USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 824 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 116 ASN : amide:sc= -1.03 K(o=-6.4,f=-10!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -5.39 K(o=-6.4,f=-10!) USER MOD Set 2.1: A 71 CYS SG : rot 130:sc= 0.547 USER MOD Set 2.2: A 102 CYS SG : rot -109:sc= -6.57! USER MOD Set 3.1: A 62 SER OG : rot 160:sc= 0.245 USER MOD Set 3.2: A 63 CYS SG : rot -111:sc= 1.17 USER MOD Set 3.3: A 68 CYS SG : rot 174:sc= 0.839 USER MOD Set 3.4: A 70 ASN : amide:sc= -0.754 K(o=1.5,f=0.48!) USER MOD Set 4.1: A 7 ASN : amide:sc= -0.714 K(o=-1.2,f=-3.5!) USER MOD Set 4.2: A 10 THR OG1 : rot -170:sc= -0.491 USER MOD Set 5.1: A 5 TYR OH : rot 93:sc= 0.737! USER MOD Set 5.2: A 57 TYR OH : rot -93:sc= 1.73 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 26:sc= -2.38! USER MOD Single : A 14 GLN : amide:sc=-0.00956 X(o=-0.0096,f=-0.14) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.186) USER MOD Single : A 37 TYR OH : rot 66:sc= 0.482 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -157:sc= -6.34! (180deg=-7.19!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.411 K(o=-0.41,f=-3!) USER MOD Single : A 73 SER OG : rot -86:sc= 1.21 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 143:sc= -0.181 (180deg=-1.76!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -1.9! C(o=-1.9!,f=-3.3!) USER MOD Single : A 86 GLN : amide:sc= -0.958 K(o=-0.96,f=-2.8!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.046 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -18.472 -16.225 11.181 1.00 3.92 N ATOM 2 CA PRO A 1 -18.747 -15.651 12.527 1.00 3.44 C ATOM 3 C PRO A 1 -17.875 -14.415 12.771 1.00 3.50 C ATOM 4 O PRO A 1 -17.069 -14.038 11.943 1.00 4.94 O ATOM 5 CB PRO A 1 -18.379 -16.777 13.488 1.00 2.00 C ATOM 6 CG PRO A 1 -17.396 -17.613 12.737 1.00 4.99 C ATOM 7 CD PRO A 1 -17.752 -17.498 11.279 1.00 3.38 C ATOM 0 H2 PRO A 1 -17.923 -15.563 10.633 1.00 3.92 H new ATOM 0 H3 PRO A 1 -19.351 -16.367 10.684 1.00 3.92 H new ATOM 0 HA PRO A 1 -19.779 -15.322 12.646 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.944 -16.386 14.408 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -19.257 -17.358 13.772 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -16.378 -17.266 12.915 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -17.441 -18.651 13.065 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -16.861 -17.501 10.651 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -18.374 -18.333 10.954 1.00 3.38 H new ATOM 17 N THR A 2 -18.033 -13.782 13.902 1.00 3.08 N ATOM 18 CA THR A 2 -17.216 -12.571 14.200 1.00 2.08 C ATOM 19 C THR A 2 -15.970 -12.958 15.000 1.00 2.52 C ATOM 20 O THR A 2 -15.965 -13.935 15.723 1.00 2.28 O ATOM 21 CB THR A 2 -18.138 -11.671 15.030 1.00 3.47 C ATOM 22 OG1 THR A 2 -19.059 -11.015 14.168 1.00 3.73 O ATOM 23 CG2 THR A 2 -17.307 -10.627 15.778 1.00 3.09 C ATOM 0 H THR A 2 -18.692 -14.051 14.632 1.00 3.08 H new ATOM 0 HA THR A 2 -16.865 -12.072 13.297 1.00 2.08 H new ATOM 0 HB THR A 2 -18.682 -12.280 15.751 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.650 -10.440 14.698 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.967 -9.990 16.366 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.602 -11.130 16.441 1.00 3.09 H new ATOM 0 HG23 THR A 2 -16.758 -10.017 15.061 1.00 3.09 H new ATOM 31 N VAL A 3 -14.913 -12.203 14.873 1.00 10.00 N ATOM 32 CA VAL A 3 -13.669 -12.533 15.626 1.00 10.00 C ATOM 33 C VAL A 3 -12.959 -11.249 16.066 1.00 10.00 C ATOM 34 O VAL A 3 -13.311 -10.161 15.655 1.00 10.00 O ATOM 35 CB VAL A 3 -12.804 -13.314 14.638 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.379 -13.428 15.183 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.389 -14.715 14.444 1.00 10.00 C ATOM 0 H VAL A 3 -14.857 -11.374 14.282 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.873 -13.107 16.530 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.786 -12.791 13.682 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -10.763 -13.985 14.477 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -10.961 -12.431 15.321 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -11.396 -13.949 16.140 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -12.772 -15.272 13.739 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -13.409 -15.237 15.401 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.404 -14.635 14.054 1.00 10.00 H new ATOM 47 N GLU A 4 -11.960 -11.368 16.898 1.00 10.00 N ATOM 48 CA GLU A 4 -11.227 -10.155 17.365 1.00 10.00 C ATOM 49 C GLU A 4 -9.723 -10.434 17.415 1.00 10.00 C ATOM 50 O GLU A 4 -9.268 -11.303 18.132 1.00 10.00 O ATOM 51 CB GLU A 4 -11.770 -9.882 18.767 1.00 50.00 C ATOM 52 CG GLU A 4 -12.339 -8.463 18.827 1.00 50.00 C ATOM 53 CD GLU A 4 -13.826 -8.525 19.179 1.00 50.00 C ATOM 54 OE1 GLU A 4 -14.617 -8.774 18.285 1.00 50.00 O ATOM 55 OE2 GLU A 4 -14.149 -8.324 20.339 1.00 50.00 O ATOM 0 H GLU A 4 -11.619 -12.252 17.275 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.369 -9.303 16.700 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.545 -10.607 19.016 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -10.976 -9.998 19.505 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -11.802 -7.876 19.572 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -12.202 -7.964 17.868 1.00 50.00 H new ATOM 62 N TYR A 5 -8.947 -9.707 16.657 1.00 10.00 N ATOM 63 CA TYR A 5 -7.473 -9.940 16.663 1.00 10.00 C ATOM 64 C TYR A 5 -6.755 -8.849 17.468 1.00 10.00 C ATOM 65 O TYR A 5 -7.021 -7.673 17.316 1.00 10.00 O ATOM 66 CB TYR A 5 -7.059 -9.880 15.192 1.00 10.00 C ATOM 67 CG TYR A 5 -7.488 -8.559 14.599 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.692 -7.421 14.775 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.681 -8.473 13.869 1.00 10.00 C ATOM 70 CE1 TYR A 5 -7.087 -6.198 14.223 1.00 50.00 C ATOM 71 CE2 TYR A 5 -9.076 -7.247 13.317 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.279 -6.111 13.494 1.00 50.00 C ATOM 73 OH TYR A 5 -8.668 -4.904 12.948 1.00 50.00 O ATOM 0 H TYR A 5 -9.268 -8.964 16.036 1.00 10.00 H new ATOM 0 HA TYR A 5 -7.212 -10.891 17.126 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -5.979 -9.997 15.103 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.515 -10.703 14.641 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -5.772 -7.487 15.337 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -9.295 -9.351 13.732 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -6.472 -5.321 14.359 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -9.996 -7.179 12.755 1.00 50.00 H new ATOM 0 HH TYR A 5 -8.339 -4.840 12.027 1.00 50.00 H new ATOM 83 N LEU A 6 -5.842 -9.236 18.319 1.00 10.00 N ATOM 84 CA LEU A 6 -5.097 -8.228 19.131 1.00 10.00 C ATOM 85 C LEU A 6 -3.588 -8.490 19.027 1.00 10.00 C ATOM 86 O LEU A 6 -3.106 -9.549 19.372 1.00 10.00 O ATOM 87 CB LEU A 6 -5.600 -8.431 20.568 1.00 12.50 C ATOM 88 CG LEU A 6 -4.711 -7.675 21.571 1.00 12.50 C ATOM 89 CD1 LEU A 6 -4.210 -6.362 20.961 1.00 50.00 C ATOM 90 CD2 LEU A 6 -5.524 -7.366 22.830 1.00 50.00 C ATOM 0 H LEU A 6 -5.579 -10.207 18.487 1.00 10.00 H new ATOM 0 HA LEU A 6 -5.261 -7.205 18.792 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.629 -8.080 20.651 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.605 -9.494 20.809 1.00 12.50 H new ATOM 0 HG LEU A 6 -3.852 -8.298 21.820 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.583 -5.841 21.684 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -3.628 -6.576 20.064 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -5.062 -5.734 20.700 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.899 -6.830 23.544 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.383 -6.750 22.566 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -5.870 -8.298 23.278 1.00 50.00 H new ATOM 102 N ASN A 7 -2.846 -7.534 18.537 1.00 10.00 N ATOM 103 CA ASN A 7 -1.371 -7.720 18.392 1.00 10.00 C ATOM 104 C ASN A 7 -0.738 -8.137 19.722 1.00 10.00 C ATOM 105 O ASN A 7 -0.865 -7.459 20.722 1.00 10.00 O ATOM 106 CB ASN A 7 -0.845 -6.353 17.960 1.00 10.00 C ATOM 107 CG ASN A 7 0.659 -6.447 17.693 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.192 -7.526 17.529 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.368 -5.353 17.639 1.00 12.50 N ATOM 0 H ASN A 7 -3.198 -6.628 18.229 1.00 10.00 H new ATOM 0 HA ASN A 7 -1.130 -8.505 17.675 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.365 -6.019 17.062 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -1.042 -5.614 18.736 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.371 -5.403 17.459 1.00 12.50 H new ATOM 0 HD22 ASN A 7 0.920 -4.447 17.777 1.00 12.50 H new ATOM 116 N TYR A 8 -0.046 -9.243 19.736 1.00 50.00 N ATOM 117 CA TYR A 8 0.608 -9.698 20.996 1.00 50.00 C ATOM 118 C TYR A 8 1.686 -8.694 21.411 1.00 50.00 C ATOM 119 O TYR A 8 1.869 -8.409 22.577 1.00 50.00 O ATOM 120 CB TYR A 8 1.235 -11.050 20.652 1.00 50.00 C ATOM 121 CG TYR A 8 2.199 -11.453 21.743 1.00 50.00 C ATOM 122 CD1 TYR A 8 3.502 -10.940 21.751 1.00 50.00 C ATOM 123 CD2 TYR A 8 1.788 -12.339 22.746 1.00 50.00 C ATOM 124 CE1 TYR A 8 4.395 -11.315 22.762 1.00 50.00 C ATOM 125 CE2 TYR A 8 2.681 -12.713 23.758 1.00 50.00 C ATOM 126 CZ TYR A 8 3.984 -12.201 23.766 1.00 50.00 C ATOM 127 OH TYR A 8 4.864 -12.570 24.762 1.00 50.00 O ATOM 0 H TYR A 8 0.095 -9.851 18.930 1.00 50.00 H new ATOM 0 HA TYR A 8 -0.094 -9.778 21.826 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.457 -11.806 20.542 1.00 50.00 H new ATOM 0 HB3 TYR A 8 1.756 -10.988 19.697 1.00 50.00 H new ATOM 0 HD1 TYR A 8 3.818 -10.255 20.978 1.00 50.00 H new ATOM 0 HD2 TYR A 8 0.783 -12.734 22.739 1.00 50.00 H new ATOM 0 HE1 TYR A 8 5.401 -10.921 22.768 1.00 50.00 H new ATOM 0 HE2 TYR A 8 2.364 -13.396 24.532 1.00 50.00 H new ATOM 0 HH TYR A 8 5.534 -11.865 24.884 1.00 50.00 H new ATOM 137 N GLU A 9 2.397 -8.150 20.460 1.00 25.00 N ATOM 138 CA GLU A 9 3.458 -7.159 20.796 1.00 25.00 C ATOM 139 C GLU A 9 2.844 -5.973 21.542 1.00 25.00 C ATOM 140 O GLU A 9 3.491 -5.327 22.343 1.00 25.00 O ATOM 141 CB GLU A 9 4.026 -6.711 19.449 1.00 50.00 C ATOM 142 CG GLU A 9 5.151 -7.660 19.027 1.00 50.00 C ATOM 143 CD GLU A 9 6.496 -7.090 19.482 1.00 50.00 C ATOM 144 OE1 GLU A 9 6.507 -6.346 20.449 1.00 50.00 O ATOM 145 OE2 GLU A 9 7.494 -7.408 18.855 1.00 50.00 O ATOM 0 H GLU A 9 2.288 -8.349 19.466 1.00 25.00 H new ATOM 0 HA GLU A 9 4.230 -7.579 21.440 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.239 -6.705 18.695 1.00 50.00 H new ATOM 0 HB3 GLU A 9 4.405 -5.692 19.523 1.00 50.00 H new ATOM 0 HG2 GLU A 9 4.994 -8.645 19.466 1.00 50.00 H new ATOM 0 HG3 GLU A 9 5.146 -7.789 17.945 1.00 50.00 H new ATOM 152 N THR A 10 1.596 -5.682 21.288 1.00 50.00 N ATOM 153 CA THR A 10 0.943 -4.540 21.988 1.00 50.00 C ATOM 154 C THR A 10 0.778 -4.871 23.473 1.00 50.00 C ATOM 155 O THR A 10 0.823 -4.004 24.323 1.00 50.00 O ATOM 156 CB THR A 10 -0.421 -4.386 21.313 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.245 -3.828 20.018 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.307 -3.464 22.153 1.00 50.00 C ATOM 0 H THR A 10 1.003 -6.185 20.628 1.00 50.00 H new ATOM 0 HA THR A 10 1.527 -3.622 21.926 1.00 50.00 H new ATOM 0 HB THR A 10 -0.897 -5.363 21.227 1.00 50.00 H new ATOM 0 HG1 THR A 10 -1.118 -3.582 19.646 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.279 -3.355 21.671 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.441 -3.893 23.146 1.00 50.00 H new ATOM 0 HG23 THR A 10 -0.834 -2.486 22.241 1.00 50.00 H new ATOM 166 N LEU A 11 0.590 -6.123 23.790 1.00 50.00 N ATOM 167 CA LEU A 11 0.427 -6.513 25.218 1.00 50.00 C ATOM 168 C LEU A 11 1.789 -6.507 25.917 1.00 50.00 C ATOM 169 O LEU A 11 1.939 -5.982 27.002 1.00 50.00 O ATOM 170 CB LEU A 11 -0.153 -7.928 25.179 1.00 50.00 C ATOM 171 CG LEU A 11 -0.509 -8.384 26.597 1.00 50.00 C ATOM 172 CD1 LEU A 11 -1.216 -7.251 27.346 1.00 50.00 C ATOM 173 CD2 LEU A 11 -1.442 -9.594 26.523 1.00 50.00 C ATOM 0 H LEU A 11 0.542 -6.892 23.122 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.218 -5.827 25.767 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -1.041 -7.949 24.547 1.00 50.00 H new ATOM 0 HB3 LEU A 11 0.569 -8.615 24.737 1.00 50.00 H new ATOM 0 HG LEU A 11 0.406 -8.653 27.126 