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: B 45 HIS : no HE2:sc= -0.104 K(o=-3.7,f=-2.7) USER MOD Set 1.2: B 48 GLN : amide:sc= -3.61! C(o=-3.7!,f=-2.7!) USER MOD Set 2.1: B 37 HIS : no HD1:sc= -8.53! C(o=-26!,f=-40!) USER MOD Set 2.2: C 37 HIS : no HD1:sc= -17.2! C(o=-26!,f=-32!) USER MOD Set 3.1: A 37 HIS : no HD1:sc= -14.8! C(o=-24!,f=-33!) USER MOD Set 3.2: D 37 HIS : no HE2:sc= -9.05! C(o=-24!,f=-28!) 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= -0.0166 X(o=-0.017,f=0) USER MOD Single : B 31 SER OG : rot 180:sc= -0.137 USER MOD Single : B 42 THR OG1 : rot -87:sc= 0.769 USER MOD Single : B 47 ASN : amide:sc= -2.45! C(o=-2.5!,f=-12!) USER MOD Single : C 31 SER OG : rot -170:sc= -0.198 USER MOD Single : C 42 THR OG1 : rot -77:sc= 0.128 USER MOD Single : C 45 HIS : no HD1:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 42 THR OG1 : rot -109:sc= 0.897 USER MOD Single : D 45 HIS : no HD1:sc= -0.0336 X(o=-0.034,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N PRO A 25 77.772 3.470 2.164 1.00 0.00 N ATOM 24 CA PRO A 25 78.539 2.586 1.234 1.00 0.00 C ATOM 25 C PRO A 25 78.768 3.254 -0.124 1.00 0.00 C ATOM 26 O PRO A 25 78.926 2.579 -1.140 1.00 0.00 O ATOM 27 CB PRO A 25 77.634 1.358 1.103 1.00 0.00 C ATOM 28 CG PRO A 25 76.247 1.895 1.268 1.00 0.00 C ATOM 29 CD PRO A 25 76.359 3.057 2.262 1.00 0.00 C ATOM 0 HA PRO A 25 79.538 2.350 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 25 77.760 0.874 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 25 77.864 0.612 1.864 1.00 0.00 H new ATOM 0 HG2 PRO A 25 75.844 2.235 0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.572 1.125 1.642 1.00 0.00 H new ATOM 0 HD2 PRO A 25 75.685 3.873 2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 25 76.103 2.744 3.274 1.00 0.00 H new ATOM 37 N LEU A 26 78.770 4.559 -0.129 1.00 0.00 N ATOM 38 CA LEU A 26 78.964 5.316 -1.362 1.00 0.00 C ATOM 39 C LEU A 26 80.360 5.083 -1.940 1.00 0.00 C ATOM 40 O LEU A 26 80.514 4.882 -3.145 1.00 0.00 O ATOM 41 CB LEU A 26 78.761 6.811 -1.083 1.00 0.00 C ATOM 42 CG LEU A 26 78.826 7.623 -2.388 1.00 0.00 C ATOM 43 CD1 LEU A 26 77.628 7.285 -3.293 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.807 9.117 -2.043 1.00 0.00 C ATOM 0 H LEU A 26 78.640 5.133 0.704 1.00 0.00 H new ATOM 0 HA LEU A 26 78.233 4.973 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 26 77.797 6.968 -0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 26 79.526 7.164 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 26 79.743 7.373 -2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 26 77.690 7.868 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 26 77.644 6.223 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 26 76.700 7.524 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 26 78.853 9.703 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 26 77.889 9.355 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 26 79.666 9.357 -1.416 1.00 0.00 H new ATOM 56 N VAL A 27 81.357 5.122 -1.097 1.00 0.00 N ATOM 57 CA VAL A 27 82.734 4.925 -1.546 1.00 0.00 C ATOM 58 C VAL A 27 82.980 3.477 -1.962 1.00 0.00 C ATOM 59 O VAL A 27 83.649 3.214 -2.962 1.00 0.00 O ATOM 60 CB VAL A 27 83.705 5.310 -0.430 1.00 0.00 C ATOM 61 CG1 VAL A 27 83.485 4.397 0.777 1.00 0.00 C ATOM 62 CG2 VAL A 27 85.144 5.154 -0.929 1.00 0.00 C ATOM 0 H VAL A 27 81.255 5.287 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 27 82.899 5.563 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 27 83.530 6.346 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 27 84.178 4.672 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 27 82.461 4.506 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 27 83.659 3.361 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 27 85.837 5.428 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.318 4.118 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 27 85.303 5.804 -1.789 1.00 0.00 H new ATOM 72 N VAL A 28 82.454 2.556 -1.201 1.00 0.00 N ATOM 73 CA VAL A 28 82.632 1.139 -1.498 1.00 0.00 C ATOM 74 C VAL A 28 81.991 0.778 -2.833 1.00 0.00 C ATOM 75 O VAL A 28 82.542 -0.002 -3.609 1.00 0.00 O ATOM 76 CB VAL A 28 82.008 0.295 -0.386 1.00 0.00 C ATOM 77 CG1 VAL A 28 82.409 -1.167 -0.573 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.507 0.792 0.972 1.00 0.00 C ATOM 0 H VAL A 28 81.897 2.749 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 28 83.701 0.934 -1.560 1.00 0.00 H new ATOM 0 HB VAL A 28 80.922 0.382 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 28 81.965 -1.770 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 28 82.054 -1.521 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 28 83.495 -1.255 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 28 82.063 0.191 1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 28 83.593 0.704 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 28 82.222 1.836 1.105 1.00 0.00 H new ATOM 88 N ALA A 29 80.845 1.340 -3.087 1.00 0.00 N ATOM 89 CA ALA A 29 80.135 1.071 -4.331 1.00 0.00 C ATOM 90 C ALA A 29 81.012 1.414 -5.534 1.00 0.00 C ATOM 91 O ALA A 29 81.072 0.662 -6.507 1.00 0.00 O ATOM 92 CB ALA A 29 78.845 1.892 -4.386 1.00 0.00 C ATOM 0 H ALA A 29 80.372 1.989 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 29 79.890 0.009 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 29 78.321 1.685 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 29 78.207 1.624 -3.544 1.00 0.00 H new ATOM 0 HB3 ALA A 29 79.087 2.954 -4.334 1.00 0.00 H new ATOM 98 N ALA A 30 81.666 2.540 -5.464 1.00 0.00 N ATOM 99 CA ALA A 30 82.528 2.992 -6.554 1.00 0.00 C ATOM 100 C ALA A 30 83.635 1.981 -6.859 1.00 0.00 C ATOM 101 O ALA A 30 84.005 1.794 -8.018 1.00 0.00 O ATOM 102 CB ALA A 30 83.159 4.338 -6.192 1.00 0.00 C ATOM 0 H ALA A 30 81.627 3.174 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 30 81.907 3.095 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.801 4.670 -7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 30 82.373 5.075 -6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 30 83.753 4.229 -5.285 1.00 0.00 H new ATOM 108 N SER A 31 84.163 1.354 -5.842 1.00 0.00 N ATOM 109 CA SER A 31 85.238 0.383 -6.036 1.00 0.00 C ATOM 110 C SER A 31 84.803 -0.740 -6.976 1.00 0.00 C ATOM 111 O SER A 31 85.561 -1.155 -7.851 1.00 0.00 O ATOM 112 CB SER A 31 85.662 -0.213 -4.693 1.00 0.00 C ATOM 113 OG SER A 31 86.459 -1.367 -4.923 1.00 0.00 O ATOM 0 H SER A 31 83.878 1.488 -4.872 1.00 0.00 H new ATOM 0 HA SER A 31 86.082 0.906 -6.485 1.00 0.00 H new ATOM 0 HB2 SER A 31 86.224 0.522 -4.117 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.783 -0.475 -4.104 1.00 0.00 H new ATOM 0 HG SER A 31 86.734 -1.751 -4.064 1.00 0.00 H new ATOM 119 N ILE A 32 83.608 -1.227 -6.786 1.00 0.00 N ATOM 120 CA ILE A 32 83.096 -2.312 -7.618 1.00 0.00 C ATOM 121 C ILE A 32 83.299 -2.001 -9.099 1.00 0.00 C ATOM 122 O ILE A 32 83.602 -2.890 -9.894 1.00 0.00 O ATOM 123 CB ILE A 32 81.606 -2.525 -7.343 1.00 0.00 C ATOM 124 CG1 ILE A 32 81.397 -2.797 -5.852 1.00 0.00 C ATOM 125 CG2 ILE A 32 81.101 -3.722 -8.151 1.00 0.00 C ATOM 126 CD1 ILE A 32 79.903 -2.759 -5.531 1.00 0.00 C ATOM 0 H ILE A 32 82.962 -0.900 -6.068 1.00 0.00 H new ATOM 0 HA ILE A 32 83.647 -3.219 -7.370 1.00 0.00 H new ATOM 0 HB ILE A 32 81.054 -1.631 -7.633 1.00 0.00 H new ATOM 0 HG12 ILE A 32 81.812 -3.770 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 32 81.926 -2.052 -5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 32 80.040 -3.872 -7.954 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.249 -3.532 -9.214 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.654 -4.616 -7.862 1.00 0.00 H new ATOM 0 HD11 ILE A 32 79.754 -2.953 -4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 32 79.502 -1.777 -5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 32 79.386 -3.521 -6.115 1.00 0.00 H new ATOM 138 N ILE A 33 83.127 -0.759 -9.457 1.00 0.00 N ATOM 139 CA ILE A 33 83.288 -0.340 -10.847 1.00 0.00 C ATOM 140 C ILE A 33 84.738 -0.525 -11.295 1.00 0.00 C ATOM 141 O ILE A 33 85.007 -0.756 -12.474 1.00 0.00 O ATOM 142 CB ILE A 33 82.857 1.135 -11.015 1.00 0.00 C ATOM 143 CG1 ILE A 33 81.386 1.293 -10.557 1.00 0.00 C ATOM 144 CG2 ILE A 33 82.992 1.564 -12.492 1.00 0.00 C ATOM 145 CD1 ILE A 33 80.778 2.594 -11.102 1.00 0.00 C ATOM 0 H ILE A 33 82.875 -0.008 -8.814 1.00 0.00 H new ATOM 0 HA ILE A 33 82.650 -0.963 -11.474 1.00 0.00 H new ATOM 0 HB ILE A 33 83.501 1.769 -10.406 1.00 0.00 H new ATOM 0 HG12 ILE A 33 80.800 0.441 -10.902 1.00 0.00 H new ATOM 0 HG13 ILE A 33 81.338 1.293 -9.468 1.00 0.00 H new ATOM 0 HG21 ILE A 33 82.686 2.605 -12.598 1.00 0.00 H new ATOM 0 HG22 ILE A 33 84.030 1.457 -12.809 1.00 0.00 H new ATOM 0 HG23 ILE A 33 82.356 0.933 -13.114 1.00 0.00 H new ATOM 0 HD11 ILE A 33 79.745 2.681 -10.766 1.00 0.00 H new ATOM 0 HD12 ILE A 33 81.352 3.445 -10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 33 80.805 2.580 -12.192 1.00 0.00 H new ATOM 157 N GLY A 34 85.656 -0.416 -10.374 1.00 0.00 N ATOM 158 CA GLY A 34 87.071 -0.561 -10.701 1.00 0.00 C ATOM 159 C GLY A 34 87.403 -1.961 -11.218 1.00 0.00 C ATOM 160 O GLY A 34 88.055 -2.112 -12.250 1.00 0.00 O ATOM 0 H GLY A 34 85.463 -0.228 -9.390 1.00 0.00 H new ATOM 0 HA2 GLY A 34 87.346 0.177 -11.454 1.00 0.00 H new ATOM 0 HA3 GLY A 34 87.670 -0.351 -9.815 1.00 0.00 H new ATOM 164 N ILE A 35 86.978 -2.962 -10.502 1.00 0.00 N ATOM 165 CA ILE A 35 87.256 -4.342 -10.891 1.00 0.00 C ATOM 166 C ILE A 35 86.679 -4.658 -12.271 1.00 0.00 C ATOM 167 O ILE A 35 87.203 -5.510 -12.990 1.00 0.00 O ATOM 168 CB ILE A 35 86.664 -5.308 -9.857 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.368 -5.123 -8.503 1.00 0.00 C ATOM 170 CG2 ILE A 35 86.869 -6.750 -10.331 1.00 0.00 C ATOM 171 CD1 ILE A 35 86.970 -3.786 -7.856 1.00 0.00 C ATOM 0 H ILE A 35 86.436 -2.863 -9.643 1.00 0.00 H new ATOM 0 HA ILE A 35 88.338 -4.465 -10.934 1.00 0.00 H new ATOM 0 HB ILE A 35 85.600 -5.100 -9.745 1.00 0.00 H new ATOM 0 HG12 ILE A 35 87.107 -5.946 -7.837 1.00 0.00 H new ATOM 0 HG13 ILE A 35 88.448 -5.157 -8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.449 -7.438 -9.597 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.370 -6.892 -11.289 1.00 0.00 H new ATOM 0 HG23 ILE A 35 87.935 -6.948 -10.445 1.00 0.00 H new ATOM 0 HD11 ILE A 35 87.481 -3.678 -6.899 1.00 0.00 H new ATOM 0 HD12 ILE A 35 87.254 -2.965 -8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 35 85.892 -3.766 -7.696 1.00 0.00 H new ATOM 183 N LEU A 36 