USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 811 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 24 THR OG1 : rot 180:sc= 0.0123 USER MOD Set 1.2: A 59 HIS : no HE2:sc= -2.02 K(o=-2,f=-4!) USER MOD Set 2.1: A 12 THR OG1 : rot -7:sc= 0.458! USER MOD Set 2.2: A 19 SER OG : rot 6:sc= 1.04 USER MOD Set 3.1: A 4 MET CE :methyl 142:sc= -2.24 (180deg=-3.11!) USER MOD Set 3.2: A 27 MET CE :methyl 175:sc= -3.65 (180deg=-1.77!) USER MOD Set 3.3: A 34 HIS : no HE2:sc= -1.56 K(o=-7.5,f=-11!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.053 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -2.32! C(o=-2.3!,f=-6!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -157:sc= 0.157 USER MOD Single : A 25 MET CE :methyl -125:sc= -0.014 (180deg=-0.262) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.018) USER MOD Single : A 35 THR OG1 : rot 112:sc= -0.204 USER MOD Single : A 39 GLN : amide:sc= -0.869 K(o=-0.87,f=-5.4!) USER MOD Single : A 40 TYR OH : rot -158:sc= 0.406 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -104:sc= 0.898 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0357 USER MOD Single : A 56 GLN : amide:sc=-0.00752 X(o=-0.0075,f=0) USER MOD Single : A 57 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.1!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.397 USER MOD Single : A 61 MET CE :methyl 160:sc= -3.13 (180deg=-3.89!) USER MOD Single : A 69 SER OG : rot 16:sc= 0.475 USER MOD Single : A 70 THR OG1 : rot 75:sc= 0.0893 USER MOD Single : A 72 TYR OH : rot -15:sc= -2.12! USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.645 USER MOD Single : A 81 SER OG : rot 136:sc= -3.49! USER MOD Single : A 83 THR OG1 : rot -78:sc= 0.459! USER MOD Single : A 85 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 86 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.28) USER MOD Single : A 90 SER OG : rot 86:sc= 0.267 USER MOD Single : A 93 SER OG : rot 170:sc= 0.1 USER MOD Single : A 97 SER OG : rot -90:sc= 0.106 USER MOD Single : A 100 THR OG1 : rot 154:sc= 1.12 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.985 3.665 -5.824 1.00 0.00 N ATOM 2 CA MET A 1 8.618 4.903 -6.349 1.00 0.00 C ATOM 3 C MET A 1 9.351 4.633 -7.660 1.00 0.00 C ATOM 4 O MET A 1 9.679 3.489 -7.974 1.00 0.00 O ATOM 5 CB MET A 1 9.592 5.434 -5.295 1.00 0.00 C ATOM 6 CG MET A 1 8.939 6.342 -4.266 1.00 0.00 C ATOM 7 SD MET A 1 8.492 5.468 -2.754 1.00 0.00 S ATOM 8 CE MET A 1 7.682 6.775 -1.838 1.00 0.00 C ATOM 0 H1 MET A 1 8.055 3.652 -4.786 1.00 0.00 H new ATOM 0 H2 MET A 1 6.984 3.642 -6.104 1.00 0.00 H new ATOM 0 H3 MET A 1 8.473 2.833 -6.214 1.00 0.00 H new ATOM 0 HA MET A 1 7.845 5.644 -6.554 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.054 4.591 -4.782 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.392 5.981 -5.794 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.620 7.157 -4.022 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.045 6.792 -4.699 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.347 6.390 -0.875 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.382 7.595 -1.678 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.823 7.137 -2.403 1.00 0.00 H new ATOM 20 N ILE A 2 9.605 5.694 -8.421 1.00 0.00 N ATOM 21 CA ILE A 2 10.299 5.568 -9.698 1.00 0.00 C ATOM 22 C ILE A 2 10.994 6.876 -10.082 1.00 0.00 C ATOM 23 O ILE A 2 11.054 7.811 -9.283 1.00 0.00 O ATOM 24 CB ILE A 2 9.329 5.138 -10.816 1.00 0.00 C ATOM 25 CG1 ILE A 2 8.154 6.112 -10.907 1.00 0.00 C ATOM 26 CG2 ILE A 2 8.829 3.725 -10.563 1.00 0.00 C ATOM 27 CD1 ILE A 2 8.518 7.437 -11.534 1.00 0.00 C ATOM 0 H ILE A 2 9.341 6.648 -8.176 1.00 0.00 H new ATOM 0 HA ILE A 2 11.059 4.795 -9.580 1.00 0.00 H new ATOM 0 HB ILE A 2 9.863 5.153 -11.766 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.355 5.652 -11.488 1.00 0.00 H new ATOM 0 HG13 ILE A 2 7.760 6.288 -9.906 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.145 3.433 -11.360 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.675 3.038 -10.542 1.00 0.00 H new ATOM 0 HG23 ILE A 2 8.308 3.689 -9.606 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.637 8.078 -11.566 1.00 0.00 H new ATOM 0 HD12 ILE A 2 9.296 7.919 -10.941 1.00 0.00 H new ATOM 0 HD13 ILE A 2 8.884 7.272 -12.547 1.00 0.00 H new ATOM 39 N GLN A 3 11.540 6.926 -11.297 1.00 0.00 N ATOM 40 CA GLN A 3 12.256 8.111 -11.774 1.00 0.00 C ATOM 41 C GLN A 3 11.431 9.396 -11.599 1.00 0.00 C ATOM 42 O GLN A 3 11.300 9.898 -10.482 1.00 0.00 O ATOM 43 CB GLN A 3 12.696 7.921 -13.234 1.00 0.00 C ATOM 44 CG GLN A 3 11.683 7.190 -14.101 1.00 0.00 C ATOM 45 CD GLN A 3 12.052 7.213 -15.573 1.00 0.00 C ATOM 46 OE1 GLN A 3 12.345 6.175 -16.167 1.00 0.00 O ATOM 47 NE2 GLN A 3 12.042 8.400 -16.169 1.00 0.00 N ATOM 0 H GLN A 3 11.501 6.160 -11.969 1.00 0.00 H new ATOM 0 HA GLN A 3 13.148 8.228 -11.158 1.00 0.00 H new ATOM 0 HB2 GLN A 3 12.894 8.899 -13.672 1.00 0.00 H new ATOM 0 HB3 GLN A 3 13.636 7.369 -13.249 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.603 6.156 -13.766 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.701 7.645 -13.969 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.793 9.235 -15.639 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.283 8.477 -17.157 1.00 0.00 H new ATOM 56 N MET A 4 10.894 9.943 -12.692 1.00 0.00 N ATOM 57 CA MET A 4 10.112 11.175 -12.620 1.00 0.00 C ATOM 58 C MET A 4 8.699 10.915 -12.121 1.00 0.00 C ATOM 59 O MET A 4 8.090 9.895 -12.436 1.00 0.00 O ATOM 60 CB MET A 4 10.058 11.859 -13.984 1.00 0.00 C ATOM 61 CG MET A 4 11.129 12.922 -14.173 1.00 0.00 C ATOM 62 SD MET A 4 10.956 14.296 -13.017 1.00 0.00 S ATOM 63 CE MET A 4 9.734 15.298 -13.860 1.00 0.00 C ATOM 0 H MET A 4 10.986 9.554 -13.630 1.00 0.00 H new ATOM 0 HA MET A 4 10.610 11.832 -11.907 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.164 11.105 -14.764 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.077 12.316 -14.114 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.112 12.468 -14.047 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.082 13.303 -15.193 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.052 15.731 -13.129 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.234 16.097 -14.408 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.172 14.676 -14.557 1.00 0.00 H new ATOM 73 N ALA A 5 8.184 11.858 -11.346 1.00 0.00 N ATOM 74 CA ALA A 5 6.843 11.758 -10.794 1.00 0.00 C ATOM 75 C ALA A 5 5.898 12.745 -11.478 1.00 0.00 C ATOM 76 O ALA A 5 6.011 13.956 -11.289 1.00 0.00 O ATOM 77 CB ALA A 5 6.873 12.004 -9.296 1.00 0.00 C ATOM 0 H ALA A 5 8.681 12.709 -11.084 1.00 0.00 H new ATOM 0 HA ALA A 5 6.471 10.750 -10.977 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.863 11.926 -8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.512 11.261 -8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.266 13.001 -9.099 1.00 0.00 H new ATOM 83 N PRO A 6 4.956 12.240 -12.291 1.00 0.00 N ATOM 84 CA PRO A 6 3.997 13.081 -13.013 1.00 0.00 C ATOM 85 C PRO A 6 3.296 14.085 -12.099 1.00 0.00 C ATOM 86 O PRO A 6 2.978 13.774 -10.951 1.00 0.00 O ATOM 87 CB PRO A 6 2.999 12.068 -13.575 1.00 0.00 C ATOM 88 CG PRO A 6 3.794 10.818 -13.731 1.00 0.00 C ATOM 89 CD PRO A 6 4.762 10.810 -12.581 1.00 0.00 C ATOM 0 HA PRO A 6 4.479 13.692 -13.776 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.157 11.922 -12.899 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.589 12.400 -14.529 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.151 9.939 -13.708 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.319 10.804 -14.686 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.359 10.276 -11.720 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.700 10.323 -12.848 1.00 0.00 H new ATOM 97 N PRO A 7 3.046 15.309 -12.599 1.00 0.00 N ATOM 98 CA PRO A 7 2.381 16.361 -11.824 1.00 0.00 C ATOM 99 C PRO A 7 0.977 15.958 -11.391 1.00 0.00 C ATOM 100 O PRO A 7 0.571 14.809 -11.558 1.00 0.00 O ATOM 101 CB PRO A 7 2.319 17.547 -12.794 1.00 0.00 C ATOM 102 CG PRO A 7 2.488 16.949 -14.147 1.00 0.00 C ATOM 103 CD PRO A 7 3.389 15.765 -13.956 1.00 0.00 C ATOM 0 HA PRO A 7 2.916 16.581 -10.900 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.369 18.075 -12.712 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.105 18.272 -12.582 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.528 16.647 -14.565 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.926 17.667 -14.841 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.204 14.992 -14.701 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.441 16.040 -14.036 1.00 0.00 H new ATOM 111 N SER A 8 0.239 16.914 -10.840 1.00 0.00 N ATOM 112 CA SER A 8 -1.124 16.661 -10.388 1.00 0.00 C ATOM 113 C SER A 8 -2.121 16.988 -11.492 1.00 0.00 C ATOM 114 O SER A 8 -2.551 18.133 -11.637 1.00 0.00 O ATOM 115 CB SER A 8 -1.434 17.486 -9.138 1.00 0.00 C ATOM 116 OG SER A 8 -1.930 16.666 -8.094 1.00 0.00 O ATOM 0 H SER A 8 0.561 17.871 -10.695 1.00 0.00 H new ATOM 0 HA SER A 8 -1.212 15.603 -10.140 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.532 17.999 -8.804 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.167 18.256 -9.379 1.00 0.00 H new ATOM 0 HG SER A 8 -2.119 17.218 -7.306 1.00 0.00 H new ATOM 122 N LEU A 9 -2.480 15.977 -12.274 1.00 0.00 N ATOM 123 CA LEU A 9 -3.419 16.158 -13.374 1.00 0.00 C ATOM 124 C LEU A 9 -4.861 16.169 -12.877 1.00 0.00 C ATOM 125 O LEU A 9 -5.249 15.352 -12.042 1.00 0.00 O ATOM 126 CB LEU A 9 -3.239 15.053 -14.415 1.00 0.00 C ATOM 127 CG LEU A 9 -4.201 15.131 -15.603 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.938 16.388 -16.416 1.00 0.00 C ATOM 129 CD2 LEU A 9 -4.076 13.892 -16.476 1.00 0.00 C ATOM 0 H LEU A 9 -2.135 15.023 -12.167 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.208 17.124 -13.833 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.216 15.089 -14.790 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.365 14.087 -13.926 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.220 15.176 -15.219 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.630 16.429 -17.257 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.081 17.266 -15.786 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.914 16.372 -16.789 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.768 13.967 -17.315 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.056 13.814 -16.853 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.314 13.006 -15.887 1.00 0.00 H new ATOM 141 N ASN A 10 -5.650 17.099 -13.406 1.00 0.00 N ATOM 142 CA ASN A 10 -7.054 17.220 -13.031 1.00 0.00 C ATOM 143 C ASN A 10 -7.825 17.996 -14.094 1.00 0.00 C ATOM 144 O ASN A 10 -7.404 19.070 -14.523 1.00 0.00 O ATOM 145 CB ASN A 10 -7.188 17.908 -11.670 1.00 0.00 C ATOM 146 CG ASN A 10 -6.638 19.319 -11.677 1.00 0.00 C ATOM 147 OD1 ASN A 10 -5.427 19.523 -11.767 1.00 0.00 O ATOM 148 ND2 ASN A 10 -7.526 20.301 -11.578 1.00 0.00 N ATOM 0 H ASN A 10 -5.339 17.781 -14.098 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.477 16.218 -12.957 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.239 17.932 -11.381 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.663 17.321 -10.916 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.214 21.272 -11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.520 20.084 -11.506 1.00 0.00 H new ATOM 155 N VAL A 11 -8.951 17.438 -14.524 1.00 0.00 N ATOM 156 CA VAL A 11 -9.778 18.068 -15.547 1.00 0.00 C ATOM 157 C VAL A 11 -10.648 19.174 -14.960 1.00 0.00 C ATOM 158 O VAL A 11 -11.209 19.027 -13.876 1.00 0.00 O ATOM 159 CB VAL A 11 -10.681 17.035 -16.244 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.506 17.690 -17.342 1.00 0.00 C ATOM 161 CG2 VAL A 11 -9.845 15.895 -16.802 1.00 0.00 C ATOM 0 H VAL A 11 -9.313 16.549 -14.179 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.097 18.504 -16.278 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.371 16.627 -15.506 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.136 16.940 -17.820 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.134 18.469 -16.910 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -10.840 18.131 -18.084 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.497 15.172 -17.292 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.130 16.288 -17.525 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.307 15.406 -15.989 1.00 0.00 H new ATOM 171 N THR A 12 -10.758 20.281 -15.690 1.00 0.00 N ATOM 172 CA THR A 12 -11.564 21.413 -15.247 1.00 0.00 C ATOM 173 C THR A 12 -12.138 22.169 -16.431 1.00 0.00 C ATOM 174 O THR A 12 -11.409 22.665 -17.290 1.00 0.00 O ATOM 175 CB THR A 12 -10.738 22.355 -14.371 1.00 0.00 C ATOM 176 OG1 THR A 12 -10.013 23.273 -15.169 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.747 21.636 -13.483 1.00 0.00 C ATOM 0 H THR A 12 -10.299 20.417 -16.591 1.00 0.00 H new ATOM 0 HA THR A 12 -12.391 21.021 -14.655 1.00 0.00 H new ATOM 0 HB THR A 12 -11.462 22.867 -13.737 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.115 23.037 -16.115 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.195 22.365 -12.889 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.280 20.956 -12.819 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.050 21.069 -14.100 1.00 0.00 H new ATOM 185 N LYS A 13 -13.456 22.248 -16.455 1.00 0.00 N ATOM 186 CA LYS A 13 -14.169 22.940 -17.521 1.00 0.00 C ATOM 187 C LYS A 13 -14.595 24.332 -17.069 1.00 0.00 C ATOM 188 O LYS A 13 -14.410 24.702 -15.910 1.00 0.00 O ATOM 189 CB LYS A 13 -15.393 22.132 -17.954 1.00 0.00 C ATOM 190 CG LYS A 13 -16.499 22.097 -16.911 1.00 0.00 C ATOM 191 CD LYS A 13 -17.831 21.697 -17.526 1.00 0.00 C ATOM 192 CE LYS A 13 -18.972 22.543 -16.984 1.00 0.00 C ATOM 193 NZ LYS A 13 -20.206 22.406 -17.807 1.00 0.00 N ATOM 0 H LYS A 13 -14.061 21.839 -15.743 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.495 23.043 -18.371 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -15.789 22.555 -18.877 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.084 21.111 -18.178 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.235 21.393 -16.122 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.592 23.078 -16.444 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.780 21.805 -18.609 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.027 20.645 -17.319 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.186 22.248 -15.957 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.667 23.589 -16.