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -1.467 -7.582 28.354 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -0.557 -6.385 27.402 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -2.129 -6.979 26.816 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -1.696 -9.920 27.532 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -2.352 -9.319 25.990 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -0.943 -10.406 25.994 1.00 50.00 H new ATOM 185 N ASP A 12 2.785 -7.081 25.299 1.00 50.00 N ATOM 186 CA ASP A 12 4.138 -7.102 25.925 1.00 50.00 C ATOM 187 C ASP A 12 4.724 -5.688 25.943 1.00 50.00 C ATOM 188 O ASP A 12 5.201 -5.217 26.955 1.00 50.00 O ATOM 189 CB ASP A 12 4.974 -8.020 25.032 1.00 50.00 C ATOM 190 CG ASP A 12 5.485 -9.203 25.856 1.00 50.00 C ATOM 191 OD1 ASP A 12 5.627 -9.047 27.057 1.00 50.00 O ATOM 192 OD2 ASP A 12 5.725 -10.247 25.271 1.00 50.00 O ATOM 0 H ASP A 12 2.721 -7.536 24.388 1.00 50.00 H new ATOM 0 HA ASP A 12 4.115 -7.453 26.957 1.00 50.00 H new ATOM 0 HB2 ASP A 12 4.373 -8.378 24.196 1.00 50.00 H new ATOM 0 HB3 ASP A 12 5.813 -7.468 24.609 1.00 50.00 H new ATOM 197 N ASP A 13 4.683 -5.006 24.831 1.00 50.00 N ATOM 198 CA ASP A 13 5.230 -3.620 24.787 1.00 50.00 C ATOM 199 C ASP A 13 4.489 -2.741 25.795 1.00 50.00 C ATOM 200 O ASP A 13 5.085 -2.135 26.664 1.00 50.00 O ATOM 201 CB ASP A 13 4.974 -3.135 23.359 1.00 50.00 C ATOM 202 CG ASP A 13 5.481 -1.700 23.208 1.00 50.00 C ATOM 203 OD1 ASP A 13 5.269 -0.919 24.121 1.00 50.00 O ATOM 204 OD2 ASP A 13 6.072 -1.407 22.182 1.00 50.00 O ATOM 0 H ASP A 13 4.295 -5.348 23.952 1.00 50.00 H new ATOM 0 HA ASP A 13 6.289 -3.581 25.041 1.00 50.00 H new ATOM 0 HB2 ASP A 13 5.479 -3.787 22.646 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.909 -3.181 23.134 1.00 50.00 H new ATOM 209 N GLN A 14 3.190 -2.673 25.690 1.00 50.00 N ATOM 210 CA GLN A 14 2.407 -1.840 26.647 1.00 50.00 C ATOM 211 C GLN A 14 2.563 -2.395 28.066 1.00 50.00 C ATOM 212 O GLN A 14 2.305 -1.717 29.040 1.00 50.00 O ATOM 213 CB GLN A 14 0.957 -1.958 26.177 1.00 50.00 C ATOM 214 CG GLN A 14 0.161 -0.746 26.665 1.00 50.00 C ATOM 215 CD GLN A 14 -0.351 0.048 25.461 1.00 50.00 C ATOM 216 OE1 GLN A 14 0.402 0.362 24.561 1.00 50.00 O ATOM 217 NE2 GLN A 14 -1.610 0.386 25.404 1.00 50.00 N ATOM 0 H GLN A 14 2.637 -3.158 24.983 1.00 50.00 H new ATOM 0 HA GLN A 14 2.741 -0.803 26.671 1.00 50.00 H new ATOM 0 HB2 GLN A 14 0.920 -2.016 25.089 1.00 50.00 H new ATOM 0 HB3 GLN A 14 0.513 -2.876 26.561 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -0.677 -1.072 27.282 1.00 50.00 H new ATOM 0 HG3 GLN A 14 0.790 -0.113 27.291 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -2.243 0.123 26.159 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -1.961 0.913 24.604 1.00 50.00 H new ATOM 226 N GLY A 15 2.987 -3.623 28.187 1.00 50.00 N ATOM 227 CA GLY A 15 3.162 -4.223 29.539 1.00 50.00 C ATOM 228 C GLY A 15 1.792 -4.555 30.133 1.00 50.00 C ATOM 229 O GLY A 15 1.634 -4.658 31.333 1.00 50.00 O ATOM 0 H GLY A 15 3.220 -4.237 27.407 1.00 50.00 H new ATOM 0 HA2 GLY A 15 3.769 -5.126 29.472 1.00 50.00 H new ATOM 0 HA3 GLY A 15 3.694 -3.529 30.190 1.00 50.00 H new ATOM 233 N TRP A 16 0.799 -4.723 29.303 1.00 50.00 N ATOM 234 CA TRP A 16 -0.560 -5.047 29.824 1.00 50.00 C ATOM 235 C TRP A 16 -0.689 -6.554 30.066 1.00 50.00 C ATOM 236 O TRP A 16 0.276 -7.288 29.987 1.00 50.00 O ATOM 237 CB TRP A 16 -1.525 -4.596 28.727 1.00 50.00 C ATOM 238 CG TRP A 16 -2.181 -3.315 29.135 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.483 -3.008 28.929 1.00 50.00 C ATOM 240 CD2 TRP A 16 -1.592 -2.167 29.814 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.730 -1.745 29.438 1.00 50.00 N ATOM 242 CE2 TRP A 16 -2.596 -1.187 29.994 1.00 50.00 C ATOM 243 CE3 TRP A 16 -0.298 -1.885 30.288 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.325 0.030 30.620 1.00 50.00 C ATOM 245 CZ3 TRP A 16 -0.022 -0.662 30.918 1.00 50.00 C ATOM 246 CH2 TRP A 16 -1.034 0.294 31.084 1.00 50.00 C ATOM 0 H TRP A 16 0.869 -4.650 28.288 1.00 50.00 H new ATOM 0 HA TRP A 16 -0.765 -4.554 30.774 