094 -31.731 1.00 0.00 H new ATOM 0 HB2 LEU C 46 97.368 7.841 -32.024 1.00 0.00 H new ATOM 0 HB3 LEU C 46 97.417 8.605 -30.448 1.00 0.00 H new ATOM 0 HG LEU C 46 96.234 6.217 -29.778 1.00 0.00 H new ATOM 0 HD11 LEU C 46 97.469 4.390 -30.951 1.00 0.00 H new ATOM 0 HD12 LEU C 46 96.445 5.307 -32.081 1.00 0.00 H new ATOM 0 HD13 LEU C 46 98.201 5.592 -32.040 1.00 0.00 H new ATOM 0 HD21 LEU C 46 98.506 5.505 -28.997 1.00 0.00 H new ATOM 0 HD22 LEU C 46 99.244 6.730 -30.056 1.00 0.00 H new ATOM 0 HD23 LEU C 46 98.230 7.235 -28.684 1.00 0.00 H new ATOM 1427 N ASP D 24 87.279 -2.721 7.927 1.00 0.00 N ATOM 1428 CA ASP D 24 87.807 -3.747 7.028 1.00 0.00 C ATOM 1429 C ASP D 24 88.602 -3.097 5.891 1.00 0.00 C ATOM 1430 O ASP D 24 88.308 -1.967 5.499 1.00 0.00 O ATOM 1431 CB ASP D 24 86.648 -4.562 6.444 1.00 0.00 C ATOM 1432 CG ASP D 24 86.099 -5.522 7.495 1.00 0.00 C ATOM 1433 OD1 ASP D 24 85.972 -5.109 8.636 1.00 0.00 O ATOM 1434 OD2 ASP D 24 85.816 -6.655 7.145 1.00 0.00 O ATOM 0 HA ASP D 24 88.469 -4.404 7.591 1.00 0.00 H new ATOM 0 HB2 ASP D 24 85.858 -3.893 6.104 1.00 0.00 H new ATOM 0 HB3 ASP D 24 86.989 -5.121 5.573 1.00 0.00 H new ATOM 1439 N PRO D 25 89.591 -3.774 5.350 1.00 0.00 N ATOM 1440 CA PRO D 25 90.418 -3.221 4.233 1.00 0.00 C ATOM 1441 C PRO D 25 89.659 -3.237 2.903 1.00 0.00 C ATOM 1442 O PRO D 25 90.251 -3.432 1.842 1.00 0.00 O ATOM 1443 CB PRO D 25 91.628 -4.164 4.193 1.00 0.00 C ATOM 1444 CG PRO D 25 91.096 -5.473 4.678 1.00 0.00 C ATOM 1445 CD PRO D 25 90.039 -5.130 5.731 1.00 0.00 C ATOM 0 HA PRO D 25 90.691 -2.177 4.388 1.00 0.00 H new ATOM 0 HB2 PRO D 25 92.032 -4.249 3.184 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.435 -3.802 4.831 1.00 0.00 H new ATOM 0 HG2 PRO D 25 90.661 -6.046 3.859 1.00 0.00 H new ATOM 0 HG3 PRO D 25 91.891 -6.083 5.106 1.00 0.00 H new ATOM 0 HD2 PRO D 25 89.214 -5.843 5.717 1.00 0.00 H new ATOM 0 HD3 PRO D 25 90.457 -5.145 6.738 1.00 0.00 H new ATOM 1453 N LEU D 26 88.370 -3.042 2.972 1.00 0.00 N ATOM 1454 CA LEU D 26 87.536 -3.048 1.772 1.00 0.00 C ATOM 1455 C LEU D 26 87.923 -1.894 0.840 1.00 0.00 C ATOM 1456 O LEU D 26 88.156 -2.096 -0.352 1.00 0.00 O ATOM 1457 CB LEU D 26 86.052 -2.928 2.188 1.00 0.00 C ATOM 1458 CG LEU D 26 85.134 -3.654 1.192 1.00 0.00 C ATOM 1459 CD1 LEU D 26 83.716 -3.715 1.763 1.00 0.00 C ATOM 1460 CD2 LEU D 26 85.104 -2.903 -0.140 1.00 0.00 C ATOM 0 H LEU D 26 87.862 -2.876 3.841 1.00 0.00 H new ATOM 0 HA LEU D 26 87.689 -3.982 1.232 1.00 0.00 H new ATOM 0 HB2 LEU D 26 85.916 -3.348 3.184 1.00 0.00 H new ATOM 0 HB3 LEU D 26 85.772 -1.876 2.245 1.00 0.00 H new ATOM 0 HG LEU D 26 85.515 -4.662 1.028 1.00 0.00 H new ATOM 0 HD11 LEU D 26 83.062 -4.229 1.059 