85.609 -4.001 -12.620 1.00 0.00 N ATOM 184 CA LEU A 36 84.964 -4.247 -13.907 1.00 0.00 C ATOM 185 C LEU A 36 85.869 -3.881 -15.083 1.00 0.00 C ATOM 186 O LEU A 36 86.036 -4.673 -16.006 1.00 0.00 O ATOM 187 CB LEU A 36 83.654 -3.448 -13.991 1.00 0.00 C ATOM 188 CG LEU A 36 82.949 -3.696 -15.358 1.00 0.00 C ATOM 189 CD1 LEU A 36 81.432 -3.823 -15.158 1.00 0.00 C ATOM 190 CD2 LEU A 36 83.222 -2.527 -16.321 1.00 0.00 C ATOM 0 H LEU A 36 85.156 -3.291 -12.044 1.00 0.00 H new ATOM 0 HA LEU A 36 84.755 -5.315 -13.973 1.00 0.00 H new ATOM 0 HB2 LEU A 36 82.991 -3.738 -13.176 1.00 0.00 H new ATOM 0 HB3 LEU A 36 83.861 -2.385 -13.870 1.00 0.00 H new ATOM 0 HG LEU A 36 83.345 -4.620 -15.780 1.00 0.00 H new ATOM 0 HD11 LEU A 36 80.951 -3.996 -16.121 1.00 0.00 H new ATOM 0 HD12 LEU A 36 81.222 -4.660 -14.492 1.00 0.00 H new ATOM 0 HD13 LEU A 36 81.045 -2.904 -14.719 1.00 0.00 H new ATOM 0 HD21 LEU A 36 82.723 -2.715 -17.272 1.00 0.00 H new ATOM 0 HD22 LEU A 36 82.841 -1.602 -15.888 1.00 0.00 H new ATOM 0 HD23 LEU A 36 84.295 -2.435 -16.487 1.00 0.00 H new ATOM 202 N HIS A 37 86.417 -2.697 -15.068 1.00 0.00 N ATOM 203 CA HIS A 37 87.266 -2.255 -16.174 1.00 0.00 C ATOM 204 C HIS A 37 88.358 -3.272 -16.506 1.00 0.00 C ATOM 205 O HIS A 37 88.801 -3.353 -17.651 1.00 0.00 O ATOM 206 CB HIS A 37 87.890 -0.885 -15.869 1.00 0.00 C ATOM 207 CG HIS A 37 88.957 -0.998 -14.810 1.00 0.00 C ATOM 208 ND1 HIS A 37 89.957 -1.958 -14.851 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.201 -0.257 -13.680 1.00 0.00 C ATOM 210 CE1 HIS A 37 90.744 -1.772 -13.777 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.327 -0.748 -13.030 1.00 0.00 N ATOM 0 H HIS A 37 86.301 -2.017 -14.317 1.00 0.00 H new ATOM 0 HA HIS A 37 86.624 -2.165 -17.050 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.320 -0.467 -16.779 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.115 -0.195 -15.536 1.00 0.00 H new ATOM 0 HD2 HIS A 37 88.607 0.581 -13.347 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.608 -2.377 -13.547 1.00 0.00 H new ATOM 0 HE2 HIS A 37 90.745 -0.400 -12.167 1.00 0.00 H new ATOM 220 N PHE A 38 88.799 -4.021 -15.531 1.00 0.00 N ATOM 221 CA PHE A 38 89.857 -5.007 -15.758 1.00 0.00 C ATOM 222 C PHE A 38 89.463 -6.021 -16.823 1.00 0.00 C ATOM 223 O PHE A 38 90.248 -6.308 -17.727 1.00 0.00 O ATOM 224 CB PHE A 38 90.176 -5.734 -14.449 1.00 0.00 C ATOM 225 CG PHE A 38 91.356 -6.653 -14.656 1.00 0.00 C ATOM 226 CD1 PHE A 38 92.659 -6.168 -14.495 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.145 -7.992 -15.006 1.00 0.00 C ATOM 228 CE1 PHE A 38 93.753 -7.022 -14.686 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.239 -8.846 -15.196 1.00 0.00 C ATOM 230 CZ PHE A 38 93.542 -8.361 -15.036 1.00 0.00 C ATOM 0 H PHE A 38 88.454 -3.979 -14.572 1.00 0.00 H new ATOM 0 HA PHE A 38 90.739 -4.474 -16.112 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.398 -5.011 -13.664 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.309 -6.307 -14.119 1.00 0.00 H new ATOM 0 HD1 PHE A 38 92.821 -5.135 -14.224 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.139 -8.366 -15.129 1.00 0.00 H new ATOM 0 HE1 PHE A 38 94.759 -6.648 -14.563 1.00 0.00 H new ATOM 0 HE2 PHE A 38 92.077 -9.879 -15.466 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.385 -9.020 -15.183 1.00 0.00 H new ATOM 240 N ILE A 39 88.285 -6.570 -16.719 1.00 0.00 N ATOM 241 CA ILE A 39 87.853 -7.563 -17.695 1.00 0.00 C ATOM 242 C ILE A 39 88.081 -7.044 -19.114 1.00 0.00 C ATOM 243 O ILE A 39 88.554 -7.771 -19.978 1.00 0.00 O ATOM 244 CB ILE A 39 86.368 -7.931 -17.470 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.076 -9.329 -18.045 1.00 0.00 C ATOM 246 CG2 ILE A 39 85.447 -6.911 -18.156 1.00 0.00 C ATOM 247 CD1 ILE A 39 86.800 -10.423 -17.238 1.00 0.00 C ATOM 0 H ILE A 39 87.608 -6.360 -15.986 1.00 0.00 H new ATOM 0 HA ILE A 39 88.448 -8.467 -17.564 1.00 0.00 H new ATOM 0 HB ILE A 39 86.178 -7.924 -16.397 1.00 0.00 H new ATOM 0 HG12 ILE A 39 85.002 -9.514 -18.032 1.00 0.00 H new ATOM 0 HG13 ILE A 39 86.394 -9.371 -19.087 1.00 0.00 H new ATOM 0 HG21 ILE A 39 84.407 -7.188 -17.986 1.00 0.00 H new ATOM 0 HG22 ILE A 39 85.631 -5.919 -17.743 1.00 0.00 H new ATOM 0 HG23 ILE A 39 85.649 -6.901 -19.227 1.00 0.00 H new ATOM 0 HD11 ILE A 39 86.576 -11.400 -17.667 1.00 0.00 H new ATOM 0 HD12 ILE A 39 87.876 -10.250 -17.273 1.00 0.00 H new ATOM 0 HD13 ILE A 39 86.462 -10.395 -16.202 1.00 0.00 H new ATOM 259 N ALA A 40 87.744 -5.805 -19.338 1.00 0.00 N ATOM 260 CA ALA A 40 87.923 -5.194 -20.649 1.00 0.00 C ATOM 261 C ALA A 40 89.399 -4.911 -20.947 1.00 0.00 C ATOM 262 O ALA A 40 89.814 -4.881 -22.102 1.00 0.00 O ATOM 263 CB ALA A 40 87.135 -3.886 -20.718 1.00 0.00 C ATOM 0 H ALA A 40 87.341 -5.186 -18.634 1.00 0.00 H new ATOM 0 HA ALA A 40 87.555 -5.897 -21.396 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.270 -3.431 -21.699 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.077 -4.090 -20.555 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.495 -3.203 -19.949 1.00 0.00 H new ATOM 269 N TRP A 41 90.161 -4.655 -19.918 1.00 0.00 N ATOM 270 CA TRP A 41 91.578 -4.309 -20.076 1.00 0.00 C ATOM 271 C TRP A 41 92.332 -5.275 -20.992 1.00 0.00 C ATOM 272 O TRP A 41 93.267 -4.872 -21.684 1.00 0.00 O ATOM 273 CB TRP A 41 92.257 -4.274 -18.706 1.00 0.00 C ATOM 274 CG TRP A 41 93.617 -3.679 -18.848 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.675 -4.287 -19.430 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.083 -2.371 -18.413 1.00 0.00 C ATOM 277 NE1 TRP A 41 95.760 -3.431 -19.388 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.445 -2.237 -18.769 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.461 -1.296 -17.752 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.165 -1.078 -18.480 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.183 -0.129 -17.458 1.00 0.00 C ATOM 282 CH2 TRP A 41 95.532 -0.021 -17.823 1.00 0.00 C ATOM 0 H TRP A 41 89.838 -4.676 -18.951 1.00 0.00 H new ATOM 0 HA TRP A 41 91.612 -3.327 -20.547 1.00 0.00 H new ATOM 0 HB2 TRP A 41 91.662 -3.687 -18.007 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.329 -5.282 -18.296 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.673 -5.279 -19.858 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.680 -3.654 -19.768 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.421 -1.369 -17.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.204 -0.999 -18.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 93.697 0.690 -16.948 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.082 0.880 -17.596 1.00 0.00 H new ATOM 293 N THR A 42 91.946 -6.516 -20.994 1.00 0.00 N ATOM 294 CA THR A 42 92.631 -7.505 -21.840 1.00 0.00 C ATOM 295 C THR A 42 92.419 -7.211 -23.332 1.00 0.00 C ATOM 296 O THR A 42 93.301 -7.473 -24.150 1.00 0.00 O ATOM 297 CB THR A 42 92.150 -8.932 -21.516 1.00 0.00 C ATOM 298 OG1 THR A 42 92.155 -9.718 -22.700 1.00 0.00 O ATOM 299 CG2 THR A 42 90.739 -8.878 -20.950 1.00 0.00 C ATOM 0 H THR A 42 91.175 -6.884 -20.437 1.00 0.00 H new ATOM 0 HA THR A 42 93.697 -7.432 -21.623 1.00 0.00 H new ATOM 0 HB THR A 42 92.819 -9.379 -20.781 1.00 0.00 H new ATOM 0 HG1 THR A 42 91.850 -10.626 -22.491 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.400 -9.888 -20.721 1.00 0.00 H new ATOM 0 HG22 THR A 42 90.735 -8.279 -20.039 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.070 -8.428 -21.683 1.00 0.00 H new ATOM 307 N ILE A 43 91.275 -6.681 -23.675 1.00 0.00 N ATOM 308 CA ILE A 43 90.983 -6.370 -25.077 1.00 0.00 C ATOM 309 C ILE A 43 92.129 -5.547 -25.677 1.00 0.00 C ATOM 310 O ILE A 43 92.551 -5.779 -26.806 1.00 0.00 O ATOM 311 CB ILE A 43 89.643 -5.604 -25.187 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.468 -6.591 -25.084 1.00 0.00 C ATOM 313 CG2 ILE A 43 89.548 -4.869 -26.531 1.00 0.00 C ATOM 314 CD1 ILE A 43 88.641 -7.493 -23.859 1.00 0.00 C ATOM 0 H ILE A 43 90.527 -6.452 -23.021 1.00 0.00 H new ATOM 0 HA ILE A 43 90.891 -7.300 -25.638 1.00 0.00 H new ATOM 0 HB ILE A 43 89.599 -4.879 -24.374 1.00 0.00 H new ATOM 0 HG12 ILE A 43 87.529 -6.043 -25.011 1.00 0.00 H new ATOM 0 HG13 ILE A 43 88.414 -7.199 -25.987 1.00 0.00 H new ATOM 0 HG21 ILE A 43 88.599 -4.337 -26.588 1.00 0.00 H new ATOM 0 HG22 ILE A 43 90.369 -4.157 -26.615 1.00 0.00 H new ATOM 0 HG23 ILE A 43 89.609 -5.591 -27.346 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.803 -8.187 -23.797 1.00 0.00 H new ATOM 0 HD12 ILE A 43 89.571 -8.054 -23.949 1.00 0.00 H new ATOM 0 HD13 ILE A 43 88.672 -6.881 -22.958 1.00 0.00 H new ATOM 326 N GLY A 44 92.596 -4.584 -24.941 1.00 0.00 N ATOM 327 CA GLY A 44 93.664 -3.716 -25.426 1.00 0.00 C ATOM 328 C GLY A 44 94.817 -4.513 -26.043 1.00 0.00 C ATOM 329 O GLY A 44 95.513 -4.014 -26.926 1.00 0.00 O ATOM 0 H GLY A 44 92.265 -4.367 -24.001 1.00 0.00 H new ATOM 0 HA2 GLY A 44 93.262 -3.027 -26.169 1.00 0.00 H new ATOM 0 HA3 GLY A 44 94.042 -3.111 -24.602 1.00 0.00 H new ATOM 333 N HIS A 45 95.022 -5.720 -25.586 1.00 0.00 N ATOM 334 CA HIS A 45 96.109 -6.551 -26.109 1.00 0.00 C ATOM 335 C HIS A 45 96.072 -6.633 -27.640 1.00 0.00 C ATOM 336 O HIS A 45 97.114 -6.755 -28.284 1.00 0.00 O ATOM 337 CB HIS A 45 96.012 -7.959 -25.523 1.00 0.00 C ATOM 338 CG HIS A 45 97.265 -8.723 -25.851 1.00 0.00 C ATOM 339 ND1 HIS A 45 97.236 -9.983 -26.425 1.00 0.00 N ATOM 340 CD2 HIS A 45 98.593 -8.414 -25.691 1.00 0.00 C ATOM 341 CE1 HIS A 45 98.511 -10.383 -26.589 1.00 0.00 C ATOM 342 NE2 HIS A 45 99.377 -9.463 -26.158 1.00 0.00 N ATOM 0 H HIS A 45 94.462 -6.161 -24.857 1.00 0.00 H new ATOM 0 HA HIS A 45 97.051 -6.088 -25.816 1.00 0.00 H new ATOM 0 HB2 HIS A 45 95.877 -7.907 -24.443 1.00 0.00 H new ATOM 0 HB3 HIS A 45 95.142 -8.475 -25.929 1.00 0.00 H new ATOM 0 HD2 HIS A 45 98.971 -7.496 -25.267 1.00 0.00 H new ATOM 0 HE1 HIS A 45 98.798 -11.332 -27.017 1.00 0.00 H new ATOM 0 HE2 HIS A 45 100.395 -9.518 -26.169 1.00 0.00 H new ATOM 495 N PRO B 25 83.574 16.489 0.434 1.00 0.00 N ATOM 496 CA PRO B 25 83.470 15.229 -0.364 1.00 0.00 C ATOM 497 C PRO B 25 84.756 14.945 -1.149 1.00 0.00 C ATOM 498 O PRO B 25 84.739 14.813 -2.373 1.00 0.00 O ATOM 499 CB PRO B 25 82.274 15.494 -1.296 1.00 0.00 C ATOM 500 CG PRO B 25 82.220 16.982 -1.443 1.00 0.00 C ATOM 501 CD PRO B 25 82.721 17.559 -0.116 1.00 0.00 C ATOM 0 HA PRO B 25 83.330 14.345 0.258 1.00 0.00 H new ATOM 0 HB2 PRO B 25 82.410 15.007 -2.261 1.00 0.00 H new ATOM 0 HB3 PRO B 25 81.349 15.106 -0.871 1.00 0.00 H new ATOM 0 HG2 PRO B 25 82.844 17.314 -2.273 1.00 0.00 H new ATOM 0 HG3 PRO B 