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: A 37 HIS : no HD1:sc= -15.4! C(o=-24!,f=-33!) USER MOD Set 1.2: D 37 HIS : no HE2:sc= -8.22! C(o=-24!,f=-33!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc=-0.00844 X(o=-0.0084,f=-0.063) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -0.408 K(o=-0.41,f=-1.2) USER MOD Single : B 42 THR OG1 : rot -59:sc= -0.342 USER MOD Single : B 45 HIS : no HD1:sc= -0.0422 X(o=-0.042,f=0) USER MOD Single : B 47 ASN : amide:sc=-0.00613 K(o=-0.0061,f=-0.82) USER MOD Single : B 48 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.68) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -8.94! C(o=-8.9!,f=-14!) USER MOD Single : C 42 THR OG1 : rot -66:sc= 0.829 USER MOD Single : C 45 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=-0.013) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 42 THR OG1 : rot -57:sc= 0.828 USER MOD Single : D 45 HIS : no HD1:sc= -0.0325 X(o=-0.033,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N PRO A 25 77.715 2.750 1.783 1.00 0.00 N ATOM 24 CA PRO A 25 78.299 1.967 0.653 1.00 0.00 C ATOM 25 C PRO A 25 78.645 2.859 -0.541 1.00 0.00 C ATOM 26 O PRO A 25 78.770 2.382 -1.670 1.00 0.00 O ATOM 27 CB PRO A 25 77.184 0.972 0.304 1.00 0.00 C ATOM 28 CG PRO A 25 75.919 1.679 0.673 1.00 0.00 C ATOM 29 CD PRO A 25 76.258 2.547 1.892 1.00 0.00 C ATOM 0 HA PRO A 25 79.239 1.483 0.918 1.00 0.00 H new ATOM 0 HB2 PRO A 25 77.200 0.714 -0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 25 77.295 0.041 0.860 1.00 0.00 H new ATOM 0 HG2 PRO A 25 75.559 2.291 -0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.129 0.966 0.909 1.00 0.00 H new ATOM 0 HD2 PRO A 25 75.719 3.494 1.871 1.00 0.00 H new ATOM 0 HD3 PRO A 25 75.992 2.049 2.824 1.00 0.00 H new ATOM 37 N LEU A 26 78.785 4.131 -0.287 1.00 0.00 N ATOM 38 CA LEU A 26 79.106 5.086 -1.345 1.00 0.00 C ATOM 39 C LEU A 26 80.501 4.807 -1.914 1.00 0.00 C ATOM 40 O LEU A 26 80.682 4.712 -3.128 1.00 0.00 O ATOM 41 CB LEU A 26 79.029 6.523 -0.773 1.00 0.00 C ATOM 42 CG LEU A 26 78.507 7.521 -1.823 1.00 0.00 C ATOM 43 CD1 LEU A 26 78.177 8.848 -1.136 1.00 0.00 C ATOM 44 CD2 LEU A 26 79.573 7.762 -2.893 1.00 0.00 C ATOM 0 H LEU A 26 78.684 4.544 0.640 1.00 0.00 H new ATOM 0 HA LEU A 26 78.386 4.982 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 26 78.374 6.534 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 26 80.017 6.834 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 26 77.613 7.111 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 26 77.807 9.558 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 26 77.413 8.684 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 26 79.076 9.248 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 26 79.194 8.469 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 26 80.470 8.169 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 26 79.815 6.820 -3.384 1.00 0.00 H new ATOM 56 N VAL A 27 81.465 4.669 -1.043 1.00 0.00 N ATOM 57 CA VAL A 27 82.836 4.395 -1.469 1.00 0.00 C ATOM 58 C VAL A 27 82.965 2.977 -2.019 1.00 0.00 C ATOM 59 O VAL A 27 83.672 2.742 -2.999 1.00 0.00 O ATOM 60 CB VAL A 27 83.793 4.575 -0.288 1.00 0.00 C ATOM 61 CG1 VAL A 27 83.439 3.573 0.812 1.00 0.00 C ATOM 62 CG2 VAL A 27 85.228 4.330 -0.757 1.00 0.00 C ATOM 0 H VAL A 27 81.340 4.739 -0.033 1.00 0.00 H new ATOM 0 HA VAL A 27 83.093 5.098 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 27 83.704 5.589 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 27 84.120 3.701 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 27 82.415 3.744 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 27 83.529 2.559 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.912 4.458 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.316 3.315 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 27 85.481 5.042 -1.542 1.00 0.00 H new ATOM 72 N VAL A 28 82.296 2.053 -1.387 1.00 0.00 N ATOM 73 CA VAL A 28 82.342 0.656 -1.809 1.00 0.00 C ATOM 74 C VAL A 28 81.766 0.496 -3.213 1.00 0.00 C ATOM 75 O VAL A 28 82.168 -0.394 -3.961 1.00 0.00 O ATOM 76 CB VAL A 28 81.547 -0.207 -0.830 1.00 0.00 C ATOM 77 CG1 VAL A 28 81.588 -1.668 -1.285 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.163 -0.092 0.566 1.00 0.00 C ATOM 0 H VAL A 28 81.707 2.230 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 28 83.383 0.334 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 28 80.513 0.136 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 28 81.021 -2.283 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.150 -1.752 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 28 82.622 -2.011 -1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 28 81.597 -0.707 1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 28 83.197 -0.435 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 28 82.134 0.948 0.892 1.00 0.00 H new ATOM 88 N ALA A 29 80.840 1.346 -3.553 1.00 0.00 N ATOM 89 CA ALA A 29 80.213 1.294 -4.869 1.00 0.00 C ATOM 90 C ALA A 29 81.254 1.498 -5.966 1.00 0.00 C ATOM 91 O ALA A 29 81.108 0.989 -7.078 1.00 0.00 O ATOM 92 CB ALA A 29 79.137 2.375 -4.977 1.00 0.00 C ATOM 0 H ALA A 29 80.493 2.089 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 29 79.756 0.313 -4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 29 78.673 2.330 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 29 78.379 2.211 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 29 79.591 3.356 -4.834 1.00 0.00 H new ATOM 98 N ALA A 30 82.280 2.240 -5.653 1.00 0.00 N ATOM 99 CA ALA A 30 83.337 2.522 -6.617 1.00 0.00 C ATOM 100 C ALA A 30 84.132 1.264 -6.964 1.00 0.00 C ATOM 101 O ALA A 30 84.569 1.095 -8.102 1.00 0.00 O ATOM 102 CB ALA A 30 84.284 3.581 -6.050 1.00 0.00 C ATOM 0 H ALA A 30 82.418 2.667 -4.737 1.00 0.00 H new ATOM 0 HA ALA A 30 82.867 2.890 -7.529 1.00 0.00 H new ATOM 0 HB1 ALA A 30 85.072 3.789 -6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.727 4.496 -5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 30 84.728 3.214 -5.125 1.00 0.00 H new ATOM 108 N SER A 31 84.331 0.407 -5.997 1.00 0.00 N ATOM 109 CA SER A 31 85.096 -0.817 -6.218 1.00 0.00 C ATOM 110 C SER A 31 84.503 -1.653 -7.351 1.00 0.00 C ATOM 111 O SER A 31 85.230 -2.136 -8.219 1.00 0.00 O ATOM 112 CB SER A 31 85.125 -1.650 -4.937 1.00 0.00 C ATOM 113 OG SER A 31 85.559 -2.969 -5.243 1.00 0.00 O ATOM 0 H SER A 31 83.979 0.523 -5.047 1.00 0.00 H new ATOM 0 HA SER A 31 86.109 -0.529 -6.499 1.00 0.00 H new ATOM 0 HB2 SER A 31 85.796 -1.194 -4.208 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.134 -1.677 -4.485 1.00 0.00 H new ATOM 0 HG SER A 31 85.580 -3.505 -4.423 1.00 0.00 H new ATOM 119 N ILE A 32 83.211 -1.825 -7.337 1.00 0.00 N ATOM 120 CA ILE A 32 82.547 -2.616 -8.369 1.00 0.00 C ATOM 121 C ILE A 32 82.969 -2.133 -9.756 1.00 0.00 C ATOM 122 O ILE A 32 83.184 -2.932 -10.665 1.00 0.00 O ATOM 123 CB ILE A 32 81.023 -2.510 -8.214 1.00 0.00 C ATOM 124 CG1 ILE A 32 80.577 -3.259 -6.949 1.00 0.00 C ATOM 125 CG2 ILE A 32 80.331 -3.133 -9.432 1.00 0.00 C ATOM 126 CD1 ILE A 32 81.081 -2.540 -5.691 1.00 0.00 C ATOM 0 H ILE A 32 82.587 -1.435 -6.631 1.00 0.00 H new ATOM 0 HA ILE A 32 82.841 -3.659 -8.257 1.00 0.00 H new ATOM 0 HB ILE A 32 80.749 -1.458 -8.135 1.00 0.00 H new ATOM 0 HG12 ILE A 32 79.489 -3.327 -6.924 1.00 0.00 H new ATOM 0 HG13 ILE A 32 80.960 -4.279 -6.970 1.00 0.00 H new ATOM 0 HG21 ILE A 32 79.250 -3.055 -9.316 1.00 0.00 H new ATOM 0 HG22 ILE A 32 80.638 -2.605 -10.335 1.00 0.00 H new ATOM 0 HG23 ILE A 32 80.612 -4.183 -9.513 1.00 0.00 H new ATOM 0 HD11 ILE A 32 80.755 -3.085 -4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 32 82.170 -2.495 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 32 80.676 -1.528 -5.663 1.00 0.00 H new ATOM 138 N ILE A 33 83.082 -0.845 -9.903 1.00 0.00 N ATOM 139 CA ILE A 33 83.481 -0.261 -11.178 1.00 0.00 C ATOM 140 C ILE A 33 84.956 -0.559 -11.460 1.00 0.00 C ATOM 141 O ILE A 33 85.374 -0.634 -12.615 1.00 0.00 O ATOM 142 CB ILE A 33 83.234 1.263 -11.168 1.00 0.00 C ATOM 143 CG1 ILE A 33 81.752 1.536 -10.818 1.00 0.00 C ATOM 144 CG2 ILE A 33 83.558 1.855 -12.554 1.00 0.00 C ATOM 145 CD1 ILE A 33 81.363 2.975 -11.182 1.00 0.00 C ATOM 0 H ILE A 33 82.906 -0.167 -9.162 1.00 0.00 H new ATOM 0 HA ILE A 33 82.879 -0.706 -11.970 1.00 0.00 H new ATOM 0 HB ILE A 33 83.878 1.731 -10.423 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.112 0.835 -11.354 1.00 0.00 H new ATOM 0 HG13 ILE A 33 81.588 1.368 -9.754 1.00 0.00 H new ATOM 0 HG21 ILE A 33 83.382 2.931 -12.540 1.00 0.00 H new ATOM 0 HG22 ILE A 33 84.603 1.662 -12.797 1.00 0.00 H new ATOM 0 HG23 ILE A 33 82.919 1.392 -13.306 1.00 0.00 H new ATOM 0 HD11 ILE A 33 80.317 3.145 -10.927 1.00 0.00 H new ATOM 0 HD12 ILE A 33 81.990 3.673 -10.626 1.00 0.00 H new ATOM 0 HD13 ILE A 33 81.506 3.131 -12.251 1.00 0.00 H new ATOM 157 N GLY A 34 85.730 -0.712 -10.418 1.00 0.00 N ATOM 158 CA GLY A 34 87.159 -0.978 -10.569 1.00 0.00 C ATOM 159 C GLY A 34 87.444 -2.326 -11.234 1.00 0.00 C ATOM 160 O GLY A 34 88.225 -2.399 -12.182 1.00 0.00 O ATOM 0 H GLY A 34 85.407 -0.659 -9.452 1.00 0.00 H new ATOM 0 HA2 GLY A 34 87.611 -0.183 -11.162 1.00 0.00 H new ATOM 0 HA3 GLY A 34 87.634 -0.954 -9.588 1.00 0.00 H new ATOM 164 N ILE A 35 86.843 -3.372 -10.737 1.00 0.00 N ATOM 165 CA ILE A 35 87.075 -4.704 -11.296 1.00 0.00 C ATOM 166 C ILE A 35 86.540 -4.811 -12.722 1.00 0.00 C ATOM 167 O ILE A 35 87.053 -5.587 -13.528 1.00 0.00 O ATOM 168 CB ILE A 35 86.438 -5.784 -10.407 1.00 0.00 C ATOM 169 CG1 ILE A 35 84.951 -5.463 -10.136 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.191 -5.832 -9.075 1.00 0.00 C ATOM 171 CD1 ILE A 35 84.054 -5.843 -11.334 1.00 0.00 C ATOM 0 H ILE A 35 86.192 -3.344 -9.953 1.00 0.00 H new ATOM 0 HA ILE A 35 88.153 -4.865 -11.327 1.00 0.00 H new ATOM 0 HB ILE A 35 86.499 -6.745 -10.918 1.00 0.00 H new ATOM 0 HG12 ILE A 35 84.619 -6.001 -9.248 1.00 0.00 H new ATOM 0 HG13 ILE A 35 84.842 -4.400 -9.923 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.749 -6.595 -8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 35 88.238 -6.074 -9.257 1.00 0.00 H new ATOM 0 HG23 ILE A 35 87.123 -4.861 -8.583 1.00 0.00 H new ATOM 0 HD11 ILE A 35 83.017 -5.601 -11.103 1.00 0.00 H new ATOM 0 HD12 ILE A 35 84.369 -5.285 -12.216 1.00 0.00 H new ATOM 0 HD13 ILE A 35 84.143 -6.912 -11.530 1.00 0.00 H new ATOM 183 N LEU A 36 85.520 -4.056 -13.020 1.00 0.00 N ATOM 184 CA LEU A 36 84.920 -4.091 -14.350 1.00 0.00 C ATOM 185 C LEU A 36 85.910 -3.641 -15.421 1.00 0.00 C ATOM 186 O LEU A 