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.960 22.998 -17.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.009 22.712 -18.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.512 21.412 -17.811 1.00 0.00 H new ATOM 207 N ASP A 14 -15.162 25.101 -17.991 1.00 0.00 N ATOM 208 CA ASP A 14 -15.610 26.454 -17.682 1.00 0.00 C ATOM 209 C ASP A 14 -16.637 26.935 -18.700 1.00 0.00 C ATOM 210 O ASP A 14 -16.651 28.107 -19.076 1.00 0.00 O ATOM 211 CB ASP A 14 -14.413 27.406 -17.653 1.00 0.00 C ATOM 212 CG ASP A 14 -14.062 27.855 -16.248 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.863 28.599 -15.645 1.00 0.00 O ATOM 214 OD2 ASP A 14 -12.985 27.463 -15.752 1.00 0.00 O ATOM 0 H ASP A 14 -15.322 24.812 -18.956 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.084 26.442 -16.701 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.550 26.913 -18.100 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.633 28.280 -18.266 1.00 0.00 H new ATOM 219 N GLY A 15 -17.494 26.023 -19.142 1.00 0.00 N ATOM 220 CA GLY A 15 -18.513 26.373 -20.114 1.00 0.00 C ATOM 221 C GLY A 15 -18.282 25.704 -21.453 1.00 0.00 C ATOM 222 O GLY A 15 -18.011 26.371 -22.451 1.00 0.00 O ATOM 0 H GLY A 15 -17.502 25.047 -18.845 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.492 26.086 -19.731 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.528 27.455 -20.248 1.00 0.00 H new ATOM 226 N ASP A 16 -18.384 24.380 -21.472 1.00 0.00 N ATOM 227 CA ASP A 16 -18.180 23.615 -22.695 1.00 0.00 C ATOM 228 C ASP A 16 -16.718 23.660 -23.133 1.00 0.00 C ATOM 229 O ASP A 16 -16.399 23.397 -24.293 1.00 0.00 O ATOM 230 CB ASP A 16 -19.076 24.151 -23.812 1.00 0.00 C ATOM 231 CG ASP A 16 -20.466 24.502 -23.319 1.00 0.00 C ATOM 232 OD1 ASP A 16 -20.821 24.086 -22.197 1.00 0.00 O ATOM 233 OD2 ASP A 16 -21.200 25.193 -24.056 1.00 0.00 O ATOM 0 H ASP A 16 -18.607 23.814 -20.653 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.445 22.578 -22.491 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.615 25.036 -24.251 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.152 23.405 -24.603 1.00 0.00 H new ATOM 238 N SER A 17 -15.830 23.988 -22.197 1.00 0.00 N ATOM 239 CA SER A 17 -14.403 24.062 -22.484 1.00 0.00 C ATOM 240 C SER A 17 -13.609 23.264 -21.455 1.00 0.00 C ATOM 241 O SER A 17 -13.228 23.787 -20.410 1.00 0.00 O ATOM 242 CB SER A 17 -13.935 25.519 -22.490 1.00 0.00 C ATOM 243 OG SER A 17 -13.896 26.038 -23.809 1.00 0.00 O ATOM 0 H SER A 17 -16.076 24.207 -21.232 1.00 0.00 H new ATOM 0 HA SER A 17 -14.229 23.632 -23.471 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.606 26.122 -21.878 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.945 25.588 -22.040 1.00 0.00 H new ATOM 0 HG SER A 17 -13.596 26.971 -23.785 1.00 0.00 H new ATOM 249 N TYR A 18 -13.372 21.990 -21.755 1.00 0.00 N ATOM 250 CA TYR A 18 -12.631 21.120 -20.851 1.00 0.00 C ATOM 251 C TYR A 18 -11.131 21.355 -20.975 1.00 0.00 C ATOM 252 O TYR A 18 -10.628 21.679 -22.052 1.00 0.00 O ATOM 253 CB TYR A 18 -12.949 19.652 -21.139 1.00 0.00 C ATOM 254 CG TYR A 18 -14.289 19.195 -20.602 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.365 20.069 -20.517 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.475 17.883 -20.184 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.588 19.649 -20.029 1.00 0.00 C ATOM 258 CE2 TYR A 18 -15.695 17.456 -19.695 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.747 18.342 -19.620 1.00 0.00 C ATOM 260 OH TYR A 18 -17.964 17.921 -19.134 1.00 0.00 O ATOM 0 H TYR A 18 -13.682 21.539 -22.616 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.938 21.359 -19.833 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.927 19.491 -22.217 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.165 19.030 -20.708 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.244 21.093 -20.837 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.653 17.185 -20.242 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.415 20.341 -19.968 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -15.823 16.433 -19.373 1.00 0.00 H new ATOM 0 HH TYR A 18 -17.835 17.133 -18.566 1.00 0.00 H new ATOM 270 N SER A 19 -10.422 21.188 -19.865 1.00 0.00 N ATOM 271 CA SER A 19 -8.979 21.378 -19.840 1.00 0.00 C ATOM 272 C SER A 19 -8.368 20.672 -18.636 1.00 0.00 C ATOM 273 O SER A 19 -8.924 20.709 -17.539 1.00 0.00 O ATOM 274 CB SER A 19 -8.641 22.869 -19.801 1.00 0.00 C ATOM 275 OG SER A 19 -9.447 23.551 -18.856 1.00 0.00 O ATOM 0 H SER A 19 -10.826 20.920 -18.968 1.00 0.00 H new ATOM 0 HA SER A 19 -8.559 20.945 -20.748 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.589 23.000 -19.548 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.787 23.304 -20.790 1.00 0.00 H new ATOM 0 HG SER A 19 -9.990 22.903 -18.361 1.00 0.00 H new ATOM 281 N LEU A 20 -7.223 20.033 -18.844 1.00 0.00 N ATOM 282 CA LEU A 20 -6.546 19.325 -17.763 1.00 0.00 C ATOM 283 C LEU A 20 -5.511 20.226 -17.097 1.00 0.00 C ATOM 284 O LEU A 20 -4.717 20.878 -17.772 1.00 0.00 O ATOM 285 CB LEU A 20 -5.871 18.042 -18.275 1.00 0.00 C ATOM 286 CG LEU A 20 -6.170 17.662 -19.728 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.360 16.442 -20.138 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.657 17.404 -19.916 1.00 0.00 C ATOM 0 H LEU A 20 -6.746 19.990 -19.745 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.300 19.046 -17.027 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.792 18.153 -18.164 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.174 17.214 -17.634 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.882 18.496 -20.368 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.586 16.187 -21.173 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.297 16.662 -20.042 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.616 15.602 -19.493 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.851 17.135 -20.954 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.970 16.587 -19.265 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.217 18.304 -19.663 1.00 0.00 H new ATOM 300 N ARG A 21 -5.528 20.258 -15.769 1.00 0.00 N ATOM 301 CA ARG A 21 -4.591 21.080 -15.013 1.00 0.00 C ATOM 302 C ARG A 21 -3.476 20.223 -14.425 1.00 0.00 C ATOM 303 O ARG A 21 -3.731 19.304 -13.646 1.00 0.00 O ATOM 304 CB ARG A 21 -5.321 21.828 -13.899 1.00 0.00 C ATOM 305 CG ARG A 21 -4.864 23.267 -13.729 1.00 0.00 C ATOM 306 CD ARG A 21 -6.017 24.173 -13.333 1.00 0.00 C ATOM 307 NE ARG A 21 -5.674 25.039 -12.209 1.00 0.00 N ATOM 308 CZ ARG A 21 -5.381 24.588 -10.994 1.00 0.00 C ATOM 309 NH1 ARG A 21 -5.376 23.284 -10.752 1.00 0.00 N ATOM 310 NH2 ARG A 21 -5.090 25.441 -10.020 1.00 0.00 N ATOM 0 H ARG A 21 -6.180 19.724 -15.194 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.147 21.806 -15.694 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.391 21.818 -14.107 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.174 21.296 -12.959 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.084 23.315 -12.969 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.423 23.623 -14.660 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.306 24.786 -14.187 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.882 23.564 -13.070 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.658 26.047 -12.365 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.597 22.626 -11.499 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.151 22.939 -9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.091 26.444 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.865 25.093 -9.088 1.00 0.00 H new ATOM 324 N TRP A 22 -2.240 20.526 -14.805 1.00 0.00 N ATOM 325 CA TRP A 22 -1.087 19.778 -14.318 1.00 0.00 C ATOM 326 C TRP A 22 0.133 20.681 -14.170 1.00 0.00 C ATOM 327 O TRP A 22 0.512 21.387 -15.103 1.00 0.00 O ATOM 328 CB TRP A 22 -0.765 18.625 -15.267 1.00 0.00 C ATOM 329 CG TRP A 22 -0.318 19.077 -16.625 1.00 0.00 C ATOM 330 CD1 TRP A 22 0.928 19.511 -16.974 1.00 0.00 C ATOM 331 CD2 TRP A 22 -1.112 19.138 -17.814 1.00 0.00 C ATOM 332 NE1 TRP A 22 0.957 19.836 -18.310 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.283 19.615 -18.847 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.444 18.835 -18.106 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.746 19.792 -20.148 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.898 19.013 -19.399 1.00 0.00 C ATOM 337 CH2 TRP A 22 -2.054 19.486 -20.400 1.00 0.00 C ATOM 0 H TRP A 22 -2.011 21.284 -15.448 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.339 19.377 -13.336 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.015 18.006 -14.823 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.648 17.995 -15.375 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.768 19.588 -16.300 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.770 20.185 -18.818 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.106 18.469 -17.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.096 20.158 -20.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.926 18.781 -19.637 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.442 19.614 -21.400 1.00 0.00 H new ATOM 348 N GLU A 23 0.743 20.649 -12.991 1.00 0.00 N ATOM 349 CA GLU A 23 1.922 21.460 -12.720 1.00 0.00 C ATOM 350 C GLU A 23 3.004 20.631 -12.036 1.00 0.00 C ATOM 351 O GLU A 23 2.729 19.890 -11.093 1.00 0.00 O ATOM 352 CB GLU A 23 1.550 22.657 -11.844 1.00 0.00 C ATOM 353 CG GLU A 23 2.697 23.629 -11.623 1.00 0.00 C ATOM 354 CD GLU A 23 2.264 25.076 -11.739 1.00 0.00 C ATOM 355 OE1 GLU A 23 1.630 25.425 -12.758 1.00 0.00 O ATOM 356 OE2 GLU A 23 2.557 25.860 -10.814 1.00 0.00 O ATOM 0 H GLU A 23 0.440 20.070 -12.208 1.00 0.00 H new ATOM 0 HA GLU A 23 2.313 21.822 -13.671 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.718 23.189 -12.305 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.201 22.294 -10.877 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.127 23.460 -10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.483 23.429 -12.351 1.00 0.00 H new ATOM 363 N THR A 24 4.235 20.759 -12.520 1.00 0.00 N ATOM 364 CA THR A 24 5.356 20.020 -11.955 1.00 0.00 C ATOM 365 C THR A 24 5.981 20.782 -10.793 1.00 0.00 C ATOM 366 O THR A 24 5.788 21.990 -10.653 1.00 0.00 O ATOM 367 CB THR A 24 6.414 19.754 -13.026 1.00 0.00 C ATOM 368 OG1 THR A 24 6.710 20.939 -13.744 1.00 0.00 O ATOM 369 CG2 THR A 24 5.998 18.702 -14.029 1.00 0.00 C ATOM 0 H THR A 24 4.481 21.367 -13.301 1.00 0.00 H new ATOM 0 HA THR A 24 4.976 19.068 -11.583 1.00 0.00 H new ATOM 0 HB THR A 24 7.288 19.391 -12.485 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.390 20.749 -14.423 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.794 18.562 -14.761 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.810 17.761 -13.512 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.090 19.024 -14.538 1.00 0.00 H new ATOM 377 N MET A 25 6.731 20.067 -9.964 1.00 0.00 N ATOM 378 CA MET A 25 7.390 20.672 -8.814 1.00 0.00 C ATOM 379 C MET A 25 8.164 19.629 -8.015 1.00 0.00 C ATOM 380 O MET A 25 8.219 19.688 -6.787 1.00 0.00 O ATOM 381 CB MET A 25 6.366 21.363 -7.913 1.00 0.00 C ATOM 382 CG MET A 25 5.221 20.457 -7.491 1.00 0.00 C ATOM 383 SD MET A 25 3.867 21.363 -6.717 1.00 0.00 S ATOM 384 CE MET A 25 3.086 22.095 -8.152 1.00 0.00 C ATOM 0 H MET A 25 6.898 19.066 -10.067 1.00 0.00 H new ATOM 0 HA MET A 25 8.095 21.415 -9.186 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.871 21.736 -7.022 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.960 22.229 -8.436 1.00 0.00 H new ATOM 0 HG2 MET A 25 4.844 19.924 -8.364 1.00 0.00 H new ATOM 0 HG3 MET A 25 5.595 19.706 -6.795 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.022 23.175 -8.020 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.676 21.873 -9.041 1.00 0.00 H new ATOM 0 HE3 MET A 25 2.084 21.684 -8.270 1.00 0.00 H new ATOM 394 N LYS A 26 8.763 18.676 -8.721 1.00 0.00 N ATOM 395 CA LYS A 26 9.538 17.623 -8.076 1.00 0.00 C ATOM 396 C LYS A 26 11.004 17.679 -8.498 1.00 0.00 C ATOM 397 O LYS A 26 11.758 16.732 -8.272 1.00 0.00 O ATOM 398 CB LYS A 26 8.948 16.251 -8.408 1.00 0.00 C ATOM 399 CG LYS A 26 7.756 15.880 -7.543 1.00 0.00 C ATOM 400 CD LYS A 26 6.506 16.634 -7.965 1.00 0.00 C ATOM 401 CE LYS A 26 5.616 15.780 -8.851 1.00 0.00 C ATOM 402 NZ LYS A 26 4.759 14.860 -8.054 1.00 0.00 N ATOM 0 H LYS A 26 8.727 18.611 -9.738 1.00 0.00 H new ATOM 0 HA LYS A 26 9.488 17.782 -6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.645 16.238 -9.455 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.722 15.493 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.576 14.807 -7.611 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.980 16.100 -6.499 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.950 16.944 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.789 17.542 -8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.985 16.426 -9.462 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.235 15.199 -9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.167 14.295 -8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.361 14.227 -7.