25 81.204 17.316 -1.654 1.00 0.00 H new ATOM 0 HD2 PRO B 25 83.283 18.480 -0.267 1.00 0.00 H new ATOM 0 HD3 PRO B 25 81.895 17.796 0.554 1.00 0.00 H new ATOM 509 N LEU B 26 85.849 14.861 -0.441 1.00 0.00 N ATOM 510 CA LEU B 26 87.141 14.599 -1.068 1.00 0.00 C ATOM 511 C LEU B 26 87.217 13.165 -1.592 1.00 0.00 C ATOM 512 O LEU B 26 87.594 12.934 -2.740 1.00 0.00 O ATOM 513 CB LEU B 26 88.265 14.843 -0.050 1.00 0.00 C ATOM 514 CG LEU B 26 89.640 14.564 -0.678 1.00 0.00 C ATOM 515 CD1 LEU B 26 89.856 15.460 -1.909 1.00 0.00 C ATOM 516 CD2 LEU B 26 90.726 14.853 0.365 1.00 0.00 C ATOM 0 H LEU B 26 85.884 14.969 0.573 1.00 0.00 H new ATOM 0 HA LEU B 26 87.258 15.276 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU B 26 88.224 15.873 0.304 1.00 0.00 H new ATOM 0 HB3 LEU B 26 88.120 14.201 0.819 1.00 0.00 H new ATOM 0 HG LEU B 26 89.690 13.522 -0.993 1.00 0.00 H new ATOM 0 HD11 LEU B 26 90.834 15.252 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU B 26 89.080 15.257 -2.647 1.00 0.00 H new ATOM 0 HD13 LEU B 26 89.808 16.507 -1.610 1.00 0.00 H new ATOM 0 HD21 LEU B 26 91.707 14.659 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU B 26 90.666 15.897 0.674 1.00 0.00 H new ATOM 0 HD23 LEU B 26 90.578 14.209 1.232 1.00 0.00 H new ATOM 528 N VAL B 27 86.872 12.222 -0.756 1.00 0.00 N ATOM 529 CA VAL B 27 86.915 10.813 -1.143 1.00 0.00 C ATOM 530 C VAL B 27 85.823 10.493 -2.158 1.00 0.00 C ATOM 531 O VAL B 27 86.006 9.650 -3.036 1.00 0.00 O ATOM 532 CB VAL B 27 86.742 9.928 0.092 1.00 0.00 C ATOM 533 CG1 VAL B 27 86.778 8.457 -0.326 1.00 0.00 C ATOM 534 CG2 VAL B 27 87.879 10.203 1.080 1.00 0.00 C ATOM 0 H VAL B 27 86.557 12.391 0.199 1.00 0.00 H new ATOM 0 HA VAL B 27 87.884 10.615 -1.602 1.00 0.00 H new ATOM 0 HB VAL B 27 85.786 10.149 0.566 1.00 0.00 H new ATOM 0 HG11 VAL B 27 86.655 7.826 0.554 1.00 0.00 H new ATOM 0 HG12 VAL B 27 85.970 8.259 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL B 27 87.735 8.237 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL B 27 87.756 9.572 1.961 1.00 0.00 H new ATOM 0 HG22 VAL B 27 88.835 9.981 0.605 1.00 0.00 H new ATOM 0 HG23 VAL B 27 87.856 11.251 1.378 1.00 0.00 H new ATOM 544 N VAL B 28 84.712 11.163 -2.037 1.00 0.00 N ATOM 545 CA VAL B 28 83.600 10.945 -2.956 1.00 0.00 C ATOM 546 C VAL B 28 83.956 11.477 -4.341 1.00 0.00 C ATOM 547 O VAL B 28 83.727 10.815 -5.353 1.00 0.00 O ATOM 548 CB VAL B 28 82.346 11.647 -2.434 1.00 0.00 C ATOM 549 CG1 VAL B 28 81.206 11.470 -3.437 1.00 0.00 C ATOM 550 CG2 VAL B 28 81.943 11.037 -1.089 1.00 0.00 C ATOM 0 H VAL B 28 84.540 11.865 -1.318 1.00 0.00 H new ATOM 0 HA VAL B 28 83.404 9.875 -3.027 1.00 0.00 H new ATOM 0 HB VAL B 28 82.552 12.709 -2.304 1.00 0.00 H new ATOM 0 HG11 VAL B 28 80.312 11.971 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL B 28 81.493 11.905 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL B 28 80.999 10.408 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL B 28 81.049 11.537 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL B 28 81.737 9.974 -1.218 1.00 0.00 H new ATOM 0 HG23 VAL B 28 82.755 11.165 -0.374 1.00 0.00 H new ATOM 560 N ALA B 29 84.496 12.663 -4.372 1.00 0.00 N ATOM 561 CA ALA B 29 84.871 13.292 -5.633 1.00 0.00 C ATOM 562 C ALA B 29 85.680 12.326 -6.497 1.00 0.00 C ATOM 563 O ALA B 29 85.591 12.354 -7.723 1.00 0.00 O ATOM 564 CB ALA B 29 85.697 14.550 -5.363 1.00 0.00 C ATOM 0 H ALA B 29 84.692 13.225 -3.543 1.00 0.00 H new ATOM 0 HA ALA B 29 83.960 13.562 -6.167 1.00 0.00 H new ATOM 0 HB1 ALA B 29 85.973 15.014 -6.310 1.00 0.00 H new ATOM 0 HB2 ALA B 29 85.108 15.252 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA B 29 86.599 14.282 -4.814 1.00 0.00 H new ATOM 570 N ALA B 30 86.453 11.485 -5.862 1.00 0.00 N ATOM 571 CA ALA B 30 87.267 10.515 -6.589 1.00 0.00 C ATOM 572 C ALA B 30 86.383 9.524 -7.345 1.00 0.00 C ATOM 573 O ALA B 30 86.758 9.028 -8.407 1.00 0.00 O ATOM 574 CB ALA B 30 88.171 9.756 -5.615 1.00 0.00 C ATOM 0 H ALA B 30 86.544 11.443 -4.847 1.00 0.00 H new ATOM 0 HA ALA B 30 87.881 11.056 -7.309 1.00 0.00 H new ATOM 0 HB1 ALA B 30 88.775 9.035 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA B 30 88.826 10.460 -5.102 1.00 0.00 H new ATOM 0 HB3 ALA B 30 87.557 9.232 -4.883 1.00 0.00 H new ATOM 580 N SER B 31 85.231 9.245 -6.797 1.00 0.00 N ATOM 581 CA SER B 31 84.303 8.309 -7.426 1.00 0.00 C ATOM 582 C SER B 31 83.923 8.787 -8.825 1.00 0.00 C ATOM 583 O SER B 31 83.834 7.992 -9.761 1.00 0.00 O ATOM 584 CB SER B 31 83.040 8.172 -6.575 1.00 0.00 C ATOM 585 OG SER B 31 82.171 7.222 -7.176 1.00 0.00 O ATOM 0 H SER B 31 84.902 9.645 -5.918 1.00 0.00 H new ATOM 0 HA SER B 31 84.796 7.340 -7.505 1.00 0.00 H new ATOM 0 HB2 SER B 31 83.301 7.856 -5.565 1.00 0.00 H new ATOM 0 HB3 SER B 31 82.539 9.136 -6.488 1.00 0.00 H new ATOM 0 HG SER B 31 81.361 7.130 -6.633 1.00 0.00 H new ATOM 591 N ILE B 32 83.706 10.065 -8.955 1.00 0.00 N ATOM 592 CA ILE B 32 83.338 10.646 -10.240 1.00 0.00 C ATOM 593 C ILE B 32 84.321 10.220 -11.328 1.00 0.00 C ATOM 594 O ILE B 32 83.960 10.123 -12.501 1.00 0.00 O ATOM 595 CB ILE B 32 83.321 12.173 -10.133 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.540 12.599 -8.881 1.00 0.00 C ATOM 597 CG2 ILE B 32 82.658 12.769 -11.377 1.00 0.00 C ATOM 598 CD1 ILE B 32 81.168 11.916 -8.853 1.00 0.00 C ATOM 0 H ILE B 32 83.775 10.737 -8.191 1.00 0.00 H new ATOM 0 HA ILE B 32 82.344 10.287 -10.508 1.00 0.00 H new ATOM 0 HB ILE B 32 84.346 12.537 -10.059 1.00 0.00 H new ATOM 0 HG12 ILE B 32 83.103 12.336 -7.986 1.00 0.00 H new ATOM 0 HG13 ILE B 32 82.415 13.682 -8.873 1.00 0.00 H new ATOM 0 HG21 ILE B 32 82.647 13.856 -11.298 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.219 12.475 -12.264 1.00 0.00 H new ATOM 0 HG23 ILE B 32 81.635 12.401 -11.456 1.00 0.00 H new ATOM 0 HD11 ILE B 32 80.625 12.227 -7.960 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.602 12.201 -9.740 1.00 0.00 H new ATOM 0 HD13 ILE B 32 81.300 10.834 -8.839 1.00 0.00 H new ATOM 610 N ILE B 33 85.540 9.973 -10.937 1.00 0.00 N ATOM 611 CA ILE B 33 86.568 9.557 -11.885 1.00 0.00 C ATOM 612 C ILE B 33 86.294 8.133 -12.380 1.00 0.00 C ATOM 613 O ILE B 33 86.649 7.779 -13.503 1.00 0.00 O ATOM 614 CB ILE B 33 87.963 9.640 -11.229 1.00 0.00 C ATOM 615 CG1 ILE B 33 88.188 11.072 -10.687 1.00 0.00 C ATOM 616 CG2 ILE B 33 89.051 9.297 -12.266 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.679 11.323 -10.415 1.00 0.00 C ATOM 0 H ILE B 33 85.858 10.049 -9.971 1.00 0.00 H new ATOM 0 HA ILE B 33 86.545 10.230 -12.742 1.00 0.00 H new ATOM 0 HB ILE B 33 88.021 8.926 -10.407 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.817 11.801 -11.407 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.617 11.212 -9.769 1.00 0.00 H new ATOM 0 HG21 ILE B 33 90.033 9.357 -11.797 1.00 0.00 H new ATOM 0 HG22 ILE B 33 88.890 8.287 -12.642 1.00 0.00 H new ATOM 0 HG23 ILE B 33 89.000 10.004 -13.094 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.814 12.336 -10.035 1.00 0.00 H new ATOM 0 HD12 ILE B 33 90.040 10.607 -9.677 1.00 0.00 H new ATOM 0 HD13 ILE B 33 90.243 11.205 -11.340 1.00 0.00 H new ATOM 629 N GLY B 34 85.679 7.334 -11.548 1.00 0.00 N ATOM 630 CA GLY B 34 85.376 5.951 -11.911 1.00 0.00 C ATOM 631 C GLY B 34 84.374 5.869 -13.061 1.00 0.00 C ATOM 632 O GLY B 34 84.587 5.137 -14.029 1.00 0.00 O ATOM 0 H GLY B 34 85.374 7.605 -10.613 1.00 0.00 H new ATOM 0 HA2 GLY B 34 86.296 5.440 -12.195 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.976 5.427 -11.043 1.00 0.00 H new ATOM 636 N ILE B 35 83.302 6.605 -12.954 1.00 0.00 N ATOM 637 CA ILE B 35 82.279 6.601 -13.996 1.00 0.00 C ATOM 638 C ILE B 35 82.816 7.226 -15.281 1.00 0.00 C ATOM 639 O ILE B 35 82.389 6.875 -16.380 1.00 0.00 O ATOM 640 CB ILE B 35 81.044 7.374 -13.526 1.00 0.00 C ATOM 641 CG1 ILE B 35 81.454 8.783 -13.090 1.00 0.00 C ATOM 642 CG2 ILE B 35 80.403 6.644 -12.344 1.00 0.00 C ATOM 643 CD1 ILE B 35 80.204 9.597 -12.752 1.00 0.00 C ATOM 0 H ILE B 35 83.103 7.218 -12.163 1.00 0.00 H new ATOM 0 HA ILE B 35 82.002 5.566 -14.198 1.00 0.00 H new ATOM 0 HB ILE B 35 80.328 7.441 -14.345 1.00 0.00 H new ATOM 0 HG12 ILE B 35 82.112 8.730 -12.222 1.00 0.00 H new ATOM 0 HG13 ILE B 35 82.015 9.272 -13.886 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.524 7.195 -12.010 1.00 0.00 H new ATOM 0 HG22 ILE B 35 80.107 5.641 -12.653 1.00 0.00 H new ATOM 0 HG23 ILE B 35 81.121 6.575 -11.526 1.00 0.00 H new ATOM 0 HD11 ILE B 35 80.496 10.600 -12.442 1.00 0.00 H new ATOM 0 HD12 ILE B 35 79.563 9.661 -13.631 1.00 0.00 H new ATOM 0 HD13 ILE B 35 79.661 9.110 -11.942 1.00 0.00 H new ATOM 655 N LEU B 36 83.732 8.145 -15.134 1.00 0.00 N ATOM 656 CA LEU B 36 84.314 8.822 -16.289 1.00 0.00 C ATOM 657 C LEU B 36 84.984 7.816 -17.222 1.00 0.00 C ATOM 658 O LEU B 36 84.781 7.850 -18.435 1.00 0.00 O ATOM 659 CB LEU B 36 85.337 9.865 -15.819 1.00 0.00 C ATOM 660 CG LEU B 36 85.889 10.655 -17.017 1.00 0.00 C ATOM 661 CD1 LEU B 36 84.759 11.433 -17.713 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.955 11.636 -16.513 1.00 0.00 C ATOM 0 H LEU B 36 84.099 8.450 -14.232 1.00 0.00 H new ATOM 0 HA LEU B 36 83.516 9.322 -16.838 1.00 0.00 H new ATOM 0 HB2 LEU B 36 84.869 10.548 -15.110 1.00 0.00 H new ATOM 0 HB3 LEU B 36 86.154 9.371 -15.294 1.00 0.00 H new ATOM 0 HG LEU B 36 86.326 9.962 -17.736 1.00 0.00 H new ATOM 0 HD11 LEU B 36 85.166 11.987 -18.559 1.00 0.00 H new ATOM 0 HD12 LEU B 36 84.001 10.734 -18.068 1.00 0.00 H new ATOM 0 HD13 LEU B 36 84.308 12.130 -17.006 1.00 0.00 H new ATOM 0 HD21 LEU B 36 87.355 12.203 -17.354 1.00 0.00 H new ATOM 0 HD22 LEU B 36 86.507 12.321 -15.793 1.00 0.00 H new ATOM 0 HD23 LEU B 36 87.762 11.082 -16.033 1.00 0.00 H new ATOM 674 N HIS B 37 85.776 6.942 -16.661 1.00 0.00 N ATOM 675 CA HIS B 37 86.478 5.938 -17.456 1.00 0.00 C ATOM 676 C HIS B 37 85.509 5.220 -18.395 1.00 0.00 C ATOM 677 O HIS B 37 85.775 5.082 -19.588 1.00 0.00 O ATOM 678 CB HIS B 37 87.147 4.908 -16.521 1.00 0.00 C ATOM 679 CG HIS B 37 88.521 5.375 -16.123 1.00 0.00 C ATOM 680 ND1 HIS B 37 89.394 5.957 -17.029 1.00 0.00 N ATOM 681 CD2 HIS B 37 89.192 5.337 -14.926 1.00 0.00 C ATOM 682 CE1 HIS B 37 90.531 6.241 -16.369 1.00 0.00 C ATOM 683 NE2 HIS B 37 90.461 5.883 -15.084 1.00 0.00 N ATOM 0 H HIS B 37 85.959 6.895 -15.659 1.00 0.00 H new ATOM 0 HA HIS B 37 87.239 6.440 -18.054 1.00 0.00 H new ATOM 0 HB2 HIS B 37 86.534 4.763 -15.632 1.00 0.00 H new ATOM 0 HB3 HIS B 37 87.215 3.943 -17.023 1.00 0.00 H new ATOM 0 HD2 HIS B 37 88.795 4.943 -14.002 1.00 0.00 H