36 85.954 -4.211 -16.508 1.00 0.00 O ATOM 187 CB LEU A 36 83.668 -3.200 -14.378 1.00 0.00 C ATOM 188 CG LEU A 36 82.959 -3.293 -15.760 1.00 0.00 C ATOM 189 CD1 LEU A 36 81.435 -3.311 -15.571 1.00 0.00 C ATOM 190 CD2 LEU A 36 83.330 -2.083 -16.636 1.00 0.00 C ATOM 0 H LEU A 36 85.078 -3.406 -12.370 1.00 0.00 H new ATOM 0 HA LEU A 36 84.639 -5.121 -14.569 1.00 0.00 H new ATOM 0 HB2 LEU A 36 82.980 -3.505 -13.589 1.00 0.00 H new ATOM 0 HB3 LEU A 36 83.947 -2.166 -14.175 1.00 0.00 H new ATOM 0 HG LEU A 36 83.285 -4.212 -16.247 1.00 0.00 H new ATOM 0 HD11 LEU A 36 80.948 -3.376 -16.544 1.00 0.00 H new ATOM 0 HD12 LEU A 36 81.154 -4.173 -14.966 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.120 -2.397 -15.068 1.00 0.00 H new ATOM 0 HD21 LEU A 36 82.826 -2.163 -17.599 1.00 0.00 H new ATOM 0 HD22 LEU A 36 83.018 -1.165 -16.139 1.00 0.00 H new ATOM 0 HD23 LEU A 36 84.409 -2.063 -16.791 1.00 0.00 H new ATOM 202 N HIS A 37 86.671 -2.623 -15.142 1.00 0.00 N ATOM 203 CA HIS A 37 87.624 -2.126 -16.128 1.00 0.00 C ATOM 204 C HIS A 37 88.720 -3.151 -16.420 1.00 0.00 C ATOM 205 O HIS A 37 89.286 -3.160 -17.512 1.00 0.00 O ATOM 206 CB HIS A 37 88.243 -0.795 -15.674 1.00 0.00 C ATOM 207 CG HIS A 37 89.177 -1.000 -14.509 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.130 -2.007 -14.479 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.322 -0.316 -13.329 1.00 0.00 C ATOM 210 CE1 HIS A 37 90.795 -1.903 -13.315 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.342 -0.888 -12.575 1.00 0.00 N ATOM 0 H HIS A 37 86.662 -2.117 -14.256 1.00 0.00 H new ATOM 0 HA HIS A 37 87.072 -1.954 -17.052 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.785 -0.341 -16.503 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.452 -0.100 -15.392 1.00 0.00 H new ATOM 0 HD2 HIS A 37 88.733 0.538 -13.030 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.598 -2.560 -13.015 1.00 0.00 H new ATOM 0 HE2 HIS A 37 90.672 -0.595 -11.655 1.00 0.00 H new ATOM 220 N PHE A 38 89.035 -3.982 -15.459 1.00 0.00 N ATOM 221 CA PHE A 38 90.092 -4.979 -15.638 1.00 0.00 C ATOM 222 C PHE A 38 89.749 -6.007 -16.712 1.00 0.00 C ATOM 223 O PHE A 38 90.564 -6.269 -17.596 1.00 0.00 O ATOM 224 CB PHE A 38 90.355 -5.698 -14.312 1.00 0.00 C ATOM 225 CG PHE A 38 91.439 -6.730 -14.506 1.00 0.00 C ATOM 226 CD1 PHE A 38 91.106 -8.029 -14.908 1.00 0.00 C ATOM 227 CD2 PHE A 38 92.779 -6.389 -14.284 1.00 0.00 C ATOM 228 CE1 PHE A 38 92.111 -8.986 -15.090 1.00 0.00 C ATOM 229 CE2 PHE A 38 93.785 -7.347 -14.465 1.00 0.00 C ATOM 230 CZ PHE A 38 93.450 -8.645 -14.867 1.00 0.00 C ATOM 0 H PHE A 38 88.585 -3.999 -14.544 1.00 0.00 H new ATOM 0 HA PHE A 38 90.985 -4.446 -15.966 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.655 -4.979 -13.549 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.442 -6.176 -13.958 1.00 0.00 H new ATOM 0 HD1 PHE A 38 90.073 -8.293 -15.078 1.00 0.00 H new ATOM 0 HD2 PHE A 38 93.037 -5.387 -13.973 1.00 0.00 H new ATOM 0 HE1 PHE A 38 91.853 -9.987 -15.402 1.00 0.00 H new ATOM 0 HE2 PHE A 38 94.819 -7.084 -14.294 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.225 -9.384 -15.005 1.00 0.00 H new ATOM 240 N ILE A 39 88.585 -6.597 -16.641 1.00 0.00 N ATOM 241 CA ILE A 39 88.226 -7.603 -17.637 1.00 0.00 C ATOM 242 C ILE A 39 88.439 -7.050 -19.043 1.00 0.00 C ATOM 243 O ILE A 39 88.927 -7.749 -19.923 1.00 0.00 O ATOM 244 CB ILE A 39 86.772 -8.064 -17.461 1.00 0.00 C ATOM 245 CG1 ILE A 39 85.870 -6.856 -17.207 1.00 0.00 C ATOM 246 CG2 ILE A 39 86.675 -9.025 -16.272 1.00 0.00 C ATOM 247 CD1 ILE A 39 84.407 -7.258 -17.407 1.00 0.00 C ATOM 0 H ILE A 39 87.878 -6.414 -15.929 1.00 0.00 H new ATOM 0 HA ILE A 39 88.873 -8.468 -17.493 1.00 0.00 H new ATOM 0 HB ILE A 39 86.450 -8.572 -18.370 1.00 0.00 H new ATOM 0 HG12 ILE A 39 86.020 -6.484 -16.194 1.00 0.00 H new ATOM 0 HG13 ILE A 39 86.131 -6.045 -17.887 1.00 0.00 H new ATOM 0 HG21 ILE A 39 85.642 -9.350 -16.150 1.00 0.00 H new ATOM 0 HG22 ILE A 39 87.309 -9.893 -16.453 1.00 0.00 H new ATOM 0 HG23 ILE A 39 87.005 -8.517 -15.366 1.00 0.00 H new ATOM 0 HD11 ILE A 39 83.765 -6.396 -17.226 1.00 0.00 H new ATOM 0 HD12 ILE A 39 84.263 -7.610 -18.429 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.150 -8.055 -16.709 1.00 0.00 H new ATOM 259 N ALA A 40 88.087 -5.811 -19.240 1.00 0.00 N ATOM 260 CA ALA A 40 88.261 -5.171 -20.537 1.00 0.00 C ATOM 261 C ALA A 40 89.738 -4.859 -20.810 1.00 0.00 C ATOM 262 O ALA A 40 90.182 -4.857 -21.954 1.00 0.00 O ATOM 263 CB ALA A 40 87.440 -3.883 -20.593 1.00 0.00 C ATOM 0 H ALA A 40 87.675 -5.213 -18.524 1.00 0.00 H new ATOM 0 HA ALA A 40 87.913 -5.861 -21.306 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.574 -3.408 -21.565 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.386 -4.117 -20.445 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.774 -3.204 -19.809 1.00 0.00 H new ATOM 269 N TRP A 41 90.463 -4.550 -19.769 1.00 0.00 N ATOM 270 CA TRP A 41 91.877 -4.177 -19.885 1.00 0.00 C ATOM 271 C TRP A 41 92.696 -5.154 -20.734 1.00 0.00 C ATOM 272 O TRP A 41 93.662 -4.751 -21.382 1.00 0.00 O ATOM 273 CB TRP A 41 92.498 -4.081 -18.491 1.00 0.00 C ATOM 274 CG TRP A 41 93.858 -3.474 -18.598 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.945 -4.099 -19.102 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.296 -2.140 -18.206 1.00 0.00 C ATOM 277 NE1 TRP A 41 96.022 -3.232 -19.052 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.672 -2.013 -18.506 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.640 -1.039 -17.626 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.372 -0.836 -18.242 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.344 0.146 -17.356 1.00 0.00 C ATOM 282 CH2 TRP A 41 95.708 0.245 -17.665 1.00 0.00 C ATOM 0 H TRP A 41 90.107 -4.545 -18.813 1.00 0.00 H new ATOM 0 HA TRP A 41 91.904 -3.213 -20.392 1.00 0.00 H new ATOM 0 HB2 TRP A 41 91.867 -3.476 -17.840 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.563 -5.071 -18.040 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.969 -5.110 -19.482 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.960 -3.465 -19.379 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.589 -1.105 -17.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.422 -0.763 -18.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 93.832 0.985 -16.908 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.244 1.159 -17.456 1.00 0.00 H new ATOM 293 N THR A 42 92.332 -6.403 -20.732 1.00 0.00 N ATOM 294 CA THR A 42 93.084 -7.391 -21.516 1.00 0.00 C ATOM 295 C THR A 42 92.888 -7.175 -23.020 1.00 0.00 C ATOM 296 O THR A 42 93.774 -7.485 -23.816 1.00 0.00 O ATOM 297 CB THR A 42 92.684 -8.826 -21.134 1.00 0.00 C ATOM 298 OG1 THR A 42 92.806 -9.672 -22.271 1.00 0.00 O ATOM 299 CG2 THR A 42 91.243 -8.844 -20.644 1.00 0.00 C ATOM 0 H THR A 42 91.537 -6.776 -20.213 1.00 0.00 H new ATOM 0 HA THR A 42 94.139 -7.251 -21.282 1.00 0.00 H new ATOM 0 HB THR A 42 93.341 -9.183 -20.341 1.00 0.00 H new ATOM 0 HG1 THR A 42 92.553 -10.587 -22.027 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.963 -9.862 -20.374 1.00 0.00 H new ATOM 0 HG22 THR A 42 91.147 -8.198 -19.771 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.585 -8.484 -21.435 1.00 0.00 H new ATOM 307 N ILE A 43 91.750 -6.657 -23.399 1.00 0.00 N ATOM 308 CA ILE A 43 91.476 -6.419 -24.817 1.00 0.00 C ATOM 309 C ILE A 43 92.570 -5.529 -25.416 1.00 0.00 C ATOM 310 O ILE A 43 93.060 -5.792 -26.512 1.00 0.00 O ATOM 311 CB ILE A 43 90.085 -5.768 -24.995 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.994 -6.839 -24.862 1.00 0.00 C ATOM 313 CG2 ILE A 43 89.969 -5.118 -26.380 1.00 0.00 C ATOM 314 CD1 ILE A 43 89.180 -7.615 -23.557 1.00 0.00 C ATOM 0 H ILE A 43 90.997 -6.390 -22.765 1.00 0.00 H new ATOM 0 HA ILE A 43 91.474 -7.374 -25.343 1.00 0.00 H new ATOM 0 HB ILE A 43 89.961 -5.005 -24.226 1.00 0.00 H new ATOM 0 HG12 ILE A 43 88.010 -6.371 -24.880 1.00 0.00 H new ATOM 0 HG13 ILE A 43 89.038 -7.522 -25.710 1.00 0.00 H new ATOM 0 HG21 ILE A 43 88.984 -4.665 -26.488 1.00 0.00 H new ATOM 0 HG22 ILE A 43 90.735 -4.350 -26.487 1.00 0.00 H new ATOM 0 HG23 ILE A 43 90.106 -5.877 -27.151 1.00 0.00 H new ATOM 0 HD11 ILE A 43 88.402 -8.373 -23.470 1.00 0.00 H new ATOM 0 HD12 ILE A 43 90.158 -8.097 -23.556 1.00 0.00 H new ATOM 0 HD13 ILE A 43 89.113 -6.929 -22.713 1.00 0.00 H new ATOM 326 N GLY A 44 92.925 -4.490 -24.713 1.00 0.00 N ATOM 327 CA GLY A 44 93.940 -3.557 -25.196 1.00 0.00 C ATOM 328 C GLY A 44 95.170 -4.290 -25.722 1.00 0.00 C ATOM 329 O GLY A 44 95.865 -3.790 -26.607 1.00 0.00 O ATOM 0 H GLY A 44 92.534 -4.256 -23.801 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.519 -2.937 -25.988 1.00 0.00 H new ATOM 0 HA3 GLY A 44 94.233 -2.886 -24.388 1.00 0.00 H new ATOM 333 N HIS A 45 95.430 -5.451 -25.195 1.00 0.00 N ATOM 334 CA HIS A 45 96.582 -6.232 -25.634 1.00 0.00 C ATOM 335 C HIS A 45 96.618 -6.317 -27.162 1.00 0.00 C ATOM 336 O HIS A 45 97.679 -6.488 -27.758 1.00 0.00 O ATOM 337 CB HIS A 45 96.525 -7.639 -25.041 1.00 0.00 C ATOM 338 CG HIS A 45 97.787 -8.376 -25.395 1.00 0.00 C ATOM 339 ND1 HIS A 45 97.841 -9.290 -26.435 1.00 0.00 N ATOM 340 CD2 HIS A 45 99.053 -8.338 -24.862 1.00 0.00 C ATOM 341 CE1 HIS A 45 99.100 -9.762 -26.495 1.00 0.00 C ATOM 342 NE2 HIS A 45 99.880 -9.214 -25.559 1.00 0.00 N ATOM 0 H HIS A 45 94.871 -5.889 -24.463 1.00 0.00 H new ATOM 0 HA HIS A 45 97.487 -5.735 -25.285 1.00 0.00 H new ATOM 0 HB2 HIS A 45 96.412 -7.586 -23.958 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.657 -8.174 -25.426 1.00 0.00 H new ATOM 0 HD2 HIS A 45 99.360 -7.722 -24.029 1.00 0.00 H new ATOM 0 HE1 HIS A 45 99.439 -10.495 -27.213 1.00 0.00 H new ATOM 0 HE2 HIS A 45 100.869 -9.398 -25.391 1.00 0.00 H new ATOM 495 N PRO B 25 83.981 15.481 1.004 1.00 0.00 N ATOM 496 CA PRO B 25 83.605 14.777 -0.258 1.00 0.00 C ATOM 497 C PRO B 25 84.834 14.439 -1.102 1.00 0.00 C ATOM 498 O PRO B 25 84.741 14.284 -2.320 1.00 0.00 O ATOM 499 CB PRO B 25 82.699 15.790 -0.969 1.00 0.00 C ATOM 500 CG PRO B 25 83.184 17.124 -0.501 1.00 0.00 C ATOM 501 CD PRO B 25 83.662 16.919 0.942 1.00 0.00 C ATOM 0 HA PRO B 25 83.116 13.819 -0.079 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.776 15.698 -2.052 1.00 0.00 H new ATOM 0 HB3 PRO B 25 81.652 15.636 -0.709 1.00 0.00 H new ATOM 0 HG2 PRO B 25 83.995 17.488 -1.132 1.00 0.00 H new ATOM 0 HG3 PRO B 25 82.387 17.866 -0.546 1.00 0.00 H new ATOM 0 HD2 PRO B 25 84.535 17.533 1.166 1.00 0.00 H new ATOM 0 HD3 PRO B 25 82.889 17.189 1.662 1.00 0.00 H new ATOM 509 N LEU B 26 85.961 14.331 -0.454 1.00 0.00 N ATOM 510 CA LEU B 26 87.204 14.013 -1.146 1.00 0.00 C ATOM 511 C LEU B 26 87.189 12.566 -1.635 1.00 0.00 C ATOM 512 O LEU B 26 87.592 12.276 -2.762 1.00 0.00 O ATOM 513 CB LEU B 26 88.394 14.237 -0.206 1.00 0.00 C ATOM 514 CG LEU B 26 89.721 14.002 -0.947 1.00 0.00 C ATOM 515 CD1 LEU B 26 89.883 15.021 -2.091 1.00 0.00 C ATOM 516 CD2 LEU B 26 90.876 14.154 0.049 1.00 0.00 C ATOM 0 H LEU B 26 86.056 14.457 0.554 1.00 0.00 H new ATOM 0 HA LEU B 26 87.301 14.670 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU B 26 88.367 15.253 0.189 1.00 0.00 H new ATOM 0 HB3 LEU B 26 88.323 13.562 0.647 1.00 0.00 H new ATOM 0 HG LEU B 26 89.726 12.999 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU B 26 90.827 14.842 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU B 26 89.058 14.911 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU B 26 89.879 16.031 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU B 26 91.823 13.990 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU B 26 90.862 15.159 0.472 1.00 0.00 H new ATOM 0 HD23 LEU B 26 90.765 13.422 0.849 1.00 0.00 H new ATOM 528 N VAL B 27 86.728 11.678 -0.795 1.00 0.00 N ATOM 529 CA VAL B 27 86.661 10.263 -1.147 1.00 0.00 C ATOM 530 C VAL B 27 85.586 10.019 -2.201 1.00 0.00 C ATOM 531 O VAL B 27 85.789 9.257 -3.146 1.00 0.00 O ATOM 532 CB VAL B 27 86.354 9.432 0.100 1.00 0.00 C ATOM 533 CG1 VAL B 27 86.204 7.960 -0.289 1.00 0.00 C ATOM 534 CG2 VAL B 27 87.499 9.578 1.105 1.00 0.00 C ATOM 0 H VAL B 27 86.390 11.898 0.142 1.00 0.00 H new ATOM 0 HA VAL B 27 87.626 9.964 -1.557 1.00 0.00 H new ATOM 0 HB VAL B 27 85.426 9.785 0.550 1.00 0.00 H new ATOM 0 HG11 VAL B 27 85.985 7.369 0.600 1.00 0.00 H new ATOM 0 HG12 VAL B 27 85.389 7.854 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL B 27 87.131 7.607 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL B 27 87.281 8.986 1.994 1.00 0.00 H new ATOM 0 HG22 VAL B 27 88.427 9.226 0.653 1.00 0.00 H new ATOM 0 HG23 VAL B 27 87.606 10.626 1.385 1.00 0.00 H new ATOM 544 N VAL B 28 84.465 10.665 -2.036 1.00 0.00 N ATOM 545 CA VAL B 28 83.363 10.519 -2.981 1.00 0.00 C ATOM 546 C VAL B 28 83.716 11.183 -4.307 1.00 0.00 C ATOM 547 O VAL B 28 83.423 10.654 -5.378 1.00 0.00 O ATOM 548 CB VAL B 28 82.089 11.146 -2.407 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.922 10.934 -3.382 1.00 0.00 C ATOM 550 CG2 VAL B 28 81.764 10.495 -1.054 1.00 0.00 C ATOM 0 H VAL B 28 84.278 11.300 -1.260 1.00 0.00 H new ATOM 0 HA VAL B 28 83.189 9.457 -3.153 1.00 0.00 H new ATOM 0 HB VAL B 28 82.243 12.216 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL B 28 80.018 11.382 -2.970 1.00 0.00 H new ATOM 0 HG12 VAL B 28 81.156 11.403 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.763 9.866 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.857 10.940 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL B 28 81.612 9.425 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL B 28 82.592 10.657 -0.364 1.00 0.00 H new ATOM 560 N ALA B 29 84.331 12.330 -4.223 1.00 0.00 N ATOM 561 CA ALA B 29 84.716 13.070 -5.419 1.00 0.00 C ATOM 562 C ALA B 29 85.436 12.152 -6.402 1.00 0.00 C ATOM 563 O ALA B 29 85.259 12.265 -7.615 1.00 0.00 O ATOM 564 CB ALA B 29 85.633 14.235 -5.041 1.00 0.00 C ATOM 0 H ALA B 29 84.582 12.783 -3.344 1.00 0.00 H new ATOM 0 HA ALA B 29 83.814 13.459 -5.892 1.00 0.00 H new ATOM 0 HB1 ALA B 29 85.916 14.782 -5.940 1.00 0.00 H new ATOM 0 HB2 ALA B 29 85.109 14.904 -4.359 1.00 0.00 H new ATOM 0 HB3 ALA B 29 86.529 13.850 -4.554 1.00 0.00 H new ATOM 570 N ALA B 30 86.230 11.257 -5.883 1.00 0.00 N ATOM 571 CA ALA B 30 86.966 10.321 -6.726 1.00 0.00 C ATOM 572 C ALA B 30 86.008 9.507 -7.594 1.00 0.00 C ATOM 573 O ALA B 30 86.360 9.084 -8.696 1.00 0.00 O ATOM 574 CB ALA B 30 87.795 9.374 -5.854 1.00 0.00 C ATOM 0 H ALA B 30 86.392 11.146 -4.882 1.00 0.00 H new ATOM 0 HA ALA B 30 87.628 10.893 -7.376 1.00 0.00 H new ATOM 0 HB1 ALA B 30 88.342 8.678 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.501 9.952 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA B 30 87.133 8.816 -5.191 1.00 0.00 H new ATOM 580 N SER B 31 84.821 9.294 -7.096 1.00 0.00 N ATOM 581 CA SER B 31 83.819 8.525 -7.829 1.00 0.00 C ATOM 582 C SER B 31 83.525 9.169 -9.183 1.00 0.00 C ATOM 583 O SER B 31 83.388 8.477 -10.192 1.00 0.00 O ATOM 584 CB SER B 31 82.526 8.438 -7.017 1.00 0.00 C ATOM 585 OG SER B 31 81.597 7.607 -7.702 1.00 0.00 O ATOM 0 H SER B 31 84.512 9.637 -6.187 1.00 0.00 H new ATOM 0 HA SER B 31 84.215 7.523 -7.994 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.732 8.033 -6.026 1.00 0.00 H new ATOM 0 HB3 SER B 31 82.105 9.433 -6.874 1.00 0.00 H new ATOM 0 HG SER B 31 80.767 7.547 -7.184 1.00 0.00 H new ATOM 591 N ILE B 32 83.426 10.469 -9.195 1.00 0.00 N ATOM 592 CA ILE B 32 83.141 11.195 -10.429 1.00 0.00 C ATOM 593 C ILE B 32 84.092 10.761 -11.542 1.00 0.00 C ATOM 594 O ILE B 32 83.699 10.674 -12.706 1.00 0.00 O ATOM 595 CB ILE B 32 83.283 12.700 -10.194 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.504 13.111 -8.936 1.00 0.00 C ATOM 597 CG2 ILE B 32 82.739 13.463 -11.405 1.00 0.00 C ATOM 598 CD1 ILE B 32 81.063 12.596 -9.010 1.00 0.00 C ATOM 0 H ILE B 32 83.536 11.059 -8.371 1.00 0.00 H new ATOM 0 HA ILE B 32 82.119 10.968 -10.732 1.00 0.00 H new ATOM 0 HB ILE B 32 84.337 12.940 -10.056 1.00 0.00 H new ATOM 0 HG12 ILE B 32 82.995 12.711 -8.049 1.00 0.00 H new ATOM 0 HG13 ILE B 32 82.505 14.197 -8.838 1.00 0.00 H new ATOM 0 HG21 ILE B 32 82.841 14.535 -11.236 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.301 13.181 -12.295 1.00 0.00 H new ATOM 0 HG23 ILE B 32 81.687 13.217 -11.547 1.00 0.00 H new ATOM 0 HD11 ILE B 32 80.523 12.895 -8.112 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.571 13.017 -9.886 1.00 0.00 H new ATOM 0 HD13 ILE B 32 81.069 11.509 -9.085 1.00 0.00 H new ATOM 610 N ILE B 33 85.319 10.496 -11.185 1.00 0.00 N ATOM 611 CA ILE B 33 86.314 10.072 -12.165 1.00 0.00 C ATOM 612 C ILE B 33 85.996 8.662 -12.662 1.00 0.00 C ATOM 613 O ILE B 33 86.311 8.309 -13.799 1.00 0.00 O ATOM 614 CB ILE B 33 87.727 10.115 -11.548 1.00 0.00 C ATOM 615 CG1 ILE B 33 88.002 11.534 -10.999 1.00 0.00 C ATOM 616 CG2 ILE B 33 88.778 9.758 -12.620 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.502 11.735 -10.741 1.00 0.00 C ATOM 0 H ILE B 33 85.665 10.562 -10.228 1.00 0.00 H new ATOM 0 HA ILE B 33 86.284 10.758 -13.012 1.00 0.00 H new ATOM 0 HB ILE B 33 87.790 9.391 -10.735 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.647 12.280 -11.711 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.445 11.686 -10.074 1.00 0.00 H new ATOM 0 HG21 ILE B 33 89.774 9.790 -12.178 1.00 0.00 H new ATOM 0 HG22 ILE B 33 88.583 8.756 -13.002 1.00 0.00 H new ATOM 0 HG23 ILE B 33 88.721 10.475 -13.439 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.673 12.740 -10.355 1.00 0.00 H new ATOM 0 HD12 ILE B 33 89.847 11.002 -10.011 1.00 0.00 H new ATOM 0 HD13 ILE B 33 90.052 11.606 -11.673 1.00 0.00 H new ATOM 629 N GLY B 34 85.385 7.872 -11.821 1.00 0.00 N ATOM 630 CA GLY B 34 85.039 6.504 -12.191 1.00 0.00 C ATOM 631 C GLY B 34 84.036 6.469 -13.340 1.00 0.00 C ATOM 632 O GLY B 34 84.233 5.759 -14.326 1.00 0.00 O ATOM 0 H GLY B 34 85.112 8.140 -10.875 1.00 0.00 H new ATOM 0 HA2 GLY B 34 85.942 5.965 -12.479 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.621 5.987 -11.327 1.00 0.00 H new ATOM 636 N ILE B 35 82.972 7.216 -13.208 1.00 0.00 N ATOM 637 CA ILE B 35 81.944 7.246 -14.245 1.00 0.00 C ATOM 638 C ILE B 35 82.508 7.784 -15.560 1.00 0.00 C ATOM 639 O ILE B 35 82.237 7.236 -16.628 1.00 0.00 O ATOM 640 CB ILE B 35 80.753 8.099 -13.789 1.00 0.00 C ATOM 641 CG1 ILE B 35 81.250 9.433 -13.219 1.00 0.00 C ATOM 642 CG2 ILE B 35 79.973 7.348 -12.707 1.00 0.00 C ATOM 643 CD1 ILE B 35 80.050 10.302 -12.834 1.00 0.00 C ATOM 0 H ILE B 35 82.784 7.813 -12.402 1.00 0.00 H new ATOM 0 HA ILE B 35 81.603 6.225 -14.414 1.00 0.00 H new ATOM 0 HB ILE B 35 80.106 8.292 -14.645 1.00 0.00 H new ATOM 0 HG12 ILE B 35 81.879 9.256 -12.347 1.00 0.00 H new ATOM 0 HG13 ILE B 35 81.865 9.949 -13.956 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.127 7.953 -12.382 1.00 0.00 H new ATOM 0 HG22 ILE B 35 79.610 6.403 -13.110 1.00 0.00 H new ATOM 0 HG23 ILE B 35 80.627 7.152 -11.857 1.00 0.00 H new ATOM 0 HD11 ILE B 35 80.403 11.250 -12.429 1.00 0.00 H new ATOM 0 HD12 ILE B 35 79.438 10.490 -13.717 1.00 0.00 H new ATOM 0 HD13 ILE B 35 79.453 9.786 -12.082 1.00 0.00 H new ATOM 655 N LEU B 36 83.280 8.834 -15.481 1.00 0.00 N ATOM 656 CA LEU B 36 83.872 9.420 -16.679 1.00 0.00 C ATOM 657 C LEU B 36 84.797 8.408 -17.347 1.00 0.00 C ATOM 658 O LEU B 36 84.717 8.175 -18.553 1.00 0.00 O ATOM 659 CB LEU B 36 84.654 10.686 -16.304 1.00 0.00 C ATOM 660 CG LEU B 36 85.369 11.265 -17.534 1.00 0.00 C ATOM 661 CD1 LEU B 36 84.361 11.526 -18.663 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.047 12.582 -17.138 1.00 0.00 C ATOM 0 H LEU B 36 83.520 9.308 -14.610 1.00 0.00 H new ATOM 0 HA LEU B 36 83.080 9.688 -17.378 1.00 0.00 H new ATOM 0 HB2 LEU B 36 83.974 11.430 -15.888 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.384 10.453 -15.529 1.00 0.00 H new ATOM 0 HG LEU B 36 86.113 10.551 -17.889 1.00 0.00 H new ATOM 0 HD11 LEU B 36 84.882 11.936 -19.528 1.00 0.00 H new ATOM 0 HD12 LEU B 36 83.876 10.590 -18.941 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.609 12.237 -18.322 1.00 0.00 H new ATOM 0 HD21 LEU B 36 86.558 13.003 -18.004 1.00 0.00 H new ATOM 0 HD22 LEU B 36 85.295 13.286 -16.783 1.00 0.00 H new ATOM 0 HD23 LEU B 36 86.771 12.394 -16.345 1.00 0.00 H new ATOM 674 N HIS B 37 85.655 7.826 -16.561 1.00 0.00 N ATOM 675 CA HIS B 37 86.604 6.836 -17.056 1.00 0.00 C ATOM 676 C HIS B 37 85.896 5.770 -17.890 1.00 0.00 C ATOM 677 O HIS B 37 86.418 5.319 -18.911 1.00 0.00 O ATOM 678 CB HIS B 37 87.304 6.188 -15.859 1.00 0.00 C ATOM 679 CG HIS B 37 88.212 5.080 -16.313 1.00 0.00 C ATOM 680 ND1 HIS B 37 87.790 3.762 -16.377 1.00 0.00 N ATOM 681 CD2 HIS B 37 89.528 5.073 -16.698 1.00 0.00 C ATOM 682 CE1 HIS B 37 88.838 3.021 -16.781 1.00 0.00 C ATOM 683 NE2 HIS B 37 89.923 3.771 -16.992 1.00 0.00 N ATOM 0 H HIS B 37 85.727 8.014 -15.561 1.00 0.00 H new ATOM 0 HA HIS B 37 87.336 7.328 -17.697 1.00 0.00 H new ATOM 0 HB2 HIS B 37 87.880 6.939 -15.318 1.00 0.00 H new ATOM 0 HB3 HIS B 37 86.561 5.795 -15.165 1.00 0.00 H new ATOM 0 HD2 HIS B 37 90.162 5.945 -16.763 1.00 0.00 H new ATOM 0 HE1 HIS B 37 88.806 1.950 -16.918 1.00 0.00 H new ATOM 0 HE2 HIS B 37 90.843 3.457 -17.302 1.00 0.00 