USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= 1.06 K(o=1.3,f=0.74) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.288 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.18 X(o=-0.1,f=0.00059) USER MOD Set 2.2: A 39 THR OG1 : rot -110:sc= 0.0784 USER MOD Set 3.1: A 16 SER OG : rot 150:sc= 0.103 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.0466 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot -162:sc= 0.0445 USER MOD Single : A 27 SER OG : rot -22:sc= 0.0905 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -151:sc= 0.673 USER MOD Single : A 34 TYR OH : rot -179:sc= 0.0448 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 37 ASN : amide:sc= -0.0335 X(o=-0.033,f=-0.44) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.008 USER MOD Single : A 70 LYS NZ :NH3+ -142:sc= 1.25 (180deg=0.864) USER MOD Single : A 75 LYS NZ :NH3+ -155:sc= 0.875 (180deg=0.521) USER MOD Single : A 76 THR OG1 : rot 77:sc= 0.00171 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 84 THR OG1 : rot 66:sc= 1.24 USER MOD Single : A 89 ASN : amide:sc= 0.228! K(o=0.23!,f=-0.91) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 0.861 K(o=0.86,f=0.022) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -3.699 -9.278 -5.044 1.00 0.00 N ATOM 2 CA ALA A 1 -2.450 -8.912 -4.316 1.00 0.00 C ATOM 3 C ALA A 1 -1.825 -7.616 -4.871 1.00 0.00 C ATOM 4 O ALA A 1 -2.116 -7.214 -5.999 1.00 0.00 O ATOM 5 CB ALA A 1 -1.436 -10.075 -4.327 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.519 -9.139 -4.419 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.799 -8.676 -5.886 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.651 -10.275 -5.335 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.723 -8.719 -3.278 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.536 -9.778 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.877 -10.947 -3.844 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.178 -10.323 -5.357 1.00 0.00 H new ATOM 13 N VAL A 2 -0.966 -6.955 -4.081 1.00 0.00 N ATOM 14 CA VAL A 2 -0.292 -5.676 -4.412 1.00 0.00 C ATOM 15 C VAL A 2 1.212 -5.772 -4.107 1.00 0.00 C ATOM 16 O VAL A 2 1.603 -6.392 -3.118 1.00 0.00 O ATOM 17 CB VAL A 2 -0.935 -4.499 -3.636 1.00 0.00 C ATOM 18 CG1 VAL A 2 -0.319 -3.140 -4.001 1.00 0.00 C ATOM 19 CG2 VAL A 2 -2.443 -4.386 -3.905 1.00 0.00 C ATOM 0 H VAL A 2 -0.707 -7.304 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.418 -5.485 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.745 -4.727 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.808 -2.353 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.746 -3.149 -3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.457 -2.952 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.851 -3.548 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.611 -4.223 -4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.938 -5.307 -3.596 1.00 0.00 H new ATOM 29 N GLU A 3 2.049 -5.140 -4.941 1.00 0.00 N ATOM 30 CA GLU A 3 3.514 -5.043 -4.774 1.00 0.00 C ATOM 31 C GLU A 3 4.203 -6.423 -4.633 1.00 0.00 C ATOM 32 O GLU A 3 4.892 -6.715 -3.650 1.00 0.00 O ATOM 33 CB GLU A 3 3.837 -4.028 -3.658 1.00 0.00 C ATOM 34 CG GLU A 3 5.271 -3.487 -3.723 1.00 0.00 C ATOM 35 CD GLU A 3 5.516 -2.472 -2.589 1.00 0.00 C ATOM 36 OE1 GLU A 3 6.018 -2.865 -1.507 1.00 0.00 O ATOM 37 OE2 GLU A 3 5.207 -1.267 -2.768 1.00 0.00 O ATOM 0 H GLU A 3 1.718 -4.664 -5.781 1.00 0.00 H new ATOM 0 HA GLU A 3 3.955 -4.652 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.139 -3.194 -3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.679 -4.502 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.981 -4.310 -3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.443 -3.011 -4.689 1.00 0.00 H new ATOM 44 N VAL A 4 3.990 -7.292 -5.631 1.00 0.00 N ATOM 45 CA VAL A 4 4.529 -8.665 -5.690 1.00 0.00 C ATOM 46 C VAL A 4 5.713 -8.718 -6.663 1.00 0.00 C ATOM 47 O VAL A 4 5.732 -8.005 -7.668 1.00 0.00 O ATOM 48 CB VAL A 4 3.416 -9.669 -6.071 1.00 0.00 C ATOM 49 CG1 VAL A 4 3.886 -11.130 -6.044 1.00 0.00 C ATOM 50 CG2 VAL A 4 2.217 -9.573 -5.116 1.00 0.00 C ATOM 0 H VAL A 4 3.422 -7.056 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 4 4.895 -8.954 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 4 3.135 -9.393 -7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.059 -11.784 -6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.705 -11.262 -6.751 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.229 -11.383 -5.041 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.455 -10.293 -5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.543 -9.791 -4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.800 -8.567 -5.155 1.00 0.00 H new ATOM 60 N GLU A 5 6.688 -9.590 -6.403 1.00 0.00 N ATOM 61 CA GLU A 5 7.877 -9.848 -7.236 1.00 0.00 C ATOM 62 C GLU A 5 7.566 -10.634 -8.539 1.00 0.00 C ATOM 63 O GLU A 5 8.196 -11.643 -8.864 1.00 0.00 O ATOM 64 CB GLU A 5 9.004 -10.469 -6.381 1.00 0.00 C ATOM 65 CG GLU A 5 8.651 -11.782 -5.656 1.00 0.00 C ATOM 66 CD GLU A 5 8.103 -11.534 -4.236 1.00 0.00 C ATOM 67 OE1 GLU A 5 8.871 -11.666 -3.251 1.00 0.00 O ATOM 68 OE2 GLU A 5 6.898 -11.209 -4.093 1.00 0.00 O ATOM 0 H GLU A 5 6.675 -10.169 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 5 8.240 -8.888 -7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.864 -10.652 -7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.314 -9.737 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.910 -12.329 -6.239 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.538 -12.412 -5.596 1.00 0.00 H new ATOM 75 N VAL A 6 6.557 -10.168 -9.283 1.00 0.00 N ATOM 76 CA VAL A 6 6.075 -10.739 -10.552 1.00 0.00 C ATOM 77 C VAL A 6 7.098 -10.598 -11.701 1.00 0.00 C ATOM 78 O VAL A 6 7.424 -11.624 -12.307 1.00 0.00 O ATOM 79 CB VAL A 6 4.681 -10.164 -10.894 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.246 -10.410 -12.344 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.620 -10.793 -9.985 1.00 0.00 C ATOM 0 H VAL A 6 6.026 -9.342 -9.006 1.00 0.00 H new ATOM 0 HA VAL A 6 5.964 -11.815 -10.421 1.00 0.00 H new ATOM 0 HB VAL A 6 4.766 -9.088 -10.744 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.259 -9.977 -12.506 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.962 -9.945 -13.022 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.208 -11.482 -12.536 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.640 -10.383 -10.232 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.609 -11.873 -10.132 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.855 -10.571 -8.944 1.00 0.00 H new ATOM 91 N PRO A 7 7.637 -9.399 -12.024 1.00 0.00 N ATOM 92 CA PRO A 7 8.659 -9.250 -13.063 1.00 0.00 C ATOM 93 C PRO A 7 10.073 -9.606 -12.564 1.00 0.00 C ATOM 94 O PRO A 7 10.331 -9.743 -11.365 1.00 0.00 O ATOM 95 CB PRO A 7 8.574 -7.786 -13.500 1.00 0.00 C ATOM 96 CG PRO A 7 8.230 -7.090 -12.186 1.00 0.00 C ATOM 97 CD PRO A 7 7.273 -8.079 -11.515 1.00 0.00 C ATOM 0 HA PRO A 7 8.478 -9.939 -13.888 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.515 -7.428 -13.918 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.808 -7.629 -14.259 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.118 -6.912 -11.579 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.758 -6.122 -12.353 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.368 -8.039 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.236 -7.841 -11.753 1.00 0.00 H new ATOM 105 N GLY A 8 11.004 -9.714 -13.517 1.00 0.00 N ATOM 106 CA GLY A 8 12.438 -9.952 -13.280 1.00 0.00 C ATOM 107 C GLY A 8 13.100 -10.814 -14.363 1.00 0.00 C ATOM 108 O GLY A 8 12.476 -11.733 -14.895 1.00 0.00 O ATOM 0 H GLY A 8 10.776 -9.636 -14.508 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.953 -8.993 -13.224 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.563 -10.438 -12.312 1.00 0.00 H new ATOM 112 N LEU A 9 14.366 -10.516 -14.698 1.00 0.00 N ATOM 113 CA LEU A 9 15.174 -11.287 -15.665 1.00 0.00 C ATOM 114 C LEU A 9 16.672 -11.390 -15.294 1.00 0.00 C ATOM 115 O LEU A 9 17.535 -11.431 -16.171 1.00 0.00 O ATOM 116 CB LEU A 9 14.864 -10.844 -17.119 1.00 0.00 C ATOM 117 CG LEU A 9 15.023 -9.359 -17.504 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.467 -8.880 -17.612 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.369 -9.103 -18.862 1.00 0.00 C ATOM 0 H LEU A 9 14.867 -9.721 -14.300 1.00 0.00 H new ATOM 0 HA LEU A 9 14.862 -12.330 -15.605 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.504 -11.425 -17.782 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.835 -11.131 -17.337 1.00 0.00 H new ATOM 0 HG LEU A 9 14.547 -8.808 -16.692 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.481 -7.825 -17.887 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.967 -9.012 -16.652 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.987 -9.460 -18.374 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.484 -8.053 -19.129 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.847 -9.724 -19.619 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.309 -9.349 -18.807 1.00 0.00 H new ATOM 131 N LEU A 10 16.982 -11.469 -13.988 1.00 0.00 N ATOM 132 CA LEU A 10 18.342 -11.746 -13.510 1.00 0.00 C ATOM 133 C LEU A 10 18.802 -13.095 -14.073 1.00 0.00 C ATOM 134 O LEU A 10 18.170 -14.129 -13.830 1.00 0.00 O ATOM 135 CB LEU A 10 18.419 -11.761 -11.967 1.00 0.00 C ATOM 136 CG LEU A 10 18.439 -10.367 -11.313 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.842 -10.414 -9.906 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.863 -9.825 -11.171 1.00 0.00 C ATOM 0 H LEU A 10 16.299 -11.343 -13.241 1.00 0.00 H new ATOM 0 HA LEU A 10 18.998 -10.948 -13.858 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.566 -12.318 -11.579 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.316 -12.302 -11.666 1.00 0.00 H new ATOM 0 HG LEU A 10 17.853 -9.721 -11.967 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.868 -9.417 -9.466 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.810 -10.760 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.422 -11.099 -9.287 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.833 -8.840 -10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.450 -10.502 -10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.322 -9.746 -12.156 1.00 0.00 H new ATOM 150 N THR A 11 19.917 -13.065 -14.797 1.00 0.00 N ATOM 151 CA THR A 11 20.590 -14.252 -15.326 1.00 0.00 C ATOM 152 C THR A 11 22.050 -14.280 -14.888 1.00 0.00 C ATOM 153 O THR A 11 22.733 -13.254 -14.847 1.00 0.00 O ATOM 154 CB THR A 11 20.454 -14.339 -16.856 1.00 0.00 C ATOM 155 OG1 THR A 11 19.097 -14.564 -17.197 1.00 0.00 O ATOM 156 CG2 THR A 11 21.261 -15.487 -17.466 1.00 0.00 C ATOM 0 H THR A 11 20.391 -12.195 -15.039 1.00 0.00 H new ATOM 0 HA THR A 11 20.100 -15.133 -14.912 1.00 0.00 H new ATOM 0 HB THR A 11 20.832 -13.395 -17.249 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.009 -14.618 -18.172 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.123 -15.494 -18.547 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.318 -15.351 -17.236 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.918 -16.434 -17.050 1.00 0.00 H new ATOM 164 N ASP A 12 22.530 -15.477 -14.563 1.00 0.00 N ATOM 165 CA ASP A 12 23.921 -15.800 -14.263 1.00 0.00 C ATOM 166 C ASP A 12 24.801 -15.788 -15.532 1.00 0.00 C ATOM 167 O ASP A 12 25.426 -16.786 -15.899 1.00 0.00 O ATOM 168 CB ASP A 12 23.978 -17.127 -13.482 1.00 0.00 C ATOM 169 CG ASP A 12 23.434 -18.347 -14.256 1.00 0.00 C ATOM 170 OD1 ASP A 12 22.269 -18.306 -14.729 1.00 0.00 O ATOM 171 OD2 ASP A 12 24.137 -19.383 -14.338 1.00 0.00 O ATOM 0 H ASP A 12 21.923 -16.294 -14.498 1.00 0.00 H new ATOM 0 HA ASP A 12 24.346 -15.025 -13.625 1.00 0.00 H new ATOM 0 HB2 ASP A 12 25.012 -17.324 -13.199 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.410 -17.015 -12.558 1.00 0.00 H new ATOM 176 N HIS A 13 24.879 -14.633 -16.208 1.00 0.00 N ATOM 177 CA HIS A 13 25.798 -14.375 -17.328 1.00 0.00 C ATOM 178 C HIS A 13 27.223 -14.096 -16.803 1.00 0.00 C ATOM 179 O HIS A 13 27.910 -13.167 -17.234 1.00 0.00 O ATOM 180 CB HIS A 13 25.234 -13.264 -18.240 1.00 0.00 C ATOM 181 CG HIS A 13 24.067 -13.663 -19.113 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.897 -12.916 -19.292 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.022 -14.751 -19.938 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.176 -13.572 -20.217 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.826 -14.681 -20.617 1.00 0.00 N ATOM 0 H HIS A 13 24.290 -13.831 -15.986 1.00 0.00 H new ATOM 0 HA HIS A 13 25.880 -15.264 -17.954 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.926 -12.427 -17.614 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.038 -12.903 -18.882 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.777 -15.517 -20.038 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.212 -13.255 -20.587 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.490 -15.354 -21.305 1.00 0.00 H new ATOM 193 N THR A 14 27.658 -14.894 -15.824 1.00 0.00 N ATOM 194 CA THR A 14 28.902 -14.722 -15.072 1.00 0.00 C ATOM 195 C THR A 14 29.691 -16.037 -14.962 1.00 0.00 C ATOM 196 O