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.150 15.415 -7.419 1.00 0.00 H new ATOM 416 N MET A 27 11.408 18.794 -9.105 1.00 0.00 N ATOM 417 CA MET A 27 12.788 18.964 -9.543 1.00 0.00 C ATOM 418 C MET A 27 13.107 20.433 -9.796 1.00 0.00 C ATOM 419 O MET A 27 14.137 20.935 -9.349 1.00 0.00 O ATOM 420 CB MET A 27 13.068 18.138 -10.805 1.00 0.00 C ATOM 421 CG MET A 27 12.141 18.437 -11.977 1.00 0.00 C ATOM 422 SD MET A 27 10.458 17.841 -11.714 1.00 0.00 S ATOM 423 CE MET A 27 9.637 18.465 -13.179 1.00 0.00 C ATOM 0 H MET A 27 10.800 19.589 -9.303 1.00 0.00 H new ATOM 0 HA MET A 27 13.434 18.605 -8.742 1.00 0.00 H new ATOM 0 HB2 MET A 27 14.097 18.315 -11.118 1.00 0.00 H new ATOM 0 HB3 MET A 27 12.988 17.080 -10.556 1.00 0.00 H new ATOM 0 HG2 MET A 27 12.117 19.513 -12.149 1.00 0.00 H new ATOM 0 HG3 MET A 27 12.546 17.979 -12.880 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.610 18.101 -13.203 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.636 19.555 -13.159 1.00 0.00 H new ATOM 0 HE3 MET A 27 10.165 18.119 -14.067 1.00 0.00 H new ATOM 433 N ARG A 28 12.216 21.122 -10.506 1.00 0.00 N ATOM 434 CA ARG A 28 12.403 22.537 -10.814 1.00 0.00 C ATOM 435 C ARG A 28 13.596 22.752 -11.745 1.00 0.00 C ATOM 436 O ARG A 28 13.440 23.237 -12.866 1.00 0.00 O ATOM 437 CB ARG A 28 12.596 23.335 -9.523 1.00 0.00 C ATOM 438 CG ARG A 28 11.484 23.127 -8.509 1.00 0.00 C ATOM 439 CD ARG A 28 10.990 24.450 -7.945 1.00 0.00 C ATOM 440 NE ARG A 28 11.198 24.541 -6.503 1.00 0.00 N ATOM 441 CZ ARG A 28 11.211 25.689 -5.833 1.00 0.00 C ATOM 442 NH1 ARG A 28 11.021 26.834 -6.474 1.00 0.00 N ATOM 443 NH2 ARG A 28 11.412 25.692 -4.524 1.00 0.00 N ATOM 0 H ARG A 28 11.355 20.721 -10.879 1.00 0.00 H new ATOM 0 HA ARG A 28 11.508 22.890 -11.326 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.547 23.054 -9.070 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.660 24.395 -9.767 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.655 22.599 -8.980 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.844 22.496 -7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.509 25.271 -8.439 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.929 24.565 -8.166 1.00 0.00 H new ATOM 0 HE ARG A 28 11.341 23.676 -5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.865 26.834 -7.482 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.031 27.714 -5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.557 24.812 -4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.422 26.574 -4.012 1.00 0.00 H new ATOM 457 N TYR A 29 14.786 22.394 -11.274 1.00 0.00 N ATOM 458 CA TYR A 29 16.007 22.549 -12.059 1.00 0.00 C ATOM 459 C TYR A 29 16.295 24.021 -12.340 1.00 0.00 C ATOM 460 O TYR A 29 17.052 24.664 -11.612 1.00 0.00 O ATOM 461 CB TYR A 29 15.901 21.773 -13.373 1.00 0.00 C ATOM 462 CG TYR A 29 16.757 20.527 -13.406 1.00 0.00 C ATOM 463 CD1 TYR A 29 16.331 19.354 -12.794 1.00 0.00 C ATOM 464 CD2 TYR A 29 17.990 20.525 -14.044 1.00 0.00 C ATOM 465 CE1 TYR A 29 17.111 18.214 -12.820 1.00 0.00 C ATOM 466 CE2 TYR A 29 18.776 19.387 -14.073 1.00 0.00 C ATOM 467 CZ TYR A 29 18.333 18.235 -13.459 1.00 0.00 C ATOM 468 OH TYR A 29 19.112 17.102 -13.486 1.00 0.00 O ATOM 0 H TYR A 29 14.932 21.992 -10.348 1.00 0.00 H new ATOM 0 HA TYR A 29 16.834 22.144 -11.476 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.860 21.494 -13.539 1.00 0.00 H new ATOM 0 HB3 TYR A 29 16.191 22.426 -14.196 1.00 0.00 H new ATOM 0 HD1 TYR A 29 15.376 19.333 -12.291 1.00 0.00 H new ATOM 0 HD2 TYR A 29 18.341 21.426 -14.525 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.765 17.310 -12.342 1.00 0.00 H new ATOM 0 HE2 TYR A 29 19.732 19.401 -14.574 1.00 0.00 H new ATOM 0 HH TYR A 29 19.940 17.286 -13.977 1.00 0.00 H new ATOM 478 N GLU A 30 15.691 24.552 -13.400 1.00 0.00 N ATOM 479 CA GLU A 30 15.888 25.950 -13.771 1.00 0.00 C ATOM 480 C GLU A 30 14.704 26.468 -14.583 1.00 0.00 C ATOM 481 O GLU A 30 13.769 27.050 -14.033 1.00 0.00 O ATOM 482 CB GLU A 30 17.184 26.106 -14.572 1.00 0.00 C ATOM 483 CG GLU A 30 18.426 26.242 -13.706 1.00 0.00 C ATOM 484 CD GLU A 30 19.319 27.385 -14.148 1.00 0.00 C ATOM 485 OE1 GLU A 30 18.814 28.307 -14.823 1.00 0.00 O ATOM 486 OE2 GLU A 30 20.524 27.357 -13.821 1.00 0.00 O ATOM 0 H GLU A 30 15.062 24.036 -14.016 1.00 0.00 H new ATOM 0 HA GLU A 30 15.962 26.539 -12.857 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.302 25.243 -15.227 1.00 0.00 H new ATOM 0 HB3 GLU A 30 17.101 26.984 -15.213 1.00 0.00 H new ATOM 0 HG2 GLU A 30 18.127 26.398 -12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 30 18.991 25.310 -13.738 1.00 0.00 H new ATOM 493 N HIS A 31 14.748 26.248 -15.894 1.00 0.00 N ATOM 494 CA HIS A 31 13.680 26.683 -16.784 1.00 0.00 C ATOM 495 C HIS A 31 13.539 25.712 -17.948 1.00 0.00 C ATOM 496 O HIS A 31 13.267 26.111 -19.079 1.00 0.00 O ATOM 497 CB HIS A 31 13.954 28.095 -17.307 1.00 0.00 C ATOM 498 CG HIS A 31 15.318 28.264 -17.903 1.00 0.00 C ATOM 499 ND1 HIS A 31 16.263 29.125 -17.386 1.00 0.00 N ATOM 500 CD2 HIS A 31 15.894 27.678 -18.980 1.00 0.00 C ATOM 501 CE1 HIS A 31 17.359 29.064 -18.121 1.00 0.00 C ATOM 502 NE2 HIS A 31 17.162 28.193 -19.093 1.00 0.00 N ATOM 0 H HIS A 31 15.516 25.769 -16.364 1.00 0.00 H new ATOM 0 HA HIS A 31 12.747 26.699 -16.220 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.205 28.346 -18.059 1.00 0.00 H new ATOM 0 HB3 HIS A 31 13.834 28.805 -16.489 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.441 26.943 -19.629 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.263 29.631 -17.955 1.00 0.00 H new ATOM 0 HE2 HIS A 31 17.841 27.943 -19.812 1.00 0.00 H new ATOM 511 N ILE A 32 13.731 24.432 -17.653 1.00 0.00 N ATOM 512 CA ILE A 32 13.630 23.388 -18.665 1.00 0.00 C ATOM 513 C ILE A 32 12.253 23.393 -19.306 1.00 0.00 C ATOM 514 O ILE A 32 11.249 23.671 -18.650 1.00 0.00 O ATOM 515 CB ILE A 32 13.905 21.991 -18.073 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.161 22.017 -17.204 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.047 20.960 -19.182 1.00 0.00 C ATOM 518 CD1 ILE A 32 15.556 20.660 -16.667 1.00 0.00 C ATOM 0 H ILE A 32 13.958 24.092 -16.719 1.00 0.00 H new ATOM 0 HA ILE A 32 14.387 23.602 -19.419 1.00 0.00 H new ATOM 0 HB ILE A 32 13.058 21.709 -17.448 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.988 22.422 -17.788 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.999 22.696 -16.367 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.241 19.980 -18.745 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.126 20.922 -19.764 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.876 21.238 -19.833 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.456 20.757 -16.060 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.747 20.261 -16.056 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.751 19.982 -17.498 1.00 0.00 H new ATOM 530 N ASP A 33 12.214 23.086 -20.592 1.00 0.00 N ATOM 531 CA ASP A 33 10.959 23.055 -21.330 1.00 0.00 C ATOM 532 C ASP A 33 9.987 22.060 -20.707 1.00 0.00 C ATOM 533 O ASP A 33 8.787 22.318 -20.624 1.00 0.00 O ATOM 534 CB ASP A 33 11.212 22.690 -22.794 1.00 0.00 C ATOM 535 CG ASP A 33 11.444 23.911 -23.662 1.00 0.00 C ATOM 536 OD1 ASP A 33 11.272 25.040 -23.157 1.00 0.00 O ATOM 537 OD2 ASP A 33 11.800 23.738 -24.847 1.00 0.00 O ATOM 0 H ASP A 33 13.037 22.854 -21.148 1.00 0.00 H new ATOM 0 HA ASP A 33 10.514 24.049 -21.283 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.079 22.033 -22.857 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.359 22.131 -23.179 1.00 0.00 H new ATOM 542 N HIS A 34 10.513 20.918 -20.274 1.00 0.00 N ATOM 543 CA HIS A 34 9.694 19.876 -19.661 1.00 0.00 C ATOM 544 C HIS A 34 8.440 19.610 -20.488 1.00 0.00 C ATOM 545 O HIS A 34 7.408 20.255 -20.295 1.00 0.00 O ATOM 546 CB HIS A 34 9.307 20.268 -18.234 1.00 0.00 C ATOM 547 CG HIS A 34 10.265 19.768 -17.197 1.00 0.00 C ATOM 548 ND1 HIS A 34 10.884 20.594 -16.283 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.711 18.517 -16.933 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.670 19.872 -15.502 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.581 18.609 -15.877 1.00 0.00 N ATOM 0 H HIS A 34 11.505 20.690 -20.336 1.00 0.00 H new ATOM 0 HA HIS A 34 10.285 18.961 -19.628 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.246 21.354 -18.168 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.312 19.879 -18.016 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.756 21.604 -16.219 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.433 17.614 -17.457 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.280 20.251 -14.695 1.00 0.00 H new ATOM 560 N THR A 35 8.536 18.657 -21.408 1.00 0.00 N ATOM 561 CA THR A 35 7.410 18.306 -22.266 1.00 0.00 C ATOM 562 C THR A 35 6.407 17.439 -21.515 1.00 0.00 C ATOM 563 O THR A 35 6.778 16.663 -20.635 1.00 0.00 O ATOM 564 CB THR A 35 7.903 17.576 -23.517 1.00 0.00 C ATOM 565 OG1 THR A 35 8.900 16.626 -23.182 1.00 0.00 O ATOM 566 CG2 THR A 35 8.487 18.507 -24.558 1.00 0.00 C ATOM 0 H THR A 35 9.382 18.113 -21.579 1.00 0.00 H new ATOM 0 HA THR A 35 6.911 19.227 -22.567 1.00 0.00 H new ATOM 0 HB THR A 35 7.022 17.091 -23.938 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.552 15.721 -23.327 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.818 17.927 -25.420 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.728 19.223 -24.872 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.336 19.042 -24.133 1.00 0.00 H new ATOM 574 N PHE A 36 5.132 17.579 -21.863 1.00 0.00 N ATOM 575 CA PHE A 36 4.078 16.811 -21.215 1.00 0.00 C ATOM 576 C PHE A 36 3.234 16.060 -22.239 1.00 0.00 C ATOM 577 O PHE A 36 2.538 16.673 -23.048 1.00 0.00 O ATOM 578 CB PHE A 36 3.185 17.734 -20.386 1.00 0.00 C ATOM 579 CG PHE A 36 3.917 18.449 -19.288 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.506 19.681 -19.517 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.018 17.885 -18.027 1.00 0.00 C ATOM 582 CE1 PHE A 36 5.183 20.338 -18.508 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.692 18.536 -17.014 1.00 0.00 C ATOM 584 CZ PHE A 36 5.277 19.764 -17.254 1.00 0.00 C ATOM 0 H PHE A 36 4.805 18.216 -22.589 1.00 0.00 H new ATOM 0 HA PHE A 36 4.551 16.081 -20.559 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.726 18.471 -21.045 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.376 17.148 -19.950 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.435 20.133 -20.495 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.564 16.924 -17.834 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.638 21.299 -18.699 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.762 18.086 -16.035 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.807 20.275 -16.463 1.00 0.00 H new ATOM 594 N GLU A 37 3.290 14.733 -22.194 1.00 0.00 N ATOM 595 CA GLU A 37 2.519 13.913 -23.118 1.00 0.00 C ATOM 596 C GLU A 37 1.109 13.687 -22.584 1.00 0.00 C ATOM 597 O GLU A 37 0.889 12.833 -21.726 1.00 0.00 O ATOM 598 CB GLU A 37 3.215 12.571 -23.354 1.00 0.00 C ATOM 599 CG GLU A 37 3.531 12.301 -24.816 1.00 0.00 C ATOM 600 CD GLU A 37 3.133 10.905 -25.252 1.00 0.00 C ATOM 601 OE1 GLU A 37 1.948 10.546 -25.089 1.00 0.00 O ATOM 602 OE2 GLU A 37 4.007 10.169 -25.756 1.00 0.00 O ATOM 0 H GLU A 37 3.858 14.206 -21.531 1.00 0.00 H new ATOM 0 HA GLU A 37 2.451 14.442 -24.069 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.141 12.545 -22.780 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.581 11.770 -22.974 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.013 13.032 -25.437 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.599 12.439 -24.984 1.00 0.00 H new ATOM 609 N ILE A 38 0.159 14.463 -23.098 1.00 0.00 N ATOM 610 CA ILE A 38 -1.232 14.350 -22.672 1.00 0.00 C ATOM 611 C ILE A 38 -1.908 13.174 -23.361 1.00 0.00 C ATOM 612 O ILE A 38 -1.825 13.027 -24.580 1.00 0.00 O ATOM 613 CB ILE A 38 -2.027 15.634 -22.986 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.157 16.875 -22.776 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.277 15.707 -22.123 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.429 16.886 -21.451 1.00 0.00 C ATOM 0 H ILE A 38 0.327 15.175 -23.809 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.225 14.194 -21.593 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.329 15.603 -24.033 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.427 16.937 -23.583 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.784 17.764 -22.844 