USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 742 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 37 HIS : no HD1:sc= -0.233 K(o=-8.8,f=-9.3) USER MOD Set 1.2: C 37 HIS : no HD1:sc= -8.53! C(o=-8.8!,f=-12!) USER MOD Set 2.1: A 37 HIS : no HD1:sc= -17.9! C(o=-29!,f=-38!) USER MOD Set 2.2: D 37 HIS : no HE2:sc= -11.3! C(o=-29!,f=-35!) 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= -0.0659 X(o=-0.066,f=0) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 42 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -0.0298 X(o=-0.03,f=-0.0073) USER MOD Single : B 47 ASN : amide:sc= -0.845 K(o=-0.85,f=-4!) USER MOD Single : B 48 GLN : amide:sc= -4.87! C(o=-4.9!,f=-13!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 42 THR OG1 : rot -84:sc= 0.305 USER MOD Single : C 45 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 42 THR OG1 : rot -103:sc= 0.747 USER MOD Single : D 45 HIS : no HD1:sc= -0.044 X(o=-0.044,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N PRO A 25 78.025 3.341 1.839 1.00 0.00 N ATOM 24 CA PRO A 25 78.714 2.450 0.859 1.00 0.00 C ATOM 25 C PRO A 25 79.136 3.203 -0.403 1.00 0.00 C ATOM 26 O PRO A 25 79.218 2.624 -1.485 1.00 0.00 O ATOM 27 CB PRO A 25 77.648 1.395 0.546 1.00 0.00 C ATOM 28 CG PRO A 25 76.348 2.120 0.696 1.00 0.00 C ATOM 29 CD PRO A 25 76.563 3.151 1.812 1.00 0.00 C ATOM 0 HA PRO A 25 79.640 2.029 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 25 77.767 0.998 -0.462 1.00 0.00 H new ATOM 0 HB3 PRO A 25 77.713 0.550 1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 25 76.064 2.608 -0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 25 75.544 1.430 0.952 1.00 0.00 H new ATOM 0 HD2 PRO A 25 76.042 4.085 1.600 1.00 0.00 H new ATOM 0 HD3 PRO A 25 76.189 2.788 2.769 1.00 0.00 H new ATOM 37 N LEU A 26 79.393 4.475 -0.256 1.00 0.00 N ATOM 38 CA LEU A 26 79.802 5.296 -1.390 1.00 0.00 C ATOM 39 C LEU A 26 81.207 4.912 -1.857 1.00 0.00 C ATOM 40 O LEU A 26 81.476 4.853 -3.056 1.00 0.00 O ATOM 41 CB LEU A 26 79.777 6.782 -0.997 1.00 0.00 C ATOM 42 CG LEU A 26 78.338 7.311 -1.029 1.00 0.00 C ATOM 43 CD1 LEU A 26 77.505 6.603 0.043 1.00 0.00 C ATOM 44 CD2 LEU A 26 78.345 8.820 -0.759 1.00 0.00 C ATOM 0 H LEU A 26 79.330 4.975 0.631 1.00 0.00 H new ATOM 0 HA LEU A 26 79.103 5.124 -2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 26 80.198 6.910 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 26 80.400 7.358 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 26 77.902 7.118 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 26 76.483 6.981 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 26 77.500 5.530 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 26 77.938 6.793 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 26 77.323 9.198 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 26 78.782 9.012 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 26 78.935 9.324 -1.524 1.00 0.00 H new ATOM 56 N VAL A 27 82.083 4.665 -0.921 1.00 0.00 N ATOM 57 CA VAL A 27 83.458 4.297 -1.249 1.00 0.00 C ATOM 58 C VAL A 27 83.534 2.893 -1.845 1.00 0.00 C ATOM 59 O VAL A 27 84.241 2.664 -2.828 1.00 0.00 O ATOM 60 CB VAL A 27 84.327 4.369 0.009 1.00 0.00 C ATOM 61 CG1 VAL A 27 83.874 3.302 1.009 1.00 0.00 C ATOM 62 CG2 VAL A 27 85.789 4.128 -0.370 1.00 0.00 C ATOM 0 H VAL A 27 81.882 4.708 0.078 1.00 0.00 H new ATOM 0 HA VAL A 27 83.826 5.002 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 27 84.226 5.354 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 27 84.494 3.355 1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 27 82.832 3.475 1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 27 83.973 2.315 0.557 1.00 0.00 H new ATOM 0 HG21 VAL A 27 86.410 4.179 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 27 85.889 3.143 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 27 86.111 4.890 -1.079 1.00 0.00 H new ATOM 72 N VAL A 28 82.825 1.972 -1.251 1.00 0.00 N ATOM 73 CA VAL A 28 82.829 0.590 -1.726 1.00 0.00 C ATOM 74 C VAL A 28 82.248 0.501 -3.134 1.00 0.00 C ATOM 75 O VAL A 28 82.764 -0.223 -3.985 1.00 0.00 O ATOM 76 CB VAL A 28 82.013 -0.289 -0.776 1.00 0.00 C ATOM 77 CG1 VAL A 28 81.976 -1.722 -1.309 1.00 0.00 C ATOM 78 CG2 VAL A 28 82.662 -0.278 0.610 1.00 0.00 C ATOM 0 H VAL A 28 82.234 2.140 -0.437 1.00 0.00 H new ATOM 0 HA VAL A 28 83.860 0.238 -1.752 1.00 0.00 H new ATOM 0 HB VAL A 28 80.996 0.098 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 28 81.395 -2.347 -0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 28 81.515 -1.731 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 28 82.992 -2.110 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 28 82.082 -0.904 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 28 83.678 -0.665 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 28 82.688 0.743 0.991 1.00 0.00 H new ATOM 88 N ALA A 29 81.191 1.226 -3.362 1.00 0.00 N ATOM 89 CA ALA A 29 80.543 1.223 -4.668 1.00 0.00 C ATOM 90 C ALA A 29 81.570 1.448 -5.774 1.00 0.00 C ATOM 91 O ALA A 29 81.474 0.865 -6.854 1.00 0.00 O ATOM 92 CB ALA A 29 79.480 2.322 -4.726 1.00 0.00 C ATOM 0 H ALA A 29 80.750 1.831 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 29 80.070 0.252 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 29 79.001 2.313 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 29 78.731 2.145 -3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 29 79.950 3.292 -4.561 1.00 0.00 H new ATOM 98 N ALA A 30 82.531 2.289 -5.502 1.00 0.00 N ATOM 99 CA ALA A 30 83.569 2.598 -6.480 1.00 0.00 C ATOM 100 C ALA A 30 84.393 1.359 -6.832 1.00 0.00 C ATOM 101 O ALA A 30 84.806 1.189 -7.979 1.00 0.00 O ATOM 102 CB ALA A 30 84.496 3.682 -5.926 1.00 0.00 C ATOM 0 H ALA A 30 82.627 2.779 -4.613 1.00 0.00 H new ATOM 0 HA ALA A 30 83.079 2.953 -7.387 1.00 0.00 H new ATOM 0 HB1 ALA A 30 85.269 3.909 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.919 4.582 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 30 84.961 3.328 -5.006 1.00 0.00 H new ATOM 108 N SER A 31 84.638 0.521 -5.861 1.00 0.00 N ATOM 109 CA SER A 31 85.430 -0.685 -6.090 1.00 0.00 C ATOM 110 C SER A 31 84.862 -1.509 -7.244 1.00 0.00 C ATOM 111 O SER A 31 85.602 -1.952 -8.124 1.00 0.00 O ATOM 112 CB SER A 31 85.456 -1.536 -4.821 1.00 0.00 C ATOM 113 OG SER A 31 86.230 -2.706 -5.055 1.00 0.00 O ATOM 0 H SER A 31 84.308 0.639 -4.903 1.00 0.00 H new ATOM 0 HA SER A 31 86.443 -0.379 -6.352 1.00 0.00 H new ATOM 0 HB2 SER A 31 85.880 -0.965 -3.995 1.00 0.00 H new ATOM 0 HB3 SER A 31 84.441 -1.809 -4.532 1.00 0.00 H new ATOM 0 HG SER A 31 86.250 -3.253 -4.242 1.00 0.00 H new ATOM 119 N ILE A 32 83.575 -1.715 -7.232 1.00 0.00 N ATOM 120 CA ILE A 32 82.929 -2.496 -8.282 1.00 0.00 C ATOM 121 C ILE A 32 83.326 -1.969 -9.661 1.00 0.00 C ATOM 122 O ILE A 32 83.561 -2.744 -10.588 1.00 0.00 O ATOM 123 CB ILE A 32 81.402 -2.437 -8.116 1.00 0.00 C ATOM 124 CG1 ILE A 32 80.985 -3.231 -6.868 1.00 0.00 C ATOM 125 CG2 ILE A 32 80.720 -3.049 -9.345 1.00 0.00 C ATOM 126 CD1 ILE A 32 81.480 -2.533 -5.595 1.00 0.00 C ATOM 0 H ILE A 32 82.943 -1.360 -6.515 1.00 0.00 H new ATOM 0 HA ILE A 32 83.257 -3.532 -8.198 1.00 0.00 H new ATOM 0 HB ILE A 32 81.099 -1.395 -8.009 1.00 0.00 H new ATOM 0 HG12 ILE A 32 79.900 -3.328 -6.838 1.00 0.00 H new ATOM 0 HG13 ILE A 32 81.394 -4.240 -6.919 1.00 0.00 H new ATOM 0 HG21 ILE A 32 79.638 -3.004 -9.221 1.00 0.00 H new ATOM 0 HG22 ILE A 32 81.007 -2.490 -10.236 1.00 0.00 H new ATOM 0 HG23 ILE A 32 81.030 -4.088 -9.453 1.00 0.00 H new ATOM 0 HD11 ILE A 32 81.175 -3.110 -4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 32 82.567 -2.459 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 32 81.050 -1.533 -5.538 1.00 0.00 H new ATOM 138 N ILE A 33 83.396 -0.674 -9.784 1.00 0.00 N ATOM 139 CA ILE A 33 83.763 -0.053 -11.052 1.00 0.00 C ATOM 140 C ILE A 33 85.239 -0.310 -11.361 1.00 0.00 C ATOM 141 O ILE A 33 85.635 -0.369 -12.526 1.00 0.00 O ATOM 142 CB ILE A 33 83.481 1.463 -11.005 1.00 0.00 C ATOM 143 CG1 ILE A 33 81.996 1.694 -10.645 1.00 0.00 C ATOM 144 CG2 ILE A 33 83.788 2.095 -12.378 1.00 0.00 C ATOM 145 CD1 ILE A 33 81.579 3.139 -10.957 1.00 0.00 C ATOM 0 H ILE A 33 83.206 -0.016 -9.028 1.00 0.00 H new ATOM 0 HA ILE A 33 83.160 -0.495 -11.845 1.00 0.00 H new ATOM 0 HB ILE A 33 84.116 1.927 -10.251 1.00 0.00 H new ATOM 0 HG12 ILE A 33 81.369 1.000 -11.205 1.00 0.00 H new ATOM 0 HG13 ILE A 33 81.836 1.485 -9.587 1.00 0.00 H new ATOM 0 HG21 ILE A 33 83.587 3.166 -12.339 1.00 0.00 H new ATOM 0 HG22 ILE A 33 84.836 1.931 -12.628 1.00 0.00 H new ATOM 0 HG23 ILE A 33 83.158 1.635 -13.139 1.00 0.00 H new ATOM 0 HD11 ILE A 33 80.530 3.279 -10.696 1.00 0.00 H new ATOM 0 HD12 ILE A 33 82.193 3.828 -10.377 1.00 0.00 H new ATOM 0 HD13 ILE A 33 81.718 3.336 -12.020 1.00 0.00 H new ATOM 157 N GLY A 34 86.037 -0.450 -10.337 1.00 0.00 N ATOM 158 CA GLY A 34 87.466 -0.685 -10.526 1.00 0.00 C ATOM 159 C GLY A 34 87.741 -2.050 -11.157 1.00 0.00 C ATOM 160 O GLY A 34 88.479 -2.152 -12.135 1.00 0.00 O ATOM 0 H GLY A 34 85.736 -0.408 -9.363 1.00 0.00 H new ATOM 0 HA2 GLY A 34 87.882 0.098 -11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 34 87.975 -0.621 -9.564 1.00 0.00 H new ATOM 164 N ILE A 35 87.169 -3.078 -10.598 1.00 0.00 N ATOM 165 CA ILE A 35 87.378 -4.428 -11.114 1.00 0.00 C ATOM 166 C ILE A 35 86.804 -4.572 -12.523 1.00 0.00 C ATOM 167 O ILE A 35 87.292 -5.370 -13.323 1.00 0.00 O ATOM 168 CB ILE A 35 86.717 -5.449 -10.186 1.00 0.00 C ATOM 169 CG1 ILE A 35 87.210 -5.233 -8.753 1.00 0.00 C ATOM 170 CG2 ILE A 35 87.087 -6.862 -10.639 1.00 0.00 C ATOM 171 CD1 ILE A 35 86.426 -6.138 -7.800 1.00 0.00 C ATOM 0 H ILE A 35 86.554 -3.022 -9.787 1.00 0.00 H new ATOM 0 HA ILE A 35 88.452 -4.612 -11.157 1.00 0.00 H new ATOM 0 HB ILE A 35 85.635 -5.324 -10.222 1.00 0.00 H new ATOM 0 HG12 ILE A 35 88.275 -5.454 -8.687 1.00 0.00 H new ATOM 0 HG13 ILE A 35 87.082 -4.189 -8.467 1.00 0.00 H new ATOM 0 HG21 ILE A 35 86.617 -7.591 -9.979 1.00 0.00 H new ATOM 0 HG22 ILE A 35 86.739 -7.020 -11.660 1.00 0.00 H new ATOM 0 HG23 ILE A 35 88.169 -6.984 -10.602 1.00 0.00 H new ATOM 0 HD11 ILE A 35 86.778 -5.984 -6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 35 85.365 -5.896 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 35 86.576 -7.180 -8.082 1.00 0.00 H new ATOM 183 N LEU A 36 85.776 -3.821 -12.806 1.00 0.00 N ATOM 184 CA LEU A 36 85.132 -3.885 -14.116 1.00 0.00 C ATOM 185 C LEU A 36 86.100 -3.492 -15.231 1.00 0.00 C ATOM 186 O LEU A 36 86.149 -4.142 -16.272 1.00 0.00 O ATOM 187 CB LEU A 36 83.903 -2.966 -14.135 1.00 0.00 C ATOM 188 CG LEU A 36 83.282 -2.919 -15.540 1.00 0.00 C ATOM 189 CD1 LEU A 36 82.978 -4.341 -16.036 1.00 0.00 C ATOM 190 CD2 LEU A 36 81.980 -2.113 -15.479 1.00 0.00 C ATOM 0 H LEU A 36 85.357 -3.154 -12.158 1.00 0.00 H new ATOM 0 HA LEU A 36 84.819 -4.914 -14.293 1.00 0.00 H new ATOM 0 HB2 LEU A 36 83.164 -3.323 -13.417 1.00 0.00 H new ATOM 0 HB3 LEU A 36 84.189 -1.961 -13.825 1.00 0.00 H new ATOM 0 HG LEU A 36 83.984 -2.449 -16.229 1.00 0.00 H new ATOM 0 HD11 LEU A 36 82.539 -4.293 -17.032 1.00 0.00 H new ATOM 0 HD12 LEU A 36 83.902 -4.918 -16.075 1.00 0.00 H new ATOM 0 HD13 LEU A 36 82.278 -4.822 -15.354 1.00 0.00 H new ATOM 0 HD21 LEU A 36 81.530 -2.073 -16.471 1.00 0.00 H new ATOM 0 HD22 LEU A 36 81.288 -2.591 -14.