USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=10 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= -18.2! C(o=-29!,f=-38!) USER MOD Set 1.2: D 37 HIS : no HE2:sc= -11.1! C(o=-29!,f=-35!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -91:sc= 0.876 USER MOD Single : A 45 HIS : no HD1:sc= -0.051 X(o=-0.051,f=0) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HE2:sc= -0.454 K(o=-0.45,f=-2.7!) USER MOD Single : B 42 THR OG1 : rot -116:sc= 0.435 USER MOD Single : B 45 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.02) USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : B 48 GLN : amide:sc= -4.74! C(o=-4.7!,f=-7.6!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -8.91! C(o=-8.9!,f=-13!) USER MOD Single : C 42 THR OG1 : rot -99:sc= 0.778 USER MOD Single : C 45 HIS : no HD1:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 42 THR OG1 : rot 94:sc= 1.12 USER MOD Single : D 45 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 23 N PRO A 25 77.887 2.709 2.118 1.00 0.00 N ATOM 24 CA PRO A 25 78.285 1.863 0.955 1.00 0.00 C ATOM 25 C PRO A 25 78.613 2.702 -0.280 1.00 0.00 C ATOM 26 O PRO A 25 78.830 2.165 -1.367 1.00 0.00 O ATOM 27 CB PRO A 25 77.042 0.996 0.724 1.00 0.00 C ATOM 28 CG PRO A 25 75.896 1.860 1.150 1.00 0.00 C ATOM 29 CD PRO A 25 76.423 2.740 2.293 1.00 0.00 C ATOM 0 HA PRO A 25 79.190 1.286 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 25 76.951 0.704 -0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 25 77.085 0.077 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 25 75.540 2.471 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.054 1.253 1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 25 76.034 3.756 2.227 1.00 0.00 H new ATOM 0 HD3 PRO A 25 76.129 2.349 3.267 1.00 0.00 H new ATOM 37 N LEU A 26 78.643 3.995 -0.108 1.00 0.00 N ATOM 38 CA LEU A 26 78.943 4.897 -1.216 1.00 0.00 C ATOM 39 C LEU A 26 80.388 4.721 -1.679 1.00 0.00 C ATOM 40 O LEU A 26 80.659 4.633 -2.876 1.00 0.00 O ATOM 41 CB LEU A 26 78.710 6.351 -0.782 1.00 0.00 C ATOM 42 CG LEU A 26 78.938 7.312 -1.963 1.00 0.00 C ATOM 43 CD1 LEU A 26 77.898 7.056 -3.069 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.811 8.757 -1.459 1.00 0.00 C ATOM 0 H LEU A 26 78.465 4.459 0.783 1.00 0.00 H new ATOM 0 HA LEU A 26 78.280 4.656 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 26 77.694 6.465 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 26 79.385 6.605 0.036 1.00 0.00 H new ATOM 0 HG LEU A 26 79.933 7.147 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 26 78.071 7.743 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 26 77.989 6.029 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 26 76.896 7.215 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 26 78.971 9.447 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 26 77.815 8.912 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 26 79.557 8.940 -0.686 1.00 0.00 H new ATOM 56 N VAL A 27 81.295 4.682 -0.741 1.00 0.00 N ATOM 57 CA VAL A 27 82.710 4.528 -1.062 1.00 0.00 C ATOM 58 C VAL A 27 83.014 3.123 -1.578 1.00 0.00 C ATOM 59 O VAL A 27 83.821 2.950 -2.491 1.00 0.00 O ATOM 60 CB VAL A 27 83.558 4.809 0.179 1.00 0.00 C ATOM 61 CG1 VAL A 27 83.273 3.748 1.244 1.00 0.00 C ATOM 62 CG2 VAL A 27 85.040 4.770 -0.197 1.00 0.00 C ATOM 0 H VAL A 27 81.091 4.754 0.256 1.00 0.00 H new ATOM 0 HA VAL A 27 82.955 5.242 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 27 83.309 5.794 0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 27 83.878 3.949 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 27 82.217 3.776 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 27 83.521 2.762 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.645 4.970 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.289 3.785 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 27 85.243 5.527 -0.955 1.00 0.00 H new ATOM 72 N VAL A 28 82.378 2.142 -0.999 1.00 0.00 N ATOM 73 CA VAL A 28 82.595 0.759 -1.409 1.00 0.00 C ATOM 74 C VAL A 28 82.006 0.509 -2.795 1.00 0.00 C ATOM 75 O VAL A 28 82.621 -0.147 -3.635 1.00 0.00 O ATOM 76 CB VAL A 28 81.951 -0.195 -0.401 1.00 0.00 C ATOM 77 CG1 VAL A 28 82.139 -1.638 -0.871 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.615 -0.014 0.967 1.00 0.00 C ATOM 0 H VAL A 28 81.704 2.262 -0.242 1.00 0.00 H new ATOM 0 HA VAL A 28 83.669 0.578 -1.445 1.00 0.00 H new ATOM 0 HB VAL A 28 80.886 0.025 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 28 81.680 -2.317 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.668 -1.768 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 28 83.203 -1.859 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 28 82.157 -0.693 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 28 83.680 -0.234 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 28 82.482 1.014 1.303 1.00 0.00 H new ATOM 88 N ALA A 29 80.826 1.018 -3.015 1.00 0.00 N ATOM 89 CA ALA A 29 80.150 0.839 -4.295 1.00 0.00 C ATOM 90 C ALA A 29 81.073 1.193 -5.458 1.00 0.00 C ATOM 91 O ALA A 29 81.022 0.562 -6.510 1.00 0.00 O ATOM 92 CB ALA A 29 78.899 1.717 -4.351 1.00 0.00 C ATOM 0 H ALA A 29 80.301 1.563 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 29 79.867 -0.210 -4.384 1.00 0.00 H new ATOM 0 HB1 ALA A 29 78.400 1.578 -5.310 1.00 0.00 H new ATOM 0 HB2 ALA A 29 78.221 1.437 -3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 29 79.183 2.763 -4.238 1.00 0.00 H new ATOM 98 N ALA A 30 81.889 2.191 -5.272 1.00 0.00 N ATOM 99 CA ALA A 30 82.809 2.624 -6.321 1.00 0.00 C ATOM 100 C ALA A 30 83.852 1.547 -6.630 1.00 0.00 C ATOM 101 O ALA A 30 84.359 1.466 -7.749 1.00 0.00 O ATOM 102 CB ALA A 30 83.517 3.909 -5.892 1.00 0.00 C ATOM 0 H ALA A 30 81.947 2.730 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 30 82.226 2.805 -7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 30 84.202 4.227 -6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 30 82.778 4.691 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 30 84.077 3.727 -4.975 1.00 0.00 H new ATOM 108 N SER A 31 84.178 0.754 -5.647 1.00 0.00 N ATOM 109 CA SER A 31 85.181 -0.297 -5.819 1.00 0.00 C ATOM 110 C SER A 31 84.822 -1.246 -6.963 1.00 0.00 C ATOM 111 O SER A 31 85.685 -1.620 -7.757 1.00 0.00 O ATOM 112 CB SER A 31 85.321 -1.096 -4.523 1.00 0.00 C ATOM 113 OG SER A 31 86.329 -2.084 -4.689 1.00 0.00 O ATOM 0 H SER A 31 83.772 0.804 -4.713 1.00 0.00 H new ATOM 0 HA SER A 31 86.126 0.187 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 31 85.579 -0.432 -3.698 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.372 -1.567 -4.268 1.00 0.00 H new ATOM 0 HG SER A 31 86.423 -2.598 -3.860 1.00 0.00 H new ATOM 119 N ILE A 32 83.580 -1.641 -7.034 1.00 0.00 N ATOM 120 CA ILE A 32 83.143 -2.564 -8.082 1.00 0.00 C ATOM 121 C ILE A 32 83.586 -2.081 -9.465 1.00 0.00 C ATOM 122 O ILE A 32 83.807 -2.885 -10.372 1.00 0.00 O ATOM 123 CB ILE A 32 81.612 -2.733 -8.031 1.00 0.00 C ATOM 124 CG1 ILE A 32 80.919 -1.569 -8.768 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.160 -2.764 -6.567 1.00 0.00 C ATOM 126 CD1 ILE A 32 79.424 -1.547 -8.438 1.00 0.00 C ATOM 0 H ILE A 32 82.846 -1.348 -6.389 1.00 0.00 H new ATOM 0 HA ILE A 32 83.612 -3.532 -7.903 1.00 0.00 H new ATOM 0 HB ILE A 32 81.337 -3.666 -8.522 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.376 -0.623 -8.479 1.00 0.00 H new ATOM 0 HG13 ILE A 32 81.060 -1.675 -9.844 1.00 0.00 H new ATOM 0 HG21 ILE A 32 80.077 -2.883 -6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.638 -3.600 -6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.442 -1.831 -6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 32 78.947 -0.720 -8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 32 78.969 -2.487 -8.750 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.290 -1.418 -7.364 1.00 0.00 H new ATOM 138 N ILE A 33 83.702 -0.791 -9.618 1.00 0.00 N ATOM 139 CA ILE A 33 84.106 -0.212 -10.896 1.00 0.00 C ATOM 140 C ILE A 33 85.562 -0.562 -11.209 1.00 0.00 C ATOM 141 O ILE A 33 85.945 -0.666 -12.374 1.00 0.00 O ATOM 142 CB ILE A 33 83.918 1.321 -10.868 1.00 0.00 C ATOM 143 CG1 ILE A 33 82.446 1.647 -10.522 1.00 0.00 C ATOM 144 CG2 ILE A 33 84.275 1.920 -12.244 1.00 0.00 C ATOM 145 CD1 ILE A 33 82.114 3.105 -10.870 1.00 0.00 C ATOM 0 H ILE A 33 83.525 -0.109 -8.880 1.00 0.00 H new ATOM 0 HA ILE A 33 83.476 -0.630 -11.681 1.00 0.00 H new ATOM 0 HB ILE A 33 84.576 1.753 -10.114 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.782 0.978 -11.069 1.00 0.00 H new ATOM 0 HG13 ILE A 33 82.270 1.473 -9.461 1.00 0.00 H new ATOM 0 HG21 ILE A 33 84.140 3.001 -12.216 1.00 0.00 H new ATOM 0 HG22 ILE A 33 85.313 1.690 -12.483 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.624 1.493 -13.007 1.00 0.00 H new ATOM 0 HD11 ILE A 33 81.074 3.311 -10.618 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.764 3.771 -10.303 1.00 0.00 H new ATOM 0 HD13 ILE A 33 82.268 3.269 -11.937 1.00 0.00 H new ATOM 157 N GLY A 34 86.357 -0.728 -10.190 1.00 0.00 N ATOM 158 CA GLY A 34 87.768 -1.047 -10.382 1.00 0.00 C ATOM 159 C GLY A 34 87.968 -2.433 -10.990 1.00 0.00 C ATOM 160 O GLY A 34 88.708 -2.589 -11.961 1.00 0.00 O ATOM 0 H GLY A 34 86.066 -0.651 -9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 34 88.223 -0.298 -11.031 1.00 0.00 H new ATOM 0 HA3 GLY A 34 88.284 -0.995 -9.424 1.00 0.00 H new ATOM 164 N ILE A 35 87.333 -3.417 -10.423 1.00 0.00 N ATOM 165 CA ILE A 35 87.467 -4.782 -10.918 1.00 0.00 C ATOM 166 C ILE A 35 86.861 -4.922 -12.313 1.00 0.00 C ATOM 167 O ILE A 35 87.291 -5.763 -13.104 1.00 0.00 O ATOM 168 CB ILE A 35 86.778 -5.762 -9.964 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.423 -5.682 -8.569 1.00 0.00 C ATOM 170 CG2 ILE A 35 86.936 -7.184 -10.505 1.00 0.00 C ATOM 171 CD1 ILE A 35 87.044 -4.372 -7.858 1.00 0.00 C ATOM 0 H ILE A 35 86.715 -3.314 -9.618 1.00 0.00 H new ATOM 0 HA ILE A 35 88.531 -5.014 -10.974 1.00 0.00 H new ATOM 0 HB ILE A 35 85.722 -5.504 -9.888 1.00 0.00 H new ATOM 0 HG12 ILE A 35 87.102 -6.532 -7.967 1.00 0.00 H new ATOM 0 HG13 ILE A 35 88.507 -5.749 -8.662 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.447 -7.887 -9.830 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.478 -7.251 -11.492 1.00 0.00 H new ATOM 0 HG23 ILE A 35 87.995 -7.429 -10.579 1.00 0.00 H new ATOM 0 HD11 ILE A 35 87.514 -4.343 -6.875 1.00 0.00 H new ATOM 0 HD12 ILE A 35 87.388 -3.524 -8.450 1.00 0.00 H new ATOM 0 HD13 ILE A 35 85.961 -4.320 -7.745 1.00 0.00 H new ATOM 183 N LEU A 36 85.867 -4.127 -12.598 1.00 0.00 N ATOM 184 CA LEU A 36 85.194 -4.188 -13.892 1.00 0.00 C ATOM 185 C LEU A 36 86.142 -3.861 -15.048 1.00 0.00 C ATOM 186 O LEU A 36 86.178 -4.584 -16.044 1.00 0.00 O ATOM 187 CB LEU A 36 84.010 -3.210 -13.898 1.00 0.00 C ATOM 188 CG LEU A 36 83.346 -3.164 -15.284 1.00 0.00 C ATOM 189 CD1 LEU A 36 82.959 -4.578 -15.736 1.00 0.00 C ATOM 190 CD2 LEU A 36 82.089 -2.292 -15.201 1.00 0.00 C ATOM 0 H LEU A 36 85.495 -3.424 -11.959 1.00 0.00 H new ATOM 0 HA LEU A 36 84.840 -5.209 -14.037 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.278 -3.513 -13.149 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.354 -2.213 -13.622 1.00 0.00 H new ATOM 0 HG LEU A 36 84.047 -2.746 -16.