H new ATOM 692 N PHE B 38 84.732 5.374 -17.454 1.00 0.00 N ATOM 693 CA PHE B 38 83.962 4.355 -18.163 1.00 0.00 C ATOM 694 C PHE B 38 83.424 4.884 -19.492 1.00 0.00 C ATOM 695 O PHE B 38 83.404 4.164 -20.489 1.00 0.00 O ATOM 696 CB PHE B 38 82.796 3.883 -17.294 1.00 0.00 C ATOM 697 CG PHE B 38 81.997 2.844 -18.046 1.00 0.00 C ATOM 698 CD1 PHE B 38 82.366 1.495 -17.982 1.00 0.00 C ATOM 699 CD2 PHE B 38 80.889 3.232 -18.808 1.00 0.00 C ATOM 700 CE1 PHE B 38 81.625 0.534 -18.680 1.00 0.00 C ATOM 701 CE2 PHE B 38 80.148 2.270 -19.507 1.00 0.00 C ATOM 702 CZ PHE B 38 80.517 0.922 -19.443 1.00 0.00 C ATOM 0 H PHE B 38 84.284 5.734 -16.611 1.00 0.00 H new ATOM 0 HA PHE B 38 84.630 3.519 -18.372 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.171 3.464 -16.360 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.159 4.727 -17.031 1.00 0.00 H new ATOM 0 HD1 PHE B 38 83.222 1.196 -17.395 1.00 0.00 H new ATOM 0 HD2 PHE B 38 80.605 4.273 -18.857 1.00 0.00 H new ATOM 0 HE1 PHE B 38 81.908 -0.507 -18.630 1.00 0.00 H new ATOM 0 HE2 PHE B 38 79.293 2.569 -20.095 1.00 0.00 H new ATOM 0 HZ PHE B 38 79.947 0.180 -19.982 1.00 0.00 H new ATOM 712 N ILE B 39 82.980 6.112 -19.500 1.00 0.00 N ATOM 713 CA ILE B 39 82.432 6.699 -20.719 1.00 0.00 C ATOM 714 C ILE B 39 83.477 6.722 -21.832 1.00 0.00 C ATOM 715 O ILE B 39 83.173 6.399 -22.979 1.00 0.00 O ATOM 716 CB ILE B 39 81.920 8.121 -20.441 1.00 0.00 C ATOM 717 CG1 ILE B 39 80.672 8.041 -19.554 1.00 0.00 C ATOM 718 CG2 ILE B 39 81.559 8.811 -21.761 1.00 0.00 C ATOM 719 CD1 ILE B 39 80.289 9.439 -19.055 1.00 0.00 C ATOM 0 H ILE B 39 82.981 6.731 -18.689 1.00 0.00 H new ATOM 0 HA ILE B 39 81.597 6.081 -21.049 1.00 0.00 H new ATOM 0 HB ILE B 39 82.698 8.694 -19.937 1.00 0.00 H new ATOM 0 HG12 ILE B 39 79.844 7.608 -20.116 1.00 0.00 H new ATOM 0 HG13 ILE B 39 80.861 7.383 -18.706 1.00 0.00 H new ATOM 0 HG21 ILE B 39 81.197 9.819 -21.558 1.00 0.00 H new ATOM 0 HG22 ILE B 39 82.443 8.865 -22.397 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.781 8.241 -22.268 1.00 0.00 H new ATOM 0 HD11 ILE B 39 79.401 9.370 -18.426 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.113 9.857 -18.476 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.080 10.085 -19.908 1.00 0.00 H new ATOM 731 N ALA B 40 84.683 7.100 -21.507 1.00 0.00 N ATOM 732 CA ALA B 40 85.741 7.156 -22.508 1.00 0.00 C ATOM 733 C ALA B 40 86.074 5.756 -23.016 1.00 0.00 C ATOM 734 O ALA B 40 86.301 5.552 -24.207 1.00 0.00 O ATOM 735 CB ALA B 40 86.991 7.796 -21.900 1.00 0.00 C ATOM 0 H ALA B 40 84.968 7.374 -20.567 1.00 0.00 H new ATOM 0 HA ALA B 40 85.395 7.758 -23.349 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.781 7.837 -22.650 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.756 8.806 -21.565 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.328 7.201 -21.051 1.00 0.00 H new ATOM 741 N TRP B 41 86.108 4.817 -22.114 1.00 0.00 N ATOM 742 CA TRP B 41 86.424 3.434 -22.458 1.00 0.00 C ATOM 743 C TRP B 41 85.583 2.950 -23.638 1.00 0.00 C ATOM 744 O TRP B 41 86.037 2.136 -24.444 1.00 0.00 O ATOM 745 CB TRP B 41 86.160 2.539 -21.244 1.00 0.00 C ATOM 746 CG TRP B 41 86.851 1.223 -21.412 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.506 0.266 -22.306 1.00 0.00 C ATOM 748 CD2 TRP B 41 87.991 0.702 -20.673 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.371 -0.805 -22.166 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.300 -0.584 -21.171 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.779 1.215 -19.630 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.354 -1.332 -20.653 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.841 0.463 -19.103 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.127 -0.810 -19.615 1.00 0.00 C ATOM 0 H TRP B 41 85.921 4.972 -21.123 1.00 0.00 H new ATOM 0 HA TRP B 41 87.474 3.382 -22.744 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.513 3.030 -20.337 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.088 2.382 -21.125 1.00 0.00 H new ATOM 0 HD1 TRP B 41 85.691 0.328 -23.011 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.327 -1.654 -22.730 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.566 2.196 -19.230 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.572 -2.311 -21.053 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.440 0.867 -18.300 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.944 -1.386 -19.207 1.00 0.00 H new ATOM 765 N THR B 42 84.381 3.442 -23.733 1.00 0.00 N ATOM 766 CA THR B 42 83.489 3.041 -24.819 1.00 0.00 C ATOM 767 C THR B 42 84.084 3.405 -26.179 1.00 0.00 C ATOM 768 O THR B 42 83.948 2.653 -27.144 1.00 0.00 O ATOM 769 CB THR B 42 82.124 3.713 -24.658 1.00 0.00 C ATOM 770 OG1 THR B 42 82.276 5.122 -24.744 1.00 0.00 O ATOM 771 CG2 THR B 42 81.528 3.342 -23.299 1.00 0.00 C ATOM 0 H THR B 42 83.984 4.119 -23.082 1.00 0.00 H new ATOM 0 HA THR B 42 83.367 1.959 -24.772 1.00 0.00 H new ATOM 0 HB THR B 42 81.456 3.373 -25.450 1.00 0.00 H new ATOM 0 HG1 THR B 42 82.884 5.429 -24.039 1.00 0.00 H new ATOM 0 HG21 THR B 42 80.556 3.821 -23.185 1.00 0.00 H new ATOM 0 HG22 THR B 42 81.409 2.260 -23.237 1.00 0.00 H new ATOM 0 HG23 THR B 42 82.194 3.680 -22.505 1.00 0.00 H new ATOM 779 N ILE B 43 84.722 4.540 -26.249 1.00 0.00 N ATOM 780 CA ILE B 43 85.323 4.990 -27.504 1.00 0.00 C ATOM 781 C ILE B 43 86.404 4.007 -27.964 1.00 0.00 C ATOM 782 O ILE B 43 86.410 3.573 -29.114 1.00 0.00 O ATOM 783 CB ILE B 43 85.922 6.402 -27.318 1.00 0.00 C ATOM 784 CG1 ILE B 43 84.796 7.445 -27.322 1.00 0.00 C ATOM 785 CG2 ILE B 43 86.903 6.728 -28.454 1.00 0.00 C ATOM 786 CD1 ILE B 43 83.766 7.110 -26.242 1.00 0.00 C ATOM 0 H ILE B 43 84.847 5.178 -25.463 1.00 0.00 H new ATOM 0 HA ILE B 43 84.550 5.030 -28.272 1.00 0.00 H new ATOM 0 HB ILE B 43 86.454 6.426 -26.367 1.00 0.00 H new ATOM 0 HG12 ILE B 43 85.209 8.438 -27.146 1.00 0.00 H new ATOM 0 HG13 ILE B 43 84.315 7.468 -28.300 1.00 0.00 H new ATOM 0 HG21 ILE B 43 87.314 7.727 -28.305 1.00 0.00 H new ATOM 0 HG22 ILE B 43 87.713 5.999 -28.456 1.00 0.00 H new ATOM 0 HG23 ILE B 43 86.379 6.690 -29.409 1.00 0.00 H new ATOM 0 HD11 ILE B 43 82.971 7.856 -26.253 1.00 0.00 H new ATOM 0 HD12 ILE B 43 83.342 6.125 -26.437 1.00 0.00 H new ATOM 0 HD13 ILE B 43 84.250 7.110 -25.265 1.00 0.00 H new ATOM 798 N GLY B 44 87.303 3.677 -27.079 1.00 0.00 N ATOM 799 CA GLY B 44 88.393 2.760 -27.408 1.00 0.00 C ATOM 800 C GLY B 44 87.887 1.481 -28.071 1.00 0.00 C ATOM 801 O GLY B 44 88.596 0.865 -28.866 1.00 0.00 O ATOM 0 H GLY B 44 87.315 4.022 -26.119 1.00 0.00 H new ATOM 0 HA2 GLY B 44 89.097 3.259 -28.074 1.00 0.00 H new ATOM 0 HA3 GLY B 44 88.939 2.505 -26.499 1.00 0.00 H new ATOM 805 N HIS B 45 86.691 1.083 -27.737 1.00 0.00 N ATOM 806 CA HIS B 45 86.112 -0.136 -28.295 1.00 0.00 C ATOM 807 C HIS B 45 86.045 -0.087 -29.822 1.00 0.00 C ATOM 808 O HIS B 45 86.055 -1.128 -30.479 1.00 0.00 O ATOM 809 CB HIS B 45 84.706 -0.351 -27.731 1.00 0.00 C ATOM 810 CG HIS B 45 84.253 -1.755 -28.032 1.00 0.00 C ATOM 811 ND1 HIS B 45 83.027 -2.029 -28.621 1.00 0.00 N ATOM 812 CD2 HIS B 45 84.853 -2.974 -27.832 1.00 0.00 C ATOM 813 CE1 HIS B 45 82.931 -3.364 -28.754 1.00 0.00 C ATOM 814 NE2 HIS B 45 84.017 -3.989 -28.288 1.00 0.00 N ATOM 0 H HIS B 45 86.087 1.577 -27.081 1.00 0.00 H new ATOM 0 HA HIS B 45 86.759 -0.966 -28.012 1.00 0.00 H new ATOM 0 HB2 HIS B 45 84.705 -0.180 -26.654 1.00 0.00 H new ATOM 0 HB3 HIS B 45 84.013 0.368 -28.169 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.826 -3.123 -27.388 1.00 0.00 H new ATOM 0 HE1 HIS B 45 82.080 -3.870 -29.185 1.00 0.00 H new ATOM 0 HE2 HIS B 45 84.195 -4.993 -28.270 1.00 0.00 H new ATOM 823 N LEU B 46 85.932 1.091 -30.374 1.00 0.00 N ATOM 824 CA LEU B 46 85.809 1.224 -31.824 1.00 0.00 C ATOM 825 C LEU B 46 86.849 0.370 -32.551 1.00 0.00 C ATOM 826 O LEU B 46 86.595 -0.118 -33.653 1.00 0.00 O ATOM 827 CB LEU B 46 85.919 2.714 -32.233 1.00 0.00 C ATOM 828 CG LEU B 46 87.401 3.169 -32.382 1.00 0.00 C ATOM 829 CD1 LEU B 46 87.857 3.074 -33.850 1.00 0.00 C ATOM 830 CD2 LEU B 46 87.543 4.632 -31.931 1.00 0.00 C ATOM 0 H LEU B 46 85.921 1.972 -29.859 1.00 0.00 H new ATOM 0 HA LEU B 46 84.827 0.856 -32.121 1.00 0.00 H new ATOM 0 HB2 LEU B 46 85.395 2.871 -33.176 1.00 0.00 H new ATOM 0 HB3 LEU B 46 85.423 3.333 -31.485 1.00 0.00 H new ATOM 0 HG LEU B 46 88.017 2.515 -31.765 1.00 0.00 H new ATOM 0 HD11 LEU B 46 88.895 3.397 -33.930 1.00 0.00 H new ATOM 0 HD12 LEU B 46 87.770 2.043 -34.192 1.00 0.00 H new ATOM 0 HD13 LEU B 46 87.229 3.715 -34.468 1.00 0.00 H new ATOM 0 HD21 LEU B 46 88.581 4.946 -32.037 1.00 0.00 H new ATOM 0 HD22 LEU B 46 86.907 5.266 -32.548 1.00 0.00 H new ATOM 0 HD23 LEU B 46 87.241 4.722 -30.887 1.00 0.00 H new ATOM 842 N ASN B 47 88.001 0.201 -31.962 1.00 0.00 N ATOM 843 CA ASN B 47 89.059 -0.591 -32.592 1.00 0.00 C ATOM 844 C ASN B 47 88.644 -2.057 -32.797 1.00 0.00 C ATOM 845 O ASN B 47 88.892 -2.631 -33.857 1.00 0.00 O ATOM 846 CB ASN B 47 90.322 -0.541 -31.729 1.00 0.00 C ATOM 847 CG ASN B 47 90.934 0.855 -31.779 1.00 0.00 C ATOM 848 OD1 ASN B 47 90.973 1.480 -32.839 1.00 0.00 O ATOM 849 ND2 ASN B 47 91.419 1.384 -30.689 1.00 0.00 N ATOM 0 H ASN B 47 88.245 0.592 -31.052 1.00 0.00 H new ATOM 0 HA ASN B 47 89.250 -0.158 -33.574 1.00 0.00 H new ATOM 0 HB2 ASN B 47 90.079 -0.804 -30.699 1.00 0.00 H new ATOM 0 HB3 ASN B 47 91.044 -1.276 -32.084 1.00 0.00 H new ATOM 0 HD21 ASN B 47 91.831 2.317 -30.714 1.00 0.00 H new ATOM 0 HD22 ASN B 47 91.386 0.865 -29.812 1.00 0.00 H new ATOM 856 N GLN B 48 88.049 -2.655 -31.794 1.00 0.00 N ATOM 857 CA GLN B 48 87.639 -4.041 -31.860 1.00 0.00 C ATOM 858 C GLN B 48 86.605 -4.282 -32.963 1.00 0.00 C ATOM 859 O GLN B 48 86.774 -5.162 -33.807 1.00 0.00 O ATOM 860 CB GLN B 48 87.062 -4.420 -30.486 1.00 0.00 C ATOM 861 CG GLN B 48 88.152 -5.005 -29.579 1.00 0.00 C ATOM 862 CD GLN B 48 88.595 -6.367 -30.103 1.00 0.00 C ATOM 863 OE1 GLN B 48 87.759 -7.196 -30.466 1.00 0.00 O ATOM 864 NE2 GLN B 48 89.868 -6.651 -30.161 1.00 0.00 N ATOM 0 H GLN B 48 87.834 -2.197 -30.908 1.00 0.00 H new ATOM 0 HA GLN B 48 88.500 -4.663 -32.105 1.00 0.00 H new ATOM 0 HB2 GLN B 48 86.625 -3.540 -30.015 1.00 0.00 H new ATOM 0 HB3 GLN B 48 86.259 -5.146 -30.612 1.00 0.00 H new ATOM 0 HG2 GLN B 48 89.005 -4.327 -29.539 1.00 0.00 H new ATOM 0 HG3 GLN B 48 87.775 -5.103 -28.561 1.00 0.00 H new ATOM 0 HE21 GLN B 48 90.558 -5.963 -29.860 1.00 0.00 H new ATOM 0 HE22 GLN B 48 90.172 -7.561 -30.507 1.00 0.00 H new ATOM 873 N ILE B 49 85.556 -3.522 -32.933 1.00 0.00 N ATOM 874 CA ILE B 49 84.489 -3.672 -33.926 1.00 0.00 C