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.827 16.619 -22.356 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.908 14.841 -22.323 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.993 15.714 -21.071 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.168 17.795 -21.371 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.154 16.855 -20.637 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.225 16.016 -21.388 1.00 0.00 H new ATOM 628 N GLN A 39 -2.568 12.328 -22.576 1.00 0.00 N ATOM 629 CA GLN A 39 -3.243 11.159 -23.127 1.00 0.00 C ATOM 630 C GLN A 39 -4.570 10.909 -22.415 1.00 0.00 C ATOM 631 O GLN A 39 -4.590 10.574 -21.233 1.00 0.00 O ATOM 632 CB GLN A 39 -2.330 9.936 -23.003 1.00 0.00 C ATOM 633 CG GLN A 39 -2.872 8.689 -23.678 1.00 0.00 C ATOM 634 CD GLN A 39 -1.950 7.496 -23.522 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.305 6.502 -22.887 1.00 0.00 O ATOM 636 NE2 GLN A 39 -0.757 7.589 -24.100 1.00 0.00 N ATOM 0 H GLN A 39 -2.649 12.429 -21.564 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.459 11.342 -24.180 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.358 10.176 -23.434 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.167 9.723 -21.947 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.848 8.447 -23.257 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.023 8.891 -24.738 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.505 8.432 -24.617 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.093 6.818 -24.027 1.00 0.00 H new ATOM 645 N TYR A 40 -5.677 11.079 -23.140 1.00 0.00 N ATOM 646 CA TYR A 40 -7.006 10.873 -22.566 1.00 0.00 C ATOM 647 C TYR A 40 -7.782 9.799 -23.322 1.00 0.00 C ATOM 648 O TYR A 40 -7.997 9.907 -24.529 1.00 0.00 O ATOM 649 CB TYR A 40 -7.805 12.179 -22.565 1.00 0.00 C ATOM 650 CG TYR A 40 -8.001 12.780 -23.938 1.00 0.00 C ATOM 651 CD1 TYR A 40 -7.058 13.639 -24.488 1.00 0.00 C ATOM 652 CD2 TYR A 40 -9.134 12.491 -24.678 1.00 0.00 C ATOM 653 CE1 TYR A 40 -7.244 14.193 -25.741 1.00 0.00 C ATOM 654 CE2 TYR A 40 -9.328 13.037 -25.932 1.00 0.00 C ATOM 655 CZ TYR A 40 -8.380 13.887 -26.459 1.00 0.00 C ATOM 656 OH TYR A 40 -8.570 14.436 -27.707 1.00 0.00 O ATOM 0 H TYR A 40 -5.679 11.358 -24.121 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.865 10.537 -21.539 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.782 11.995 -22.117 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.295 12.905 -21.931 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.166 13.878 -23.928 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.880 11.827 -24.268 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.504 14.862 -26.155 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -10.218 12.799 -26.496 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.523 14.413 -27.933 1.00 0.00 H new ATOM 666 N ARG A 41 -8.214 8.769 -22.598 1.00 0.00 N ATOM 667 CA ARG A 41 -8.980 7.682 -23.191 1.00 0.00 C ATOM 668 C ARG A 41 -10.417 7.722 -22.685 1.00 0.00 C ATOM 669 O ARG A 41 -10.842 8.713 -22.092 1.00 0.00 O ATOM 670 CB ARG A 41 -8.333 6.326 -22.877 1.00 0.00 C ATOM 671 CG ARG A 41 -8.594 5.820 -21.467 1.00 0.00 C ATOM 672 CD ARG A 41 -9.313 4.480 -21.479 1.00 0.00 C ATOM 673 NE ARG A 41 -10.008 4.216 -20.222 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.420 3.702 -19.145 1.00 0.00 C ATOM 675 NH1 ARG A 41 -8.130 3.396 -19.168 1.00 0.00 N ATOM 676 NH2 ARG A 41 -10.125 3.490 -18.041 1.00 0.00 N ATOM 0 H ARG A 41 -8.045 8.667 -21.597 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.985 7.809 -24.274 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.701 5.587 -23.589 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.257 6.406 -23.028 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.648 5.722 -20.934 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.193 6.550 -20.922 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.030 4.462 -22.300 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.592 3.684 -21.668 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.002 4.439 -20.167 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.583 3.554 -20.014 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.684 3.002 -18.339 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.118 3.721 -18.018 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.674 3.096 -17.216 1.00 0.00 H new ATOM 690 N LYS A 42 -11.167 6.654 -22.926 1.00 0.00 N ATOM 691 CA LYS A 42 -12.557 6.603 -22.492 1.00 0.00 C ATOM 692 C LYS A 42 -12.901 5.265 -21.855 1.00 0.00 C ATOM 693 O LYS A 42 -12.333 4.229 -22.201 1.00 0.00 O ATOM 694 CB LYS A 42 -13.486 6.868 -23.674 1.00 0.00 C ATOM 695 CG LYS A 42 -12.974 7.951 -24.597 1.00 0.00 C ATOM 696 CD LYS A 42 -12.401 7.373 -25.880 1.00 0.00 C ATOM 697 CE LYS A 42 -12.102 8.469 -26.888 1.00 0.00 C ATOM 698 NZ LYS A 42 -10.949 8.123 -27.766 1.00 0.00 N ATOM 0 H LYS A 42 -10.841 5.820 -23.414 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.695 7.378 -21.738 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.615 5.946 -24.241 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.469 7.152 -23.299 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.786 8.637 -24.838 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.207 8.532 -24.085 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.488 6.820 -25.658 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.107 6.662 -26.310 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.985 8.647 -27.502 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.889 9.398 -26.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.780 8.898 -28.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.100 7.979 -27.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.161 7.250 -28.290 1.00 0.00 H new ATOM 712 N ASP A 43 -13.848 5.301 -20.927 1.00 0.00 N ATOM 713 CA ASP A 43 -14.296 4.104 -20.232 1.00 0.00 C ATOM 714 C ASP A 43 -14.839 3.072 -21.223 1.00 0.00 C ATOM 715 O ASP A 43 -14.943 1.888 -20.902 1.00 0.00 O ATOM 716 CB ASP A 43 -15.368 4.483 -19.203 1.00 0.00 C ATOM 717 CG ASP A 43 -16.134 3.289 -18.664 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.534 2.486 -17.918 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.334 3.157 -18.987 1.00 0.00 O ATOM 0 H ASP A 43 -14.324 6.155 -20.637 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.448 3.654 -19.716 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.895 5.007 -18.372 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.070 5.180 -19.661 1.00 0.00 H new ATOM 724 N THR A 44 -15.185 3.526 -22.424 1.00 0.00 N ATOM 725 CA THR A 44 -15.717 2.638 -23.451 1.00 0.00 C ATOM 726 C THR A 44 -14.608 2.141 -24.371 1.00 0.00 C ATOM 727 O THR A 44 -14.597 0.978 -24.777 1.00 0.00 O ATOM 728 CB THR A 44 -16.792 3.356 -24.267 1.00 0.00 C ATOM 729 OG1 THR A 44 -17.481 2.443 -25.102 1.00 0.00 O ATOM 730 CG2 THR A 44 -16.241 4.457 -25.148 1.00 0.00 C ATOM 0 H THR A 44 -15.106 4.502 -22.709 1.00 0.00 H new ATOM 0 HA THR A 44 -16.163 1.776 -22.955 1.00 0.00 H new ATOM 0 HB THR A 44 -17.461 3.802 -23.532 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.166 2.921 -25.615 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.057 4.925 -25.699 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.746 5.205 -24.529 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.523 4.035 -25.851 1.00 0.00 H new ATOM 738 N ALA A 45 -13.675 3.030 -24.697 1.00 0.00 N ATOM 739 CA ALA A 45 -12.561 2.682 -25.571 1.00 0.00 C ATOM 740 C ALA A 45 -11.324 2.314 -24.759 1.00 0.00 C ATOM 741 O ALA A 45 -11.391 2.172 -23.538 1.00 0.00 O ATOM 742 CB ALA A 45 -12.254 3.836 -26.514 1.00 0.00 C ATOM 0 H ALA A 45 -13.668 3.996 -24.369 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.848 1.812 -26.161 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.420 3.565 -27.162 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.132 4.051 -27.123 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.990 4.720 -25.933 1.00 0.00 H new ATOM 748 N THR A 46 -10.196 2.157 -25.445 1.00 0.00 N ATOM 749 CA THR A 46 -8.945 1.803 -24.785 1.00 0.00 C ATOM 750 C THR A 46 -7.891 2.885 -24.997 1.00 0.00 C ATOM 751 O THR A 46 -8.022 3.729 -25.883 1.00 0.00 O ATOM 752 CB THR A 46 -8.430 0.463 -25.312 1.00 0.00 C ATOM 753 OG1 THR A 46 -8.557 0.396 -26.721 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.157 -0.728 -24.727 1.00 0.00 C ATOM 0 H THR A 46 -10.123 2.269 -26.456 1.00 0.00 H new ATOM 0 HA THR A 46 -9.139 1.716 -23.716 1.00 0.00 H new ATOM 0 HB THR A 46 -7.384 0.415 -25.008 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.221 -0.468 -27.039 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.743 -1.647 -25.142 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.035 -0.732 -23.644 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.217 -0.664 -24.973 1.00 0.00 H new ATOM 762 N TRP A 47 -6.845 2.853 -24.177 1.00 0.00 N ATOM 763 CA TRP A 47 -5.767 3.832 -24.273 1.00 0.00 C ATOM 764 C TRP A 47 -5.258 3.944 -25.708 1.00 0.00 C ATOM 765 O TRP A 47 -4.753 4.989 -26.119 1.00 0.00 O ATOM 766 CB TRP A 47 -4.612 3.438 -23.351 1.00 0.00 C ATOM 767 CG TRP A 47 -4.910 3.643 -21.898 1.00 0.00 C ATOM 768 CD1 TRP A 47 -4.984 2.677 -20.936 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.174 4.887 -21.241 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.277 3.245 -19.720 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.398 4.600 -19.880 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.240 6.215 -21.668 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.684 5.593 -18.947 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.524 7.200 -20.741 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.744 6.884 -19.394 1.00 0.00 C ATOM 0 H TRP A 47 -6.721 2.160 -23.439 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.163 4.800 -23.966 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.365 2.390 -23.519 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -3.730 4.020 -23.618 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.834 1.621 -21.106 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.387 2.740 -18.841 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -5.072 6.468 -22.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.852 5.352 -17.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.577 8.230 -21.060 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.966 7.676 -18.694 1.00 0.00 H new ATOM 786 N LYS A 48 -5.385 2.857 -26.462 1.00 0.00 N ATOM 787 CA LYS A 48 -4.928 2.828 -27.848 1.00 0.00 C ATOM 788 C LYS A 48 -5.641 3.883 -28.691 1.00 0.00 C ATOM 789 O LYS A 48 -5.035 4.507 -29.563 1.00 0.00 O ATOM 790 CB LYS A 48 -5.154 1.442 -28.452 1.00 0.00 C ATOM 791 CG LYS A 48 -4.162 0.397 -27.962 1.00 0.00 C ATOM 792 CD LYS A 48 -4.864 -0.881 -27.530 1.00 0.00 C ATOM 793 CE LYS A 48 -3.877 -2.017 -27.318 1.00 0.00 C ATOM 794 NZ LYS A 48 -4.489 -3.346 -27.598 1.00 0.00 N ATOM 0 H LYS A 48 -5.801 1.984 -26.137 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.862 3.053 -27.851 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.165 1.111 -28.214 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.089 1.513 -29.538 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.449 0.171 -28.755 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.591 0.800 -27.125 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.415 -0.700 -26.607 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.594 -1.169 -28.286 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.012 -1.872 -27.966 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.513 -1.994 -26.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.783 -4.093 -27.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.299 -3.496 -26.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.813 -3.378 -28.586 1.00 0.00 H new ATOM 808 N ASP A 49 -6.929 4.076 -28.431 1.00 0.00 N ATOM 809 CA ASP A 49 -7.722 5.053 -29.171 1.00 0.00 C ATOM 810 C ASP A 49 -7.552 6.455 -28.592 1.00 0.00 C ATOM 811 O ASP A 49 -7.802 7.451 -29.272 1.00 0.00 O ATOM 812 CB ASP A 49 -9.197 4.657 -29.155 1.00 0.00 C ATOM 813 CG ASP A 49 -9.409 3.206 -29.539 1.00 0.00 C ATOM 814 OD1 ASP A 49 -8.453 2.582 -30.046 1.00 0.00 O ATOM 815 OD2 ASP A 49 -10.529 2.693 -29.332 1.00 0.00 O ATOM 0 H ASP A 49 -7.447 3.569 -27.713 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.365 5.065 -30.201 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.606 4.830 -28.160 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.750 5.297 -29.843 1.00 0.00 H new ATOM 820 N SER A 50 -7.130 6.526 -27.333 1.00 0.00 N ATOM 821 CA SER A 50 -6.933 7.806 -26.663 1.00 0.00 C ATOM 822 C SER A 50 -6.118 8.767 -27.526 1.00 0.00 C ATOM 823 O SER A 50 -5.193 8.356 -28.228 1.00 0.00 O ATOM 824 CB SER A 50 -6.228 7.595 -25.323 1.00 0.00 C ATOM 825 OG SER A 50 -4.849 7.331 -25.507 1.00 0.00 O ATOM 0 H SER A 50 -6.918 5.712 -26.757 1.00 0.00 H new ATOM 0 HA SER A 50 -7.915 8.248 -26.494 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.352 8.481 -24.700 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.692 6.764 -24.791 1.00 0.00 H new ATOM 0 HG SER A 50 -4.679 6.375 -25.378 1.00 0.00 H new ATOM 831 N LYS A 51 -6.466 10.048 -27.460 1.00 0.00 N ATOM 832 CA LYS A 51 -5.767 11.073 -28.225 1.00 0.00 C ATOM 833 C LYS A 51 -4.516 11.533 -27.484 1.00 0.00 C ATOM 834 O LYS A 51 -4.542 11.731 -26.270 1.00 0.00 O ATOM 835 CB LYS A 51 -6.691 12.265 -28.480 1.00 0.00 C ATOM 836 CG LYS A 51 -7.038 12.461 -29.944 1.00 0.00 C ATOM 837 CD LYS A 51 -6.552 13.806 -30.457 1.00 0.00 C ATOM 838 CE LYS A 51 -7.395 14.294 -31.624 1.00 0.00 C ATOM 839 NZ LYS A 51 -6.564 14.587 -32.825 1.00 0.00 N ATOM 0 H LYS A 51 -7.230 10.401 -26.883 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.468 10.645 -29.182 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.611 12.129 -27.912 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.215 13.170 -28.103 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.591 11.662 -30.535 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.118 12.389 -30.076 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.586 14.538 -29.650 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.511 13.723 -30.768 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.141 13.539 -31.874 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.937 15.193 -31.