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 82.194 -1.101 -15.137 1.00 0.00 H new ATOM 202 N HIS A 37 86.833 -2.435 -15.037 1.00 0.00 N ATOM 203 CA HIS A 37 87.761 -1.987 -16.070 1.00 0.00 C ATOM 204 C HIS A 37 88.826 -3.044 -16.363 1.00 0.00 C ATOM 205 O HIS A 37 89.352 -3.099 -17.475 1.00 0.00 O ATOM 206 CB HIS A 37 88.422 -0.657 -15.674 1.00 0.00 C ATOM 207 CG HIS A 37 89.392 -0.852 -14.537 1.00 0.00 C ATOM 208 ND1 HIS A 37 90.330 -1.873 -14.520 1.00 0.00 N ATOM 209 CD2 HIS A 37 89.586 -0.148 -13.375 1.00 0.00 C ATOM 210 CE1 HIS A 37 91.034 -1.759 -13.381 1.00 0.00 C ATOM 211 NE2 HIS A 37 90.621 -0.725 -12.645 1.00 0.00 N ATOM 0 H HIS A 37 86.818 -1.865 -14.191 1.00 0.00 H new ATOM 0 HA HIS A 37 87.183 -1.830 -16.981 1.00 0.00 H new ATOM 0 HB2 HIS A 37 88.944 -0.236 -16.534 1.00 0.00 H new ATOM 0 HB3 HIS A 37 87.656 0.062 -15.383 1.00 0.00 H new ATOM 0 HD2 HIS A 37 89.021 0.722 -13.073 1.00 0.00 H new ATOM 0 HE1 HIS A 37 91.836 -2.423 -13.096 1.00 0.00 H new ATOM 0 HE2 HIS A 37 90.986 -0.423 -11.742 1.00 0.00 H new ATOM 220 N PHE A 38 89.158 -3.850 -15.387 1.00 0.00 N ATOM 221 CA PHE A 38 90.187 -4.871 -15.571 1.00 0.00 C ATOM 222 C PHE A 38 89.794 -5.909 -16.618 1.00 0.00 C ATOM 223 O PHE A 38 90.576 -6.204 -17.522 1.00 0.00 O ATOM 224 CB PHE A 38 90.456 -5.575 -14.239 1.00 0.00 C ATOM 225 CG PHE A 38 91.485 -6.665 -14.436 1.00 0.00 C ATOM 226 CD1 PHE A 38 92.848 -6.360 -14.367 1.00 0.00 C ATOM 227 CD2 PHE A 38 91.072 -7.979 -14.689 1.00 0.00 C ATOM 228 CE1 PHE A 38 93.802 -7.368 -14.552 1.00 0.00 C ATOM 229 CE2 PHE A 38 92.026 -8.987 -14.873 1.00 0.00 C ATOM 230 CZ PHE A 38 93.390 -8.682 -14.804 1.00 0.00 C ATOM 0 H PHE A 38 88.740 -3.829 -14.457 1.00 0.00 H new ATOM 0 HA PHE A 38 91.086 -4.366 -15.926 1.00 0.00 H new ATOM 0 HB2 PHE A 38 90.812 -4.855 -13.502 1.00 0.00 H new ATOM 0 HB3 PHE A 38 89.532 -6.001 -13.849 1.00 0.00 H new ATOM 0 HD1 PHE A 38 93.165 -5.346 -14.171 1.00 0.00 H new ATOM 0 HD2 PHE A 38 90.019 -8.214 -14.742 1.00 0.00 H new ATOM 0 HE1 PHE A 38 94.855 -7.132 -14.500 1.00 0.00 H new ATOM 0 HE2 PHE A 38 91.709 -10.001 -15.068 1.00 0.00 H new ATOM 0 HZ PHE A 38 94.125 -9.461 -14.945 1.00 0.00 H new ATOM 240 N ILE A 39 88.623 -6.472 -16.500 1.00 0.00 N ATOM 241 CA ILE A 39 88.210 -7.486 -17.462 1.00 0.00 C ATOM 242 C ILE A 39 88.310 -6.934 -18.884 1.00 0.00 C ATOM 243 O ILE A 39 88.729 -7.638 -19.796 1.00 0.00 O ATOM 244 CB ILE A 39 86.789 -7.990 -17.154 1.00 0.00 C ATOM 245 CG1 ILE A 39 86.277 -8.844 -18.321 1.00 0.00 C ATOM 246 CG2 ILE A 39 85.845 -6.810 -16.923 1.00 0.00 C ATOM 247 CD1 ILE A 39 85.061 -9.655 -17.867 1.00 0.00 C ATOM 0 H ILE A 39 87.944 -6.261 -15.769 1.00 0.00 H new ATOM 0 HA ILE A 39 88.883 -8.340 -17.380 1.00 0.00 H new ATOM 0 HB ILE A 39 86.820 -8.597 -16.249 1.00 0.00 H new ATOM 0 HG12 ILE A 39 86.008 -8.205 -19.162 1.00 0.00 H new ATOM 0 HG13 ILE A 39 87.064 -9.513 -18.668 1.00 0.00 H new ATOM 0 HG21 ILE A 39 84.844 -7.182 -16.706 1.00 0.00 H new ATOM 0 HG22 ILE A 39 86.202 -6.218 -16.081 1.00 0.00 H new ATOM 0 HG23 ILE A 39 85.815 -6.188 -17.817 1.00 0.00 H new ATOM 0 HD11 ILE A 39 84.698 -10.261 -18.697 1.00 0.00 H new ATOM 0 HD12 ILE A 39 85.346 -10.305 -17.040 1.00 0.00 H new ATOM 0 HD13 ILE A 39 84.272 -8.977 -17.541 1.00 0.00 H new ATOM 259 N ALA A 40 87.940 -5.697 -19.063 1.00 0.00 N ATOM 260 CA ALA A 40 88.011 -5.069 -20.380 1.00 0.00 C ATOM 261 C ALA A 40 89.464 -4.785 -20.782 1.00 0.00 C ATOM 262 O ALA A 40 89.819 -4.850 -21.959 1.00 0.00 O ATOM 263 CB ALA A 40 87.220 -3.759 -20.373 1.00 0.00 C ATOM 0 H ALA A 40 87.584 -5.092 -18.322 1.00 0.00 H new ATOM 0 HA ALA A 40 87.581 -5.758 -21.106 1.00 0.00 H new ATOM 0 HB1 ALA A 40 87.276 -3.295 -21.358 1.00 0.00 H new ATOM 0 HB2 ALA A 40 86.178 -3.964 -20.128 1.00 0.00 H new ATOM 0 HB3 ALA A 40 87.642 -3.083 -19.629 1.00 0.00 H new ATOM 269 N TRP A 41 90.268 -4.440 -19.812 1.00 0.00 N ATOM 270 CA TRP A 41 91.676 -4.101 -20.048 1.00 0.00 C ATOM 271 C TRP A 41 92.405 -5.143 -20.890 1.00 0.00 C ATOM 272 O TRP A 41 93.284 -4.799 -21.681 1.00 0.00 O ATOM 273 CB TRP A 41 92.401 -3.957 -18.708 1.00 0.00 C ATOM 274 CG TRP A 41 93.806 -3.517 -18.957 1.00 0.00 C ATOM 275 CD1 TRP A 41 94.776 -4.294 -19.490 1.00 0.00 C ATOM 276 CD2 TRP A 41 94.414 -2.219 -18.694 1.00 0.00 C ATOM 277 NE1 TRP A 41 95.942 -3.552 -19.578 1.00 0.00 N ATOM 278 CE2 TRP A 41 95.769 -2.267 -19.098 1.00 0.00 C ATOM 279 CE3 TRP A 41 93.924 -1.017 -18.152 1.00 0.00 C ATOM 280 CZ2 TRP A 41 96.609 -1.158 -18.968 1.00 0.00 C ATOM 281 CZ3 TRP A 41 94.768 0.098 -18.018 1.00 0.00 C ATOM 282 CH2 TRP A 41 96.107 0.027 -18.425 1.00 0.00 C ATOM 0 H TRP A 41 89.983 -4.381 -18.835 1.00 0.00 H new ATOM 0 HA TRP A 41 91.685 -3.163 -20.602 1.00 0.00 H new ATOM 0 HB2 TRP A 41 91.886 -3.232 -18.078 1.00 0.00 H new ATOM 0 HB3 TRP A 41 92.394 -4.906 -18.173 1.00 0.00 H new ATOM 0 HD1 TRP A 41 94.660 -5.323 -19.796 1.00 0.00 H new ATOM 0 HE1 TRP A 41 96.821 -3.910 -19.951 1.00 0.00 H new ATOM 0 HE3 TRP A 41 92.893 -0.951 -17.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 97.640 -1.217 -19.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 94.382 1.016 -17.599 1.00 0.00 H new ATOM 0 HH2 TRP A 41 96.750 0.888 -18.319 1.00 0.00 H new ATOM 293 N THR A 42 92.064 -6.381 -20.719 1.00 0.00 N ATOM 294 CA THR A 42 92.726 -7.441 -21.476 1.00 0.00 C ATOM 295 C THR A 42 92.416 -7.305 -22.964 1.00 0.00 C ATOM 296 O THR A 42 93.219 -7.691 -23.812 1.00 0.00 O ATOM 297 CB THR A 42 92.271 -8.813 -20.974 1.00 0.00 C ATOM 298 OG1 THR A 42 92.941 -9.825 -21.713 1.00 0.00 O ATOM 299 CG2 THR A 42 90.753 -8.965 -21.159 1.00 0.00 C ATOM 0 H THR A 42 91.341 -6.699 -20.073 1.00 0.00 H new ATOM 0 HA THR A 42 93.802 -7.348 -21.330 1.00 0.00 H new ATOM 0 HB THR A 42 92.510 -8.907 -19.915 1.00 0.00 H new ATOM 0 HG1 THR A 42 92.655 -10.706 -21.395 1.00 0.00 H new ATOM 0 HG21 THR A 42 90.439 -9.945 -20.799 1.00 0.00 H new ATOM 0 HG22 THR A 42 90.238 -8.188 -20.594 1.00 0.00 H new ATOM 0 HG23 THR A 42 90.504 -8.870 -22.216 1.00 0.00 H new ATOM 307 N ILE A 43 91.267 -6.766 -23.266 1.00 0.00 N ATOM 308 CA ILE A 43 90.859 -6.586 -24.654 1.00 0.00 C ATOM 309 C ILE A 43 91.838 -5.674 -25.393 1.00 0.00 C ATOM 310 O ILE A 43 92.234 -5.957 -26.515 1.00 0.00 O ATOM 311 CB ILE A 43 89.451 -5.990 -24.707 1.00 0.00 C ATOM 312 CG1 ILE A 43 88.491 -6.840 -23.856 1.00 0.00 C ATOM 313 CG2 ILE A 43 88.964 -5.951 -26.156 1.00 0.00 C ATOM 314 CD1 ILE A 43 88.541 -8.312 -24.285 1.00 0.00 C ATOM 0 H ILE A 43 90.588 -6.440 -22.578 1.00 0.00 H new ATOM 0 HA ILE A 43 90.859 -7.560 -25.144 1.00 0.00 H new ATOM 0 HB ILE A 43 89.475 -4.976 -24.309 1.00 0.00 H new ATOM 0 HG12 ILE A 43 88.758 -6.754 -22.803 1.00 0.00 H new ATOM 0 HG13 ILE A 43 87.474 -6.461 -23.959 1.00 0.00 H new ATOM 0 HG21 ILE A 43 87.961 -5.526 -26.191 1.00 0.00 H new ATOM 0 HG22 ILE A 43 89.640 -5.336 -26.751 1.00 0.00 H new ATOM 0 HG23 ILE A 43 88.944 -6.963 -26.560 1.00 0.00 H new ATOM 0 HD11 ILE A 43 87.855 -8.894 -23.670 1.00 0.00 H new ATOM 0 HD12 ILE A 43 88.250 -8.396 -25.332 1.00 0.00 H new ATOM 0 HD13 ILE A 43 89.554 -8.694 -24.158 1.00 0.00 H new ATOM 326 N GLY A 44 92.214 -4.591 -24.784 1.00 0.00 N ATOM 327 CA GLY A 44 93.132 -3.657 -25.431 1.00 0.00 C ATOM 328 C GLY A 44 94.310 -4.396 -26.065 1.00 0.00 C ATOM 329 O GLY A 44 94.908 -3.917 -27.029 1.00 0.00 O ATOM 0 H GLY A 44 91.912 -4.319 -23.848 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.600 -3.090 -26.195 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.501 -2.938 -24.699 1.00 0.00 H new ATOM 333 N HIS A 45 94.638 -5.537 -25.525 1.00 0.00 N ATOM 334 CA HIS A 45 95.750 -6.330 -26.035 1.00 0.00 C ATOM 335 C HIS A 45 95.672 -6.512 -27.561 1.00 0.00 C ATOM 336 O HIS A 45 96.698 -6.673 -28.220 1.00 0.00 O ATOM 337 CB HIS A 45 95.751 -7.693 -25.342 1.00 0.00 C ATOM 338 CG HIS A 45 97.109 -8.333 -25.460 1.00 0.00 C ATOM 339 ND1 HIS A 45 97.279 -9.629 -25.917 1.00 0.00 N ATOM 340 CD2 HIS A 45 98.371 -7.867 -25.171 1.00 0.00 C ATOM 341 CE1 HIS A 45 98.598 -9.899 -25.888 1.00 0.00 C ATOM 342 NE2 HIS A 45 99.307 -8.859 -25.442 1.00 0.00 N ATOM 0 H HIS A 45 94.155 -5.950 -24.727 1.00 0.00 H new ATOM 0 HA HIS A 45 96.677 -5.799 -25.820 1.00 0.00 H new ATOM 0 HB2 HIS A 45 95.486 -7.576 -24.291 1.00 0.00 H new ATOM 0 HB3 HIS A 45 94.996 -8.338 -25.791 1.00 0.00 H new ATOM 0 HD2 HIS A 45 98.600 -6.882 -24.792 1.00 0.00 H new ATOM 0 HE1 HIS A 45 99.030 -10.842 -26.189 1.00 0.00 H new ATOM 0 HE2 HIS A 45 100.319 -8.804 -25.325 1.00 0.00 H new ATOM 495 N PRO B 25 82.670 15.458 1.273 1.00 0.00 N ATOM 496 CA PRO B 25 82.491 14.485 0.155 1.00 0.00 C ATOM 497 C PRO B 25 83.783 14.304 -0.646 1.00 0.00 C ATOM 498 O PRO B 25 83.772 14.302 -1.877 1.00 0.00 O ATOM 499 CB PRO B 25 81.385 15.126 -0.691 1.00 0.00 C ATOM 500 CG PRO B 25 81.547 16.598 -0.474 1.00 0.00 C ATOM 501 CD PRO B 25 82.058 16.764 0.962 1.00 0.00 C ATOM 0 HA PRO B 25 82.236 13.483 0.499 1.00 0.00 H new ATOM 0 HB2 PRO B 25 81.491 14.867 -1.744 1.00 0.00 H new ATOM 0 HB3 PRO B 25 80.398 14.785 -0.377 1.00 0.00 H new ATOM 0 HG2 PRO B 25 82.252 17.022 -1.190 1.00 0.00 H new ATOM 0 HG3 PRO B 25 80.600 17.119 -0.613 1.00 0.00 H new ATOM 0 HD2 PRO B 25 82.784 17.574 1.037 1.00 0.00 H new ATOM 0 HD3 PRO