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 82.490 -4.530 -16.719 1.00 0.00 H new ATOM 0 HD12 LEU A 36 83.852 -5.200 -15.790 1.00 0.00 H new ATOM 0 HD13 LEU A 36 82.259 -5.010 -15.021 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.609 -2.252 -16.179 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.397 -2.719 -14.475 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.365 -1.284 -14.891 1.00 0.00 H new ATOM 202 N HIS A 37 86.870 -2.781 -14.937 1.00 0.00 N ATOM 203 CA HIS A 37 87.774 -2.383 -16.015 1.00 0.00 C ATOM 204 C HIS A 37 88.795 -3.474 -16.336 1.00 0.00 C ATOM 205 O HIS A 37 89.259 -3.575 -17.471 1.00 0.00 O ATOM 206 CB HIS A 37 88.492 -1.071 -15.669 1.00 0.00 C ATOM 207 CG HIS A 37 89.442 -1.278 -14.522 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.354 -2.320 -14.487 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.633 -0.573 -13.363 1.00 0.00 C ATOM 210 CE1 HIS A 37 91.044 -2.216 -13.339 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.644 -1.167 -12.614 1.00 0.00 N ATOM 0 H HIS A 37 86.865 -2.160 -14.128 1.00 0.00 H new ATOM 0 HA HIS A 37 87.163 -2.228 -16.904 1.00 0.00 H new ATOM 0 HB2 HIS A 37 89.038 -0.707 -16.540 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.760 -0.306 -15.409 1.00 0.00 H new ATOM 0 HD2 HIS A 37 89.082 0.310 -13.074 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.827 -2.897 -13.039 1.00 0.00 H new ATOM 0 HE2 HIS A 37 91.002 -0.867 -11.707 1.00 0.00 H new ATOM 220 N PHE A 38 89.147 -4.267 -15.361 1.00 0.00 N ATOM 221 CA PHE A 38 90.126 -5.330 -15.579 1.00 0.00 C ATOM 222 C PHE A 38 89.651 -6.299 -16.657 1.00 0.00 C ATOM 223 O PHE A 38 90.425 -6.698 -17.528 1.00 0.00 O ATOM 224 CB PHE A 38 90.368 -6.093 -14.275 1.00 0.00 C ATOM 225 CG PHE A 38 91.495 -7.080 -14.470 1.00 0.00 C ATOM 226 CD1 PHE A 38 92.824 -6.648 -14.387 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.212 -8.425 -14.734 1.00 0.00 C ATOM 228 CE1 PHE A 38 93.870 -7.561 -14.567 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.257 -9.338 -14.913 1.00 0.00 C ATOM 230 CZ PHE A 38 93.586 -8.907 -14.830 1.00 0.00 C ATOM 0 H PHE A 38 88.782 -4.209 -14.410 1.00 0.00 H new ATOM 0 HA PHE A 38 91.057 -4.870 -15.912 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.615 -5.396 -13.474 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.460 -6.616 -13.974 1.00 0.00 H new ATOM 0 HD1 PHE A 38 93.042 -5.610 -14.184 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.187 -8.758 -14.800 1.00 0.00 H new ATOM 0 HE1 PHE A 38 94.895 -7.228 -14.503 1.00 0.00 H new ATOM 0 HE2 PHE A 38 92.038 -10.376 -15.115 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.392 -9.612 -14.969 1.00 0.00 H new ATOM 240 N ILE A 39 88.405 -6.675 -16.592 1.00 0.00 N ATOM 241 CA ILE A 39 87.851 -7.607 -17.568 1.00 0.00 C ATOM 242 C ILE A 39 88.012 -7.069 -18.986 1.00 0.00 C ATOM 243 O ILE A 39 88.472 -7.780 -19.879 1.00 0.00 O ATOM 244 CB ILE A 39 86.368 -7.847 -17.281 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.206 -8.394 -15.861 1.00 0.00 C ATOM 246 CG2 ILE A 39 85.809 -8.861 -18.281 1.00 0.00 C ATOM 247 CD1 ILE A 39 84.723 -8.408 -15.487 1.00 0.00 C ATOM 0 H ILE A 39 87.745 -6.359 -15.881 1.00 0.00 H new ATOM 0 HA ILE A 39 88.396 -8.547 -17.486 1.00 0.00 H new ATOM 0 HB ILE A 39 85.825 -6.907 -17.375 1.00 0.00 H new ATOM 0 HG12 ILE A 39 86.617 -9.401 -15.799 1.00 0.00 H new ATOM 0 HG13 ILE A 39 86.764 -7.778 -15.156 1.00 0.00 H new ATOM 0 HG21 ILE A 39 84.752 -9.031 -18.075 1.00 0.00 H new ATOM 0 HG22 ILE A 39 85.924 -8.474 -19.294 1.00 0.00 H new ATOM 0 HG23 ILE A 39 86.352 -9.801 -18.188 1.00 0.00 H new ATOM 0 HD11 ILE A 39 84.606 -8.798 -14.476 1.00 0.00 H new ATOM 0 HD12 ILE A 39 84.327 -7.394 -15.533 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.178 -9.043 -16.185 1.00 0.00 H new ATOM 259 N ALA A 40 87.635 -5.837 -19.187 1.00 0.00 N ATOM 260 CA ALA A 40 87.738 -5.225 -20.505 1.00 0.00 C ATOM 261 C ALA A 40 89.199 -5.018 -20.892 1.00 0.00 C ATOM 262 O ALA A 40 89.565 -5.130 -22.061 1.00 0.00 O ATOM 263 CB ALA A 40 87.009 -3.881 -20.513 1.00 0.00 C ATOM 0 H ALA A 40 87.253 -5.228 -18.463 1.00 0.00 H new ATOM 0 HA ALA A 40 87.277 -5.894 -21.231 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.090 -3.429 -21.502 1.00 0.00 H new ATOM 0 HB2 ALA A 40 85.958 -4.036 -20.270 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.459 -3.219 -19.773 1.00 0.00 H new ATOM 269 N TRP A 41 90.012 -4.702 -19.919 1.00 0.00 N ATOM 270 CA TRP A 41 91.431 -4.458 -20.161 1.00 0.00 C ATOM 271 C TRP A 41 92.036 -5.575 -21.003 1.00 0.00 C ATOM 272 O TRP A 41 92.935 -5.340 -21.809 1.00 0.00 O ATOM 273 CB TRP A 41 92.170 -4.366 -18.822 1.00 0.00 C ATOM 274 CG TRP A 41 93.540 -3.798 -19.029 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.557 -4.428 -19.662 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.062 -2.506 -18.603 1.00 0.00 C ATOM 277 NE1 TRP A 41 95.665 -3.602 -19.661 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.412 -2.407 -19.019 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.503 -1.419 -17.907 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.177 -1.271 -18.753 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.273 -0.276 -17.635 1.00 0.00 C ATOM 282 CH2 TRP A 41 95.608 -0.202 -18.059 1.00 0.00 C ATOM 0 H TRP A 41 89.726 -4.604 -18.945 1.00 0.00 H new ATOM 0 HA TRP A 41 91.534 -3.519 -20.705 1.00 0.00 H new ATOM 0 HB2 TRP A 41 91.608 -3.738 -18.130 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.242 -5.355 -18.369 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.510 -5.415 -20.097 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.561 -3.846 -20.083 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.475 -1.463 -17.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.204 -1.219 -19.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 93.834 0.551 -17.096 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.194 0.680 -17.849 1.00 0.00 H new ATOM 293 N THR A 42 91.545 -6.767 -20.820 1.00 0.00 N ATOM 294 CA THR A 42 92.048 -7.908 -21.574 1.00 0.00 C ATOM 295 C THR A 42 91.804 -7.726 -23.069 1.00 0.00 C ATOM 296 O THR A 42 92.597 -8.178 -23.893 1.00 0.00 O ATOM 297 CB THR A 42 91.368 -9.194 -21.100 1.00 0.00 C ATOM 298 OG1 THR A 42 89.959 -9.050 -21.212 1.00 0.00 O ATOM 299 CG2 THR A 42 91.742 -9.465 -19.644 1.00 0.00 C ATOM 0 H THR A 42 90.799 -6.987 -20.160 1.00 0.00 H new ATOM 0 HA THR A 42 93.122 -7.978 -21.401 1.00 0.00 H new ATOM 0 HB THR A 42 91.699 -10.030 -21.717 1.00 0.00 H new ATOM 0 HG1 THR A 42 89.599 -8.691 -20.374 1.00 0.00 H new ATOM 0 HG21 THR A 42 91.257 -10.381 -19.308 1.00 0.00 H new ATOM 0 HG22 THR A 42 92.823 -9.575 -19.561 1.00 0.00 H new ATOM 0 HG23 THR A 42 91.413 -8.632 -19.023 1.00 0.00 H new ATOM 307 N ILE A 43 90.721 -7.080 -23.410 1.00 0.00 N ATOM 308 CA ILE A 43 90.393 -6.857 -24.813 1.00 0.00 C ATOM 309 C ILE A 43 91.359 -5.853 -25.437 1.00 0.00 C ATOM 310 O ILE A 43 91.872 -6.074 -26.525 1.00 0.00 O ATOM 311 CB ILE A 43 88.955 -6.355 -24.929 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.041 -7.210 -24.041 1.00 0.00 C ATOM 313 CG2 ILE A 43 88.489 -6.459 -26.382 1.00 0.00 C ATOM 314 CD1 ILE A 43 88.254 -8.700 -24.339 1.00 0.00 C ATOM 0 H ILE A 43 90.047 -6.696 -22.747 1.00 0.00 H new ATOM 0 HA ILE A 43 90.488 -7.799 -25.353 1.00 0.00 H new ATOM 0 HB ILE A 43 88.910 -5.315 -24.607 1.00 0.00 H new ATOM 0 HG12 ILE A 43 88.251 -7.008 -22.991 1.00 0.00 H new ATOM 0 HG13 ILE A 43 86.999 -6.942 -24.215 1.00 0.00 H new ATOM 0 HG21 ILE A 43 87.463 -6.100 -26.462 1.00 0.00 H new ATOM 0 HG22 ILE A 43 89.136 -5.852 -27.016 1.00 0.00 H new ATOM 0 HG23 ILE A 43 88.536 -7.499 -26.706 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.600 -9.296 -23.702 1.00 0.00 H new ATOM 0 HD12 ILE A 43 88.021 -8.899 -25.385 1.00 0.00 H new ATOM 0 HD13 ILE A 43 89.292 -8.966 -24.141 1.00 0.00 H new ATOM 326 N GLY A 44 91.601 -4.766 -24.764 1.00 0.00 N ATOM 327 CA GLY A 44 92.500 -3.739 -25.288 1.00 0.00 C ATOM 328 C GLY A 44 93.758 -4.372 -25.874 1.00 0.00 C ATOM 329 O GLY A 44 94.425 -3.784 -26.726 1.00 0.00 O ATOM 0 H GLY A 44 91.197 -4.554 -23.852 1.00 0.00 H new ATOM 0 HA2 GLY A 44 91.988 -3.158 -26.055 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.772 -3.046 -24.492 1.00 0.00 H new ATOM 333 N HIS A 45 94.073 -5.544 -25.410 1.00 0.00 N ATOM 334 CA HIS A 45 95.253 -6.261 -25.868 1.00 0.00 C ATOM 335 C HIS A 45 95.381 -6.247 -27.399 1.00 0.00 C ATOM 336 O HIS A 45 96.490 -6.385 -27.913 1.00 0.00 O ATOM 337 CB HIS A 45 95.197 -7.704 -25.362 1.00 0.00 C ATOM 338 CG HIS A 45 96.564 -8.331 -25.433 1.00 0.00 C ATOM 339 ND1 HIS A 45 96.770 -9.604 -25.943 1.00 0.00 N ATOM 340 CD2 HIS A 45 97.803 -7.876 -25.051 1.00 0.00 C ATOM 341 CE1 HIS A 45 98.086 -9.869 -25.854 1.00 0.00 C ATOM 342 NE2 HIS A 45 98.761 -8.849 -25.318 1.00 0.00 N ATOM 0 H HIS A 45 93.529 -6.040 -24.704 1.00 0.00 H new ATOM 0 HA HIS A 45 96.130 -5.755 -25.465 1.00 0.00 H new ATOM 0 HB2 HIS A 45 94.832 -7.723 -24.335 1.00 0.00 H new ATOM 0 HB3 HIS A 45 94.492 -8.281 -25.961 1.00 0.00 H new ATOM 0 HD2 HIS A 45 98.003 -6.910 -24.611 1.00 0.00 H new ATOM 0 HE1 HIS A 45 98.541 -10.794 -26.177 1.00 0.00 H new ATOM 0 HE2 HIS A 45 99.764 -8.795 -25.142 1.00 0.00 H new ATOM 495 N PRO B 25 83.054 16.387 0.819 1.00 0.00 N ATOM 496 CA PRO B 25 82.780 15.472 -0.331 1.00 0.00 C ATOM 497 C PRO B 25 84.066 15.086 -1.065 1.00 0.00 C ATOM 498 O PRO B 25 84.085 14.971 -2.290 1.00 0.00 O ATOM 499 CB PRO B 25 81.845 16.298 -1.228 1.00 0.00 C ATOM 500 CG PRO B 25 82.203 17.720 -0.940 1.00 0.00 C ATOM 501 CD PRO B 25 82.594 17.763 0.539 1.00 0.00 C ATOM 0 HA PRO B 25 82.341 14.524 -0.020 1.00 0.00 H new ATOM 0 HB2 PRO B 25 81.992 16.058 -2.281 1.00 0.00 H new ATOM 0 HB3 PRO B 25 80.798 16.099 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO B 25 83.027 18.051 -1.572 1.00 0.00 H new ATOM 0 HG3 PRO B 25 81.361 18.383 -1.141 1.00 0.00 H new ATOM 