1.00 0.00 H new ATOM 0 HD12 LEU D 26 83.728 -4.256 2.709 1.00 0.00 H new ATOM 0 HD13 LEU D 26 83.347 -2.703 1.928 1.00 0.00 H new ATOM 0 HD21 LEU D 26 84.451 -3.426 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU D 26 84.729 -1.892 0.020 1.00 0.00 H new ATOM 0 HD23 LEU D 26 86.112 -2.854 -0.553 1.00 0.00 H new ATOM 1472 N VAL D 27 87.994 -0.710 1.384 1.00 0.00 N ATOM 1473 CA VAL D 27 88.353 0.469 0.598 1.00 0.00 C ATOM 1474 C VAL D 27 89.826 0.434 0.195 1.00 0.00 C ATOM 1475 O VAL D 27 90.200 0.915 -0.875 1.00 0.00 O ATOM 1476 CB VAL D 27 88.075 1.737 1.407 1.00 0.00 C ATOM 1477 CG1 VAL D 27 88.316 2.966 0.530 1.00 0.00 C ATOM 1478 CG2 VAL D 27 86.619 1.728 1.883 1.00 0.00 C ATOM 0 H VAL D 27 87.810 -0.522 2.369 1.00 0.00 H new ATOM 0 HA VAL D 27 87.747 0.470 -0.308 1.00 0.00 H new ATOM 0 HB VAL D 27 88.741 1.771 2.269 1.00 0.00 H new ATOM 0 HG11 VAL D 27 88.118 3.869 1.107 1.00 0.00 H new ATOM 0 HG12 VAL D 27 89.352 2.973 0.190 1.00 0.00 H new ATOM 0 HG13 VAL D 27 87.651 2.933 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL D 27 86.419 2.631 2.460 1.00 0.00 H new ATOM 0 HG22 VAL D 27 85.954 1.694 1.020 1.00 0.00 H new ATOM 0 HG23 VAL D 27 86.446 0.852 2.509 1.00 0.00 H new ATOM 1488 N VAL D 28 90.640 -0.124 1.047 1.00 0.00 N ATOM 1489 CA VAL D 28 92.072 -0.218 0.779 1.00 0.00 C ATOM 1490 C VAL D 28 92.346 -1.213 -0.345 1.00 0.00 C ATOM 1491 O VAL D 28 93.146 -0.951 -1.243 1.00 0.00 O ATOM 1492 CB VAL D 28 92.815 -0.654 2.043 1.00 0.00 C ATOM 1493 CG1 VAL D 28 94.310 -0.779 1.740 1.00 0.00 C ATOM 1494 CG2 VAL D 28 92.599 0.387 3.146 1.00 0.00 C ATOM 0 H VAL D 28 90.348 -0.525 1.938 1.00 0.00 H new ATOM 0 HA VAL D 28 92.428 0.765 0.471 1.00 0.00 H new ATOM 0 HB VAL D 28 92.432 -1.619 2.376 1.00 0.00 H new ATOM 0 HG11 VAL D 28 94.839 -1.090 2.641 1.00 0.00 H new ATOM 0 HG12 VAL D 28 94.462 -1.521 0.956 1.00 0.00 H new ATOM 0 HG13 VAL D 28 94.696 0.185 1.407 1.00 0.00 H new ATOM 0 HG21 VAL D 28 93.128 0.077 4.047 1.00 0.00 H new ATOM 0 HG22 VAL D 28 92.981 1.353 2.815 1.00 0.00 H new ATOM 0 HG23 VAL D 28 91.534 0.473 3.362 1.00 0.00 H new ATOM 1504 N ALA D 29 91.701 -2.342 -0.274 1.00 0.00 N ATOM 1505 CA ALA D 29 91.893 -3.386 -1.275 1.00 0.00 C ATOM 1506 C ALA D 29 91.793 -2.808 -2.684 1.00 0.00 C ATOM 1507 O ALA D 29 92.465 -3.277 -3.603 1.00 0.00 O ATOM 1508 CB ALA D 29 90.838 -4.481 -1.096 1.00 0.00 C ATOM 0 H ALA D 29 91.034 -2.576 0.462 1.00 0.00 H new ATOM 0 HA ALA D 29 92.887 -3.811 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA D 29 90.988 -5.257 -1.847 1.00 0.00 H new ATOM 0 HB2 ALA D 29 90.931 -4.916 -0.101 1.00 0.00 H new ATOM 0 HB3 ALA D 29 89.843 -4.051 -1.213 1.00 0.00 H new ATOM 1514 N ALA D 30 