B 25 81.246 16.999 1.650 1.00 0.00 H new ATOM 509 N LEU B 26 84.872 14.153 0.056 1.00 0.00 N ATOM 510 CA LEU B 26 86.169 13.974 -0.586 1.00 0.00 C ATOM 511 C LEU B 26 86.222 12.637 -1.325 1.00 0.00 C ATOM 512 O LEU B 26 86.625 12.575 -2.486 1.00 0.00 O ATOM 513 CB LEU B 26 87.278 14.033 0.472 1.00 0.00 C ATOM 514 CG LEU B 26 88.653 13.772 -0.163 1.00 0.00 C ATOM 515 CD1 LEU B 26 88.913 14.771 -1.302 1.00 0.00 C ATOM 516 CD2 LEU B 26 89.733 13.928 0.913 1.00 0.00 C ATOM 0 H LEU B 26 84.899 14.149 1.076 1.00 0.00 H new ATOM 0 HA LEU B 26 86.317 14.774 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU B 26 87.275 15.010 0.954 1.00 0.00 H new ATOM 0 HB3 LEU B 26 87.085 13.293 1.249 1.00 0.00 H new ATOM 0 HG LEU B 26 88.676 12.762 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU B 26 89.890 14.574 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU B 26 88.142 14.661 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU B 26 88.891 15.787 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU B 26 90.714 13.745 0.474 1.00 0.00 H new ATOM 0 HD22 LEU B 26 89.700 14.940 1.318 1.00 0.00 H new ATOM 0 HD23 LEU B 26 89.555 13.211 1.714 1.00 0.00 H new ATOM 528 N VAL B 27 85.825 11.591 -0.654 1.00 0.00 N ATOM 529 CA VAL B 27 85.832 10.258 -1.250 1.00 0.00 C ATOM 530 C VAL B 27 84.750 10.134 -2.319 1.00 0.00 C ATOM 531 O VAL B 27 84.901 9.388 -3.287 1.00 0.00 O ATOM 532 CB VAL B 27 85.603 9.205 -0.164 1.00 0.00 C ATOM 533 CG1 VAL B 27 85.697 7.808 -0.779 1.00 0.00 C ATOM 534 CG2 VAL B 27 86.670 9.357 0.923 1.00 0.00 C ATOM 0 H VAL B 27 85.490 11.623 0.309 1.00 0.00 H new ATOM 0 HA VAL B 27 86.803 10.097 -1.719 1.00 0.00 H new ATOM 0 HB VAL B 27 84.614 9.342 0.274 1.00 0.00 H new ATOM 0 HG11 VAL B 27 85.534 7.058 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL B 27 84.939 7.700 -1.555 1.00 0.00 H new ATOM 0 HG13 VAL B 27 86.686 7.669 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL B 27 86.509 8.608 1.698 1.00 0.00 H new ATOM 0 HG22 VAL B 27 87.658 9.219 0.485 1.00 0.00 H new ATOM 0 HG23 VAL B 27 86.603 10.353 1.361 1.00 0.00 H new ATOM 544 N VAL B 28 83.680 10.858 -2.140 1.00 0.00 N ATOM 545 CA VAL B 28 82.578 10.825 -3.095 1.00 0.00 C ATOM 546 C VAL B 28 82.987 11.499 -4.403 1.00 0.00 C ATOM 547 O VAL B 28 82.745 10.971 -5.489 1.00 0.00 O ATOM 548 CB VAL B 28 81.354 11.530 -2.508 1.00 0.00 C ATOM 549 CG1 VAL B 28 80.191 11.450 -3.499 1.00 0.00 C ATOM 550 CG2 VAL B 28 80.956 10.848 -1.197 1.00 0.00 C ATOM 0 H VAL B 28 83.536 11.482 -1.346 1.00 0.00 H new ATOM 0 HA VAL B 28 82.327 9.784 -3.300 1.00 0.00 H new ATOM 0 HB VAL B 28 81.594 12.576 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL B 28 79.320 11.953 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL B 28 80.475 11.935 -4.433 1.00 0.00 H new ATOM 0 HG13 VAL B 28 79.949 10.405 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL B 28 80.084 11.349 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL B 28 80.717 9.802 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL B 28 81.784 10.907 -0.490 1.00 0.00 H new ATOM 560 N ALA B 29 83.587 12.650 -4.289 1.00 0.00 N ATOM 561 CA ALA B 29 84.017 13.398 -5.465 1.00 0.00 C ATOM 562 C ALA B 29 84.795 12.497 -6.420 1.00 0.00 C ATOM 563 O ALA B 29 84.753 12.682 -7.636 1.00 0.00 O ATOM 564 CB ALA B 29 84.897 14.576 -5.043 1.00 0.00 C ATOM 0 H ALA B 29 83.795 13.102 -3.399 1.00 0.00 H new ATOM 0 HA ALA B 29 83.130 13.772 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA B 29 85.214 15.129 -5.927 1.00 0.00 H new ATOM 0 HB2 ALA B 29 84.331 15.236 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA B 29 85.775 14.204 -4.515 1.00 0.00 H new ATOM 570 N ALA B 30 85.487 11.536 -5.873 1.00 0.00 N ATOM 571 CA ALA B 30 86.264 10.608 -6.687 1.00 0.00 C ATOM 572 C ALA B 30 85.350 9.826 -7.628 1.00 0.00 C ATOM 573 O ALA B 30 85.762 9.421 -8.716 1.00 0.00 O ATOM 574 CB ALA B 30 87.026 9.634 -5.786 1.00 0.00 C ATOM 0 H ALA B 30 85.537 11.365 -4.869 1.00 0.00 H new ATOM 0 HA ALA B 30 86.974 11.182 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA B 30 87.604 8.945 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA B 30 87.700 10.191 -5.136 1.00 0.00 H new ATOM 0 HB3 ALA B 30 86.318 9.071 -5.178 1.00 0.00 H new ATOM 580 N SER B 31 84.133 9.619 -7.205 1.00 0.00 N ATOM 581 CA SER B 31 83.165 8.879 -8.010 1.00 0.00 C ATOM 582 C SER B 31 83.035 9.493 -9.401 1.00 0.00 C ATOM 583 O SER B 31 82.893 8.777 -10.393 1.00 0.00 O ATOM 584 CB SER B 31 81.800 8.886 -7.320 1.00 0.00 C ATOM 585 OG SER B 31 80.880 8.128 -8.093 1.00 0.00 O ATOM 0 H SER B 31 83.775 9.948 -6.308 1.00 0.00 H new ATOM 0 HA SER B 31 83.519 7.853 -8.112 1.00 0.00 H new ATOM 0 HB2 SER B 31 81.884 8.465 -6.318 1.00 0.00 H new ATOM 0 HB3 SER B 31 81.442 9.909 -7.207 1.00 0.00 H new ATOM 0 HG SER B 31 80.004 8.129 -7.653 1.00 0.00 H new ATOM 591 N ILE B 32 83.081 10.795 -9.467 1.00 0.00 N ATOM 592 CA ILE B 32 82.966 11.491 -10.744 1.00 0.00 C ATOM 593 C ILE B 32 84.024 10.988 -11.723 1.00 0.00 C ATOM 594 O ILE B 32 83.769 10.863 -12.921 1.00 0.00 O ATOM 595 CB ILE B 32 83.141 12.998 -10.536 1.00 0.00 C ATOM 596 CG1 ILE B 32 82.230 13.477 -9.396 1.00 0.00 C ATOM 597 CG2 ILE B 32 82.782 13.740 -11.825 1.00 0.00 C ATOM 598 CD1 ILE B 32 80.786 13.020 -9.637 1.00 0.00 C ATOM 0 H ILE B 32 83.197 11.406 -8.659 1.00 0.00 H new ATOM 0 HA ILE B 32 81.977 11.293 -11.157 1.00 0.00 H new ATOM 0 HB ILE B 32 84.179 13.204 -10.276 1.00 0.00 H new ATOM 0 HG12 ILE B 32 82.589 13.083 -8.445 1.00 0.00 H new ATOM 0 HG13 ILE B 32 82.267 14.564 -9.325 1.00 0.00 H new ATOM 0 HG21 ILE B 32 82.907 14.812 -11.675 1.00 0.00 H new ATOM 0 HG22 ILE B 32 83.437 13.408 -12.631 1.00 0.00 H new ATOM 0 HG23 ILE B 32 81.746 13.529 -12.090 1.00 0.00 H new ATOM 0 HD11 ILE B 32 80.153 13.367 -8.820 1.00 0.00 H new ATOM 0 HD12 ILE B 32 80.425 13.436 -10.578 1.00 0.00 H new ATOM 0 HD13 ILE B 32 80.752 11.932 -9.684 1.00 0.00 H new ATOM 610 N ILE B 33 85.189 10.701 -11.211 1.00 0.00 N ATOM 611 CA ILE B 33 86.280 10.204 -12.043 1.00 0.00 C ATOM 612 C ILE B 33 85.993 8.770 -12.496 1.00 0.00 C ATOM 613 O ILE B 33 86.428 8.351 -13.567 1.00 0.00 O ATOM 614 CB ILE B 33 87.613 10.268 -11.270 1.00 0.00 C ATOM 615 CG1 ILE B 33 87.840 11.713 -10.766 1.00 0.00 C ATOM 616 CG2 ILE B 33 88.773 9.851 -12.195 1.00 0.00 C ATOM 617 CD1 ILE B 33 89.307 11.929 -10.372 1.00 0.00 C ATOM 0 H ILE B 33 85.420 10.799 -10.222 1.00 0.00 H new ATOM 0 HA ILE B 33 86.361 10.836 -12.927 1.00 0.00 H new ATOM 0 HB ILE B 33 87.575 9.587 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE B 33 87.560 12.423 -11.544 1.00 0.00 H new ATOM 0 HG13 ILE B 33 87.196 11.909 -9.909 1.00 0.00 H new ATOM 0 HG21 ILE B 33 89.712 9.898 -11.644 1.00 0.00 H new ATOM 0 HG22 ILE B 33 88.609 8.833 -12.547 1.00 0.00 H new ATOM 0 HG23 ILE B 33 88.819 10.527 -13.049 1.00 0.00 H new ATOM 0 HD11 ILE B 33 89.443 12.952 -10.021 1.00 0.00 H new ATOM 0 HD12 ILE B 33 89.576 11.234 -9.577 1.00 0.00 H new ATOM 0 HD13 ILE B 33 89.946 11.755 -11.238 1.00 0.00 H new ATOM 629 N GLY B 34 85.276 8.036 -11.688 1.00 0.00 N ATOM 630 CA GLY B 34 84.948 6.651 -12.017 1.00 0.00 C ATOM 631 C GLY B 34 83.996 6.565 -13.206 1.00 0.00 C ATOM 632 O GLY B 34 84.225 5.796 -14.140 1.00 0.00 O ATOM 0 H GLY B 34 84.903 8.361 -10.796 1.00 0.00 H new ATOM 0 HA2 GLY B 34 85.863 6.104 -12.243 1.00 0.00 H new ATOM 0 HA3 GLY B 34 84.494 6.169 -11.151 1.00 0.00 H new ATOM 636 N ILE B 35 82.946 7.338 -13.167 1.00 0.00 N ATOM 637 CA ILE B 35 81.967 7.331 -14.251 1.00 0.00 C ATOM 638 C ILE B 35 82.602 7.817 -15.552 1.00 0.00 C ATOM 639 O ILE B 35 82.368 7.243 -16.616 1.00 0.00 O ATOM 640 CB ILE B 35 80.763 8.209 -13.891 1.00 0.00 C ATOM 641 CG1 ILE B 35 81.248 9.583 -13.418 1.00 0.00 C ATOM 642 CG2 ILE B 35 79.957 7.541 -12.771 1.00 0.00 C ATOM 643 CD1 ILE B 35 80.049 10.434 -12.992 1.00 0.00 C ATOM 0 H ILE B 35 82.735 7.983 -12.405 1.00 0.00 H new ATOM 0 HA ILE B 35 81.623 6.307 -14.394 1.00 0.00 H new ATOM 0 HB ILE B 35 80.132 8.331 -14.772 1.00 0.00 H new ATOM 0 HG12 ILE B 35 81.940 9.468 -12.583 1.00 0.00 H new ATOM 0 HG13 ILE B 35 81.795 10.082 -14.218 1.00 0.00 H new ATOM 0 HG21 ILE B 35 79.101 8.166 -12.516 1.00 0.00 H new ATOM 0 HG22 ILE B 35 79.606 6.565 -13.107 1.00 0.00 H new ATOM 0 HG23 ILE B 35 80.590 7.416 -11.892 1.00 0.00 H new ATOM 0 HD11 ILE B 35 80.397 11.411 -12.656 1.00 0.00 H new ATOM 0 HD12 ILE B 35 79.374 10.561 -13.838 1.00 0.00 H new ATOM 0 HD13 ILE B 35 79.521 9.937 -12.178 1.00 0.00 H new ATOM 655 N LEU B 36 83.395 8.851 -15.467 1.00 0.00 N ATOM 656 CA LEU B 36 84.052 9.387 -16.653 1.00 0.00 C ATOM 657 C LEU B 36 84.948 8.319 -17.272 1.00 0.00 C ATOM 658 O LEU B 36 84.962 8.129 -18.488 1.00 0.00 O ATOM 659 CB LEU B 36 84.882 10.624 -16.281 1.00 0.00 C ATOM 660 CG LEU B 36 85.678 11.126 -17.497 1.00 0.00 C ATOM 661 CD1 LEU B 36 84.735 11.378 -18.684 1.00 0.00 C ATOM 662 CD2 LEU B 36 86.386 12.432 -17.122 1.00 0.00 C ATOM 0 H LEU B 36 83.608 9.344 -14.600 1.00 0.00 H new ATOM 0 HA LEU B 36 83.294 9.680 -17.380 1.00 0.00 H new ATOM 0 HB2 LEU B 36 84.225 11.414 -15.918 1.00 0.00 H new ATOM 0 HB3 LEU B 36 85.565 10.379 -15.468 1.00 0.00 H new ATOM 0 HG LEU B 36 86.410 10.371 -17.785 1.00 0.00 H new ATOM 0 HD11 LEU B 36 85.312 11.733 -19.538 1.00 0.00 H new ATOM 0 HD12 LEU B 36 84.228 10.450 -18.949 1.00 0.00 H new ATOM 0 HD13 LEU B 36 83.995 12.130 -18.408 1.00 0.00 H new ATOM 0 HD21 LEU B 36 86.954 12.797 -17.978 1.00 0.00 H new ATOM 0 HD22 LEU B 36 85.645 13.178 -16.834 1.00 0.00 H new ATOM 0 HD23 LEU B 36 87.063 12.252 -16.287 1.00 0.00 H new ATOM 674 N HIS B 37 85.680 7.641 -16.434 1.00 0.00 N ATOM 675 CA HIS B 37 86.584 6.589 -16.885 1.00 0.00 C ATOM 676 C HIS B 37 85.861 5.619 -17.817 1.00 0.00 C ATOM 677 O HIS B 37 86.393 5.231 -18.856 1.00 0.00 O ATOM 678 CB HIS B 37 87.111 5.834 -15.664 1.00 0.00 C ATOM 679 CG HIS B 37 88.299 4.994 -16.041 1.00 0.00 C ATOM 680 ND1 HIS B 37 88.249 3.609 -16.049 1.00 0.00 N ATOM 681 CD2 HIS B 37 89.584 5.324 -16.396 1.00 0.00 C ATOM 682 CE1 HIS B 37 89.469 3.161 -16.393 1.00 0.00 C ATOM 683 NE2 HIS B 37 90.320 4.164 -16.617 1.00 0.00 N ATOM 0 H HIS B 37 85.677 7.790 -15.425 1.00 0.00 H new ATOM 0 HA HIS B 37 87.411 7.039 -17.434 1.00 0.00 H new ATOM 0 HB2 HIS B 37 87.391 6.542 -14.884 1.00 0.00 H new ATOM 0 