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.176 14.917 -33.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.869 15.325 -32.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.066 13.723 -33.122 1.00 0.00 H new ATOM 853 N THR A 52 -3.423 11.695 -28.221 1.00 0.00 N ATOM 854 CA THR A 52 -2.162 12.125 -27.627 1.00 0.00 C ATOM 855 C THR A 52 -1.898 13.602 -27.901 1.00 0.00 C ATOM 856 O THR A 52 -1.632 13.995 -29.037 1.00 0.00 O ATOM 857 CB THR A 52 -1.005 11.285 -28.168 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.172 9.921 -27.826 1.00 0.00 O ATOM 859 CG2 THR A 52 0.348 11.727 -27.653 1.00 0.00 C ATOM 0 H THR A 52 -3.384 11.536 -29.228 1.00 0.00 H new ATOM 0 HA THR A 52 -2.237 11.983 -26.549 1.00 0.00 H new ATOM 0 HB THR A 52 -1.027 11.426 -29.249 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.422 9.400 -28.183 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.124 11.089 -28.076 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.529 12.761 -27.946 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.367 11.649 -26.566 1.00 0.00 H new ATOM 867 N GLU A 53 -1.960 14.414 -26.851 1.00 0.00 N ATOM 868 CA GLU A 53 -1.714 15.846 -26.978 1.00 0.00 C ATOM 869 C GLU A 53 -0.304 16.186 -26.523 1.00 0.00 C ATOM 870 O GLU A 53 0.145 15.744 -25.464 1.00 0.00 O ATOM 871 CB GLU A 53 -2.732 16.643 -26.163 1.00 0.00 C ATOM 872 CG GLU A 53 -3.597 17.567 -27.004 1.00 0.00 C ATOM 873 CD GLU A 53 -2.905 18.875 -27.332 1.00 0.00 C ATOM 874 OE1 GLU A 53 -1.708 19.014 -27.003 1.00 0.00 O ATOM 875 OE2 GLU A 53 -3.562 19.762 -27.918 1.00 0.00 O ATOM 0 H GLU A 53 -2.178 14.105 -25.904 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.820 16.116 -28.029 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.376 15.949 -25.623 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.203 17.235 -25.416 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.868 17.061 -27.931 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.525 17.775 -26.471 1.00 0.00 H new ATOM 882 N THR A 54 0.391 16.973 -27.330 1.00 0.00 N ATOM 883 CA THR A 54 1.753 17.375 -27.019 1.00 0.00 C ATOM 884 C THR A 54 1.776 18.773 -26.410 1.00 0.00 C ATOM 885 O THR A 54 1.570 19.767 -27.105 1.00 0.00 O ATOM 886 CB THR A 54 2.611 17.331 -28.280 1.00 0.00 C ATOM 887 OG1 THR A 54 1.811 17.513 -29.435 1.00 0.00 O ATOM 888 CG2 THR A 54 3.362 16.028 -28.442 1.00 0.00 C ATOM 0 H THR A 54 0.032 17.347 -28.208 1.00 0.00 H new ATOM 0 HA THR A 54 2.163 16.678 -26.288 1.00 0.00 H new ATOM 0 HB THR A 54 3.334 18.139 -28.170 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.378 17.484 -30.234 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.953 16.060 -29.357 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.023 15.880 -27.588 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.652 15.203 -28.498 1.00 0.00 H new ATOM 896 N LEU A 55 2.018 18.836 -25.106 1.00 0.00 N ATOM 897 CA LEU A 55 2.057 20.106 -24.396 1.00 0.00 C ATOM 898 C LEU A 55 3.484 20.476 -24.005 1.00 0.00 C ATOM 899 O LEU A 55 4.015 19.981 -23.011 1.00 0.00 O ATOM 900 CB LEU A 55 1.167 20.032 -23.149 1.00 0.00 C ATOM 901 CG LEU A 55 -0.324 20.363 -23.355 1.00 0.00 C ATOM 902 CD1 LEU A 55 -0.630 21.749 -22.813 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.735 20.261 -24.822 1.00 0.00 C ATOM 0 H LEU A 55 2.190 18.020 -24.519 1.00 0.00 H new ATOM 0 HA LEU A 55 1.681 20.883 -25.062 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.240 19.026 -22.735 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.569 20.715 -22.400 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.906 19.624 -22.804 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.686 21.973 -22.963 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.400 21.782 -21.748 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.024 22.487 -23.338 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.793 20.502 -24.921 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.146 20.961 -25.414 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.559 19.246 -25.179 1.00 0.00 H new ATOM 915 N GLN A 56 4.098 21.350 -24.796 1.00 0.00 N ATOM 916 CA GLN A 56 5.463 21.792 -24.538 1.00 0.00 C ATOM 917 C GLN A 56 5.488 22.895 -23.486 1.00 0.00 C ATOM 918 O GLN A 56 4.811 23.914 -23.627 1.00 0.00 O ATOM 919 CB GLN A 56 6.111 22.293 -25.829 1.00 0.00 C ATOM 920 CG GLN A 56 6.999 21.261 -26.505 1.00 0.00 C ATOM 921 CD GLN A 56 8.148 21.891 -27.266 1.00 0.00 C ATOM 922 OE1 GLN A 56 8.173 21.881 -28.497 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.109 22.445 -26.535 1.00 0.00 N ATOM 0 H GLN A 56 3.670 21.767 -25.623 1.00 0.00 H new ATOM 0 HA GLN A 56 6.028 20.940 -24.161 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.328 22.598 -26.524 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.704 23.181 -25.607 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.396 20.580 -25.752 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.398 20.663 -27.190 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.048 22.431 -25.517 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.908 22.885 -26.992 1.00 0.00 H new ATOM 932 N ASN A 57 6.272 22.686 -22.430 1.00 0.00 N ATOM 933 CA ASN A 57 6.389 23.663 -21.345 1.00 0.00 C ATOM 934 C ASN A 57 5.030 24.256 -20.985 1.00 0.00 C ATOM 935 O ASN A 57 4.888 25.468 -20.834 1.00 0.00 O ATOM 936 CB ASN A 57 7.370 24.784 -21.720 1.00 0.00 C ATOM 937 CG ASN A 57 7.413 25.062 -23.211 1.00 0.00 C ATOM 938 OD1 ASN A 57 6.671 25.902 -23.721 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.289 24.355 -23.918 1.00 0.00 N ATOM 0 H ASN A 57 6.838 21.847 -22.301 1.00 0.00 H new ATOM 0 HA ASN A 57 6.776 23.137 -20.472 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.088 25.696 -21.194 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.369 24.514 -21.378 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.366 24.498 -24.925 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.884 23.669 -23.454 1.00 0.00 H new ATOM 946 N ALA A 58 4.036 23.385 -20.847 1.00 0.00 N ATOM 947 CA ALA A 58 2.686 23.810 -20.501 1.00 0.00 C ATOM 948 C ALA A 58 2.174 23.045 -19.289 1.00 0.00 C ATOM 949 O ALA A 58 2.658 21.954 -18.983 1.00 0.00 O ATOM 950 CB ALA A 58 1.748 23.619 -21.685 1.00 0.00 C ATOM 0 H ALA A 58 4.141 22.378 -20.970 1.00 0.00 H new ATOM 0 HA ALA A 58 2.716 24.870 -20.249 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.744 23.941 -21.409 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.101 24.213 -22.528 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.727 22.566 -21.966 1.00 0.00 H new ATOM 956 N HIS A 59 1.197 23.622 -18.599 1.00 0.00 N ATOM 957 CA HIS A 59 0.627 22.988 -17.418 1.00 0.00 C ATOM 958 C HIS A 59 -0.867 22.744 -17.593 1.00 0.00 C ATOM 959 O HIS A 59 -1.608 22.632 -16.615 1.00 0.00 O ATOM 960 CB HIS A 59 0.881 23.856 -16.184 1.00 0.00 C ATOM 961 CG HIS A 59 2.293 23.790 -15.696 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.856 24.750 -14.881 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.265 22.872 -15.919 1.00 0.00 C ATOM 964 CE1 HIS A 59 4.111 24.428 -14.624 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.384 23.293 -15.242 1.00 0.00 N ATOM 0 H HIS A 59 0.785 24.524 -18.836 1.00 0.00 H new ATOM 0 HA HIS A 59 1.112 22.022 -17.281 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.633 24.891 -16.419 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.212 23.542 -15.383 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.377 25.580 -14.531 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.176 21.977 -16.517 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.797 24.996 -14.013 1.00 0.00 H new ATOM 974 N SER A 60 -1.304 22.655 -18.846 1.00 0.00 N ATOM 975 CA SER A 60 -2.711 22.417 -19.157 1.00 0.00 C ATOM 976 C SER A 60 -2.979 22.630 -20.643 1.00 0.00 C ATOM 977 O SER A 60 -2.316 23.440 -21.292 1.00 0.00 O ATOM 978 CB SER A 60 -3.612 23.335 -18.329 1.00 0.00 C ATOM 979 OG SER A 60 -2.983 24.580 -18.079 1.00 0.00 O ATOM 0 H SER A 60 -0.702 22.744 -19.665 1.00 0.00 H new ATOM 0 HA SER A 60 -2.939 21.381 -18.904 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.552 23.499 -18.856 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.857 22.852 -17.383 1.00 0.00 H new ATOM 0 HG SER A 60 -3.581 25.148 -17.550 1.00 0.00 H new ATOM 985 N MET A 61 -3.954 21.902 -21.176 1.00 0.00 N ATOM 986 CA MET A 61 -4.304 22.015 -22.585 1.00 0.00 C ATOM 987 C MET A 61 -5.781 22.360 -22.755 1.00 0.00 C ATOM 988 O MET A 61 -6.437 22.809 -21.815 1.00 0.00 O ATOM 989 CB MET A 61 -3.989 20.710 -23.314 1.00 0.00 C ATOM 990 CG MET A 61 -4.938 19.578 -22.968 1.00 0.00 C ATOM 991 SD MET A 61 -5.724 18.860 -24.423 1.00 0.00 S ATOM 992 CE MET A 61 -5.710 17.120 -23.994 1.00 0.00 C ATOM 0 H MET A 61 -4.515 21.229 -20.654 1.00 0.00 H new ATOM 0 HA MET A 61 -3.710 22.820 -23.017 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.024 20.886 -24.389 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.970 20.406 -23.073 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.391 18.801 -22.435 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.707 19.948 -22.290 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.452 16.592 -24.593 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.722 16.705 -24.191 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.948 17.004 -22.937 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.296 22.139 -23.958 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.693 22.414 -24.258 1.00 0.00 C ATOM 1004 C ALA A 62 -8.352 21.200 -24.900 1.00 0.00 C ATOM 1005 O ALA A 62 -8.415 21.092 -26.124 1.00 0.00 O ATOM 1006 CB ALA A 62 -7.809 23.626 -25.171 1.00 0.00 C ATOM 0 H ALA A 62 -5.763 21.768 -24.745 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.210 22.631 -23.323 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.860 23.820 -25.387 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.373 24.495 -24.679 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.277 23.432 -26.102 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.836 20.282 -24.058 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.492 19.056 -24.528 1.00 0.00 C ATOM 1014 C LEU A 63 -10.352 19.320 -25.769 1.00 0.00 C ATOM 1015 O LEU A 63 -11.392 19.974 -25.685 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.358 18.469 -23.414 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.664 17.425 -22.535 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.441 17.210 -21.246 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -9.500 16.115 -23.289 1.00 0.00 C ATOM 0 H LEU A 63 -8.786 20.365 -23.043 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.714 18.343 -24.802 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.706 19.283 -22.778 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.241 18.015 -23.863 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.672 17.797 -22.278 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.932 16.465 -20.635 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.502 18.150 -20.697 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.447 16.861 -21.481 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.005 15.386 -22.648 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.480 15.737 -23.579 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.897 16.282 -24.182 1.00 0.00 H new ATOM 1031 N PRO A 64 -9.912 18.835 -26.945 1.00 0.00 N ATOM 1032 CA PRO A 64 -10.622 19.043 -28.199 1.00 0.00 C ATOM 1033 C PRO A 64 -11.651 17.958 -28.527 1.00 0.00 C ATOM 1034 O PRO A 64 -12.855 18.176 -28.395 1.00 0.00 O ATOM 1035 CB PRO A 64 -9.489 19.042 -29.226 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.395 18.208 -28.630 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.672 18.074 -27.149 1.00 0.00 C ATOM 0 HA PRO A 64 -11.218 19.955 -28.173 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -9.824 18.626 -30.176 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.142 20.056 -29.426 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.362 17.227 -29.103 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.424 18.675 -28.797 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.793 17.030 -26.859 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.854 18.478 -26.552 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.176 