90.973 -1.809 -2.847 1.00 0.00 N ATOM 1515 CA ALA D 30 90.804 -1.180 -4.153 1.00 0.00 C ATOM 1516 C ALA D 30 92.095 -0.493 -4.599 1.00 0.00 C ATOM 1517 O ALA D 30 92.389 -0.419 -5.791 1.00 0.00 O ATOM 1518 CB ALA D 30 89.673 -0.152 -4.098 1.00 0.00 C ATOM 0 H ALA D 30 90.406 -1.404 -2.102 1.00 0.00 H new ATOM 0 HA ALA D 30 90.555 -1.959 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.555 0.312 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.744 -0.648 -3.817 1.00 0.00 H new ATOM 0 HB3 ALA D 30 89.913 0.614 -3.360 1.00 0.00 H new ATOM 1524 N SER D 31 92.842 0.007 -3.650 1.00 0.00 N ATOM 1525 CA SER D 31 94.093 0.697 -3.956 1.00 0.00 C ATOM 1526 C SER D 31 95.074 -0.229 -4.675 1.00 0.00 C ATOM 1527 O SER D 31 95.728 0.175 -5.636 1.00 0.00 O ATOM 1528 CB SER D 31 94.733 1.213 -2.667 1.00 0.00 C ATOM 1529 OG SER D 31 95.936 1.902 -2.984 1.00 0.00 O ATOM 0 H SER D 31 92.617 -0.044 -2.656 1.00 0.00 H new ATOM 0 HA SER D 31 93.862 1.534 -4.614 1.00 0.00 H new ATOM 0 HB2 SER D 31 94.045 1.879 -2.147 1.00 0.00 H new ATOM 0 HB3 SER D 31 94.943 0.382 -1.993 1.00 0.00 H new ATOM 0 HG SER D 31 96.349 2.236 -2.160 1.00 0.00 H new ATOM 1535 N ILE D 32 95.172 -1.444 -4.211 1.00 0.00 N ATOM 1536 CA ILE D 32 96.080 -2.413 -4.820 1.00 0.00 C ATOM 1537 C ILE D 32 95.742 -2.602 -6.296 1.00 0.00 C ATOM 1538 O ILE D 32 96.624 -2.793 -7.131 1.00 0.00 O ATOM 1539 CB ILE D 32 95.972 -3.756 -4.094 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.037 -3.532 -2.577 1.00 0.00 C ATOM 1541 CG2 ILE D 32 97.123 -4.668 -4.525 1.00 0.00 C ATOM 1542 CD1 ILE D 32 97.258 -2.677 -2.218 1.00 0.00 C ATOM 0 H ILE D 32 94.641 -1.799 -3.416 1.00 0.00 H new ATOM 0 HA ILE D 32 97.099 -2.036 -4.735 1.00 0.00 H new ATOM 0 HB ILE D 32 95.022 -4.226 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE D 32 95.126 -3.039 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE D 32 96.092 -4.491 -2.063 1.00 0.00 H new ATOM 0 HG21 ILE D 32 97.044 -5.624 -4.007 1.00 0.00 H new ATOM 0 HG22 ILE D 32 97.073 -4.834 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE D 32 98.074 -4.197 -4.275 1.00 0.00 H new ATOM 0 HD11 ILE D 32 97.292 -2.526 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE D 32 98.166 -3.185 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE D 32 97.185 -1.711 -2.718 1.00 0.00 H new ATOM 1554 N ILE D 33 94.480 -2.539 -6.602 1.00 0.00 N ATOM 1555 CA ILE D 33 94.029 -2.687 -7.979 1.00 0.00 C ATOM 1556 C ILE D 33 94.404 -1.446 -8.798 1.00 0.00 C ATOM 1557 O ILE D 33 94.618 -1.530 -10.007 1.00 0.00 O ATOM 1558 CB ILE D 33 92.509 -2.923 -8.014 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.175 -4.151 -7.140 1.00 0.00 C ATOM 1560 CG2 ILE