HB3 HIS B 37 86.325 5.200 -15.253 1.00 0.00 H new ATOM 0 HD2 HIS B 37 89.965 6.330 -16.489 1.00 0.00 H new ATOM 0 HE1 HIS B 37 89.729 2.116 -16.478 1.00 0.00 H new ATOM 0 HE2 HIS B 37 91.300 4.095 -16.891 1.00 0.00 H new ATOM 692 N PHE B 38 84.670 5.238 -17.442 1.00 0.00 N ATOM 693 CA PHE B 38 83.883 4.311 -18.249 1.00 0.00 C ATOM 694 C PHE B 38 83.404 4.970 -19.541 1.00 0.00 C ATOM 695 O PHE B 38 83.352 4.328 -20.590 1.00 0.00 O ATOM 696 CB PHE B 38 82.673 3.823 -17.449 1.00 0.00 C ATOM 697 CG PHE B 38 81.938 2.767 -18.241 1.00 0.00 C ATOM 698 CD1 PHE B 38 80.936 3.142 -19.144 1.00 0.00 C ATOM 699 CD2 PHE B 38 82.260 1.415 -18.074 1.00 0.00 C ATOM 700 CE1 PHE B 38 80.254 2.165 -19.878 1.00 0.00 C ATOM 701 CE2 PHE B 38 81.577 0.437 -18.809 1.00 0.00 C ATOM 702 CZ PHE B 38 80.575 0.812 -19.711 1.00 0.00 C ATOM 0 H PHE B 38 84.213 5.548 -16.585 1.00 0.00 H new ATOM 0 HA PHE B 38 84.521 3.466 -18.509 1.00 0.00 H new ATOM 0 HB2 PHE B 38 82.997 3.415 -16.492 1.00 0.00 H new ATOM 0 HB3 PHE B 38 82.007 4.658 -17.231 1.00 0.00 H new ATOM 0 HD1 PHE B 38 80.689 4.185 -19.274 1.00 0.00 H new ATOM 0 HD2 PHE B 38 83.034 1.126 -17.379 1.00 0.00 H new ATOM 0 HE1 PHE B 38 79.480 2.454 -20.573 1.00 0.00 H new ATOM 0 HE2 PHE B 38 81.824 -0.606 -18.679 1.00 0.00 H new ATOM 0 HZ PHE B 38 80.049 0.058 -20.278 1.00 0.00 H new ATOM 712 N ILE B 39 83.051 6.225 -19.460 1.00 0.00 N ATOM 713 CA ILE B 39 82.567 6.946 -20.633 1.00 0.00 C ATOM 714 C ILE B 39 83.656 7.042 -21.700 1.00 0.00 C ATOM 715 O ILE B 39 83.384 6.872 -22.883 1.00 0.00 O ATOM 716 CB ILE B 39 82.090 8.349 -20.235 1.00 0.00 C ATOM 717 CG1 ILE B 39 80.835 8.219 -19.360 1.00 0.00 C ATOM 718 CG2 ILE B 39 81.754 9.157 -21.496 1.00 0.00 C ATOM 719 CD1 ILE B 39 80.432 9.590 -18.805 1.00 0.00 C ATOM 0 H ILE B 39 83.085 6.778 -18.603 1.00 0.00 H new ATOM 0 HA ILE B 39 81.726 6.392 -21.051 1.00 0.00 H new ATOM 0 HB ILE B 39 82.876 8.861 -19.681 1.00 0.00 H new ATOM 0 HG12 ILE B 39 80.016 7.801 -19.946 1.00 0.00 H new ATOM 0 HG13 ILE B 39 81.025 7.528 -18.539 1.00 0.00 H new ATOM 0 HG21 ILE B 39 81.415 10.153 -21.210 1.00 0.00 H new ATOM 0 HG22 ILE B 39 82.643 9.241 -22.122 1.00 0.00 H new ATOM 0 HG23 ILE B 39 80.965 8.651 -22.053 1.00 0.00 H new ATOM 0 HD11 ILE B 39 79.541 9.484 -18.186 1.00 0.00 H new ATOM 0 HD12 ILE B 39 81.246 9.992 -18.203 1.00 0.00 H new ATOM 0 HD13 ILE B 39 80.222 10.269 -19.631 1.00 0.00 H new ATOM 731 N ALA B 40 84.859 7.325 -21.291 1.00 0.00 N ATOM 732 CA ALA B 40 85.967 7.443 -22.235 1.00 0.00 C ATOM 733 C ALA B 40 86.372 6.075 -22.791 1.00 0.00 C ATOM 734 O ALA B 40 86.756 5.952 -23.951 1.00 0.00 O ATOM 735 CB ALA B 40 87.168 8.083 -21.538 1.00 0.00 C ATOM 0 H ALA B 40 85.112 7.481 -20.315 1.00 0.00 H new ATOM 0 HA ALA B 40 85.640 8.068 -23.066 1.00 0.00 H new ATOM 0 HB1 ALA B 40 87.994 8.170 -22.244 1.00 0.00 H new ATOM 0 HB2 ALA B 40 86.893 9.074 -21.176 1.00 0.00 H new ATOM 0 HB3 ALA B 40 87.474 7.462 -20.696 1.00 0.00 H new ATOM 741 N TRP B 41 86.323 5.086 -21.943 1.00 0.00 N ATOM 742 CA TRP B 41 86.727 3.721 -22.297 1.00 0.00 C ATOM 743 C TRP B 41 86.102 3.207 -23.595 1.00 0.00 C ATOM 744 O TRP B 41 86.788 2.595 -24.414 1.00 0.00 O ATOM 745 CB TRP B 41 86.338 2.782 -21.156 1.00 0.00 C ATOM 746 CG TRP B 41 86.967 1.448 -21.372 1.00 0.00 C ATOM 747 CD1 TRP B 41 86.597 0.560 -22.322 1.00 0.00 C ATOM 748 CD2 TRP B 41 88.065 0.837 -20.642 1.00 0.00 C ATOM 749 NE1 TRP B 41 87.404 -0.559 -22.221 1.00 0.00 N ATOM 750 CE2 TRP B 41 88.324 -0.435 -21.199 1.00 0.00 C ATOM 751 CE3 TRP B 41 88.855 1.262 -19.558 1.00 0.00 C ATOM 752 CZ2 TRP B 41 89.331 -1.258 -20.701 1.00 0.00 C ATOM 753 CZ3 TRP B 41 89.870 0.434 -19.054 1.00 0.00 C ATOM 754 CH2 TRP B 41 90.106 -0.822 -19.625 1.00 0.00 C ATOM 0 H TRP B 41 86.003 5.187 -20.980 1.00 0.00 H new ATOM 0 HA TRP B 41 87.805 3.744 -22.457 1.00 0.00 H new ATOM 0 HB2 TRP B 41 86.662 3.198 -20.202 1.00 0.00 H new ATOM 0 HB3 TRP B 41 85.254 2.681 -21.108 1.00 0.00 H new ATOM 0 HD1 TRP B 41 85.803 0.701 -23.041 1.00 0.00 H new ATOM 0 HE1 TRP B 41 87.329 -1.376 -22.827 1.00 0.00 H new ATOM 0 HE3 TRP B 41 88.680 2.230 -19.112 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 89.511 -2.226 -21.144 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 90.472 0.768 -18.222 1.00 0.00 H new ATOM 0 HH2 TRP B 41 90.889 -1.454 -19.233 1.00 0.00 H new ATOM 765 N THR B 42 84.834 3.422 -23.771 1.00 0.00 N ATOM 766 CA THR B 42 84.151 2.935 -24.971 1.00 0.00 C ATOM 767 C THR B 42 84.905 3.321 -26.246 1.00 0.00 C ATOM 768 O THR B 42 84.800 2.629 -27.259 1.00 0.00 O ATOM 769 CB THR B 42 82.713 3.471 -25.037 1.00 0.00 C ATOM 770 OG1 THR B 42 82.316 3.607 -26.394 1.00 0.00 O ATOM 771 CG2 THR B 42 82.647 4.829 -24.351 1.00 0.00 C ATOM 0 H THR B 42 84.238 3.926 -23.114 1.00 0.00 H new ATOM 0 HA THR B 42 84.124 1.847 -24.905 1.00 0.00 H new ATOM 0 HB THR B 42 82.044 2.774 -24.533 1.00 0.00 H new ATOM 0 HG1 THR B 42 81.398 3.947 -26.434 1.00 0.00 H new ATOM 0 HG21 THR B 42 81.627 5.211 -24.397 1.00 0.00 H new ATOM 0 HG22 THR B 42 82.949 4.725 -23.309 1.00 0.00 H new ATOM 0 HG23 THR B 42 83.318 5.524 -24.855 1.00 0.00 H new ATOM 779 N ILE B 43 85.635 4.404 -26.209 1.00 0.00 N ATOM 780 CA ILE B 43 86.370 4.845 -27.393 1.00 0.00 C ATOM 781 C ILE B 43 87.306 3.746 -27.907 1.00 0.00 C ATOM 782 O ILE B 43 87.330 3.451 -29.101 1.00 0.00 O ATOM 783 CB ILE B 43 87.174 6.125 -27.073 1.00 0.00 C ATOM 784 CG1 ILE B 43 87.548 6.845 -28.382 1.00 0.00 C ATOM 785 CG2 ILE B 43 88.463 5.778 -26.316 1.00 0.00 C ATOM 786 CD1 ILE B 43 86.299 7.431 -29.066 1.00 0.00 C ATOM 0 H ILE B 43 85.744 5.000 -25.388 1.00 0.00 H new ATOM 0 HA ILE B 43 85.646 5.064 -28.178 1.00 0.00 H new ATOM 0 HB ILE B 43 86.554 6.772 -26.452 1.00 0.00 H new ATOM 0 HG12 ILE B 43 88.260 7.643 -28.172 1.00 0.00 H new ATOM 0 HG13 ILE B 43 88.043 6.146 -29.057 1.00 0.00 H new ATOM 0 HG21 ILE B 43 89.015 6.692 -26.100 1.00 0.00 H new ATOM 0 HG22 ILE B 43 88.212 5.276 -25.382 1.00 0.00 H new ATOM 0 HG23 ILE B 43 89.078 5.119 -26.928 1.00 0.00 H new ATOM 0 HD11 ILE B 43 86.591 7.934 -29.988 1.00 0.00 H new ATOM 0 HD12 ILE B 43 85.600 6.627 -29.297 1.00 0.00 H new ATOM 0 HD13 ILE B 43 85.821 8.147 -28.398 1.00 0.00 H new ATOM 798 N GLY B 44 88.069 3.169 -27.021 1.00 0.00 N ATOM 799 CA GLY B 44 89.012 2.121 -27.399 1.00 0.00 C ATOM 800 C GLY B 44 88.317 0.947 -28.080 1.00 0.00 C ATOM 801 O GLY B 44 88.915 0.261 -28.909 1.00 0.00 O ATOM 0 H GLY B 44 88.066 3.398 -26.027 1.00 0.00 H new ATOM 0 HA2 GLY B 44 89.765 2.535 -28.069 1.00 0.00 H new ATOM 0 HA3 GLY B 44 89.536 1.767 -26.511 1.00 0.00 H new ATOM 805 N HIS B 45 87.085 0.713 -27.727 1.00 0.00 N ATOM 806 CA HIS B 45 86.329 -0.392 -28.302 1.00 0.00 C ATOM 807 C HIS B 45 86.341 -0.352 -29.830 1.00 0.00 C ATOM 808 O HIS B 45 86.242 -1.391 -30.484 1.00 0.00 O ATOM 809 CB HIS B 45 84.883 -0.338 -27.803 1.00 0.00 C ATOM 810 CG HIS B 45 84.184 -1.628 -28.133 1.00 0.00 C ATOM 811 ND1 HIS B 45 82.937 -1.659 -28.738 1.00 0.00 N ATOM 812 CD2 HIS B 45 84.540 -2.941 -27.941 1.00 0.00 C ATOM 813 CE1 HIS B 45 82.591 -2.951 -28.890 1.00 0.00 C ATOM 814 NE2 HIS B 45 83.532 -3.774 -28.420 1.00 0.00 N ATOM 0 H HIS B 45 86.571 1.268 -27.043 1.00 0.00 H new ATOM 0 HA HIS B 45 86.803 -1.321 -27.986 1.00 0.00 H new ATOM 0 HB2 HIS B 45 84.866 -0.169 -26.726 1.00 0.00 H new ATOM 0 HB3 HIS B 45 84.360 0.499 -28.265 1.00 0.00 H new ATOM 0 HD2 HIS B 45 85.461 -3.276 -27.488 1.00 0.00 H new ATOM 0 HE1 HIS B 45 81.665 -3.282 -29.337 1.00 0.00 H new ATOM 0 HE2 HIS B 45 83.516 -4.794 -28.413 1.00 0.00 H new ATOM 823 N LEU B 46 86.440 0.825 -30.386 1.00 0.00 N ATOM 824 CA LEU B 46 86.438 0.969 -31.840 1.00 0.00 C ATOM 825 C LEU B 46 87.453 0.030 -32.499 1.00 0.00 C ATOM 826 O LEU B 46 87.225 -0.452 -33.608 1.00 0.00 O ATOM 827 CB LEU B 46 86.707 2.433 -32.231 1.00 0.00 C ATOM 828 CG LEU B 46 88.202 2.788 -32.053 1.00 0.00 C ATOM 829 CD1 LEU B 46 89.050 2.311 -33.267 1.00 0.00 C ATOM 830 CD2 LEU B 46 88.343 4.314 -31.890 1.00 0.00 C ATOM 0 H LEU B 46 86.523 1.701 -29.870 1.00 0.00 H new ATOM 0 HA LEU B 46 85.451 0.687 -32.206 1.00 0.00 H new ATOM 0 HB2 LEU B 46 86.411 2.597 -33.267 1.00 0.00 H new ATOM 0 HB3 LEU B 46 86.097 3.095 -31.617 1.00 0.00 H new ATOM 0 HG LEU B 46 88.573 2.277 -31.165 1.00 0.00 H new ATOM 0 HD11 LEU B 46 90.095 2.577 -33.108 1.00 0.00 H new ATOM 0 HD12 LEU B 46 88.962 1.229 -33.369 1.00 0.00 H new ATOM 0 HD13 LEU B 46 88.687 2.792 -34.175 1.00 0.00 H new ATOM 0 HD21 LEU B 46 89.395 4.571 -31.764 1.00 0.00 H new ATOM 0 HD22 LEU B 46 87.951 4.812 -32.777 1.00 0.00 H new ATOM 0 HD23 LEU B 46 87.783 4.640 -31.014 1.00 0.00 H new ATOM 842 N ASN B 47 88.555 -0.208 -31.843 1.00 0.00 N ATOM 843 CA ASN B 47 89.596 -1.078 -32.400 1.00 0.00 C ATOM 844 C ASN B 47 89.118 -2.522 -32.598 1.00 0.00 C ATOM 845 O ASN B 47 89.315 -3.100 -33.667 1.00 0.00 O ATOM 846 CB ASN B 47 90.814 -1.083 -31.471 1.00 0.00 C ATOM 847 CG ASN B 47 91.295 0.341 -31.223 1.00 0.00 C ATOM 848 OD1 ASN B 47 90.570 1.153 -30.649 1.00 0.00 O ATOM 849 ND2 ASN B 47 92.486 0.696 -31.624 1.00 0.00 N ATOM 0 H ASN B 47 88.770 0.179 -30.924 1.00 0.00 H new ATOM 0 HA ASN B 47 89.855 -0.676 -33.380 1.00 0.00 H new ATOM 0 HB2 ASN B 47 90.556 -1.557 -30.524 1.00 0.00 H new ATOM 0 HB3 ASN B 47 91.616 -1.673 -31.915 1.00 0.00 H new ATOM 0 HD21 ASN B 47 92.816 1.647 -31.462 1.00 0.00 H new ATOM 0 HD22 ASN B 47 93.086 0.022 -32.100 1.00 0.00 H new ATOM 856 N GLN B 48 88.538 -3.103 -31.583 1.00 0.00 N ATOM 857 CA GLN B 48 88.085 -4.469 -31.642 1.00 0.00 C ATOM 858 C GLN B 48 86.917 -4.655 -32.610 1.00 0.00 C ATOM 859 O GLN B 48 86.973 -5.487 -33.516 1.00 0.00 O ATOM 860 CB GLN B 48 87.676 -4.909 -30.219 1.00 0.00 C ATOM 861 CG GLN B 48 88.248 -3.964 -29.151 1.00 0.00 C ATOM 862 CD GLN B 48 89.762 -3.828 -29.303 1.00 0.00 C ATOM 863 OE1 GLN B 48 90.321 -4.165 -30.346 1.00 0.00 O ATOM 864 NE2 GLN B 48 90.465 -3.355 -28.310 1.00 0.00 N ATOM 0 H GLN B 48 88.365 -2.643 -30.689 1.00 0.00 H new ATOM 0 HA GLN B 48 88.900 -5.087 -32.017 1.00 0.00 H new ATOM 0 HB2 GLN B 48 86.589 -4.931 -30.142 1.00 0.00 H new ATOM 0 HB3 GLN B 48 88.029 -5.924 -30.035 1.00 0.00 H new ATOM 0 HG2 GLN B 48 87.780 -2.984 -29.238 1.00 0.00 H new ATOM 0 HG3 GLN B 48 88.010 -4.344 -28.157 1.00 0.00 H new ATOM 0 HE21 GLN B 48 90.002 -3.075 -27.445 