0 HD2 PRO B 25 83.381 18.494 0.724 1.00 0.00 H new ATOM 0 HD3 PRO B 25 81.748 18.039 1.169 1.00 0.00 H new ATOM 509 N LEU B 26 85.119 14.898 -0.317 1.00 0.00 N ATOM 510 CA LEU B 26 86.407 14.531 -0.899 1.00 0.00 C ATOM 511 C LEU B 26 86.368 13.107 -1.453 1.00 0.00 C ATOM 512 O LEU B 26 86.804 12.857 -2.576 1.00 0.00 O ATOM 513 CB LEU B 26 87.503 14.650 0.170 1.00 0.00 C ATOM 514 CG LEU B 26 88.857 14.177 -0.382 1.00 0.00 C ATOM 515 CD1 LEU B 26 89.208 14.946 -1.664 1.00 0.00 C ATOM 516 CD2 LEU B 26 89.937 14.425 0.677 1.00 0.00 C ATOM 0 H LEU B 26 85.123 14.990 0.699 1.00 0.00 H new ATOM 0 HA LEU B 26 86.625 15.210 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU B 26 87.582 15.685 0.502 1.00 0.00 H new ATOM 0 HB3 LEU B 26 87.233 14.055 1.042 1.00 0.00 H new ATOM 0 HG LEU B 26 88.800 13.114 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU B 26 90.170 14.601 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU B 26 88.437 14.772 -2.415 1.00 0.00 H new ATOM 0 HD13 LEU B 26 89.266 16.012 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU B 26 90.903 14.093 0.296 1.00 0.00 H new ATOM 0 HD22 LEU B 26 89.984 15.490 0.907 1.00 0.00 H new ATOM 0 HD23 LEU B 26 89.693 13.869 1.582 1.00 0.00 H new ATOM 528 N VAL B 27 85.857 12.195 -0.670 1.00 0.00 N ATOM 529 CA VAL B 27 85.766 10.798 -1.088 1.00 0.00 C ATOM 530 C VAL B 27 84.717 10.621 -2.183 1.00 0.00 C ATOM 531 O VAL B 27 84.878 9.800 -3.084 1.00 0.00 O ATOM 532 CB VAL B 27 85.410 9.919 0.112 1.00 0.00 C ATOM 533 CG1 VAL B 27 85.318 8.458 -0.333 1.00 0.00 C ATOM 534 CG2 VAL B 27 86.493 10.056 1.183 1.00 0.00 C ATOM 0 H VAL B 27 85.493 12.382 0.264 1.00 0.00 H new ATOM 0 HA VAL B 27 86.735 10.498 -1.487 1.00 0.00 H new ATOM 0 HB VAL B 27 84.450 10.236 0.521 1.00 0.00 H new ATOM 0 HG11 VAL B 27 85.064 7.832 0.523 1.00 0.00 H new ATOM 0 HG12 VAL B 27 84.547 8.358 -1.097 1.00 0.00 H new ATOM 0 HG13 VAL B 27 86.277 8.141 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL B 27 86.240 9.430 2.039 1.00 0.00 H new ATOM 0 HG22 VAL B 27 87.452 9.740 0.773 1.00 0.00 H new ATOM 0 HG23 VAL B 27 86.560 11.096 1.502 1.00 0.00 H new ATOM 544 N VAL B 28 83.662 11.384 -2.095 1.00 0.00 N ATOM 545 CA VAL B 28 82.592 11.305 -3.084 1.00 0.00 C ATOM 546 C VAL B 28 83.064 11.868 -4.424 1.00 0.00 C ATOM 547 O VAL B 28 82.855 11.261 -5.474 1.00 0.00 O ATOM 548 CB VAL B 28 81.367 12.082 -2.598 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.225 11.915 -3.602 1.00 0.00 C ATOM 550 CG2 VAL B 28 80.933 11.550 -1.225 1.00 0.00 C ATOM 0 H VAL B 28 83.509 12.070 -1.355 1.00 0.00 H new ATOM 0 HA VAL B 28 82.320 10.258 -3.217 1.00 0.00 H new ATOM 0 HB VAL B 28 81.618 13.139 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL B 28 79.352 12.469 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL B 28 80.536 12.299 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL B 28 79.972 10.859 -3.693 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.060 12.104 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL B 28 80.682 10.492 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL B 28 81.748 11.675 -0.512 1.00 0.00 H new ATOM 560 N ALA B 29 83.684 13.015 -4.372 1.00 0.00 N ATOM 561 CA ALA B 29 84.180 13.670 -5.579 1.00 0.00 C ATOM 562 C ALA B 29 84.995 12.703 -6.436 1.00 0.00 C ATOM 563 O ALA B 29 84.924 12.739 -7.664 1.00 0.00 O ATOM 564 CB ALA B 29 85.053 14.866 -5.199 1.00 0.00 C ATOM 0 H ALA B 29 83.865 13.527 -3.509 1.00 0.00 H new ATOM 0 HA ALA B 29 83.320 14.007 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA B 29 85.420 15.351 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA B 29 84.464 15.577 -4.620 1.00 0.00 H new ATOM 0 HB3 ALA B 29 85.898 14.524 -4.602 1.00 0.00 H new ATOM 570 N ALA B 30 85.755 11.858 -5.796 1.00 0.00 N ATOM 571 CA ALA B 30 86.581 10.892 -6.517 1.00 0.00 C ATOM 572 C ALA B 30 85.715 9.991 -7.394 1.00 0.00 C ATOM 573 O ALA B 30 86.147 9.541 -8.455 1.00 0.00 O ATOM 574 CB ALA B 30 87.371 10.036 -5.526 1.00 0.00 C ATOM 0 H ALA B 30 85.829 11.808 -4.780 1.00 0.00 H new ATOM 0 HA ALA B 30 87.274 11.442 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA B 30 87.984 9.319 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.014 10.677 -4.923 1.00 0.00 H new ATOM 0 HB3 ALA B 30 86.679 9.501 -4.875 1.00 0.00 H new ATOM 580 N SER B 31 84.516 9.738 -6.950 1.00 0.00 N ATOM 581 CA SER B 31 83.598 8.888 -7.702 1.00 0.00 C ATOM 582 C SER B 31 83.385 9.446 -9.106 1.00 0.00 C ATOM 583 O SER B 31 83.247 8.693 -10.071 1.00 0.00 O ATOM 584 CB SER B 31 82.256 8.795 -6.972 1.00 0.00 C ATOM 585 OG SER B 31 81.539 7.664 -7.450 1.00 0.00 O ATOM 0 H SER B 31 84.140 10.101 -6.074 1.00 0.00 H new ATOM 0 HA SER B 31 84.033 7.892 -7.783 1.00 0.00 H new ATOM 0 HB2 SER B 31 82.418 8.710 -5.898 1.00 0.00 H new ATOM 0 HB3 SER B 31 81.676 9.703 -7.135 1.00 0.00 H new ATOM 0 HG SER B 31 80.680 7.600 -6.983 1.00 0.00 H new ATOM 591 N ILE B 32 83.359 10.747 -9.209 1.00 0.00 N ATOM 592 CA ILE B 32 83.161 11.403 -10.497 1.00 0.00 C ATOM 593 C ILE B 32 84.204 10.936 -11.511 1.00 0.00 C ATOM 594 O ILE B 32 83.917 10.811 -12.699 1.00 0.00 O ATOM 595 CB ILE B 32 83.261 12.919 -10.327 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.248 13.385 -9.277 1.00 0.00 C ATOM 597 CG2 ILE B 32 82.961 13.603 -11.662 1.00 0.00 C ATOM 598 CD1 ILE B 32 82.529 14.843 -8.909 1.00 0.00 C ATOM 0 H ILE B 32 83.472 11.385 -8.421 1.00 0.00 H new ATOM 0 HA ILE B 32 82.171 11.138 -10.867 1.00 0.00 H new ATOM 0 HB ILE B 32 84.268 13.181 -10.002 1.00 0.00 H new ATOM 0 HG12 ILE B 32 81.234 13.286 -9.665 1.00 0.00 H new ATOM 0 HG13 ILE B 32 82.313 12.756 -8.389 1.00 0.00 H new ATOM 0 HG21 ILE B 32 83.032 14.684 -11.541 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.682 13.273 -12.410 1.00 0.00 H new ATOM 0 HG23 ILE B 32 81.955 13.340 -11.988 1.00 0.00 H new ATOM 0 HD11 ILE B 32 81.808 15.175 -8.162 1.00 0.00 H new ATOM 0 HD12 ILE B 32 83.537 14.928 -8.504 1.00 0.00 H new ATOM 0 HD13 ILE B 32 82.442 15.466 -9.799 1.00 0.00 H new ATOM 610 N ILE B 33 85.394 10.687 -11.040 1.00 0.00 N ATOM 611 CA ILE B 33 86.468 10.231 -11.913 1.00 0.00 C ATOM 612 C ILE B 33 86.216 8.790 -12.364 1.00 0.00 C ATOM 613 O ILE B 33 86.633 8.388 -13.451 1.00 0.00 O ATOM 614 CB ILE B 33 87.827 10.343 -11.191 1.00 0.00 C ATOM 615 CG1 ILE B 33 88.021 11.797 -10.701 1.00 0.00 C ATOM 616 CG2 ILE B 33 88.964 9.959 -12.156 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.493 12.062 -10.350 1.00 0.00 C ATOM 0 H ILE B 33 85.656 10.788 -10.059 1.00 0.00 H new ATOM 0 HA ILE B 33 86.492 10.868 -12.798 1.00 0.00 H new ATOM 0 HB ILE B 33 87.846 9.665 -10.338 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.696 12.493 -11.475 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.396 11.977 -9.827 1.00 0.00 H new ATOM 0 HG21 ILE B 33 89.921 10.040 -11.641 1.00 0.00 H new ATOM 0 HG22 ILE B 33 88.821 8.934 -12.497 1.00 0.00 H new ATOM 0 HG23 ILE B 33 88.956 10.631 -13.014 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.606 13.091 -10.008 1.00 0.00 H new ATOM 0 HD12 ILE B 33 89.807 11.380 -9.560 1.00 0.00 H new ATOM 0 HD13 ILE B 33 90.112 11.903 -11.233 1.00 0.00 H new ATOM 629 N GLY B 34 85.550 8.028 -11.537 1.00 0.00 N ATOM 630 CA GLY B 34 85.261 6.631 -11.856 1.00 0.00 C ATOM 631 C GLY B 34 84.300 6.500 -13.037 1.00 0.00 C ATOM 632 O GLY B 34 84.510 5.676 -13.927 1.00 0.00 O ATOM 0 H GLY B 34 85.192 8.340 -10.634 1.00 0.00 H new ATOM 0 HA2 GLY B 34 86.191 6.112 -12.086 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.831 6.141 -10.982 1.00 0.00 H new ATOM 636 N ILE B 35 83.261 7.289 -13.037 1.00 0.00 N ATOM 637 CA ILE B 35 82.277 7.232 -14.117 1.00 0.00 C ATOM 638 C ILE B 35 82.906 7.646 -15.448 1.00 0.00 C ATOM 639 O ILE B 35 82.671 7.012 -16.476 1.00 0.00 O ATOM 640 CB ILE B 35 81.073 8.130 -13.799 1.00 0.00 C ATOM 641 CG1 ILE B 35 81.556 9.495 -13.299 1.00 0.00 C ATOM 642 CG2 ILE B 35 80.213 7.471 -12.716 1.00 0.00 C ATOM 643 CD1 ILE B 35 80.351 10.407 -13.055 1.00 0.00 C ATOM 0 H ILE B 35 83.062 7.979 -12.313 1.00 0.00 H new ATOM 0 HA ILE B 35 81.931 6.202 -14.204 1.00 0.00 H new ATOM 0 HB ILE B 35 80.483 8.266 -14.705 1.00 0.00 H new ATOM 0 HG12 ILE B 35 82.127 9.375 -12.378 1.00 0.00 H new ATOM 0 HG13 ILE B 35 82.224 9.947 -14.032 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.359 8.110 -12.491 1.00 0.00 H new ATOM 0 HG22 ILE B 35 79.859 6.503 -13.071 1.00 0.00 H new ATOM 0 HG23 ILE B 35 80.808 7.331 -11.814 1.00 0.00 H new ATOM 0 HD11 ILE B 35 80.696 11.378 -12.699 1.00 0.00 H new ATOM 0 HD12 ILE B 35 79.799 10.537 -13.986 1.00 0.00 H new ATOM 0 HD13 ILE B 35 79.700 9.957 -12.306 1.00 0.00 H new ATOM 655 N LEU B 36 83.688 8.690 -15.423 1.00 0.00 N ATOM 656 CA LEU B 36 84.337 9.167 -16.640 1.00 0.00 C ATOM 657 C LEU B 36 85.182 8.050 -17.247 1.00 0.00 C ATOM 658 O LEU B 36 85.188 7.847 -18.461 1.00 0.00 O ATOM 659 CB LEU B 36 85.221 10.378 -16.319 1.00 0.00 C ATOM 660 CG LEU B 36 85.841 10.947 -17.605 1.00 0.00 C ATOM 661 CD1 LEU B 36 84.738 11.467 -18.547 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.786 12.096 -17.232 1.00 0.00 C ATOM 0 H LEU B 36 83.898 9.232 -14.585 1.00 0.00 H new ATOM 0 HA LEU B 36 83.574 9.466 -17.359 1.00 0.00 H new ATOM 0 HB2 LEU B 36 84.629 11.147 -15.823 1.00 0.00 H new ATOM 0 HB3 LEU B 36 86.010 10.086 -15.626 1.00 0.00 H new ATOM 0 HG LEU B 36 86.393 10.161 -18.119 1.00 0.00 H new ATOM 0 HD11 LEU B 36 85.192 11.867 -19.453 1.00 0.00 H new ATOM 0 HD12 LEU B 36 84.067 10.649 -18.808 1.00 0.00 H new ATOM 0 HD13 LEU B 36 84.173 12.254 -18.047 1.00 0.00 H new ATOM 0 HD21 LEU B 36 87.232 12.508 -18.137 1.00 0.00 H new ATOM 0 HD22 LEU B 36 86.225 12.876 -16.716 1.00 0.00 H new ATOM 0 HD23 LEU B 36 87.573 11.722 -16.577 1.00 0.00 H new ATOM 674 N HIS B 37 85.884 7.352 -16.403 1.00 0.00 N ATOM 675 CA HIS B 37 86.746 6.258 -16.834 1.00 0.00 C ATOM 676 C HIS B 37 86.000 5.305 -17.771 1.00 0.00 C ATOM 677 O HIS B 37 86.513 4.933 -18.825 1.00 0.00 O ATOM 678 CB HIS B 37 87.219 5.497 -15.591 1.00 0.00 C ATOM 679 CG HIS B 37 88.447 4.682 -15.892 1.00 0.00 C ATOM 680 ND1 HIS B 37 88.616 3.997 -17.085 1.00 0.00 N ATOM 681 CD2 HIS B 37 89.569 4.418 -15.145 1.00 0.00 C ATOM 682 CE1 HIS B 37 89.801 3.359 -17.019 1.00 0.00 C ATOM 683 NE2 HIS B 37 90.421 3.582 -15.858 1.00 0.00 N ATOM 0 H HIS B 37 85.885 7.514 -15.396 1.00 0.00 H new ATOM 0 HA HIS B 37 87.597 6.666 -17.380 1.00 0.00 H new ATOM 0 HB2 HIS B 37 87.434 6.202 -14.788 1.00 0.00 H new ATOM 0 HB3 HIS B 37 86.423 4.843 -15.236 1.00 0.00 H new ATOM 0 HD1 HIS B 37 87.963 3.979 -17.869 1.00 0.00 H new ATOM 0 HD2 HIS B 37 89.760 