D 33 92.056 -3.169 -9.465 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.750 -4.644 -7.416 1.00 0.00 C ATOM 0 H ILE D 33 93.733 -2.386 -5.924 1.00 0.00 H new ATOM 0 HA ILE D 33 94.524 -3.551 -8.422 1.00 0.00 H new ATOM 0 HB ILE D 33 91.988 -2.047 -7.628 1.00 0.00 H new ATOM 0 HG12 ILE D 33 92.887 -4.951 -7.342 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.277 -3.892 -6.086 1.00 0.00 H new ATOM 0 HG21 ILE D 33 90.979 -3.336 -9.487 1.00 0.00 H new ATOM 0 HG22 ILE D 33 92.301 -2.299 -10.075 1.00 0.00 H new ATOM 0 HG23 ILE D 33 92.567 -4.046 -9.862 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.537 -5.510 -6.789 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.040 -3.849 -7.190 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.659 -4.925 -8.465 1.00 0.00 H new ATOM 1573 N GLY D 34 94.461 -0.315 -8.143 1.00 0.00 N ATOM 1574 CA GLY D 34 94.785 0.943 -8.814 1.00 0.00 C ATOM 1575 C GLY D 34 96.228 0.984 -9.321 1.00 0.00 C ATOM 1576 O GLY D 34 96.492 1.502 -10.406 1.00 0.00 O ATOM 0 H GLY D 34 94.288 -0.227 -7.142 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.105 1.089 -9.653 1.00 0.00 H new ATOM 0 HA3 GLY D 34 94.622 1.771 -8.124 1.00 0.00 H new ATOM 1580 N ILE D 35 97.142 0.459 -8.551 1.00 0.00 N ATOM 1581 CA ILE D 35 98.549 0.464 -8.958 1.00 0.00 C ATOM 1582 C ILE D 35 98.771 -0.462 -10.151 1.00 0.00 C ATOM 1583 O ILE D 35 99.557 -0.155 -11.047 1.00 0.00 O ATOM 1584 CB ILE D 35 99.450 0.041 -7.791 1.00 0.00 C ATOM 1585 CG1 ILE D 35 98.871 -1.202 -7.116 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.536 1.177 -6.770 1.00 0.00 C ATOM 1587 CD1 ILE D 35 99.873 -1.740 -6.092 1.00 0.00 C ATOM 0 H ILE D 35 96.957 0.024 -7.647 1.00 0.00 H new ATOM 0 HA ILE D 35 98.810 1.480 -9.253 1.00 0.00 H new ATOM 0 HB ILE D 35 100.446 -0.183 -8.172 1.00 0.00 H new ATOM 0 HG12 ILE D 35 97.929 -0.957 -6.625 1.00 0.00 H new ATOM 0 HG13 ILE D 35 98.652 -1.966 -7.862 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.177 0.874 -5.942 1.00 0.00 H new ATOM 0 HG22 ILE D 35 99.954 2.064 -7.247 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.539 1.404 -6.393 1.00 0.00 H new ATOM 0 HD11 ILE D 35 99.460 -2.627 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE D 35 100.804 -2.001 -6.596 1.00 0.00 H new ATOM 0 HD13 ILE D 35 100.070 -0.976 -5.339 1.00 0.00 H new ATOM 1599 N LEU D 36 98.094 -1.576 -10.153 1.00 0.00 N ATOM 1600 CA LEU D 36 98.236 -2.540 -11.240 1.00 0.00 C ATOM 1601 C LEU D 36 98.094 -1.844 -12.593 1.00 0.00 C ATOM 1602 O LEU D 36 98.787 -2.177 -13.550 1.00 0.00 O ATOM 1603 CB LEU D 36 97.171 -3.644 -11.108 1.00 0.00 C ATOM 1604 CG LEU D 36 97.608 -4.905 -11.889 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.487 -5.799 -11.003 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.371 -5.700 -12.325 1.00 0.00 C ATOM 0 H LEU D 36 97.437 -1.850 -9.423 1.00 0.00 H new ATOM 0 HA LEU D 36 99.228 -2.988 -11.178 1.00 0.00 H new ATOM 0 HB2 LEU D 36 97.022 -3.892 -10.057 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.215 -3.285 -11.489 1.00 0.00 H new ATOM 0 HG LEU D 36 98.175 -4.592 -12.765 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.788 -6.684 -11.564 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.374 -5.246 -10.694 1.00 0.00 H new ATOM 0 HD13 LEU D 36 97.924 -6.103 -10.121 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.684 -6.588 -12.875 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.803 -6.000 -11.445 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.746 -5.078 -12.966 1.00 0.00 H new ATOM 1618 N HIS D 37 97.196 -0.904 -12.669 1.00 0.00 N ATOM 1619 CA HIS D 37 96.968 -0.183 -13.916 1.00 0.00 C ATOM 1620 C HIS D 37 98.248 0.489 -14.413 1.00 0.00 C ATOM 1621 O HIS D 37 98.511 0.524 -15.613 1.00 0.00 O ATOM 1622 CB HIS D 37 95.896 0.889 -13.711 1.00 0.00 C ATOM 1623 CG HIS D 37 94.694 0.284 -13.041 1.00 0.00 C ATOM 1624 ND1 HIS D 37 93.643 1.058 -12.576 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.361 -1.015 -12.748 1.00 0.00 C ATOM 1626 CE1 HIS D 37 92.736 0.228 -12.034 1.00 0.00 C ATOM 1627 NE2 HIS D 37 93.123 -1.049 -12.114 1.00 0.00 N ATOM 0 H HIS D 37 96.605 -0.610 -11.892 1.00 0.00 H new ATOM 0 HA HIS D 37 96.639 -0.908 -14.661 1.00 0.00 H new ATOM 0 HB2 HIS D 37 96.293 1.702 -13.102 1.00 0.00 H new ATOM 0 HB3 HIS D 37 95.611 1.320 -14.671 1.00 0.00 H new ATOM 0 HD1 HIS D 37 93.571 2.074 -12.635 1.00 0.00 H new ATOM 0 HD2 HIS D 37 94.968 -1.879 -12.975 1.00 0.00 H new ATOM 0 HE1 HIS D 37 91.808 0.553 -11.588 1.00 0.00 H new ATOM 1636 N PHE D 38 99.009 1.039 -13.505 1.00 0.00 N ATOM 1637 CA PHE D 38 100.240 1.745 -13.860 1.00 0.00 C ATOM 1638 C PHE D 38 101.235 0.866 -14.618 1.00 0.00 C ATOM 1639 O PHE D 38 101.799 1.298 -15.624 1.00 0.00 O ATOM 1640 CB PHE D 38 100.905 2.279 -12.591 1.00 0.00 C ATOM 1641 CG PHE D 38 102.070 3.165 -12.962 1.00 0.00 C ATOM 1642 CD1 PHE D 38 103.340 2.607 -13.155 1.00 0.00 C ATOM 1643 CD2 PHE D 38 101.881 4.543 -13.113 1.00 0.00 C ATOM 1644 CE1 PHE D 38 104.421 3.430 -13.498 1.00 0.00 C ATOM 1645 CE2 PHE D 38 102.960 5.366 -13.456 1.00 0.00 C ATOM 1646 CZ PHE D 38 104.231 4.809 -13.649 1.00 0.00 C ATOM 0 H PHE D 38 98.808 1.019 -12.505 1.00 0.00 H new ATOM 0 HA PHE D 38 99.958 2.562 -14.525 1.00 0.00 H new ATOM 0 HB2 PHE D 38 100.182 2.841 -11.999 1.00 0.00 H new ATOM 0 HB3 PHE D 38 101.249 1.450 -11.972 1.00 0.00 H new ATOM 0 HD1 