new ATOM 0 HE1 HIS B 37 91.396 6.702 -16.823 1.00 0.00 H new ATOM 0 HE2 HIS B 37 91.183 5.988 -14.372 1.00 0.00 H new ATOM 692 N PHE B 38 84.416 4.759 -17.854 1.00 0.00 N ATOM 693 CA PHE B 38 83.427 4.037 -18.644 1.00 0.00 C ATOM 694 C PHE B 38 83.042 4.808 -19.904 1.00 0.00 C ATOM 695 O PHE B 38 82.909 4.221 -20.976 1.00 0.00 O ATOM 696 CB PHE B 38 82.176 3.781 -17.802 1.00 0.00 C ATOM 697 CG PHE B 38 81.256 2.839 -18.540 1.00 0.00 C ATOM 698 CD1 PHE B 38 81.467 1.457 -18.468 1.00 0.00 C ATOM 699 CD2 PHE B 38 80.192 3.346 -19.295 1.00 0.00 C ATOM 700 CE1 PHE B 38 80.615 0.581 -19.152 1.00 0.00 C ATOM 701 CE2 PHE B 38 79.340 2.470 -19.980 1.00 0.00 C ATOM 702 CZ PHE B 38 79.551 1.088 -19.908 1.00 0.00 C ATOM 0 H PHE B 38 84.177 4.865 -16.868 1.00 0.00 H new ATOM 0 HA PHE B 38 83.872 3.090 -18.948 1.00 0.00 H new ATOM 0 HB2 PHE B 38 82.454 3.354 -16.839 1.00 0.00 H new ATOM 0 HB3 PHE B 38 81.664 4.721 -17.598 1.00 0.00 H new ATOM 0 HD1 PHE B 38 82.287 1.066 -17.885 1.00 0.00 H new ATOM 0 HD2 PHE B 38 80.028 4.412 -19.349 1.00 0.00 H new ATOM 0 HE1 PHE B 38 80.779 -0.485 -19.096 1.00 0.00 H new ATOM 0 HE2 PHE B 38 78.520 2.861 -20.564 1.00 0.00 H new ATOM 0 HZ PHE B 38 78.893 0.413 -20.435 1.00 0.00 H new ATOM 712 N ILE B 39 82.847 6.091 -19.774 1.00 0.00 N ATOM 713 CA ILE B 39 82.453 6.908 -20.920 1.00 0.00 C ATOM 714 C ILE B 39 83.509 6.874 -22.025 1.00 0.00 C ATOM 715 O ILE B 39 83.186 6.636 -23.186 1.00 0.00 O ATOM 716 CB ILE B 39 82.221 8.353 -20.479 1.00 0.00 C ATOM 717 CG1 ILE B 39 81.140 8.383 -19.395 1.00 0.00 C ATOM 718 CG2 ILE B 39 81.762 9.185 -21.679 1.00 0.00 C ATOM 719 CD1 ILE B 39 81.051 9.787 -18.794 1.00 0.00 C ATOM 0 H ILE B 39 82.950 6.603 -18.898 1.00 0.00 H new ATOM 0 HA ILE B 39 81.528 6.492 -21.320 1.00 0.00 H new ATOM 0 HB ILE B 39 83.148 8.768 -20.083 1.00 0.00 H new ATOM 0 HG12 ILE B 39 80.178 8.097 -19.820 1.00 0.00 H new ATOM 0 HG13 ILE B 39 81.373 7.657 -18.616 1.00 0.00 H new ATOM 0 HG21 ILE B 39 81.596 10.216 -21.365 1.00 0.00 H new ATOM 0 HG22 ILE B 39 82.529 9.160 -22.453 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.834 8.772 -22.074 1.00 0.00 H new ATOM 0 HD11 ILE B 39 80.281 9.805 -18.023 1.00 0.00 H new ATOM 0 HD12 ILE B 39 82.011 10.056 -18.354 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.798 10.502 -19.576 1.00 0.00 H new ATOM 731 N ALA B 40 84.743 7.119 -21.674 1.00 0.00 N ATOM 732 CA ALA B 40 85.817 7.119 -22.664 1.00 0.00 C ATOM 733 C ALA B 40 86.102 5.705 -23.165 1.00 0.00 C ATOM 734 O ALA B 40 86.381 5.496 -24.345 1.00 0.00 O ATOM 735 CB ALA B 40 87.088 7.709 -22.052 1.00 0.00 C ATOM 0 H ALA B 40 85.041 7.321 -20.720 1.00 0.00 H new ATOM 0 HA ALA B 40 85.498 7.728 -23.510 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.885 7.706 -22.795 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.896 8.733 -21.730 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.391 7.110 -21.193 1.00 0.00 H new ATOM 741 N TRP B 41 86.040 4.761 -22.269 1.00 0.00 N ATOM 742 CA TRP B 41 86.305 3.366 -22.605 1.00 0.00 C ATOM 743 C TRP B 41 85.515 2.940 -23.843 1.00 0.00 C ATOM 744 O TRP B 41 85.942 2.060 -24.590 1.00 0.00 O ATOM 745 CB TRP B 41 85.927 2.478 -21.412 1.00 0.00 C ATOM 746 CG TRP B 41 86.636 1.164 -21.497 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.372 0.190 -22.398 1.00 0.00 C ATOM 748 CD2 TRP B 41 87.718 0.665 -20.660 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.228 -0.871 -22.172 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.076 -0.626 -21.111 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.420 1.202 -19.566 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.092 -1.358 -20.499 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.443 0.466 -18.946 1.00 0.00 C ATOM 754 CH2 TRP B 41 89.778 -0.812 -19.413 1.00 0.00 C ATOM 0 H TRP B 41 85.807 4.921 -21.289 1.00 0.00 H new ATOM 0 HA TRP B 41 87.366 3.255 -22.828 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.187 2.980 -20.480 1.00 0.00 H new ATOM 0 HB3 TRP B 41 84.849 2.317 -21.397 1.00 0.00 H new ATOM 0 HD1 TRP B 41 85.616 0.234 -23.168 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.233 -1.730 -22.722 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.171 2.187 -19.200 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.347 -2.342 -20.863 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 89.974 0.887 -18.105 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.566 -1.374 -18.933 1.00 0.00 H new ATOM 765 N THR B 42 84.387 3.557 -24.051 1.00 0.00 N ATOM 766 CA THR B 42 83.552 3.226 -25.201 1.00 0.00 C ATOM 767 C THR B 42 84.305 3.460 -26.510 1.00 0.00 C ATOM 768 O THR B 42 84.163 2.690 -27.460 1.00 0.00 O ATOM 769 CB THR B 42 82.278 4.073 -25.196 1.00 0.00 C ATOM 770 OG1 THR B 42 82.626 5.448 -25.137 1.00 0.00 O ATOM 771 CG2 THR B 42 81.423 3.705 -23.983 1.00 0.00 C ATOM 0 H THR B 42 84.014 4.291 -23.449 1.00 0.00 H new ATOM 0 HA THR B 42 83.289 2.171 -25.127 1.00 0.00 H new ATOM 0 HB THR B 42 81.710 3.882 -26.107 1.00 0.00 H new ATOM 0 HG1 THR B 42 82.736 5.718 -24.201 1.00 0.00 H new ATOM 0 HG21 THR B 42 80.516 4.309 -23.981 1.00 0.00 H new ATOM 0 HG22 THR B 42 81.156 2.649 -24.033 1.00 0.00 H new ATOM 0 HG23 THR B 42 81.987 3.894 -23.070 1.00 0.00 H new ATOM 779 N ILE B 43 85.078 4.510 -26.559 1.00 0.00 N ATOM 780 CA ILE B 43 85.829 4.831 -27.770 1.00 0.00 C ATOM 781 C ILE B 43 86.888 3.769 -28.067 1.00 0.00 C ATOM 782 O ILE B 43 86.961 3.256 -29.182 1.00 0.00 O ATOM 783 CB ILE B 43 86.510 6.194 -27.603 1.00 0.00 C ATOM 784 CG1 ILE B 43 85.485 7.237 -27.132 1.00 0.00 C ATOM 785 CG2 ILE B 43 87.118 6.635 -28.937 1.00 0.00 C ATOM 786 CD1 ILE B 43 84.265 7.254 -28.061 1.00 0.00 C ATOM 0 H ILE B 43 85.213 5.162 -25.787 1.00 0.00 H new ATOM 0 HA ILE B 43 85.129 4.859 -28.605 1.00 0.00 H new ATOM 0 HB ILE B 43 87.300 6.108 -26.857 1.00 0.00 H new ATOM 0 HG12 ILE B 43 85.170 7.011 -26.113 1.00 0.00 H new ATOM 0 HG13 ILE B 43 85.946 8.224 -27.111 1.00 0.00 H new ATOM 0 HG21 ILE B 43 87.601 7.604 -28.814 1.00 0.00 H new ATOM 0 HG22 ILE B 43 87.855 5.901 -29.261 1.00 0.00 H new ATOM 0 HG23 ILE B 43 86.331 6.714 -29.687 1.00 0.00 H new ATOM 0 HD11 ILE B 43 83.551 7.999 -27.710 1.00 0.00 H new ATOM 0 HD12 ILE B 43 84.582 7.504 -29.074 1.00 0.00 H new ATOM 0 HD13 ILE B 43 83.794 6.271 -28.060 1.00 0.00 H new ATOM 798 N GLY B 44 87.695 3.456 -27.091 1.00 0.00 N ATOM 799 CA GLY B 44 88.751 2.462 -27.275 1.00 0.00 C ATOM 800 C GLY B 44 88.209 1.176 -27.893 1.00 0.00 C ATOM 801 O GLY B 44 88.925 0.466 -28.599 1.00 0.00 O ATOM 0 H GLY B 44 87.653 3.866 -26.158 1.00 0.00 H new ATOM 0 HA2 GLY B 44 89.531 2.873 -27.915 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.213 2.238 -26.313 1.00 0.00 H new ATOM 805 N HIS B 45 86.970 0.887 -27.620 1.00 0.00 N ATOM 806 CA HIS B 45 86.333 -0.317 -28.141 1.00 0.00 C ATOM 807 C HIS B 45 86.396 -0.374 -29.667 1.00 0.00 C ATOM 808 O HIS B 45 86.363 -1.455 -30.254 1.00 0.00 O ATOM 809 CB HIS B 45 84.872 -0.371 -27.693 1.00 0.00 C ATOM 810 CG HIS B 45 84.307 -1.733 -27.991 1.00 0.00 C ATOM 811 ND1 HIS B 45 83.058 -1.905 -28.569 1.00 0.00 N ATOM 812 CD2 HIS B 45 84.808 -2.996 -27.799 1.00 0.00 C ATOM 813 CE1 HIS B 45 82.853 -3.228 -28.703 1.00 0.00 C ATOM 814 NE2 HIS B 45 83.889 -3.939 -28.249 1.00 0.00 N ATOM 0 H HIS B 45 86.365 1.465 -27.036 1.00 0.00 H new ATOM 0 HA HIS B 45 86.877 -1.174 -27.744 1.00 0.00 H new ATOM 0 HB2 HIS B 45 84.800 -0.161 -26.626 1.00 0.00 H new ATOM 0 HB3 HIS B 45 84.294 0.395 -28.209 1.00 0.00 H new ATOM 0 HD1 HIS B 45 82.413 -1.164 -28.843 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.770 -3.224 -27.364 1.00 0.00 H new ATOM 0 HE1 HIS B 45 81.959 -3.662 -29.126 1.00 0.00 H new ATOM 823 N LEU B 46 86.450 0.770 -30.293 1.00 0.00 N ATOM 824 CA LEU B 46 86.472 0.829 -31.753 1.00 0.00 C ATOM 825 C LEU B 46 87.496 -0.145 -32.343 1.00 0.00 C ATOM 826 O LEU B 46 87.270 -0.710 -33.414 1.00 0.00 O ATOM 827 CB LEU B 46 86.766 2.278 -32.215 1.00 0.00 C ATOM 828 CG LEU B 46 88.288 2.591 -32.166 1.00 0.00 C ATOM 829 CD1 LEU B 46 88.973 2.228 -33.508 1.00 0.00 C ATOM 830 CD2 LEU B 46 88.508 4.091 -31.880 1.00 0.00 C ATOM 0 H LEU B 46 86.480 1.678 -29.829 1.00 0.00 H new ATOM 0 HA LEU B 46 85.491 0.528 -32.120 1.00 0.00 H new ATOM 0 HB2 LEU B 46 86.396 2.420 -33.231 1.00 0.00 H new ATOM 0 HB3 LEU B 46 86.228 2.981 -31.579 1.00 0.00 H new ATOM 0 HG LEU B 46 88.729 1.991 -31.370 1.00 0.00 H new ATOM 0 HD11 LEU B 46 90.037 2.457 -33.447 1.00 0.00 H new ATOM 0 HD12 LEU B 46 88.841 1.165 -33.708 1.00 0.00 H new ATOM 0 HD13 LEU B 46 88.523 2.807 -34.314 1.00 0.00 H new ATOM 0 HD21 LEU B 46 89.577 4.302 -31.847 1.00 0.00 H new ATOM 0 HD22 LEU B 46 88.045 4.684 -32.669 1.00 0.00 H new ATOM 0 HD23 LEU B 46 88.058 4.348 -30.921 1.00 0.00 H new ATOM 842 N ASN B 47 88.606 -0.319 -31.681 1.00 0.00 N ATOM 843 CA ASN B 47 89.654 -1.207 -32.186 1.00 0.00 C ATOM 844 C ASN B 47 89.198 -2.668 -32.279 1.00 0.00 C ATOM 845 O ASN B 47 89.400 -3.318 -33.306 1.00 0.00 O ATOM 846 CB ASN B 47 90.888 -1.119 -31.283 1.00 0.00 C ATOM 847 CG ASN B 47 90.600 -1.769 -29.935 1.00 0.00 C ATOM 848 OD1 ASN B 47 89.478 -1.694 -29.434 1.00 0.00 O ATOM 849 ND2 ASN B 47 91.554 -2.406 -29.313 1.00 0.00 N ATOM 0 H ASN B 47 88.822 0.134 -30.793 1.00 0.00 H new ATOM 0 HA ASN B 47 89.894 -0.874 -33.196 1.00 0.00 H new ATOM 0 HB2 ASN B 47 91.733 -1.614 -31.761 1.00 0.00 H new ATOM 0 HB3 ASN B 47 91.169 -0.076 -31.139 1.00 0.00 H new ATOM 0 HD21 ASN B 47 91.371 -2.843 -28.410 1.00 0.00 H new ATOM 0 HD22 ASN B 47 92.483 -2.467 -29.730 1.00 0.00 H new ATOM 856 N GLN B 48 88.622 -3.184 -31.225 1.00 0.00 N ATOM 857 CA GLN B 48 88.180 -4.576 -31.209 1.00 0.00 C ATOM 858 C GLN B 48 86.999 -4.817 -32.140 1.00 0.00 C ATOM 859 O GLN B 48 87.059 -5.669 -33.027 1.00 0.00 O ATOM 860 CB GLN B 48 87.794 -4.973 -29.781 1.00 0.00 C ATOM 861 CG GLN B 48 87.555 -6.487 -29.700 1.00 0.00 C ATOM 862 CD GLN B 48 86.185 -6.836 -30.269 1.00 0.00 C ATOM 863 OE1 GLN B 48 86.041 -7.834 -30.976 1.00 0.00 O ATOM 864 NE2 GLN B 48 85.163 -6.070 -30.000 1.00 0.00 N ATOM 0 H GLN B 48 88.443 -2.671 -30.362 1.00 0.00 H new ATOM 0 HA GLN B 48 89.009 -5.189 -31.564 1.00 0.00 H new ATOM 0 HB2 GLN B 48 88.585 -4.684 -29.089 1.00 0.00 H new ATOM 0 HB3 GLN B 48 86.894 -4.438 -29.477 1.00 0.00 H new ATOM 0 HG2 GLN B 48 88.332 -7.015 -30.253 1.00 0.00 H new ATOM 0 HG3 GLN B 48 87.621 -6.818 -28.664 1.00 0.00 H new ATOM 0 HE21 GLN B 48 85.285 -5.244 -29.414 1.00 0.00 H new ATOM 0 HE22 GLN B 48 84.242 -6.297 -30.376 1.00 0.00 H new ATOM 873 N ILE B 