THR A 14 29.111 -17.093 -14.698 1.00 0.00 O ATOM 197 CB THR A 14 28.644 -14.101 -13.685 1.00 0.00 C ATOM 198 OG1 THR A 14 27.773 -14.897 -12.918 1.00 0.00 O ATOM 199 CG2 THR A 14 27.995 -12.717 -13.729 1.00 0.00 C ATOM 0 H THR A 14 27.129 -15.712 -15.522 1.00 0.00 H new ATOM 0 HA THR A 14 29.521 -14.022 -15.634 1.00 0.00 H new ATOM 0 HB THR A 14 29.640 -14.029 -13.249 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.631 -14.477 -12.044 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.848 -12.352 -12.713 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.643 -12.029 -14.272 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.031 -12.783 -14.234 1.00 0.00 H new ATOM 207 N VAL A 15 31.015 -15.995 -15.199 1.00 0.00 N ATOM 208 CA VAL A 15 31.887 -17.194 -15.343 1.00 0.00 C ATOM 209 C VAL A 15 33.213 -17.101 -14.562 1.00 0.00 C ATOM 210 O VAL A 15 34.249 -17.628 -14.976 1.00 0.00 O ATOM 211 CB VAL A 15 32.102 -17.580 -16.829 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.766 -17.970 -17.470 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.743 -16.492 -17.698 1.00 0.00 C ATOM 0 H VAL A 15 31.525 -15.117 -15.299 1.00 0.00 H new ATOM 0 HA VAL A 15 31.339 -18.010 -14.872 1.00 0.00 H new ATOM 0 HB VAL A 15 32.803 -18.414 -16.797 1.00 0.00 H new ATOM 0 HG11 VAL A 15 30.928 -18.239 -18.514 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.342 -18.821 -16.937 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.077 -17.127 -17.416 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.851 -16.858 -18.719 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.110 -15.605 -17.696 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.725 -16.238 -17.298 1.00 0.00 H new ATOM 223 N SER A 16 33.165 -16.457 -13.391 1.00 0.00 N ATOM 224 CA SER A 16 34.325 -16.177 -12.519 1.00 0.00 C ATOM 225 C SER A 16 34.105 -16.695 -11.094 1.00 0.00 C ATOM 226 O SER A 16 32.978 -16.682 -10.609 1.00 0.00 O ATOM 227 CB SER A 16 34.596 -14.668 -12.529 1.00 0.00 C ATOM 228 OG SER A 16 35.255 -14.253 -11.342 1.00 0.00 O ATOM 0 H SER A 16 32.290 -16.102 -13.005 1.00 0.00 H new ATOM 0 HA SER A 16 35.196 -16.706 -12.906 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.207 -14.412 -13.395 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.655 -14.128 -12.632 1.00 0.00 H new ATOM 0 HG SER A 16 35.824 -13.479 -11.537 1.00 0.00 H new ATOM 234 N SER A 17 35.169 -17.072 -10.376 1.00 0.00 N ATOM 235 CA SER A 17 35.086 -17.533 -8.976 1.00 0.00 C ATOM 236 C SER A 17 34.458 -16.491 -8.032 1.00 0.00 C ATOM 237 O SER A 17 33.732 -16.856 -7.107 1.00 0.00 O ATOM 238 CB SER A 17 36.481 -17.905 -8.459 1.00 0.00 C ATOM 239 OG SER A 17 37.086 -18.873 -9.308 1.00 0.00 O ATOM 0 H SER A 17 36.119 -17.068 -10.747 1.00 0.00 H new ATOM 0 HA SER A 17 34.433 -18.406 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 17 37.107 -17.014 -8.410 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.407 -18.298 -7.445 1.00 0.00 H new ATOM 0 HG SER A 17 37.976 -19.098 -8.965 1.00 0.00 H new ATOM 245 N ILE A 18 34.686 -15.194 -8.295 1.00 0.00 N ATOM 246 CA ILE A 18 34.001 -14.068 -7.625 1.00 0.00 C ATOM 247 C ILE A 18 32.755 -13.608 -8.390 1.00 0.00 C ATOM 248 O ILE A 18 31.723 -13.365 -7.776 1.00 0.00 O ATOM 249 CB ILE A 18 34.956 -12.877 -7.349 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.055 -12.752 -8.425 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.551 -12.998 -5.937 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.806 -11.431 -8.475 1.00 0.00 C ATOM 0 H ILE A 18 35.365 -14.889 -8.993 1.00 0.00 H new ATOM 0 HA ILE A 18 33.669 -14.450 -6.659 1.00 0.00 H new ATOM 0 HB ILE A 18 34.374 -11.957 -7.401 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.780 -13.551 -8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.599 -12.923 -9.400 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.220 -12.158 -5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.747 -12.991 -5.201 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.109 -13.931 -5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.551 -11.466 -9.270 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.104 -10.620 -8.670 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.303 -11.258 -7.520 1.00 0.00 H new ATOM 264 N GLY A 19 32.790 -13.510 -9.724 1.00 0.00 N ATOM 265 CA GLY A 19 31.642 -12.998 -10.493 1.00 0.00 C ATOM 266 C GLY A 19 30.411 -13.920 -10.477 1.00 0.00 C ATOM 267 O GLY A 19 29.279 -13.440 -10.510 1.00 0.00 O ATOM 0 H GLY A 19 33.594 -13.776 -10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.358 -12.024 -10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.952 -12.842 -11.526 1.00 0.00 H new ATOM 271 N HIS A 20 30.610 -15.234 -10.341 1.00 0.00 N ATOM 272 CA HIS A 20 29.536 -16.208 -10.101 1.00 0.00 C ATOM 273 C HIS A 20 28.908 -16.024 -8.711 1.00 0.00 C ATOM 274 O HIS A 20 27.691 -16.116 -8.560 1.00 0.00 O ATOM 275 CB HIS A 20 30.078 -17.636 -10.258 1.00 0.00 C ATOM 276 CG HIS A 20 29.018 -18.699 -10.087 1.00 0.00 C ATOM 277 ND1 HIS A 20 28.070 -19.064 -11.049 1.00 0.00 N ATOM 278 CD2 HIS A 20 28.827 -19.459 -8.968 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.331 -20.037 -10.486 1.00 0.00 C ATOM 280 NE2 HIS A 20 27.765 -20.294 -9.239 1.00 0.00 N ATOM 0 H HIS A 20 31.535 -15.660 -10.395 1.00 0.00 H new ATOM 0 HA HIS A 20 28.754 -16.037 -10.841 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.531 -17.739 -11.244 1.00 0.00 H new ATOM 0 HB3 HIS A 20 30.869 -17.800 -9.526 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.396 -19.414 -8.051 1.00 0.00 H new ATOM 0 HE1 HIS A 20 26.506 -20.541 -10.967 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.374 -20.989 -8.602 1.00 0.00 H new ATOM 288 N ASP A 21 29.715 -15.690 -7.697 1.00 0.00 N ATOM 289 CA ASP A 21 29.219 -15.420 -6.347 1.00 0.00 C ATOM 290 C ASP A 21 28.501 -14.066 -6.281 1.00 0.00 C ATOM 291 O ASP A 21 27.484 -13.964 -5.595 1.00 0.00 O ATOM 292 CB ASP A 21 30.363 -15.504 -5.323 1.00 0.00 C ATOM 293 CG ASP A 21 30.789 -16.940 -4.945 1.00 0.00 C ATOM 294 OD1 ASP A 21 30.232 -17.935 -5.468 1.00 0.00 O ATOM 295 OD2 ASP A 21 31.672 -17.076 -4.063 1.00 0.00 O ATOM 0 H ASP A 21 30.727 -15.600 -7.791 1.00 0.00 H new ATOM 0 HA ASP A 21 28.487 -16.186 -6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.229 -14.976 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.060 -14.979 -4.417 1.00 0.00 H new ATOM 300 N PHE A 22 28.957 -13.042 -7.025 1.00 0.00 N ATOM 301 CA PHE A 22 28.258 -11.751 -7.119 1.00 0.00 C ATOM 302 C PHE A 22 26.818 -11.936 -7.581 1.00 0.00 C ATOM 303 O PHE A 22 25.926 -11.339 -6.992 1.00 0.00 O ATOM 304 CB PHE A 22 28.986 -10.794 -8.075 1.00 0.00 C ATOM 305 CG PHE A 22 28.362 -9.405 -8.154 1.00 0.00 C ATOM 306 CD1 PHE A 22 28.842 -8.338 -7.369 1.00 0.00 C ATOM 307 CD2 PHE A 22 27.266 -9.187 -9.006 1.00 0.00 C ATOM 308 CE1 PHE A 22 28.255 -7.062 -7.469 1.00 0.00 C ATOM 309 CE2 PHE A 22 26.657 -7.923 -9.088 1.00 0.00 C ATOM 310 CZ PHE A 22 27.165 -6.856 -8.331 1.00 0.00 C ATOM 0 H PHE A 22 29.815 -13.087 -7.574 1.00 0.00 H new ATOM 0 HA PHE A 22 28.253 -11.315 -6.120 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.024 -10.698 -7.756 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.999 -11.233 -9.073 1.00 0.00 H new ATOM 0 HD1 PHE A 22 29.664 -8.500 -6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 22 26.887 -10.001 -9.606 1.00 0.00 H new ATOM 0 HE1 PHE A 22 28.643 -6.242 -6.883 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.802 -7.773 -9.731 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.718 -5.876 -8.411 1.00 0.00 H new ATOM 320 N TYR A 23 26.574 -12.786 -8.584 1.00 0.00 N ATOM 321 CA TYR A 23 25.217 -13.083 -9.056 1.00 0.00 C ATOM 322 C TYR A 23 24.294 -13.522 -7.905 1.00 0.00 C ATOM 323 O TYR A 23 23.254 -12.903 -7.674 1.00 0.00 O ATOM 324 CB TYR A 23 25.257 -14.152 -10.159 1.00 0.00 C ATOM 325 CG TYR A 23 23.868 -14.571 -10.592 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.294 -15.750 -10.081 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.118 -13.724 -11.423 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.956 -16.072 -10.383 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.775 -14.027 -11.705 1.00 0.00 C ATOM 330 CZ TYR A 23 21.190 -15.203 -11.191 1.00 0.00 C ATOM 331 OH TYR A 23 19.892 -15.493 -11.487 1.00 0.00 O ATOM 0 H TYR A 23 27.306 -13.285 -9.089 1.00 0.00 H new ATOM 0 HA TYR A 23 24.802 -12.164 -9.471 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.804 -13.766 -11.019 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.803 -15.024 -9.799 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.880 -16.409 -9.457 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.573 -12.840 -11.845 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.517 -16.981 -9.998 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.189 -13.357 -12.317 1.00 0.00 H new ATOM 0 HH TYR A 23 19.607 -14.964 -12.262 1.00 0.00 H new ATOM 341 N ARG A 24 24.714 -14.548 -7.149 1.00 0.00 N ATOM 342 CA ARG A 24 23.924 -15.138 -6.056 1.00 0.00 C ATOM 343 C ARG A 24 23.764 -14.167 -4.884 1.00 0.00 C ATOM 344 O ARG A 24 22.664 -13.985 -4.366 1.00 0.00 O ATOM 345 CB ARG A 24 24.560 -16.457 -5.581 1.00 0.00 C ATOM 346 CG ARG A 24 24.755 -17.467 -6.726 1.00 0.00 C ATOM 347 CD ARG A 24 25.079 -18.877 -6.217 1.00 0.00 C ATOM 348 NE ARG A 24 23.913 -19.508 -5.560 1.00 0.00 N ATOM 349 CZ ARG A 24 23.908 -20.625 -4.852 1.00 0.00 C ATOM 350 NH1 ARG A 24 24.989 -21.322 -4.643 1.00 0.00 N ATOM 351 NH2 ARG A 24 22.798 -21.070 -4.335 1.00 0.00 N ATOM 0 H ARG A 24 25.621 -14.996 -7.280 1.00 0.00 H new ATOM 0 HA ARG A 24 22.928 -15.348 -6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.525 -16.245 -5.120 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.930 -16.903 -4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.850 -17.502 -7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.561 -17.124 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.406 -19.498 -7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 24 25.909 -18.827 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 24 23.018 -19.031 -5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 24 25.879 -21.011 -5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.945 -22.179 -4.091 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.928 -20.556 -4.476 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.799 -21.932 -3.790 1.00 0.00 H new ATOM 365 N ALA A 25 24.854 -13.505 -4.497 1.00 0.00 N ATOM 366 CA ALA A 25 24.860 -12.535 -3.408 1.00 0.00 C ATOM 367 C ALA A 25 24.019 -11.293 -3.735 1.00 0.00 C ATOM 368 O ALA A 25 23.252 -10.840 -2.892 1.00 0.00 O ATOM 369 CB ALA A 25 26.313 -12.171 -3.095 1.00 0.00 C ATOM 0 H ALA A 25 25.766 -13.630 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 25 24.396 -12.980 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.339 -11.445 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.857 -13.068 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.779 -11.740 -3.981 1.00 0.00 H new ATOM 375 N PHE A 26 24.103 -10.761 -4.957 1.00 0.00 N ATOM 376 CA PHE A 26 23.282 -9.636 -5.397 1.00 0.00 C ATOM 377 C PHE A 26 21.797 -10.014 -5.364 1.00 0.00 C ATOM 378 O PHE A 26 21.010 -9.327 -4.719 1.00 0.00 O ATOM 379 CB PHE A 26 23.746 -9.174 -6.792 1.00 0.00 C ATOM 380 CG PHE A 26 22.954 -8.028 -7.409 1.00 0.00 C ATOM 381 CD1 PHE A 26 23.522 -6.743 -7.514 1.00 0.00 C ATOM 382 CD2 PHE A 26 21.659 -8.250 -7.919 1.00 0.00 C ATOM 383 CE1 PHE A 26 22.800 -5.693 -8.118 1.00 0.00 C ATOM 384 CE2 PHE A 26 20.931 -7.200 -8.498 1.00 0.00 C ATOM 385 CZ PHE A 26 21.501 -5.923 -8.605 1.00 0.00 C ATOM 0 H PHE A 26 24.747 -11.102 -5.671 1.00 0.00 H new ATOM 0 HA PHE A 26 23.406 -8.795 -4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.792 -8.873 -6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.702 -10.027 -7.469 1.00 0.00 H new ATOM 0 HD1 PHE A 26 24.515 -6.561 -7.130 1.00 0.00 H new ATOM 0 HD2 PHE A 26 21.224 -9.237 -7.864 1.00 0.00 H new ATOM 0 HE1 PHE A 26 23.244 -4.713 -8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 26 19.929 -7.375 -8.862 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.943 -5.118 -9.060 1.00 0.00 H new ATOM 395 N SER A 27 21.409 -11.128 -5.994 1.00 0.00 N ATOM 396 CA SER A 27 20.001 -11.544 -6.085 1.00 0.00 C ATOM 397 C SER A 27 19.386 -11.898 -4.721 1.00 0.00 C ATOM 398 O SER A 27 18.189 -11.682 -4.516 1.00 0.00 O ATOM 399 CB SER A 27 19.825 -12.701 -7.074 1.00 0.00 C ATOM 400 OG SER A 27 20.399 -13.902 -6.588 1.00 0.00 O ATOM 0 H SER A 27 22.058 -11.766 -6.454 1.00 0.00 H new ATOM 0 HA SER A 27 19.456 -10.678 -6.459 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.763 -12.857 -7.265 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.285 -12.438 -8.026 1.00 0.00 H new ATOM 0 HG SER A 27 21.075 -13.691 -5.911 1.00 0.00 H new ATOM 406 N ASP A 28 20.196 -12.355 -3.759 1.00 0.00 N ATOM 407 CA ASP A 28 19.782 -12.614 -2.376 1.00 0.00 C ATOM 408 C ASP A 28 19.341 -11.342 -1.621 1.00 0.00 C ATOM 409 O ASP A 28 18.433 -11.429 -0.788 1.00 0.00 O ATOM 410 CB ASP A 28 20.931 -13.299 -1.609 1.00 0.00 C ATOM 411 CG ASP A 28 20.985 -14.835 -1.743 1.00 0.00 C ATOM 412 