4.802 -14.154 1.00 0.00 H new ATOM 0 HE1 HIS B 37 90.201 2.742 -17.810 1.00 0.00 H new ATOM 692 N PHE B 38 84.815 4.919 -17.384 1.00 0.00 N ATOM 693 CA PHE B 38 84.016 4.005 -18.197 1.00 0.00 C ATOM 694 C PHE B 38 83.520 4.682 -19.470 1.00 0.00 C ATOM 695 O PHE B 38 83.454 4.054 -20.527 1.00 0.00 O ATOM 696 CB PHE B 38 82.817 3.500 -17.391 1.00 0.00 C ATOM 697 CG PHE B 38 82.018 2.535 -18.236 1.00 0.00 C ATOM 698 CD1 PHE B 38 82.325 1.169 -18.217 1.00 0.00 C ATOM 699 CD2 PHE B 38 80.973 3.006 -19.039 1.00 0.00 C ATOM 700 CE1 PHE B 38 81.586 0.274 -19.000 1.00 0.00 C ATOM 701 CE2 PHE B 38 80.234 2.111 -19.822 1.00 0.00 C ATOM 702 CZ PHE B 38 80.541 0.745 -19.803 1.00 0.00 C ATOM 0 H PHE B 38 84.371 5.215 -16.515 1.00 0.00 H new ATOM 0 HA PHE B 38 84.653 3.166 -18.478 1.00 0.00 H new ATOM 0 HB2 PHE B 38 83.158 3.008 -16.480 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.191 4.338 -17.085 1.00 0.00 H new ATOM 0 HD1 PHE B 38 83.132 0.806 -17.598 1.00 0.00 H new ATOM 0 HD2 PHE B 38 80.737 4.060 -19.055 1.00 0.00 H new ATOM 0 HE1 PHE B 38 81.822 -0.780 -18.984 1.00 0.00 H new ATOM 0 HE2 PHE B 38 79.427 2.474 -20.441 1.00 0.00 H new ATOM 0 HZ PHE B 38 79.971 0.055 -20.408 1.00 0.00 H new ATOM 712 N ILE B 39 83.173 5.935 -19.371 1.00 0.00 N ATOM 713 CA ILE B 39 82.677 6.660 -20.535 1.00 0.00 C ATOM 714 C ILE B 39 83.759 6.754 -21.611 1.00 0.00 C ATOM 715 O ILE B 39 83.480 6.558 -22.792 1.00 0.00 O ATOM 716 CB ILE B 39 82.202 8.061 -20.131 1.00 0.00 C ATOM 717 CG1 ILE B 39 80.955 7.932 -19.248 1.00 0.00 C ATOM 718 CG2 ILE B 39 81.853 8.869 -21.386 1.00 0.00 C ATOM 719 CD1 ILE B 39 80.603 9.293 -18.639 1.00 0.00 C ATOM 0 H ILE B 39 83.219 6.482 -18.511 1.00 0.00 H new ATOM 0 HA ILE B 39 81.830 6.111 -20.946 1.00 0.00 H new ATOM 0 HB ILE B 39 82.994 8.571 -19.582 1.00 0.00 H new ATOM 0 HG12 ILE B 39 80.118 7.561 -19.839 1.00 0.00 H new ATOM 0 HG13 ILE B 39 81.133 7.205 -18.456 1.00 0.00 H new ATOM 0 HG21 ILE B 39 81.516 9.864 -21.096 1.00 0.00 H new ATOM 0 HG22 ILE B 39 82.735 8.955 -22.020 1.00 0.00 H new ATOM 0 HG23 ILE B 39 81.059 8.363 -21.936 1.00 0.00 H new ATOM 0 HD11 ILE B 39 79.716 9.193 -18.013 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.437 9.647 -18.033 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.405 10.009 -19.437 1.00 0.00 H new ATOM 731 N ALA B 40 84.968 7.052 -21.213 1.00 0.00 N ATOM 732 CA ALA B 40 86.063 7.166 -22.170 1.00 0.00 C ATOM 733 C ALA B 40 86.409 5.800 -22.759 1.00 0.00 C ATOM 734 O ALA B 40 86.731 5.684 -23.942 1.00 0.00 O ATOM 735 CB ALA B 40 87.293 7.752 -21.474 1.00 0.00 C ATOM 0 H ALA B 40 85.229 7.221 -20.242 1.00 0.00 H new ATOM 0 HA ALA B 40 85.750 7.825 -22.980 1.00 0.00 H new ATOM 0 HB1 ALA B 40 88.110 7.837 -22.190 1.00 0.00 H new ATOM 0 HB2 ALA B 40 87.052 8.739 -21.080 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.594 7.098 -20.655 1.00 0.00 H new ATOM 741 N TRP B 41 86.348 4.793 -21.934 1.00 0.00 N ATOM 742 CA TRP B 41 86.661 3.432 -22.360 1.00 0.00 C ATOM 743 C TRP B 41 85.913 3.066 -23.641 1.00 0.00 C ATOM 744 O TRP B 41 86.402 2.287 -24.458 1.00 0.00 O ATOM 745 CB TRP B 41 86.273 2.452 -21.248 1.00 0.00 C ATOM 746 CG TRP B 41 86.926 1.129 -21.485 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.605 0.264 -22.476 1.00 0.00 C ATOM 748 CD2 TRP B 41 87.999 0.504 -20.728 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.429 -0.842 -22.385 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.303 -0.741 -21.321 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.734 0.897 -19.599 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.302 -1.566 -20.812 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.740 0.067 -19.080 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.024 -1.164 -19.688 1.00 0.00 C ATOM 0 H TRP B 41 86.084 4.877 -20.952 1.00 0.00 H new ATOM 0 HA TRP B 41 87.731 3.373 -22.560 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.577 2.849 -20.279 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.190 2.333 -21.218 1.00 0.00 H new ATOM 0 HD1 TRP B 41 85.832 0.414 -23.216 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.395 -1.635 -23.025 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.524 1.845 -19.126 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.517 -2.513 -21.285 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.297 0.378 -18.209 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.800 -1.800 -19.287 1.00 0.00 H new ATOM 765 N THR B 42 84.751 3.627 -23.804 1.00 0.00 N ATOM 766 CA THR B 42 83.940 3.347 -24.988 1.00 0.00 C ATOM 767 C THR B 42 84.753 3.531 -26.270 1.00 0.00 C ATOM 768 O THR B 42 84.564 2.800 -27.243 1.00 0.00 O ATOM 769 CB THR B 42 82.718 4.270 -25.026 1.00 0.00 C ATOM 770 OG1 THR B 42 83.142 5.621 -24.930 1.00 0.00 O ATOM 771 CG2 THR B 42 81.786 3.939 -23.859 1.00 0.00 C ATOM 0 H THR B 42 84.331 4.281 -23.144 1.00 0.00 H new ATOM 0 HA THR B 42 83.612 2.309 -24.927 1.00 0.00 H new ATOM 0 HB THR B 42 82.183 4.124 -25.965 1.00 0.00 H new ATOM 0 HG1 THR B 42 82.797 6.014 -24.101 1.00 0.00 H new ATOM 0 HG21 THR B 42 80.918 4.597 -23.889 1.00 0.00 H new ATOM 0 HG22 THR B 42 81.458 2.902 -23.938 1.00 0.00 H new ATOM 0 HG23 THR B 42 82.317 4.081 -22.918 1.00 0.00 H new ATOM 779 N ILE B 43 85.629 4.498 -26.274 1.00 0.00 N ATOM 780 CA ILE B 43 86.449 4.775 -27.454 1.00 0.00 C ATOM 781 C ILE B 43 87.386 3.600 -27.763 1.00 0.00 C ATOM 782 O ILE B 43 87.453 3.136 -28.899 1.00 0.00 O ATOM 783 CB ILE B 43 87.259 6.069 -27.229 1.00 0.00 C ATOM 784 CG1 ILE B 43 86.346 7.288 -27.416 1.00 0.00 C ATOM 785 CG2 ILE B 43 88.419 6.164 -28.232 1.00 0.00 C ATOM 786 CD1 ILE B 43 85.115 7.162 -26.516 1.00 0.00 C ATOM 0 H ILE B 43 85.804 5.115 -25.481 1.00 0.00 H new ATOM 0 HA ILE B 43 85.791 4.908 -28.313 1.00 0.00 H new ATOM 0 HB ILE B 43 87.661 6.050 -26.216 1.00 0.00 H new ATOM 0 HG12 ILE B 43 86.891 8.201 -27.176 1.00 0.00 H new ATOM 0 HG13 ILE B 43 86.038 7.366 -28.459 1.00 0.00 H new ATOM 0 HG21 ILE B 43 88.977 7.083 -28.056 1.00 0.00 H new ATOM 0 HG22 ILE B 43 89.081 5.307 -28.105 1.00 0.00 H new ATOM 0 HG23 ILE B 43 88.023 6.169 -29.247 1.00 0.00 H new ATOM 0 HD11 ILE B 43 84.472 8.031 -26.655 1.00 0.00 H new ATOM 0 HD12 ILE B 43 84.564 6.258 -26.777 1.00 0.00 H new ATOM 0 HD13 ILE B 43 85.430 7.107 -25.474 1.00 0.00 H new ATOM 798 N GLY B 44 88.102 3.145 -26.772 1.00 0.00 N ATOM 799 CA GLY B 44 89.045 2.042 -26.961 1.00 0.00 C ATOM 800 C GLY B 44 88.400 0.865 -27.691 1.00 0.00 C ATOM 801 O GLY B 44 89.077 0.111 -28.391 1.00 0.00 O ATOM 0 H GLY B 44 88.061 3.511 -25.821 1.00 0.00 H new ATOM 0 HA2 GLY B 44 89.907 2.393 -27.528 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.415 1.710 -25.991 1.00 0.00 H new ATOM 805 N HIS B 45 87.120 0.710 -27.519 1.00 0.00 N ATOM 806 CA HIS B 45 86.385 -0.381 -28.152 1.00 0.00 C ATOM 807 C HIS B 45 86.608 -0.418 -29.666 1.00 0.00 C ATOM 808 O HIS B 45 86.473 -1.466 -30.294 1.00 0.00 O ATOM 809 CB HIS B 45 84.890 -0.243 -27.858 1.00 0.00 C ATOM 810 CG HIS B 45 84.184 -1.521 -28.228 1.00 0.00 C ATOM 811 ND1 HIS B 45 82.981 -1.527 -28.915 1.00 0.00 N ATOM 812 CD2 HIS B 45 84.498 -2.844 -28.012 1.00 0.00 C ATOM 813 CE1 HIS B 45 82.618 -2.811 -29.089 1.00 0.00 C ATOM 814 NE2 HIS B 45 83.508 -3.654 -28.558 1.00 0.00 N ATOM 0 H HIS B 45 86.546 1.325 -26.942 1.00 0.00 H new ATOM 0 HA HIS B 45 86.762 -1.315 -27.735 1.00 0.00 H new ATOM 0 HB2 HIS B 45 84.735 -0.023 -26.802 1.00 0.00 H new ATOM 0 HB3 HIS B 45 84.473 0.591 -28.422 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.379 -3.199 -27.497 1.00 0.00 H new ATOM 0 HE1 HIS B 45 81.717 -3.122 -29.596 1.00 0.00 H new ATOM 0 HE2 HIS B 45 83.470 -4.673 -28.554 1.00 0.00 H new ATOM 823 N LEU B 46 86.902 0.708 -30.250 1.00 0.00 N ATOM 824 CA LEU B 46 87.095 0.773 -31.698 1.00 0.00 C ATOM 825 C LEU B 46 88.043 -0.322 -32.207 1.00 0.00 C ATOM 826 O LEU B 46 87.849 -0.846 -33.304 1.00 0.00 O ATOM 827 CB LEU B 46 87.621 2.167 -32.101 1.00 0.00 C ATOM 828 CG LEU B 46 89.135 2.314 -31.778 1.00 0.00 C ATOM 829 CD1 LEU B 46 89.997 1.953 -33.012 1.00 0.00 C ATOM 830 CD2 LEU B 46 89.440 3.767 -31.362 1.00 0.00 C ATOM 0 H LEU B 46 87.016 1.597 -29.763 1.00 0.00 H new ATOM 0 HA LEU B 46 86.125 0.602 -32.165 1.00 0.00 H new ATOM 0 HB2 LEU B 46 87.457 2.326 -33.167 1.00 0.00 H new ATOM 0 HB3 LEU B 46 87.058 2.937 -31.574 1.00 0.00 H new ATOM 0 HG LEU B 46 89.378 1.632 -30.963 1.00 0.00 H new ATOM 0 HD11 LEU B 46 91.053 2.063 -32.763 1.00 0.00 H new ATOM 0 HD12 LEU B 46 89.799 0.922 -33.305 1.00 0.00 H new ATOM 0 HD13 LEU B 46 89.748 2.619 -33.838 1.00 0.00 H new ATOM 0 HD21 LEU B 46 90.502 3.866 -31.137 1.00 0.00 H new ATOM 0 HD22 LEU B 46 89.178 4.441 -32.177 1.00 0.00 H new ATOM 0 HD23 LEU B 46 88.856 4.022 -30.478 1.00 0.00 H new ATOM 842 N ASN B 47 89.066 -0.631 -31.456 1.00 0.00 N ATOM 843 CA ASN B 47 90.047 -1.632 -31.890 1.00 0.00 C ATOM 844 C ASN B 47 89.455 -3.039 -32.029 1.00 0.00 C ATOM 845 O ASN B 47 89.647 -3.696 -33.053 1.00 0.00 O ATOM 846 CB ASN B 47 91.204 -1.678 -30.892 1.00 0.00 C ATOM 847 CG ASN B 47 91.946 -0.347 -30.889 1.00 0.00 C ATOM 848 OD1 ASN B 47 92.555 0.029 -31.890 1.00 0.00 O ATOM 849 ND2 ASN B 47 91.933 0.393 -29.814 1.00 0.00 N ATOM 0 H ASN B 47 89.255 -0.216 -30.544 1.00 0.00 H new ATOM 0 HA ASN B 47 90.390 -1.326 -32.878 1.00 0.00 H new ATOM 0 HB2 ASN B 47 90.825 -1.894 -29.893 1.00 0.00 H new ATOM 0 HB3 ASN B 47 91.889 -2.484 -31.154 1.00 0.00 H new ATOM 0 HD21 ASN B 47 92.428 1.285 -29.803 1.00 0.00 H new ATOM 0 HD22 ASN B 47 91.428 0.080 -28.985 1.00 0.00 H new ATOM 856 N GLN B 48 88.779 -3.507 -31.013 1.00 0.00 N ATOM 857 CA GLN B 48 88.212 -4.829 -31.021 1.00 0.00 C ATOM 858 C GLN B 48 87.060 -4.960 -32.022 1.00 0.00 C ATOM 859 O GLN B 48 87.058 -5.861 -32.862 1.00 0.00 O ATOM 860 CB GLN B 48 87.745 -5.176 -29.582 1.00 0.00 C ATOM 861 CG GLN B 48 87.912 -3.983 -28.625 1.00 0.00 C ATOM 862 CD GLN B 48 89.391 -3.651 -28.433 1.00 0.00 C ATOM 863 OE1 GLN B 48 90.254 -4.270 -29.053 1.00 0.00 O ATOM 864 NE2 GLN B 48 89.732 -2.702 -27.604 1.00 0.00 N ATOM 0 H GLN B 48 88.606 -2.982 -30.156 1.00 0.00 H new ATOM 0 HA GLN B 48 88.976 -5.536 -31.345 1.00 0.00 H new ATOM 0 HB2 GLN B 48 86.699 -5.482 -29.603 1.00 0.00 H new ATOM 0 HB3 GLN B 48 88.318 -6.025 -29.208 1.00 0.00 H new ATOM 0 HG2 GLN B 48 87.387 -3.114 -29.023 1.00 0.00 H new ATOM 0 HG3 GLN B 48 87.458 -4.216 -27.662 1.00 0.00 H new ATOM 0 HE21 GLN B 48 89.014 -2.190 -27.091 1.00 0.00 H new ATOM 0 HE22 GLN B 48 90.717 -2.472 -27.469 1.00 0.00 H new ATOM 873 N ILE B 49 86.095 -4.100 -31.914 1.00 0.00 N ATOM 874 CA ILE B 49 84.938 -4.162 -32.804 