49 85.942 -4.097 -31.920 1.00 0.00 N ATOM 874 CA ILE B 49 84.740 -4.263 -32.734 1.00 0.00 C ATOM 875 C ILE B 49 85.074 -4.197 -34.225 1.00 0.00 C ATOM 876 O ILE B 49 85.019 -5.212 -34.919 1.00 0.00 O ATOM 877 CB ILE B 49 83.688 -3.201 -32.366 1.00 0.00 C ATOM 878 CG1 ILE B 49 82.478 -3.354 -33.301 1.00 0.00 C ATOM 879 CG2 ILE B 49 84.273 -1.775 -32.487 1.00 0.00 C ATOM 880 CD1 ILE B 49 81.314 -2.511 -32.776 1.00 0.00 C ATOM 0 H ILE B 49 85.870 -3.387 -31.191 1.00 0.00 H new ATOM 0 HA ILE B 49 84.324 -5.249 -32.526 1.00 0.00 H new ATOM 0 HB ILE B 49 83.381 -3.350 -31.331 1.00 0.00 H new ATOM 0 HG12 ILE B 49 82.743 -3.038 -34.310 1.00 0.00 H new ATOM 0 HG13 ILE B 49 82.183 -4.402 -33.362 1.00 0.00 H new ATOM 0 HG21 ILE B 49 83.509 -1.044 -32.221 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.123 -1.672 -31.813 1.00 0.00 H new ATOM 0 HG23 ILE B 49 84.600 -1.602 -33.512 1.00 0.00 H new ATOM 0 HD11 ILE B 49 80.457 -2.621 -33.440 1.00 0.00 H new ATOM 0 HD12 ILE B 49 81.043 -2.848 -31.775 1.00 0.00 H new ATOM 0 HD13 ILE B 49 81.612 -1.463 -32.738 1.00 0.00 H new ATOM 967 N PRO C 25 94.385 9.017 5.820 1.00 0.00 N ATOM 968 CA PRO C 25 94.797 9.649 4.532 1.00 0.00 C ATOM 969 C PRO C 25 95.197 8.607 3.484 1.00 0.00 C ATOM 970 O PRO C 25 95.575 8.953 2.365 1.00 0.00 O ATOM 971 CB PRO C 25 95.994 10.515 4.940 1.00 0.00 C ATOM 972 CG PRO C 25 96.613 9.783 6.089 1.00 0.00 C ATOM 973 CD PRO C 25 95.457 9.095 6.831 1.00 0.00 C ATOM 0 HA PRO C 25 93.992 10.216 4.065 1.00 0.00 H new ATOM 0 HB2 PRO C 25 96.699 10.630 4.117 1.00 0.00 H new ATOM 0 HB3 PRO C 25 95.678 11.517 5.232 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.341 9.051 5.738 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.144 10.470 6.748 1.00 0.00 H new ATOM 0 HD2 PRO C 25 95.743 8.105 7.187 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.143 9.669 7.703 1.00 0.00 H new ATOM 981 N LEU C 26 95.116 7.359 3.853 1.00 0.00 N ATOM 982 CA LEU C 26 95.477 6.278 2.943 1.00 0.00 C ATOM 983 C LEU C 26 94.584 6.294 1.702 1.00 0.00 C ATOM 984 O LEU C 26 95.060 6.099 0.584 1.00 0.00 O ATOM 985 CB LEU C 26 95.342 4.930 3.666 1.00 0.00 C ATOM 986 CG LEU C 26 95.773 3.774 2.747 1.00 0.00 C ATOM 987 CD1 LEU C 26 97.259 3.916 2.372 1.00 0.00 C ATOM 988 CD2 LEU C 26 95.551 2.444 3.481 1.00 0.00 C ATOM 0 H LEU C 26 94.805 7.053 4.775 1.00 0.00 H new ATOM 0 HA LEU C 26 96.510 6.420 2.625 1.00 0.00 H new ATOM 0 HB2 LEU C 26 95.955 4.932 4.567 1.00 0.00 H new ATOM 0 HB3 LEU C 26 94.309 4.784 3.983 1.00 0.00 H new ATOM 0 HG LEU C 26 95.179 3.799 1.833 1.00 0.00 H new ATOM 0 HD11 LEU C 26 97.551 3.091 1.722 1.00 0.00 H new ATOM 0 HD12 LEU C 26 97.414 4.861 1.852 1.00 0.00 H new ATOM 0 HD13 LEU C 26 97.866 3.896 3.277 1.00 0.00 H new ATOM 0 HD21 LEU C 26 95.854 1.618 2.837 1.00 0.00 H new ATOM 0 HD22 LEU C 26 96.146 2.429 4.394 1.00 0.00 H new ATOM 0 HD23 LEU C 26 94.496 2.339 3.733 1.00 0.00 H new ATOM 1000 N VAL C 27 93.314 6.515 1.904 1.00 0.00 N ATOM 1001 CA VAL C 27 92.365 6.544 0.794 1.00 0.00 C ATOM 1002 C VAL C 27 92.570 7.780 -0.081 1.00 0.00 C ATOM 1003 O VAL C 27 92.528 7.693 -1.308 1.00 0.00 O ATOM 1004 CB VAL C 27 90.936 6.532 1.335 1.00 0.00 C ATOM 1005 CG1 VAL C 27 89.948 6.606 0.170 1.00 0.00 C ATOM 1006 CG2 VAL C 27 90.702 5.239 2.120 1.00 0.00 C ATOM 0 H VAL C 27 92.900 6.679 2.822 1.00 0.00 H new ATOM 0 HA VAL C 27 92.536 5.659 0.181 1.00 0.00 H new ATOM 0 HB VAL C 27 90.788 7.390 1.991 1.00 0.00 H new ATOM 0 HG11 VAL C 27 88.929 6.597 0.556 1.00 0.00 H new ATOM 0 HG12 VAL C 27 90.116 7.525 -0.391 1.00 0.00 H new ATOM 0 HG13 VAL C 27 90.095 5.748 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL C 27 89.683 5.228 2.507 1.00 0.00 H new ATOM 0 HG22 VAL C 27 90.850 4.382 1.462 1.00 0.00 H new ATOM 0 HG23 VAL C 27 91.406 5.185 2.950 1.00 0.00 H new ATOM 1016 N VAL C 28 92.786 8.904 0.543 1.00 0.00 N ATOM 1017 CA VAL C 28 92.993 10.147 -0.196 1.00 0.00 C ATOM 1018 C VAL C 28 94.212 10.026 -1.106 1.00 0.00 C ATOM 1019 O VAL C 28 94.182 10.444 -2.264 1.00 0.00 O ATOM 1020 CB VAL C 28 93.191 11.310 0.778 1.00 0.00 C ATOM 1021 CG1 VAL C 28 93.496 12.588 -0.005 1.00 0.00 C ATOM 1022 CG2 VAL C 28 91.916 11.507 1.601 1.00 0.00 C ATOM 0 H VAL C 28 92.826 8.999 1.558 1.00 0.00 H new ATOM 0 HA VAL C 28 92.111 10.337 -0.808 1.00 0.00 H new ATOM 0 HB VAL C 28 94.024 11.087 1.445 1.00 0.00 H new ATOM 0 HG11 VAL C 28 93.637 13.416 0.690 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.404 12.448 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL C 28 92.664 12.813 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL C 28 92.056 12.335 2.296 1.00 0.00 H new ATOM 0 HG22 VAL C 28 91.083 11.729 0.934 1.00 0.00 H new ATOM 0 HG23 VAL C 28 91.700 10.597 2.161 1.00 0.00 H new ATOM 1032 N ALA C 29 95.259 9.459 -0.578 1.00 0.00 N ATOM 1033 CA ALA C 29 96.488 9.281 -1.343 1.00 0.00 C ATOM 1034 C ALA C 29 96.219 8.480 -2.615 1.00 0.00 C ATOM 1035 O ALA C 29 96.653 8.858 -3.702 1.00 0.00 O ATOM 1036 CB ALA C 29 97.529 8.553 -0.491 1.00 0.00 C ATOM 0 H ALA C 29 95.299 9.108 0.379 1.00 0.00 H new ATOM 0 HA ALA C 29 96.867 10.265 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.445 8.423 -1.068 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.743 9.140 0.402 1.00 0.00 H new ATOM 0 HB3 ALA C 29 97.142 7.577 -0.199 1.00 0.00 H new ATOM 1042 N ALA C 30 95.526 7.385 -2.468 1.00 0.00 N ATOM 1043 CA ALA C 30 95.214 6.520 -3.605 1.00 0.00 C ATOM 1044 C ALA C 30 94.462 7.274 -4.705 1.00 0.00 C ATOM 1045 O ALA C 30 94.647 6.995 -5.890 1.00 0.00 O ATOM 1046 CB ALA C 30 94.369 5.335 -3.134 1.00 0.00 C ATOM 0 H ALA C 30 95.159 7.057 -1.574 1.00 0.00 H new ATOM 0 HA ALA C 30 96.158 6.168 -4.022 1.00 0.00 H new ATOM 0 HB1 ALA C 30 94.138 4.692 -3.984 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.924 4.766 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.442 5.702 -2.694 1.00 0.00 H new ATOM 1052 N SER C 31 93.621 8.196 -4.322 1.00 0.00 N ATOM 1053 CA SER C 31 92.842 8.958 -5.298 1.00 0.00 C ATOM 1054 C SER C 31 93.747 9.665 -6.306 1.00 0.00 C ATOM 1055 O SER C 31 93.465 9.677 -7.504 1.00 0.00 O ATOM 1056 CB SER C 31 91.975 9.993 -4.581 1.00 0.00 C ATOM 1057 OG SER C 31 91.196 10.696 -5.538 1.00 0.00 O ATOM 0 H SER C 31 93.448 8.447 -3.349 1.00 0.00 H new ATOM 0 HA SER C 31 92.209 8.255 -5.839 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.326 9.501 -3.857 1.00 0.00 H new ATOM 0 HB3 SER C 31 92.604 10.689 -4.025 1.00 0.00 H new ATOM 0 HG SER C 31 90.760 11.461 -5.107 1.00 0.00 H new ATOM 1063 N ILE C 32 94.801 10.261 -5.822 1.00 0.00 N ATOM 1064 CA ILE C 32 95.724 10.989 -6.691 1.00 0.00 C ATOM 1065 C ILE C 32 96.104 10.133 -7.907 1.00 0.00 C ATOM 1066 O ILE C 32 96.295 10.649 -9.008 1.00 0.00 O ATOM 1067 CB ILE C 32 96.977 11.394 -5.874 1.00 0.00 C ATOM 1068 CG1 ILE C 32 97.572 12.713 -6.404 1.00 0.00 C ATOM 1069 CG2 ILE C 32 98.048 10.295 -5.922 1.00 0.00 C ATOM 1070 CD1 ILE C 32 97.865 12.615 -7.905 1.00 0.00 C ATOM 0 H ILE C 32 95.054 10.265 -4.834 1.00 0.00 H new ATOM 0 HA ILE C 32 95.241 11.892 -7.065 1.00 0.00 H new ATOM 0 HB ILE C 32 96.662 11.533 -4.840 1.00 0.00 H new ATOM 0 HG12 ILE C 32 96.877 13.531 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE C 32 98.490 12.946 -5.864 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.915 10.607 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.643 9.374 -5.504 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.347 10.123 -6.956 1.00 0.00 H new ATOM 0 HD11 ILE C 32 98.284 13.558 -8.256 1.00 0.00 H new ATOM 0 HD12 ILE C 32 98.579 11.811 -8.085 1.00 0.00 H new ATOM 0 HD13 ILE C 32 96.940 12.406 -8.443 1.00 0.00 H new ATOM 1082 N ILE C 33 96.202 8.852 -7.704 1.00 0.00 N ATOM 1083 CA ILE C 33 96.556 7.943 -8.790 1.00 0.00 C ATOM 1084 C ILE C 33 95.476 7.948 -9.873 1.00 0.00 C ATOM 1085 O ILE C 33 95.768 7.712 -11.047 1.00 0.00 O ATOM 1086 CB ILE C 33 96.761 6.511 -8.243 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.877 6.531 -7.167 1.00 0.00 C ATOM 1088 CG2 ILE C 33 97.155 5.555 -9.391 1.00 0.00 C ATOM 1089 CD1 ILE C 33 98.429 5.119 -6.923 1.00 0.00 C ATOM 0 H ILE C 33 96.045 8.400 -6.803 1.00 0.00 H new ATOM 0 HA ILE C 33 97.490 8.286 -9.236 1.00 0.00 H new ATOM 0 HB ILE C 33 95.831 6.158 -7.798 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.684 7.191 -7.486 1.00 0.00 H new ATOM 0 HG13 ILE C 33 97.482 6.937 -6.236 1.00 0.00 H new ATOM 0 HG21 ILE C 33 97.297 4.550 -8.995 1.00 0.00 H new ATOM 0 HG22 ILE C 33 96.364 5.541 -10.141 1.00 0.00 H new ATOM 0 HG23 ILE C 33 98.083 5.899 -9.849 1.00 0.00 H new ATOM 0 HD11 ILE C 33 99.210 5.160 -6.164 1.00 0.00 H new ATOM 0 HD12 ILE C 33 97.625 4.468 -6.581 1.00 0.00 H new ATOM 0 HD13 ILE C 33 98.844 4.725 -7.851 1.00 0.00 H new ATOM 1101 N GLY C 34 94.251 8.194 -9.494 1.00 0.00 N ATOM 1102 CA GLY C 34 93.157 8.192 -10.462 1.00 0.00 C ATOM 1103 C GLY C 34 93.250 9.350 -11.455 1.00 0.00 C ATOM 1104 O GLY C 34 93.172 9.144 -12.663 1.00 0.00 O ATOM 0 H GLY C 34 93.974 8.398 -8.534 1.00 0.00 H new ATOM 0 HA2 GLY C 34 93.161 7.249 -11.008 1.00 0.00 H new ATOM 0 HA3 GLY C 34 92.207 8.249 -9.931 1.00 0.00 H new ATOM 1108 N ILE C 35 93.398 10.544 -10.959 1.00 0.00 N ATOM 1109 CA ILE C 35 93.478 11.710 -11.835 1.00 0.00 C ATOM 1110 C ILE C 35 94.706 11.637 -12.741 1.00 0.00 C ATOM 1111 O ILE C 35 94.703 12.180 -13.846 1.00 0.00 O ATOM 1112 CB ILE C 35 93.522 12.991 -10.996 1.00 0.00 C ATOM 1113 CG1 ILE C 35 93.755 14.200 -11.909 1.00 0.00 C ATOM 1114 CG2 ILE C 35 94.653 12.897 -9.974 1.00 0.00 C ATOM 1115 CD1 ILE C 35 93.481 15.489 -11.133 1.00 0.00 C ATOM 0 H ILE C 35 93.467 10.750 -9.962 1.00 0.00 H new ATOM 0 HA ILE C 35 92.590 11.721 -12.468 1.00 0.00 H new ATOM 0 HB ILE C 35 92.572 13.111 -10.475 1.00 0.00 H new ATOM 0 HG12 ILE C 35 94.780 14.197 -12.279 1.00 0.00 H new ATOM 0 HG13 ILE C 35 93.102 14.142 -12.780 1.00 0.00 H new ATOM 0 HG21 ILE C 35 94.682 13.810 -9.379 1.00 0.00 H new ATOM 0 HG22 ILE C 35 94.482 12.042 -9.320 1.00 0.00 H new ATOM 0 HG23 ILE C 35 95.603 12.772 -10.493 1.00 0.00 H new ATOM 0 HD11 ILE C 35 93.647 16.348 -11.784 1.00 0.00 H new ATOM 0 HD12 ILE C 35 92.448 15.492 -10.785 1.00 0.00 H new ATOM 0 HD13 ILE C 35 94.152 15.548 -10.276 1.00 0.00 H new ATOM 1127 N LEU C 36 95.739 10.995 -12.273 1.00 0.00 N ATOM 1128 CA LEU C 36 96.969 10.887 -13.051 1.00 0.00 C ATOM 1129 C LEU C 36 96.741 10.133 -14.363 1.00 0.00 C ATOM 1130 O LEU C 36 97.135 10.606 -15.428 1.00 0.00 O ATOM 1131 CB LEU C 36 98.037 10.169 -12.216 1.00 0.00 C ATOM 1132 CG LEU C 36 99.352 10.041 -13.003 