16.803 -28.990 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.063 15.712 -29.378 1.00 0.00 C ATOM 1047 C ALA A 65 -12.375 14.757 -28.231 1.00 0.00 C ATOM 1048 O ALA A 65 -11.487 14.099 -27.691 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.455 14.942 -30.539 1.00 0.00 C ATOM 0 H ALA A 65 -10.183 16.600 -29.105 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.008 16.165 -29.677 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.122 14.128 -30.825 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.316 15.612 -31.387 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.491 14.532 -30.239 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.657 14.668 -27.894 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.129 13.775 -26.848 1.00 0.00 C ATOM 1057 C LEU A 66 -15.532 13.277 -27.181 1.00 0.00 C ATOM 1058 O LEU A 66 -15.990 13.412 -28.316 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.107 14.469 -25.491 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.710 14.615 -24.910 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.323 16.070 -24.827 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -12.622 13.959 -23.541 1.00 0.00 C ATOM 0 H LEU A 66 -14.395 15.213 -28.339 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.459 12.917 -26.793 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.557 15.457 -25.589 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.726 13.905 -24.793 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.010 14.108 -25.574 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.320 16.156 -24.409 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.339 16.508 -25.825 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.030 16.599 -24.187 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.613 14.076 -23.145 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.334 14.432 -22.865 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -12.856 12.898 -23.630 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.212 12.698 -26.202 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.555 12.183 -26.411 1.00 0.00 C ATOM 1076 C GLU A 67 -18.411 12.393 -25.161 1.00 0.00 C ATOM 1077 O GLU A 67 -17.991 12.063 -24.052 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.491 10.696 -26.767 1.00 0.00 C ATOM 1079 CG GLU A 67 -18.843 10.005 -26.755 1.00 0.00 C ATOM 1080 CD GLU A 67 -18.759 8.550 -27.171 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.703 7.925 -26.937 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -19.750 8.036 -27.732 1.00 0.00 O ATOM 0 H GLU A 67 -15.854 12.574 -25.255 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.015 12.727 -27.236 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.047 10.587 -27.756 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.829 10.191 -26.063 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -19.270 10.069 -25.754 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.522 10.532 -27.425 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.626 12.946 -25.320 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.529 13.193 -24.194 1.00 0.00 C ATOM 1091 C PRO A 68 -21.110 11.903 -23.628 1.00 0.00 C ATOM 1092 O PRO A 68 -21.090 10.861 -24.285 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.634 14.057 -24.803 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.638 13.704 -26.249 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.214 13.371 -26.605 1.00 0.00 C ATOM 0 HA PRO A 68 -20.016 13.667 -23.357 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.599 13.848 -24.342 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.433 15.118 -24.655 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.295 12.856 -26.441 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -22.006 14.535 -26.851 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.162 12.578 -27.351 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.692 14.234 -27.019 1.00 0.00 H new ATOM 1103 N SER A 69 -21.623 11.977 -22.405 1.00 0.00 N ATOM 1104 CA SER A 69 -22.209 10.813 -21.752 1.00 0.00 C ATOM 1105 C SER A 69 -21.248 9.628 -21.791 1.00 0.00 C ATOM 1106 O SER A 69 -21.657 8.490 -22.015 1.00 0.00 O ATOM 1107 CB SER A 69 -23.530 10.437 -22.425 1.00 0.00 C ATOM 1108 OG SER A 69 -23.332 10.088 -23.783 1.00 0.00 O ATOM 0 H SER A 69 -21.645 12.830 -21.846 1.00 0.00 H new ATOM 0 HA SER A 69 -22.401 11.068 -20.710 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.986 9.601 -21.895 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.226 11.274 -22.360 1.00 0.00 H new ATOM 0 HG SER A 69 -22.381 9.913 -23.941 1.00 0.00 H new ATOM 1114 N THR A 70 -19.968 9.908 -21.572 1.00 0.00 N ATOM 1115 CA THR A 70 -18.944 8.871 -21.582 1.00 0.00 C ATOM 1116 C THR A 70 -17.817 9.217 -20.614 1.00 0.00 C ATOM 1117 O THR A 70 -17.447 10.382 -20.469 1.00 0.00 O ATOM 1118 CB THR A 70 -18.381 8.697 -22.995 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.375 8.197 -23.872 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.196 7.755 -23.062 1.00 0.00 C ATOM 0 H THR A 70 -19.615 10.846 -21.385 1.00 0.00 H new ATOM 0 HA THR A 70 -19.402 7.935 -21.263 1.00 0.00 H new ATOM 0 HB THR A 70 -18.049 9.691 -23.295 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.010 8.911 -24.087 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.849 7.679 -24.093 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.391 8.138 -22.435 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.495 6.769 -22.706 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.271 8.200 -19.957 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.184 8.407 -19.011 1.00 0.00 C ATOM 1130 C ARG A 71 -14.859 8.560 -19.748 1.00 0.00 C ATOM 1131 O ARG A 71 -14.587 7.843 -20.710 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.105 7.241 -18.024 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.524 7.613 -16.612 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.525 6.402 -15.695 1.00 0.00 C ATOM 1135 NE ARG A 71 -15.700 6.611 -14.509 1.00 0.00 N ATOM 1136 CZ ARG A 71 -15.311 5.630 -13.702 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -15.670 4.379 -13.956 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -14.562 5.897 -12.642 1.00 0.00 N ATOM 0 H ARG A 71 -17.563 7.228 -20.062 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.383 9.323 -18.455 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.739 6.430 -18.381 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.083 6.861 -18.003 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.845 8.369 -16.217 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.519 8.057 -16.632 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -17.548 6.179 -15.390 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.159 5.533 -16.242 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.406 7.562 -14.288 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.245 4.169 -14.772 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.371 3.627 -13.336 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.283 6.858 -12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.265 5.142 -12.024 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.044 9.509 -19.301 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.755 9.762 -19.934 1.00 0.00 C ATOM 1154 C TYR A 72 -11.608 9.653 -18.939 1.00 0.00 C ATOM 1155 O TYR A 72 -11.562 10.376 -17.944 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.750 11.143 -20.587 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.003 11.095 -22.073 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.296 11.096 -22.574 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -11.948 11.035 -22.974 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.533 11.038 -23.932 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.176 10.981 -24.334 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.470 10.981 -24.808 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.704 10.914 -26.161 1.00 0.00 O ATOM 0 H TYR A 72 -14.252 10.113 -18.506 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.608 8.999 -20.698 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.511 11.765 -20.115 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.788 11.622 -20.403 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.131 11.143 -21.890 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.933 11.031 -22.605 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.546 11.037 -24.307 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.345 10.939 -25.023 1.00 0.00 H new ATOM 0 HH TYR A 72 -14.641 10.676 -26.319 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.680 8.747 -19.226 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.519 8.534 -18.373 1.00 0.00 C ATOM 1175 C TRP A 73 -8.262 9.074 -19.042 1.00 0.00 C ATOM 1176 O TRP A 73 -7.860 8.593 -20.102 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.352 7.045 -18.077 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.546 6.442 -17.408 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.800 6.293 -17.933 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.597 5.908 -16.081 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.624 5.697 -17.008 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.909 5.451 -15.866 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.659 5.772 -15.055 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.306 4.867 -14.666 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -10.054 5.192 -13.863 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.367 4.746 -13.679 1.00 0.00 C ATOM 0 H TRP A 73 -10.711 8.145 -20.049 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.674 9.069 -17.436 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.159 6.515 -19.010 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.477 6.903 -17.443 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.098 6.598 -18.925 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.609 5.474 -17.149 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.643 6.114 -15.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.319 4.522 -14.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.338 5.082 -13.062 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.645 4.296 -12.737 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.647 10.080 -18.431 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.445 10.678 -18.995 1.00 0.00 C ATOM 1199 C ALA A 74 -5.286 10.681 -18.008 1.00 0.00 C ATOM 1200 O ALA A 74 -5.464 10.438 -16.814 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.735 12.091 -19.473 1.00 0.00 C ATOM 0 H ALA A 74 -7.958 10.495 -17.553 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.145 10.064 -19.844 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.828 12.527 -19.892 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.512 12.064 -20.237 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.074 12.697 -18.633 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.096 10.963 -18.529 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.885 11.010 -17.719 1.00 0.00 C ATOM 1209 C ARG A 75 -1.875 11.949 -18.361 1.00 0.00 C ATOM 1210 O ARG A 75 -2.144 12.531 -19.414 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.271 9.610 -17.541 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.935 8.515 -18.367 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.466 8.549 -19.811 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.439 7.218 -20.413 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.697 6.213 -19.957 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.901 6.387 -18.912 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -1.744 5.031 -20.555 1.00 0.00 N ATOM 0 H ARG A 75 -3.945 11.164 -19.518 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.151 11.382 -16.730 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.214 9.655 -17.805 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.325 9.335 -16.488 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.709 7.541 -17.932 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.018 8.636 -18.331 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.126 9.195 -20.391 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.469 8.987 -19.857 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.024 7.050 -21.232 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.855 7.296 -18.452 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.335 5.612 -18.568 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.349 4.893 -21.364 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.175 4.260 -20.206 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.717 12.107 -17.731 1.00 0.00 N ATOM 1232 CA VAL A 76 0.301 12.994 -18.267 1.00 0.00 C ATOM 1233 C VAL A 76 1.714 12.474 -18.019 1.00 0.00 C ATOM 1234 O VAL A 76 2.063 12.078 -16.905 1.00 0.00 O ATOM 1235 CB VAL A 76 0.154 14.423 -17.692 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.741 14.531 -16.289 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.795 15.436 -18.624 1.00 0.00 C ATOM 0 H VAL A 76 -0.464 11.639 -16.861 1.00 0.00 H new ATOM 0 HA VAL A 76 0.145 13.027 -19.345 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.911 14.642 -17.615 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.618 