1.00 0.00 H new ATOM 0 HE22 GLN B 48 91.477 -3.265 -28.399 1.00 0.00 H new ATOM 873 N ILE B 49 85.876 -3.912 -32.397 1.00 0.00 N ATOM 874 CA ILE B 49 84.688 -4.025 -33.240 1.00 0.00 C ATOM 875 C ILE B 49 85.063 -3.949 -34.721 1.00 0.00 C ATOM 876 O ILE B 49 84.926 -4.935 -35.447 1.00 0.00 O ATOM 877 CB ILE B 49 83.657 -2.942 -32.867 1.00 0.00 C ATOM 878 CG1 ILE B 49 82.394 -3.090 -33.735 1.00 0.00 C ATOM 879 CG2 ILE B 49 84.249 -1.536 -33.054 1.00 0.00 C ATOM 880 CD1 ILE B 49 81.733 -4.453 -33.488 1.00 0.00 C ATOM 0 H ILE B 49 85.808 -3.217 -31.653 1.00 0.00 H new ATOM 0 HA ILE B 49 84.231 -4.999 -33.065 1.00 0.00 H new ATOM 0 HB ILE B 49 83.392 -3.073 -31.818 1.00 0.00 H new ATOM 0 HG12 ILE B 49 81.690 -2.290 -33.504 1.00 0.00 H new ATOM 0 HG13 ILE B 49 82.655 -2.991 -34.789 1.00 0.00 H new ATOM 0 HG21 ILE B 49 83.503 -0.788 -32.785 1.00 0.00 H new ATOM 0 HG22 ILE B 49 85.124 -1.422 -32.415 1.00 0.00 H new ATOM 0 HG23 ILE B 49 84.540 -1.399 -34.096 1.00 0.00 H new ATOM 0 HD11 ILE B 49 80.841 -4.543 -34.109 1.00 0.00 H new ATOM 0 HD12 ILE B 49 82.434 -5.248 -33.742 1.00 0.00 H new ATOM 0 HD13 ILE B 49 81.454 -4.537 -32.438 1.00 0.00 H new ATOM 967 N PRO C 25 94.320 8.496 5.678 1.00 0.00 N ATOM 968 CA PRO C 25 94.478 9.131 4.335 1.00 0.00 C ATOM 969 C PRO C 25 94.829 8.106 3.255 1.00 0.00 C ATOM 970 O PRO C 25 95.343 8.458 2.194 1.00 0.00 O ATOM 971 CB PRO C 25 95.625 10.126 4.553 1.00 0.00 C ATOM 972 CG PRO C 25 96.461 9.507 5.627 1.00 0.00 C ATOM 973 CD PRO C 25 95.488 8.751 6.541 1.00 0.00 C ATOM 0 HA PRO C 25 93.560 9.601 3.982 1.00 0.00 H new ATOM 0 HB2 PRO C 25 96.200 10.275 3.639 1.00 0.00 H new ATOM 0 HB3 PRO C 25 95.250 11.103 4.856 1.00 0.00 H new ATOM 0 HG2 PRO C 25 97.202 8.830 5.202 1.00 0.00 H new ATOM 0 HG3 PRO C 25 97.007 10.269 6.184 1.00 0.00 H new ATOM 0 HD2 PRO C 25 95.924 7.822 6.908 1.00 0.00 H new ATOM 0 HD3 PRO C 25 95.218 9.344 7.415 1.00 0.00 H new ATOM 981 N LEU C 26 94.552 6.862 3.533 1.00 0.00 N ATOM 982 CA LEU C 26 94.844 5.793 2.582 1.00 0.00 C ATOM 983 C LEU C 26 93.961 5.920 1.341 1.00 0.00 C ATOM 984 O LEU C 26 94.427 5.745 0.215 1.00 0.00 O ATOM 985 CB LEU C 26 94.614 4.426 3.246 1.00 0.00 C ATOM 986 CG LEU C 26 95.813 4.066 4.130 1.00 0.00 C ATOM 987 CD1 LEU C 26 95.977 5.119 5.230 1.00 0.00 C ATOM 988 CD2 LEU C 26 95.580 2.694 4.767 1.00 0.00 C ATOM 0 H LEU C 26 94.125 6.551 4.405 1.00 0.00 H new ATOM 0 HA LEU C 26 95.887 5.876 2.277 1.00 0.00 H new ATOM 0 HB2 LEU C 26 93.704 4.452 3.846 1.00 0.00 H new ATOM 0 HB3 LEU C 26 94.471 3.661 2.483 1.00 0.00 H new ATOM 0 HG LEU C 26 96.717 4.038 3.521 1.00 0.00 H new ATOM 0 HD11 LEU C 26 96.830 4.860 5.857 1.00 0.00 H new ATOM 0 HD12 LEU C 26 96.143 6.096 4.776 1.00 0.00 H new ATOM 0 HD13 LEU C 26 95.075 5.151 5.841 1.00 0.00 H new ATOM 0 HD21 LEU C 26 96.432 2.436 5.396 1.00 0.00 H new ATOM 0 HD22 LEU C 26 94.676 2.724 5.375 1.00 0.00 H new ATOM 0 HD23 LEU C 26 95.467 1.944 3.984 1.00 0.00 H new ATOM 1000 N VAL C 27 92.705 6.211 1.551 1.00 0.00 N ATOM 1001 CA VAL C 27 91.764 6.350 0.444 1.00 0.00 C ATOM 1002 C VAL C 27 92.049 7.611 -0.368 1.00 0.00 C ATOM 1003 O VAL C 27 91.978 7.599 -1.596 1.00 0.00 O ATOM 1004 CB VAL C 27 90.335 6.405 0.986 1.00 0.00 C ATOM 1005 CG1 VAL C 27 90.152 7.676 1.818 1.00 0.00 C ATOM 1006 CG2 VAL C 27 89.348 6.415 -0.184 1.00 0.00 C ATOM 0 H VAL C 27 92.298 6.359 2.475 1.00 0.00 H new ATOM 0 HA VAL C 27 91.880 5.486 -0.211 1.00 0.00 H new ATOM 0 HB VAL C 27 90.150 5.532 1.612 1.00 0.00 H new ATOM 0 HG11 VAL C 27 89.133 7.715 2.204 1.00 0.00 H new ATOM 0 HG12 VAL C 27 90.856 7.670 2.651 1.00 0.00 H new ATOM 0 HG13 VAL C 27 90.337 8.550 1.193 1.00 0.00 H new ATOM 0 HG21 VAL C 27 88.329 6.454 0.200 1.00 0.00 H new ATOM 0 HG22 VAL C 27 89.534 7.288 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL C 27 89.478 5.510 -0.777 1.00 0.00 H new ATOM 1016 N VAL C 28 92.359 8.678 0.316 1.00 0.00 N ATOM 1017 CA VAL C 28 92.645 9.945 -0.349 1.00 0.00 C ATOM 1018 C VAL C 28 93.899 9.832 -1.211 1.00 0.00 C ATOM 1019 O VAL C 28 93.918 10.268 -2.360 1.00 0.00 O ATOM 1020 CB VAL C 28 92.838 11.047 0.695 1.00 0.00 C ATOM 1021 CG1 VAL C 28 93.186 12.362 -0.004 1.00 0.00 C ATOM 1022 CG2 VAL C 28 91.543 11.221 1.493 1.00 0.00 C ATOM 0 H VAL C 28 92.423 8.708 1.334 1.00 0.00 H new ATOM 0 HA VAL C 28 91.801 10.194 -0.992 1.00 0.00 H new ATOM 0 HB VAL C 28 93.649 10.771 1.369 1.00 0.00 H new ATOM 0 HG11 VAL C 28 93.323 13.145 0.742 1.00 0.00 H new ATOM 0 HG12 VAL C 28 94.107 12.239 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL C 28 92.376 12.641 -0.679 1.00 0.00 H new ATOM 0 HG21 VAL C 28 91.677 12.005 2.238 1.00 0.00 H new ATOM 0 HG22 VAL C 28 90.733 11.497 0.817 1.00 0.00 H new ATOM 0 HG23 VAL C 28 91.295 10.285 1.993 1.00 0.00 H new ATOM 1032 N ALA C 29 94.928 9.260 -0.650 1.00 0.00 N ATOM 1033 CA ALA C 29 96.186 9.102 -1.370 1.00 0.00 C ATOM 1034 C ALA C 29 95.973 8.351 -2.680 1.00 0.00 C ATOM 1035 O ALA C 29 96.560 8.697 -3.701 1.00 0.00 O ATOM 1036 CB ALA C 29 97.193 8.344 -0.501 1.00 0.00 C ATOM 0 H ALA C 29 94.932 8.892 0.301 1.00 0.00 H new ATOM 0 HA ALA C 29 96.575 10.094 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA C 29 98.130 8.230 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA C 29 97.373 8.902 0.418 1.00 0.00 H new ATOM 0 HB3 ALA C 29 96.794 7.360 -0.256 1.00 0.00 H new ATOM 1042 N ALA C 30 95.150 7.341 -2.645 1.00 0.00 N ATOM 1043 CA ALA C 30 94.873 6.546 -3.838 1.00 0.00 C ATOM 1044 C ALA C 30 94.174 7.384 -4.909 1.00 0.00 C ATOM 1045 O ALA C 30 94.316 7.124 -6.103 1.00 0.00 O ATOM 1046 CB ALA C 30 93.993 5.350 -3.473 1.00 0.00 C ATOM 0 H ALA C 30 94.652 7.038 -1.808 1.00 0.00 H new ATOM 0 HA ALA C 30 95.824 6.196 -4.239 1.00 0.00 H new ATOM 0 HB1 ALA C 30 93.790 4.761 -4.368 1.00 0.00 H new ATOM 0 HB2 ALA C 30 94.508 4.730 -2.739 1.00 0.00 H new ATOM 0 HB3 ALA C 30 93.053 5.705 -3.052 1.00 0.00 H new ATOM 1052 N SER C 31 93.422 8.361 -4.480 1.00 0.00 N ATOM 1053 CA SER C 31 92.691 9.221 -5.407 1.00 0.00 C ATOM 1054 C SER C 31 93.612 9.806 -6.478 1.00 0.00 C ATOM 1055 O SER C 31 93.261 9.843 -7.657 1.00 0.00 O ATOM 1056 CB SER C 31 92.021 10.361 -4.639 1.00 0.00 C ATOM 1057 OG SER C 31 91.130 11.052 -5.505 1.00 0.00 O ATOM 0 H SER C 31 93.291 8.592 -3.495 1.00 0.00 H new ATOM 0 HA SER C 31 91.937 8.609 -5.902 1.00 0.00 H new ATOM 0 HB2 SER C 31 91.478 9.966 -3.780 1.00 0.00 H new ATOM 0 HB3 SER C 31 92.775 11.047 -4.252 1.00 0.00 H new ATOM 0 HG SER C 31 90.698 11.782 -5.015 1.00 0.00 H new ATOM 1063 N ILE C 32 94.762 10.269 -6.069 1.00 0.00 N ATOM 1064 CA ILE C 32 95.713 10.869 -7.006 1.00 0.00 C ATOM 1065 C ILE C 32 95.938 9.967 -8.223 1.00 0.00 C ATOM 1066 O ILE C 32 96.240 10.448 -9.315 1.00 0.00 O ATOM 1067 CB ILE C 32 97.052 11.128 -6.297 1.00 0.00 C ATOM 1068 CG1 ILE C 32 97.882 12.121 -7.120 1.00 0.00 C ATOM 1069 CG2 ILE C 32 97.837 9.812 -6.137 1.00 0.00 C ATOM 1070 CD1 ILE C 32 99.184 12.434 -6.382 1.00 0.00 C ATOM 0 H ILE C 32 95.076 10.249 -5.099 1.00 0.00 H new ATOM 0 HA ILE C 32 95.294 11.813 -7.355 1.00 0.00 H new ATOM 0 HB ILE C 32 96.854 11.543 -5.309 1.00 0.00 H new ATOM 0 HG12 ILE C 32 98.100 11.702 -8.102 1.00 0.00 H new ATOM 0 HG13 ILE C 32 97.315 13.037 -7.283 1.00 0.00 H new ATOM 0 HG21 ILE C 32 98.783 10.011 -5.633 1.00 0.00 H new ATOM 0 HG22 ILE C 32 97.252 9.109 -5.545 1.00 0.00 H new ATOM 0 HG23 ILE C 32 98.033 9.383 -7.120 1.00 0.00 H new ATOM 0 HD11 ILE C 32 99.773 13.140 -6.967 1.00 0.00 H new ATOM 0 HD12 ILE C 32 98.955 12.871 -5.410 1.00 0.00 H new ATOM 0 HD13 ILE C 32 99.753 11.515 -6.242 1.00 0.00 H new ATOM 1082 N ILE C 33 95.805 8.686 -8.024 1.00 0.00 N ATOM 1083 CA ILE C 33 96.012 7.726 -9.105 1.00 0.00 C ATOM 1084 C ILE C 33 94.904 7.833 -10.154 1.00 0.00 C ATOM 1085 O ILE C 33 95.134 7.573 -11.334 1.00 0.00 O ATOM 1086 CB ILE C 33 96.072 6.293 -8.534 1.00 0.00 C ATOM 1087 CG1 ILE C 33 97.182 6.222 -7.462 1.00 0.00 C ATOM 1088 CG2 ILE C 33 96.376 5.287 -9.663 1.00 0.00 C ATOM 1089 CD1 ILE C 33 97.526 4.763 -7.137 1.00 0.00 C ATOM 0 H ILE C 33 95.554 8.269 -7.128 1.00 0.00 H new ATOM 0 HA ILE C 33 96.960 7.956 -9.591 1.00 0.00 H new ATOM 0 HB ILE C 33 95.111 6.041 -8.087 1.00 0.00 H new ATOM 0 HG12 ILE C 33 98.072 6.741 -7.818 1.00 0.00 H new ATOM 0 HG13 ILE C 33 96.855 6.734 -6.557 1.00 0.00 H new ATOM 0 HG21 ILE C 33 96.416 4.279 -9.251 1.00 0.00 H new ATOM 0 HG22 ILE C 33 95.591 5.339 -10.418 1.00 0.00 H new ATOM 0 HG23 ILE C 33 97.335 5.531 -10.119 1.00 0.00 H new ATOM 0 HD11 ILE C 33 98.310 4.734 -6.380 1.00 0.00 H new ATOM 0 HD12 ILE C 33 96.638 4.255 -6.760 1.00 0.00 H new ATOM 0 HD13 ILE C 33 97.875 4.262 -8.040 1.00 0.00 H new ATOM 1101 N GLY C 34 93.722 8.197 -9.733 1.00 0.00 N ATOM 1102 CA GLY C 34 92.600 8.309 -10.662 1.00 0.00 C ATOM 1103 C GLY C 34 92.783 9.464 -11.644 1.00 0.00 C ATOM 1104 O GLY C 34 92.644 9.288 -12.853 1.00 0.00 O ATOM 0 H GLY C 34 93.500 8.422 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY C 34 92.493 7.376 -11.216 1.00 0.00 H new ATOM 0 HA3 GLY C 34 91.677 8.454 -10.100 1.00 0.00 H new ATOM 1108 N ILE C 35 93.085 10.621 -11.132 1.00 0.00 N ATOM 1109 CA ILE C 35 93.276 11.790 -11.985 1.00 0.00 C ATOM 1110 C ILE C 35 94.513 11.622 -12.862 1.00 0.00 C ATOM 1111 O ILE C 35 94.586 12.170 -13.962 1.00 0.00 O ATOM 1112 CB ILE C 35 93.405 13.051 -11.115 1.00 0.00 C ATOM 1113 CG1 ILE C 35 93.823 14.275 -11.987 1.00 0.00 C ATOM 1114 CG2 ILE C 35 94.420 12.794 -9.994 1.00 0.00 C ATOM 1115 CD1 ILE C 35 95.338 14.542 -11.910 1.00 0.00 C ATOM 0 H ILE C 35 93.207 10.795 -10.134 1.00 0.00 H new ATOM 0 HA ILE C 35 92.409 11.893 -12.638 1.00 0.00 H new ATOM 0 HB ILE C 35 92.440 13.283 -10.665 1.00 0.00 H new ATOM 0 HG12 ILE C 35 93.538 14.097 -13.024 1.00 0.00 H new ATOM 0 HG13 ILE C 35 93.281 15.160 -11.655 1.00 0.00 H new ATOM 0 HG21 ILE C 35 94.513 13.687 -9.376 1.00 0.00 H new ATOM 0 HG22 ILE C 35 94.080 11.961 -9.379 1.00 0.00 H new ATOM 0 HG23 ILE C 35 95.389 12.551 -10.429 1.00 0.00 H new ATOM 0 HD11 ILE C 35 95.588 15.402 -12.531 1.00 0.00 H new ATOM 0 HD12 ILE C 35 95.619 14.746 -10.877 1.00 0.00 H new ATOM 0 HD13 ILE C 35 95.880 13.667 -12.267 1.00 0.00 H new ATOM 1127 N LEU C 36 95.473 10.889 -12.369 1.00 0.00 N ATOM 1128 CA LEU C 36 96.714 10.671 -13.105 1.00 0.00 C ATOM 1129 C LEU C 36 96.462 9.975 -14.446 