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.874 11.431 -13.401 1.00 0.00 C ATOM 1134 CD2 LEU C 36 100.388 9.337 -12.120 1.00 0.00 C ATOM 0 H LEU C 36 95.767 10.536 -11.363 1.00 0.00 H new ATOM 0 HA LEU C 36 97.305 11.894 -13.301 1.00 0.00 H new ATOM 0 HB2 LEU C 36 98.213 10.720 -11.292 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.679 9.179 -11.934 1.00 0.00 H new ATOM 0 HG LEU C 36 99.176 9.463 -13.910 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.805 11.324 -13.957 1.00 0.00 H new ATOM 0 HD12 LEU C 36 99.134 11.933 -14.025 1.00 0.00 H new ATOM 0 HD13 LEU C 36 100.053 12.023 -12.504 1.00 0.00 H new ATOM 0 HD21 LEU C 36 101.326 9.240 -12.667 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.554 9.923 -11.216 1.00 0.00 H new ATOM 0 HD23 LEU C 36 100.022 8.347 -11.848 1.00 0.00 H new ATOM 1146 N HIS C 37 96.147 8.973 -14.287 1.00 0.00 N ATOM 1147 CA HIS C 37 95.926 8.177 -15.493 1.00 0.00 C ATOM 1148 C HIS C 37 95.192 8.971 -16.570 1.00 0.00 C ATOM 1149 O HIS C 37 95.366 8.709 -17.759 1.00 0.00 O ATOM 1150 CB HIS C 37 95.158 6.886 -15.172 1.00 0.00 C ATOM 1151 CG HIS C 37 93.772 7.196 -14.677 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.934 8.102 -15.311 1.00 0.00 N ATOM 1153 CD2 HIS C 37 93.062 6.716 -13.607 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.781 8.141 -14.619 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.806 7.315 -13.570 1.00 0.00 N ATOM 0 H HIS C 37 95.807 8.551 -13.423 1.00 0.00 H new ATOM 0 HA HIS C 37 96.909 7.911 -15.882 1.00 0.00 H new ATOM 0 HB2 HIS C 37 95.099 6.262 -16.064 1.00 0.00 H new ATOM 0 HB3 HIS C 37 95.699 6.314 -14.418 1.00 0.00 H new ATOM 0 HD2 HIS C 37 93.423 5.984 -12.900 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.938 8.764 -14.880 1.00 0.00 H new ATOM 0 HE2 HIS C 37 91.064 7.157 -12.888 1.00 0.00 H new ATOM 1164 N PHE C 38 94.372 9.908 -16.173 1.00 0.00 N ATOM 1165 CA PHE C 38 93.617 10.696 -17.142 1.00 0.00 C ATOM 1166 C PHE C 38 94.539 11.399 -18.133 1.00 0.00 C ATOM 1167 O PHE C 38 94.326 11.329 -19.343 1.00 0.00 O ATOM 1168 CB PHE C 38 92.766 11.737 -16.416 1.00 0.00 C ATOM 1169 CG PHE C 38 91.864 12.431 -17.411 1.00 0.00 C ATOM 1170 CD1 PHE C 38 90.760 11.751 -17.942 1.00 0.00 C ATOM 1171 CD2 PHE C 38 92.130 13.748 -17.805 1.00 0.00 C ATOM 1172 CE1 PHE C 38 89.923 12.390 -18.866 1.00 0.00 C ATOM 1173 CE2 PHE C 38 91.293 14.386 -18.730 1.00 0.00 C ATOM 1174 CZ PHE C 38 90.189 13.706 -19.259 1.00 0.00 C ATOM 0 H PHE C 38 94.203 10.151 -15.197 1.00 0.00 H new ATOM 0 HA PHE C 38 92.975 10.012 -17.698 1.00 0.00 H new ATOM 0 HB2 PHE C 38 92.169 11.258 -15.640 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.408 12.466 -15.920 1.00 0.00 H new ATOM 0 HD1 PHE C 38 90.554 10.735 -17.639 1.00 0.00 H new ATOM 0 HD2 PHE C 38 92.981 14.272 -17.396 1.00 0.00 H new ATOM 0 HE1 PHE C 38 89.072 11.866 -19.275 1.00 0.00 H new ATOM 0 HE2 PHE C 38 91.499 15.401 -19.035 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.543 14.198 -19.971 1.00 0.00 H new ATOM 1184 N ILE C 39 95.538 12.071 -17.630 1.00 0.00 N ATOM 1185 CA ILE C 39 96.465 12.787 -18.501 1.00 0.00 C ATOM 1186 C ILE C 39 96.961 11.875 -19.618 1.00 0.00 C ATOM 1187 O ILE C 39 97.041 12.286 -20.776 1.00 0.00 O ATOM 1188 CB ILE C 39 97.657 13.303 -17.691 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.149 14.222 -16.576 1.00 0.00 C ATOM 1190 CG2 ILE C 39 98.603 14.084 -18.610 1.00 0.00 C ATOM 1191 CD1 ILE C 39 98.310 14.613 -15.658 1.00 0.00 C ATOM 0 H ILE C 39 95.741 12.145 -16.633 1.00 0.00 H new ATOM 0 HA ILE C 39 95.938 13.632 -18.943 1.00 0.00 H new ATOM 0 HB ILE C 39 98.194 12.461 -17.254 1.00 0.00 H new ATOM 0 HG12 ILE C 39 96.697 15.115 -17.006 1.00 0.00 H new ATOM 0 HG13 ILE C 39 96.373 13.717 -16.001 1.00 0.00 H new ATOM 0 HG21 ILE C 39 99.451 14.451 -18.032 1.00 0.00 H new ATOM 0 HG22 ILE C 39 98.961 13.429 -19.404 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.070 14.928 -19.048 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.944 15.267 -14.866 1.00 0.00 H new ATOM 0 HD12 ILE C 39 98.743 13.715 -15.216 1.00 0.00 H new ATOM 0 HD13 ILE C 39 99.071 15.136 -16.237 1.00 0.00 H new ATOM 1203 N ALA C 40 97.290 10.663 -19.272 1.00 0.00 N ATOM 1204 CA ALA C 40 97.783 9.708 -20.257 1.00 0.00 C ATOM 1205 C ALA C 40 96.671 9.281 -21.216 1.00 0.00 C ATOM 1206 O ALA C 40 96.931 8.977 -22.380 1.00 0.00 O ATOM 1207 CB ALA C 40 98.347 8.476 -19.546 1.00 0.00 C ATOM 0 H ALA C 40 97.230 10.301 -18.320 1.00 0.00 H new ATOM 0 HA ALA C 40 98.569 10.192 -20.836 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.714 7.765 -20.286 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.167 8.776 -18.893 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.562 8.008 -18.951 1.00 0.00 H new ATOM 1213 N TRP C 41 95.459 9.240 -20.726 1.00 0.00 N ATOM 1214 CA TRP C 41 94.321 8.827 -21.547 1.00 0.00 C ATOM 1215 C TRP C 41 94.230 9.656 -22.827 1.00 0.00 C ATOM 1216 O TRP C 41 93.979 9.119 -23.906 1.00 0.00 O ATOM 1217 CB TRP C 41 93.021 8.972 -20.745 1.00 0.00 C ATOM 1218 CG TRP C 41 91.907 8.248 -21.440 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.376 8.599 -22.635 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.175 7.065 -21.000 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.371 7.705 -22.958 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.209 6.743 -21.982 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.253 6.247 -19.857 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.352 5.650 -21.838 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.390 5.147 -19.709 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.442 4.851 -20.698 1.00 0.00 C ATOM 0 H TRP C 41 95.222 9.485 -19.765 1.00 0.00 H new ATOM 0 HA TRP C 41 94.467 7.784 -21.826 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.157 8.570 -19.741 1.00 0.00 H new ATOM 0 HB3 TRP C 41 92.768 10.026 -20.635 1.00 0.00 H new ATOM 0 HD1 TRP C 41 91.686 9.440 -23.238 1.00 0.00 H new ATOM 0 HE1 TRP C 41 89.817 7.751 -23.813 1.00 0.00 H new ATOM 0 HE3 TRP C 41 91.980 6.466 -19.089 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.625 5.425 -22.604 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.458 4.526 -18.828 1.00 0.00 H new ATOM 0 HH2 TRP C 41 88.782 4.005 -20.578 1.00 0.00 H new ATOM 1237 N THR C 42 94.432 10.941 -22.709 1.00 0.00 N ATOM 1238 CA THR C 42 94.367 11.820 -23.873 1.00 0.00 C ATOM 1239 C THR C 42 95.348 11.355 -24.948 1.00 0.00 C ATOM 1240 O THR C 42 95.043 11.384 -26.138 1.00 0.00 O ATOM 1241 CB THR C 42 94.699 13.262 -23.467 1.00 0.00 C ATOM 1242 OG1 THR C 42 95.866 13.267 -22.658 1.00 0.00 O ATOM 1243 CG2 THR C 42 93.529 13.863 -22.685 1.00 0.00 C ATOM 0 H THR C 42 94.643 11.412 -21.829 1.00 0.00 H new ATOM 0 HA THR C 42 93.354 11.783 -24.275 1.00 0.00 H new ATOM 0 HB THR C 42 94.874 13.858 -24.363 1.00 0.00 H new ATOM 0 HG1 THR C 42 95.636 12.977 -21.750 1.00 0.00 H new ATOM 0 HG21 THR C 42 93.770 14.887 -22.399 1.00 0.00 H new ATOM 0 HG22 THR C 42 92.635 13.861 -23.309 1.00 0.00 H new ATOM 0 HG23 THR C 42 93.347 13.270 -21.789 1.00 0.00 H new ATOM 1251 N ILE C 43 96.509 10.947 -24.519 1.00 0.00 N ATOM 1252 CA ILE C 43 97.544 10.489 -25.441 1.00 0.00 C ATOM 1253 C ILE C 43 97.060 9.303 -26.275 1.00 0.00 C ATOM 1254 O ILE C 43 97.175 9.305 -27.498 1.00 0.00 O ATOM 1255 CB ILE C 43 98.778 10.068 -24.643 1.00 0.00 C ATOM 1256 CG1 ILE C 43 99.151 11.171 -23.644 1.00 0.00 C ATOM 1257 CG2 ILE C 43 99.956 9.813 -25.591 1.00 0.00 C ATOM 1258 CD1 ILE C 43 99.301 12.517 -24.362 1.00 0.00 C ATOM 0 H ILE C 43 96.776 10.917 -23.535 1.00 0.00 H new ATOM 0 HA ILE C 43 97.787 11.309 -26.117 1.00 0.00 H new ATOM 0 HB ILE C 43 98.552 9.150 -24.101 1.00 0.00 H new ATOM 0 HG12 ILE C 43 98.384 11.247 -22.873 1.00 0.00 H new ATOM 0 HG13 ILE C 43 100.083 10.914 -23.141 1.00 0.00 H new ATOM 0 HG21 ILE C 43 100.830 9.514 -25.013 1.00 0.00 H new ATOM 0 HG22 ILE C 43 99.695 9.019 -26.291 1.00 0.00 H new ATOM 0 HG23 ILE C 43 100.182 10.725 -26.144 1.00 0.00 H new ATOM 0 HD11 ILE C 43 99.566 13.288 -23.638 1.00 0.00 H new ATOM 0 HD12 ILE C 43 100.085 12.442 -25.115 1.00 0.00 H new ATOM 0 HD13 ILE C 43 98.359 12.779 -24.844 1.00 0.00 H new ATOM 1270 N GLY C 44 96.535 8.308 -25.623 1.00 0.00 N ATOM 1271 CA GLY C 44 96.056 7.117 -26.319 1.00 0.00 C ATOM 1272 C GLY C 44 95.161 7.480 -27.503 1.00 0.00 C ATOM 1273 O GLY C 44 95.058 6.726 -28.471 1.00 0.00 O ATOM 0 H GLY C 44 96.421 8.283 -24.610 1.00 0.00 H new ATOM 0 HA2 GLY C 44 96.907 6.533 -26.671 1.00 0.00 H new ATOM 0 HA3 GLY C 44 95.502 6.486 -25.623 1.00 0.00 H new ATOM 1277 N HIS C 45 94.511 8.600 -27.402 1.00 0.00 N ATOM 1278 CA HIS C 45 93.591 9.069 -28.434 1.00 0.00 C ATOM 1279 C HIS C 45 94.184 9.055 -29.856 1.00 0.00 C ATOM 1280 O HIS C 45 93.475 8.737 -30.812 1.00 0.00 O ATOM 1281 CB HIS C 45 93.164 10.493 -28.073 1.00 0.00 C ATOM 1282 CG HIS C 45 91.947 10.885 -28.859 1.00 0.00 C ATOM 1283 ND1 HIS C 45 91.826 12.127 -29.460 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.785 10.215 -29.144 1.00 0.00 C ATOM 1285 CE1 HIS C 45 90.629 12.167 -30.071 1.00 0.00 C ATOM 1286 NE2 HIS C 45 89.953 11.025 -29.910 1.00 0.00 N ATOM 0 H HIS C 45 94.594 9.229 -26.603 1.00 0.00 H new ATOM 0 HA HIS C 45 92.747 8.380 -28.457 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.953 10.557 -27.006 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.978 11.188 -28.279 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.551 9.211 -28.823 1.00 0.00 H new ATOM 0 HE1 HIS C 45 90.259 13.018 -30.624 1.00 0.00 H new ATOM 0 HE2 HIS C 45 89.027 10.797 -30.271 1.00 0.00 H new ATOM 1295 N LEU C 46 95.427 9.430 -30.011 1.00 0.00 N ATOM 1296 CA LEU C 46 96.027 9.482 -31.353 1.00 0.00 C ATOM 1297 C LEU C 46 95.958 8.151 -32.122 1.00 0.00 C ATOM 1298 O LEU C 46 96.023 8.160 -33.351 1.00 0.00 O ATOM 1299 CB LEU C 46 97.486 10.031 -31.358 1.00 0.00 C ATOM 1300 CG LEU C 46 98.415 9.422 -30.265 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.087 7.960 -29.965 1.00 0.00 C ATOM 1302 CD2 LEU C 46 99.872 9.487 -30.748 1.00 0.00 C ATOM 0 H LEU C 46 96.049 9.703 -29.250 1.00 0.00 H new ATOM 0 HA LEU C 46 95.398 10.195 -31.886 1.00 0.00 H new ATOM 0 HB2 LEU C 46 97.927 9.842 -32.337 1.00 0.00 H new ATOM 0 HB3 LEU C 46 97.453 11.112 -31.226 1.00 0.00 H new ATOM 0 HG LEU C 46 98.262 10.003 -29.356 1.00 0.00 H new ATOM 0 HD11 LEU C 46 98.764 7.585 -29.197 1.00 0.00 H new ATOM 0 HD12 LEU C 46 97.059 7.883 -29.612 1.00 0.00 H new ATOM 0 HD13 LEU C 46 98.204 7.367 -30.872 1.00 0.00 H new ATOM 0 HD21 LEU