ATOM 875 C ILE B 49 85.027 -3.475 -35.351 1.00 0.00 C ATOM 876 O ILE B 49 85.061 -4.426 -36.131 1.00 0.00 O ATOM 877 CB ILE B 49 83.322 -2.707 -33.626 1.00 0.00 C ATOM 878 CG1 ILE B 49 82.323 -2.705 -34.795 1.00 0.00 C ATOM 879 CG2 ILE B 49 83.836 -1.281 -33.389 1.00 0.00 C ATOM 880 CD1 ILE B 49 81.924 -4.141 -35.148 1.00 0.00 C ATOM 0 H ILE B 49 85.397 -2.788 -32.243 1.00 0.00 H new ATOM 0 HA ILE B 49 84.105 -4.690 -33.860 1.00 0.00 H new ATOM 0 HB ILE B 49 82.823 -3.053 -32.721 1.00 0.00 H new ATOM 0 HG12 ILE B 49 81.438 -2.129 -34.526 1.00 0.00 H new ATOM 0 HG13 ILE B 49 82.768 -2.219 -35.663 1.00 0.00 H new ATOM 0 HG21 ILE B 49 82.994 -0.621 -33.180 1.00 0.00 H new ATOM 0 HG22 ILE B 49 84.520 -1.277 -32.540 1.00 0.00 H new ATOM 0 HG23 ILE B 49 84.360 -0.930 -34.278 1.00 0.00 H new ATOM 0 HD11 ILE B 49 81.216 -4.129 -35.977 1.00 0.00 H new ATOM 0 HD12 ILE B 49 82.811 -4.705 -35.437 1.00 0.00 H new ATOM 0 HD13 ILE B 49 81.460 -4.613 -34.282 1.00 0.00 H new ATOM 967 N PRO C 25 95.678 8.690 5.321 1.00 0.00 N ATOM 968 CA PRO C 25 95.875 9.270 3.957 1.00 0.00 C ATOM 969 C PRO C 25 96.134 8.184 2.912 1.00 0.00 C ATOM 970 O PRO C 25 96.528 8.474 1.784 1.00 0.00 O ATOM 971 CB PRO C 25 97.102 10.169 4.139 1.00 0.00 C ATOM 972 CG PRO C 25 97.896 9.503 5.215 1.00 0.00 C ATOM 973 CD PRO C 25 96.872 8.874 6.166 1.00 0.00 C ATOM 0 HA PRO C 25 94.998 9.805 3.593 1.00 0.00 H new ATOM 0 HB2 PRO C 25 97.675 10.251 3.215 1.00 0.00 H new ATOM 0 HB3 PRO C 25 96.814 11.180 4.426 1.00 0.00 H new ATOM 0 HG2 PRO C 25 98.559 8.745 4.798 1.00 0.00 H new ATOM 0 HG3 PRO C 25 98.525 10.223 5.739 1.00 0.00 H new ATOM 0 HD2 PRO C 25 97.228 7.925 6.568 1.00 0.00 H new ATOM 0 HD3 PRO C 25 96.664 9.523 7.017 1.00 0.00 H new ATOM 981 N LEU C 26 95.914 6.957 3.297 1.00 0.00 N ATOM 982 CA LEU C 26 96.125 5.832 2.394 1.00 0.00 C ATOM 983 C LEU C 26 95.070 5.819 1.290 1.00 0.00 C ATOM 984 O LEU C 26 95.384 5.602 0.120 1.00 0.00 O ATOM 985 CB LEU C 26 96.073 4.519 3.188 1.00 0.00 C ATOM 986 CG LEU C 26 96.205 3.308 2.250 1.00 0.00 C ATOM 987 CD1 LEU C 26 97.483 3.425 1.404 1.00 0.00 C ATOM 988 CD2 LEU C 26 96.265 2.027 3.092 1.00 0.00 C ATOM 0 H LEU C 26 95.588 6.699 4.228 1.00 0.00 H new ATOM 0 HA LEU C 26 97.105 5.936 1.928 1.00 0.00 H new ATOM 0 HB2 LEU C 26 96.876 4.503 3.925 1.00 0.00 H new ATOM 0 HB3 LEU C 26 95.134 4.458 3.738 1.00 0.00 H new ATOM 0 HG LEU C 26 95.344 3.276 1.582 1.00 0.00 H new ATOM 0 HD11 LEU C 26 97.563 2.561 0.745 1.00 0.00 H new ATOM 0 HD12 LEU C 26 97.441 4.335 0.806 1.00 0.00 H new ATOM 0 HD13 LEU C 26 98.352 3.462 2.061 1.00 0.00 H new ATOM 0 HD21 LEU C 26 96.359 1.163 2.434 1.00 0.00 H new ATOM 0 HD22 LEU C 26 97.126 2.070 3.759 1.00 0.00 H new ATOM 0 HD23 LEU C 26 95.353 1.936 3.682 1.00 0.00 H new ATOM 1000 N VAL C 27 93.841 6.050 1.666 1.00 0.00 N ATOM 1001 CA VAL C 27 92.743 6.065 0.703 1.00 0.00 C ATOM 1002 C VAL C 27 92.830 7.290 -0.204 1.00 0.00 C ATOM 1003 O VAL C 27 92.590 7.202 -1.408 1.00 0.00 O ATOM 1004 CB VAL C 27 91.404 6.073 1.445 1.00 0.00 C ATOM 1005 CG1 VAL C 27 90.256 6.043 0.433 1.00 0.00 C ATOM 1006 CG2 VAL C 27 91.318 4.845 2.357 1.00 0.00 C ATOM 0 H VAL C 27 93.562 6.232 2.630 1.00 0.00 H new ATOM 0 HA VAL C 27 92.817 5.170 0.086 1.00 0.00 H new ATOM 0 HB VAL C 27 91.329 6.978 2.048 1.00 0.00 H new ATOM 0 HG11 VAL C 27 89.304 6.049 0.963 1.00 0.00 H new ATOM 0 HG12 VAL C 27 90.317 6.919 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL C 27 90.329 5.140 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL C 27 90.365 4.850 2.886 1.00 0.00 H new ATOM 0 HG22 VAL C 27 91.394 3.939 1.756 1.00 0.00 H new ATOM 0 HG23 VAL C 27 92.134 4.871 3.080 1.00 0.00 H new ATOM 1016 N VAL C 28 93.165 8.410 0.376 1.00 0.00 N ATOM 1017 CA VAL C 28 93.278 9.652 -0.383 1.00 0.00 C ATOM 1018 C VAL C 28 94.449 9.581 -1.359 1.00 0.00 C ATOM 1019 O VAL C 28 94.316 9.928 -2.533 1.00 0.00 O ATOM 1020 CB VAL C 28 93.480 10.828 0.574 1.00 0.00 C ATOM 1021 CG1 VAL C 28 93.668 12.116 -0.227 1.00 0.00 C ATOM 1022 CG2 VAL C 28 92.252 10.963 1.477 1.00 0.00 C ATOM 0 H VAL C 28 93.367 8.501 1.372 1.00 0.00 H new ATOM 0 HA VAL C 28 92.358 9.796 -0.949 1.00 0.00 H new ATOM 0 HB VAL C 28 94.365 10.651 1.185 1.00 0.00 H new ATOM 0 HG11 VAL C 28 93.812 12.952 0.457 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.542 12.020 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL C 28 92.784 12.296 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL C 28 92.393 11.800 2.160 1.00 0.00 H new ATOM 0 HG22 VAL C 28 91.368 11.139 0.865 1.00 0.00 H new ATOM 0 HG23 VAL C 28 92.119 10.045 2.050 1.00 0.00 H new ATOM 1032 N ALA C 29 95.574 9.149 -0.867 1.00 0.00 N ATOM 1033 CA ALA C 29 96.772 9.047 -1.693 1.00 0.00 C ATOM 1034 C ALA C 29 96.476 8.310 -2.996 1.00 0.00 C ATOM 1035 O ALA C 29 97.012 8.655 -4.044 1.00 0.00 O ATOM 1036 CB ALA C 29 97.872 8.310 -0.926 1.00 0.00 C ATOM 0 H ALA C 29 95.701 8.858 0.102 1.00 0.00 H new ATOM 0 HA ALA C 29 97.106 10.056 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.764 8.237 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA C 29 98.110 8.858 -0.014 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.527 7.309 -0.668 1.00 0.00 H new ATOM 1042 N ALA C 30 95.638 7.314 -2.924 1.00 0.00 N ATOM 1043 CA ALA C 30 95.284 6.537 -4.108 1.00 0.00 C ATOM 1044 C ALA C 30 94.535 7.397 -5.126 1.00 0.00 C ATOM 1045 O ALA C 30 94.602 7.151 -6.331 1.00 0.00 O ATOM 1046 CB ALA C 30 94.412 5.346 -3.707 1.00 0.00 C ATOM 0 H ALA C 30 95.180 7.011 -2.064 1.00 0.00 H new ATOM 0 HA ALA C 30 96.206 6.180 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA C 30 94.151 4.770 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.961 4.711 -3.011 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.502 5.707 -3.228 1.00 0.00 H new ATOM 1052 N SER C 31 93.824 8.376 -4.640 1.00 0.00 N ATOM 1053 CA SER C 31 93.049 9.259 -5.507 1.00 0.00 C ATOM 1054 C SER C 31 93.910 9.848 -6.626 1.00 0.00 C ATOM 1055 O SER C 31 93.482 9.914 -7.778 1.00 0.00 O ATOM 1056 CB SER C 31 92.443 10.394 -4.680 1.00 0.00 C ATOM 1057 OG SER C 31 91.383 10.995 -5.413 1.00 0.00 O ATOM 0 H SER C 31 93.757 8.594 -3.646 1.00 0.00 H new ATOM 0 HA SER C 31 92.257 8.666 -5.965 1.00 0.00 H new ATOM 0 HB2 SER C 31 92.071 10.009 -3.730 1.00 0.00 H new ATOM 0 HB3 SER C 31 93.206 11.137 -4.446 1.00 0.00 H new ATOM 0 HG SER C 31 90.991 11.722 -4.885 1.00 0.00 H new ATOM 1063 N ILE C 32 95.094 10.280 -6.288 1.00 0.00 N ATOM 1064 CA ILE C 32 95.993 10.876 -7.276 1.00 0.00 C ATOM 1065 C ILE C 32 96.126 9.988 -8.514 1.00 0.00 C ATOM 1066 O ILE C 32 96.375 10.477 -9.615 1.00 0.00 O ATOM 1067 CB ILE C 32 97.381 11.110 -6.651 1.00 0.00 C ATOM 1068 CG1 ILE C 32 98.185 12.092 -7.525 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.146 9.777 -6.550 1.00 0.00 C ATOM 1070 CD1 ILE C 32 97.574 13.503 -7.474 1.00 0.00 C ATOM 0 H ILE C 32 95.471 10.237 -5.341 1.00 0.00 H new ATOM 0 HA ILE C 32 95.567 11.830 -7.586 1.00 0.00 H new ATOM 0 HB ILE C 32 97.252 11.528 -5.653 1.00 0.00 H new ATOM 0 HG12 ILE C 32 99.219 12.127 -7.182 1.00 0.00 H new ATOM 0 HG13 ILE C 32 98.203 11.737 -8.555 1.00 0.00 H new ATOM 0 HG21 ILE C 32 99.126 9.953 -6.107 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.585 9.082 -5.926 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.269 9.352 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE C 32 98.160 14.176 -8.099 1.00 0.00 H new ATOM 0 HD12 ILE C 32 96.548 13.469 -7.841 1.00 0.00 H new ATOM 0 HD13 ILE C 32 97.580 13.865 -6.446 1.00 0.00 H new ATOM 1082 N ILE C 33 95.978 8.706 -8.326 1.00 0.00 N ATOM 1083 CA ILE C 33 96.103 7.757 -9.429 1.00 0.00 C ATOM 1084 C ILE C 33 94.926 7.881 -10.399 1.00 0.00 C ATOM 1085 O ILE C 33 95.080 7.645 -11.597 1.00 0.00 O ATOM 1086 CB ILE C 33 96.197 6.317 -8.885 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.371 6.231 -7.882 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.432 5.334 -10.050 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.753 4.769 -7.619 1.00 0.00 C ATOM 0 H ILE C 33 95.770 8.281 -7.422 1.00 0.00 H new ATOM 0 HA ILE C 33 97.017 7.991 -9.975 1.00 0.00 H new ATOM 0 HB ILE C 33 95.266 6.054 -8.382 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.232 6.772 -8.275 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.092 6.713 -6.945 1.00 0.00 H new ATOM 0 HG21 ILE C 33 96.498 4.318 -9.661 1.00 0.00 H new ATOM 0 HG22 ILE C 33 95.603 5.400 -10.755 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.362 5.589 -10.559 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.581 4.731 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE C 33 96.896 4.238 -7.204 1.00 0.00 H new ATOM 0 HD13 ILE C 33 98.054 4.298 -8.555 1.00 0.00 H new ATOM 1101 N GLY C 34 93.776 8.230 -9.895 1.00 0.00 N ATOM 1102 CA GLY C 34 92.596 8.356 -10.748 1.00 0.00 C ATOM 1103 C GLY C 34 92.713 9.538 -11.703 1.00 0.00 C ATOM 1104 O GLY C 34 92.500 9.399 -12.906 1.00 0.00 O ATOM 0 H GLY C 34 93.616 8.434 -8.908 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.461 7.438 -11.320 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.709 8.477 -10.126 1.00 0.00 H new ATOM 1108 N ILE C 35 93.045 10.680 -11.176 1.00 0.00 N ATOM 1109 CA ILE C 35 93.184 11.873 -12.001 1.00 0.00 C ATOM 1110 C ILE C 35 94.411 11.753 -12.903 1.00 0.00 C ATOM 1111 O ILE C 35 94.452 12.325 -13.993 1.00 0.00 O ATOM 1112 CB ILE C 35 93.305 13.107 -11.097 1.00 0.00 C ATOM 1113 CG1 ILE C 35 93.574 14.367 -11.938 1.00 0.00 C ATOM 1114 CG2 ILE C 35 94.455 12.901 -10.112 1.00 0.00 C ATOM 1115 CD1 ILE C 35 92.486 14.534 -13.005 1.00 0.00 C ATOM 0 H ILE C 35 93.227 10.824 -10.183 1.00 0.00 H new ATOM 0 HA ILE C 35 92.303 11.977 -12.634 1.00 0.00 H new ATOM 0 HB ILE C 35 92.369 13.239 -10.555 1.00 0.00 H new ATOM 0 HG12 ILE C 35 93.599 15.245 -11.293 1.00 0.00 H new ATOM 0 HG13 ILE C 35 94.552 14.294 -12.414 1.00 0.00 H new ATOM 0 HG21 ILE C 35 94.544 13.776 -9.468 1.00 0.00 H new ATOM 0 HG22 ILE C 35 94.258 12.020 -9.502 1.00 0.00 H new ATOM 0 HG23 ILE C 35 95.385 12.760 -10.663 1.00 0.00 H new ATOM 0 HD11 ILE C 35 92.688 15.429 -13.593 1.00 0.00 H new ATOM 0 HD12 ILE C 35 92.482 13.663 -13.660 1.00 0.00 H new ATOM 0 HD13 ILE C 35 91.514 14.629 -12.521 1.00 0.00 H new ATOM 1127 N LEU C 36 95.395 11.033 -12.439 1.00 0.00 N ATOM 1128 CA LEU C 36 96.630 10.856 -13.198 1.00 0.00 C ATOM 1129 C LEU C 36 96.377 10.171 -14.543 1.00 0.00 C ATOM 1130 O LEU C 36 96.872 10.626 -15.574 1.00 0.00 O ATOM 1131 CB LEU C 36 97.630 10.030 -12.374 1.00 0.00 C ATOM 1132 CG LEU C 36 98.952 9.819 -13.166 1.00 0.00 C ATOM 1133 