1.00 0.00 C ATOM 875 C ILE B 49 85.366 -4.255 -34.270 1.00 0.00 C ATOM 876 O ILE B 49 85.216 -5.304 -34.896 1.00 0.00 O ATOM 877 CB ILE B 49 84.012 -2.953 -32.581 1.00 0.00 C ATOM 878 CG1 ILE B 49 82.837 -3.031 -33.565 1.00 0.00 C ATOM 879 CG2 ILE B 49 84.775 -1.626 -32.777 1.00 0.00 C ATOM 880 CD1 ILE B 49 81.786 -1.983 -33.195 1.00 0.00 C ATOM 0 H ILE B 49 86.069 -3.345 -31.229 1.00 0.00 H new ATOM 0 HA ILE B 49 84.383 -5.068 -32.563 1.00 0.00 H new ATOM 0 HB ILE B 49 83.641 -2.979 -31.556 1.00 0.00 H new ATOM 0 HG12 ILE B 49 83.190 -2.863 -34.582 1.00 0.00 H new ATOM 0 HG13 ILE B 49 82.396 -4.027 -33.541 1.00 0.00 H new ATOM 0 HG21 ILE B 49 84.097 -0.789 -32.613 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.598 -1.571 -32.064 1.00 0.00 H new ATOM 0 HG23 ILE B 49 85.170 -1.580 -33.792 1.00 0.00 H new ATOM 0 HD11 ILE B 49 80.953 -2.040 -33.895 1.00 0.00 H new ATOM 0 HD12 ILE B 49 81.424 -2.172 -32.184 1.00 0.00 H new ATOM 0 HD13 ILE B 49 82.231 -0.989 -33.242 1.00 0.00 H new ATOM 967 N PRO C 25 94.645 8.766 5.333 1.00 0.00 N ATOM 968 CA PRO C 25 94.785 9.370 3.974 1.00 0.00 C ATOM 969 C PRO C 25 94.922 8.301 2.890 1.00 0.00 C ATOM 970 O PRO C 25 95.410 8.571 1.792 1.00 0.00 O ATOM 971 CB PRO C 25 96.064 10.208 4.096 1.00 0.00 C ATOM 972 CG PRO C 25 96.888 9.489 5.116 1.00 0.00 C ATOM 973 CD PRO C 25 95.892 8.880 6.111 1.00 0.00 C ATOM 0 HA PRO C 25 93.914 9.955 3.680 1.00 0.00 H new ATOM 0 HB2 PRO C 25 96.586 10.277 3.141 1.00 0.00 H new ATOM 0 HB3 PRO C 25 95.842 11.227 4.412 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.497 8.714 4.650 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.572 10.173 5.618 1.00 0.00 H new ATOM 0 HD2 PRO C 25 96.229 7.908 6.471 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.761 9.516 6.986 1.00 0.00 H new ATOM 981 N LEU C 26 94.498 7.108 3.207 1.00 0.00 N ATOM 982 CA LEU C 26 94.578 5.998 2.264 1.00 0.00 C ATOM 983 C LEU C 26 93.696 6.272 1.042 1.00 0.00 C ATOM 984 O LEU C 26 94.126 6.096 -0.099 1.00 0.00 O ATOM 985 CB LEU C 26 94.129 4.700 2.969 1.00 0.00 C ATOM 986 CG LEU C 26 94.819 3.459 2.360 1.00 0.00 C ATOM 987 CD1 LEU C 26 94.642 3.452 0.838 1.00 0.00 C ATOM 988 CD2 LEU C 26 96.323 3.445 2.710 1.00 0.00 C ATOM 0 H LEU C 26 94.091 6.868 4.111 1.00 0.00 H new ATOM 0 HA LEU C 26 95.607 5.887 1.923 1.00 0.00 H new ATOM 0 HB2 LEU C 26 94.362 4.762 4.032 1.00 0.00 H new ATOM 0 HB3 LEU C 26 93.047 4.594 2.885 1.00 0.00 H new ATOM 0 HG LEU C 26 94.354 2.567 2.781 1.00 0.00 H new ATOM 0 HD11 LEU C 26 95.132 2.573 0.419 1.00 0.00 H new ATOM 0 HD12 LEU C 26 93.580 3.425 0.595 1.00 0.00 H new ATOM 0 HD13 LEU C 26 95.088 4.352 0.416 1.00 0.00 H new ATOM 0 HD21 LEU C 26 96.790 2.563 2.272 1.00 0.00 H new ATOM 0 HD22 LEU C 26 96.797 4.342 2.313 1.00 0.00 H new ATOM 0 HD23 LEU C 26 96.444 3.420 3.793 1.00 0.00 H new ATOM 1000 N VAL C 27 92.486 6.693 1.286 1.00 0.00 N ATOM 1001 CA VAL C 27 91.552 6.982 0.204 1.00 0.00 C ATOM 1002 C VAL C 27 91.976 8.227 -0.572 1.00 0.00 C ATOM 1003 O VAL C 27 91.926 8.251 -1.802 1.00 0.00 O ATOM 1004 CB VAL C 27 90.150 7.188 0.778 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.128 7.209 -0.360 1.00 0.00 C ATOM 1006 CG2 VAL C 27 89.822 6.041 1.737 1.00 0.00 C ATOM 0 H VAL C 27 92.112 6.848 2.222 1.00 0.00 H new ATOM 0 HA VAL C 27 91.551 6.135 -0.482 1.00 0.00 H new ATOM 0 HB VAL C 27 90.112 8.136 1.315 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.129 7.356 0.051 1.00 0.00 H new ATOM 0 HG12 VAL C 27 89.362 8.024 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL C 27 89.163 6.262 -0.898 1.00 0.00 H new ATOM 0 HG21 VAL C 27 88.823 6.185 2.148 1.00 0.00 H new ATOM 0 HG22 VAL C 27 89.860 5.094 1.198 1.00 0.00 H new ATOM 0 HG23 VAL C 27 90.550 6.026 2.549 1.00 0.00 H new ATOM 1016 N VAL C 28 92.381 9.239 0.142 1.00 0.00 N ATOM 1017 CA VAL C 28 92.810 10.484 -0.486 1.00 0.00 C ATOM 1018 C VAL C 28 94.060 10.256 -1.329 1.00 0.00 C ATOM 1019 O VAL C 28 94.172 10.763 -2.445 1.00 0.00 O ATOM 1020 CB VAL C 28 93.101 11.533 0.588 1.00 0.00 C ATOM 1021 CG1 VAL C 28 93.584 12.824 -0.074 1.00 0.00 C ATOM 1022 CG2 VAL C 28 91.823 11.814 1.385 1.00 0.00 C ATOM 0 H VAL C 28 92.428 9.239 1.161 1.00 0.00 H new ATOM 0 HA VAL C 28 92.009 10.839 -1.135 1.00 0.00 H new ATOM 0 HB VAL C 28 93.874 11.160 1.259 1.00 0.00 H new ATOM 0 HG11 VAL C 28 93.791 13.571 0.693 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.493 12.624 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL C 28 92.812 13.199 -0.747 1.00 0.00 H new ATOM 0 HG21 VAL C 28 92.029 12.562 2.151 1.00 0.00 H new ATOM 0 HG22 VAL C 28 91.050 12.186 0.713 1.00 0.00 H new ATOM 0 HG23 VAL C 28 91.480 10.894 1.859 1.00 0.00 H new ATOM 1032 N ALA C 29 94.982 9.509 -0.790 1.00 0.00 N ATOM 1033 CA ALA C 29 96.228 9.223 -1.493 1.00 0.00 C ATOM 1034 C ALA C 29 95.963 8.462 -2.788 1.00 0.00 C ATOM 1035 O ALA C 29 96.540 8.774 -3.827 1.00 0.00 O ATOM 1036 CB ALA C 29 97.156 8.402 -0.596 1.00 0.00 C ATOM 0 H ALA C 29 94.907 9.081 0.133 1.00 0.00 H new ATOM 0 HA ALA C 29 96.704 10.172 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.084 8.192 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.377 8.965 0.311 1.00 0.00 H new ATOM 0 HB3 ALA C 29 96.669 7.463 -0.331 1.00 0.00 H new ATOM 1042 N ALA C 30 95.112 7.477 -2.720 1.00 0.00 N ATOM 1043 CA ALA C 30 94.787 6.671 -3.896 1.00 0.00 C ATOM 1044 C ALA C 30 94.094 7.509 -4.971 1.00 0.00 C ATOM 1045 O ALA C 30 94.202 7.220 -6.161 1.00 0.00 O ATOM 1046 CB ALA C 30 93.879 5.509 -3.492 1.00 0.00 C ATOM 0 H ALA C 30 94.623 7.201 -1.868 1.00 0.00 H new ATOM 0 HA ALA C 30 95.720 6.287 -4.309 1.00 0.00 H new ATOM 0 HB1 ALA C 30 93.640 4.911 -4.372 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.390 4.886 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA C 30 92.959 5.900 -3.058 1.00 0.00 H new ATOM 1052 N SER C 31 93.383 8.517 -4.548 1.00 0.00 N ATOM 1053 CA SER C 31 92.660 9.378 -5.484 1.00 0.00 C ATOM 1054 C SER C 31 93.597 9.969 -6.537 1.00 0.00 C ATOM 1055 O SER C 31 93.254 10.028 -7.718 1.00 0.00 O ATOM 1056 CB SER C 31 91.973 10.513 -4.724 1.00 0.00 C ATOM 1057 OG SER C 31 91.196 11.282 -5.632 1.00 0.00 O ATOM 0 H SER C 31 93.280 8.774 -3.566 1.00 0.00 H new ATOM 0 HA SER C 31 91.915 8.766 -5.991 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.338 10.107 -3.937 1.00 0.00 H new ATOM 0 HB3 SER C 31 92.717 11.144 -4.239 1.00 0.00 H new ATOM 0 HG SER C 31 90.753 12.010 -5.148 1.00 0.00 H new ATOM 1063 N ILE C 32 94.747 10.411 -6.112 1.00 0.00 N ATOM 1064 CA ILE C 32 95.716 11.012 -7.029 1.00 0.00 C ATOM 1065 C ILE C 32 95.945 10.126 -8.257 1.00 0.00 C ATOM 1066 O ILE C 32 96.278 10.617 -9.335 1.00 0.00 O ATOM 1067 CB ILE C 32 97.050 11.253 -6.296 1.00 0.00 C ATOM 1068 CG1 ILE C 32 97.890 12.289 -7.068 1.00 0.00 C ATOM 1069 CG2 ILE C 32 97.844 9.936 -6.186 1.00 0.00 C ATOM 1070 CD1 ILE C 32 97.240 13.684 -7.005 1.00 0.00 C ATOM 0 H ILE C 32 95.050 10.373 -5.139 1.00 0.00 H new ATOM 0 HA ILE C 32 95.312 11.964 -7.373 1.00 0.00 H new ATOM 0 HB ILE C 32 96.835 11.627 -5.295 1.00 0.00 H new ATOM 0 HG12 ILE C 32 98.895 12.333 -6.648 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.992 11.978 -8.108 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.784 10.120 -5.666 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.259 9.204 -5.629 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.051 9.551 -7.185 1.00 0.00 H new ATOM 0 HD11 ILE C 32 97.853 14.396 -7.558 1.00 0.00 H new ATOM 0 HD12 ILE C 32 96.245 13.642 -7.447 1.00 0.00 H new ATOM 0 HD13 ILE C 32 97.162 14.002 -5.965 1.00 0.00 H new ATOM 1082 N ILE C 33 95.783 8.844 -8.082 1.00 0.00 N ATOM 1083 CA ILE C 33 95.991 7.897 -9.174 1.00 0.00 C ATOM 1084 C ILE C 33 94.891 8.025 -10.232 1.00 0.00 C ATOM 1085 O ILE C 33 95.129 7.774 -11.412 1.00 0.00 O ATOM 1086 CB ILE C 33 96.039 6.456 -8.624 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.132 6.366 -7.532 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.355 5.469 -9.766 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.498 4.903 -7.246 1.00 0.00 C ATOM 0 H ILE C 33 95.507 8.418 -7.197 1.00 0.00 H new ATOM 0 HA ILE C 33 96.944 8.129 -9.649 1.00 0.00 H new ATOM 0 HB ILE C 33 95.072 6.197 -8.194 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.019 6.911 -7.854 1.00 0.00 H new ATOM 0 HG13 ILE C 33 96.779 6.843 -6.618 1.00 0.00 H new ATOM 0 HG21 ILE C 33 96.387 4.454 -9.371 1.00 0.00 H new ATOM 0 HG22 ILE C 33 95.580 5.536 -10.530 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.321 5.718 -10.206 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.268 4.865 -6.475 1.00 0.00 H new ATOM 0 HD12 ILE C 33 96.613 4.367 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE C 33 97.873 4.437 -8.157 1.00 0.00 H new ATOM 1101 N GLY C 34 93.710 8.391 -9.815 1.00 0.00 N ATOM 1102 CA GLY C 34 92.595 8.521 -10.751 1.00 0.00 C ATOM 1103 C GLY C 34 92.788 9.682 -11.723 1.00 0.00 C ATOM 1104 O GLY C 34 92.649 9.516 -12.934 1.00 0.00 O ATOM 0 H GLY C 34 93.482 8.606 -8.844 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.485 7.594 -11.313 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.670 8.667 -10.193 1.00 0.00 H new ATOM 1108 N ILE C 35 93.097 10.835 -11.203 1.00 0.00 N ATOM 1109 CA ILE C 35 93.297 12.008 -12.047 1.00 0.00 C ATOM 1110 C ILE C 35 94.560 11.850 -12.891 1.00 0.00 C ATOM 1111 O ILE C 35 94.659 12.400 -13.989 1.00 0.00 O ATOM 1112 CB ILE C 35 93.398 13.264 -11.171 1.00 0.00 C ATOM 1113 CG1 ILE C 35 93.665 14.507 -12.038 1.00 0.00 C ATOM 1114 CG2 ILE C 35 94.539 13.093 -10.169 1.00 0.00 C ATOM 1115 CD1 ILE C 35 92.556 14.676 -13.085 1.00 0.00 C ATOM 0 H ILE C 35 93.219 11.002 -10.204 1.00 0.00 H new ATOM 0 HA ILE C 35 92.445 12.108 -12.720 1.00 0.00 H new ATOM 0 HB ILE C 35 92.454 13.399 -10.642 1.00 0.00 H new ATOM 0 HG12 ILE C 35 93.717 15.394 -11.407 1.00 0.00 H new ATOM 0 HG13 ILE C 35 94.631 14.412 -12.534 1.00 0.00 H new ATOM 0 HG21 ILE C 35 94.612 13.984 -9.546 1.00 0.00 H new ATOM 0 HG22 ILE C 35 94.343 12.225 -9.539 1.00 0.00 H new ATOM 0 HG23 ILE C 35 95.476 12.948 -10.706 1.00 0.00 H new ATOM 0 HD11 ILE C 35 92.759 15.559 -13.691 1.00 0.00 H new ATOM 0 HD12 ILE C 35 92.524 13.796 -13.727 1.00 0.00 H new ATOM 0 HD13 ILE C 35 91.596 14.793 -12.582 1.00 0.00 H new ATOM 1127 N LEU C 36 95.510 11.124 -12.371 1.00 0.00 N ATOM 1128 CA LEU C 36 96.773 10.913 -13.070 1.00 0.00 C ATOM 1129 C LEU C 36 96.566 10.228 -14.421 1.00 0.00 C ATOM 1130 O LEU C 36 97.120 10.663 -15.430 1.00 0.00 O ATOM 1131 CB LEU C 36 97.710 10.069 -12.193 1.00 0.00 C ATOM 1132 CG LEU C 36 98.999 9.719 -12.952 