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -0.987 -4.459 27.789 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.279 -5.364 28.553 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -4.210 -3.644 28.446 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -4.639 -1.283 29.406 1.00 50.00 H new ATOM 0 HE3 TRP A 16 0.489 -2.615 30.166 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -3.108 0.763 30.745 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 0.976 -0.456 31.277 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -0.816 1.233 31.570 1.00 50.00 H new ATOM 257 N ASP A 17 -1.872 -7.018 30.361 1.00 50.00 N ATOM 258 CA ASP A 17 -2.059 -8.478 30.606 1.00 50.00 C ATOM 259 C ASP A 17 -3.024 -9.070 29.576 1.00 50.00 C ATOM 260 O ASP A 17 -3.564 -8.371 28.741 1.00 50.00 O ATOM 261 CB ASP A 17 -2.649 -8.569 32.013 1.00 50.00 C ATOM 262 CG ASP A 17 -1.559 -8.275 33.045 1.00 50.00 C ATOM 263 OD1 ASP A 17 -0.403 -8.517 32.744 1.00 50.00 O ATOM 264 OD2 ASP A 17 -1.900 -7.810 34.122 1.00 50.00 O ATOM 0 H ASP A 17 -2.716 -6.452 30.443 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.126 -9.035 30.519 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -3.468 -7.858 32.122 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -3.065 -9.563 32.181 1.00 50.00 H new ATOM 269 N MET A 18 -3.243 -10.357 29.623 1.00 50.00 N ATOM 270 CA MET A 18 -4.169 -10.993 28.642 1.00 50.00 C ATOM 271 C MET A 18 -5.627 -10.720 29.024 1.00 50.00 C ATOM 272 O MET A 18 -6.402 -10.225 28.231 1.00 50.00 O ATOM 273 CB MET A 18 -3.864 -12.489 28.721 1.00 50.00 C ATOM 274 CG MET A 18 -2.559 -12.781 27.977 1.00 50.00 C ATOM 275 SD MET A 18 -2.149 -14.535 28.147 1.00 50.00 S ATOM 276 CE MET A 18 -0.366 -14.328 28.378 1.00 50.00 C ATOM 0 H MET A 18 -2.821 -10.995 30.298 1.00 50.00 H new ATOM 0 HA MET A 18 -4.031 -10.600 27.635 1.00 50.00 H new ATOM 0 HB2 MET A 18 -3.779 -12.800 29.762 1.00 50.00 H new ATOM 0 HB3 MET A 18 -4.681 -13.062 28.283 1.00 50.00 H new ATOM 0 HG2 MET A 18 -2.662 -12.521 26.924 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.753 -12.167 28.379 1.00 50.00 H new ATOM 0 HE1 MET A 18 0.100 -15.305 28.505 1.00 50.00 H new ATOM 0 HE2 MET A 18 0.059 -13.834 27.504 1.00 50.00 H new ATOM 0 HE3 MET A 18 -0.182 -13.720 29.264 1.00 50.00 H new ATOM 286 N ASP A 19 -6.008 -11.042 30.230 1.00 50.00 N ATOM 287 CA ASP A 19 -7.420 -10.801 30.651 1.00 50.00 C ATOM 288 C ASP A 19 -7.472 -9.811 31.819 1.00 50.00 C ATOM 289 O ASP A 19 -8.530 -9.384 32.234 1.00 50.00 O ATOM 290 CB ASP A 19 -7.943 -12.171 31.086 1.00 50.00 C ATOM 291 CG ASP A 19 -9.438 -12.269 30.775 1.00 50.00 C ATOM 292 OD1 ASP A 19 -10.217 -11.704 31.524 1.00 50.00 O ATOM 293 OD2 ASP A 19 -9.779 -12.906 29.792 1.00 50.00 O ATOM 0 H ASP A 19 -5.407 -11.460 30.940 1.00 50.00 H new ATOM 0 HA ASP A 19 -8.018 -10.370 29.848 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -7.400 -12.961 30.567 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -7.772 -12.315 32.153 1.00 50.00 H new ATOM 298 N ASP A 20 -6.338 -9.445 32.354 1.00 50.00 N ATOM 299 CA ASP A 20 -6.332 -8.484 33.496 1.00 50.00 C ATOM 300 C ASP A 20 -6.753 -7.090 33.021 1.00 50.00 C ATOM 301 O ASP A 20 -7.809 -6.598 33.366 1.00 50.00 O ATOM 302 CB ASP A 20 -4.887 -8.468 33.994 1.00 50.00 C ATOM 303 CG ASP A 20 -4.865 -8.722 35.503 1.00 50.00 C ATOM 304 OD1 ASP A 20 -4.935 -7.759 36.248 1.00 50.00 O ATOM 305 OD2 ASP A 20 -4.775 -9.876 35.887 1.00 50.00 O ATOM 0 H ASP A 20 -5.419 -9.768 32.052 1.00 50.00 H new ATOM 0 HA ASP A 20 -7.030 -8.774 34.281 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -4.305 -9.231 33.477 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -4.424 -7.507 33.769 1.00 50.00 H new ATOM 310 N ASP A 21 -5.933 -6.448 32.233 1.00 50.00 N ATOM 311 CA ASP A 21 -6.285 -5.084 31.739 1.00 50.00 C ATOM 312 C ASP A 21 -7.260 -5.172 30.560 1.00 50.00 C ATOM 313 O ASP A 21 -7.543 -4.189 29.905 1.00 50.00 O ATOM 314 CB ASP A 21 -4.959 -4.468 31.296 1.00 50.00 C ATOM 315 CG ASP A 21 -3.981 -4.463 32.472 1.00 50.00 C ATOM 316 OD1 ASP A 21 -4.438 -4.594 33.596 1.00 