OD1 ASP A 28 19.954 -15.482 -2.053 1.00 0.00 O ATOM 413 OD2 ASP A 28 22.055 -15.420 -1.442 1.00 0.00 O ATOM 0 H ASP A 28 21.181 -12.560 -3.925 1.00 0.00 H new ATOM 0 HA ASP A 28 18.911 -13.267 -2.427 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.877 -12.886 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.844 -13.045 -0.553 1.00 0.00 H new ATOM 418 N LYS A 29 19.946 -10.173 -1.903 1.00 0.00 N ATOM 419 CA LYS A 29 19.572 -8.874 -1.291 1.00 0.00 C ATOM 420 C LYS A 29 18.905 -7.864 -2.246 1.00 0.00 C ATOM 421 O LYS A 29 18.535 -6.769 -1.819 1.00 0.00 O ATOM 422 CB LYS A 29 20.706 -8.261 -0.430 1.00 0.00 C ATOM 423 CG LYS A 29 22.165 -8.667 -0.728 1.00 0.00 C ATOM 424 CD LYS A 29 22.641 -9.979 -0.073 1.00 0.00 C ATOM 425 CE LYS A 29 22.617 -9.917 1.465 1.00 0.00 C ATOM 426 NZ LYS A 29 23.149 -11.167 2.087 1.00 0.00 N ATOM 0 H LYS A 29 20.716 -10.098 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 29 18.770 -9.129 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.640 -7.177 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.500 -8.508 0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.284 -8.757 -1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.821 -7.860 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.007 -10.799 -0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.654 -10.201 -0.408 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.208 -9.065 1.802 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.595 -9.750 1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.114 -11.081 3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.570 -11.977 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.133 -11.313 1.785 1.00 0.00 H new ATOM 440 N TRP A 30 18.700 -8.222 -3.513 1.00 0.00 N ATOM 441 CA TRP A 30 18.061 -7.366 -4.518 1.00 0.00 C ATOM 442 C TRP A 30 16.595 -7.031 -4.184 1.00 0.00 C ATOM 443 O TRP A 30 15.779 -7.917 -3.915 1.00 0.00 O ATOM 444 CB TRP A 30 18.163 -8.006 -5.906 1.00 0.00 C ATOM 445 CG TRP A 30 17.511 -7.197 -6.981 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.451 -7.580 -7.729 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.811 -5.827 -7.387 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.080 -6.548 -8.568 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.876 -5.437 -8.390 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.769 -4.871 -6.991 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.897 -4.165 -8.978 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.791 -3.586 -7.564 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.864 -3.232 -8.559 1.00 0.00 C ATOM 0 H TRP A 30 18.978 -9.133 -3.879 1.00 0.00 H new ATOM 0 HA TRP A 30 18.603 -6.420 -4.513 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.214 -8.149 -6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.705 -8.995 -5.877 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.969 -8.545 -7.678 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.312 -6.601 -9.237 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.497 -5.129 -6.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.180 -3.904 -9.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.526 -2.866 -7.236 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.893 -2.247 -9.001 1.00 0.00 H new ATOM 464 N GLU A 31 16.266 -5.737 -4.240 1.00 0.00 N ATOM 465 CA GLU A 31 14.914 -5.177 -4.134 1.00 0.00 C ATOM 466 C GLU A 31 14.917 -3.763 -4.744 1.00 0.00 C ATOM 467 O GLU A 31 15.837 -2.980 -4.485 1.00 0.00 O ATOM 468 CB GLU A 31 14.482 -5.128 -2.655 1.00 0.00 C ATOM 469 CG GLU A 31 13.034 -4.656 -2.476 1.00 0.00 C ATOM 470 CD GLU A 31 12.620 -4.718 -0.993 1.00 0.00 C ATOM 471 OE1 GLU A 31 12.840 -3.727 -0.253 1.00 0.00 O ATOM 472 OE2 GLU A 31 12.066 -5.755 -0.553 1.00 0.00 O ATOM 0 H GLU A 31 16.973 -5.013 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 31 14.205 -5.803 -4.675 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.594 -6.119 -2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.148 -4.460 -2.108 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.931 -3.636 -2.845 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.367 -5.279 -3.071 1.00 0.00 H new ATOM 479 N SER A 32 13.900 -3.422 -5.547 1.00 0.00 N ATOM 480 CA SER A 32 13.749 -2.081 -6.135 1.00 0.00 C ATOM 481 C SER A 32 12.283 -1.693 -6.395 1.00 0.00 C ATOM 482 O SER A 32 11.387 -2.541 -6.372 1.00 0.00 O ATOM 483 CB SER A 32 14.571 -1.962 -7.410 1.00 0.00 C ATOM 484 OG SER A 32 14.847 -0.587 -7.623 1.00 0.00 O ATOM 0 H SER A 32 13.156 -4.069 -5.809 1.00 0.00 H new ATOM 0 HA SER A 32 14.126 -1.374 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.498 -2.528 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.024 -2.377 -8.257 1.00 0.00 H new ATOM 0 HG SER A 32 14.951 -0.419 -8.583 1.00 0.00 H new ATOM 490 N ASP A 33 12.033 -0.403 -6.637 1.00 0.00 N ATOM 491 CA ASP A 33 10.682 0.164 -6.809 1.00 0.00 C ATOM 492 C ASP A 33 10.117 0.011 -8.239 1.00 0.00 C ATOM 493 O ASP A 33 8.899 -0.038 -8.431 1.00 0.00 O ATOM 494 CB ASP A 33 10.718 1.641 -6.397 1.00 0.00 C ATOM 495 CG ASP A 33 9.304 2.250 -6.339 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.965 3.090 -7.205 1.00 0.00 O ATOM 497 OD2 ASP A 33 8.539 1.905 -5.405 1.00 0.00 O ATOM 0 H ASP A 33 12.774 0.293 -6.721 1.00 0.00 H new ATOM 0 HA ASP A 33 10.004 -0.403 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.195 1.735 -5.422 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.327 2.202 -7.106 1.00 0.00 H new ATOM 502 N TYR A 34 11.000 -0.082 -9.241 1.00 0.00 N ATOM 503 CA TYR A 34 10.660 -0.244 -10.661 1.00 0.00 C ATOM 504 C TYR A 34 10.427 -1.725 -11.053 1.00 0.00 C ATOM 505 O TYR A 34 10.330 -2.615 -10.205 1.00 0.00 O ATOM 506 CB TYR A 34 11.736 0.451 -11.524 1.00 0.00 C ATOM 507 CG TYR A 34 13.005 -0.354 -11.729 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.305 -0.925 -12.981 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.864 -0.576 -10.643 1.00 0.00 C ATOM 510 CE1 TYR A 34 14.426 -1.762 -13.121 1.00 0.00 C ATOM 511 CE2 TYR A 34 14.978 -1.423 -10.770 1.00 0.00 C ATOM 512 CZ TYR A 34 15.264 -2.021 -12.014 1.00 0.00 C ATOM 513 OH TYR A 34 16.342 -2.835 -12.150 1.00 0.00 O ATOM 0 H TYR A 34 12.007 -0.045 -9.080 1.00 0.00 H new ATOM 0 HA TYR A 34 9.703 0.242 -10.851 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.307 0.681 -12.499 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.997 1.402 -11.059 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.674 -0.720 -13.833 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.667 -0.091 -9.699 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.647 -2.209 -14.079 1.00 0.00 H new ATOM 0 HE2 TYR A 34 15.613 -1.615 -9.918 1.00 0.00 H new ATOM 0 HH TYR A 34 16.801 -2.917 -11.288 1.00 0.00 H new ATOM 523 N THR A 35 10.348 -2.000 -12.360 1.00 0.00 N ATOM 524 CA THR A 35 9.979 -3.302 -12.952 1.00 0.00 C ATOM 525 C THR A 35 11.075 -4.377 -12.828 1.00 0.00 C ATOM 526 O THR A 35 10.846 -5.526 -13.182 1.00 0.00 O ATOM 527 CB THR A 35 9.565 -3.108 -14.431 1.00 0.00 C ATOM 528 OG1 THR A 35 9.003 -1.822 -14.640 1.00 0.00 O ATOM 529 CG2 THR A 35 8.512 -4.118 -14.892 1.00 0.00 C ATOM 0 H THR A 35 10.547 -1.294 -13.069 1.00 0.00 H new ATOM 0 HA THR A 35 9.134 -3.678 -12.375 1.00 0.00 H new ATOM 0 HB THR A 35 10.484 -3.244 -15.001 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.751 -1.724 -15.582 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.262 -3.932 -15.936 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.907 -5.129 -14.788 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.616 -4.014 -14.280 1.00 0.00 H new ATOM 537 N GLY A 36 12.276 -4.049 -12.333 1.00 0.00 N ATOM 538 CA GLY A 36 13.311 -5.043 -11.987 1.00 0.00 C ATOM 539 C GLY A 36 13.883 -5.842 -13.159 1.00 0.00 C ATOM 540 O GLY A 36 14.384 -6.949 -12.979 1.00 0.00 O ATOM 0 H GLY A 36 12.562 -3.085 -12.159 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.132 -4.527 -11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.889 -5.743 -11.266 1.00 0.00 H new ATOM 544 N ASN A 37 13.819 -5.303 -14.378 1.00 0.00 N ATOM 545 CA ASN A 37 14.280 -5.992 -15.589 1.00 0.00 C ATOM 546 C ASN A 37 15.795 -5.835 -15.812 1.00 0.00 C ATOM 547 O ASN A 37 16.240 -5.202 -16.768 1.00 0.00 O ATOM 548 CB ASN A 37 13.448 -5.553 -16.802 1.00 0.00 C ATOM 549 CG ASN A 37 11.952 -5.787 -16.676 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.154 -4.872 -16.792 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.521 -7.010 -16.460 1.00 0.00 N ATOM 0 H ASN A 37 13.444 -4.371 -14.556 1.00 0.00 H new ATOM 0 HA ASN A 37 14.120 -7.061 -15.452 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.621 -4.491 -16.976 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.810 -6.083 -17.683 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.520 -7.193 -16.390 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.188 -7.776 -16.363 1.00 0.00 H new ATOM 558 N LEU A 38 16.590 -6.412 -14.913 1.00 0.00 N ATOM 559 CA LEU A 38 18.060 -6.342 -14.914 1.00 0.00 C ATOM 560 C LEU A 38 18.758 -7.704 -14.982 1.00 0.00 C ATOM 561 O LEU A 38 18.237 -8.690 -14.470 1.00 0.00 O ATOM 562 CB LEU A 38 18.574 -5.514 -13.721 1.00 0.00 C ATOM 563 CG LEU A 38 18.679 -6.232 -12.355 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.211 -5.263 -11.313 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.353 -6.746 -11.807 1.00 0.00 C ATOM 0 H LEU A 38 16.222 -6.961 -14.136 1.00 0.00 H new ATOM 0 HA LEU A 38 18.326 -5.835 -15.842 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.561 -5.129 -13.977 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.918 -4.652 -13.600 1.00 0.00 H new ATOM 0 HG LEU A 38 19.334 -7.084 -12.536 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.285 -5.769 -10.350 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.197 -4.910 -11.614 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.533 -4.414 -11.226 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.521 -7.235 -10.847 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.666 -5.910 -11.673 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.922 -7.461 -12.508 1.00 0.00 H new ATOM 577 N THR A 39 19.966 -7.736 -15.545 1.00 0.00 N ATOM 578 CA THR A 39 20.853 -8.910 -15.563 1.00 0.00 C ATOM 579 C THR A 39 22.303 -8.529 -15.243 1.00 0.00 C ATOM 580 O THR A 39 22.685 -7.359 -15.316 1.00 0.00 O ATOM 581 CB THR A 39 20.731 -9.676 -16.883 1.00 0.00 C ATOM 582 OG1 THR A 39 21.298 -10.948 -16.673 1.00 0.00 O ATOM 583 CG2 THR A 39 21.420 -9.012 -18.071 1.00 0.00 C ATOM 0 H THR A 39 20.370 -6.926 -16.015 1.00 0.00 H new ATOM 0 HA THR A 39 20.528 -9.584 -14.771 1.00 0.00 H new ATOM 0 HB THR A 39 19.674 -9.713 -17.146 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.138 -11.018 -17.173 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.281 -9.625 -18.961 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.987 -8.026 -18.238 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.485 -8.910 -17.863 1.00 0.00 H new ATOM 591 N ILE A 40 23.111 -9.515 -14.851 1.00 0.00 N ATOM 592 CA ILE A 40 24.474 -9.345 -14.327 1.00 0.00 C ATOM 593 C ILE A 40 25.450 -10.046 -15.266 1.00 0.00 C ATOM 594 O ILE A 40 25.321 -11.239 -15.531 1.00 0.00 O ATOM 595 CB ILE A 40 24.574 -9.927 -12.903 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.628 -9.185 -11.931 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.016 -9.895 -12.354 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.373 -9.984 -10.654 1.00 0.00 C ATOM 0 H ILE A 40 22.826 -10.494 -14.890 1.00 0.00 H new ATOM 0 HA ILE A 40 24.721 -8.285 -14.273 1.00 0.00 H new ATOM 0 HB ILE A 40 24.268 -10.971 -12.975 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.060 -8.218 -11.673 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.679 -8.987 -12.430 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.032 -10.316 -11.349 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.666 -10.482 -13.003 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.370 -8.865 -12.322 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.703 -9.423 -10.002 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.916 -10.940 -10.908 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.318 -10.159 -10.140 1.00 0.00 H new ATOM 610 N ASN A 41 26.460 -9.310 -15.719 1.00 0.00 N ATOM 611 CA ASN A 41 27.460 -9.763 -16.677 1.00 0.00 C ATOM 612 C ASN A 41 28.845 -9.611 -16.032 1.00 0.00 C ATOM 613 O ASN A 41 29.066 -8.638 -15.310 1.00 0.00 O ATOM 614 CB ASN A 41 27.332 -8.931 -17.974 1.00 0.00 C ATOM 615 CG ASN A 41 25.896 -8.728 -18.461 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.386 -9.466 -19.290 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.217 -7.710 -17.969 1.00 0.00 N ATOM 0 H ASN A 41 26.609 -8.347 -15.417 1.00 0.00 H new ATOM 0 HA ASN A 41 27.313 -10.810 -16.941 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.788 -7.954 -17.810 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.903 -9.421 -18.762 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.261 -7.536 -18.281 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.647 -7.097 -17.277 1.00 0.00 H new ATOM 624 N GLU A 42 29.792 -10.517 -16.285 1.00 0.00 