CD1 LEU C 36 100.158 9.956 -12.228 1.00 0.00 C ATOM 1134 CD2 LEU C 36 98.981 8.416 -13.797 1.00 0.00 C ATOM 0 H LEU C 36 95.378 10.553 -11.539 1.00 0.00 H new ATOM 0 HA LEU C 36 97.042 11.844 -13.401 1.00 0.00 H new ATOM 0 HB2 LEU C 36 97.841 10.538 -11.433 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.192 9.064 -12.123 1.00 0.00 H new ATOM 0 HG LEU C 36 99.001 10.576 -13.949 1.00 0.00 H new ATOM 0 HD11 LEU C 36 101.078 9.806 -12.794 1.00 0.00 H new ATOM 0 HD12 LEU C 36 100.163 10.952 -11.784 1.00 0.00 H new ATOM 0 HD13 LEU C 36 100.092 9.207 -11.438 1.00 0.00 H new ATOM 0 HD21 LEU C 36 99.912 8.284 -14.348 1.00 0.00 H new ATOM 0 HD22 LEU C 36 98.914 7.663 -13.012 1.00 0.00 H new ATOM 0 HD23 LEU C 36 98.138 8.306 -14.479 1.00 0.00 H new ATOM 1146 N HIS C 37 95.650 9.085 -14.532 1.00 0.00 N ATOM 1147 CA HIS C 37 95.388 8.351 -15.769 1.00 0.00 C ATOM 1148 C HIS C 37 94.757 9.242 -16.839 1.00 0.00 C ATOM 1149 O HIS C 37 94.935 9.003 -18.034 1.00 0.00 O ATOM 1150 CB HIS C 37 94.498 7.127 -15.501 1.00 0.00 C ATOM 1151 CG HIS C 37 93.087 7.543 -15.169 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.384 8.476 -15.917 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.230 7.141 -14.174 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.163 8.603 -15.364 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.017 7.812 -14.299 1.00 0.00 N ATOM 0 H HIS C 37 95.227 8.682 -13.696 1.00 0.00 H new ATOM 0 HA HIS C 37 96.351 8.009 -16.149 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.493 6.479 -16.377 1.00 0.00 H new ATOM 0 HB3 HIS C 37 94.912 6.546 -14.677 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.462 6.414 -13.410 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.395 9.265 -15.737 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.193 7.719 -13.704 1.00 0.00 H new ATOM 1164 N PHE C 38 94.025 10.238 -16.424 1.00 0.00 N ATOM 1165 CA PHE C 38 93.369 11.136 -17.374 1.00 0.00 C ATOM 1166 C PHE C 38 94.385 11.817 -18.289 1.00 0.00 C ATOM 1167 O PHE C 38 94.156 11.946 -19.492 1.00 0.00 O ATOM 1168 CB PHE C 38 92.567 12.202 -16.625 1.00 0.00 C ATOM 1169 CG PHE C 38 91.774 13.019 -17.619 1.00 0.00 C ATOM 1170 CD1 PHE C 38 90.502 12.592 -18.017 1.00 0.00 C ATOM 1171 CD2 PHE C 38 92.313 14.201 -18.143 1.00 0.00 C ATOM 1172 CE1 PHE C 38 89.768 13.347 -18.940 1.00 0.00 C ATOM 1173 CE2 PHE C 38 91.578 14.956 -19.065 1.00 0.00 C ATOM 1174 CZ PHE C 38 90.306 14.529 -19.463 1.00 0.00 C ATOM 0 H PHE C 38 93.859 10.460 -15.442 1.00 0.00 H new ATOM 0 HA PHE C 38 92.699 10.535 -17.988 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.896 11.731 -15.906 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.238 12.848 -16.059 1.00 0.00 H new ATOM 0 HD1 PHE C 38 90.087 11.681 -17.612 1.00 0.00 H new ATOM 0 HD2 PHE C 38 93.295 14.530 -17.836 1.00 0.00 H new ATOM 0 HE1 PHE C 38 88.787 13.018 -19.248 1.00 0.00 H new ATOM 0 HE2 PHE C 38 91.993 15.868 -19.469 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.739 15.112 -20.174 1.00 0.00 H new ATOM 1184 N ILE C 39 95.477 12.256 -17.728 1.00 0.00 N ATOM 1185 CA ILE C 39 96.501 12.935 -18.516 1.00 0.00 C ATOM 1186 C ILE C 39 97.002 12.029 -19.641 1.00 0.00 C ATOM 1187 O ILE C 39 97.108 12.457 -20.789 1.00 0.00 O ATOM 1188 CB ILE C 39 97.683 13.353 -17.619 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.237 14.442 -16.596 1.00 0.00 C ATOM 1190 CG2 ILE C 39 98.811 13.907 -18.504 1.00 0.00 C ATOM 1191 CD1 ILE C 39 96.940 13.806 -15.232 1.00 0.00 C ATOM 0 H ILE C 39 95.692 12.163 -16.735 1.00 0.00 H new ATOM 0 HA ILE C 39 96.055 13.828 -18.954 1.00 0.00 H new ATOM 0 HB ILE C 39 98.035 12.483 -17.065 1.00 0.00 H new ATOM 0 HG12 ILE C 39 98.020 15.193 -16.491 1.00 0.00 H new ATOM 0 HG13 ILE C 39 96.349 14.955 -16.966 1.00 0.00 H new ATOM 0 HG21 ILE C 39 99.652 14.205 -17.878 1.00 0.00 H new ATOM 0 HG22 ILE C 39 99.135 13.137 -19.204 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.447 14.772 -19.059 1.00 0.00 H new ATOM 0 HD11 ILE C 39 96.630 14.580 -14.530 1.00 0.00 H new ATOM 0 HD12 ILE C 39 96.141 13.072 -15.339 1.00 0.00 H new ATOM 0 HD13 ILE C 39 97.837 13.314 -14.857 1.00 0.00 H new ATOM 1203 N ALA C 40 97.310 10.804 -19.313 1.00 0.00 N ATOM 1204 CA ALA C 40 97.804 9.863 -20.312 1.00 0.00 C ATOM 1205 C ALA C 40 96.701 9.493 -21.303 1.00 0.00 C ATOM 1206 O ALA C 40 96.958 9.313 -22.493 1.00 0.00 O ATOM 1207 CB ALA C 40 98.325 8.603 -19.621 1.00 0.00 C ATOM 0 H ALA C 40 97.232 10.424 -18.370 1.00 0.00 H new ATOM 0 HA ALA C 40 98.616 10.338 -20.863 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.693 7.903 -20.371 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.136 8.869 -18.943 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.518 8.138 -19.055 1.00 0.00 H new ATOM 1213 N TRP C 41 95.499 9.376 -20.809 1.00 0.00 N ATOM 1214 CA TRP C 41 94.364 9.017 -21.655 1.00 0.00 C ATOM 1215 C TRP C 41 94.330 9.890 -22.907 1.00 0.00 C ATOM 1216 O TRP C 41 93.877 9.457 -23.966 1.00 0.00 O ATOM 1217 CB TRP C 41 93.058 9.197 -20.872 1.00 0.00 C ATOM 1218 CG TRP C 41 91.937 8.503 -21.580 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.377 8.911 -22.744 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.222 7.297 -21.185 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.373 8.025 -23.091 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.239 7.014 -22.162 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.335 6.425 -20.087 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.396 5.908 -22.051 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.485 5.313 -19.972 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.518 5.055 -20.954 1.00 0.00 C ATOM 0 H TRP C 41 95.267 9.521 -19.826 1.00 0.00 H new ATOM 0 HA TRP C 41 94.472 7.975 -21.956 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.169 8.793 -19.866 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.831 10.258 -20.766 1.00 0.00 H new ATOM 0 HD1 TRP C 41 91.667 9.785 -23.309 1.00 0.00 H new ATOM 0 HE1 TRP C 41 89.801 8.109 -23.932 1.00 0.00 H new ATOM 0 HE3 TRP C 41 92.080 6.612 -19.328 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.653 5.713 -22.810 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.577 4.653 -19.122 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.869 4.197 -20.861 1.00 0.00 H new ATOM 1237 N THR C 42 94.817 11.092 -22.782 1.00 0.00 N ATOM 1238 CA THR C 42 94.845 12.011 -23.915 1.00 0.00 C ATOM 1239 C THR C 42 95.614 11.392 -25.078 1.00 0.00 C ATOM 1240 O THR C 42 95.253 11.569 -26.241 1.00 0.00 O ATOM 1241 CB THR C 42 95.505 13.330 -23.504 1.00 0.00 C ATOM 1242 OG1 THR C 42 96.832 13.076 -23.059 1.00 0.00 O ATOM 1243 CG2 THR C 42 94.702 13.976 -22.376 1.00 0.00 C ATOM 0 H THR C 42 95.202 11.470 -21.916 1.00 0.00 H new ATOM 0 HA THR C 42 93.820 12.206 -24.231 1.00 0.00 H new ATOM 0 HB THR C 42 95.531 14.005 -24.360 1.00 0.00 H new ATOM 0 HG1 THR C 42 96.805 12.552 -22.231 1.00 0.00 H new ATOM 0 HG21 THR C 42 95.174 14.915 -22.085 1.00 0.00 H new ATOM 0 HG22 THR C 42 93.686 14.171 -22.718 1.00 0.00 H new ATOM 0 HG23 THR C 42 94.673 13.304 -21.519 1.00 0.00 H new ATOM 1251 N ILE C 43 96.659 10.682 -24.755 1.00 0.00 N ATOM 1252 CA ILE C 43 97.483 10.038 -25.773 1.00 0.00 C ATOM 1253 C ILE C 43 96.679 8.992 -26.544 1.00 0.00 C ATOM 1254 O ILE C 43 96.686 8.973 -27.774 1.00 0.00 O ATOM 1255 CB ILE C 43 98.690 9.373 -25.107 1.00 0.00 C ATOM 1256 CG1 ILE C 43 99.480 10.426 -24.325 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.593 8.749 -26.174 1.00 0.00 C ATOM 1258 CD1 ILE C 43 100.560 9.738 -23.487 1.00 0.00 C ATOM 0 H ILE C 43 96.971 10.527 -23.796 1.00 0.00 H new ATOM 0 HA ILE C 43 97.822 10.798 -26.477 1.00 0.00 H new ATOM 0 HB ILE C 43 98.344 8.593 -24.429 1.00 0.00 H new ATOM 0 HG12 ILE C 43 99.937 11.138 -25.013 1.00 0.00 H new ATOM 0 HG13 ILE C 43 98.810 10.993 -23.679 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.451 8.277 -25.694 1.00 0.00 H new ATOM 0 HG22 ILE C 43 99.032 8.000 -26.733 1.00 0.00 H new ATOM 0 HG23 ILE C 43 99.940 9.525 -26.856 1.00 0.00 H new ATOM 0 HD11 ILE C 43 101.122 10.488 -22.931 1.00 0.00 H new ATOM 0 HD12 ILE C 43 100.092 9.044 -22.789 1.00 0.00 H new ATOM 0 HD13 ILE C 43 101.237 9.191 -24.144 1.00 0.00 H new ATOM 1270 N GLY C 44 96.017 8.126 -25.827 1.00 0.00 N ATOM 1271 CA GLY C 44 95.235 7.058 -26.446 1.00 0.00 C ATOM 1272 C GLY C 44 94.335 7.580 -27.563 1.00 0.00 C ATOM 1273 O GLY C 44 94.022 6.851 -28.504 1.00 0.00 O ATOM 0 H GLY C 44 95.995 8.128 -24.807 1.00 0.00 H new ATOM 0 HA2 GLY C 44 95.909 6.302 -26.848 1.00 0.00 H new ATOM 0 HA3 GLY C 44 94.624 6.570 -25.687 1.00 0.00 H new ATOM 1277 N HIS C 45 93.922 8.810 -27.459 1.00 0.00 N ATOM 1278 CA HIS C 45 93.052 9.400 -28.471 1.00 0.00 C ATOM 1279 C HIS C 45 93.596 9.160 -29.882 1.00 0.00 C ATOM 1280 O HIS C 45 92.835 9.138 -30.849 1.00 0.00 O ATOM 1281 CB HIS C 45 92.906 10.900 -28.227 1.00 0.00 C ATOM 1282 CG HIS C 45 91.823 11.444 -29.118 1.00 0.00 C ATOM 1283 ND1 HIS C 45 92.001 12.583 -29.887 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.544 11.010 -29.378 1.00 0.00 C ATOM 1285 CE1 HIS C 45 90.859 12.795 -30.566 1.00 0.00 C ATOM 1286 NE2 HIS C 45 89.939 11.866 -30.294 1.00 0.00 N ATOM 0 H HIS C 45 94.166 9.434 -26.690 1.00 0.00 H new ATOM 0 HA HIS C 45 92.077 8.920 -28.393 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.662 11.088 -27.182 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.849 11.407 -28.430 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.080 10.139 -28.939 1.00 0.00 H new ATOM 0 HE1 HIS C 45 90.705 13.617 -31.249 1.00 0.00 H new ATOM 0 HE2 HIS C 45 88.995 11.798 -30.676 1.00 0.00 H new ATOM 1295 N LEU C 46 94.890 9.025 -29.997 1.00 0.00 N ATOM 1296 CA LEU C 46 95.511 8.837 -31.308 1.00 0.00 C ATOM 1297 C LEU C 46 94.753 7.792 -32.126 1.00 0.00 C ATOM 1298 O LEU C 46 94.504 7.992 -33.315 1.00 0.00 O ATOM 1299 CB LEU C 46 96.987 8.414 -31.145 1.00 0.00 C ATOM 1300 CG LEU C 46 97.098 7.011 -30.475 1.00 0.00 C ATOM 1301 CD1 LEU C 46 97.230 5.903 -31.546 1.00 0.00 C ATOM 1302 CD2 LEU C 46 98.334 6.949 -29.552 1.00 0.00 C ATOM 0 H LEU C 46 95.542 9.040 -29.213 1.00 0.00 H new ATOM 0 HA LEU C 46 95.470 9.786 -31.842 1.00 0.00 H new ATOM 0 HB2 LEU C 46 97.473 8.394 -32.121 1.00 0.00 H new ATOM 0 HB3 LEU C 46 97.515 9.152 -30.541 1.00 0.00 H new ATOM 0 HG LEU C 46 96.191 6.851 -29.891 1.00 0.00 H new ATOM 0 HD11 LEU C 46 97.306 4.932 -31.057 1.00 0.00 H new ATOM 0 HD12 LEU C 46 96.353 5.916 -32.193 1.00 0.00 H new ATOM 0 HD13 LEU C 46 98.124 6.079 -32.144 1.00 0.00 H new ATOM 0 