50.00 O ATOM 317 OD2 ASP A 21 -2.794 -4.329 32.231 1.00 50.00 O ATOM 0 H ASP A 21 -5.035 -6.808 31.910 1.00 50.00 H new ATOM 0 HA ASP A 21 -6.777 -4.486 32.506 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -4.542 -5.036 30.465 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -5.120 -3.451 30.938 1.00 50.00 H new ATOM 322 N ASP A 22 -7.777 -6.338 30.284 1.00 50.00 N ATOM 323 CA ASP A 22 -8.731 -6.476 29.146 1.00 50.00 C ATOM 324 C ASP A 22 -8.156 -5.814 27.892 1.00 50.00 C ATOM 325 O ASP A 22 -8.799 -5.003 27.256 1.00 50.00 O ATOM 326 CB ASP A 22 -9.999 -5.754 29.600 1.00 50.00 C ATOM 327 CG ASP A 22 -11.104 -6.779 29.861 1.00 50.00 C ATOM 328 OD1 ASP A 22 -10.784 -7.860 30.326 1.00 50.00 O ATOM 329 OD2 ASP A 22 -12.251 -6.465 29.589 1.00 50.00 O ATOM 0 H ASP A 22 -7.581 -7.199 30.795 1.00 50.00 H new ATOM 0 HA ASP A 22 -8.925 -7.519 28.895 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -9.799 -5.180 30.505 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -10.319 -5.044 28.837 1.00 50.00 H new ATOM 334 N LEU A 23 -6.949 -6.157 27.535 1.00 50.00 N ATOM 335 CA LEU A 23 -6.323 -5.553 26.321 1.00 50.00 C ATOM 336 C LEU A 23 -7.349 -5.450 25.189 1.00 50.00 C ATOM 337 O LEU A 23 -7.669 -4.375 24.722 1.00 50.00 O ATOM 338 CB LEU A 23 -5.199 -6.515 25.937 1.00 50.00 C ATOM 339 CG LEU A 23 -4.067 -5.736 25.265 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.354 -4.873 26.309 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.069 -6.716 24.647 1.00 50.00 C ATOM 0 H LEU A 23 -6.367 -6.831 28.032 1.00 50.00 H new ATOM 0 HA LEU A 23 -5.954 -4.544 26.506 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -4.826 -7.027 26.824 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.578 -7.282 25.262 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.479 -5.097 24.484 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -2.547 -4.317 25.832 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -4.065 -4.174 26.750 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -2.942 -5.512 27.090 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.263 -6.161 24.168 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -2.656 -7.355 25.427 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.576 -7.332 23.904 1.00 50.00 H new ATOM 353 N PHE A 24 -7.872 -6.563 24.752 1.00 50.00 N ATOM 354 CA PHE A 24 -8.883 -6.536 23.657 1.00 50.00 C ATOM 355 C PHE A 24 -9.890 -5.420 23.916 1.00 50.00 C ATOM 356 O PHE A 24 -10.489 -4.880 23.007 1.00 50.00 O ATOM 357 CB PHE A 24 -9.575 -7.898 23.730 1.00 50.00 C ATOM 358 CG PHE A 24 -8.941 -8.849 22.745 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.241 -8.748 21.381 1.00 50.00 C ATOM 360 CD2 PHE A 24 -8.059 -9.837 23.196 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.657 -9.635 20.470 1.00 50.00 C ATOM 362 CE2 PHE A 24 -7.477 -10.725 22.284 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.776 -10.625 20.921 1.00 50.00 C ATOM 0 H PHE A 24 -7.642 -7.491 25.107 1.00 50.00 H new ATOM 0 HA PHE A 24 -8.437 -6.354 22.679 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -9.498 -8.301 24.740 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -10.637 -7.788 23.511 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.923 -7.986 21.032 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -7.827 -9.914 24.248 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.886 -9.556 19.418 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -6.797 -11.488 22.633 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.328 -11.311 20.217 1.00 50.00 H new ATOM 373 N GLU A 25 -10.083 -5.077 25.157 1.00 50.00 N ATOM 374 CA GLU A 25 -11.058 -3.997 25.491 1.00 50.00 C ATOM 375 C GLU A 25 -10.330 -2.672 25.732 1.00 50.00 C ATOM 376 O GLU A 25 -10.759 -1.627 25.283 1.00 50.00 O ATOM 377 CB GLU A 25 -11.750 -4.467 26.770 1.00 50.00 C ATOM 378 CG GLU A 25 -13.266 -4.444 26.566 1.00 50.00 C ATOM 379 CD GLU A 25 -13.660 -5.526 25.559 1.00 50.00 C ATOM 380 OE1 GLU A 25 -13.372 -5.349 24.386 1.00 50.00 O ATOM 381 OE2 GLU A 25 -14.242 -6.513 25.977 1.00 50.00 O ATOM 0 H GLU A 