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.658 10.995 -13.497 1.00 0.00 C ATOM 1134 CD2 LEU C 36 99.966 9.018 -11.992 1.00 0.00 C ATOM 0 H LEU C 36 95.445 10.662 -11.464 1.00 0.00 H new ATOM 0 HA LEU C 36 97.220 11.889 -13.260 1.00 0.00 H new ATOM 0 HB2 LEU C 36 97.956 10.617 -11.283 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.203 9.154 -11.887 1.00 0.00 H new ATOM 0 HG LEU C 36 98.758 9.063 -13.788 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.570 10.733 -14.033 1.00 0.00 H new ATOM 0 HD12 LEU C 36 98.970 11.498 -14.176 1.00 0.00 H new ATOM 0 HD13 LEU C 36 99.902 11.661 -12.669 1.00 0.00 H new ATOM 0 HD21 LEU C 36 100.885 8.765 -12.521 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.198 9.682 -11.160 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.504 8.107 -11.611 1.00 0.00 H new ATOM 1146 N HIS C 37 95.811 9.161 -14.440 1.00 0.00 N ATOM 1147 CA HIS C 37 95.589 8.429 -15.687 1.00 0.00 C ATOM 1148 C HIS C 37 94.960 9.314 -16.763 1.00 0.00 C ATOM 1149 O HIS C 37 95.171 9.090 -17.954 1.00 0.00 O ATOM 1150 CB HIS C 37 94.716 7.189 -15.441 1.00 0.00 C ATOM 1151 CG HIS C 37 93.303 7.587 -15.107 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.585 8.500 -15.864 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.456 7.184 -14.105 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.365 8.616 -15.309 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.234 7.836 -14.234 1.00 0.00 N ATOM 0 H HIS C 37 95.339 8.773 -13.624 1.00 0.00 H new ATOM 0 HA HIS C 37 96.565 8.108 -16.051 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.720 6.554 -16.327 1.00 0.00 H new ATOM 0 HB3 HIS C 37 95.135 6.600 -14.625 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.701 6.469 -13.333 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.586 9.262 -15.687 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.414 7.739 -13.635 1.00 0.00 H new ATOM 1164 N PHE C 38 94.196 10.292 -16.358 1.00 0.00 N ATOM 1165 CA PHE C 38 93.545 11.183 -17.316 1.00 0.00 C ATOM 1166 C PHE C 38 94.569 11.916 -18.178 1.00 0.00 C ATOM 1167 O PHE C 38 94.413 12.005 -19.395 1.00 0.00 O ATOM 1168 CB PHE C 38 92.676 12.200 -16.575 1.00 0.00 C ATOM 1169 CG PHE C 38 91.880 13.006 -17.574 1.00 0.00 C ATOM 1170 CD1 PHE C 38 90.689 12.490 -18.099 1.00 0.00 C ATOM 1171 CD2 PHE C 38 92.331 14.270 -17.973 1.00 0.00 C ATOM 1172 CE1 PHE C 38 89.950 13.239 -19.024 1.00 0.00 C ATOM 1173 CE2 PHE C 38 91.592 15.018 -18.895 1.00 0.00 C ATOM 1174 CZ PHE C 38 90.402 14.503 -19.422 1.00 0.00 C ATOM 0 H PHE C 38 94.002 10.502 -15.379 1.00 0.00 H new ATOM 0 HA PHE C 38 92.921 10.574 -17.970 1.00 0.00 H new ATOM 0 HB2 PHE C 38 92.004 11.687 -15.887 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.302 12.861 -15.975 1.00 0.00 H new ATOM 0 HD1 PHE C 38 90.340 11.515 -17.791 1.00 0.00 H new ATOM 0 HD2 PHE C 38 93.250 14.668 -17.569 1.00 0.00 H new ATOM 0 HE1 PHE C 38 89.032 12.841 -19.430 1.00 0.00 H new ATOM 0 HE2 PHE C 38 91.940 15.994 -19.201 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.833 15.080 -20.135 1.00 0.00 H new ATOM 1184 N ILE C 39 95.594 12.433 -17.557 1.00 0.00 N ATOM 1185 CA ILE C 39 96.623 13.159 -18.295 1.00 0.00 C ATOM 1186 C ILE C 39 97.189 12.294 -19.416 1.00 0.00 C ATOM 1187 O ILE C 39 97.334 12.747 -20.550 1.00 0.00 O ATOM 1188 CB ILE C 39 97.751 13.577 -17.352 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.176 14.425 -16.215 1.00 0.00 C ATOM 1190 CG2 ILE C 39 98.786 14.398 -18.126 1.00 0.00 C ATOM 1191 CD1 ILE C 39 98.251 14.650 -15.150 1.00 0.00 C ATOM 0 H ILE C 39 95.750 12.373 -16.551 1.00 0.00 H new ATOM 0 HA ILE C 39 96.168 14.049 -18.731 1.00 0.00 H new ATOM 0 HB ILE C 39 98.227 12.688 -16.939 1.00 0.00 H new ATOM 0 HG12 ILE C 39 96.827 15.382 -16.602 1.00 0.00 H new ATOM 0 HG13 ILE C 39 96.313 13.925 -15.775 1.00 0.00 H new ATOM 0 HG21 ILE C 39 99.590 14.696 -17.454 1.00 0.00 H new ATOM 0 HG22 ILE C 39 99.195 13.796 -18.937 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.310 15.287 -18.539 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.841 15.254 -14.341 1.00 0.00 H new ATOM 0 HD12 ILE C 39 98.579 13.688 -14.755 1.00 0.00 H new ATOM 0 HD13 ILE C 39 99.101 15.168 -15.595 1.00 0.00 H new ATOM 1203 N ALA C 40 97.498 11.068 -19.097 1.00 0.00 N ATOM 1204 CA ALA C 40 98.041 10.145 -20.087 1.00 0.00 C ATOM 1205 C ALA C 40 96.966 9.756 -21.098 1.00 0.00 C ATOM 1206 O ALA C 40 97.253 9.535 -22.273 1.00 0.00 O ATOM 1207 CB ALA C 40 98.575 8.892 -19.392 1.00 0.00 C ATOM 0 H ALA C 40 97.388 10.673 -18.163 1.00 0.00 H new ATOM 0 HA ALA C 40 98.856 10.640 -20.615 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.979 8.207 -20.137 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.362 9.172 -18.692 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.765 8.403 -18.851 1.00 0.00 H new ATOM 1213 N TRP C 41 95.751 9.656 -20.633 1.00 0.00 N ATOM 1214 CA TRP C 41 94.634 9.270 -21.490 1.00 0.00 C ATOM 1215 C TRP C 41 94.631 10.085 -22.779 1.00 0.00 C ATOM 1216 O TRP C 41 94.179 9.610 -23.821 1.00 0.00 O ATOM 1217 CB TRP C 41 93.319 9.482 -20.736 1.00 0.00 C ATOM 1218 CG TRP C 41 92.219 8.690 -21.370 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.636 8.969 -22.560 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.558 7.497 -20.861 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.658 8.020 -22.811 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.573 7.091 -21.791 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.719 6.737 -19.691 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.774 5.968 -21.566 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.918 5.608 -19.461 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.947 5.225 -20.397 1.00 0.00 C ATOM 0 H TRP C 41 95.496 9.835 -19.662 1.00 0.00 H new ATOM 0 HA TRP C 41 94.742 8.218 -21.753 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.437 9.182 -19.695 1.00 0.00 H new ATOM 0 HB3 TRP C 41 93.060 10.541 -20.736 1.00 0.00 H new ATOM 0 HD1 TRP C 41 91.891 9.795 -23.207 1.00 0.00 H new ATOM 0 HE1 TRP C 41 90.073 8.008 -23.646 1.00 0.00 H new ATOM 0 HE3 TRP C 41 92.464 7.023 -18.964 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 89.028 5.677 -22.291 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 91.050 5.031 -18.558 1.00 0.00 H new ATOM 0 HH2 TRP C 41 89.333 4.356 -20.214 1.00 0.00 H new ATOM 1237 N THR C 42 95.127 11.288 -22.706 1.00 0.00 N ATOM 1238 CA THR C 42 95.174 12.150 -23.884 1.00 0.00 C ATOM 1239 C THR C 42 96.071 11.543 -24.964 1.00 0.00 C ATOM 1240 O THR C 42 95.820 11.713 -26.157 1.00 0.00 O ATOM 1241 CB THR C 42 95.700 13.538 -23.505 1.00 0.00 C ATOM 1242 OG1 THR C 42 96.915 13.403 -22.781 1.00 0.00 O ATOM 1243 CG2 THR C 42 94.667 14.265 -22.643 1.00 0.00 C ATOM 0 H THR C 42 95.506 11.704 -21.855 1.00 0.00 H new ATOM 0 HA THR C 42 94.161 12.241 -24.277 1.00 0.00 H new ATOM 0 HB THR C 42 95.880 14.115 -24.412 1.00 0.00 H new ATOM 0 HG1 THR C 42 96.733 13.474 -21.821 1.00 0.00 H new ATOM 0 HG21 THR C 42 95.046 15.252 -22.376 1.00 0.00 H new ATOM 0 HG22 THR C 42 93.737 14.372 -23.202 1.00 0.00 H new ATOM 0 HG23 THR C 42 94.481 13.690 -21.736 1.00 0.00 H new ATOM 1251 N ILE C 43 97.102 10.855 -24.547 1.00 0.00 N ATOM 1252 CA ILE C 43 98.028 10.240 -25.496 1.00 0.00 C ATOM 1253 C ILE C 43 97.323 9.145 -26.305 1.00 0.00 C ATOM 1254 O ILE C 43 97.452 9.081 -27.523 1.00 0.00 O ATOM 1255 CB ILE C 43 99.249 9.665 -24.747 1.00 0.00 C ATOM 1256 CG1 ILE C 43 100.184 10.809 -24.329 1.00 0.00 C ATOM 1257 CG2 ILE C 43 100.029 8.700 -25.651 1.00 0.00 C ATOM 1258 CD1 ILE C 43 99.410 11.853 -23.520 1.00 0.00 C ATOM 0 H ILE C 43 97.331 10.700 -23.565 1.00 0.00 H new ATOM 0 HA ILE C 43 98.375 11.004 -26.192 1.00 0.00 H new ATOM 0 HB ILE C 43 98.892 9.129 -23.868 1.00 0.00 H new ATOM 0 HG12 ILE C 43 101.009 10.416 -23.735 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.621 11.273 -25.213 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.886 8.304 -25.107 1.00 0.00 H new ATOM 0 HG22 ILE C 43 99.379 7.878 -25.952 1.00 0.00 H new ATOM 0 HG23 ILE C 43 100.376 9.232 -26.537 1.00 0.00 H new ATOM 0 HD11 ILE C 43 100.083 12.660 -23.229 1.00 0.00 H new ATOM 0 HD12 ILE C 43 98.600 12.257 -24.128 1.00 0.00 H new ATOM 0 HD13 ILE C 43 98.995 11.386 -22.627 1.00 0.00 H new ATOM 1270 N GLY C 44 96.613 8.284 -25.639 1.00 0.00 N ATOM 1271 CA GLY C 44 95.934 7.192 -26.328 1.00 0.00 C ATOM 1272 C GLY C 44 95.165 7.693 -27.551 1.00 0.00 C ATOM 1273 O GLY C 44 94.982 6.954 -28.518 1.00 0.00 O ATOM 0 H GLY C 44 96.480 8.303 -24.628 1.00 0.00 H new ATOM 0 HA2 GLY C 44 96.665 6.445 -26.638 1.00 0.00 H new ATOM 0 HA3 GLY C 44 95.246 6.699 -25.641 1.00 0.00 H new ATOM 1277 N HIS C 45 94.717 8.917 -27.505 1.00 0.00 N ATOM 1278 CA HIS C 45 93.961 9.489 -28.617 1.00 0.00 C ATOM 1279 C HIS C 45 94.715 9.355 -29.944 1.00 0.00 C ATOM 1280 O HIS C 45 94.097 9.291 -31.007 1.00 0.00 O ATOM 1281 CB HIS C 45 93.667 10.965 -28.342 1.00 0.00 C ATOM 1282 CG HIS C 45 92.615 11.450 -29.302 1.00 0.00 C ATOM 1283 ND1 HIS C 45 92.762 12.614 -30.038 1.00 0.00 N ATOM 1284 CD2 HIS C 45 91.392 10.933 -29.658 1.00 0.00 C ATOM 1285 CE1 HIS C 45 91.658 12.759 -30.794 1.00 0.00 C ATOM 1286 NE2 HIS C 45 90.792 11.761 -30.600 1.00 0.00 N ATOM 0 H HIS C 45 94.855 9.548 -26.716 1.00 0.00 H new ATOM 0 HA HIS C 45 93.027 8.934 -28.702 1.00 0.00 H new ATOM 0 HB2 HIS C 45 93.326 11.094 -27.315 1.00 0.00 H new ATOM 0 HB3 HIS C 45 94.576 11.556 -28.453 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.963 10.023 -29.266 1.00 0.00 H new ATOM 0 HE1 HIS C 45 91.493 13.582 -31.474 1.00 0.00 H new ATOM 0 HE2 HIS C 45 89.884 11.633 -31.047 1.00 0.00 H new ATOM 1295 N LEU C 46 96.022 9.345 -29.887 1.00 0.00 N ATOM 1296 CA LEU C 46 96.831 9.257 -31.087 1.00 0.00 C ATOM 1297 C LEU C 46 96.307 8.162 -32.026 1.00 0.00 C ATOM 1298 O LEU C 46 96.206 8.373 -33.233 1.00 0.00 O ATOM 1299 CB LEU C 46 98.287 8.942 -30.673 1.00 0.00 C ATOM 1300 CG LEU C 46 99.086 10.239 -30.435 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.663 10.916 -29.126 1.00 0.00 C ATOM 1302 CD2 LEU C 46 100.589 9.919 -30.367 1.00 0.00 C ATOM 0 H LEU C 46 96.556 9.397 -29.020 1.00 0.00 H new ATOM 0 HA LEU C 46 96.784 10.205 -31.622 1.00 0.00 H new ATOM 0 HB2 LEU C 46 98.288 8.338 -29.766 1.00 0.00 H new ATOM 0 HB3 LEU C 46 98.770 8.350 -31.451 1.00 0.00 H new ATOM 0 HG LEU C 46 98.882 10.917 -31.264 1.00 0.00 H new ATOM 0 HD11 LEU C 46 99.243 11.828 -28.984 1.00 0.00 H new ATOM 0 HD12 LEU C 46 97.602 11.164 -29.171 1.00 0.00 H new ATOM 0 HD13 LEU C 46 98.843 10.238 -28.291 1.00 0.00 H new ATOM 0 HD21 