PHE D 38 103.486 1.543 -13.040 1.00 0.00 H new ATOM 0 HD2 PHE D 38 100.901 4.972 -12.965 1.00 0.00 H new ATOM 0 HE1 PHE D 38 105.401 3.001 -13.646 1.00 0.00 H new ATOM 0 HE2 PHE D 38 102.813 6.430 -13.572 1.00 0.00 H new ATOM 0 HZ PHE D 38 105.064 5.443 -13.914 1.00 0.00 H new ATOM 1656 N ILE D 39 101.467 -0.328 -14.149 1.00 0.00 N ATOM 1657 CA ILE D 39 102.424 -1.205 -14.818 1.00 0.00 C ATOM 1658 C ILE D 39 101.922 -1.614 -16.202 1.00 0.00 C ATOM 1659 O ILE D 39 102.691 -1.627 -17.162 1.00 0.00 O ATOM 1660 CB ILE D 39 102.717 -2.451 -13.972 1.00 0.00 C ATOM 1661 CG1 ILE D 39 101.413 -3.056 -13.459 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.595 -2.070 -12.777 1.00 0.00 C ATOM 1663 CD1 ILE D 39 101.708 -4.394 -12.779 1.00 0.00 C ATOM 0 H ILE D 39 101.022 -0.724 -13.321 1.00 0.00 H new ATOM 0 HA ILE D 39 103.351 -0.645 -14.939 1.00 0.00 H new ATOM 0 HB ILE D 39 103.236 -3.181 -14.593 1.00 0.00 H new ATOM 0 HG12 ILE D 39 100.935 -2.375 -12.755 1.00 0.00 H new ATOM 0 HG13 ILE D 39 100.716 -3.201 -14.285 1.00 0.00 H new ATOM 0 HG21 ILE D 39 103.801 -2.958 -12.179 1.00 0.00 H new ATOM 0 HG22 ILE D 39 104.534 -1.648 -13.135 1.00 0.00 H new ATOM 0 HG23 ILE D 39 103.076 -1.332 -12.165 1.00 0.00 H new ATOM 0 HD11 ILE D 39 100.778 -4.828 -12.412 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.167 -5.074 -13.497 1.00 0.00 H new ATOM 0 HD13 ILE D 39 102.389 -4.235 -11.943 1.00 0.00 H new ATOM 1675 N ALA D 40 100.661 -1.945 -16.309 1.00 0.00 N ATOM 1676 CA ALA D 40 100.103 -2.353 -17.593 1.00 0.00 C ATOM 1677 C ALA D 40 100.044 -1.170 -18.557 1.00 0.00 C ATOM 1678 O ALA D 40 100.352 -1.303 -19.741 1.00 0.00 O ATOM 1679 CB ALA D 40 98.700 -2.926 -17.389 1.00 0.00 C ATOM 0 H ALA D 40 99.997 -1.944 -15.535 1.00 0.00 H new ATOM 0 HA ALA D 40 100.749 -3.118 -18.024 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.287 -3.229 -18.351 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.753 -3.791 -16.728 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.058 -2.167 -16.942 1.00 0.00 H new ATOM 1685 N TRP D 41 99.646 -0.036 -18.048 1.00 0.00 N ATOM 1686 CA TRP D 41 99.535 1.172 -18.862 1.00 0.00 C ATOM 1687 C TRP D 41 100.802 1.389 -19.682 1.00 0.00 C ATOM 1688 O TRP D 41 100.762 1.962 -20.770 1.00 0.00 O ATOM 1689 CB TRP D 41 99.309 2.381 -17.949 1.00 0.00 C ATOM 1690 CG TRP D 41 98.972 3.582 -18.772 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.841 4.255 -19.560 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.693 4.266 -18.892 1.00 0.00 C ATOM 1693 NE1 TRP D 41 99.171 5.304 -20.168 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.844 5.352 -19.786 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.425 