HD21 LEU C 46 98.396 5.962 -29.093 1.00 0.00 H new ATOM 0 HD22 LEU C 46 99.235 7.134 -30.137 1.00 0.00 H new ATOM 0 HD23 LEU C 46 98.245 7.707 -28.774 1.00 0.00 H new ATOM 1427 N ASP D 24 87.098 -1.786 8.092 1.00 0.00 N ATOM 1428 CA ASP D 24 87.545 -2.990 7.401 1.00 0.00 C ATOM 1429 C ASP D 24 88.492 -2.619 6.254 1.00 0.00 C ATOM 1430 O ASP D 24 88.381 -1.533 5.684 1.00 0.00 O ATOM 1431 CB ASP D 24 86.329 -3.745 6.848 1.00 0.00 C ATOM 1432 CG ASP D 24 85.624 -4.501 7.970 1.00 0.00 C ATOM 1433 OD1 ASP D 24 84.760 -3.914 8.600 1.00 0.00 O ATOM 1434 OD2 ASP D 24 85.958 -5.654 8.183 1.00 0.00 O ATOM 0 HA ASP D 24 88.079 -3.628 8.105 1.00 0.00 H new ATOM 0 HB2 ASP D 24 85.637 -3.043 6.382 1.00 0.00 H new ATOM 0 HB3 ASP D 24 86.646 -4.443 6.073 1.00 0.00 H new ATOM 1439 N PRO D 25 89.415 -3.487 5.901 1.00 0.00 N ATOM 1440 CA PRO D 25 90.382 -3.216 4.794 1.00 0.00 C ATOM 1441 C PRO D 25 89.708 -3.278 3.422 1.00 0.00 C ATOM 1442 O PRO D 25 90.350 -3.576 2.415 1.00 0.00 O ATOM 1443 CB PRO D 25 91.428 -4.329 4.954 1.00 0.00 C ATOM 1444 CG PRO D 25 90.681 -5.459 5.585 1.00 0.00 C ATOM 1445 CD PRO D 25 89.644 -4.814 6.507 1.00 0.00 C ATOM 0 HA PRO D 25 90.811 -2.216 4.849 1.00 0.00 H new ATOM 0 HB2 PRO D 25 91.848 -4.620 3.991 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.260 -4.005 5.580 1.00 0.00 H new ATOM 0 HG2 PRO D 25 90.199 -6.079 4.829 1.00 0.00 H new ATOM 0 HG3 PRO D 25 91.354 -6.107 6.147 1.00 0.00 H new ATOM 0 HD2 PRO D 25 88.725 -5.399 6.548 1.00 0.00 H new ATOM 0 HD3 PRO D 25 90.014 -4.729 7.529 1.00 0.00 H new ATOM 1453 N LEU D 26 88.433 -3.001 3.396 1.00 0.00 N ATOM 1454 CA LEU D 26 87.677 -3.030 2.149 1.00 0.00 C ATOM 1455 C LEU D 26 88.087 -1.868 1.245 1.00 0.00 C ATOM 1456 O LEU D 26 88.290 -2.046 0.043 1.00 0.00 O ATOM 1457 CB LEU D 26 86.175 -2.955 2.454 1.00 0.00 C ATOM 1458 CG LEU D 26 85.356 -2.914 1.153 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.693 -4.127 0.272 1.00 0.00 C ATOM 1460 CD2 LEU D 26 83.865 -2.934 1.506 1.00 0.00 C ATOM 0 H LEU D 26 87.885 -2.751 4.219 1.00 0.00 H new ATOM 0 HA LEU D 26 87.893 -3.963 1.629 1.00 0.00 H new ATOM 0 HB2 LEU D 26 85.877 -3.817 3.050 1.00 0.00 H new ATOM 0 HB3 LEU D 26 85.964 -2.067 3.050 1.00 0.00 H new ATOM 0 HG LEU D 26 85.598 -2.005 0.602 1.00 0.00 H new ATOM 0 HD11 LEU D 26 85.106 -4.085 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.754 -4.113 0.024 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.458 -5.045 0.811 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.274 -2.905 0.591 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.634 -3.845 2.059 1.00 0.00 H new ATOM 0 HD23 LEU D 26 83.625 -2.066 2.120 1.00 0.00 H new ATOM 1472 N VAL D 27 88.201 -0.702 1.820 1.00 0.00 N ATOM 1473 CA VAL D 27 88.584 0.487 1.063 1.00 0.00 C ATOM 1474 C VAL D 27 90.047 0.414 0.633 1.00 0.00 C ATOM 1475 O VAL D 27 90.407 0.847 -0.461 1.00 0.00 O ATOM 1476 CB VAL D 27 88.363 1.737 1.915 1.00 0.00 C ATOM 1477 CG1 VAL D 27 88.670 2.984 1.084 1.00 0.00 C ATOM 1478 CG2 VAL D 27 86.909 1.784 2.384 1.00 0.00 C ATOM 0 H VAL D 27 88.036 -0.536 2.813 1.00 0.00 H new ATOM 0 HA VAL D 27 87.963 0.537 0.169 1.00 0.00 H new ATOM 0 HB VAL D 27 89.024 1.706 2.781 1.00 0.00 H new ATOM 0 HG11 VAL D 27 88.512 3.875 1.692 1.00 0.00 H new ATOM 0 HG12 VAL D 27 89.707 2.952 0.750 1.00 0.00 H new ATOM 0 HG13 VAL D 27 88.010 3.015 0.217 1.00 0.00 H new ATOM 0 HG21 VAL D 27 86.751 2.675 2.991 1.00 0.00 H new ATOM 0 HG22 VAL D 27 86.248 1.814 1.518 1.00 0.00 H new ATOM 0 HG23 VAL D 27 86.689 0.897 2.978 1.00 0.00 H new ATOM 1488 N VAL D 28 90.869 -0.128 1.489 1.00 0.00 N ATOM 1489 CA VAL D 28 92.292 -0.256 1.192 1.00 0.00 C ATOM 1490 C VAL D 28 92.512 -1.260 0.065 1.00 0.00 C ATOM 1491 O VAL D 28 93.268 -1.006 -0.871 1.00 0.00 O ATOM 1492 CB VAL D 28 93.051 -0.708 2.442 1.00 0.00 C ATOM 1493 CG1 VAL D 28 94.537 -0.865 2.109 1.00 0.00 C ATOM 1494 CG2 VAL D 28 92.880 0.339 3.548 1.00 0.00 C ATOM 0 H VAL D 28 90.590 -0.492 2.400 1.00 0.00 H new ATOM 0 HA VAL D 28 92.668 0.717 0.876 1.00 0.00 H new ATOM 0 HB VAL D 28 92.654 -1.664 2.783 1.00 0.00 H new ATOM 0 HG11 VAL D 28 95.077 -1.187 2.999 1.00 0.00 H new ATOM 0 HG12 VAL D 28 94.657 -1.610 1.323 1.00 0.00 H new ATOM 0 HG13 VAL D 28 94.936 0.090 1.768 1.00 0.00 H new ATOM 0 HG21 VAL D 28 93.420 0.019 4.439 1.00 0.00 H new ATOM 0 HG22 VAL D 28 93.276 1.296 3.208 1.00 0.00 H new ATOM 0 HG23 VAL D 28 91.822 0.448 3.785 1.00 0.00 H new ATOM 1504 N ALA D 29 91.865 -2.386 0.171 1.00 0.00 N ATOM 1505 CA ALA D 29 92.004 -3.431 -0.836 1.00 0.00 C ATOM 1506 C ALA D 29 91.835 -2.848 -2.237 1.00 0.00 C ATOM 1507 O ALA D 29 92.480 -3.295 -3.186 1.00 0.00 O ATOM 1508 CB ALA D 29 90.954 -4.521 -0.606 1.00 0.00 C ATOM 0 H ALA D 29 91.234 -2.615 0.939 1.00 0.00 H new ATOM 0 HA ALA D 29 93.001 -3.863 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA D 29 91.064 -5.298 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA D 29 91.092 -4.956 0.384 1.00 0.00 H new ATOM 0 HB3 ALA D 29 89.957 -4.086 -0.675 1.00 0.00 H new ATOM 1514 N ALA D 30 90.984 -1.867 -2.354 1.00 0.00 N ATOM 1515 CA ALA D 30 90.741 -1.226 -3.644 1.00 0.00 C ATOM 1516 C ALA D 30 91.978 -0.466 -4.122 1.00 0.00 C ATOM 1517 O ALA D 30 92.198 -0.318 -5.323 1.00 0.00 O ATOM 1518 CB ALA D 30 89.562 -0.257 -3.526 1.00 0.00 C ATOM 0 H ALA D 30 90.441 -1.484 -1.580 1.00 0.00 H new ATOM 0 HA ALA D 30 90.510 -2.004 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.384 0.219 -4.490 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.670 -0.805 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA D 30 89.791 0.506 -2.782 1.00 0.00 H new ATOM 1524 N SER D 31 92.759 0.015 -3.194 1.00 0.00 N ATOM 1525 CA SER D 31 93.963 0.770 -3.535 1.00 0.00 C ATOM 1526 C SER D 31 94.916 -0.065 -4.389 1.00 0.00 C ATOM 1527 O SER D 31 95.476 0.428 -5.368 1.00 0.00 O ATOM 1528 CB SER D 31 94.679 1.215 -2.261 1.00 0.00 C ATOM 1529 OG SER D 31 95.807 2.007 -2.608 1.00 0.00 O ATOM 0 H SER D 31 92.595 -0.095 -2.193 1.00 0.00 H new ATOM 0 HA SER D 31 93.659 1.644 -4.111 1.00 0.00 H new ATOM 0 HB2 SER D 31 93.999 1.787 -1.629 1.00 0.00 H new ATOM 0 HB3 SER D 31 94.994 0.345 -1.685 1.00 0.00 H new ATOM 0 HG SER D 31 96.268 2.295 -1.792 1.00 0.00 H new ATOM 1535 N ILE D 32 95.098 -1.302 -4.018 1.00 0.00 N ATOM 1536 CA ILE D 32 95.995 -2.186 -4.757 1.00 0.00 C ATOM 1537 C ILE D 32 95.613 -2.214 -6.239 1.00 0.00 C ATOM 1538 O ILE D 32 96.465 -2.398 -7.106 1.00 0.00 O ATOM 1539 CB ILE D 32 95.938 -3.605 -4.171 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.609 -3.620 -2.790 1.00 0.00 C ATOM 1541 CG2 ILE D 32 96.678 -4.581 -5.093 1.00 0.00 C ATOM 1542 CD1 ILE D 32 95.791 -2.800 -1.784 1.00 0.00 C ATOM 0 H ILE D 32 94.644 -1.732 -3.212 1.00 0.00 H new ATOM 0 HA ILE D 32 97.013 -1.806 -4.666 1.00 0.00 H new ATOM 0 HB ILE D 32 94.895 -3.907 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE D 32 96.705 -4.647 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE D 32 97.617 -3.213 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE D 32 96.633 -5.585 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE D 32 96.208 -4.580 -6.077 1.00 0.00 H new ATOM 0 HG23 ILE D 32 97.719 -4.273 -5.188 1.00 0.00 H new ATOM 0 HD11 ILE D 32 96.282 -2.823 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE D 32 95.717 -1.769 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE D 32 94.791 -3.225 -1.695 1.00 0.00 H new ATOM 1554 N ILE D 33 94.352 -2.025 -6.511 1.00 0.00 N ATOM 1555 CA ILE D 33 93.874 -2.019 -7.889 1.00 0.00 C ATOM 1556 C ILE D 33 94.344 -0.751 -8.608 1.00 0.00 C ATOM 1557 O ILE D 33 94.542 -0.752 -9.822 1.00 0.00 O ATOM 1558 CB ILE D 33 92.336 -2.127 -7.920 1.00 0.00 C ATOM 1559 CG1 ILE D 33 91.899 -3.384 -7.130 1.00 0.00 C ATOM 1560 CG2 ILE D 33 91.852 -2.231 -9.380 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.467 -3.792 -7.500 1.00 0.00 C ATOM 0 H ILE D 33 93.629 -1.872 -5.808 1.00 0.00 H new ATOM 0 HA ILE D 33 94.289 -2.882 -8.410 1.00 0.00 H new ATOM 0 HB ILE D 33 91.897 -1.240 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE D 33 92.582 -4.207 -7.341 1.00 0.00 H new ATOM 0 HG13 ILE D 33 91.960 -3.186 -6.060 1.00 0.00 H new ATOM 0 HG21 ILE D 33 90.765 -2.307 -9.398 1.00 0.00 H new ATOM 0 HG22 ILE D 33 92.163 -1.343 -9.931 1.00 0.00 H new ATOM 0 HG23 ILE D 33 92.286 -3.116 -9.845 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.183 -4.678 -6.932 1.00 0.00 H new ATOM 0 HD12 ILE D 33 89.784 -2.976 -7.265 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.416 -4.013 -8.566 1.00 0.00 H new ATOM 1573 N GLY D 34 94.506 0.312 -7.864 1.00 0.00 N ATOM 1574 CA GLY D 34 94.938 1.585 -8.440 1.00 0.00 C ATOM 1575 C GLY D 34 96.353 1.509 -9.012 1.00 0.00 C ATOM 1576 O GLY D 34 96.613 2.012 -10.105 1.00 0.00 O ATOM 0 H GLY D 34 94.348 0.334 -6.856 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.245 1.879 -9.228 1.00 0.00 H new ATOM 0 HA3 GLY D 34 94.898 2.360 -7.675 1.00 0.00 H new ATOM 1580 N ILE D 35 97.249 0.896 -8.287 1.00 0.00 N ATOM 1581 CA ILE D 35 98.630 0.778 -8.750 1.00 0.00 C ATOM 1582 C ILE D 35 98.707 -0.127 -9.977 1.00 0.00 C ATOM 1583 O ILE D 35 99.486 0.121 -10.898 1.00 0.00 O ATOM 1584 CB ILE D 35 99.524 0.222 -7.635 1.00 0.00 C ATOM 1585 CG1 ILE D 35 98.858 -0.997 -6.996 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.742 1.298 -6.569 1.00 0.00 C ATOM 1587 CD1 ILE D 35 99.819 -1.632 -5.987 1.00 0.00 C ATOM 0 H ILE D 35 97.063 0.470 -7.379 1.00 0.00 H new ATOM 0 HA ILE D 35 98.984 1.772 -9.023 1.00 0.00 H new ATOM 0 HB ILE D 35 100.484 -0.072 -8.059 1.00 0.00 H new ATOM 0 HG12 ILE D 35 97.934 -0.701 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE D 35 98.588 -1.722 -7.764 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.377 0.902 -5.777 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.223 2.165 -7.021 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.781 1.594 -6.149 1.00 0.00 H new ATOM 0 HD11 ILE D 35 99.345 -2.501 -5.531 1.00 0.00 H new ATOM 0 HD12 ILE D 35 100.731 -1.942 -6.498 1.00 0.00 H new ATOM 0 HD13 ILE D 35 100.066 -0.905 -5.213 1.00 0.00 H new ATOM 1599 N LEU D 36 97.912 -1.159 -9.977 1.00 0.00 N ATOM 1600 CA LEU D 36 97.893 -2.103 -11.087 1.00 0.00 C ATOM 1601 C LEU D 36 97.766 -1.362 -12.417 1.00 0.00 C ATOM 1602 O LEU D 36 98.431 -1.701 -13.394 1.00 0.00 O ATOM 1603 CB LEU D 36 96.719 -3.079 -10.910 1.00 0.00 C ATOM 1604 CG LEU D 36 96.798 -4.241 -11.941 1.00 0.00 C ATOM 1605 CD1 LEU D 36 96.214 -5.519 -11.326 1.00 0.00 C ATOM 1606 CD2 LEU D 36 95.996 -3.903 -13.211 1.00 0.00 C ATOM 0 H LEU D 