1.00 0.00 C ATOM 1130 O LEU C 36 96.987 10.401 -15.474 1.00 0.00 O ATOM 1131 CB LEU C 36 97.674 9.830 -12.253 1.00 0.00 C ATOM 1132 CG LEU C 36 98.938 9.469 -13.051 1.00 0.00 C ATOM 1133 CD1 LEU C 36 99.584 10.736 -13.627 1.00 0.00 C ATOM 1134 CD2 LEU C 36 99.931 8.770 -12.116 1.00 0.00 C ATOM 0 H LEU C 36 95.432 10.427 -11.461 1.00 0.00 H new ATOM 0 HA LEU C 36 97.158 11.644 -13.315 1.00 0.00 H new ATOM 0 HB2 LEU C 36 97.951 10.383 -11.355 1.00 0.00 H new ATOM 0 HB3 LEU C 36 97.173 8.919 -11.924 1.00 0.00 H new ATOM 0 HG LEU C 36 98.668 8.808 -13.875 1.00 0.00 H new ATOM 0 HD11 LEU C 36 100.478 10.465 -14.189 1.00 0.00 H new ATOM 0 HD12 LEU C 36 98.877 11.237 -14.288 1.00 0.00 H new ATOM 0 HD13 LEU C 36 99.857 11.407 -12.813 1.00 0.00 H new ATOM 0 HD21 LEU C 36 100.832 8.509 -12.671 1.00 0.00 H new ATOM 0 HD22 LEU C 36 100.191 9.439 -11.296 1.00 0.00 H new ATOM 0 HD23 LEU C 36 99.477 7.864 -11.715 1.00 0.00 H new ATOM 1146 N HIS C 37 95.704 8.909 -14.431 1.00 0.00 N ATOM 1147 CA HIS C 37 95.444 8.166 -15.665 1.00 0.00 C ATOM 1148 C HIS C 37 94.830 9.055 -16.746 1.00 0.00 C ATOM 1149 O HIS C 37 95.032 8.814 -17.936 1.00 0.00 O ATOM 1150 CB HIS C 37 94.537 6.957 -15.392 1.00 0.00 C ATOM 1151 CG HIS C 37 93.118 7.393 -15.121 1.00 0.00 C ATOM 1152 ND1 HIS C 37 92.434 8.276 -15.944 1.00 0.00 N ATOM 1153 CD2 HIS C 37 92.234 7.051 -14.128 1.00 0.00 C ATOM 1154 CE1 HIS C 37 91.199 8.432 -15.435 1.00 0.00 C ATOM 1155 NE2 HIS C 37 91.024 7.708 -14.327 1.00 0.00 N ATOM 0 H HIS C 37 95.256 8.530 -13.597 1.00 0.00 H new ATOM 0 HA HIS C 37 96.405 7.810 -16.035 1.00 0.00 H new ATOM 0 HB2 HIS C 37 94.556 6.283 -16.248 1.00 0.00 H new ATOM 0 HB3 HIS C 37 94.918 6.398 -14.538 1.00 0.00 H new ATOM 0 HD2 HIS C 37 92.446 6.373 -13.314 1.00 0.00 H new ATOM 0 HE1 HIS C 37 90.441 9.066 -15.870 1.00 0.00 H new ATOM 0 HE2 HIS C 37 90.184 7.649 -13.751 1.00 0.00 H new ATOM 1164 N PHE C 38 94.090 10.053 -16.347 1.00 0.00 N ATOM 1165 CA PHE C 38 93.455 10.946 -17.313 1.00 0.00 C ATOM 1166 C PHE C 38 94.497 11.676 -18.153 1.00 0.00 C ATOM 1167 O PHE C 38 94.352 11.793 -19.370 1.00 0.00 O ATOM 1168 CB PHE C 38 92.581 11.967 -16.584 1.00 0.00 C ATOM 1169 CG PHE C 38 91.778 12.754 -17.593 1.00 0.00 C ATOM 1170 CD1 PHE C 38 90.620 12.197 -18.150 1.00 0.00 C ATOM 1171 CD2 PHE C 38 92.190 14.036 -17.974 1.00 0.00 C ATOM 1172 CE1 PHE C 38 89.875 12.923 -19.087 1.00 0.00 C ATOM 1173 CE2 PHE C 38 91.445 14.762 -18.910 1.00 0.00 C ATOM 1174 CZ PHE C 38 90.287 14.206 -19.467 1.00 0.00 C ATOM 0 H PHE C 38 93.905 10.278 -15.370 1.00 0.00 H new ATOM 0 HA PHE C 38 92.837 10.341 -17.977 1.00 0.00 H new ATOM 0 HB2 PHE C 38 91.913 11.459 -15.888 1.00 0.00 H new ATOM 0 HB3 PHE C 38 93.204 12.640 -15.994 1.00 0.00 H new ATOM 0 HD1 PHE C 38 90.302 11.208 -17.857 1.00 0.00 H new ATOM 0 HD2 PHE C 38 93.084 14.465 -17.545 1.00 0.00 H new ATOM 0 HE1 PHE C 38 88.982 12.493 -19.517 1.00 0.00 H new ATOM 0 HE2 PHE C 38 91.763 15.752 -19.203 1.00 0.00 H new ATOM 0 HZ PHE C 38 89.712 14.766 -20.189 1.00 0.00 H new ATOM 1184 N ILE C 39 95.522 12.165 -17.512 1.00 0.00 N ATOM 1185 CA ILE C 39 96.568 12.892 -18.220 1.00 0.00 C ATOM 1186 C ILE C 39 97.150 12.041 -19.346 1.00 0.00 C ATOM 1187 O ILE C 39 97.334 12.523 -20.463 1.00 0.00 O ATOM 1188 CB ILE C 39 97.679 13.289 -17.242 1.00 0.00 C ATOM 1189 CG1 ILE C 39 97.123 14.288 -16.225 1.00 0.00 C ATOM 1190 CG2 ILE C 39 98.834 13.936 -18.010 1.00 0.00 C ATOM 1191 CD1 ILE C 39 98.131 14.478 -15.091 1.00 0.00 C ATOM 0 H ILE C 39 95.666 12.080 -16.506 1.00 0.00 H new ATOM 0 HA ILE C 39 96.130 13.790 -18.655 1.00 0.00 H new ATOM 0 HB ILE C 39 98.042 12.401 -16.725 1.00 0.00 H new ATOM 0 HG12 ILE C 39 96.922 15.243 -16.710 1.00 0.00 H new ATOM 0 HG13 ILE C 39 96.175 13.927 -15.826 1.00 0.00 H new ATOM 0 HG21 ILE C 39 99.623 14.217 -17.312 1.00 0.00 H new ATOM 0 HG22 ILE C 39 99.229 13.227 -18.738 1.00 0.00 H new ATOM 0 HG23 ILE C 39 98.474 14.825 -18.528 1.00 0.00 H new ATOM 0 HD11 ILE C 39 97.734 15.190 -14.367 1.00 0.00 H new ATOM 0 HD12 ILE C 39 98.310 13.522 -14.599 1.00 0.00 H new ATOM 0 HD13 ILE C 39 99.068 14.858 -15.497 1.00 0.00 H new ATOM 1203 N ALA C 40 97.434 10.801 -19.056 1.00 0.00 N ATOM 1204 CA ALA C 40 97.994 9.903 -20.059 1.00 0.00 C ATOM 1205 C ALA C 40 96.952 9.559 -21.120 1.00 0.00 C ATOM 1206 O ALA C 40 97.280 9.357 -22.289 1.00 0.00 O ATOM 1207 CB ALA C 40 98.488 8.618 -19.392 1.00 0.00 C ATOM 0 H ALA C 40 97.291 10.379 -18.138 1.00 0.00 H new ATOM 0 HA ALA C 40 98.831 10.409 -20.541 1.00 0.00 H new ATOM 0 HB1 ALA C 40 98.905 7.953 -20.148 1.00 0.00 H new ATOM 0 HB2 ALA C 40 99.257 8.861 -18.659 1.00 0.00 H new ATOM 0 HB3 ALA C 40 97.655 8.123 -18.893 1.00 0.00 H new ATOM 1213 N TRP C 41 95.720 9.476 -20.700 1.00 0.00 N ATOM 1214 CA TRP C 41 94.625 9.132 -21.603 1.00 0.00 C ATOM 1215 C TRP C 41 94.667 9.983 -22.870 1.00 0.00 C ATOM 1216 O TRP C 41 94.319 9.516 -23.954 1.00 0.00 O ATOM 1217 CB TRP C 41 93.289 9.353 -20.883 1.00 0.00 C ATOM 1218 CG TRP C 41 92.196 8.606 -21.581 1.00 0.00 C ATOM 1219 CD1 TRP C 41 91.705 8.896 -22.809 1.00 0.00 C ATOM 1220 CD2 TRP C 41 91.448 7.452 -21.105 1.00 0.00 C ATOM 1221 NE1 TRP C 41 90.705 7.989 -23.117 1.00 0.00 N ATOM 1222 CE2 TRP C 41 90.511 7.079 -22.096 1.00 0.00 C ATOM 1223 CE3 TRP C 41 91.493 6.701 -19.918 1.00 0.00 C ATOM 1224 CZ2 TRP C 41 89.650 5.998 -21.916 1.00 0.00 C ATOM 1225 CZ3 TRP C 41 90.628 5.613 -19.733 1.00 0.00 C ATOM 1226 CH2 TRP C 41 89.709 5.262 -20.730 1.00 0.00 C ATOM 0 H TRP C 41 95.435 9.641 -19.735 1.00 0.00 H new ATOM 0 HA TRP C 41 94.730 8.086 -21.891 1.00 0.00 H new ATOM 0 HB2 TRP C 41 93.365 9.018 -19.849 1.00 0.00 H new ATOM 0 HB3 TRP C 41 93.053 10.417 -20.857 1.00 0.00 H new ATOM 0 HD1 TRP C 41 92.039 9.703 -23.445 1.00 0.00 H new ATOM 0 HE1 TRP C 41 90.177 7.992 -23.990 1.00 0.00 H new ATOM 0 HE3 TRP C 41 92.198 6.964 -19.143 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 88.943 5.731 -22.687 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 90.671 5.043 -18.817 1.00 0.00 H new ATOM 0 HH2 TRP C 41 89.046 4.422 -20.582 1.00 0.00 H new ATOM 1237 N THR C 42 95.080 11.210 -22.730 1.00 0.00 N ATOM 1238 CA THR C 42 95.148 12.115 -23.873 1.00 0.00 C ATOM 1239 C THR C 42 96.036 11.547 -24.982 1.00 0.00 C ATOM 1240 O THR C 42 95.670 11.589 -26.155 1.00 0.00 O ATOM 1241 CB THR C 42 95.682 13.482 -23.432 1.00 0.00 C ATOM 1242 OG1 THR C 42 96.841 13.304 -22.633 1.00 0.00 O ATOM 1243 CG2 THR C 42 94.611 14.214 -22.620 1.00 0.00 C ATOM 0 H THR C 42 95.377 11.619 -21.844 1.00 0.00 H new ATOM 0 HA THR C 42 94.139 12.229 -24.269 1.00 0.00 H new ATOM 0 HB THR C 42 95.935 14.072 -24.313 1.00 0.00 H new ATOM 0 HG1 THR C 42 96.575 13.125 -21.707 1.00 0.00 H new ATOM 0 HG21 THR C 42 94.993 15.186 -22.307 1.00 0.00 H new ATOM 0 HG22 THR C 42 93.721 14.354 -23.234 1.00 0.00 H new ATOM 0 HG23 THR C 42 94.355 13.624 -21.740 1.00 0.00 H new ATOM 1251 N ILE C 43 97.184 11.030 -24.622 1.00 0.00 N ATOM 1252 CA ILE C 43 98.092 10.472 -25.624 1.00 0.00 C ATOM 1253 C ILE C 43 97.482 9.227 -26.269 1.00 0.00 C ATOM 1254 O ILE C 43 97.429 9.116 -27.493 1.00 0.00 O ATOM 1255 CB ILE C 43 99.452 10.113 -24.988 1.00 0.00 C ATOM 1256 CG1 ILE C 43 100.204 11.398 -24.555 1.00 0.00 C ATOM 1257 CG2 ILE C 43 100.304 9.348 -26.013 1.00 0.00 C ATOM 1258 CD1 ILE C 43 99.805 11.793 -23.131 1.00 0.00 C ATOM 0 H ILE C 43 97.519 10.978 -23.660 1.00 0.00 H new ATOM 0 HA ILE C 43 98.250 11.229 -26.392 1.00 0.00 H new ATOM 0 HB ILE C 43 99.278 9.493 -24.108 1.00 0.00 H new ATOM 0 HG12 ILE C 43 101.280 11.232 -24.606 1.00 0.00 H new ATOM 0 HG13 ILE C 43 99.974 12.211 -25.243 1.00 0.00 H new ATOM 0 HG21 ILE C 43 101.266 9.092 -25.568 1.00 0.00 H new ATOM 0 HG22 ILE C 43 99.786 8.435 -26.308 1.00 0.00 H new ATOM 0 HG23 ILE C 43 100.465 9.973 -26.891 1.00 0.00 H new ATOM 0 HD11 ILE C 43 100.341 12.697 -22.840 1.00 0.00 H new ATOM 0 HD12 ILE C 43 98.732 11.979 -23.092 1.00 0.00 H new ATOM 0 HD13 ILE C 43 100.058 10.985 -22.445 1.00 0.00 H new ATOM 1270 N GLY C 44 97.039 8.309 -25.457 1.00 0.00 N ATOM 1271 CA GLY C 44 96.449 7.074 -25.962 1.00 0.00 C ATOM 1272 C GLY C 44 95.373 7.354 -27.007 1.00 0.00 C ATOM 1273 O GLY C 44 95.135 6.538 -27.898 1.00 0.00 O ATOM 0 H GLY C 44 97.069 8.381 -24.440 1.00 0.00 H new ATOM 0 HA2 GLY C 44 97.228 6.450 -26.399 1.00 0.00 H new ATOM 0 HA3 GLY C 44 96.016 6.511 -25.135 1.00 0.00 H new ATOM 1277 N HIS C 45 94.727 8.477 -26.885 1.00 0.00 N ATOM 1278 CA HIS C 45 93.662 8.848 -27.810 1.00 0.00 C ATOM 1279 C HIS C 45 94.158 8.934 -29.255 1.00 0.00 C ATOM 1280 O HIS C 45 93.387 8.748 -30.187 1.00 0.00 O ATOM 1281 CB HIS C 45 93.064 10.196 -27.401 1.00 0.00 C ATOM 1282 CG HIS C 45 91.775 10.420 -28.143 1.00 0.00 C ATOM 1283 ND1 HIS C 45 91.710 11.172 -29.305 1.00 0.00 N ATOM 1284 CD2 HIS C 45 90.493 9.991 -27.901 1.00 0.00 C ATOM 1285 CE1 HIS C 45 90.429 11.173 -29.716 1.00 0.00 C ATOM 1286 NE2 HIS C 45 89.644 10.469 -28.895 1.00 0.00 N ATOM 0 H HIS C 45 94.910 9.164 -26.154 1.00 0.00 H new ATOM 0 HA HIS C 45 92.903 8.067 -27.761 1.00 0.00 H new ATOM 0 HB2 HIS C 45 92.885 10.215 -26.326 1.00 0.00 H new ATOM 0 HB3 HIS C 45 93.767 10.999 -27.621 1.00 0.00 H new ATOM 0 HD2 HIS C 45 90.190 9.376 -27.066 1.00 0.00 H new ATOM 0 HE1 HIS C 45 90.078 11.681 -30.602 1.00 0.00 H new ATOM 0 HE2 HIS C 45 88.639 10.315 -28.979 1.00 0.00 H new ATOM 1295 N LEU C 46 95.406 9.254 -29.435 1.00 0.00 N ATOM 1296 CA LEU C 46 95.957 9.415 -30.777 1.00 0.00 C ATOM 1297 C LEU C 46 95.552 8.273 -31.716 1.00 0.00 C ATOM 1298 O LEU C 46 95.499 8.462 -32.929 1.00 0.00 O ATOM 1299 CB LEU C 46 97.497 9.547 -30.700 1.00 0.00 C ATOM 1300 CG LEU C 46 98.186 8.154 -30.698 1.00 0.00 C ATOM 1301 CD1 LEU C 46 98.553 7.723 -32.137 1.00 0.00 C ATOM 1302 CD2 LEU C 46 99.468 8.210 -29.853 1.00 0.00 C ATOM 0 H LEU C 46 96.073 9.412 -28.679 1.00 0.00 H new ATOM 0 HA LEU C 46 95.538 10.328 -31.200 1.00 0.00 H new ATOM 0 HB2 LEU C 46 97.856 10.131 -31.547 1.00 0.00 H new ATOM 0 HB3 LEU C 46 97.772 10.092 -29.797 1.00 0.00 H new ATOM 0 HG LEU C 46 97.490 7.430 -30.275 1.00 0.00 H new ATOM 0 HD11 LEU C 46 99.034 6.745 -32.112 1.00 0.00 H new ATOM 0 HD12 LEU C 46 97.648 7.667 -32.742 1.00 0.00 H new ATOM 0 HD13 LEU C 46 99.236 8.453 -32.572 1.00 0.00 H new ATOM 0 HD21 LEU C 46 99.948 7.231 -29.854 1.00 