4.047 -18.322 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.777 6.191 -20.101 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.349 4.893 -18.636 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.525 5.962 -19.525 1.00 0.00 C ATOM 0 H TRP D 41 99.389 0.090 -17.069 1.00 0.00 H new ATOM 0 HA TRP D 41 98.693 1.056 -19.544 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.502 2.172 -17.247 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.204 2.574 -17.358 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.885 4.014 -19.693 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.604 5.960 -20.818 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.279 3.223 -17.639 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.917 7.014 -20.787 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.381 4.719 -18.190 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.693 6.608 -19.765 1.00 0.00 H new ATOM 1709 N THR D 42 101.900 0.934 -19.158 1.00 0.00 N ATOM 1710 CA THR D 42 103.180 1.085 -19.838 1.00 0.00 C ATOM 1711 C THR D 42 103.231 0.261 -21.130 1.00 0.00 C ATOM 1712 O THR D 42 103.925 0.631 -22.078 1.00 0.00 O ATOM 1713 CB THR D 42 104.318 0.660 -18.902 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.024 1.095 -17.582 1.00 0.00 O ATOM 1715 CG2 THR D 42 105.633 1.291 -19.366 1.00 0.00 C ATOM 0 H THR D 42 101.950 0.452 -18.260 1.00 0.00 H new ATOM 0 HA THR D 42 103.298 2.135 -20.106 1.00 0.00 H new ATOM 0 HB THR D 42 104.416 -0.425 -18.919 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.555 0.382 -17.099 1.00 0.00 H new ATOM 0 HG21 THR D 42 106.439 0.986 -18.698 1.00 0.00 H new ATOM 0 HG22 THR D 42 105.858 0.960 -20.380 1.00 0.00 H new ATOM 0 HG23 THR D 42 105.541 2.377 -19.351 1.00 0.00 H new ATOM 1723 N ILE D 43 102.521 -0.836 -21.163 1.00 0.00 N ATOM 1724 CA ILE D 43 102.516 -1.695 -22.348 1.00 0.00 C ATOM 1725 C ILE D 43 101.882 -0.983 -23.544 1.00 0.00 C ATOM 1726 O ILE D 43 102.460 -0.949 -24.630 1.00 0.00 O ATOM 1727 CB ILE D 43 101.743 -2.987 -22.044 1.00 0.00 C ATOM 1728 CG1 ILE D 43 102.272 -3.605 -20.740 1.00 0.00 C ATOM 1729 CG2 ILE D 43 101.906 -3.994 -23.192 1.00 0.00 C ATOM 1730 CD1 ILE D 43 103.794 -3.790 -20.804 1.00 0.00 C ATOM 0 H ILE D 43 101.937 -1.166 -20.394 1.00 0.00 H new ATOM 0 HA ILE D 43 103.549 -1.934 -22.603 1.00 0.00 H new ATOM 0 HB ILE D 43 100.685 -2.747 -21.936 1.00 0.00 H new ATOM 0 HG12 ILE D 43 102.014 -2.964 -19.897 1.00 0.00 H new ATOM 0 HG13 ILE D 43 101.791 -4.568 -20.567 1.00 0.00 H new ATOM 0 HG21 ILE D 43 101.352 -4.903 -22.960 1.00 0.00 H new ATOM 0 HG22 ILE D 43 101.520 -3.560 -24.114 1.00 0.00 H new ATOM 0 HG23 ILE D 43 102.962 -4.235 -23.318 1.00 