LEU C 46 101.150 10.839 -30.199 1.00 0.00 H new ATOM 0 HD22 LEU C 46 100.776 9.225 -29.548 1.00 0.00 H new ATOM 0 HD23 LEU C 46 100.908 9.467 -31.306 1.00 0.00 H new ATOM 1427 N ASP D 24 86.764 -2.424 7.885 1.00 0.00 N ATOM 1428 CA ASP D 24 87.555 -3.498 7.293 1.00 0.00 C ATOM 1429 C ASP D 24 88.487 -2.936 6.214 1.00 0.00 C ATOM 1430 O ASP D 24 88.170 -1.925 5.586 1.00 0.00 O ATOM 1431 CB ASP D 24 86.617 -4.542 6.675 1.00 0.00 C ATOM 1432 CG ASP D 24 85.997 -5.405 7.770 1.00 0.00 C ATOM 1433 OD1 ASP D 24 86.636 -6.363 8.176 1.00 0.00 O ATOM 1434 OD2 ASP D 24 84.893 -5.097 8.187 1.00 0.00 O ATOM 0 HA ASP D 24 88.160 -3.966 8.070 1.00 0.00 H new ATOM 0 HB2 ASP D 24 85.832 -4.045 6.105 1.00 0.00 H new ATOM 0 HB3 ASP D 24 87.169 -5.170 5.976 1.00 0.00 H new ATOM 1439 N PRO D 25 89.622 -3.558 5.982 1.00 0.00 N ATOM 1440 CA PRO D 25 90.595 -3.084 4.948 1.00 0.00 C ATOM 1441 C PRO D 25 90.092 -3.346 3.525 1.00 0.00 C ATOM 1442 O PRO D 25 90.861 -3.726 2.642 1.00 0.00 O ATOM 1443 CB PRO D 25 91.863 -3.895 5.257 1.00 0.00 C ATOM 1444 CG PRO D 25 91.361 -5.160 5.875 1.00 0.00 C ATOM 1445 CD PRO D 25 90.110 -4.771 6.668 1.00 0.00 C ATOM 0 HA PRO D 25 90.757 -2.007 4.987 1.00 0.00 H new ATOM 0 HB2 PRO D 25 92.435 -4.096 4.351 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.522 -3.356 5.937 1.00 0.00 H new ATOM 0 HG2 PRO D 25 91.125 -5.901 5.111 1.00 0.00 H new ATOM 0 HG3 PRO D 25 92.115 -5.603 6.526 1.00 0.00 H new ATOM 0 HD2 PRO D 25 89.364 -5.566 6.654 1.00 0.00 H new ATOM 0 HD3 PRO D 25 90.345 -4.572 7.714 1.00 0.00 H new ATOM 1453 N LEU D 26 88.824 -3.135 3.317 1.00 0.00 N ATOM 1454 CA LEU D 26 88.229 -3.341 2.001 1.00 0.00 C ATOM 1455 C LEU D 26 88.693 -2.264 1.017 1.00 0.00 C ATOM 1456 O LEU D 26 89.010 -2.559 -0.135 1.00 0.00 O ATOM 1457 CB LEU D 26 86.699 -3.319 2.118 1.00 0.00 C ATOM 1458 CG LEU D 26 86.042 -3.446 0.733 1.00 0.00 C ATOM 1459 CD1 LEU D 26 86.530 -4.722 0.029 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.519 -3.505 0.905 1.00 0.00 C ATOM 0 H LEU D 26 88.171 -2.820 4.034 1.00 0.00 H new ATOM 0 HA LEU D 26 88.552 -4.311 1.622 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.367 -4.136 2.759 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.380 -2.391 2.593 1.00 0.00 H new ATOM 0 HG LEU D 26 86.314 -2.584 0.125 1.00 0.00 H new ATOM 0 HD11 LEU D 26 86.058 -4.801 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU D 26 87.612 -4.679 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU D 26 86.266 -5.592 0.630 1.00 0.00 H new ATOM 0 HD21 LEU D 26 84.046 -3.595 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU D 26 84.255 -4.368 1.517 1.00 0.00 H new ATOM 0 HD23 LEU D 26 84.172 -2.594 1.393 1.00 0.00 H new ATOM 1472 N VAL D 27 88.709 -1.039 1.469 1.00 0.00 N ATOM 1473 CA VAL D 27 89.110 0.083 0.624 1.00 0.00 C ATOM 1474 C VAL D 27 90.610 0.069 0.324 1.00 0.00 C ATOM 1475 O VAL D 27 91.027 0.352 -0.798 1.00 0.00 O ATOM 1476 CB VAL D 27 88.739 1.399 1.309 1.00 0.00 C ATOM 1477 CG1 VAL D 27 89.055 2.572 0.378 1.00 0.00 C ATOM 1478 CG2 VAL D 27 87.243 1.395 1.637 1.00 0.00 C ATOM 0 H VAL D 27 88.450 -0.779 2.421 1.00 0.00 H new ATOM 0 HA VAL D 27 88.581 -0.012 -0.324 1.00 0.00 H new ATOM 0 HB VAL D 27 89.315 1.505 2.228 1.00 0.00 H new ATOM 0 HG11 VAL D 27 88.789 3.508 0.869 1.00 0.00 H new ATOM 0 HG12 VAL D 27 90.120 2.574 0.144 1.00 0.00 H new ATOM 0 HG13 VAL D 27 88.481 2.470 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL D 27 86.975 2.332 2.126 1.00 0.00 H new ATOM 0 HG22 VAL D 27 86.669 1.289 0.717 1.00 0.00 H new ATOM 0 HG23 VAL D 27 87.019 0.562 2.303 1.00 0.00 H new ATOM 1488 N VAL D 28 91.401 -0.252 1.312 1.00 0.00 N ATOM 1489 CA VAL D 28 92.850 -0.290 1.124 1.00 0.00 C ATOM 1490 C VAL D 28 93.246 -1.470 0.242 1.00 0.00 C ATOM 1491 O VAL D 28 94.102 -1.344 -0.634 1.00 0.00 O ATOM 1492 CB VAL D 28 93.566 -0.380 2.476 1.00 0.00 C ATOM 1493 CG1 VAL D 28 93.193 -1.686 3.172 1.00 0.00 C ATOM 1494 CG2 VAL D 28 95.079 -0.340 2.255 1.00 0.00 C ATOM 0 H VAL D 28 91.084 -0.491 2.251 1.00 0.00 H new ATOM 0 HA VAL D 28 93.153 0.633 0.629 1.00 0.00 H new ATOM 0 HB VAL D 28 93.263 0.462 3.099 1.00 0.00 H new ATOM 0 HG11 VAL D 28 93.705 -1.745 4.133 1.00 0.00 H new ATOM 0 HG12 VAL D 28 92.115 -1.718 3.332 1.00 0.00 H new ATOM 0 HG13 VAL D 28 93.492 -2.529 2.549 1.00 0.00 H new ATOM 0 HG21 VAL D 28 95.589 -0.404 3.216 1.00 0.00 H new ATOM 0 HG22 VAL D 28 95.378 -1.181 1.629 1.00 0.00 H new ATOM 0 HG23 VAL D 28 95.350 0.594 1.762 1.00 0.00 H new ATOM 1504 N ALA D 29 92.634 -2.598 0.478 1.00 0.00 N ATOM 1505 CA ALA D 29 92.937 -3.796 -0.300 1.00 0.00 C ATOM 1506 C ALA D 29 92.733 -3.540 -1.790 1.00 0.00 C ATOM 1507 O ALA D 29 93.520 -3.996 -2.617 1.00 0.00 O ATOM 1508 CB ALA D 29 92.044 -4.954 0.152 1.00 0.00 C ATOM 0 H ALA D 29 91.923 -2.726 1.198 1.00 0.00 H new ATOM 0 HA ALA D 29 93.982 -4.058 -0.132 1.00 0.00 H new ATOM 0 HB1 ALA D 29 92.277 -5.843 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA D 29 92.220 -5.159 1.208 1.00 0.00 H new ATOM 0 HB3 ALA D 29 90.998 -4.686 0.004 1.00 0.00 H new ATOM 1514 N ALA D 30 91.696 -2.821 -2.118 1.00 0.00 N ATOM 1515 CA ALA D 30 91.401 -2.508 -3.512 1.00 0.00 C ATOM 1516 C ALA D 30 92.535 -1.693 -4.133 1.00 0.00 C ATOM 1517 O ALA D 30 92.775 -1.761 -5.338 1.00 0.00 O ATOM 1518 CB ALA D 30 90.094 -1.720 -3.607 1.00 0.00 C ATOM 0 H ALA D 30 91.032 -2.434 -1.447 1.00 0.00 H new ATOM 0 HA ALA D 30 91.300 -3.445 -4.059 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.882 -1.491 -4.651 1.00 0.00 H new ATOM 0 HB2 ALA D 30 89.280 -2.315 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA D 30 90.187 -0.792 -3.044 1.00 0.00 H new ATOM 1524 N SER D 31 93.206 -0.931 -3.314 1.00 0.00 N ATOM 1525 CA SER D 31 94.304 -0.096 -3.788 1.00 0.00 C ATOM 1526 C SER D 31 95.274 -0.905 -4.647 1.00 0.00 C ATOM 1527 O SER D 31 95.819 -0.396 -5.626 1.00 0.00 O ATOM 1528 CB SER D 31 95.056 0.506 -2.601 1.00 0.00 C ATOM 1529 OG SER D 31 95.948 1.508 -3.069 1.00 0.00 O ATOM 0 H SER D 31 93.021 -0.863 -2.313 1.00 0.00 H new ATOM 0 HA SER D 31 93.882 0.704 -4.397 1.00 0.00 H new ATOM 0 HB2 SER D 31 94.351 0.935 -1.889 1.00 0.00 H new ATOM 0 HB3 SER D 31 95.609 -0.272 -2.074 1.00 0.00 H new ATOM 0 HG SER D 31 96.431 1.897 -2.310 1.00 0.00 H new ATOM 1535 N ILE D 32 95.483 -2.143 -4.285 1.00 0.00 N ATOM 1536 CA ILE D 32 96.394 -3.000 -5.040 1.00 0.00 C ATOM 1537 C ILE D 32 96.006 -3.018 -6.519 1.00 0.00 C ATOM 1538 O ILE D 32 96.862 -3.105 -7.399 1.00 0.00 O ATOM 1539 CB ILE D 32 96.364 -4.430 -4.470 1.00 0.00 C ATOM 1540 CG1 ILE D 32 97.566 -5.240 -5.008 1.00 0.00 C ATOM 1541 CG2 ILE D 32 95.052 -5.122 -4.875 1.00 0.00 C ATOM 1542 CD1 ILE D 32 98.807 -4.994 -4.139 1.00 0.00 C ATOM 0 H ILE D 32 95.044 -2.589 -3.480 1.00 0.00 H new ATOM 0 HA ILE D 32 97.404 -2.601 -4.950 1.00 0.00 H new ATOM 0 HB ILE D 32 96.426 -4.380 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE D 32 97.323 -6.303 -5.015 1.00 0.00 H new ATOM 0 HG13 ILE D 32 97.773 -4.954 -6.039 1.00 0.00 H new ATOM 0 HG21 ILE D 32 95.034 -6.134 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE D 32 94.207 -4.558 -4.481 1.00 0.00 H new ATOM 0 HG23 ILE D 32 94.984 -5.165 -5.962 1.00 0.00 H new ATOM 0 HD11 ILE D 32 99.645 -5.571 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE D 32 99.058 -3.933 -4.155 1.00 0.00 H new ATOM 0 HD13 ILE D 32 98.601 -5.303 -3.114 1.00 0.00 H new ATOM 1554 N ILE D 33 94.731 -2.931 -6.774 1.00 0.00 N ATOM 1555 CA ILE D 33 94.227 -2.928 -8.143 1.00 0.00 C ATOM 1556 C ILE D 33 94.575 -1.608 -8.838 1.00 0.00 C ATOM 1557 O ILE D 33 94.740 -1.562 -10.057 1.00 0.00 O ATOM 1558 CB ILE D 33 92.701 -3.156 -8.148 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.379 -4.463 -7.388 1.00 0.00 C ATOM 1560 CG2 ILE D 33 92.193 -3.257 -9.599 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.955 -4.943 -7.707 1.00 0.00 C ATOM 0 H ILE D 33 94.009 -2.860 -6.057 1.00 0.00 H new ATOM 0 HA ILE D 33 94.702 -3.741 -8.693 1.00 0.00 H new ATOM 0 HB ILE D 33 92.206 -2.318 -7.657 1.00 0.00 H new ATOM 0 HG12 ILE D 33 93.098 -5.235 -7.662 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.481 -4.300 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE D 33 91.115 -3.418 -9.597 1.00 0.00 H new ATOM 0 HG22 ILE D 33 92.421 -2.332 -10.129 1.00 0.00 H new ATOM 0 HG23 ILE D 33 92.683 -4.092 -10.099 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.751 -5.864 -7.161 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.238 -4.178 -7.409 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.865 -5.128 -8.777 1.00 0.00 H new ATOM 1573 N GLY D 34 94.669 -0.554 -8.070 1.00 0.00 N ATOM 1574 CA GLY D 34 94.978 0.765 -8.622 1.00 0.00 C ATOM 1575 C GLY D 34 96.390 0.841 -9.199 1.00 0.00 C ATOM 1576 O GLY D 34 96.593 1.395 -10.279 1.00 0.00 O ATOM 0 H GLY D 34 94.538 -0.570 -7.059 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.257 1.007 -9.402 1.00 0.00 H new ATOM 0 HA3 GLY D 34 94.867 1.517 -7.841 1.00 0.00 H new ATOM 1580 N ILE D 35 97.348 0.305 -8.493 1.00 0.00 N ATOM 1581 CA ILE D 35 98.730 0.343 -8.968 1.00 0.00 C ATOM 1582 C ILE D 35 98.900 -0.541 -10.203 1.00 0.00 C ATOM 1583 O ILE D 35 99.710 -0.247 -11.082 1.00 0.00 O ATOM 1584 CB ILE D 35 99.686 -0.116 -7.861 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.237 -1.474 -7.317 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.682 0.910 -6.726 1.00 0.00 C ATOM 1587 CD1 ILE D 35 100.294 -2.014 -6.350 1.00 0.00 C ATOM 0 H ILE D 35 97.214 -0.161 -7.596 1.00 0.00 H new ATOM 0 HA ILE D 35 98.969 1.371 -9.240 1.00 0.00 H new ATOM 0 HB ILE D 35 100.692 -0.206 -8.271 1.00 0.00 H new ATOM 0 HG12 ILE D 35 98.279 -1.374 -6.806 1.00 0.00 H new ATOM 0 HG13 ILE D 35 99.089 -2.175 -8.138 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.362 0.584 -5.939 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.007 1.877 -7.109 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.674 1.001 -6.321 1.00 0.00 H new ATOM 0 HD11 ILE D 35 99.973 -2.981 -5.963 1.00 0.00 H new ATOM 0 HD12 ILE D 35 101.242 -2.130 -6.875 1.00 0.00 H new ATOM 0 HD13 ILE D 35 100.420 -1.316 -5.522 1.00 0.00 H new ATOM 1599 N LEU D 36 98.151 -1.607 -10.254 1.00 0.00 N ATOM 1600 CA LEU D 36 98.235 -2.530 -11.381 1.00 0.00 C ATOM 1601 C LEU D 36 98.058 -1.781 -12.702 1.00 0.00 C ATOM 1602 O LEU D 36 98.743 -2.060 -13.681 1.00 0.00 O ATOM 1603 CB LEU D 36 97.159 -3.622 -11.253 1.00 0.00 C ATOM 1604 CG LEU D 36 97.549 -4.856 -12.099 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.439 -5.799 -11.279 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.287 -5.615 -12.527 