15.549 -15.921 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.224 13.840 -15.624 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.802 14.281 -16.318 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.683 16.436 -18.206 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.854 15.206 -18.738 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.308 15.393 -19.598 1.00 0.00 H new ATOM 1247 N ARG A 77 2.518 12.494 -19.074 1.00 0.00 N ATOM 1248 CA ARG A 77 3.904 12.046 -19.005 1.00 0.00 C ATOM 1249 C ARG A 77 4.836 13.237 -18.813 1.00 0.00 C ATOM 1250 O ARG A 77 4.679 14.261 -19.472 1.00 0.00 O ATOM 1251 CB ARG A 77 4.283 11.311 -20.290 1.00 0.00 C ATOM 1252 CG ARG A 77 4.008 9.821 -20.249 1.00 0.00 C ATOM 1253 CD ARG A 77 5.269 9.032 -19.940 1.00 0.00 C ATOM 1254 NE ARG A 77 5.204 7.668 -20.462 1.00 0.00 N ATOM 1255 CZ ARG A 77 5.317 7.367 -21.751 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.483 8.330 -22.650 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.260 6.102 -22.145 1.00 0.00 N ATOM 0 H ARG A 77 2.231 12.819 -19.997 1.00 0.00 H new ATOM 0 HA ARG A 77 4.005 11.370 -18.156 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.734 11.749 -21.123 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.343 11.470 -20.489 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.251 9.610 -19.494 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.601 9.498 -21.207 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.131 9.543 -20.369 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.421 9.000 -18.861 1.00 0.00 H new ATOM 0 HE ARG A 77 5.064 6.905 -19.800 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.524 9.305 -22.352 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.569 8.095 -23.639 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.129 5.359 -21.458 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.347 5.872 -23.135 1.00 0.00 H new ATOM 1271 N VAL A 78 5.809 13.103 -17.920 1.00 0.00 N ATOM 1272 CA VAL A 78 6.757 14.183 -17.668 1.00 0.00 C ATOM 1273 C VAL A 78 8.150 13.647 -17.370 1.00 0.00 C ATOM 1274 O VAL A 78 8.345 12.898 -16.412 1.00 0.00 O ATOM 1275 CB VAL A 78 6.312 15.072 -16.489 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.365 14.292 -15.181 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.181 16.318 -16.408 1.00 0.00 C ATOM 0 H VAL A 78 5.963 12.264 -17.361 1.00 0.00 H new ATOM 0 HA VAL A 78 6.784 14.780 -18.579 1.00 0.00 H new ATOM 0 HB VAL A 78 5.281 15.382 -16.659 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.048 14.936 -14.360 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.701 13.430 -15.244 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.385 13.952 -15.001 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.855 16.935 -15.571 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.221 16.027 -16.261 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.091 16.885 -17.334 1.00 0.00 H new ATOM 1287 N ARG A 79 9.123 14.052 -18.175 1.00 0.00 N ATOM 1288 CA ARG A 79 10.497 13.625 -17.968 1.00 0.00 C ATOM 1289 C ARG A 79 11.422 14.842 -17.858 1.00 0.00 C ATOM 1290 O ARG A 79 11.442 15.505 -16.822 1.00 0.00 O ATOM 1291 CB ARG A 79 10.950 12.673 -19.082 1.00 0.00 C ATOM 1292 CG ARG A 79 12.393 12.196 -18.937 1.00 0.00 C ATOM 1293 CD ARG A 79 12.723 11.802 -17.502 1.00 0.00 C ATOM 1294 NE ARG A 79 14.159 11.650 -17.290 1.00 0.00 N ATOM 1295 CZ ARG A 79 14.688 11.133 -16.185 1.00 0.00 C ATOM 1296 NH1 ARG A 79 13.901 10.705 -15.207 1.00 0.00 N ATOM 1297 NH2 ARG A 79 16.005 11.042 -16.058 1.00 0.00 N ATOM 0 H ARG A 79 8.986 14.672 -18.973 1.00 0.00 H new ATOM 0 HA ARG A 79 10.552 13.074 -17.029 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.290 11.805 -19.096 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.838 13.174 -20.043 1.00 0.00 H new ATOM 0 HG2 ARG A 79 12.561 11.343 -19.595 1.00 0.00 H new ATOM 0 HG3 ARG A 79 13.070 12.986 -19.261 1.00 0.00 H new ATOM 0 HD2 ARG A 79 12.335 12.559 -16.820 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.220 10.866 -17.259 1.00 0.00 H new ATOM 0 HE ARG A 79 14.791 11.957 -18.029 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.888 10.772 -15.302 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.309 10.309 -14.360 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.614 11.369 -16.809 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.409 10.645 -15.210 1.00 0.00 H new ATOM 1311 N THR A 80 12.180 15.149 -18.913 1.00 0.00 N ATOM 1312 CA THR A 80 13.074 16.298 -18.876 1.00 0.00 C ATOM 1313 C THR A 80 13.482 16.746 -20.275 1.00 0.00 C ATOM 1314 O THR A 80 14.602 16.489 -20.717 1.00 0.00 O ATOM 1315 CB THR A 80 14.316 15.978 -18.050 1.00 0.00 C ATOM 1316 OG1 THR A 80 14.143 14.775 -17.322 1.00 0.00 O ATOM 1317 CG2 THR A 80 14.671 17.068 -17.063 1.00 0.00 C ATOM 0 H THR A 80 12.191 14.625 -19.788 1.00 0.00 H new ATOM 0 HA THR A 80 12.529 17.118 -18.409 1.00 0.00 H new ATOM 0 HB THR A 80 15.127 15.884 -18.772 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.952 14.589 -16.801 1.00 0.00 H new ATOM 0 HG21 THR A 80 15.563 16.779 -16.507 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.863 17.997 -17.600 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.843 17.215 -16.369 1.00 0.00 H new ATOM 1325 N SER A 81 12.583 17.431 -20.965 1.00 0.00 N ATOM 1326 CA SER A 81 12.876 17.926 -22.303 1.00 0.00 C ATOM 1327 C SER A 81 13.891 19.061 -22.222 1.00 0.00 C ATOM 1328 O SER A 81 13.561 20.223 -22.462 1.00 0.00 O ATOM 1329 CB SER A 81 11.599 18.407 -22.992 1.00 0.00 C ATOM 1330 OG SER A 81 10.868 19.286 -22.158 1.00 0.00 O ATOM 0 H SER A 81 11.649 17.656 -20.624 1.00 0.00 H new ATOM 0 HA SER A 81 13.296 17.112 -22.893 1.00 0.00 H new ATOM 0 HB2 SER A 81 11.853 18.913 -23.923 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.979 17.550 -23.254 1.00 0.00 H new ATOM 0 HG SER A 81 10.558 20.053 -22.683 1.00 0.00 H new ATOM 1336 N ARG A 82 15.124 18.713 -21.864 1.00 0.00 N ATOM 1337 CA ARG A 82 16.196 19.693 -21.725 1.00 0.00 C ATOM 1338 C ARG A 82 16.784 20.086 -23.077 1.00 0.00 C ATOM 1339 O ARG A 82 17.994 20.002 -23.281 1.00 0.00 O ATOM 1340 CB ARG A 82 17.298 19.134 -20.824 1.00 0.00 C ATOM 1341 CG ARG A 82 17.955 20.181 -19.941 1.00 0.00 C ATOM 1342 CD ARG A 82 19.422 19.864 -19.697 1.00 0.00 C ATOM 1343 NE ARG A 82 19.885 20.362 -18.405 1.00 0.00 N ATOM 1344 CZ ARG A 82 21.161 20.361 -18.029 1.00 0.00 C ATOM 1345 NH1 ARG A 82 22.094 19.887 -18.843 1.00 0.00 N ATOM 1346 NH2 ARG A 82 21.505 20.833 -16.838 1.00 0.00 N ATOM 0 H ARG A 82 15.406 17.753 -21.664 1.00 0.00 H new ATOM 0 HA ARG A 82 15.769 20.589 -21.274 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.877 18.352 -20.193 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.061 18.666 -21.446 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.867 21.161 -20.410 1.00 0.00 H new ATOM 0 HG3 ARG A 82 17.430 20.235 -18.987 1.00 0.00 H new ATOM 0 HD2 ARG A 82 19.572 18.785 -19.744 1.00 0.00 H new ATOM 0 HD3 ARG A 82 20.024 20.304 -20.492 1.00 0.00 H new ATOM 0 HE ARG A 82 19.191 20.731 -17.755 1.00 0.00 H new ATOM 0 HH11 ARG A 82 21.834 19.522 -19.759 1.00 0.00 H new ATOM 0 HH12 ARG A 82 23.072 19.887 -18.553 1.00 0.00 H new ATOM 0 HH21 ARG A 82 20.790 21.198 -16.208 1.00 0.00 H new ATOM 0 HH22 ARG A 82 22.484 20.831 -16.552 1.00 0.00 H new ATOM 1360 N THR A 83 15.923 20.527 -23.990 1.00 0.00 N ATOM 1361 CA THR A 83 16.358 20.947 -25.318 1.00 0.00 C ATOM 1362 C THR A 83 16.933 19.774 -26.114 1.00 0.00 C ATOM 1363 O THR A 83 16.346 19.343 -27.108 1.00 0.00 O ATOM 1364 CB THR A 83 17.383 22.082 -25.207 1.00 0.00 C ATOM 1365 OG1 THR A 83 18.687 21.575 -24.986 1.00 0.00 O ATOM 1366 CG2 THR A 83 17.075 23.053 -24.086 1.00 0.00 C ATOM 0 H THR A 83 14.918 20.603 -23.834 1.00 0.00 H new ATOM 0 HA THR A 83 15.486 21.315 -25.858 1.00 0.00 H new ATOM 0 HB THR A 83 17.327 22.610 -26.159 1.00 0.00 H new ATOM 0 HG1 THR A 83 18.780 21.311 -24.047 1.00 0.00 H new ATOM 0 HG21 THR A 83 17.837 23.832 -24.060 1.00 0.00 H new ATOM 0 HG22 THR A 83 16.098 23.506 -24.255 1.00 0.00 H new ATOM 0 HG23 THR A 83 17.068 22.520 -23.135 1.00 0.00 H new ATOM 1374 N GLY A 84 18.075 19.254 -25.675 1.00 0.00 N ATOM 1375 CA GLY A 84 18.692 18.135 -26.361 1.00 0.00 C ATOM 1376 C GLY A 84 18.101 16.808 -25.931 1.00 0.00 C ATOM 1377 O GLY A 84 17.980 15.882 -26.733 1.00 0.00 O ATOM 0 H GLY A 84 18.584 19.588 -24.856 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.566 18.256 -27.437 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.764 18.135 -26.163 1.00 0.00 H new ATOM 1381 N TYR A 85 17.723 16.723 -24.661 1.00 0.00 N ATOM 1382 CA TYR A 85 17.127 15.509 -24.116 1.00 0.00 C ATOM 1383 C TYR A 85 18.124 14.355 -24.104 1.00 0.00 C ATOM 1384 O TYR A 85 19.299 14.528 -24.428 1.00 0.00 O ATOM 1385 CB TYR A 85 15.893 15.117 -24.931 1.00 0.00 C ATOM 1386 CG TYR A 85 14.644 14.940 -24.098 1.00 0.00 C ATOM 1387 CD1 TYR A 85 14.718 14.551 -22.766 1.00 0.00 C ATOM 1388 CD2 TYR A 85 13.388 15.161 -24.648 1.00 0.00 C ATOM 1389 CE1 TYR A 85 13.577 14.387 -22.006 1.00 0.00 C ATOM 1390 CE2 TYR A 85 12.241 15.001 -23.894 1.00 0.00 C ATOM 1391 CZ TYR A 85 12.340 14.613 -22.573 1.00 0.00 C ATOM 1392 OH TYR A 85 11.201 14.449 -21.816 1.00 0.00 O ATOM 0 H TYR A 85 17.819 17.483 -23.987 1.00 0.00 H new ATOM 0 HA TYR A 85 16.834 15.716 -23.087 1.00 0.00 H new ATOM 0 HB2 TYR A 85 15.710 15.881 -25.686 1.00 0.00 H new ATOM 0 HB3 TYR A 85 16.100 14.188 -25.462 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.684 14.374 -22.318 1.00 0.00 H new ATOM 0 HD2 TYR A 85 13.306 15.463 -25.682 1.00 0.00 H new ATOM 0 HE1 TYR A 85 13.653 14.083 -20.972 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.272 15.179 -24.336 1.00 0.00 H new ATOM 0 HH TYR A 85 10.413 14.648 -22.363 1.00 0.00 H new ATOM 1402 N ASN A 86 17.640 13.176 -23.722 1.00 0.00 N ATOM 1403 CA ASN A 86 18.478 11.982 -23.661 1.00 0.00 C ATOM 1404 C ASN A 86 17.914 10.875 -24.547 1.00 0.00 C ATOM 1405 O ASN A 86 18.661 10.097 -25.138 1.00 0.00 O ATOM 1406 CB ASN A 86 18.594 11.476 -22.218 1.00 0.00 C ATOM 1407 CG ASN A 86 18.520 12.596 -21.198 1.00 0.00 C ATOM 1408 OD1 ASN A 86 19.518 12.948 -20.570 1.00 0.00 O ATOM 1409 ND2 ASN A 86 17.331 13.160 -21.031 1.00 0.00 N ATOM 0 H ASN A 86 16.669 13.022 -23.449 1.00 0.00 H new ATOM 0 HA ASN A 86 19.469 12.253 -24.025 1.00 0.00 H new ATOM 0 HB2 ASN A 86 17.796 10.759 -22.023 1.00 0.00 H new ATOM 0 HB3 ASN A 86 19.537 10.943 -22.099 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.216 13.919 -20.359 1.00 0.00 H new ATOM 0 HD22 ASN A 86 16.531 12.835 -21.574 1.00 0.00 H new ATOM 1416 N GLY A 87 16.588 10.810 -24.628 1.00 0.00 N ATOM 1417 CA GLY A 87 15.939 9.795 -25.435 1.00 0.00 C ATOM 1418 C GLY A 87 15.058 8.875 -24.609 1.00 0.00 C ATOM 1419 O GLY A 87 14.697 7.787 -25.056 1.00 0.00 O ATOM 0 H GLY A 87 15.951 11.445 -24.147 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.336 10.277 -26.204 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.697 9.203 -25.948 1.00 0.00 H new ATOM 1423 N ILE A 88 14.713 9.312 -23.400 1.00 0.00 N ATOM 1424 CA ILE A 88 13.871 8.517 -22.513 1.00 0.00 C ATOM 1425 C ILE A 88 12.680 9.342 -22.022 1.00 0.00 C ATOM 1426 O ILE A 88 12.574 10.530 -22.321 1.00 0.00 O ATOM 1427 CB ILE A 88 14.677 7.956 -21.298 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.542 8.852 -20.055 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.148 7.792 -21.662 1.00 0.00 C ATOM 1430 CD1 ILE A 88 15.020 10.269 -20.279 1.00 0.00 C ATOM 0 H ILE A 88 15.003 10.210 -23.014 1.00 0.00 H new ATOM 0 HA ILE A 88 13.502 7.667 -23.088 1.00 0.00 H new ATOM 0 HB ILE A 88 14.255 6.981 -21.054 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.497 8.874 -19.744 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.109 8.411 -19.235 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.694 7.400 -20.804 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.241 7.099 -22.498 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.563 8.759 -21.945 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.896 10.844 -19.362 1.00 0.00 H new ATOM 0 HD12 ILE A 88 16.073 10.258 -20.560 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.436 10.728 -21.077 1.00 0.00 H new ATOM 1442 N TRP A 89 11.805 8.708 -21.250 1.00 0.00 N ATOM 1443 CA TRP A 89 10.641 9.392 -20.707 1.00 0.00 C ATOM 1444 C TRP A 89 10.235 8.808 -19.357 1.00 0.00 C ATOM 1445 O TRP A 89 10.842 7.853 -18.873 1.00 0.00 O ATOM 1446 CB TRP A 89 9.472 9.299 -21.679 1.00 0.00 C ATOM 1447 CG TRP A 89 9.467 10.387 -22.704 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.336 10.536 -23.743 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.548 11.479 -22.787 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.012 11.656 -24.471 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.916 12.252 -23.902 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.448 11.876 -22.024 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.222 13.400 -24.274 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.758 13.015 -22.393 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.148 13.765 -23.510 1.00 0.00 C ATOM 0 H TRP A 89 11.880 7.725 -20.988 1.00 0.00 H new ATOM 0 HA TRP A 89 10.909 10.439 -20.562 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.505 8.334 -22.184 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.538 9.334 -21.118 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.159 9.872 -23.962 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.506 11.989 -25.299 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.142 11.303 -21.