C 46 100.527 9.062 -29.987 1.00 0.00 H new ATOM 0 HD22 LEU C 46 99.974 8.919 -31.673 1.00 0.00 H new ATOM 0 HD23 LEU C 46 100.150 10.526 -30.927 1.00 0.00 H new ATOM 1427 N ASP D 24 88.121 -2.905 8.095 1.00 0.00 N ATOM 1428 CA ASP D 24 87.538 -2.569 6.801 1.00 0.00 C ATOM 1429 C ASP D 24 88.616 -2.479 5.722 1.00 0.00 C ATOM 1430 O ASP D 24 88.764 -1.448 5.066 1.00 0.00 O ATOM 1431 CB ASP D 24 86.795 -1.235 6.896 1.00 0.00 C ATOM 1432 CG ASP D 24 85.511 -1.410 7.700 1.00 0.00 C ATOM 1433 OD1 ASP D 24 85.599 -1.482 8.914 1.00 0.00 O ATOM 1434 OD2 ASP D 24 84.456 -1.470 7.088 1.00 0.00 O ATOM 0 HA ASP D 24 86.839 -3.359 6.527 1.00 0.00 H new ATOM 0 HB2 ASP D 24 87.432 -0.488 7.370 1.00 0.00 H new ATOM 0 HB3 ASP D 24 86.561 -0.867 5.897 1.00 0.00 H new ATOM 1439 N PRO D 25 89.358 -3.539 5.523 1.00 0.00 N ATOM 1440 CA PRO D 25 90.438 -3.590 4.493 1.00 0.00 C ATOM 1441 C PRO D 25 89.860 -3.700 3.082 1.00 0.00 C ATOM 1442 O PRO D 25 90.576 -3.981 2.122 1.00 0.00 O ATOM 1443 CB PRO D 25 91.229 -4.849 4.875 1.00 0.00 C ATOM 1444 CG PRO D 25 90.225 -5.739 5.536 1.00 0.00 C ATOM 1445 CD PRO D 25 89.246 -4.810 6.261 1.00 0.00 C ATOM 0 HA PRO D 25 91.053 -2.690 4.477 1.00 0.00 H new ATOM 0 HB2 PRO D 25 91.664 -5.326 3.997 1.00 0.00 H new ATOM 0 HB3 PRO D 25 92.052 -4.611 5.549 1.00 0.00 H new ATOM 0 HG2 PRO D 25 89.706 -6.355 4.801 1.00 0.00 H new ATOM 0 HG3 PRO D 25 90.709 -6.419 6.237 1.00 0.00 H new ATOM 0 HD2 PRO D 25 88.229 -5.201 6.234 1.00 0.00 H new ATOM 0 HD3 PRO D 25 89.513 -4.688 7.311 1.00 0.00 H new ATOM 1453 N LEU D 26 88.580 -3.475 2.979 1.00 0.00 N ATOM 1454 CA LEU D 26 87.898 -3.543 1.691 1.00 0.00 C ATOM 1455 C LEU D 26 88.301 -2.366 0.807 1.00 0.00 C ATOM 1456 O LEU D 26 88.576 -2.536 -0.382 1.00 0.00 O ATOM 1457 CB LEU D 26 86.379 -3.537 1.908 1.00 0.00 C ATOM 1458 CG LEU D 26 85.638 -3.731 0.572 1.00 0.00 C ATOM 1459 CD1 LEU D 26 85.877 -5.150 0.025 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.138 -3.513 0.801 1.00 0.00 C ATOM 0 H LEU D 26 87.975 -3.241 3.767 1.00 0.00 H new ATOM 0 HA LEU D 26 88.189 -4.467 1.191 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.103 -4.331 2.602 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.075 -2.595 2.365 1.00 0.00 H new ATOM 0 HG LEU D 26 86.014 -3.012 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU D 26 85.346 -5.270 -0.919 1.00 0.00 H new ATOM 0 HD12 LEU D 26 86.944 -5.303 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.510 -5.883 0.743 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.603 -3.648 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU D 26 83.773 -4.234 1.533 1.00 0.00 H new ATOM 0 HD23 LEU D 26 83.970 -2.502 1.172 1.00 0.00 H new ATOM 1472 N VAL D 27 88.328 -1.195 1.382 1.00 0.00 N ATOM 1473 CA VAL D 27 88.689 0.009 0.641 1.00 0.00 C ATOM 1474 C VAL D 27 90.175 0.015 0.292 1.00 0.00 C ATOM 1475 O VAL D 27 90.570 0.501 -0.768 1.00 0.00 O ATOM 1476 CB VAL D 27 88.355 1.249 1.470 1.00 0.00 C ATOM 1477 CG1 VAL D 27 89.168 1.232 2.765 1.00 0.00 C ATOM 1478 CG2 VAL D 27 88.700 2.505 0.666 1.00 0.00 C ATOM 0 H VAL D 27 88.105 -1.036 2.365 1.00 0.00 H new ATOM 0 HA VAL D 27 88.116 0.020 -0.286 1.00 0.00 H new ATOM 0 HB VAL D 27 87.292 1.251 1.711 1.00 0.00 H new ATOM 0 HG11 VAL D 27 88.930 2.116 3.356 1.00 0.00 H new ATOM 0 HG12 VAL D 27 88.923 0.337 3.337 1.00 0.00 H new ATOM 0 HG13 VAL D 27 90.232 1.231 2.527 1.00 0.00 H new ATOM 0 HG21 VAL D 27 88.463 3.391 1.255 1.00 0.00 H new ATOM 0 HG22 VAL D 27 89.763 2.503 0.426 1.00 0.00 H new ATOM 0 HG23 VAL D 27 88.120 2.517 -0.257 1.00 0.00 H new ATOM 1488 N VAL D 28 90.978 -0.512 1.173 1.00 0.00 N ATOM 1489 CA VAL D 28 92.417 -0.554 0.945 1.00 0.00 C ATOM 1490 C VAL D 28 92.755 -1.551 -0.161 1.00 0.00 C ATOM 1491 O VAL D 28 93.489 -1.231 -1.095 1.00 0.00 O ATOM 1492 CB VAL D 28 93.142 -0.945 2.236 1.00 0.00 C ATOM 1493 CG1 VAL D 28 94.653 -0.782 2.047 1.00 0.00 C ATOM 1494 CG2 VAL D 28 92.665 -0.047 3.384 1.00 0.00 C ATOM 0 H VAL D 28 90.674 -0.920 2.057 1.00 0.00 H new ATOM 0 HA VAL D 28 92.747 0.438 0.635 1.00 0.00 H new ATOM 0 HB VAL D 28 92.920 -1.985 2.475 1.00 0.00 H new ATOM 0 HG11 VAL D 28 95.167 -1.061 2.967 1.00 0.00 H new ATOM 0 HG12 VAL D 28 94.990 -1.425 1.234 1.00 0.00 H new ATOM 0 HG13 VAL D 28 94.880 0.256 1.805 1.00 0.00 H new ATOM 0 HG21 VAL D 28 93.181 -0.326 4.303 1.00 0.00 H new ATOM 0 HG22 VAL D 28 92.884 0.994 3.146 1.00 0.00 H new ATOM 0 HG23 VAL D 28 91.591 -0.170 3.520 1.00 0.00 H new ATOM 1504 N ALA D 29 92.229 -2.739 -0.043 1.00 0.00 N ATOM 1505 CA ALA D 29 92.487 -3.780 -1.033 1.00 0.00 C ATOM 1506 C ALA D 29 92.250 -3.256 -2.448 1.00 0.00 C ATOM 1507 O ALA D 29 92.929 -3.664 -3.391 1.00 0.00 O ATOM 1508 CB ALA D 29 91.578 -4.982 -0.773 1.00 0.00 C ATOM 0 H ALA D 29 91.618 -3.022 0.723 1.00 0.00 H new ATOM 0 HA ALA D 29 93.530 -4.084 -0.945 1.00 0.00 H new ATOM 0 HB1 ALA D 29 91.776 -5.755 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA D 29 91.774 -5.377 0.224 1.00 0.00 H new ATOM 0 HB3 ALA D 29 90.535 -4.671 -0.842 1.00 0.00 H new ATOM 1514 N ALA D 30 91.302 -2.371 -2.588 1.00 0.00 N ATOM 1515 CA ALA D 30 90.985 -1.802 -3.895 1.00 0.00 C ATOM 1516 C ALA D 30 92.106 -0.888 -4.384 1.00 0.00 C ATOM 1517 O ALA D 30 92.380 -0.810 -5.581 1.00 0.00 O ATOM 1518 CB ALA D 30 89.679 -1.009 -3.814 1.00 0.00 C ATOM 0 H ALA D 30 90.728 -2.020 -1.821 1.00 0.00 H new ATOM 0 HA ALA D 30 90.875 -2.623 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.448 -0.587 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA D 30 88.870 -1.671 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA D 30 89.787 -0.203 -3.088 1.00 0.00 H new ATOM 1524 N SER D 31 92.733 -0.201 -3.468 1.00 0.00 N ATOM 1525 CA SER D 31 93.816 0.716 -3.816 1.00 0.00 C ATOM 1526 C SER D 31 94.868 0.024 -4.681 1.00 0.00 C ATOM 1527 O SER D 31 95.416 0.624 -5.606 1.00 0.00 O ATOM 1528 CB SER D 31 94.474 1.252 -2.546 1.00 0.00 C ATOM 1529 OG SER D 31 95.489 2.182 -2.901 1.00 0.00 O ATOM 0 H SER D 31 92.522 -0.250 -2.471 1.00 0.00 H new ATOM 0 HA SER D 31 93.388 1.541 -4.385 1.00 0.00 H new ATOM 0 HB2 SER D 31 93.729 1.733 -1.912 1.00 0.00 H new ATOM 0 HB3 SER D 31 94.902 0.432 -1.970 1.00 0.00 H new ATOM 0 HG SER D 31 95.913 2.530 -2.089 1.00 0.00 H new ATOM 1535 N ILE D 32 95.146 -1.215 -4.378 1.00 0.00 N ATOM 1536 CA ILE D 32 96.140 -1.974 -5.132 1.00 0.00 C ATOM 1537 C ILE D 32 95.729 -2.105 -6.599 1.00 0.00 C ATOM 1538 O ILE D 32 96.576 -2.202 -7.486 1.00 0.00 O ATOM 1539 CB ILE D 32 96.297 -3.370 -4.523 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.435 -3.259 -2.998 1.00 0.00 C ATOM 1541 CG2 ILE D 32 97.543 -4.045 -5.103 1.00 0.00 C ATOM 1542 CD1 ILE D 32 97.533 -2.252 -2.638 1.00 0.00 C ATOM 0 H ILE D 32 94.705 -1.731 -3.617 1.00 0.00 H new ATOM 0 HA ILE D 32 97.088 -1.439 -5.081 1.00 0.00 H new ATOM 0 HB ILE D 32 95.417 -3.967 -4.761 1.00 0.00 H new ATOM 0 HG12 ILE D 32 95.487 -2.946 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE D 32 96.673 -4.235 -2.575 1.00 0.00 H new ATOM 0 HG21 ILE D 32 97.654 -5.039 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE D 32 97.440 -4.131 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE D 32 98.423 -3.446 -4.869 1.00 0.00 H new ATOM 0 HD11 ILE D 32 97.621 -2.182 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE D 32 98.482 -2.583 -3.059 1.00 0.00 H new ATOM 0 HD13 ILE D 32 97.277 -1.274 -3.045 1.00 0.00 H new ATOM 1554 N ILE D 33 94.447 -2.112 -6.836 1.00 0.00 N ATOM 1555 CA ILE D 33 93.923 -2.236 -8.194 1.00 0.00 C ATOM 1556 C ILE D 33 94.165 -0.959 -9.006 1.00 0.00 C ATOM 1557 O ILE D 33 94.468 -1.023 -10.196 1.00 0.00 O ATOM 1558 CB ILE D 33 92.420 -2.574 -8.156 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.212 -3.854 -7.310 1.00 0.00 C ATOM 1560 CG2 ILE D 33 91.899 -2.800 -9.591 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.848 -4.492 -7.608 1.00 0.00 C ATOM 0 H ILE D 33 93.732 -2.034 -6.113 1.00 0.00 H new ATOM 0 HA ILE D 33 94.456 -3.048 -8.687 1.00 0.00 H new ATOM 0 HB ILE D 33 91.868 -1.747 -7.709 1.00 0.00 H new ATOM 0 HG12 ILE D 33 93.007 -4.569 -7.523 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.280 -3.609 -6.250 1.00 0.00 H new ATOM 0 HG21 ILE D 33 90.836 -3.039 -9.559 1.00 0.00 H new ATOM 0 HG22 ILE D 33 92.050 -1.895 -10.180 1.00 0.00 H new ATOM 0 HG23 ILE D 33 92.443 -3.626 -10.050 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.726 -5.389 -7.001 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.055 -3.783 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.793 -4.757 -8.664 1.00 0.00 H new ATOM 1573 N GLY D 34 94.014 0.177 -8.378 1.00 0.00 N ATOM 1574 CA GLY D 34 94.198 1.454 -9.069 1.00 0.00 C ATOM 1575 C GLY D 34 95.642 1.661 -9.525 1.00 0.00 C ATOM 1576 O GLY D 34 95.888 2.126 -10.637 1.00 0.00 O ATOM 0 H GLY D 34 93.765 0.259 -7.392 1.00 0.00 H new ATOM 0 HA2 GLY D 34 93.536 1.496 -9.934 1.00 0.00 H new ATOM 0 HA3 GLY D 34 93.908 2.269 -8.406 1.00 0.00 H new ATOM 1580 N ILE D 35 96.573 1.319 -8.680 1.00 0.00 N ATOM 1581 CA ILE D 35 97.987 1.475 -9.017 1.00 0.00 C ATOM 1582 C ILE D 35 98.390 0.467 -10.089 1.00 0.00 C ATOM 1583 O ILE D 35 99.162 0.783 -10.994 1.00 0.00 O ATOM 1584 CB ILE D 35 98.855 1.297 -7.768 1.00 0.00 C ATOM 1585 CG1 ILE D 35 100.335 1.318 -8.163 1.00 0.00 C ATOM 1586 CG2 ILE D 35 98.525 -0.035 -7.098 1.00 0.00 C ATOM 1587 CD1 ILE D 35 101.196 1.503 -6.911 1.00 0.00 C ATOM 0 H ILE D 35 96.395 0.931 -7.754 1.00 0.00 H new ATOM 0 HA ILE D 35 98.142 2.481 -9.408 1.00 0.00 H new ATOM 0 HB ILE D 35 98.654 2.111 -7.072 1.00 0.00 H new ATOM 0 HG12 ILE D 35 100.601 0.388 -8.666 1.00 0.00 H new ATOM 0 HG13 ILE D 35 100.522 2.127 -8.869 1.00 0.00 H new ATOM 0 HG21 ILE D 35 99.144 -0.159 -6.210 1.00 0.00 H new ATOM 0 HG22 ILE D 35 97.473 -0.048 -6.812 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.722 -0.851 -7.794 1.00 0.00 H new ATOM 0 HD11 ILE D 35 102.249 1.518 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE D 35 100.936 2.444 -6.427 1.00 0.00 H new ATOM 0 HD13 ILE D 35 101.017 0.679 -6.221 1.00 0.00 H new ATOM 1599 N LEU D 36 97.875 -0.724 -9.977 1.00 0.00 N ATOM 1600 CA LEU D 36 98.189 -1.777 -10.936 1.00 0.00 C ATOM 1601 C LEU D 36 98.011 -1.267 -12.366 1.00 0.00 C ATOM 1602 O LEU D 36 98.764 -1.642 -13.265 1.00 0.00 O ATOM 1603 CB LEU D 36 97.273 -2.983 -10.696 1.00 0.00 C ATOM 1604 CG LEU D 36 97.665 -4.150 -11.615 1.00 0.00 C ATOM 1605 CD1 LEU D 36 99.071 -4.668 -11.257 1.00 0.00 C ATOM 1606 CD2 LEU D 36 96.641 -5.278 -11.445 1.00 0.00 C ATOM 0 H LEU D 36 97.234 -1.003 -9.235 