0.00 H new ATOM 0 HD22 LEU C 46 100.150 8.949 -30.275 1.00 0.00 H new ATOM 0 HD23 LEU C 46 99.217 8.490 -28.830 1.00 0.00 H new ATOM 1427 N ASP D 24 87.924 -2.898 8.493 1.00 0.00 N ATOM 1428 CA ASP D 24 88.548 -3.840 7.570 1.00 0.00 C ATOM 1429 C ASP D 24 89.249 -3.081 6.435 1.00 0.00 C ATOM 1430 O ASP D 24 88.797 -2.007 6.042 1.00 0.00 O ATOM 1431 CB ASP D 24 87.482 -4.769 6.984 1.00 0.00 C ATOM 1432 CG ASP D 24 86.778 -5.526 8.105 1.00 0.00 C ATOM 1433 OD1 ASP D 24 87.388 -6.425 8.660 1.00 0.00 O ATOM 1434 OD2 ASP D 24 85.640 -5.194 8.394 1.00 0.00 O ATOM 0 HA ASP D 24 89.287 -4.430 8.112 1.00 0.00 H new ATOM 0 HB2 ASP D 24 86.756 -4.189 6.414 1.00 0.00 H new ATOM 0 HB3 ASP D 24 87.942 -5.473 6.291 1.00 0.00 H new ATOM 1439 N PRO D 25 90.330 -3.606 5.900 1.00 0.00 N ATOM 1440 CA PRO D 25 91.072 -2.936 4.788 1.00 0.00 C ATOM 1441 C PRO D 25 90.329 -3.053 3.455 1.00 0.00 C ATOM 1442 O PRO D 25 90.936 -3.288 2.410 1.00 0.00 O ATOM 1443 CB PRO D 25 92.408 -3.688 4.755 1.00 0.00 C ATOM 1444 CG PRO D 25 92.076 -5.062 5.236 1.00 0.00 C ATOM 1445 CD PRO D 25 90.971 -4.883 6.281 1.00 0.00 C ATOM 0 HA PRO D 25 91.189 -1.864 4.945 1.00 0.00 H new ATOM 0 HB2 PRO D 25 92.826 -3.710 3.749 1.00 0.00 H new ATOM 0 HB3 PRO D 25 93.148 -3.211 5.397 1.00 0.00 H new ATOM 0 HG2 PRO D 25 91.738 -5.693 4.414 1.00 0.00 H new ATOM 0 HG3 PRO D 25 92.951 -5.546 5.671 1.00 0.00 H new ATOM 0 HD2 PRO D 25 90.261 -5.710 6.258 1.00 0.00 H new ATOM 0 HD3 PRO D 25 91.378 -4.841 7.291 1.00 0.00 H new ATOM 1453 N LEU D 26 89.034 -2.894 3.502 1.00 0.00 N ATOM 1454 CA LEU D 26 88.216 -2.987 2.296 1.00 0.00 C ATOM 1455 C LEU D 26 88.579 -1.876 1.313 1.00 0.00 C ATOM 1456 O LEU D 26 88.793 -2.129 0.127 1.00 0.00 O ATOM 1457 CB LEU D 26 86.731 -2.886 2.673 1.00 0.00 C ATOM 1458 CG LEU D 26 85.844 -3.005 1.423 1.00 0.00 C ATOM 1459 CD1 LEU D 26 86.062 -4.368 0.742 1.00 0.00 C ATOM 1460 CD2 LEU D 26 84.375 -2.867 1.844 1.00 0.00 C ATOM 0 H LEU D 26 88.511 -2.699 4.356 1.00 0.00 H new ATOM 0 HA LEU D 26 88.406 -3.947 1.817 1.00 0.00 H new ATOM 0 HB2 LEU D 26 86.476 -3.674 3.382 1.00 0.00 H new ATOM 0 HB3 LEU D 26 86.541 -1.935 3.171 1.00 0.00 H new ATOM 0 HG LEU D 26 86.106 -2.218 0.716 1.00 0.00 H new ATOM 0 HD11 LEU D 26 85.428 -4.439 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU D 26 87.107 -4.465 0.447 1.00 0.00 H new ATOM 0 HD13 LEU D 26 85.806 -5.167 1.437 1.00 0.00 H new ATOM 0 HD21 LEU D 26 83.735 -2.950 0.965 1.00 0.00 H new ATOM 0 HD22 LEU D 26 84.124 -3.657 2.552 1.00 0.00 H new ATOM 0 HD23 LEU D 26 84.221 -1.896 2.315 1.00 0.00 H new ATOM 1472 N VAL D 27 88.639 -0.670 1.804 1.00 0.00 N ATOM 1473 CA VAL D 27 88.967 0.478 0.965 1.00 0.00 C ATOM 1474 C VAL D 27 90.434 0.448 0.540 1.00 0.00 C ATOM 1475 O VAL D 27 90.780 0.870 -0.562 1.00 0.00 O ATOM 1476 CB VAL D 27 88.686 1.773 1.727 1.00 0.00 C ATOM 1477 CG1 VAL D 27 88.958 2.971 0.817 1.00 0.00 C ATOM 1478 CG2 VAL D 27 87.223 1.793 2.173 1.00 0.00 C ATOM 0 H VAL D 27 88.466 -0.443 2.783 1.00 0.00 H new ATOM 0 HA VAL D 27 88.346 0.432 0.070 1.00 0.00 H new ATOM 0 HB VAL D 27 89.334 1.828 2.601 1.00 0.00 H new ATOM 0 HG11 VAL D 27 88.757 3.894 1.361 1.00 0.00 H new ATOM 0 HG12 VAL D 27 90.000 2.957 0.498 1.00 0.00 H new ATOM 0 HG13 VAL D 27 88.310 2.918 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL D 27 87.021 2.716 2.717 1.00 0.00 H new ATOM 0 HG22 VAL D 27 86.575 1.738 1.298 1.00 0.00 H new ATOM 0 HG23 VAL D 27 87.029 0.939 2.823 1.00 0.00 H new ATOM 1488 N VAL D 28 91.273 -0.042 1.410 1.00 0.00 N ATOM 1489 CA VAL D 28 92.702 -0.119 1.119 1.00 0.00 C ATOM 1490 C VAL D 28 92.976 -1.174 0.050 1.00 0.00 C ATOM 1491 O VAL D 28 93.756 -0.948 -0.875 1.00 0.00 O ATOM 1492 CB VAL D 28 93.476 -0.462 2.392 1.00 0.00 C ATOM 1493 CG1 VAL D 28 94.972 -0.529 2.080 1.00 0.00 C ATOM 1494 CG2 VAL D 28 93.225 0.618 3.447 1.00 0.00 C ATOM 0 H VAL D 28 91.006 -0.397 2.328 1.00 0.00 H new ATOM 0 HA VAL D 28 93.031 0.851 0.746 1.00 0.00 H new ATOM 0 HB VAL D 28 93.141 -1.428 2.770 1.00 0.00 H new ATOM 0 HG11 VAL D 28 95.523 -0.774 2.988 1.00 0.00 H new ATOM 0 HG12 VAL D 28 95.153 -1.297 1.328 1.00 0.00 H new ATOM 0 HG13 VAL D 28 95.308 0.436 1.701 1.00 0.00 H new ATOM 0 HG21 VAL D 28 93.776 0.375 4.355 1.00 0.00 H new ATOM 0 HG22 VAL D 28 93.560 1.583 3.067 1.00 0.00 H new ATOM 0 HG23 VAL D 28 92.159 0.667 3.671 1.00 0.00 H new ATOM 1504 N ALA D 29 92.345 -2.307 0.187 1.00 0.00 N ATOM 1505 CA ALA D 29 92.530 -3.397 -0.766 1.00 0.00 C ATOM 1506 C ALA D 29 92.372 -2.894 -2.200 1.00 0.00 C ATOM 1507 O ALA D 29 93.050 -3.366 -3.111 1.00 0.00 O ATOM 1508 CB ALA D 29 91.512 -4.505 -0.496 1.00 0.00 C ATOM 0 H ALA D 29 91.695 -2.512 0.946 1.00 0.00 H new ATOM 0 HA ALA D 29 93.538 -3.792 -0.643 1.00 0.00 H new ATOM 0 HB1 ALA D 29 91.657 -5.314 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA D 29 91.649 -4.886 0.516 1.00 0.00 H new ATOM 0 HB3 ALA D 29 90.503 -4.105 -0.600 1.00 0.00 H new ATOM 1514 N ALA D 30 91.487 -1.955 -2.386 1.00 0.00 N ATOM 1515 CA ALA D 30 91.244 -1.395 -3.713 1.00 0.00 C ATOM 1516 C ALA D 30 92.484 -0.673 -4.236 1.00 0.00 C ATOM 1517 O ALA D 30 92.708 -0.600 -5.444 1.00 0.00 O ATOM 1518 CB ALA D 30 90.068 -0.417 -3.659 1.00 0.00 C ATOM 0 H ALA D 30 90.915 -1.552 -1.644 1.00 0.00 H new ATOM 0 HA ALA D 30 91.008 -2.216 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA D 30 89.893 -0.003 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA D 30 89.174 -0.941 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA D 30 90.299 0.391 -2.965 1.00 0.00 H new ATOM 1524 N SER D 31 93.266 -0.141 -3.336 1.00 0.00 N ATOM 1525 CA SER D 31 94.474 0.586 -3.716 1.00 0.00 C ATOM 1526 C SER D 31 95.386 -0.281 -4.584 1.00 0.00 C ATOM 1527 O SER D 31 95.960 0.194 -5.563 1.00 0.00 O ATOM 1528 CB SER D 31 95.234 1.026 -2.464 1.00 0.00 C ATOM 1529 OG SER D 31 96.359 1.805 -2.849 1.00 0.00 O ATOM 0 H SER D 31 93.099 -0.191 -2.331 1.00 0.00 H new ATOM 0 HA SER D 31 94.174 1.462 -4.292 1.00 0.00 H new ATOM 0 HB2 SER D 31 94.581 1.606 -1.813 1.00 0.00 H new ATOM 0 HB3 SER D 31 95.558 0.154 -1.896 1.00 0.00 H new ATOM 0 HG SER D 31 96.848 2.091 -2.049 1.00 0.00 H new ATOM 1535 N ILE D 32 95.513 -1.529 -4.223 1.00 0.00 N ATOM 1536 CA ILE D 32 96.361 -2.450 -4.973 1.00 0.00 C ATOM 1537 C ILE D 32 95.956 -2.470 -6.449 1.00 0.00 C ATOM 1538 O ILE D 32 96.803 -2.597 -7.333 1.00 0.00 O ATOM 1539 CB ILE D 32 96.254 -3.863 -4.376 1.00 0.00 C ATOM 1540 CG1 ILE D 32 96.976 -3.906 -3.020 1.00 0.00 C ATOM 1541 CG2 ILE D 32 96.907 -4.884 -5.317 1.00 0.00 C ATOM 1542 CD1 ILE D 32 96.249 -3.021 -1.998 1.00 0.00 C ATOM 0 H ILE D 32 95.045 -1.943 -3.416 1.00 0.00 H new ATOM 0 HA ILE D 32 97.394 -2.110 -4.903 1.00 0.00 H new ATOM 0 HB ILE D 32 95.200 -4.109 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE D 32 97.019 -4.933 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE D 32 98.005 -3.566 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE D 32 96.826 -5.881 -4.885 1.00 0.00 H new ATOM 0 HG22 ILE D 32 96.401 -4.865 -6.282 1.00 0.00 H new ATOM 0 HG23 ILE D 32 97.959 -4.632 -5.453 1.00 0.00 H new ATOM 0 HD11 ILE D 32 96.773 -3.062 -1.043 1.00 0.00 H new ATOM 0 HD12 ILE D 32 96.229 -1.992 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE D 32 95.228 -3.379 -1.868 1.00 0.00 H new ATOM 1554 N ILE D 33 94.683 -2.348 -6.699 1.00 0.00 N ATOM 1555 CA ILE D 33 94.180 -2.352 -8.070 1.00 0.00 C ATOM 1556 C ILE D 33 94.578 -1.059 -8.787 1.00 0.00 C ATOM 1557 O ILE D 33 94.757 -1.046 -10.004 1.00 0.00 O ATOM 1558 CB ILE D 33 92.646 -2.520 -8.072 1.00 0.00 C ATOM 1559 CG1 ILE D 33 92.274 -3.803 -7.295 1.00 0.00 C ATOM 1560 CG2 ILE D 33 92.132 -2.622 -9.522 1.00 0.00 C ATOM 1561 CD1 ILE D 33 90.833 -4.231 -7.606 1.00 0.00 C ATOM 0 H ILE D 33 93.965 -2.244 -5.982 1.00 0.00 H new ATOM 0 HA ILE D 33 94.624 -3.192 -8.604 1.00 0.00 H new ATOM 0 HB ILE D 33 92.185 -1.656 -7.593 1.00 0.00 H new ATOM 0 HG12 ILE D 33 92.962 -4.606 -7.560 1.00 0.00 H new ATOM 0 HG13 ILE D 33 92.384 -3.630 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE D 33 91.048 -2.740 -9.516 1.00 0.00 H new ATOM 0 HG22 ILE D 33 92.395 -1.715 -10.066 1.00 0.00 H new ATOM 0 HG23 ILE D 33 92.589 -3.483 -10.010 1.00 0.00 H new ATOM 0 HD11 ILE D 33 90.594 -5.136 -7.048 1.00 0.00 H new ATOM 0 HD12 ILE D 33 90.147 -3.435 -7.318 1.00 0.00 H new ATOM 0 HD13 ILE D 33 90.734 -4.426 -8.674 1.00 0.00 H new ATOM 1573 N GLY D 34 94.703 0.006 -8.041 1.00 0.00 N ATOM 1574 CA GLY D 34 95.066 1.298 -8.619 1.00 0.00 C ATOM 1575 C GLY D 34 96.476 1.288 -9.207 1.00 0.00 C ATOM 1576 O GLY D 34 96.696 1.771 -10.317 1.00 0.00 O ATOM 0 H GLY D 34 94.562 0.017 -7.031 1.00 0.00 H new ATOM 0 HA2 GLY D 34 94.350 1.560 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY D 34 94.999 2.070 -7.852 1.00 0.00 H new ATOM 1580 N ILE D 35 97.413 0.753 -8.472 1.00 0.00 N ATOM 1581 CA ILE D 35 98.797 0.701 -8.937 1.00 0.00 C ATOM 1582 C ILE D 35 98.928 -0.226 -10.144 1.00 0.00 C ATOM 1583 O ILE D 35 99.793 -0.031 -10.998 1.00 0.00 O ATOM 1584 CB ILE D 35 99.711 0.213 -7.812 1.00 0.00 C ATOM 1585 CG1 ILE D 35 99.141 -1.077 -7.216 1.00 0.00 C ATOM 1586 CG2 ILE D 35 99.794 1.281 -6.721 1.00 0.00 C ATOM 1587 CD1 ILE D 35 100.161 -1.692 -6.257 1.00 0.00 C ATOM 0 H ILE D 35 97.257 0.345 -7.550 1.00 0.00 H new ATOM 0 HA ILE D 35 99.095 1.706 -9.235 1.00 0.00 H new ATOM 0 HB ILE D 35 100.707 0.023 -8.212 1.00 0.00 H new ATOM 0 HG12 ILE D 35 98.211 -0.866 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE D 35 98.903 -1.783 -8.011 1.00 0.00 H new ATOM 0 HG21 ILE D 35 100.445 0.933 -5.920 1.00 0.00 H new ATOM 0 HG22 ILE D 35 100.198 2.201 -7.143 1.00 0.00 H new ATOM 0 HG23 ILE D 35 98.798 1.471 -6.322 1.00 0.00 H new ATOM 0 HD11 ILE D 35 99.754 -2.610 -5.833 1.00 0.00 H new ATOM 0 HD12 ILE D 35 101.079 -1.918 -6.799 1.00 0.00 H new ATOM 0 HD13 ILE D 35 100.377 -0.987 -5.455 1.00 0.00 H new ATOM 1599 N LEU D 36 98.084 -1.218 -10.201 1.00 0.00 N ATOM 1600 CA LEU D 36 98.119 -2.174 -11.303 1.00 0.00 C ATOM 1601 C LEU D 36 97.985 -1.456 -12.646 1.00 0.00 C ATOM 1602 O LEU D 36 98.667 -1.792 -13.611 1.00 0.00 O ATOM 1603 CB LEU D 36 96.984 -3.197 -11.145 1.00 0.00 C ATOM 1604 CG LEU D 36 97.278 -4.458 -11.989 1.00 0.00 C ATOM 1605 CD1 LEU D 36 98.139 -5.445 -11.187 1.00 0.00 C ATOM 1606 CD2 