1.00 0.00 C ATOM 0 H LEU D 36 97.474 -1.869 -9.537 1.00 0.00 H new ATOM 0 HA LEU D 36 99.220 -2.996 -11.371 1.00 0.00 H new ATOM 0 HB2 LEU D 36 97.045 -3.910 -10.208 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.196 -3.234 -11.584 1.00 0.00 H new ATOM 0 HG LEU D 36 98.092 -4.514 -12.980 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.707 -6.664 -11.885 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.344 -5.273 -10.976 1.00 0.00 H new ATOM 0 HD13 LEU D 36 97.898 -6.130 -10.392 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.569 -6.483 -13.123 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.742 -5.944 -11.642 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.651 -4.958 -13.121 1.00 0.00 H new ATOM 1618 N HIS D 37 97.139 -0.861 -12.732 1.00 0.00 N ATOM 1619 CA HIS D 37 96.878 -0.100 -13.950 1.00 0.00 C ATOM 1620 C HIS D 37 98.149 0.562 -14.487 1.00 0.00 C ATOM 1621 O HIS D 37 98.386 0.574 -15.693 1.00 0.00 O ATOM 1622 CB HIS D 37 95.833 0.984 -13.675 1.00 0.00 C ATOM 1623 CG HIS D 37 94.642 0.376 -12.991 1.00 0.00 C ATOM 1624 ND1 HIS D 37 93.675 1.151 -12.369 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.247 -0.926 -12.818 1.00 0.00 C ATOM 1626 CE1 HIS D 37 92.755 0.315 -11.856 1.00 0.00 C ATOM 1627 NE2 HIS D 37 93.056 -0.962 -12.101 1.00 0.00 N ATOM 0 H HIS D 37 96.551 -0.609 -11.937 1.00 0.00 H new ATOM 0 HA HIS D 37 96.509 -0.800 -14.700 1.00 0.00 H new ATOM 0 HB2 HIS D 37 96.263 1.767 -13.050 1.00 0.00 H new ATOM 0 HB3 HIS D 37 95.527 1.454 -14.610 1.00 0.00 H new ATOM 0 HD1 HIS D 37 93.664 2.169 -12.311 1.00 0.00 H new ATOM 0 HD2 HIS D 37 94.780 -1.792 -13.183 1.00 0.00 H new ATOM 0 HE1 HIS D 37 91.879 0.638 -11.312 1.00 0.00 H new ATOM 1636 N PHE D 38 98.929 1.129 -13.606 1.00 0.00 N ATOM 1637 CA PHE D 38 100.152 1.830 -14.003 1.00 0.00 C ATOM 1638 C PHE D 38 101.122 0.952 -14.795 1.00 0.00 C ATOM 1639 O PHE D 38 101.650 1.386 -15.820 1.00 0.00 O ATOM 1640 CB PHE D 38 100.862 2.363 -12.757 1.00 0.00 C ATOM 1641 CG PHE D 38 102.113 3.103 -13.167 1.00 0.00 C ATOM 1642 CD1 PHE D 38 102.041 4.452 -13.539 1.00 0.00 C ATOM 1643 CD2 PHE D 38 103.346 2.441 -13.175 1.00 0.00 C ATOM 1644 CE1 PHE D 38 103.201 5.136 -13.919 1.00 0.00 C ATOM 1645 CE2 PHE D 38 104.506 3.125 -13.556 1.00 0.00 C ATOM 1646 CZ PHE D 38 104.434 4.473 -13.928 1.00 0.00 C ATOM 0 H PHE D 38 98.751 1.127 -12.602 1.00 0.00 H new ATOM 0 HA PHE D 38 99.847 2.645 -14.660 1.00 0.00 H new ATOM 0 HB2 PHE D 38 100.198 3.028 -12.204 1.00 0.00 H new ATOM 0 HB3 PHE D 38 101.116 1.539 -12.090 1.00 0.00 H new ATOM 0 HD1 PHE D 38 101.090 4.964 -13.532 1.00 0.00 H new ATOM 0 HD2 PHE D 38 103.402 1.402 -12.887 1.00 0.00 H new ATOM 0 HE1 PHE D 38 103.145 6.176 -14.205 1.00 0.00 H new ATOM 0 HE2 PHE D 38 105.457 2.613 -13.563 1.00 0.00 H new ATOM 0 HZ PHE D 38 105.329 5.001 -14.222 1.00 0.00 H new ATOM 1656 N ILE D 39 101.381 -0.240 -14.332 1.00 0.00 N ATOM 1657 CA ILE D 39 102.325 -1.107 -15.036 1.00 0.00 C ATOM 1658 C ILE D 39 101.805 -1.494 -16.421 1.00 0.00 C ATOM 1659 O ILE D 39 102.551 -1.434 -17.400 1.00 0.00 O ATOM 1660 CB ILE D 39 102.641 -2.367 -14.214 1.00 0.00 C ATOM 1661 CG1 ILE D 39 101.351 -2.969 -13.659 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.566 -2.004 -13.049 1.00 0.00 C ATOM 1663 CD1 ILE D 39 101.662 -4.306 -12.981 1.00 0.00 C ATOM 0 H ILE D 39 100.969 -0.640 -13.489 1.00 0.00 H new ATOM 0 HA ILE D 39 103.247 -0.540 -15.166 1.00 0.00 H new ATOM 0 HB ILE D 39 103.131 -3.095 -14.861 1.00 0.00 H new ATOM 0 HG12 ILE D 39 100.896 -2.284 -12.944 1.00 0.00 H new ATOM 0 HG13 ILE D 39 100.630 -3.116 -14.463 1.00 0.00 H new ATOM 0 HG21 ILE D 39 103.788 -2.899 -12.468 1.00 0.00 H new ATOM 0 HG22 ILE D 39 104.494 -1.584 -13.438 1.00 0.00 H new ATOM 0 HG23 ILE D 39 103.076 -1.270 -12.410 1.00 0.00 H new ATOM 0 HD11 ILE D 39 100.742 -4.736 -12.585 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.098 -4.990 -13.709 1.00 0.00 H new ATOM 0 HD13 ILE D 39 102.368 -4.145 -12.166 1.00 0.00 H new ATOM 1675 N ALA D 40 100.561 -1.886 -16.514 1.00 0.00 N ATOM 1676 CA ALA D 40 99.998 -2.276 -17.804 1.00 0.00 C ATOM 1677 C ALA D 40 99.849 -1.061 -18.715 1.00 0.00 C ATOM 1678 O ALA D 40 100.080 -1.144 -19.921 1.00 0.00 O ATOM 1679 CB ALA D 40 98.637 -2.942 -17.596 1.00 0.00 C ATOM 0 H ALA D 40 99.915 -1.947 -15.727 1.00 0.00 H new ATOM 0 HA ALA D 40 100.677 -2.984 -18.280 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.222 -3.231 -18.562 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.757 -3.828 -16.973 1.00 0.00 H new ATOM 0 HB3 ALA D 40 97.961 -2.242 -17.105 1.00 0.00 H new ATOM 1685 N TRP D 41 99.476 0.048 -18.138 1.00 0.00 N ATOM 1686 CA TRP D 41 99.305 1.280 -18.901 1.00 0.00 C ATOM 1687 C TRP D 41 100.521 1.531 -19.780 1.00 0.00 C ATOM 1688 O TRP D 41 100.422 2.150 -20.839 1.00 0.00 O ATOM 1689 CB TRP D 41 99.115 2.463 -17.951 1.00 0.00 C ATOM 1690 CG TRP D 41 98.834 3.688 -18.749 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.745 4.358 -19.488 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.574 4.397 -18.908 1.00 0.00 C ATOM 1693 NE1 TRP D 41 99.123 5.433 -20.094 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.784 5.500 -19.765 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.280 4.190 -18.396 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.748 6.368 -20.104 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.234 5.065 -18.734 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.469 6.151 -19.588 1.00 0.00 C ATOM 0 H TRP D 41 99.281 0.137 -17.141 1.00 0.00 H new ATOM 0 HA TRP D 41 98.422 1.175 -19.532 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.292 2.265 -17.264 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.010 2.606 -17.345 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.788 4.096 -19.589 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.595 6.096 -20.709 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.090 3.354 -17.739 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.933 7.204 -20.762 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.245 4.900 -18.334 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.661 6.820 -19.847 1.00 0.00 H new ATOM 1709 N THR D 42 101.642 1.049 -19.338 1.00 0.00 N ATOM 1710 CA THR D 42 102.880 1.219 -20.085 1.00 0.00 C ATOM 1711 C THR D 42 102.768 0.592 -21.476 1.00 0.00 C ATOM 1712 O THR D 42 103.397 1.056 -22.426 1.00 0.00 O ATOM 1713 CB THR D 42 104.043 0.578 -19.322 1.00 0.00 C ATOM 1714 OG1 THR D 42 103.921 0.879 -17.939 1.00 0.00 O ATOM 1715 CG2 THR D 42 105.371 1.130 -19.849 1.00 0.00 C ATOM 0 H THR D 42 101.740 0.532 -18.464 1.00 0.00 H new ATOM 0 HA THR D 42 103.066 2.287 -20.200 1.00 0.00 H new ATOM 0 HB THR D 42 104.019 -0.502 -19.465 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.448 0.150 -17.486 1.00 0.00 H new ATOM 0 HG21 THR D 42 106.197 0.672 -19.304 1.00 0.00 H new ATOM 0 HG22 THR D 42 105.465 0.901 -20.910 1.00 0.00 H new ATOM 0 HG23 THR D 42 105.398 2.210 -19.708 1.00 0.00 H new ATOM 1723 N ILE D 43 101.988 -0.451 -21.584 1.00 0.00 N ATOM 1724 CA ILE D 43 101.814 -1.140 -22.863 1.00 0.00 C ATOM 1725 C ILE D 43 101.187 -0.222 -23.913 1.00 0.00 C ATOM 1726 O ILE D 43 101.688 -0.115 -25.033 1.00 0.00 O ATOM 1727 CB ILE D 43 100.918 -2.370 -22.669 1.00 0.00 C ATOM 1728 CG1 ILE D 43 101.619 -3.370 -21.747 1.00 0.00 C ATOM 1729 CG2 ILE D 43 100.646 -3.036 -24.021 1.00 0.00 C ATOM 1730 CD1 ILE D 43 100.625 -4.454 -21.324 1.00 0.00 C ATOM 0 H ILE D 43 101.458 -0.852 -20.810 1.00 0.00 H new ATOM 0 HA ILE D 43 102.799 -1.443 -23.217 1.00 0.00 H new ATOM 0 HB ILE D 43 99.973 -2.057 -22.225 1.00 0.00 H new ATOM 0 HG12 ILE D 43 102.469 -3.820 -22.260 1.00 0.00 H new ATOM 0 HG13 ILE D 43 102.012 -2.858 -20.868 1.00 0.00 H new ATOM 0 HG21 ILE D 43 100.009 -3.909 -23.875 1.00 0.00 H new ATOM 0 HG22 ILE D 43 100.146 -2.328 -24.681 1.00 0.00 H new ATOM 0 HG23 ILE D 43 101.589 -3.346 -24.470 1.00 0.00 H new ATOM 0 HD11 ILE D 43 101.122 -5.167 -20.667 1.00 0.00 H new ATOM 0 HD12 ILE D 43 99.790 -3.995 -20.795 1.00 0.00 H new ATOM 0 HD13 ILE D 43 100.254 -4.972 -22.208 1.00 0.00 H new ATOM 1742 N GLY D 44 100.103 0.410 -23.562 1.00 0.00 N ATOM 1743 CA GLY D 44 99.401 1.292 -24.490 1.00 0.00 C ATOM 1744 C GLY D 44 100.348 2.280 -25.166 1.00 0.00 C ATOM 1745 O GLY D 44 100.102 2.712 -26.292 1.00 0.00 O ATOM 0 H GLY D 44 99.674 0.339 -22.639 1.00 0.00 H new ATOM 0 HA2 GLY D 44 98.899 0.693 -25.250 1.00 0.00 H new ATOM 0 HA3 GLY D 44 98.627 1.841 -23.954 1.00 0.00 H new ATOM 1749 N HIS D 45 101.400 2.637 -24.487 1.00 0.00 N ATOM 1750 CA HIS D 45 102.367 3.585 -25.031 1.00 0.00 C ATOM 1751 C HIS D 45 103.044 3.044 -26.292 1.00 0.00 C ATOM 1752 O HIS D 45 103.485 3.815 -27.142 1.00 0.00 O ATOM 1753 CB HIS D 45 103.432 3.894 -23.976 1.00 0.00 C ATOM 1754 CG HIS D 45 104.451 4.839 -24.548 1.00 0.00 C ATOM 1755 ND1 HIS D 45 105.723 4.424 -24.907 1.00 0.00 N ATOM 1756 CD2 HIS D 45 104.401 6.182 -24.830 1.00 0.00 C ATOM 1757 CE1 HIS D 45 106.383 5.498 -25.378 1.00 0.00 C ATOM 1758 NE2 HIS D 45 105.623 6.596 -25.353 1.00 0.00 N ATOM 0 H HIS D 45 101.622 2.293 -23.553 1.00 0.00 H new ATOM 0 HA HIS D 45 101.828 4.493 -25.301 1.00 0.00 H new ATOM 0 HB2 HIS D 45 102.967 4.335 -23.094 1.00 0.00 H new ATOM 0 HB3 HIS D 45 103.917 2.972 -23.654 1.00 0.00 H new ATOM 0 HD2 HIS D 45 103.544 6.820 -24.670 1.00 0.00 H new ATOM 0 HE1 HIS D 45 107.403 5.475 -25.733 1.00 0.00 H new ATOM 0 HE2 HIS D 45 105.882 7.536 -25.653 1.00 0.00 H new ATOM 1767 N LEU D 46 103.165 1.749 -26.384 1.00 0.00 N ATOM 1768 CA LEU D 46 103.847 1.135 -27.523 1.00 0.00 C ATOM 1769 C LEU D 46 103.366 1.704 -28.865 1.00 0.00 C ATOM 1770 O LEU D 46 104.148 1.788 -29.813 1.00 0.00 O ATOM 1771 CB LEU D 46 103.676 -0.406 -27.477 1.00 0.00 C ATOM 1772 CG LEU D 46 102.357 -0.858 -28.162 1.00 0.00 C ATOM 1773 CD1 LEU D 46 102.595 -1.156 -29.663 1.00 0.00 C ATOM 1774 CD2 LEU D 46 101.822 -2.129 -27.470 1.00 0.00 C ATOM 0 H LEU D 46 102.807 1.088 -25.695 1.00 0.00 H new ATOM 0 HA LEU D 46 104.907 1.377 -27.444 1.00 0.00 H new ATOM 0 HB2 LEU D 46 104.524 -0.881 -27.970 1.00 0.00 H new ATOM 0 HB3 LEU D 46 103.681 -0.742 -26.440 1.00 0.00 H new ATOM 0 HG LEU D 46 101.628 -0.052 -28.073 1.00 0.00 H new ATOM 0 HD11 LEU D 46 101.659 -1.471 -30.124 1.00 0.00 H new ATOM 0 HD12 LEU D 46 102.959 -0.257 -30.159 1.00 0.00 H new ATOM 0 HD13 LEU D 46 103.334 -1.951 -29.763 1.00 0.00 H new ATOM 0 HD21 LEU D 46 100.897 -2.444 -27.952 1.00 0.00 H new ATOM 0 HD22 LEU D 46 102.562 -2.925 -27.549 1.00 0.00 H new ATOM 0 HD23 LEU D 46 101.629 -1.917 -26.418 1.00 0.00 H new