N ATOM 625 CA GLU A 42 31.190 -10.315 -15.875 1.00 0.00 C ATOM 626 C GLU A 42 32.199 -10.590 -16.997 1.00 0.00 C ATOM 627 O GLU A 42 31.937 -11.404 -17.889 1.00 0.00 O ATOM 628 CB GLU A 42 31.499 -11.096 -14.584 1.00 0.00 C ATOM 629 CG GLU A 42 31.736 -12.593 -14.780 1.00 0.00 C ATOM 630 CD GLU A 42 33.176 -13.010 -15.094 1.00 0.00 C ATOM 631 OE1 GLU A 42 33.312 -14.152 -15.583 1.00 0.00 O ATOM 632 OE2 GLU A 42 34.130 -12.257 -14.808 1.00 0.00 O ATOM 0 H GLU A 42 29.620 -11.397 -16.771 1.00 0.00 H new ATOM 0 HA GLU A 42 31.308 -9.254 -15.653 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.382 -10.661 -14.116 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.671 -10.962 -13.888 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.417 -13.112 -13.876 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.094 -12.939 -15.590 1.00 0.00 H new ATOM 639 N ARG A 43 33.360 -9.923 -16.939 1.00 0.00 N ATOM 640 CA ARG A 43 34.522 -10.221 -17.785 1.00 0.00 C ATOM 641 C ARG A 43 35.693 -10.695 -16.911 1.00 0.00 C ATOM 642 O ARG A 43 36.183 -9.900 -16.101 1.00 0.00 O ATOM 643 CB ARG A 43 34.891 -9.008 -18.658 1.00 0.00 C ATOM 644 CG ARG A 43 35.915 -9.340 -19.759 1.00 0.00 C ATOM 645 CD ARG A 43 35.295 -10.125 -20.923 1.00 0.00 C ATOM 646 NE ARG A 43 36.305 -10.437 -21.953 1.00 0.00 N ATOM 647 CZ ARG A 43 36.092 -11.022 -23.121 1.00 0.00 C ATOM 648 NH1 ARG A 43 34.906 -11.409 -23.499 1.00 0.00 N ATOM 649 NH2 ARG A 43 37.081 -11.235 -23.941 1.00 0.00 N ATOM 0 H ARG A 43 33.520 -9.150 -16.293 1.00 0.00 H new ATOM 0 HA ARG A 43 34.272 -11.031 -18.471 1.00 0.00 H new ATOM 0 HB2 ARG A 43 33.986 -8.613 -19.120 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.294 -8.220 -18.022 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.347 -8.414 -20.139 1.00 0.00 H new ATOM 0 HG3 ARG A 43 36.731 -9.920 -19.328 1.00 0.00 H new ATOM 0 HD2 ARG A 43 34.856 -11.050 -20.549 1.00 0.00 H new ATOM 0 HD3 ARG A 43 34.486 -9.545 -21.367 1.00 0.00 H new ATOM 0 HE ARG A 43 37.268 -10.174 -21.743 1.00 0.00 H new ATOM 0 HH11 ARG A 43 34.103 -11.264 -22.887 1.00 0.00 H new ATOM 0 HH12 ARG A 43 34.781 -11.857 -24.407 1.00 0.00 H new ATOM 0 HH21 ARG A 43 38.026 -10.951 -23.685 1.00 0.00 H new ATOM 0 HH22 ARG A 43 36.910 -11.686 -24.840 1.00 0.00 H new ATOM 663 N PRO A 44 36.161 -11.945 -17.086 1.00 0.00 N ATOM 664 CA PRO A 44 37.234 -12.510 -16.282 1.00 0.00 C ATOM 665 C PRO A 44 38.588 -11.991 -16.785 1.00 0.00 C ATOM 666 O PRO A 44 38.931 -12.144 -17.962 1.00 0.00 O ATOM 667 CB PRO A 44 37.062 -14.026 -16.414 1.00 0.00 C ATOM 668 CG PRO A 44 36.466 -14.201 -17.808 1.00 0.00 C ATOM 669 CD PRO A 44 35.592 -12.963 -17.960 1.00 0.00 C ATOM 0 HA PRO A 44 37.199 -12.223 -15.231 1.00 0.00 H new ATOM 0 HB2 PRO A 44 38.014 -14.547 -16.317 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.402 -14.423 -15.643 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.239 -14.247 -18.575 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.884 -15.119 -17.886 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.579 -12.622 -18.995 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.560 -13.180 -17.683 1.00 0.00 H new ATOM 677 N SER A 45 39.359 -11.373 -15.889 1.00 0.00 N ATOM 678 CA SER A 45 40.570 -10.614 -16.223 1.00 0.00 C ATOM 679 C SER A 45 41.663 -10.880 -15.186 1.00 0.00 C ATOM 680 O SER A 45 41.743 -10.212 -14.152 1.00 0.00 O ATOM 681 CB SER A 45 40.238 -9.115 -16.316 1.00 0.00 C ATOM 682 OG SER A 45 39.339 -8.864 -17.389 1.00 0.00 O ATOM 0 H SER A 45 39.157 -11.385 -14.889 1.00 0.00 H new ATOM 0 HA SER A 45 40.945 -10.940 -17.193 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.797 -8.777 -15.379 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.154 -8.543 -16.462 1.00 0.00 H new ATOM 0 HG SER A 45 39.139 -7.906 -17.431 1.00 0.00 H new ATOM 688 N ALA A 46 42.536 -11.849 -15.475 1.00 0.00 N ATOM 689 CA ALA A 46 43.526 -12.392 -14.533 1.00 0.00 C ATOM 690 C ALA A 46 44.585 -11.385 -14.034 1.00 0.00 C ATOM 691 O ALA A 46 45.292 -11.662 -13.061 1.00 0.00 O ATOM 692 CB ALA A 46 44.172 -13.621 -15.185 1.00 0.00 C ATOM 0 H ALA A 46 42.577 -12.291 -16.393 1.00 0.00 H new ATOM 0 HA ALA A 46 42.993 -12.662 -13.621 1.00 0.00 H new ATOM 0 HB1 ALA A 46 44.912 -14.046 -14.507 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.405 -14.366 -15.397 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.658 -13.326 -16.115 1.00 0.00 H new ATOM 698 N ARG A 47 44.643 -10.186 -14.634 1.00 0.00 N ATOM 699 CA ARG A 47 45.359 -9.010 -14.102 1.00 0.00 C ATOM 700 C ARG A 47 44.974 -8.662 -12.654 1.00 0.00 C ATOM 701 O ARG A 47 45.827 -8.173 -11.911 1.00 0.00 O ATOM 702 CB ARG A 47 45.145 -7.804 -15.046 1.00 0.00 C ATOM 703 CG ARG A 47 43.684 -7.310 -15.101 1.00 0.00 C ATOM 704 CD ARG A 47 43.441 -6.254 -16.188 1.00 0.00 C ATOM 705 NE ARG A 47 44.073 -4.958 -15.864 1.00 0.00 N ATOM 706 CZ ARG A 47 43.981 -3.841 -16.568 1.00 0.00 C ATOM 707 NH1 ARG A 47 43.311 -3.777 -17.685 1.00 0.00 N ATOM 708 NH2 ARG A 47 44.565 -2.751 -16.160 1.00 0.00 N ATOM 0 H ARG A 47 44.183 -10.000 -15.525 1.00 0.00 H new ATOM 0 HA ARG A 47 46.418 -9.264 -14.066 1.00 0.00 H new ATOM 0 HB2 ARG A 47 45.785 -6.983 -14.723 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.464 -8.080 -16.051 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.026 -8.161 -15.278 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.412 -6.893 -14.131 1.00 0.00 H new ATOM 0 HD2 ARG A 47 43.831 -6.618 -17.138 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.368 -6.110 -16.318 1.00 0.00 H new ATOM 0 HE ARG A 47 44.636 -4.921 -15.014 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.836 -4.606 -18.043 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.262 -2.898 -18.201 1.00 0.00 H new ATOM 0 HH21 ARG A 47 45.099 -2.753 -15.291 1.00 0.00 H new ATOM 0 HH22 ARG A 47 44.488 -1.895 -16.709 1.00 0.00 H new ATOM 722 N ALA A 48 43.713 -8.899 -12.258 1.00 0.00 N ATOM 723 CA ALA A 48 43.205 -8.546 -10.924 1.00 0.00 C ATOM 724 C ALA A 48 41.961 -9.325 -10.428 1.00 0.00 C ATOM 725 O ALA A 48 41.754 -9.388 -9.216 1.00 0.00 O ATOM 726 CB ALA A 48 42.912 -7.037 -10.934 1.00 0.00 C ATOM 0 H ALA A 48 43.016 -9.342 -12.856 1.00 0.00 H new ATOM 0 HA ALA A 48 43.981 -8.832 -10.214 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.532 -6.734 -9.959 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.829 -6.490 -11.152 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.167 -6.816 -11.699 1.00 0.00 H new ATOM 732 N GLY A 49 41.121 -9.902 -11.302 1.00 0.00 N ATOM 733 CA GLY A 49 39.862 -10.562 -10.903 1.00 0.00 C ATOM 734 C GLY A 49 38.795 -10.545 -12.003 1.00 0.00 C ATOM 735 O GLY A 49 38.980 -11.174 -13.046 1.00 0.00 O ATOM 0 H GLY A 49 41.294 -9.925 -12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.073 -11.595 -10.627 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.467 -10.069 -10.015 1.00 0.00 H new ATOM 739 N SER A 50 37.683 -9.838 -11.784 1.00 0.00 N ATOM 740 CA SER A 50 36.600 -9.680 -12.769 1.00 0.00 C ATOM 741 C SER A 50 36.079 -8.244 -12.867 1.00 0.00 C ATOM 742 O SER A 50 35.950 -7.537 -11.865 1.00 0.00 O ATOM 743 CB SER A 50 35.421 -10.622 -12.485 1.00 0.00 C ATOM 744 OG SER A 50 34.971 -10.528 -11.146 1.00 0.00 O ATOM 0 H SER A 50 37.503 -9.351 -10.906 1.00 0.00 H new ATOM 0 HA SER A 50 37.051 -9.943 -13.726 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.599 -10.386 -13.160 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.720 -11.649 -12.695 1.00 0.00 H new ATOM 0 HG SER A 50 34.220 -11.142 -11.010 1.00 0.00 H new ATOM 750 N TRP A 51 35.696 -7.829 -14.077 1.00 0.00 N ATOM 751 CA TRP A 51 34.783 -6.698 -14.254 1.00 0.00 C ATOM 752 C TRP A 51 33.359 -7.196 -14.054 1.00 0.00 C ATOM 753 O TRP A 51 32.999 -8.198 -14.658 1.00 0.00 O ATOM 754 CB TRP A 51 34.930 -6.086 -15.653 1.00 0.00 C ATOM 755 CG TRP A 51 35.780 -4.863 -15.726 1.00 0.00 C ATOM 756 CD1 TRP A 51 37.038 -4.800 -16.215 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.435 -3.504 -15.319 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.500 -3.500 -16.134 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.548 -2.656 -15.601 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.290 -2.905 -14.746 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.528 -1.279 -15.329 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.264 -1.524 -14.469 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.373 -0.712 -14.763 1.00 0.00 C ATOM 0 H TRP A 51 36.004 -8.260 -14.949 1.00 0.00 H new ATOM 0 HA TRP A 51 35.022 -5.924 -13.525 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.349 -6.840 -16.320 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.937 -5.842 -16.031 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.596 -5.637 -16.608 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.429 -3.202 -16.431 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.426 -3.512 -14.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.388 -0.664 -15.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.383 -1.084 -14.026 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.338 0.347 -14.554 1.00 0.00 H new ATOM 774 N ILE A 52 32.543 -6.492 -13.272 1.00 0.00 N ATOM 775 CA ILE A 52 31.098 -6.722 -13.131 1.00 0.00 C ATOM 776 C ILE A 52 30.344 -5.575 -13.793 1.00 0.00 C ATOM 777 O ILE A 52 30.629 -4.413 -13.516 1.00 0.00 O ATOM 778 CB ILE A 52 30.698 -6.852 -11.645 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.506 -7.926 -10.892 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.191 -7.146 -11.509 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.426 -9.331 -11.498 1.00 0.00 C ATOM 0 H ILE A 52 32.877 -5.718 -12.697 1.00 0.00 H new ATOM 0 HA ILE A 52 30.837 -7.660 -13.622 1.00 0.00 H new ATOM 0 HB ILE A 52 30.930 -5.892 -11.185 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.551 -7.618 -10.860 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.154 -7.969 -9.861 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.931 -7.234 -10.454 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.620 -6.333 -11.957 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.955 -8.080 -12.020 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.025 -10.019 -10.902 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.389 -9.666 -11.505 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.807 -9.309 -12.519 1.00 0.00 H new ATOM 793 N THR A 53 29.351 -5.906 -14.616 1.00 0.00 N ATOM 794 CA THR A 53 28.555 -4.949 -15.396 1.00 0.00 C ATOM 795 C THR A 53 27.087 -5.355 -15.340 1.00 0.00 C ATOM 796 O THR A 53 26.708 -6.414 -15.839 1.00 0.00 O ATOM 797 CB THR A 53 29.061 -4.895 -16.850 1.00 0.00 C ATOM 798 OG1 THR A 53 30.433 -4.555 -16.866 1.00 0.00 O ATOM 799 CG2 THR A 53 28.349 -3.831 -17.684 1.00 0.00 C ATOM 0 H THR A 53 29.067 -6.874 -14.766 1.00 0.00 H new ATOM 0 HA THR A 53 28.660 -3.951 -14.971 1.00 0.00 H new ATOM 0 HB THR A 53 28.868 -5.881 -17.273 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.751 -4.523 -17.792 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.746 -3.838 -18.699 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.280 -4.045 -17.711 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.512 -2.850 -17.238 1.00 0.00 H new ATOM 807 N ILE A 54 26.241 -4.519 -14.740 1.00 0.00 N ATOM 808 CA ILE A 54 24.793 -4.749 -14.639 1.00 0.00 C ATOM 809 C ILE A 54 24.075 -3.942 -15.719 1.00 0.00 C ATOM 810 O ILE A 54 24.298 -2.739 -15.890 1.00 0.00 O ATOM 811 CB ILE A 54 24.289 -4.554 -13.188 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.762 -4.682 -12.990 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.814 -3.263 -12.548 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.905 -3.498 -13.463 1.00 0.00 C ATOM 0 H ILE A 54 26.543 -3.648 -14.302 1.00 0.00 H new ATOM 0 HA ILE A 54 24.549 -5.791 -14.846 1.00 0.00 H new ATOM 0 HB ILE A 54 24.720 -5.405 -12.661 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.425 -5.577 -13.513 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.568 -4.840 -11.929 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.429 -3.178 -11.532 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.903 -3.286 -12.523 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.483 -2.406 -13.134 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.853 -3.710 -13.269 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.199 -2.598 -12.924 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.053 -3.346 -14.532 1.00 0.00 H new ATOM 826 N THR A 55 23.202 -4.626 -16.454 1.00 0.00 N ATOM 827 CA THR A 55 22.428 -4.067 -17.567 1.00 0.00 C ATOM 828 C THR A 55 20.926 -4.173 -17.295 1.00 0.00 C ATOM 829 O THR A 55 20.452 -5.181 -16.777 1.00 0.00 O ATOM 830 CB THR A 55 22.810 -4.744 -18.898 1.00 0.00 C ATOM 831 OG1 THR A 55 22.768 -6.148 -18.772 1.00 0.00 O ATOM 832 CG2 THR A 55 24.240 -4.425 -19.334 1.00 0.00 C ATOM 0 H THR A 55 23.005 -5.613 -16.290 1.00 0.00 H new ATOM 0 HA THR A 55 22.673 -3.008 -17.654 1.00 0.00 H new ATOM 0 HB THR A 55 22.093 -4.365 -19.626 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.012 -6.561 -19.627 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.454 -4.928 -20.277 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.349 -3.348 -19.464 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.938 -4.771 -18.572 1.00 0.00 H new ATOM 840 N VAL A 56 20.163 -3.129 -17.636 1.00 0.00 N ATOM 841 CA VAL A 56 18.689 -3.106 -17.600 1.00 0.00 C ATOM 842 C VAL A 56 18.172 -3.304 -19.022 1.00 0.00 C ATOM 843 O VAL A 56 18.447 -2.494 -19.902 1.00 0.00 O ATOM 844 CB VAL A 56 18.161 -1.825 -16.913 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.675 -1.545 -17.169 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.329 -2.009 -15.404 1.00 0.00 C ATOM 0 H VAL A 56 20.563 -2.247 -17.955 1.00 0.00 H new ATOM 0 HA VAL A 56 18.307 -3.923 -16.988 1.00 0.00 H new ATOM 0 HB VAL A 56 18.726 -0.988 -17.323 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.383 -0.630 -16.653 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.506 -1.428 -18.239 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.078 -2.378 -16.797 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.965 -1.121 -14.887 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.758 -2.878 -15.078 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.383 -2.159 -15.171 1.00 0.00 H new ATOM 856 N ASN A 57 17.461 -4.410 -19.240 1.00 0.00 N ATOM 857 CA ASN A 57 17.051 -4.980 -20.537 1.00 0.00 C ATOM 858 C ASN A 57 18.224 -5.234 -21.507 1.00 0.00 C ATOM 859 O ASN A 57 18.614 -6.379 -21.730 1.00 0.00 O ATOM 860 CB ASN A 57 15.916 -4.147 -21.171 1.00 0.00 C ATOM 861 CG ASN A 57 14.662 -4.108 -20.315 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.957 -5.093 -20.158 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.351 -2.971 -19.734 1.00 0.00 N ATOM 0 H ASN A 57 17.128 -4.978 -18.461 1.00 0.00 H new ATOM 0 HA ASN A 57 16.655 -5.974 -20.328 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.268 -3.129 -21.337 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.670 -4.562 -22.148 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.518 -2.908 -19.149 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.943 -2.151 -19.868 1.00 0.00 H new ATOM 870 N GLN A 58 18.786 -4.157 -22.067 1.00 0.00 N ATOM 871 CA GLN A 58 19.901 -4.148 -23.025 1.00 0.00 C ATOM 872 C GLN A 58 20.881 -2.968 -22.822 1.00 0.00 C ATOM 873 O GLN A 58 21.775 -2.757 -23.642 1.00 0.00 O ATOM 874 CB GLN A 58 19.325 -4.184 -24.454 1.00 0.00 C ATOM 875 CG GLN A 58 18.399 -2.999 -24.783 1.00 0.00 C ATOM 876 CD GLN A 58 17.995 -2.986 -26.257 1.00 0.00 C ATOM 877 OE1 GLN A 58 16.924 -3.440 -26.642 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.833 -2.485 -27.142 1.00 0.00 N ATOM 0 H GLN A 58 18.458 -3.215 -21.853 1.00 0.00 H new ATOM 0 HA GLN A 58 20.506 -5.037 -22.850 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.149 -4.197 -25.167 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.772 -5.113 -24.589 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.505 -3.053 -24.162 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.903 -2.065 -24.536 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.728 -2.103 -26.837 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.586 -2.479 -28.132 1.00 0.00 H new ATOM 887 N ASP A 59 20.721 -2.189 -21.744 1.00 0.00 N ATOM 888 CA ASP A 59 21.460 -0.942 -21.487 1.00 0.00 C ATOM 889 C ASP A 59 22.286 -1.036 -20.199 1.00 0.00 C ATOM 890 O ASP A 59 21.760 -1.416 -19.155 1.00 0.00 O ATOM 891 CB ASP A 59 20.469 0.229 -21.394 1.00 0.00 C ATOM 892 CG ASP A 59 19.864 0.585 -22.762 1.00 0.00 C ATOM 893 OD1 ASP A 59 18.646 0.369 -22.967 1.00 0.00 O ATOM 894 OD2 ASP A 59 20.604 1.109 -23.629 1.00 0.00 O ATOM 0 H ASP A 59 20.055 -2.414 -21.005 1.00 0.00 H new ATOM 0 HA ASP A 59 22.152 -0.775 -22.313 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.669 -0.028 -20.700 1.00 0.00 H new ATOM 0 HB3 ASP A 59 20.977 1.102 -20.985 1.00 0.00 H new ATOM 899 N VAL A 60 23.570 -0.669 -20.235 1.00 0.00 N ATOM 900 CA VAL A 60 24.408 -0.606 -19.019 1.00 0.00 C ATOM 901 C VAL A 60 24.039 0.601 -18.154 1.00 0.00 C ATOM 902 O VAL A 60 23.820 1.702 -18.663 1.00 0.00 O ATOM 903 CB VAL A 60 25.918 -0.675 -19.346 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.421 0.471 -20.233 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.771 -0.710 -18.073 1.00 0.00 C ATOM 0 H VAL A 60 24.059 -0.409 -21.092 1.00 0.00 H new ATOM 0 HA VAL A 60 24.195 -1.495 -18.425 1.00 0.00 H new ATOM 0 HB VAL A 60 26.029 -1.604 -19.906 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.489 0.348 -20.415 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.887 0.457 -21.183 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.245 1.423 -19.732 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.826 -0.758 -18.343 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.587 0.191 -17.487 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.507 -1.587 -17.482 1.00 0.00 H new ATOM 915 N ILE A 61 23.991 0.386 -16.834 1.00 0.00 N ATOM 916 CA ILE A 61 23.711 1.440 -15.844 1.00 0.00 C ATOM 917 C ILE A 61 24.731 1.515 -14.703 1.00 0.00 C ATOM 918 O ILE A 61 24.926 2.591 -14.141 1.00 0.00 O ATOM 919 CB ILE A 61 22.291 1.298 -15.269 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.917 -0.139 -14.858 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.262 1.871 -16.253 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.771 -0.140 -13.846 1.00 0.00 C ATOM 0 H ILE A 61 24.146 -0.532 -16.416 1.00 0.00 H new ATOM 0 HA ILE A 61 23.794 2.377 -16.395 1.00 0.00 H new ATOM 0 HB ILE A 61 22.279 1.875 -14.344 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.628 -0.710 -15.741 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.787 -0.636 -14.428 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.261 1.765 -15.835 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.473 2.926 -16.427 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.320 1.329 -17.197 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.527 -1.167 -13.573 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.072 0.411 -12.955 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.895 0.336 -14.288 1.00 0.00 H new ATOM 934 N PHE A 62 25.395 0.403 -14.365 1.00 0.00 N ATOM 935 CA PHE A 62 26.456 0.383 -13.359 1.00 0.00 C ATOM 936 C PHE A 62 27.475 -0.717 -13.666 1.00 0.00 C ATOM 937 O PHE A 62 27.129 -1.780 -14.186 1.00 0.00 O ATOM 938 CB PHE A 62 25.844 0.251 -11.951 1.00 0.00 C ATOM 939 CG PHE A 62 26.868 0.009 -10.851 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.731 1.054 -10.474 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.026 -1.266 -10.268 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.753 0.824 -9.537 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.060 -1.500 -9.339 1.00 0.00 C ATOM 944 CZ PHE A 62 28.918 -0.451 -8.972 1.00 0.00 C ATOM 0 H PHE A 62 25.209 -0.508 -14.784 1.00 0.00 H new ATOM 0 HA PHE A 62 27.001 1.326 -13.389 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.287 1.160 -11.721 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.127 -0.570 -11.953 1.00 0.00 H new ATOM 0 HD1 PHE A 62 27.608 2.036 -10.906 1.00 0.00 H new ATOM 0 HD2 PHE A 62 26.352 -2.066 -10.535 1.00 0.00 H new ATOM 0 HE1 PHE A 62 29.413 1.630 -9.251 1.00 0.00 H new ATOM 0 HE2 PHE A 62 28.192 -2.483 -8.911 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.706 -0.625 -8.254 1.00 0.00 H new ATOM 954 N GLN A 63 28.738 -0.452 -13.342 1.00 0.00 N ATOM 955 CA GLN A 63 29.831 -1.416 -13.465 1.00 0.00 C ATOM 956 C GLN A 63 30.982 -1.108 -12.493 1.00 0.00 C ATOM 957 O GLN A 63 31.260 0.054 -12.192 1.00 0.00 O ATOM 958 CB GLN A 63 30.303 -1.504 -14.929 1.00 0.00 C ATOM 959 CG GLN A 63 30.806 -0.190 -15.547 1.00 0.00 C ATOM 960 CD GLN A 63 31.132 -0.355 -17.031 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.529 0.259 -17.901 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.089 -1.189 -17.384 1.00 0.00 N ATOM 0 H GLN A 63 29.037 0.454 -12.980 1.00 0.00 H new ATOM 0 HA GLN A 63 29.455 -2.398 -13.179 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.103 -2.242 -14.990 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.478 -1.877 -15.536 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.048 0.584 -15.424 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.695 0.147 -15.014 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.601 -1.709 -16.671 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.318 -1.315 -18.370 1.00 0.00 H new ATOM 971 N THR A 64 31.653 -2.152 -12.004 1.00 0.00 N ATOM 972 CA THR A 64 32.750 -2.068 -11.021 1.00 0.00 C ATOM 973 C THR A 64 33.693 -3.274 -11.114 1.00 0.00 C ATOM 974 O THR A 64 33.345 -4.296 -11.706 1.00 0.00 O ATOM 975 CB THR A 64 32.171 -1.923 -9.604 1.00 0.00 C ATOM 976 OG1 THR A 64 33.208 -1.643 -8.690 1.00 0.00 O ATOM 977 CG2 THR A 64 31.412 -3.163 -9.120 1.00 0.00 C ATOM 0 H THR A 64 31.447 -3.111 -12.285 1.00 0.00 H new ATOM 0 HA THR A 64 33.346 -1.185 -11.251 1.00 0.00 H new ATOM 0 HB THR A 64 31.454 -1.103 -9.653 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.834 -1.550 -7.789 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.032 -2.987 -8.113 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.578 -3.365 -9.792 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.085 -4.020 -9.109 1.00 0.00 H new ATOM 985 N PHE A 65 34.887 -3.176 -10.529 1.00 0.00 N ATOM 986 CA PHE A 65 35.873 -4.257 -10.500 1.00 0.00 C ATOM 987 C PHE A 65 35.783 -5.059 -9.186 1.00 0.00 C ATOM 988 O PHE A 65 35.758 -4.478 -8.097 1.00 0.00 O ATOM 989 CB PHE A 65 37.275 -3.675 -10.743 1.00 0.00 C ATOM 990 CG PHE A 65 38.169 -4.583 -11.564 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.653 -5.785 -11.019 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.488 -4.244 -12.892 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.413 -6.663 -11.809 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.275 -5.109 -13.673 1.00 0.00 C ATOM 995 CZ PHE A 65 39.723 -6.327 -13.139 1.00 0.00 C ATOM 0 H PHE A 65 35.201 -2.330 -10.054 1.00 0.00 H new ATOM 0 HA PHE A 65 35.660 -4.966 -11.300 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.179 -2.716 -11.251 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.751 -3.480 -9.782 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.440 -6.034 -9.990 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.127 -3.317 -13.313 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.760 -7.598 -11.394 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.535 -4.836 -14.685 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.304 -7.004 -13.747 1.00 0.00 H new ATOM 1005 N LEU A 66 35.749 -6.391 -9.281 1.00 0.00 N ATOM 1006 CA LEU A 66 35.838 -7.324 -8.154 1.00 0.00 C ATOM 1007 C LEU A 66 37.222 -7.984 -8.042 1.00 0.00 C ATOM 1008 O LEU A 66 37.847 -8.334 -9.046 1.00 0.00 O ATOM 1009 CB LEU A 66 34.754 -8.406 -8.267 1.00 0.00 C ATOM 1010 CG LEU A 66 33.374 -8.062 -7.703 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.514 -9.314 -7.847 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.394 -7.724 -6.210 1.00 0.00 C ATOM 0 H LEU A 66 35.655 -6.867 -10.178 1.00 0.00 H new ATOM 0 HA LEU A 66 35.681 -6.739 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.637 -8.660 -9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.114 -9.302 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 66 33.003 -7.191 -8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.516 -9.117 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.444 -9.588 -8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 66 32.967 -10.133 -7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.383 -7.490 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.773 -8.578 -5.649 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.040 -6.863 -6.041 1.00 0.00 H new ATOM 1024 N PHE A 67 37.647 -8.229 -6.798 1.00 0.00 N ATOM 1025 CA PHE A 67 38.958 -8.812 -6.462 1.00 0.00 C ATOM 1026 C PHE A 67 38.810 -10.063 -5.562 1.00 0.00 C ATOM 1027 O PHE A 67 38.110 -9.997 -4.550 1.00 0.00 O ATOM 1028 CB PHE A 67 39.827 -7.737 -5.787 1.00 0.00 C ATOM 1029 CG PHE A 67 39.870 -6.401 -6.510 1.00 0.00 C ATOM 1030 CD1 PHE A 67 39.088 -5.325 -6.048 1.00 0.00 C ATOM 1031 CD2 PHE A 67 40.669 -6.242 -7.657 1.00 0.00 C ATOM 1032 CE1 PHE A 67 39.105 -4.095 -6.730 1.00 0.00 C ATOM 1033 CE2 PHE A 67 40.690 -5.009 -8.337 1.00 0.00 C ATOM 1034 CZ PHE A 67 39.907 -3.937 -7.874 1.00 0.00 C ATOM 0 H PHE A 67 37.079 -8.024 -5.976 1.00 0.00 H new ATOM 0 HA PHE A 67 39.445 -9.144 -7.379 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.456 -7.574 -4.775 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.844 -8.117 -5.696 1.00 0.00 H new ATOM 0 HD1 PHE A 67 38.474 -5.444 -5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 67 41.267 -7.066 -8.016 1.00 0.00 H new ATOM 0 HE1 PHE A 67 38.502 -3.272 -6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 67 41.308 -4.887 -9.214 1.00 0.00 H new ATOM 0 HZ PHE A 67 39.922 -2.992 -8.397 1.00 0.00 H new ATOM 1044 N PRO A 68 39.457 -11.203 -5.891 1.00 0.00 N ATOM 1045 CA PRO A 68 39.275 -12.480 -5.184 1.00 0.00 C ATOM 1046 C PRO A 68 40.063 -12.592 -3.865 1.00 0.00 C ATOM 1047 O PRO A 68 39.614 -13.266 -2.937 1.00 0.00 O ATOM 1048 CB PRO A 68 39.716 -13.547 -6.194 1.00 0.00 C ATOM 1049 CG PRO A 68 40.789 -12.823 -7.004 1.00 0.00 C ATOM 1050 CD PRO A 68 40.243 -11.410 -7.099 1.00 0.00 C ATOM 0 HA PRO A 68 38.238 -12.592 -4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.112 -14.433 -5.699 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.888 -13.876 -6.822 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.758 -12.849 -6.506 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.924 -13.271 -7.988 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.052 -10.683 -7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.628 -11.288 -7.991 1.00 0.00 H new ATOM 1058 N LEU A 69 41.229 -11.930 -3.762 1.00 0.00 N ATOM 1059 CA LEU A 69 42.089 -11.944 -2.562 1.00 0.00 C ATOM 1060 C LEU A 69 41.673 -10.892 -1.512 1.00 0.00 C ATOM 1061 O LEU A 69 42.136 -10.944 -0.369 1.00 0.00 O ATOM 1062 CB LEU A 69 43.566 -11.752 -2.983 1.00 0.00 C ATOM 1063 CG LEU A 69 44.317 -13.056 -3.324 1.00 0.00 C ATOM 1064 CD1 LEU A 69 43.778 -13.770 -4.564 1.00 0.00 C ATOM 1065 CD2 LEU A 69 45.795 -12.747 -3.570 1.00 0.00 C ATOM 0 H LEU A 69 41.607 -11.362 -4.520 1.00 0.00 H new ATOM 0 HA LEU A 69 41.967 -12.914 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.599 -11.093 -3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 69 44.096 -11.244 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 69 44.173 -13.717 -2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 69 44.355 -14.678 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 69 42.731 -14.030 -4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 69 43.863 -13.112 -5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 69 46.324 -13.669 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 69 45.887 -12.048 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 69 46.228 -12.304 -2.673 1.00 0.00 H new ATOM 1077 N LYS A 70 40.820 -9.933 -1.897 1.00 0.00 N ATOM 1078 CA LYS A 70 40.421 -8.764 -1.086 1.00 0.00 C ATOM 1079 C LYS A 70 39.057 -8.980 -0.404 1.00 0.00 C ATOM 1080 O LYS A 70 38.176 -9.640 -0.956 1.00 0.00 O ATOM 1081 CB LYS A 70 40.467 -7.519 -1.994 1.00 0.00 C ATOM 1082 CG LYS A 70 40.680 -6.189 -1.252 1.00 0.00 C ATOM 1083 CD LYS A 70 40.953 -5.071 -2.276 1.00 0.00 C ATOM 1084 CE LYS A 70 41.239 -3.692 -1.658 1.00 0.00 C ATOM 1085 NZ LYS A 70 40.052 -3.118 -0.965 1.00 0.00 N ATOM 0 H LYS A 70 40.371 -9.946 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 70 41.117 -8.617 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 70 41.269 -7.646 -2.721 1.00 0.00 H new ATOM 0 HB3 LYS A 70 39.534 -7.461 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 70 39.799 -5.946 -0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 70 41.517 -6.276 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 70 41.803 -5.361 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 70 40.092 -4.986 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 70 42.062 -3.779 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 70 41.564 -3.007 -2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 40.016 -2.092 -1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 39.186 -3.560 -1.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 40.124 -3.301 0.056 1.00 0.00 H new ATOM 1099 N ARG A 71 38.865 -8.393 0.787 1.00 0.00 N ATOM 1100 CA ARG A 71 37.681 -8.607 1.660 1.00 0.00 C ATOM 1101 C ARG A 71 36.513 -7.631 1.449 1.00 0.00 C ATOM 1102 O ARG A 71 35.630 -7.524 2.298 1.00 0.00 O ATOM 1103 CB ARG A 71 38.134 -8.766 3.128 1.00 0.00 C ATOM 1104 CG ARG A 71 38.605 -7.460 3.797 1.00 0.00 C ATOM 1105 CD ARG A 71 39.213 -7.691 5.188 1.00 0.00 C ATOM 1106 NE ARG A 71 38.239 -8.252 6.152 1.00 0.00 N ATOM 1107 CZ ARG A 71 38.252 -8.117 7.469 1.00 0.00 C ATOM 1108 NH1 ARG A 71 39.162 -7.417 8.088 1.00 0.00 N ATOM 1109 NH2 ARG A 71 37.337 -8.687 8.200 1.00 0.00 N ATOM 0 H ARG A 71 39.539 -7.740 1.187 1.00 0.00 H new ATOM 0 HA ARG A 71 37.223 -9.545 1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 71 37.308 -9.178 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 71 38.945 -9.493 3.168 1.00 0.00 H new ATOM 0 HG2 ARG A 71 39.344 -6.976 3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 71 37.761 -6.776 3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 71 40.063 -8.368 5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.597 -6.746 5.574 1.00 0.00 H new ATOM 0 HE ARG A 71 37.475 -8.802 5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 71 39.896 -6.951 7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 71 39.139 -7.336 9.105 1.00 0.00 H new ATOM 0 HH21 ARG A 71 36.604 -9.242 7.758 1.00 0.00 H new ATOM 0 HH22 ARG A 71 37.354 -8.578 9.214 1.00 0.00 H new ATOM 1123 N ASP A 72 36.503 -6.908 0.329 1.00 0.00 N ATOM 1124 CA ASP A 72 35.483 -5.899 -0.005 1.00 0.00 C ATOM 1125 C ASP A 72 34.316 -6.406 -0.874 1.00 0.00 C ATOM 1126 O ASP A 72 33.338 -5.679 -1.033 1.00 0.00 O ATOM 1127 CB ASP A 72 36.141 -4.623 -0.560 1.00 0.00 C ATOM 1128 CG ASP A 72 36.893 -4.772 -1.897 1.00 0.00 C ATOM 1129 OD1 ASP A 72 37.688 -3.851 -2.203 1.00 0.00 O ATOM 1130 OD2 ASP A 72 36.740 -5.791 -2.609 1.00 0.00 O ATOM 0 H ASP A 72 37.218 -7.006 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 72 34.994 -5.649 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.368 -3.865 -0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 72 36.840 -4.246 0.186 1.00 0.00 H new ATOM 1135 N PHE A 73 34.350 -7.659 -1.353 1.00 0.00 N ATOM 1136 CA PHE A 73 33.306 -8.265 -2.205 1.00 0.00 C ATOM 1137 C PHE A 73 31.885 -8.063 -1.656 1.00 0.00 C ATOM 1138 O PHE A 73 31.000 -7.624 -2.386 1.00 0.00 O ATOM 1139 CB PHE A 73 33.640 -9.759 -2.409 1.00 0.00 C ATOM 1140 CG PHE A 73 32.504 -10.616 -2.947 1.00 0.00 C ATOM 1141 CD1 PHE A 73 32.432 -10.923 -4.320 1.00 0.00 C ATOM 1142 CD2 PHE A 73 31.513 -11.111 -2.073 1.00 0.00 C ATOM 1143 CE1 PHE A 73 31.355 -11.674 -4.825 1.00 0.00 C ATOM 1144 CE2 PHE A 73 30.430 -11.850 -2.577 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.347 -12.118 -3.951 1.00 0.00 C ATOM 0 H PHE A 73 35.121 -8.297 -1.156 1.00 0.00 H new ATOM 0 HA PHE A 73 33.308 -7.754 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.485 -9.834 -3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.965 -10.174 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 73 33.208 -10.580 -4.988 1.00 0.00 H new ATOM 0 HD2 PHE A 73 31.587 -10.921 -1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 73 31.303 -11.908 -5.878 1.00 0.00 H new ATOM 0 HE2 PHE A 73 29.663 -12.211 -1.908 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.504 -12.669 -4.340 1.00 0.00 H new ATOM 1155 N GLU A 74 31.666 -8.311 -0.358 1.00 0.00 N ATOM 1156 CA GLU A 74 30.336 -8.189 0.265 1.00 0.00 C ATOM 1157 C GLU A 74 29.816 -6.747 0.203 1.00 0.00 C ATOM 1158 O GLU A 74 28.657 -6.493 -0.126 1.00 0.00 O ATOM 1159 CB GLU A 74 30.435 -8.653 1.724 1.00 0.00 C ATOM 1160 CG GLU A 74 29.061 -8.976 2.321 1.00 0.00 C ATOM 1161 CD GLU A 74 29.197 -9.443 3.784 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.086 -10.667 4.048 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.415 -8.592 4.679 1.00 0.00 O ATOM 0 H GLU A 74 32.400 -8.600 0.289 1.00 0.00 H new ATOM 0 HA GLU A 74 29.630 -8.813 -0.283 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.071 -9.536 1.781 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.915 -7.876 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.422 -8.094 2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.576 -9.753 1.730 1.00 0.00 H new ATOM 1170 N LYS A 75 30.712 -5.789 0.450 1.00 0.00 N ATOM 1171 CA LYS A 75 30.404 -4.356 0.431 1.00 0.00 C ATOM 1172 C LYS A 75 30.156 -3.877 -0.999 1.00 0.00 C ATOM 1173 O LYS A 75 29.168 -3.191 -1.240 1.00 0.00 O ATOM 1174 CB LYS A 75 31.501 -3.554 1.159 1.00 0.00 C ATOM 1175 CG LYS A 75 31.687 -4.012 2.622 1.00 0.00 C ATOM 1176 CD LYS A 75 32.882 -4.965 2.813 1.00 0.00 C ATOM 1177 CE LYS A 75 32.741 -5.768 4.115 1.00 0.00 C ATOM 1178 NZ LYS A 75 34.004 -6.483 4.466 1.00 0.00 N ATOM 0 H LYS A 75 31.687 -5.989 0.672 1.00 0.00 H new ATOM 0 HA LYS A 75 29.479 -4.181 0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.444 -3.663 0.623 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.246 -2.494 1.142 1.00 0.00 H new ATOM 0 HG2 LYS A 75 31.825 -3.136 3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 75 30.777 -4.509 2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 75 32.947 -5.647 1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 75 33.809 -4.392 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 75 32.466 -5.096 4.928 1.00 0.00 H new ATOM 0 HE3 LYS A 75 31.932 -6.490 4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.782 -7.309 5.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.478 -6.798 3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 34.633 -5.841 4.989 1.00 0.00 H new ATOM 1192 N THR A 76 30.950 -4.337 -1.968 1.00 0.00 N ATOM 1193 CA THR A 76 30.729 -4.106 -3.409 1.00 0.00 C ATOM 1194 C THR A 76 29.382 -4.666 -3.881 1.00 0.00 C ATOM 1195 O THR A 76 28.670 -3.980 -4.611 1.00 0.00 O ATOM 1196 CB THR A 76 31.894 -4.691 -4.229 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.074 -4.002 -3.866 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.728 -4.524 -5.742 1.00 0.00 C ATOM 0 H THR A 76 31.783 -4.893 -1.776 1.00 0.00 H new ATOM 0 HA THR A 76 30.696 -3.029 -3.571 1.00 0.00 H new ATOM 0 HB THR A 76 31.927 -5.759 -4.011 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.389 -4.329 -2.998 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.587 -4.960 -6.253 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.818 -5.029 -6.066 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.661 -3.464 -5.986 1.00 0.00 H new ATOM 1206 N VAL A 77 28.970 -5.853 -3.415 1.00 0.00 N ATOM 1207 CA VAL A 77 27.636 -6.422 -3.692 1.00 0.00 C ATOM 1208 C VAL A 77 26.539 -5.511 -3.141 1.00 0.00 C ATOM 1209 O VAL A 77 25.672 -5.094 -3.902 1.00 0.00 O ATOM 1210 CB VAL A 77 27.498 -7.859 -3.139 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.043 -8.347 -3.112 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.289 -8.854 -3.994 1.00 0.00 C ATOM 0 H VAL A 77 29.554 -6.452 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 77 27.521 -6.484 -4.774 1.00 0.00 H new ATOM 0 HB VAL A 77 27.886 -7.816 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 77 26.007 -9.361 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.450 -7.688 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.638 -8.339 -4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.175 -9.857 -3.584 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.912 -8.835 -5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.344 -8.578 -3.991 1.00 0.00 H new ATOM 1222 N VAL A 78 26.590 -5.149 -1.853 1.00 0.00 N ATOM 1223 CA VAL A 78 25.557 -4.306 -1.213 1.00 0.00 C ATOM 1224 C VAL A 78 25.491 -2.919 -1.860 1.00 0.00 C ATOM 1225 O VAL A 78 24.409 -2.391 -2.106 1.00 0.00 O ATOM 1226 CB VAL A 78 25.803 -4.206 0.308 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.874 -3.203 1.006 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.567 -5.568 0.969 1.00 0.00 C ATOM 0 H VAL A 78 27.342 -5.428 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 78 24.589 -4.782 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 78 26.834 -3.869 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.098 -3.181 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.026 -2.210 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.837 -3.505 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.743 -5.487 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.539 -5.885 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.251 -6.302 0.543 1.00 0.00 H new ATOM 1238 N ALA A 79 26.642 -2.353 -2.220 1.00 0.00 N ATOM 1239 CA ALA A 79 26.735 -1.043 -2.849 1.00 0.00 C ATOM 1240 C ALA A 79 26.210 -1.054 -4.292 1.00 0.00 C ATOM 1241 O ALA A 79 25.646 -0.063 -4.752 1.00 0.00 O ATOM 1242 CB ALA A 79 28.200 -0.609 -2.770 1.00 0.00 C ATOM 0 H ALA A 79 27.548 -2.801 -2.079 1.00 0.00 H new ATOM 0 HA ALA A 79 26.101 -0.327 -2.325 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.314 0.372 -3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.508 -0.556 -1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.823 -1.333 -3.296 1.00 0.00 H new ATOM 1248 N ALA A 80 26.351 -2.162 -5.025 1.00 0.00 N ATOM 1249 CA ALA A 80 25.794 -2.300 -6.370 1.00 0.00 C ATOM 1250 C ALA A 80 24.259 -2.274 -6.370 1.00 0.00 C ATOM 1251 O ALA A 80 23.668 -1.813 -7.341 1.00 0.00 O ATOM 1252 CB ALA A 80 26.326 -3.596 -6.989 1.00 0.00 C ATOM 0 H ALA A 80 26.855 -2.988 -4.701 1.00 0.00 H new ATOM 0 HA ALA A 80 26.110 -1.446 -6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.919 -3.713 -7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.414 -3.555 -7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.024 -4.444 -6.374 1.00 0.00 H new ATOM 1258 N LEU A 81 23.605 -2.681 -5.275 1.00 0.00 N ATOM 1259 CA LEU A 81 22.136 -2.647 -5.151 1.00 0.00 C ATOM 1260 C LEU A 81 21.631 -1.194 -5.236 1.00 0.00 C ATOM 1261 O LEU A 81 20.754 -0.868 -6.032 1.00 0.00 O ATOM 1262 CB LEU A 81 21.680 -3.282 -3.818 1.00 0.00 C ATOM 1263 CG LEU A 81 22.271 -4.651 -3.448 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.871 -5.026 -2.026 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.832 -5.781 -4.373 1.00 0.00 C ATOM 0 H LEU A 81 24.077 -3.044 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 81 21.712 -3.225 -5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.917 -2.585 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.595 -3.380 -3.846 1.00 0.00 H new ATOM 0 HG LEU A 81 23.351 -4.540 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.295 -5.998 -1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.247 -4.274 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.784 -5.074 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.290 -6.715 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.747 -5.878 -4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.145 -5.559 -5.393 1.00 0.00 H new ATOM 1277 N ILE A 82 22.265 -0.308 -4.458 1.00 0.00 N ATOM 1278 CA ILE A 82 21.952 1.130 -4.410 1.00 0.00 C ATOM 1279 C ILE A 82 22.347 1.796 -5.735 1.00 0.00 C ATOM 1280 O ILE A 82 21.551 2.508 -6.341 1.00 0.00 O ATOM 1281 CB ILE A 82 22.645 1.794 -3.192 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.208 1.118 -1.867 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.331 3.302 -3.153 1.00 0.00 C ATOM 1284 CD1 ILE A 82 22.974 1.601 -0.626 1.00 0.00 C ATOM 0 H ILE A 82 23.025 -0.573 -3.831 1.00 0.00 H new ATOM 0 HA ILE A 82 20.878 1.264 -4.281 1.00 0.00 H new ATOM 0 HB ILE A 82 23.721 1.662 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.144 1.298 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.338 0.040 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.824 3.754 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.692 3.773 -4.067 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.254 3.447 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.605 1.077 0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.037 1.396 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.824 2.673 -0.500 1.00 0.00 H new ATOM 1296 N GLN A 83 23.552 1.522 -6.241 1.00 0.00 N ATOM 1297 CA GLN A 83 24.062 2.155 -7.467 1.00 0.00 C ATOM 1298 C GLN A 83 23.293 1.725 -8.729 1.00 0.00 C ATOM 1299 O GLN A 83 23.198 2.493 -9.686 1.00 0.00 O ATOM 1300 CB GLN A 83 25.565 1.866 -7.601 1.00 0.00 C ATOM 1301 CG GLN A 83 26.363 2.600 -6.511 1.00 0.00 C ATOM 1302 CD GLN A 83 27.829 2.185 -6.479 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.118 1.000 -5.986 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.727 2.916 -6.877 1.00 0.00 N flip ATOM 0 H GLN A 83 24.201 0.859 -5.817 1.00 0.00 H new ATOM 0 HA GLN A 83 23.904 3.230 -7.379 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.741 0.793 -7.526 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.913 2.179 -8.585 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.297 3.675 -6.679 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.911 2.401 -5.539 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.505 3.835 -7.260 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.697 2.606 -6.826 1.00 0.00 H new ATOM 1313 N THR A 84 22.673 0.539 -8.710 1.00 0.00 N ATOM 1314 CA THR A 84 21.739 0.090 -9.754 1.00 0.00 C ATOM 1315 C THR A 84 20.490 0.969 -9.788 1.00 0.00 C ATOM 1316 O THR A 84 20.117 1.448 -10.857 1.00 0.00 O ATOM 1317 CB THR A 84 21.350 -1.380 -9.544 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.488 -2.188 -9.720 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.334 -1.895 -10.549 1.00 0.00 C ATOM 0 H THR A 84 22.806 -0.143 -7.964 1.00 0.00 H new ATOM 0 HA THR A 84 22.247 0.180 -10.714 1.00 0.00 H new ATOM 0 HB THR A 84 20.923 -1.428 -8.542 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.137 -1.998 -9.011 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.109 -2.940 -10.336 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.420 -1.305 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.743 -1.810 -11.556 1.00 0.00 H new ATOM 1327 N GLU A 85 19.851 1.248 -8.645 1.00 0.00 N ATOM 1328 CA GLU A 85 18.665 2.113 -8.654 1.00 0.00 C ATOM 1329 C GLU A 85 19.025 3.589 -8.861 1.00 0.00 C ATOM 1330 O GLU A 85 18.253 4.314 -9.480 1.00 0.00 O ATOM 1331 CB GLU A 85 17.772 1.901 -7.422 1.00 0.00 C ATOM 1332 CG GLU A 85 18.363 2.360 -6.084 1.00 0.00 C ATOM 1333 CD GLU A 85 17.248 2.617 -5.051 1.00 0.00 C ATOM 1334 OE1 GLU A 85 16.586 3.682 -5.137 1.00 0.00 O ATOM 1335 OE2 GLU A 85 17.040 1.773 -4.146 1.00 0.00 O ATOM 0 H GLU A 85 20.125 0.899 -7.727 1.00 0.00 H new ATOM 0 HA GLU A 85 18.073 1.811 -9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.832 2.429 -7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.533 0.840 -7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.048 1.602 -5.705 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.945 3.270 -6.232 1.00 0.00 H new ATOM 1342 N GLU A 86 20.190 4.061 -8.415 1.00 0.00 N ATOM 1343 CA GLU A 86 20.609 5.467 -8.566 1.00 0.00 C ATOM 1344 C GLU A 86 20.723 5.916 -10.030 1.00 0.00 C ATOM 1345 O GLU A 86 20.460 7.078 -10.336 1.00 0.00 O ATOM 1346 CB GLU A 86 21.932 5.703 -7.827 1.00 0.00 C ATOM 1347 CG GLU A 86 21.716 5.776 -6.313 1.00 0.00 C ATOM 1348 CD GLU A 86 21.309 7.195 -5.869 1.00 0.00 C ATOM 1349 OE1 GLU A 86 22.180 7.954 -5.377 1.00 0.00 O ATOM 1350 OE2 GLU A 86 20.119 7.565 -6.017 1.00 0.00 O ATOM 0 H GLU A 86 20.878 3.480 -7.935 1.00 0.00 H new ATOM 0 HA GLU A 86 19.823 6.078 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.630 4.898 -8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.387 6.630 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 86 20.943 5.066 -6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.631 5.481 -5.799 1.00 0.00 H new ATOM 1357 N ALA A 87 21.009 4.986 -10.950 1.00 0.00 N ATOM 1358 CA ALA A 87 20.918 5.232 -12.389 1.00 0.00 C ATOM 1359 C ALA A 87 19.471 5.501 -12.835 1.00 0.00 C ATOM 1360 O ALA A 87 19.210 6.414 -13.611 1.00 0.00 O ATOM 1361 CB ALA A 87 21.479 4.006 -13.116 1.00 0.00 C ATOM 0 H ALA A 87 21.310 4.041 -10.714 1.00 0.00 H new ATOM 0 HA ALA A 87 21.494 6.124 -12.635 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.423 4.164 -14.193 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.519 3.855 -12.825 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.896 3.125 -12.848 1.00 0.00 H new ATOM 1367 N LEU A 88 18.512 4.715 -12.329 1.00 0.00 N ATOM 1368 CA LEU A 88 17.101 4.748 -12.739 1.00 0.00 C ATOM 1369 C LEU A 88 16.308 5.842 -12.007 1.00 0.00 C ATOM 1370 O LEU A 88 15.288 6.310 -12.515 1.00 0.00 O ATOM 1371 CB LEU A 88 16.482 3.353 -12.531 1.00 0.00 C ATOM 1372 CG LEU A 88 17.250 2.152 -13.114 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.437 0.895 -12.877 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.489 2.287 -14.613 1.00 0.00 C ATOM 0 H LEU A 88 18.700 4.021 -11.605 1.00 0.00 H new ATOM 0 HA LEU A 88 17.051 5.005 -13.797 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.364 3.191 -11.460 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.482 3.358 -12.965 1.00 0.00 H new ATOM 0 HG LEU A 88 18.220 2.109 -12.618 1.00 0.00 H new ATOM 0 HD11 LEU A 88 16.969 0.035 -13.285 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.288 0.755 -11.806 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.469 0.990 -13.369 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.034 1.415 -14.975 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.532 2.356 -15.129 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.073 3.186 -14.809 1.00 0.00 H new ATOM 1386 N ASN A 89 16.815 6.302 -10.863 1.00 0.00 N ATOM 1387 CA ASN A 89 16.265 7.375 -10.026 1.00 0.00 C ATOM 1388 C ASN A 89 16.178 8.737 -10.739 1.00 0.00 C ATOM 1389 O ASN A 89 15.297 9.531 -10.424 1.00 0.00 O ATOM 1390 CB ASN A 89 17.088 7.438 -8.722 1.00 0.00 C ATOM 1391 CG ASN A 89 16.458 6.693 -7.562 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.568 7.169 -6.879 1.00 0.00 O ATOM 1393 ND2 ASN A 89 16.921 5.503 -7.309 1.00 0.00 N ATOM 0 H ASN A 89 17.672 5.914 -10.470 1.00 0.00 H new ATOM 0 HA ASN A 89 15.226 7.138 -9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.080 7.027 -8.910 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.224 8.482 -8.440 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.539 4.961 -6.534 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.666 5.112 -7.886 1.00 0.00 H new ATOM 1400 N ARG A 90 17.025 8.980 -11.750 1.00 0.00 N ATOM 1401 CA ARG A 90 16.972 10.160 -12.647 1.00 0.00 C ATOM 1402 C ARG A 90 16.347 9.873 -14.031 1.00 0.00 C ATOM 1403 O ARG A 90 16.043 10.806 -14.771 1.00 0.00 O ATOM 1404 CB ARG A 90 18.393 10.755 -12.702 1.00 0.00 C ATOM 1405 CG ARG A 90 18.467 12.153 -13.340 1.00 0.00 C ATOM 1406 CD ARG A 90 19.849 12.779 -13.125 1.00 0.00 C ATOM 1407 NE ARG A 90 19.958 14.088 -13.804 1.00 0.00 N ATOM 1408 CZ ARG A 90 19.664 15.282 -13.316 1.00 0.00 C ATOM 1409 NH1 ARG A 90 19.212 15.453 -12.104 1.00 0.00 N ATOM 1410 NH2 ARG A 90 19.821 16.345 -14.052 1.00 0.00 N ATOM 0 H ARG A 90 17.791 8.346 -11.979 1.00 0.00 H new ATOM 0 HA ARG A 90 16.284 10.901 -12.241 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.792 10.809 -11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.037 10.077 -13.263 1.00 0.00 H new ATOM 0 HG2 ARG A 90 18.258 12.082 -14.407 1.00 0.00 H new ATOM 0 HG3 ARG A 90 17.701 12.796 -12.907 1.00 0.00 H new ATOM 0 HD2 ARG A 90 20.032 12.904 -12.058 1.00 0.00 H new ATOM 0 HD3 ARG A 90 20.618 12.106 -13.503 1.00 0.00 H new ATOM 0 HE ARG A 90 20.301 14.068 -14.764 1.00 0.00 H new ATOM 0 HH11 ARG A 90 19.073 14.648 -11.493 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.998 16.392 -11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 90 20.171 16.258 -15.006 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.594 17.265 -13.674 1.00 0.00 H new ATOM 1424 N ARG A 91 16.101 8.594 -14.364 1.00 0.00 N ATOM 1425 CA ARG A 91 15.523 8.148 -15.659 1.00 0.00 C ATOM 1426 C ARG A 91 13.995 8.083 -15.637 1.00 0.00 C ATOM 1427 O ARG A 91 13.332 8.687 -16.476 1.00 0.00 O ATOM 1428 CB ARG A 91 16.075 6.764 -16.058 1.00 0.00 C ATOM 1429 CG ARG A 91 17.558 6.750 -16.448 1.00 0.00 C ATOM 1430 CD ARG A 91 18.073 5.299 -16.557 1.00 0.00 C ATOM 1431 NE ARG A 91 18.690 5.038 -17.876 1.00 0.00 N ATOM 1432 CZ ARG A 91 18.143 4.508 -18.958 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.905 4.102 -18.996 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.847 4.375 -20.043 1.00 0.00 N ATOM 0 H ARG A 91 16.300 7.819 -13.732 1.00 0.00 H new ATOM 0 HA ARG A 91 15.819 8.897 -16.393 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.926 6.076 -15.226 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.490 6.383 -16.895 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.695 7.264 -17.400 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.141 7.295 -15.705 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.803 5.111 -15.770 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.247 4.606 -16.398 1.00 0.00 H new ATOM 0 HE ARG A 91 19.671 5.303 -17.963 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.315 4.187 -18.168 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.526 3.699 -19.853 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.820 4.679 -20.060 1.00 0.00 H new ATOM 0 HH22 ARG A 91 18.426 3.966 -20.877 1.00 0.00 H new ATOM 1448 N GLN A 92 13.460 7.296 -14.694 1.00 0.00 N ATOM 1449 CA GLN A 92 12.042 6.887 -14.671 1.00 0.00 C ATOM 1450 C GLN A 92 11.405 6.877 -13.277 1.00 0.00 C ATOM 1451 O GLN A 92 10.258 7.291 -13.126 1.00 0.00 O ATOM 1452 CB GLN A 92 11.884 5.516 -15.355 1.00 0.00 C ATOM 1453 CG GLN A 92 12.825 4.397 -14.860 1.00 0.00 C ATOM 1454 CD GLN A 92 12.330 3.019 -15.295 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.805 2.432 -16.257 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.347 2.466 -14.613 1.00 0.00 N ATOM 0 H GLN A 92 14.002 6.920 -13.916 1.00 0.00 H new ATOM 0 HA GLN A 92 11.497 7.651 -15.225 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.855 5.183 -15.221 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.040 5.647 -16.426 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.829 4.565 -15.250 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.896 4.433 -13.773 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.947 2.951 -13.810 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.986 1.553 -14.888 1.00 0.00 H new ATOM 1465 N ILE A 93 12.160 6.488 -12.238 1.00 0.00 N ATOM 1466 CA ILE A 93 11.656 6.489 -10.844 1.00 0.00 C ATOM 1467 C ILE A 93 11.483 7.936 -10.339 1.00 0.00 C ATOM 1468 O ILE A 93 10.721 8.194 -9.415 1.00 0.00 O ATOM 1469 CB ILE A 93 12.531 5.616 -9.899 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.005 4.295 -10.557 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.737 5.306 -8.620 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.855 3.376 -9.663 1.00 0.00 C ATOM 0 H ILE A 93 13.124 6.167 -12.331 1.00 0.00 H new ATOM 0 HA ILE A 93 10.672 6.020 -10.837 1.00 0.00 H new ATOM 0 HB ILE A 93 13.429 6.188 -9.667 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.128 3.740 -10.888 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.582 4.541 -11.448 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.345 4.694 -7.954 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.475 