25 -9.609 -5.496 25.957 1.00 50.00 H new ATOM 0 HA GLU A 25 -11.768 -3.823 24.682 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -11.422 -5.475 27.025 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -11.474 -3.821 27.604 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -13.774 -4.613 27.515 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -13.581 -3.465 26.206 1.00 50.00 H new ATOM 388 N LYS A 26 -9.237 -2.704 26.443 1.00 50.00 N ATOM 389 CA LYS A 26 -8.488 -1.443 26.715 1.00 50.00 C ATOM 390 C LYS A 26 -7.752 -0.979 25.456 1.00 50.00 C ATOM 391 O LYS A 26 -7.204 0.105 25.410 1.00 50.00 O ATOM 392 CB LYS A 26 -7.492 -1.805 27.816 1.00 50.00 C ATOM 393 CG LYS A 26 -7.581 -0.774 28.942 1.00 50.00 C ATOM 394 CD LYS A 26 -6.964 0.545 28.473 1.00 50.00 C ATOM 395 CE LYS A 26 -7.261 1.642 29.498 1.00 50.00 C ATOM 396 NZ LYS A 26 -7.816 2.770 28.700 1.00 50.00 N ATOM 0 H LYS A 26 -8.830 -3.547 26.847 1.00 50.00 H new ATOM 0 HA LYS A 26 -9.148 -0.628 27.013 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -7.707 -2.801 28.203 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -6.480 -1.831 27.412 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -8.622 -0.620 29.228 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -7.058 -1.139 29.826 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -5.887 0.431 28.349 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -7.369 0.823 27.500 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -7.974 1.300 30.248 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -6.358 1.941 30.030 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -7.839 3.630 29.284 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -7.216 2.934 27.866 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -8.781 2.535 28.391 1.00 50.00 H new ATOM 410 N ALA A 27 -7.731 -1.790 24.436 1.00 50.00 N ATOM 411 CA ALA A 27 -7.028 -1.393 23.182 1.00 50.00 C ATOM 412 C ALA A 27 -7.908 -0.453 22.353 1.00 50.00 C ATOM 413 O ALA A 27 -7.426 0.294 21.526 1.00 50.00 O ATOM 414 CB ALA A 27 -6.789 -2.704 22.432 1.00 50.00 C ATOM 0 H ALA A 27 -8.170 -2.711 24.415 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.098 -0.860 23.382 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.274 -2.498 21.494 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.177 -3.367 23.044 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -7.745 -3.183 22.223 1.00 50.00 H new ATOM 420 N ALA A 28 -9.196 -0.488 22.565 1.00 50.00 N ATOM 421 CA ALA A 28 -10.104 0.401 21.786 1.00 50.00 C ATOM 422 C ALA A 28 -10.113 1.811 22.384 1.00 50.00 C ATOM 423 O ALA A 28 -10.483 2.769 21.734 1.00 50.00 O ATOM 424 CB ALA A 28 -11.487 -0.240 21.909 1.00 50.00 C ATOM 0 H ALA A 28 -9.658 -1.093 23.244 1.00 50.00 H new ATOM 0 HA ALA A 28 -9.789 0.500 20.747 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -12.215 0.357 21.360 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.459 -1.248 21.495 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -11.774 -0.287 22.959 1.00 50.00 H new ATOM 430 N ASP A 29 -9.711 1.945 23.618 1.00 50.00 N ATOM 431 CA ASP A 29 -9.701 3.294 24.255 1.00 50.00 C ATOM 432 C ASP A 29 -8.311 3.925 24.132 1.00 50.00 C ATOM 433 O ASP A 29 -8.122 5.091 24.416 1.00 50.00 O ATOM 434 CB ASP A 29 -10.051 3.044 25.721 1.00 50.00 C ATOM 435 CG ASP A 29 -10.628 4.321 26.334 1.00 50.00 C ATOM 436 OD1 ASP A 29 -10.171 5.390 25.962 1.00 50.00 O ATOM 437 OD2 ASP A 29 -11.515 4.210 27.163 1.00 50.00 O ATOM 0 H ASP A 29 -9.389 1.181 24.212 1.00 50.00 H new ATOM 0 HA ASP A 29 -10.404 3.980 23.782 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -10.774 2.232 25.800 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -9.162 2.734 26.270 1.00 50.00 H new ATOM 442 N ALA A 30 -7.339 3.164 23.712 1.00 50.00 N ATOM 443 CA ALA A 30 -5.963 3.721 23.571 1.00 50.00 C ATOM 444 C ALA A 30 -5.746 4.231 22.144 1.00 50.00 C ATOM 445 O ALA A 30 -4.968 5.135 21.907 1.00 50.00 O ATOM 446 CB ALA A 30 -5.029 2.549 23.870 1.00 50.00 C ATOM 0 H ALA A 30 -7.437 2.180 23.460 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.786 