1.00 0.00 H new ATOM 0 HA LEU D 36 99.228 -2.078 -10.800 1.00 0.00 H new ATOM 0 HB2 LEU D 36 97.339 -3.295 -9.654 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.236 -2.701 -10.879 1.00 0.00 H new ATOM 0 HG LEU D 36 97.677 -3.807 -12.649 1.00 0.00 H new ATOM 0 HD11 LEU D 36 99.333 -5.495 -11.917 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.797 -3.863 -11.377 1.00 0.00 H new ATOM 0 HD13 LEU D 36 99.079 -5.013 -10.223 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.908 -6.113 -12.093 1.00 0.00 H new ATOM 0 HD22 LEU D 36 96.636 -5.611 -10.407 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.650 -4.913 -11.714 1.00 0.00 H new ATOM 1618 N HIS D 37 97.024 -0.436 -12.568 1.00 0.00 N ATOM 1619 CA HIS D 37 96.752 0.106 -13.899 1.00 0.00 C ATOM 1620 C HIS D 37 98.020 0.673 -14.533 1.00 0.00 C ATOM 1621 O HIS D 37 98.273 0.472 -15.721 1.00 0.00 O ATOM 1622 CB HIS D 37 95.708 1.219 -13.806 1.00 0.00 C ATOM 1623 CG HIS D 37 94.453 0.693 -13.168 1.00 0.00 C ATOM 1624 ND1 HIS D 37 93.432 1.532 -12.754 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.039 -0.580 -12.864 1.00 0.00 C ATOM 1626 CE1 HIS D 37 92.462 0.764 -12.228 1.00 0.00 C ATOM 1627 NE2 HIS D 37 92.781 -0.534 -12.270 1.00 0.00 N ATOM 0 H HIS D 37 96.389 -0.112 -11.839 1.00 0.00 H new ATOM 0 HA HIS D 37 96.379 -0.709 -14.520 1.00 0.00 H new ATOM 0 HB2 HIS D 37 96.102 2.051 -13.222 1.00 0.00 H new ATOM 0 HB3 HIS D 37 95.486 1.605 -14.801 1.00 0.00 H new ATOM 0 HD1 HIS D 37 93.418 2.549 -12.834 1.00 0.00 H new ATOM 0 HD2 HIS D 37 94.604 -1.480 -13.056 1.00 0.00 H new ATOM 0 HE1 HIS D 37 91.538 1.148 -11.821 1.00 0.00 H new ATOM 1636 N PHE D 38 98.787 1.385 -13.754 1.00 0.00 N ATOM 1637 CA PHE D 38 100.014 1.996 -14.254 1.00 0.00 C ATOM 1638 C PHE D 38 100.962 0.949 -14.837 1.00 0.00 C ATOM 1639 O PHE D 38 101.630 1.201 -15.840 1.00 0.00 O ATOM 1640 CB PHE D 38 100.721 2.749 -13.124 1.00 0.00 C ATOM 1641 CG PHE D 38 101.852 3.571 -13.698 1.00 0.00 C ATOM 1642 CD1 PHE D 38 101.609 4.871 -14.159 1.00 0.00 C ATOM 1643 CD2 PHE D 38 103.143 3.034 -13.769 1.00 0.00 C ATOM 1644 CE1 PHE D 38 102.656 5.633 -14.691 1.00 0.00 C ATOM 1645 CE2 PHE D 38 104.190 3.797 -14.301 1.00 0.00 C ATOM 1646 CZ PHE D 38 103.947 5.096 -14.761 1.00 0.00 C ATOM 0 H PHE D 38 98.595 1.564 -12.768 1.00 0.00 H new ATOM 0 HA PHE D 38 99.740 2.691 -15.048 1.00 0.00 H new ATOM 0 HB2 PHE D 38 100.014 3.396 -12.605 1.00 0.00 H new ATOM 0 HB3 PHE D 38 101.107 2.044 -12.388 1.00 0.00 H new ATOM 0 HD1 PHE D 38 100.613 5.286 -14.104 1.00 0.00 H new ATOM 0 HD2 PHE D 38 103.331 2.032 -13.414 1.00 0.00 H new ATOM 0 HE1 PHE D 38 102.468 6.635 -15.047 1.00 0.00 H new ATOM 0 HE2 PHE D 38 105.186 3.382 -14.356 1.00 0.00 H new ATOM 0 HZ PHE D 38 104.755 5.684 -15.170 1.00 0.00 H new ATOM 1656 N ILE D 39 101.029 -0.195 -14.213 1.00 0.00 N ATOM 1657 CA ILE D 39 101.920 -1.252 -14.685 1.00 0.00 C ATOM 1658 C ILE D 39 101.543 -1.702 -16.095 1.00 0.00 C ATOM 1659 O ILE D 39 102.396 -1.768 -16.979 1.00 0.00 O ATOM 1660 CB ILE D 39 101.858 -2.455 -13.736 1.00 0.00 C ATOM 1661 CG1 ILE D 39 102.196 -2.015 -12.291 1.00 0.00 C ATOM 1662 CG2 ILE D 39 102.841 -3.532 -14.208 1.00 0.00 C ATOM 1663 CD1 ILE D 39 103.718 -1.929 -12.068 1.00 0.00 C ATOM 0 H ILE D 39 100.487 -0.431 -13.382 1.00 0.00 H new ATOM 0 HA ILE D 39 102.933 -0.851 -14.706 1.00 0.00 H new ATOM 0 HB ILE D 39 100.848 -2.866 -13.744 1.00 0.00 H new ATOM 0 HG12 ILE D 39 101.742 -1.045 -12.090 1.00 0.00 H new ATOM 0 HG13 ILE D 39 101.763 -2.722 -11.584 1.00 0.00 H new ATOM 0 HG21 ILE D 39 102.796 -4.387 -13.533 1.00 0.00 H new ATOM 0 HG22 ILE D 39 102.575 -3.851 -15.216 1.00 0.00 H new ATOM 0 HG23 ILE D 39 103.852 -3.125 -14.212 1.00 0.00 H new ATOM 0 HD11 ILE D 39 103.919 -1.617 -11.043 1.00 0.00 H new ATOM 0 HD12 ILE D 39 104.167 -2.906 -12.245 1.00 0.00 H new ATOM 0 HD13 ILE D 39 104.146 -1.202 -12.758 1.00 0.00 H new ATOM 1675 N ALA D 40 100.291 -2.010 -16.297 1.00 0.00 N ATOM 1676 CA ALA D 40 99.827 -2.456 -17.607 1.00 0.00 C ATOM 1677 C ALA D 40 99.833 -1.304 -18.610 1.00 0.00 C ATOM 1678 O ALA D 40 100.113 -1.499 -19.793 1.00 0.00 O ATOM 1679 CB ALA D 40 98.418 -3.038 -17.487 1.00 0.00 C ATOM 0 H ALA D 40 99.566 -1.965 -15.581 1.00 0.00 H new ATOM 0 HA ALA D 40 100.507 -3.227 -17.969 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.076 -3.369 -18.468 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.432 -3.886 -16.802 1.00 0.00 H new ATOM 0 HB3 ALA D 40 97.740 -2.274 -17.106 1.00 0.00 H new ATOM 1685 N TRP D 41 99.520 -0.127 -18.140 1.00 0.00 N ATOM 1686 CA TRP D 41 99.483 1.052 -19.002 1.00 0.00 C ATOM 1687 C TRP D 41 100.753 1.137 -19.841 1.00 0.00 C ATOM 1688 O TRP D 41 100.748 1.671 -20.950 1.00 0.00 O ATOM 1689 CB TRP D 41 99.346 2.321 -18.146 1.00 0.00 C ATOM 1690 CG TRP D 41 98.899 3.465 -19.003 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.663 4.092 -19.929 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.603 4.128 -19.025 1.00 0.00 C ATOM 1693 NE1 TRP D 41 98.911 5.086 -20.530 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.635 5.147 -20.004 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.411 3.943 -18.301 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.526 5.952 -20.257 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.293 4.754 -18.551 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.349 5.756 -19.529 1.00 0.00 C ATOM 0 H TRP D 41 99.284 0.054 -17.164 1.00 0.00 H new ATOM 0 HA TRP D 41 98.624 0.969 -19.668 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.628 2.154 -17.343 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.300 2.558 -17.676 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.691 3.855 -20.160 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.256 5.698 -21.270 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.356 3.171 -17.547 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.576 6.723 -21.011 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.384 4.605 -17.986 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.485 6.375 -19.720 1.00 0.00 H new ATOM 1709 N THR D 42 101.816 0.608 -19.312 1.00 0.00 N ATOM 1710 CA THR D 42 103.095 0.621 -20.010 1.00 0.00 C ATOM 1711 C THR D 42 102.949 0.086 -21.433 1.00 0.00 C ATOM 1712 O THR D 42 103.607 0.569 -22.354 1.00 0.00 O ATOM 1713 CB THR D 42 104.112 -0.225 -19.245 1.00 0.00 C ATOM 1714 OG1 THR D 42 103.575 -1.519 -19.014 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.423 0.449 -17.909 1.00 0.00 C ATOM 0 H THR D 42 101.836 0.158 -18.397 1.00 0.00 H new ATOM 0 HA THR D 42 103.443 1.653 -20.064 1.00 0.00 H new ATOM 0 HB THR D 42 105.028 -0.316 -19.829 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.366 -1.621 -18.062 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.148 -0.151 -17.359 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.835 1.442 -18.090 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.507 0.537 -17.324 1.00 0.00 H new ATOM 1723 N ILE D 43 102.110 -0.899 -21.606 1.00 0.00 N ATOM 1724 CA ILE D 43 101.909 -1.486 -22.929 1.00 0.00 C ATOM 1725 C ILE D 43 101.215 -0.501 -23.869 1.00 0.00 C ATOM 1726 O ILE D 43 101.680 -0.268 -24.984 1.00 0.00 O ATOM 1727 CB ILE D 43 101.066 -2.759 -22.811 1.00 0.00 C ATOM 1728 CG1 ILE D 43 101.680 -3.700 -21.762 1.00 0.00 C ATOM 1729 CG2 ILE D 43 101.012 -3.465 -24.168 1.00 0.00 C ATOM 1730 CD1 ILE D 43 103.163 -3.952 -22.063 1.00 0.00 C ATOM 0 H ILE D 43 101.552 -1.318 -20.862 1.00 0.00 H new ATOM 0 HA ILE D 43 102.887 -1.729 -23.344 1.00 0.00 H new ATOM 0 HB ILE D 43 100.056 -2.492 -22.500 1.00 0.00 H new ATOM 0 HG12 ILE D 43 101.574 -3.264 -20.769 1.00 0.00 H new ATOM 0 HG13 ILE D 43 101.139 -4.646 -21.754 1.00 0.00 H new ATOM 0 HG21 ILE D 43 100.412 -4.371 -24.083 1.00 0.00 H new ATOM 0 HG22 ILE D 43 100.563 -2.800 -24.906 1.00 0.00 H new ATOM 0 HG23 ILE D 43 102.022 -3.727 -24.482 1.00 0.00 H new ATOM 0 HD11 ILE D 43 103.579 -4.620 -21.309 1.00 0.00 H new ATOM 0 HD12 ILE D 43 103.262 -4.409 -23.047 1.00 0.00 H new ATOM 0 HD13 ILE D 43 103.704 -3.006 -22.047 1.00 0.00 H new ATOM 1742 N GLY D 44 100.120 0.057 -23.431 1.00 0.00 N ATOM 1743 CA GLY D 44 99.371 1.003 -24.256 1.00 0.00 C ATOM 1744 C GLY D 44 100.250 2.165 -24.708 1.00 0.00 C ATOM 1745 O GLY D 44 100.026 2.749 -25.768 1.00 0.00 O ATOM 0 H GLY D 44 99.716 -0.118 -22.511 1.00 0.00 H new ATOM 0 HA2 GLY D 44 98.969 0.488 -25.129 1.00 0.00 H new ATOM 0 HA3 GLY D 44 98.521 1.386 -23.692 1.00 0.00 H new ATOM 1749 N HIS D 45 101.223 2.493 -23.908 1.00 0.00 N ATOM 1750 CA HIS D 45 102.132 3.592 -24.211 1.00 0.00 C ATOM 1751 C HIS D 45 102.835 3.398 -25.557 1.00 0.00 C ATOM 1752 O HIS D 45 103.245 4.363 -26.191 1.00 0.00 O ATOM 1753 CB HIS D 45 103.178 3.715 -23.099 1.00 0.00 C ATOM 1754 CG HIS D 45 103.861 5.052 -23.190 1.00 0.00 C ATOM 1755 ND1 HIS D 45 105.240 5.179 -23.222 1.00 0.00 N ATOM 1756 CD2 HIS D 45 103.365 6.332 -23.257 1.00 0.00 C ATOM 1757 CE1 HIS D 45 105.525 6.491 -23.303 1.00 0.00 C ATOM 1758 NE2 HIS D 45 104.417 7.238 -23.329 1.00 0.00 N ATOM 0 H HIS D 45 101.419 2.017 -23.028 1.00 0.00 H new ATOM 0 HA HIS D 45 101.540 4.505 -24.273 1.00 0.00 H new ATOM 0 HB2 HIS D 45 102.702 3.605 -22.125 1.00 0.00 H new ATOM 0 HB3 HIS D 45 103.912 2.914 -23.187 1.00 0.00 H new ATOM 0 HD2 HIS D 45 102.317 6.594 -23.254 1.00 0.00 H new ATOM 0 HE1 HIS D 45 106.527 6.892 -23.342 1.00 0.00 H new ATOM 0 HE2 HIS D 45 104.356 8.254 -23.389 1.00 0.00 H new ATOM 1767 N LEU D 46 103.006 2.178 -25.967 1.00 0.00 N ATOM 1768 CA LEU D 46 103.706 1.903 -27.220 1.00 0.00 C ATOM 1769 C LEU D 46 103.197 2.791 -28.365 1.00 0.00 C ATOM 1770 O LEU D 46 103.940 3.080 -29.302 1.00 0.00 O ATOM 1771 CB LEU D 46 103.565 0.404 -27.584 1.00 0.00 C ATOM 1772 CG LEU D 46 102.249 0.122 -28.365 1.00 0.00 C ATOM 1773 CD1 LEU D 46 102.496 0.200 -29.890 1.00 0.00 C ATOM 1774 CD2 LEU D 46 101.722 -1.284 -28.006 1.00 0.00 C ATOM 0 H LEU D 46 102.679 1.351 -25.468 1.00 0.00 H new ATOM 0 HA LEU D 46 104.760 2.139 -27.076 1.00 0.00 H new ATOM 0 HB2 LEU D 46 104.419 0.094 -28.186 1.00 0.00 H new ATOM 0 HB3 LEU D 46 103.583 -0.195 -26.673 1.00 0.00 H new ATOM 0 HG LEU D 46 101.512 0.875 -28.086 1.00 0.00 H new ATOM 0 HD11 LEU D 46 101.565 0.000 -30.420 1.00 0.00 H new ATOM 0 HD12 LEU D 46 102.855 1.196 -30.150 1.00 0.00 H new ATOM 0 HD13 LEU D 46 103.243 -0.541 -30.176 1.00 0.00 H new ATOM 0 HD21 LEU D 46 100.800 -1.478 -28.555 1.00 0.00 H new ATOM 0 HD22 LEU D 46 102.468 -2.032 -28.274 1.00 0.00 H new ATOM 0 HD23 LEU D 46 101.525 -1.336 -26.935 1.00 0.00 H new