0.00 H new ATOM 0 HD11 ILE D 43 104.147 -4.229 -19.871 1.00 0.00 H new ATOM 0 HD12 ILE D 43 104.046 -4.451 -21.633 1.00 0.00 H new ATOM 0 HD13 ILE D 43 104.272 -2.822 -20.953 1.00 0.00 H new ATOM 1742 N GLY D 44 100.713 -0.435 -23.351 1.00 0.00 N ATOM 1743 CA GLY D 44 100.017 0.255 -24.435 1.00 0.00 C ATOM 1744 C GLY D 44 100.875 1.371 -25.024 1.00 0.00 C ATOM 1745 O GLY D 44 100.814 1.646 -26.222 1.00 0.00 O ATOM 0 H GLY D 44 100.213 -0.445 -22.462 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.759 -0.459 -25.217 1.00 0.00 H new ATOM 0 HA3 GLY D 44 99.081 0.671 -24.062 1.00 0.00 H new ATOM 1749 N HIS D 45 101.652 2.002 -24.189 1.00 0.00 N ATOM 1750 CA HIS D 45 102.519 3.092 -24.625 1.00 0.00 C ATOM 1751 C HIS D 45 103.449 2.651 -25.756 1.00 0.00 C ATOM 1752 O HIS D 45 103.889 3.469 -26.560 1.00 0.00 O ATOM 1753 CB HIS D 45 103.356 3.585 -23.442 1.00 0.00 C ATOM 1754 CG HIS D 45 104.105 4.828 -23.839 1.00 0.00 C ATOM 1755 ND1 HIS D 45 105.455 4.995 -23.569 1.00 0.00 N ATOM 1756 CD2 HIS D 45 103.708 5.971 -24.487 1.00 0.00 C ATOM 1757 CE1 HIS D 45 105.819 6.198 -24.049 1.00 0.00 C ATOM 1758 NE2 HIS D 45 104.792 6.836 -24.618 1.00 0.00 N ATOM 0 H HIS D 45 101.712 1.788 -23.194 1.00 0.00 H new ATOM 0 HA HIS D 45 101.886 3.897 -25.000 1.00 0.00 H new ATOM 0 HB2 HIS D 45 102.711 3.794 -22.589 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.056 2.810 -23.130 1.00 0.00 H new ATOM 0 HD2 HIS D 45 102.707 6.170 -24.841 1.00 0.00 H new ATOM 0 HE1 HIS D 45 106.820 6.599 -23.983 1.00 0.00 H new ATOM 0 HE2 HIS D 45 104.800 7.758 -25.054 1.00 0.00 H new ATOM 1767 N LEU D 46 103.768 1.388 -25.786 1.00 0.00 N ATOM 1768 CA LEU D 46 104.682 0.856 -26.797 1.00 0.00 C ATOM 1769 C LEU D 46 104.249 1.202 -28.233 1.00 0.00 C ATOM 1770 O LEU D 46 105.092 1.300 -29.125 1.00 0.00 O ATOM 1771 CB LEU D 46 104.823 -0.678 -26.605 1.00 0.00 C ATOM 1772 CG LEU D 46 103.807 -1.472 -27.478 1.00 0.00 C ATOM 1773 CD1 LEU D 46 104.399 -1.746 -28.885 1.00 0.00 C ATOM 1774 CD2 LEU D 46 103.440 -2.815 -26.790 1.00 0.00 C ATOM 0 H LEU D 46 103.416 0.694 -25.127 1.00 0.00 H new ATOM 0 HA LEU D 46 105.652 1.332 -26.656 1.00 0.00 H new ATOM 0 HB2 LEU D 46 105.837 -0.984 -26.861 1.00 0.00 H new ATOM 0 HB3 LEU D 46 104.671 -0.927 -25.555 1.00 0.00 H new ATOM 0 HG LEU D 46 102.904 -0.871 -27.587 1.00 0.00 H new ATOM 0 HD11 LEU D 46 103.676 -2.302 -29.482 1.00 0.00 H new ATOM 0 HD12 LEU D 46 104.624 -0.799 -29.376 1.00 0.00 H new ATOM 0 HD13 LEU D 46 105.314 -2.330 -28.787 1.00 0.00 H new ATOM 0 HD21 LEU D 46 102.729 -3.360 -27.411 1.00 0.00 H new ATOM 0 HD22 LEU D 46 104.341 -3.415 -26.659 1.00 0.00 H new ATOM 0 HD23 LEU D 46 102.992 -2.615 -25.817 1.00 0.00 H new