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.521 13.981 -25.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.905 13.332 -21.811 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.589 14.650 -23.774 1.00 0.00 H new ATOM 1466 N SER A 90 9.201 9.392 -18.758 1.00 0.00 N ATOM 1467 CA SER A 90 8.705 8.938 -17.464 1.00 0.00 C ATOM 1468 C SER A 90 7.679 7.820 -17.637 1.00 0.00 C ATOM 1469 O SER A 90 7.453 7.339 -18.747 1.00 0.00 O ATOM 1470 CB SER A 90 8.085 10.107 -16.700 1.00 0.00 C ATOM 1471 OG SER A 90 7.154 10.808 -17.505 1.00 0.00 O ATOM 0 H SER A 90 8.690 10.183 -19.150 1.00 0.00 H new ATOM 0 HA SER A 90 9.546 8.545 -16.893 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.588 9.736 -15.803 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.870 10.787 -16.371 1.00 0.00 H new ATOM 0 HG SER A 90 6.277 10.376 -17.442 1.00 0.00 H new ATOM 1477 N GLU A 91 7.063 7.410 -16.531 1.00 0.00 N ATOM 1478 CA GLU A 91 6.064 6.348 -16.563 1.00 0.00 C ATOM 1479 C GLU A 91 4.718 6.870 -17.060 1.00 0.00 C ATOM 1480 O GLU A 91 4.402 6.760 -18.243 1.00 0.00 O ATOM 1481 CB GLU A 91 5.903 5.732 -15.170 1.00 0.00 C ATOM 1482 CG GLU A 91 6.779 4.513 -14.940 1.00 0.00 C ATOM 1483 CD GLU A 91 6.208 3.258 -15.568 1.00 0.00 C ATOM 1484 OE1 GLU A 91 5.174 2.762 -15.071 1.00 0.00 O ATOM 1485 OE2 GLU A 91 6.793 2.770 -16.558 1.00 0.00 O ATOM 0 H GLU A 91 7.238 7.797 -15.604 1.00 0.00 H new ATOM 0 HA GLU A 91 6.410 5.582 -17.258 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.139 6.486 -14.419 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.860 5.452 -15.024 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.771 4.701 -15.350 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.901 4.355 -13.868 1.00 0.00 H new ATOM 1492 N TRP A 92 3.931 7.432 -16.147 1.00 0.00 N ATOM 1493 CA TRP A 92 2.615 7.964 -16.486 1.00 0.00 C ATOM 1494 C TRP A 92 1.894 8.442 -15.229 1.00 0.00 C ATOM 1495 O TRP A 92 1.895 7.756 -14.206 1.00 0.00 O ATOM 1496 CB TRP A 92 1.771 6.890 -17.178 1.00 0.00 C ATOM 1497 CG TRP A 92 1.782 6.969 -18.674 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.174 5.989 -19.542 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.372 8.079 -19.484 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.034 6.420 -20.838 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.544 7.700 -20.830 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.876 9.356 -19.203 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.237 8.549 -21.889 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.571 10.198 -20.257 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.752 9.791 -21.586 1.00 0.00 C ATOM 0 H TRP A 92 4.183 7.531 -15.164 1.00 0.00 H new ATOM 0 HA TRP A 92 2.752 8.807 -17.163 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.133 5.908 -16.875 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.742 6.972 -16.829 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.541 5.016 -19.251 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.258 5.876 -21.671 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.734 9.679 -18.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.377 8.238 -22.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.187 11.186 -20.052 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.503 10.472 -22.387 1.00 0.00 H new ATOM 1516 N SER A 93 1.279 9.616 -15.309 1.00 0.00 N ATOM 1517 CA SER A 93 0.555 10.173 -14.170 1.00 0.00 C ATOM 1518 C SER A 93 -0.603 9.263 -13.766 1.00 0.00 C ATOM 1519 O SER A 93 -1.108 8.488 -14.577 1.00 0.00 O ATOM 1520 CB SER A 93 0.030 11.569 -14.508 1.00 0.00 C ATOM 1521 OG SER A 93 -1.154 11.496 -15.282 1.00 0.00 O ATOM 0 H SER A 93 1.266 10.199 -16.146 1.00 0.00 H new ATOM 0 HA SER A 93 1.246 10.247 -13.330 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.167 12.119 -13.588 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.792 12.125 -15.055 1.00 0.00 H new ATOM 0 HG SER A 93 -1.557 12.387 -15.348 1.00 0.00 H new ATOM 1527 N GLU A 94 -1.016 9.362 -12.506 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.113 8.547 -11.993 1.00 0.00 C ATOM 1529 C GLU A 94 -3.373 8.734 -12.832 1.00 0.00 C ATOM 1530 O GLU A 94 -3.870 9.851 -12.985 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.400 8.899 -10.532 1.00 0.00 C ATOM 1532 CG GLU A 94 -3.622 8.196 -9.966 1.00 0.00 C ATOM 1533 CD GLU A 94 -3.505 6.685 -10.027 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -2.457 6.154 -9.604 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -4.460 6.035 -10.499 1.00 0.00 O ATOM 0 H GLU A 94 -0.608 9.998 -11.821 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.812 7.501 -12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.530 8.641 -9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.539 9.977 -10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.767 8.504 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -4.507 8.511 -10.519 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.885 7.633 -13.372 1.00 0.00 N ATOM 1543 CA ALA A 95 -5.086 7.671 -14.197 1.00 0.00 C ATOM 1544 C ALA A 95 -6.204 8.447 -13.509 1.00 0.00 C ATOM 1545 O ALA A 95 -6.490 8.232 -12.332 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.543 6.256 -14.519 1.00 0.00 C ATOM 0 H ALA A 95 -3.486 6.702 -13.253 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.844 8.187 -15.126 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.441 6.295 -15.136 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.754 5.733 -15.059 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.762 5.725 -13.593 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.835 9.349 -14.256 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.926 10.160 -13.726 1.00 0.00 C ATOM 1554 C ARG A 96 -9.138 10.102 -14.650 1.00 0.00 C ATOM 1555 O ARG A 96 -9.033 10.379 -15.844 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.474 11.609 -13.546 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.747 11.861 -12.236 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.656 11.633 -11.040 1.00 0.00 C ATOM 1559 NE ARG A 96 -7.644 10.240 -10.599 1.00 0.00 N ATOM 1560 CZ ARG A 96 -8.476 9.748 -9.686 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -9.382 10.531 -9.118 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -8.402 8.469 -9.340 1.00 0.00 N ATOM 0 H ARG A 96 -6.608 9.537 -15.233 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.210 9.756 -12.754 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -6.819 11.882 -14.374 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.345 12.262 -13.600 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.881 11.202 -12.167 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.371 12.884 -12.219 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.341 12.276 -10.218 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.675 11.922 -11.299 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.959 9.609 -11.015 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.443 11.515 -9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -10.019 10.150 -8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.706 7.863 -9.775 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -9.041 8.092 -8.639 1.00 0.00 H new ATOM 1576 N SER A 97 -10.287 9.733 -14.091 1.00 0.00 N ATOM 1577 CA SER A 97 -11.516 9.631 -14.871 1.00 0.00 C ATOM 1578 C SER A 97 -12.467 10.786 -14.563 1.00 0.00 C ATOM 1579 O SER A 97 -12.620 11.187 -13.409 1.00 0.00 O ATOM 1580 CB SER A 97 -12.206 8.293 -14.592 1.00 0.00 C ATOM 1581 OG SER A 97 -13.174 8.419 -13.564 1.00 0.00 O ATOM 0 H SER A 97 -10.393 9.500 -13.104 1.00 0.00 H new ATOM 0 HA SER A 97 -11.250 9.686 -15.927 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.684 7.931 -15.502 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.462 7.550 -14.305 1.00 0.00 H new ATOM 0 HG SER A 97 -12.754 8.246 -12.696 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.110 11.310 -15.603 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.052 12.412 -15.443 1.00 0.00 C ATOM 1589 C TRP A 98 -15.280 12.211 -16.329 1.00 0.00 C ATOM 1590 O TRP A 98 -15.310 11.309 -17.167 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.370 13.751 -15.752 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.232 14.054 -17.214 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.182 14.596 -18.030 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.074 13.843 -18.033 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.684 14.737 -19.303 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.392 14.281 -19.328 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.798 13.327 -17.796 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.481 14.219 -20.375 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.895 13.266 -18.839 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.242 13.712 -20.116 1.00 0.00 C ATOM 0 H TRP A 98 -12.996 10.989 -16.564 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.386 12.429 -14.405 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -13.939 14.552 -15.280 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.379 13.753 -15.298 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.179 14.873 -17.721 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -14.193 15.119 -20.100 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.521 12.981 -16.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.746 14.562 -21.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.906 12.868 -18.665 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.516 13.654 -20.913 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.295 13.048 -16.133 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.526 12.950 -16.912 1.00 0.00 C ATOM 1613 C ASP A 99 -17.635 14.083 -17.929 1.00 0.00 C ATOM 1614 O ASP A 99 -17.324 15.236 -17.627 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.744 12.968 -15.985 1.00 0.00 C ATOM 1616 CG ASP A 99 -20.043 12.743 -16.735 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -20.183 11.679 -17.373 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -20.919 13.632 -16.683 1.00 0.00 O ATOM 0 H ASP A 99 -16.290 13.800 -15.444 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.498 12.006 -17.456 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -18.629 12.197 -15.223 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -18.788 13.925 -15.466 1.00 0.00 H new ATOM 1623 N THR A 100 -18.087 13.744 -19.133 1.00 0.00 N ATOM 1624 CA THR A 100 -18.245 14.729 -20.197 1.00 0.00 C ATOM 1625 C THR A 100 -19.665 15.285 -20.226 1.00 0.00 C ATOM 1626 O THR A 100 -20.116 15.812 -21.243 1.00 0.00 O ATOM 1627 CB THR A 100 -17.910 14.104 -21.548 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.198 12.717 -21.547 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.461 14.274 -21.934 1.00 0.00 C ATOM 0 H THR A 100 -18.350 12.794 -19.396 1.00 0.00 H new ATOM 0 HA THR A 100 -17.557 15.551 -19.997 1.00 0.00 H new ATOM 0 HB THR A 100 -18.529 14.630 -22.274 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.382 12.420 -22.463 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.286 13.808 -22.904 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.222 15.336 -21.993 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.827 13.801 -21.184 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.363 15.162 -19.104 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.732 15.651 -18.998 1.00 0.00 C ATOM 1639 C GLU A 101 -22.642 14.943 -19.995 1.00 0.00 C ATOM 1640 O GLU A 101 -22.505 15.115 -21.207 1.00 0.00 O ATOM 1641 CB GLU A 101 -21.775 17.162 -19.234 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.855 17.978 -17.952 1.00 0.00 C ATOM 1643 CD GLU A 101 -23.140 17.736 -17.185 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.210 16.733 -16.444 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -24.076 18.552 -17.323 1.00 0.00 O ATOM 0 H GLU A 101 -20.003 14.728 -18.254 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.091 15.437 -17.991 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -20.886 17.460 -19.789 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -22.635 17.399 -19.860 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -21.005 17.732 -17.316 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -21.775 19.038 -18.195 1.00 0.00 H new ATOM 1652 N SER A 102 -23.572 14.145 -19.478 1.00 0.00 N ATOM 1653 CA SER A 102 -24.506 13.411 -20.324 1.00 0.00 C ATOM 1654 C SER A 102 -25.454 14.364 -21.045 1.00 0.00 C ATOM 1655 O SER A 102 -26.303 14.979 -20.365 1.00 0.00 O ATOM 1656 CB SER A 102 -25.308 12.413 -19.487 1.00 0.00 C ATOM 1657 OG SER A 102 -26.285 11.752 -20.272 1.00 0.00 O ATOM 1658 OXT SER A 102 -25.339 14.490 -22.282 1.00 0.00 O ATOM 0 H SER A 102 -23.698 13.991 -18.478 1.00 0.00 H new ATOM 0 HA SER A 102 -23.929 12.868 -21.072 1.00 0.00 H new ATOM 0 HB2 SER A 102 -24.633 11.678 -19.048 1.00 0.00 H new ATOM 0 HB3 SER A 102 -25.793 12.934 -18.662 1.00 0.00 H new ATOM 0 HG SER A 102 -26.781 11.119 -19.712 1.00 0.00 H new TER 1664 SER A 102