36 97.261 -1.379 -9.223 1.00 0.00 H new ATOM 0 HA LEU D 36 98.829 -2.662 -11.094 1.00 0.00 H new ATOM 0 HB2 LEU D 36 96.728 -3.485 -9.898 1.00 0.00 H new ATOM 0 HB3 LEU D 36 95.776 -2.545 -11.030 1.00 0.00 H new ATOM 0 HG LEU D 36 97.846 -4.388 -12.204 1.00 0.00 H new ATOM 0 HD11 LEU D 36 96.271 -6.331 -12.051 1.00 0.00 H new ATOM 0 HD12 LEU D 36 96.783 -5.787 -10.436 1.00 0.00 H new ATOM 0 HD13 LEU D 36 95.172 -5.349 -11.053 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.066 -4.731 -13.917 1.00 0.00 H new ATOM 0 HD22 LEU D 36 94.951 -3.738 -12.948 1.00 0.00 H new ATOM 0 HD23 LEU D 36 96.402 -3.001 -13.668 1.00 0.00 H new ATOM 1618 N HIS D 37 96.906 -0.385 -12.455 1.00 0.00 N ATOM 1619 CA HIS D 37 96.682 0.378 -13.680 1.00 0.00 C ATOM 1620 C HIS D 37 97.969 1.023 -14.194 1.00 0.00 C ATOM 1621 O HIS D 37 98.238 1.009 -15.395 1.00 0.00 O ATOM 1622 CB HIS D 37 95.648 1.475 -13.425 1.00 0.00 C ATOM 1623 CG HIS D 37 94.409 0.870 -12.831 1.00 0.00 C ATOM 1624 ND1 HIS D 37 93.468 1.631 -12.157 1.00 0.00 N ATOM 1625 CD2 HIS D 37 93.943 -0.420 -12.796 1.00 0.00 C ATOM 1626 CE1 HIS D 37 92.492 0.800 -11.748 1.00 0.00 C ATOM 1627 NE2 HIS D 37 92.735 -0.462 -12.111 1.00 0.00 N ATOM 0 H HIS D 37 96.341 -0.087 -11.659 1.00 0.00 H new ATOM 0 HA HIS D 37 96.321 -0.319 -14.436 1.00 0.00 H new ATOM 0 HB2 HIS D 37 96.058 2.226 -12.750 1.00 0.00 H new ATOM 0 HB3 HIS D 37 95.405 1.984 -14.358 1.00 0.00 H new ATOM 0 HD1 HIS D 37 93.508 2.638 -11.999 1.00 0.00 H new ATOM 0 HD2 HIS D 37 94.440 -1.273 -13.234 1.00 0.00 H new ATOM 0 HE1 HIS D 37 91.620 1.115 -11.194 1.00 0.00 H new ATOM 1636 N PHE D 38 98.729 1.606 -13.307 1.00 0.00 N ATOM 1637 CA PHE D 38 99.963 2.287 -13.696 1.00 0.00 C ATOM 1638 C PHE D 38 100.978 1.346 -14.341 1.00 0.00 C ATOM 1639 O PHE D 38 101.560 1.679 -15.372 1.00 0.00 O ATOM 1640 CB PHE D 38 100.597 2.945 -12.471 1.00 0.00 C ATOM 1641 CG PHE D 38 101.808 3.740 -12.897 1.00 0.00 C ATOM 1642 CD1 PHE D 38 101.652 5.043 -13.380 1.00 0.00 C ATOM 1643 CD2 PHE D 38 103.084 3.173 -12.810 1.00 0.00 C ATOM 1644 CE1 PHE D 38 102.773 5.782 -13.776 1.00 0.00 C ATOM 1645 CE2 PHE D 38 104.206 3.910 -13.206 1.00 0.00 C ATOM 1646 CZ PHE D 38 104.050 5.216 -13.689 1.00 0.00 C ATOM 0 H PHE D 38 98.527 1.631 -12.307 1.00 0.00 H new ATOM 0 HA PHE D 38 99.692 3.037 -14.439 1.00 0.00 H new ATOM 0 HB2 PHE D 38 99.875 3.597 -11.981 1.00 0.00 H new ATOM 0 HB3 PHE D 38 100.885 2.185 -11.745 1.00 0.00 H new ATOM 0 HD1 PHE D 38 100.666 5.479 -13.448 1.00 0.00 H new ATOM 0 HD2 PHE D 38 103.203 2.166 -12.437 1.00 0.00 H new ATOM 0 HE1 PHE D 38 102.652 6.789 -14.149 1.00 0.00 H new ATOM 0 HE2 PHE D 38 105.191 3.472 -13.139 1.00 0.00 H new ATOM 0 HZ PHE D 38 104.915 5.786 -13.994 1.00 0.00 H new ATOM 1656 N ILE D 39 101.209 0.210 -13.741 1.00 0.00 N ATOM 1657 CA ILE D 39 102.189 -0.725 -14.286 1.00 0.00 C ATOM 1658 C ILE D 39 101.766 -1.238 -15.662 1.00 0.00 C ATOM 1659 O ILE D 39 102.595 -1.353 -16.562 1.00 0.00 O ATOM 1660 CB ILE D 39 102.407 -1.904 -13.330 1.00 0.00 C ATOM 1661 CG1 ILE D 39 101.057 -2.468 -12.890 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.181 -1.430 -12.097 1.00 0.00 C ATOM 1663 CD1 ILE D 39 101.280 -3.689 -11.997 1.00 0.00 C ATOM 0 H ILE D 39 100.746 -0.099 -12.886 1.00 0.00 H new ATOM 0 HA ILE D 39 103.129 -0.184 -14.398 1.00 0.00 H new ATOM 0 HB ILE D 39 102.976 -2.679 -13.844 1.00 0.00 H new ATOM 0 HG12 ILE D 39 100.492 -1.708 -12.350 1.00 0.00 H new ATOM 0 HG13 ILE D 39 100.465 -2.746 -13.762 1.00 0.00 H new ATOM 0 HG21 ILE D 39 103.335 -2.270 -11.419 1.00 0.00 H new ATOM 0 HG22 ILE D 39 104.147 -1.031 -12.405 1.00 0.00 H new ATOM 0 HG23 ILE D 39 102.613 -0.652 -11.588 1.00 0.00 H new ATOM 0 HD11 ILE D 39 100.317 -4.091 -11.683 1.00 0.00 H new ATOM 0 HD12 ILE D 39 101.828 -4.451 -12.552 1.00 0.00 H new ATOM 0 HD13 ILE D 39 101.855 -3.397 -11.118 1.00 0.00 H new ATOM 1675 N ALA D 40 100.508 -1.545 -15.826 1.00 0.00 N ATOM 1676 CA ALA D 40 100.024 -2.045 -17.108 1.00 0.00 C ATOM 1677 C ALA D 40 100.036 -0.938 -18.162 1.00 0.00 C ATOM 1678 O ALA D 40 100.400 -1.170 -19.314 1.00 0.00 O ATOM 1679 CB ALA D 40 98.610 -2.604 -16.946 1.00 0.00 C ATOM 0 H ALA D 40 99.795 -1.463 -15.101 1.00 0.00 H new ATOM 0 HA ALA D 40 100.688 -2.841 -17.443 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.254 -2.976 -17.907 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.622 -3.419 -16.223 1.00 0.00 H new ATOM 0 HB3 ALA D 40 97.945 -1.816 -16.593 1.00 0.00 H new ATOM 1685 N TRP D 41 99.644 0.244 -17.765 1.00 0.00 N ATOM 1686 CA TRP D 41 99.614 1.382 -18.684 1.00 0.00 C ATOM 1687 C TRP D 41 100.944 1.497 -19.428 1.00 0.00 C ATOM 1688 O TRP D 41 100.996 1.960 -20.567 1.00 0.00 O ATOM 1689 CB TRP D 41 99.342 2.676 -17.902 1.00 0.00 C ATOM 1690 CG TRP D 41 98.923 3.769 -18.840 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.734 4.381 -19.736 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.614 4.400 -18.981 1.00 0.00 C ATOM 1693 NE1 TRP D 41 99.004 5.332 -20.425 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.694 5.383 -19.996 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.376 4.215 -18.336 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.588 6.152 -20.359 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.261 4.991 -18.698 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.368 5.956 -19.709 1.00 0.00 C ATOM 0 H TRP D 41 99.339 0.457 -16.815 1.00 0.00 H new ATOM 0 HA TRP D 41 98.817 1.226 -19.411 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.562 2.504 -17.160 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.238 2.976 -17.359 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.781 4.162 -19.888 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.388 5.924 -21.161 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.282 3.472 -17.558 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.675 6.895 -21.138 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.317 4.843 -18.195 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.507 6.547 -19.985 1.00 0.00 H new ATOM 1709 N THR D 42 101.995 1.061 -18.789 1.00 0.00 N ATOM 1710 CA THR D 42 103.320 1.109 -19.403 1.00 0.00 C ATOM 1711 C THR D 42 103.354 0.244 -20.660 1.00 0.00 C ATOM 1712 O THR D 42 104.057 0.556 -21.622 1.00 0.00 O ATOM 1713 CB THR D 42 104.387 0.617 -18.420 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.204 -0.772 -18.180 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.277 1.384 -17.099 1.00 0.00 C ATOM 0 H THR D 42 101.974 0.668 -17.848 1.00 0.00 H new ATOM 0 HA THR D 42 103.531 2.144 -19.671 1.00 0.00 H new ATOM 0 HB THR D 42 105.374 0.788 -18.849 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.297 -0.929 -17.844 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.040 1.027 -16.407 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.423 2.448 -17.283 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.290 1.223 -16.666 1.00 0.00 H new ATOM 1723 N ILE D 43 102.608 -0.828 -20.642 1.00 0.00 N ATOM 1724 CA ILE D 43 102.562 -1.739 -21.782 1.00 0.00 C ATOM 1725 C ILE D 43 101.940 -1.056 -23.001 1.00 0.00 C ATOM 1726 O ILE D 43 102.503 -1.085 -24.094 1.00 0.00 O ATOM 1727 CB ILE D 43 101.745 -2.980 -21.410 1.00 0.00 C ATOM 1728 CG1 ILE D 43 102.430 -3.706 -20.246 1.00 0.00 C ATOM 1729 CG2 ILE D 43 101.648 -3.924 -22.615 1.00 0.00 C ATOM 1730 CD1 ILE D 43 101.478 -4.755 -19.667 1.00 0.00 C ATOM 0 H ILE D 43 102.019 -1.102 -19.856 1.00 0.00 H new ATOM 0 HA ILE D 43 103.581 -2.031 -22.036 1.00 0.00 H new ATOM 0 HB ILE D 43 100.741 -2.675 -21.115 1.00 0.00 H new ATOM 0 HG12 ILE D 43 103.348 -4.183 -20.591 1.00 0.00 H new ATOM 0 HG13 ILE D 43 102.713 -2.991 -19.474 1.00 0.00 H new ATOM 0 HG21 ILE D 43 101.065 -4.804 -22.342 1.00 0.00 H new ATOM 0 HG22 ILE D 43 101.161 -3.409 -23.443 1.00 0.00 H new ATOM 0 HG23 ILE D 43 102.649 -4.231 -22.918 1.00 0.00 H new ATOM 0 HD11 ILE D 43 101.965 -5.271 -18.840 1.00 0.00 H new ATOM 0 HD12 ILE D 43 100.573 -4.266 -19.307 1.00 0.00 H new ATOM 0 HD13 ILE D 43 101.217 -5.476 -20.441 1.00 0.00 H new ATOM 1742 N GLY D 44 100.793 -0.460 -22.806 1.00 0.00 N ATOM 1743 CA GLY D 44 100.088 0.225 -23.890 1.00 0.00 C ATOM 1744 C GLY D 44 100.967 1.276 -24.564 1.00 0.00 C ATOM 1745 O GLY D 44 100.783 1.591 -25.739 1.00 0.00 O ATOM 0 H GLY D 44 100.314 -0.428 -21.906 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.763 -0.506 -24.631 1.00 0.00 H new ATOM 0 HA3 GLY D 44 99.190 0.701 -23.496 1.00 0.00 H new ATOM 1749 N HIS D 45 101.890 1.816 -23.822 1.00 0.00 N ATOM 1750 CA HIS D 45 102.786 2.847 -24.339 1.00 0.00 C ATOM 1751 C HIS D 45 103.563 2.386 -25.581 1.00 0.00 C ATOM 1752 O HIS D 45 103.963 3.210 -26.400 1.00 0.00 O ATOM 1753 CB HIS D 45 103.773 3.262 -23.248 1.00 0.00 C ATOM 1754 CG HIS D 45 104.438 4.556 -23.636 1.00 0.00 C ATOM 1755 ND1 HIS D 45 105.814 4.721 -23.600 1.00 0.00 N ATOM 1756 CD2 HIS D 45 103.927 5.756 -24.068 1.00 0.00 C ATOM 1757 CE1 HIS D 45 106.082 5.977 -24.001 1.00 0.00 C ATOM 1758 NE2 HIS D 45 104.967 6.651 -24.297 1.00 0.00 N ATOM 0 H HIS D 45 102.054 1.567 -22.847 1.00 0.00 H new ATOM 0 HA HIS D 45 102.166 3.693 -24.637 1.00 0.00 H new ATOM 0 HB2 HIS D 45 103.252 3.379 -22.298 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.523 2.484 -23.107 1.00 0.00 H new ATOM 0 HD2 HIS D 45 102.878 5.971 -24.208 1.00 0.00 H new ATOM 0 HE1 HIS D 45 107.077 6.390 -24.075 1.00 0.00 H new ATOM 0 HE2 HIS D 45 104.894 7.615 -24.621 1.00 0.00 H new ATOM 1767 N LEU D 46 103.806 1.108 -25.705 1.00 0.00 N ATOM 1768 CA LEU D 46 104.567 0.603 -26.836 1.00 0.00 C ATOM 1769 C LEU D 46 104.064 1.135 -28.185 1.00 0.00 C ATOM 1770 O LEU D 46 104.840 1.230 -29.137 1.00 0.00 O ATOM 1771 CB LEU D 46 104.648 -0.940 -26.783 1.00 0.00 C ATOM 1772 CG LEU D 46 103.367 -1.705 -27.258 1.00 0.00 C ATOM 1773 CD1 LEU D 46 102.045 -0.959 -27.006 1.00 0.00 C ATOM 1774 CD2 LEU D 46 103.489 -2.073 -28.750 1.00 0.00 C ATOM 0 H LEU D 46 103.494 0.395 -25.046 1.00 0.00 H new ATOM 0 HA LEU D 46 105.583 0.990 -26.751 1.00 0.00 H new ATOM 0 HB2 LEU D 46 105.489 -1.262 -27.396 1.00 0.00 H new ATOM 0 HB3 LEU D 46 104.868 -1.239 -25.758 1.00 0.00 H new ATOM 0 HG LEU D 46 103.320 -2.605 -26.645 1.00 0.00 H new ATOM 0 HD11 LEU D 46 101.212 -1.563 -27.366 1.00 0.00 H new ATOM 0 HD12 LEU D 46 101.927 -0.779 -25.938 1.00 0.00 H new ATOM 0 HD13 LEU D 46 102.058 -0.006 -27.535 1.00 0.00 H new ATOM 0 HD21 LEU D 46 102.592 -2.605 -29.068 1.00 0.00 H new ATOM 0 HD22 LEU D 46 103.601 -1.164 -29.341 1.00 0.00 H new ATOM 0 HD23 LEU D 46 104.360 -2.711 -28.897 1.00 0.00 H new