6.238 -8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.827 4.765 -8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.133 2.482 -10.221 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.756 3.904 -9.351 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.279 3.091 -8.783 1.00 0.00 H new ATOM 1484 N ASN A 94 12.114 8.909 -11.007 1.00 0.00 N ATOM 1485 CA ASN A 94 12.035 10.337 -10.698 1.00 0.00 C ATOM 1486 C ASN A 94 10.586 10.857 -10.611 1.00 0.00 C ATOM 1487 O ASN A 94 10.248 11.581 -9.682 1.00 0.00 O ATOM 1488 CB ASN A 94 12.842 11.104 -11.768 1.00 0.00 C ATOM 1489 CG ASN A 94 13.420 12.395 -11.218 1.00 0.00 C ATOM 1490 OD1 ASN A 94 12.924 13.485 -11.463 1.00 0.00 O ATOM 1491 ND2 ASN A 94 14.494 12.290 -10.468 1.00 0.00 N ATOM 0 H ASN A 94 12.716 8.713 -11.807 1.00 0.00 H new ATOM 0 HA ASN A 94 12.459 10.503 -9.708 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.650 10.472 -12.137 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.198 11.327 -12.619 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.928 13.127 -10.079 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.893 11.372 -10.275 1.00 0.00 H new ATOM 1498 N GLN A 95 9.705 10.419 -11.520 1.00 0.00 N ATOM 1499 CA GLN A 95 8.281 10.794 -11.511 1.00 0.00 C ATOM 1500 C GLN A 95 7.512 10.137 -10.348 1.00 0.00 C ATOM 1501 O GLN A 95 6.635 10.759 -9.750 1.00 0.00 O ATOM 1502 CB GLN A 95 7.632 10.422 -12.856 1.00 0.00 C ATOM 1503 CG GLN A 95 8.243 11.181 -14.045 1.00 0.00 C ATOM 1504 CD GLN A 95 7.512 10.872 -15.350 1.00 0.00 C ATOM 1505 OE1 GLN A 95 6.650 11.610 -15.811 1.00 0.00 O ATOM 1506 NE2 GLN A 95 7.819 9.762 -15.988 1.00 0.00 N ATOM 0 H GLN A 95 9.958 9.793 -12.285 1.00 0.00 H new ATOM 0 HA GLN A 95 8.227 11.873 -11.364 1.00 0.00 H new ATOM 0 HB2 GLN A 95 7.740 9.350 -13.022 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.563 10.631 -12.808 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.204 12.253 -13.851 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.295 10.914 -14.145 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.535 9.140 -15.613 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.341 9.524 -16.857 1.00 0.00 H new ATOM 1515 N ALA A 96 7.872 8.898 -9.995 1.00 0.00 N ATOM 1516 CA ALA A 96 7.259 8.154 -8.892 1.00 0.00 C ATOM 1517 C ALA A 96 7.659 8.712 -7.511 1.00 0.00 C ATOM 1518 O ALA A 96 6.810 8.803 -6.622 1.00 0.00 O ATOM 1519 CB ALA A 96 7.632 6.672 -9.036 1.00 0.00 C ATOM 0 H ALA A 96 8.607 8.378 -10.474 1.00 0.00 H new ATOM 0 HA ALA A 96 6.176 8.267 -8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.183 6.103 -8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.262 6.295 -9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.716 6.564 -8.999 1.00 0.00 H new ATOM 1525 N LEU A 97 8.922 9.130 -7.338 1.00 0.00 N ATOM 1526 CA LEU A 97 9.420 9.716 -6.081 1.00 0.00 C ATOM 1527 C LEU A 97 9.086 11.210 -5.909 1.00 0.00 C ATOM 1528 O LEU A 97 8.985 11.697 -4.782 1.00 0.00 O ATOM 1529 CB LEU A 97 10.918 9.404 -5.922 1.00 0.00 C ATOM 1530 CG LEU A 97 11.879 10.119 -6.888 1.00 0.00 C ATOM 1531 CD1 LEU A 97 12.358 11.476 -6.371 1.00 0.00 C ATOM 1532 CD2 LEU A 97 13.128 9.271 -7.123 1.00 0.00 C ATOM 0 H LEU A 97 9.631 9.071 -8.069 1.00 0.00 H new ATOM 0 HA LEU A 97 8.881 9.241 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.211 9.655 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.056 8.329 -6.038 1.00 0.00 H new ATOM 0 HG LEU A 97 11.308 10.268 -7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 97 13.032 11.926 -7.100 1.00 0.00 H new ATOM 0 HD12 LEU A 97 11.500 12.131 -6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 97 12.884 11.340 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.797 9.791 -7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 97 13.638 9.104 -6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.841 8.312 -7.554 1.00 0.00 H new ATOM 1544 N LEU A 98 8.887 11.928 -7.021 1.00 0.00 N ATOM 1545 CA LEU A 98 8.404 13.318 -7.037 1.00 0.00 C ATOM 1546 C LEU A 98 6.998 13.465 -6.418 1.00 0.00 C ATOM 1547 O LEU A 98 6.727 14.488 -5.792 1.00 0.00 O ATOM 1548 CB LEU A 98 8.433 13.844 -8.488 1.00 0.00 C ATOM 1549 CG LEU A 98 7.871 15.263 -8.712 1.00 0.00 C ATOM 1550 CD1 LEU A 98 8.652 16.344 -7.961 1.00 0.00 C ATOM 1551 CD2 LEU A 98 7.934 15.602 -10.202 1.00 0.00 C ATOM 0 H LEU A 98 9.060 11.554 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 98 9.069 13.917 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.465 13.826 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.872 13.151 -9.114 1.00 0.00 H new ATOM 0 HG LEU A 98 6.849 15.254 -8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.207 17.319 -8.160 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.617 16.141 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.689 16.343 -8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.538 16.604 -10.364 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.969 15.562 -10.541 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.340 14.882 -10.764 1.00 0.00 H new ATOM 1563 N SER A 99 6.123 12.457 -6.567 1.00 0.00 N ATOM 1564 CA SER A 99 4.754 12.442 -6.015 1.00 0.00 C ATOM 1565 C SER A 99 3.933 13.691 -6.385 1.00 0.00 C ATOM 1566 O SER A 99 3.371 14.369 -5.528 1.00 0.00 O ATOM 1567 CB SER A 99 4.768 12.181 -4.498 1.00 0.00 C ATOM 1568 OG SER A 99 5.382 10.931 -4.205 1.00 0.00 O ATOM 0 H SER A 99 6.351 11.609 -7.086 1.00 0.00 H new ATOM 0 HA SER A 99 4.238 11.608 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.306 12.983 -3.992 1.00 0.00 H new ATOM 0 HB3 SER A 99 3.748 12.189 -4.114 1.00 0.00 H new ATOM 0 HG SER A 99 5.382 10.786 -3.236 1.00 0.00 H new ATOM 1574 N THR A 100 3.863 14.012 -7.683 1.00 0.00 N ATOM 1575 CA THR A 100 3.332 15.286 -8.218 1.00 0.00 C ATOM 1576 C THR A 100 1.877 15.592 -7.810 1.00 0.00 C ATOM 1577 O THR A 100 1.507 16.760 -7.684 1.00 0.00 O ATOM 1578 CB THR A 100 3.435 15.290 -9.756 1.00 0.00 C ATOM 1579 OG1 THR A 100 4.616 14.632 -10.178 1.00 0.00 O ATOM 1580 CG2 THR A 100 3.487 16.704 -10.339 1.00 0.00 C ATOM 0 H THR A 100 4.182 13.379 -8.416 1.00 0.00 H new ATOM 0 HA THR A 100 3.948 16.070 -7.776 1.00 0.00 H new ATOM 0 HB THR A 100 2.540 14.780 -10.112 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.664 14.642 -11.157 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.559 16.647 -11.425 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.582 17.245 -10.063 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.357 17.228 -9.944 1.00 0.00 H new ATOM 1588 N GLY A 101 1.054 14.561 -7.566 1.00 0.00 N ATOM 1589 CA GLY A 101 -0.330 14.688 -7.069 1.00 0.00 C ATOM 1590 C GLY A 101 -0.467 14.933 -5.554 1.00 0.00 C ATOM 1591 O GLY A 101 -1.582 15.040 -5.039 1.00 0.00 O ATOM 0 H GLY A 101 1.336 13.592 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.814 15.509 -7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.875 13.779 -7.324 1.00 0.00 H new ATOM 1595 N ASP A 102 0.655 15.007 -4.840 1.00 0.00 N ATOM 1596 CA ASP A 102 0.796 15.182 -3.387 1.00 0.00 C ATOM 1597 C ASP A 102 1.728 16.379 -3.079 1.00 0.00 C ATOM 1598 O ASP A 102 1.926 17.262 -3.923 1.00 0.00 O ATOM 1599 CB ASP A 102 1.313 13.852 -2.803 1.00 0.00 C ATOM 1600 CG ASP A 102 0.820 13.631 -1.363 1.00 0.00 C ATOM 1601 OD1 ASP A 102 1.457 14.153 -0.418 1.00 0.00 O ATOM 1602 OD2 ASP A 102 -0.217 12.950 -1.173 1.00 0.00 O ATOM 0 H ASP A 102 1.565 14.941 -5.295 1.00 0.00 H new ATOM 0 HA ASP A 102 -0.160 15.419 -2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.981 13.026 -3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.403 13.847 -2.819 1.00 0.00 H new ATOM 1607 N LEU A 103 2.318 16.430 -1.880 1.00 0.00 N ATOM 1608 CA LEU A 103 3.475 17.280 -1.601 1.00 0.00 C ATOM 1609 C LEU A 103 4.609 16.996 -2.597 1.00 0.00 C ATOM 1610 O LEU A 103 5.015 15.848 -2.798 1.00 0.00 O ATOM 1611 CB LEU A 103 3.941 17.065 -0.154 1.00 0.00 C ATOM 1612 CG LEU A 103 5.300 17.724 0.181 1.00 0.00 C ATOM 1613 CD1 LEU A 103 5.219 18.432 1.531 1.00 0.00 C ATOM 1614 CD2 LEU A 103 6.436 16.702 0.264 1.00 0.00 C ATOM 0 H LEU A 103 2.005 15.883 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 103 3.186 18.324 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.183 17.460 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.013 15.994 0.037 1.00 0.00 H new ATOM 0 HG LEU A 103 5.511 18.427 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.180 18.893 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.448 19.201 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.971 17.708 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.369 17.213 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.213 15.973 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.536 16.191 -0.693 1.00 0.00 H new ATOM 1626 N ALA A 104 5.138 18.082 -3.160 1.00 0.00 N ATOM 1627 CA ALA A 104 6.270 18.076 -4.077 1.00 0.00 C ATOM 1628 C ALA A 104 6.947 19.465 -4.105 1.00 0.00 C ATOM 1629 O ALA A 104 6.455 20.393 -4.754 1.00 0.00 O ATOM 1630 CB ALA A 104 5.754 17.650 -5.464 1.00 0.00 C ATOM 0 H ALA A 104 4.776 19.019 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 104 7.032 17.368 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.583 17.637 -6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.316 16.654 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.998 18.357 -5.804 1.00 0.00 H new ATOM 1636 N HIS A 105 8.054 19.622 -3.366 1.00 0.00 N ATOM 1637 CA HIS A 105 8.773 20.906 -3.235 1.00 0.00 C ATOM 1638 C HIS A 105 10.305 20.769 -3.171 1.00 0.00 C ATOM 1639 O HIS A 105 11.003 21.402 -3.965 1.00 0.00 O ATOM 1640 CB HIS A 105 8.229 21.653 -2.005 1.00 0.00 C ATOM 1641 CG HIS A 105 8.829 23.026 -1.817 1.00 0.00 C ATOM 1642 ND1 HIS A 105 9.697 23.404 -0.788 1.00 0.00 N ATOM 1643 CD2 HIS A 105 8.610 24.103 -2.628 1.00 0.00 C ATOM 1644 CE1 HIS A 105 9.987 24.699 -1.007 1.00 0.00 C ATOM 1645 NE2 HIS A 105 9.346 25.144 -2.103 1.00 0.00 N ATOM 0 H HIS A 105 8.481 18.861 -2.838 1.00 0.00 H new ATOM 0 HA HIS A 105 8.586 21.477 -4.144 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.147 21.748 -2.097 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.422 21.056 -1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 105 7.984 24.133 -3.507 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.642 25.297 -0.390 1.00 0.00 H new ATOM 0 HE2 HIS A 105 9.396 26.090 -2.481 1.00 0.00 H new ATOM 1653 N ASP A 106 10.832 19.939 -2.261 1.00 0.00 N ATOM 1654 CA ASP A 106 12.278 19.817 -1.989 1.00 0.00 C ATOM 1655 C ASP A 106 12.705 18.355 -1.707 1.00 0.00 C ATOM 1656 O ASP A 106 13.547 18.075 -0.850 1.00 0.00 O ATOM 1657 CB ASP A 106 12.649 20.793 -0.857 1.00 0.00 C ATOM 1658 CG ASP A 106 14.168 20.962 -0.661 1.00 0.00 C ATOM 1659 OD1 ASP A 106 14.632 20.978 0.507 1.00 0.00 O ATOM 1660 OD2 ASP A 106 14.904 21.146 -1.662 1.00 0.00 O ATOM 0 H ASP A 106 10.261 19.323 -1.683 1.00 0.00 H new ATOM 0 HA ASP A 106 12.841 20.094 -2.880 1.00 0.00 H new ATOM 0 HB2 ASP A 106 12.208 21.767 -1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 106 12.208 20.440 0.075 1.00 0.00 H new ATOM 1665 N GLU A 107 12.081 17.397 -2.403 1.00 0.00 N ATOM 1666 CA GLU A 107 12.273 15.956 -2.158 1.00 0.00 C ATOM 1667 C GLU A 107 13.629 15.412 -2.656 1.00 0.00 C ATOM 1668 O GLU A 107 14.144 14.439 -2.094 1.00 0.00 O ATOM 1669 CB GLU A 107 11.114 15.168 -2.790 1.00 0.00 C ATOM 1670 CG GLU A 107 9.768 15.383 -2.079 1.00 0.00 C ATOM 1671 CD GLU A 107 9.789 14.824 -0.640 1.00 0.00 C ATOM 1672 OE1 GLU A 107 10.000 15.604 0.321 1.00 0.00 O ATOM 1673 OE2 GLU A 107 9.599 13.596 -0.457 1.00 0.00 O ATOM 0 H GLU A 107 11.424 17.597 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 107 12.280 15.821 -1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 107 11.014 15.459 -3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 107 11.357 14.106 -2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.536 16.448 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.974 14.897 -2.647 1.00 0.00 H new ATOM 1680 N PHE A 108 14.210 16.042 -3.685 1.00 0.00 N ATOM 1681 CA PHE A 108 15.518 15.734 -4.282 1.00 0.00 C ATOM 1682 C PHE A 108 16.212 16.977 -4.883 1.00 0.00 C ATOM 1683 O PHE A 108 15.523 17.950 -5.276 1.00 0.00 O ATOM 1684 CB PHE A 108 15.357 14.616 -5.325 1.00 0.00 C ATOM 1685 CG PHE A 108 14.447 14.924 -6.503 1.00 0.00 C ATOM 1686 CD1 PHE A 108 14.985 15.374 -7.726 1.00 0.00 C ATOM 1687 CD2 PHE A 108 13.059 14.723 -6.386 1.00 0.00 C ATOM 1688 CE1 PHE A 108 14.137 15.620 -8.823 1.00 0.00 C ATOM 1689 CE2 PHE A 108 12.213 14.960 -7.485 1.00 0.00 C ATOM 1690 CZ PHE A 108 12.752 15.409 -8.703 1.00 0.00 C ATOM 0 H PHE A 108 13.754 16.826 -4.151 1.00 0.00 H new ATOM 0 HA PHE A 108 16.176 15.388 -3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 108 16.344 14.363 -5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 108 14.975 13.729 -4.820 1.00 0.00 H new ATOM 0 HD1 PHE A 108 16.049 15.530 -7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 108 12.642 14.385 -5.449 1.00 0.00 H new ATOM 0 HE1 PHE A 108 14.551 15.971 -9.757 1.00 0.00 H new ATOM 0 HE2 PHE A 108 11.149 14.797 -7.393 1.00 0.00 H new ATOM 0 HZ PHE A 108 12.103 15.592 -9.546 1.00 0.00 H new TER 1700 PHE A 108