LEU D 36 95.960 -5.143 -12.370 1.00 0.00 C ATOM 0 H LEU D 36 97.360 -1.396 -9.505 1.00 0.00 H new ATOM 0 HA LEU D 36 99.078 -2.691 -11.280 1.00 0.00 H new ATOM 0 HB2 LEU D 36 96.875 -3.471 -10.096 1.00 0.00 H new ATOM 0 HB3 LEU D 36 96.039 -2.753 -11.458 1.00 0.00 H new ATOM 0 HG LEU D 36 97.815 -4.158 -12.889 1.00 0.00 H new ATOM 0 HD11 LEU D 36 98.339 -6.329 -11.793 1.00 0.00 H new ATOM 0 HD12 LEU D 36 99.082 -4.969 -10.917 1.00 0.00 H new ATOM 0 HD13 LEU D 36 97.608 -5.738 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU D 36 96.171 -6.032 -12.965 1.00 0.00 H new ATOM 0 HD22 LEU D 36 95.425 -5.431 -11.465 1.00 0.00 H new ATOM 0 HD23 LEU D 36 95.347 -4.454 -12.951 1.00 0.00 H new ATOM 1618 N HIS D 37 97.103 -0.501 -12.710 1.00 0.00 N ATOM 1619 CA HIS D 37 96.882 0.236 -13.951 1.00 0.00 C ATOM 1620 C HIS D 37 98.171 0.877 -14.468 1.00 0.00 C ATOM 1621 O HIS D 37 98.445 0.850 -15.668 1.00 0.00 O ATOM 1622 CB HIS D 37 95.843 1.336 -13.724 1.00 0.00 C ATOM 1623 CG HIS D 37 94.641 0.758 -13.032 1.00 0.00 C ATOM 1624 ND1 HIS D 37 93.675 1.559 -12.441 1.00 0.00 N ATOM 1625 CD2 HIS D 37 94.234 -0.535 -12.826 1.00 0.00 C ATOM 1626 CE1 HIS D 37 92.744 0.745 -11.912 1.00 0.00 C ATOM 1627 NE2 HIS D 37 93.037 -0.542 -12.119 1.00 0.00 N ATOM 0 H HIS D 37 96.519 -0.204 -11.928 1.00 0.00 H new ATOM 0 HA HIS D 37 96.527 -0.477 -14.695 1.00 0.00 H new ATOM 0 HB2 HIS D 37 96.272 2.137 -13.122 1.00 0.00 H new ATOM 0 HB3 HIS D 37 95.550 1.776 -14.677 1.00 0.00 H new ATOM 0 HD1 HIS D 37 93.671 2.579 -12.413 1.00 0.00 H new ATOM 0 HD2 HIS D 37 94.763 -1.415 -13.162 1.00 0.00 H new ATOM 0 HE1 HIS D 37 91.867 1.090 -11.384 1.00 0.00 H new ATOM 1636 N PHE D 38 98.927 1.468 -13.585 1.00 0.00 N ATOM 1637 CA PHE D 38 100.164 2.149 -13.969 1.00 0.00 C ATOM 1638 C PHE D 38 101.170 1.220 -14.646 1.00 0.00 C ATOM 1639 O PHE D 38 101.748 1.577 -15.672 1.00 0.00 O ATOM 1640 CB PHE D 38 100.809 2.772 -12.730 1.00 0.00 C ATOM 1641 CG PHE D 38 102.034 3.557 -13.136 1.00 0.00 C ATOM 1642 CD1 PHE D 38 101.917 4.910 -13.478 1.00 0.00 C ATOM 1643 CD2 PHE D 38 103.286 2.932 -13.171 1.00 0.00 C ATOM 1644 CE1 PHE D 38 103.052 5.638 -13.852 1.00 0.00 C ATOM 1645 CE2 PHE D 38 104.421 3.661 -13.545 1.00 0.00 C ATOM 1646 CZ PHE D 38 104.305 5.014 -13.886 1.00 0.00 C ATOM 0 H PHE D 38 98.720 1.500 -12.587 1.00 0.00 H new ATOM 0 HA PHE D 38 99.893 2.917 -14.694 1.00 0.00 H new ATOM 0 HB2 PHE D 38 100.097 3.425 -12.227 1.00 0.00 H new ATOM 0 HB3 PHE D 38 101.083 1.992 -12.020 1.00 0.00 H new ATOM 0 HD1 PHE D 38 100.951 5.392 -13.453 1.00 0.00 H new ATOM 0 HD2 PHE D 38 103.376 1.888 -12.910 1.00 0.00 H new ATOM 0 HE1 PHE D 38 102.961 6.682 -14.115 1.00 0.00 H new ATOM 0 HE2 PHE D 38 105.387 3.179 -13.571 1.00 0.00 H new ATOM 0 HZ PHE D 38 105.181 5.576 -14.175 1.00 0.00 H new ATOM 1656 N ILE D 39 101.401 0.066 -14.082 1.00 0.00 N ATOM 1657 CA ILE D 39 102.373 -0.852 -14.668 1.00 0.00 C ATOM 1658 C ILE D 39 101.933 -1.324 -16.052 1.00 0.00 C ATOM 1659 O ILE D 39 102.745 -1.377 -16.974 1.00 0.00 O ATOM 1660 CB ILE D 39 102.617 -2.054 -13.747 1.00 0.00 C ATOM 1661 CG1 ILE D 39 101.285 -2.626 -13.270 1.00 0.00 C ATOM 1662 CG2 ILE D 39 103.439 -1.612 -12.532 1.00 0.00 C ATOM 1663 CD1 ILE D 39 101.539 -3.894 -12.453 1.00 0.00 C ATOM 0 H ILE D 39 100.945 -0.268 -13.233 1.00 0.00 H new ATOM 0 HA ILE D 39 103.309 -0.306 -14.781 1.00 0.00 H new ATOM 0 HB ILE D 39 103.161 -2.819 -14.301 1.00 0.00 H new ATOM 0 HG12 ILE D 39 100.757 -1.890 -12.664 1.00 0.00 H new ATOM 0 HG13 ILE D 39 100.647 -2.853 -14.124 1.00 0.00 H new ATOM 0 HG21 ILE D 39 103.611 -2.467 -11.879 1.00 0.00 H new ATOM 0 HG22 ILE D 39 104.396 -1.212 -12.866 1.00 0.00 H new ATOM 0 HG23 ILE D 39 102.895 -0.842 -11.985 1.00 0.00 H new ATOM 0 HD11 ILE D 39 100.588 -4.303 -12.112 1.00 0.00 H new ATOM 0 HD12 ILE D 39 102.049 -4.631 -13.074 1.00 0.00 H new ATOM 0 HD13 ILE D 39 102.161 -3.653 -11.591 1.00 0.00 H new ATOM 1675 N ALA D 40 100.681 -1.667 -16.203 1.00 0.00 N ATOM 1676 CA ALA D 40 100.190 -2.134 -17.496 1.00 0.00 C ATOM 1677 C ALA D 40 100.144 -0.991 -18.512 1.00 0.00 C ATOM 1678 O ALA D 40 100.463 -1.181 -19.686 1.00 0.00 O ATOM 1679 CB ALA D 40 98.795 -2.737 -17.330 1.00 0.00 C ATOM 0 H ALA D 40 99.980 -1.637 -15.462 1.00 0.00 H new ATOM 0 HA ALA D 40 100.876 -2.895 -17.870 1.00 0.00 H new ATOM 0 HB1 ALA D 40 98.431 -3.085 -18.297 1.00 0.00 H new ATOM 0 HB2 ALA D 40 98.842 -3.577 -16.637 1.00 0.00 H new ATOM 0 HB3 ALA D 40 98.116 -1.980 -16.938 1.00 0.00 H new ATOM 1685 N TRP D 41 99.747 0.171 -18.065 1.00 0.00 N ATOM 1686 CA TRP D 41 99.659 1.334 -18.947 1.00 0.00 C ATOM 1687 C TRP D 41 100.944 1.491 -19.754 1.00 0.00 C ATOM 1688 O TRP D 41 100.926 1.990 -20.879 1.00 0.00 O ATOM 1689 CB TRP D 41 99.419 2.599 -18.117 1.00 0.00 C ATOM 1690 CG TRP D 41 99.018 3.734 -19.010 1.00 0.00 C ATOM 1691 CD1 TRP D 41 99.839 4.375 -19.875 1.00 0.00 C ATOM 1692 CD2 TRP D 41 97.716 4.378 -19.131 1.00 0.00 C ATOM 1693 NE1 TRP D 41 99.121 5.364 -20.527 1.00 0.00 N ATOM 1694 CE2 TRP D 41 97.808 5.405 -20.101 1.00 0.00 C ATOM 1695 CE3 TRP D 41 96.474 4.172 -18.502 1.00 0.00 C ATOM 1696 CZ2 TRP D 41 96.710 6.197 -20.433 1.00 0.00 C ATOM 1697 CZ3 TRP D 41 95.367 4.970 -18.834 1.00 0.00 C ATOM 1698 CH2 TRP D 41 95.485 5.981 -19.798 1.00 0.00 C ATOM 0 H TRP D 41 99.477 0.350 -17.098 1.00 0.00 H new ATOM 0 HA TRP D 41 98.826 1.185 -19.635 1.00 0.00 H new ATOM 0 HB2 TRP D 41 98.640 2.415 -17.377 1.00 0.00 H new ATOM 0 HB3 TRP D 41 100.324 2.860 -17.568 1.00 0.00 H new ATOM 0 HD1 TRP D 41 100.884 4.152 -20.031 1.00 0.00 H new ATOM 0 HE1 TRP D 41 99.514 5.985 -21.234 1.00 0.00 H new ATOM 0 HE3 TRP D 41 96.371 3.395 -17.759 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 96.806 6.974 -21.177 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 94.419 4.804 -18.344 1.00 0.00 H new ATOM 0 HH2 TRP D 41 94.630 6.592 -20.049 1.00 0.00 H new ATOM 1709 N THR D 42 102.033 1.055 -19.188 1.00 0.00 N ATOM 1710 CA THR D 42 103.320 1.146 -19.870 1.00 0.00 C ATOM 1711 C THR D 42 103.308 0.329 -21.161 1.00 0.00 C ATOM 1712 O THR D 42 103.980 0.681 -22.130 1.00 0.00 O ATOM 1713 CB THR D 42 104.442 0.639 -18.961 1.00 0.00 C ATOM 1714 OG1 THR D 42 104.232 -0.735 -18.672 1.00 0.00 O ATOM 1715 CG2 THR D 42 104.456 1.441 -17.657 1.00 0.00 C ATOM 0 H THR D 42 102.070 0.633 -18.260 1.00 0.00 H new ATOM 0 HA THR D 42 103.497 2.194 -20.114 1.00 0.00 H new ATOM 0 HB THR D 42 105.399 0.763 -19.468 1.00 0.00 H new ATOM 0 HG1 THR D 42 103.873 -0.827 -17.765 1.00 0.00 H new ATOM 0 HG21 THR D 42 105.257 1.076 -17.014 1.00 0.00 H new ATOM 0 HG22 THR D 42 104.622 2.495 -17.880 1.00 0.00 H new ATOM 0 HG23 THR D 42 103.499 1.324 -17.148 1.00 0.00 H new ATOM 1723 N ILE D 43 102.558 -0.742 -21.169 1.00 0.00 N ATOM 1724 CA ILE D 43 102.481 -1.593 -22.354 1.00 0.00 C ATOM 1725 C ILE D 43 101.788 -0.862 -23.501 1.00 0.00 C ATOM 1726 O ILE D 43 102.305 -0.811 -24.616 1.00 0.00 O ATOM 1727 CB ILE D 43 101.699 -2.870 -22.023 1.00 0.00 C ATOM 1728 CG1 ILE D 43 102.300 -3.548 -20.781 1.00 0.00 C ATOM 1729 CG2 ILE D 43 101.748 -3.834 -23.212 1.00 0.00 C ATOM 1730 CD1 ILE D 43 103.808 -3.763 -20.959 1.00 0.00 C ATOM 0 H ILE D 43 101.991 -1.054 -20.380 1.00 0.00 H new ATOM 0 HA ILE D 43 103.495 -1.848 -22.661 1.00 0.00 H new ATOM 0 HB ILE D 43 100.662 -2.606 -21.818 1.00 0.00 H new ATOM 0 HG12 ILE D 43 102.117 -2.933 -19.900 1.00 0.00 H new ATOM 0 HG13 ILE D 43 101.809 -4.506 -20.609 1.00 0.00 H new ATOM 0 HG21 ILE D 43 101.191 -4.739 -22.970 1.00 0.00 H new ATOM 0 HG22 ILE D 43 101.304 -3.357 -24.086 1.00 0.00 H new ATOM 0 HG23 ILE D 43 102.785 -4.093 -23.428 1.00 0.00 H new ATOM 0 HD11 ILE D 43 104.214 -4.244 -20.069 1.00 0.00 H new ATOM 0 HD12 ILE D 43 103.985 -4.397 -21.827 1.00 0.00 H new ATOM 0 HD13 ILE D 43 104.298 -2.801 -21.107 1.00 0.00 H new ATOM 1742 N GLY D 44 100.635 -0.318 -23.229 1.00 0.00 N ATOM 1743 CA GLY D 44 99.877 0.394 -24.253 1.00 0.00 C ATOM 1744 C GLY D 44 100.736 1.433 -24.965 1.00 0.00 C ATOM 1745 O GLY D 44 100.509 1.739 -26.135 1.00 0.00 O ATOM 0 H GLY D 44 100.189 -0.347 -22.312 1.00 0.00 H new ATOM 0 HA2 GLY D 44 99.489 -0.319 -24.981 1.00 0.00 H new ATOM 0 HA3 GLY D 44 99.017 0.883 -23.796 1.00 0.00 H new ATOM 1749 N HIS D 45 101.697 1.971 -24.266 1.00 0.00 N ATOM 1750 CA HIS D 45 102.573 2.985 -24.843 1.00 0.00 C ATOM 1751 C HIS D 45 103.304 2.451 -26.072 1.00 0.00 C ATOM 1752 O HIS D 45 103.651 3.212 -26.976 1.00 0.00 O ATOM 1753 CB HIS D 45 103.596 3.442 -23.801 1.00 0.00 C ATOM 1754 CG HIS D 45 104.261 4.708 -24.271 1.00 0.00 C ATOM 1755 ND1 HIS D 45 105.637 4.873 -24.249 1.00 0.00 N ATOM 1756 CD2 HIS D 45 103.751 5.877 -24.779 1.00 0.00 C ATOM 1757 CE1 HIS D 45 105.905 6.101 -24.730 1.00 0.00 C ATOM 1758 NE2 HIS D 45 104.791 6.755 -25.068 1.00 0.00 N ATOM 0 H HIS D 45 101.903 1.733 -23.296 1.00 0.00 H new ATOM 0 HA HIS D 45 101.955 3.829 -25.150 1.00 0.00 H new ATOM 0 HB2 HIS D 45 103.104 3.611 -22.843 1.00 0.00 H new ATOM 0 HB3 HIS D 45 104.343 2.664 -23.643 1.00 0.00 H new ATOM 0 HD2 HIS D 45 102.702 6.084 -24.931 1.00 0.00 H new ATOM 0 HE1 HIS D 45 106.900 6.508 -24.830 1.00 0.00 H new ATOM 0 HE2 HIS D 45 104.718 7.696 -25.455 1.00 0.00 H new ATOM 1767 N LEU D 46 103.551 1.170 -26.094 1.00 0.00 N ATOM 1768 CA LEU D 46 104.265 0.557 -27.211 1.00 0.00 C ATOM 1769 C LEU D 46 103.665 0.976 -28.554 1.00 0.00 C ATOM 1770 O LEU D 46 104.398 1.275 -29.497 1.00 0.00 O ATOM 1771 CB LEU D 46 104.254 -0.978 -27.064 1.00 0.00 C ATOM 1772 CG LEU D 46 102.870 -1.564 -27.457 1.00 0.00 C ATOM 1773 CD1 LEU D 46 102.758 -1.774 -28.996 1.00 0.00 C ATOM 1774 CD2 LEU D 46 102.650 -2.913 -26.739 1.00 0.00 C ATOM 0 H LEU D 46 103.274 0.520 -25.358 1.00 0.00 H new ATOM 0 HA LEU D 46 105.297 0.908 -27.190 1.00 0.00 H new ATOM 0 HB2 LEU D 46 105.030 -1.413 -27.694 1.00 0.00 H new ATOM 0 HB3 LEU D 46 104.490 -1.250 -26.035 1.00 0.00 H new ATOM 0 HG LEU D 46 102.105 -0.850 -27.151 1.00 0.00 H new ATOM 0 HD11 LEU D 46 101.778 -2.185 -29.237 1.00 0.00 H new ATOM 0 HD12 LEU D 46 102.885 -0.818 -29.504 1.00 0.00 H new ATOM 0 HD13 LEU D 46 103.533 -2.466 -29.326 1.00 0.00 H new ATOM 0 HD21 LEU D 46 101.678 -3.319 -27.018 1.00 0.00 H new ATOM 0 HD22 LEU D 46 103.433 -3.613 -27.031 1.00 0.00 H new ATOM 0 HD23 LEU D 46 102.683 -2.761 -25.660 1.00 0.00 H new