4.563 24.240 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -3.993 2.879 23.787 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.214 2.185 24.881 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.213 1.746 23.156 1.00 50.00 H new ATOM 452 N GLY A 31 -6.432 3.660 21.193 1.00 50.00 N ATOM 453 CA GLY A 31 -6.270 4.110 19.782 1.00 50.00 C ATOM 454 C GLY A 31 -5.058 3.415 19.157 1.00 50.00 C ATOM 455 O GLY A 31 -4.140 4.053 18.683 1.00 50.00 O ATOM 0 H GLY A 31 -7.098 2.900 21.332 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.169 3.879 19.211 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -6.139 5.192 19.747 1.00 50.00 H new ATOM 459 N LEU A 32 -5.048 2.110 19.150 1.00 50.00 N ATOM 460 CA LEU A 32 -3.895 1.377 18.553 1.00 50.00 C ATOM 461 C LEU A 32 -4.105 1.203 17.046 1.00 50.00 C ATOM 462 O LEU A 32 -5.094 1.640 16.494 1.00 50.00 O ATOM 463 CB LEU A 32 -3.883 0.016 19.250 1.00 50.00 C ATOM 464 CG LEU A 32 -2.719 -0.037 20.242 1.00 50.00 C ATOM 465 CD1 LEU A 32 -1.395 0.003 19.475 1.00 50.00 C ATOM 466 CD2 LEU A 32 -2.797 1.164 21.188 1.00 50.00 C ATOM 0 H LEU A 32 -5.787 1.520 19.531 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.954 1.911 18.686 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -4.827 -0.147 19.771 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -3.784 -0.781 18.513 1.00 50.00 H new ATOM 0 HG LEU A 32 -2.777 -0.959 20.821 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -0.565 -0.035 20.180 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -1.338 -0.852 18.802 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -1.338 0.925 18.896 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -1.968 1.125 21.894 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -2.739 2.087 20.610 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -3.740 1.136 21.734 1.00 50.00 H new ATOM 478 N ASP A 33 -3.183 0.564 16.379 1.00 50.00 N ATOM 479 CA ASP A 33 -3.336 0.361 14.910 1.00 50.00 C ATOM 480 C ASP A 33 -4.518 -0.570 14.631 1.00 50.00 C ATOM 481 O ASP A 33 -4.935 -1.330 15.483 1.00 50.00 O ATOM 482 CB ASP A 33 -2.028 -0.286 14.458 1.00 50.00 C ATOM 483 CG ASP A 33 -0.858 0.649 14.772 1.00 50.00 C ATOM 484 OD1 ASP A 33 -0.806 1.718 14.185 1.00 50.00 O ATOM 485 OD2 ASP A 33 -0.036 0.282 15.594 1.00 50.00 O ATOM 0 H ASP A 33 -2.333 0.175 16.786 1.00 50.00 H new ATOM 0 HA ASP A 33 -3.530 1.294 14.382 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -1.889 -1.241 14.964 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -2.064 -0.494 13.389 1.00 50.00 H new ATOM 490 N GLY A 34 -5.061 -0.521 13.447 1.00 50.00 N ATOM 491 CA GLY A 34 -6.213 -1.406 13.121 1.00 50.00 C ATOM 492 C GLY A 34 -5.697 -2.797 12.753 1.00 50.00 C ATOM 493 O GLY A 34 -6.376 -3.789 12.932 1.00 50.00 O ATOM 0 H GLY A 34 -4.757 0.093 12.691 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.889 -1.471 13.974 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.784 -0.987 12.293 1.00 50.00 H new ATOM 497 N GLU A 35 -4.498 -2.881 12.246 1.00 50.00 N ATOM 498 CA GLU A 35 -3.938 -4.213 11.878 1.00 50.00 C ATOM 499 C GLU A 35 -3.487 -4.948 13.140 1.00 50.00 C ATOM 500 O GLU A 35 -3.432 -6.162 13.182 1.00 50.00 O ATOM 501 CB GLU A 35 -2.743 -3.907 10.974 1.00 50.00 C ATOM 502 CG GLU A 35 -1.991 -5.203 10.668 1.00 50.00 C ATOM 503 CD GLU A 35 -0.712 -4.880 9.892 1.00 50.00 C ATOM 504 OE1 GLU A 35 -0.816 -4.593 8.712 1.00 50.00 O ATOM 505 OE2 GLU A 35 0.349 -4.925 10.493 1.00 50.00 O ATOM 0 H GLU A 35 -3.882 -2.087 12.071 1.00 50.00 H new ATOM 0 HA GLU A 35 -4.667 -4.850 11.377 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -3.083 -3.444 10.048 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -2.078 -3.194 11.461 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -1.746 -5.721 11.595 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -2.623 -5.874 10.086 1.00 50.00 H new ATOM 512 N ASP A 36 -3.169 -4.218 14.175 1.00 50.00 N ATOM 513 CA ASP A 36 -2.726 -4.865 15.442 1.00 50.00 C ATOM 514 C ASP A 36 -3.946 -5.266 16.275 1.00 50.00 C ATOM 515 O ASP A 36 -4.038 -6.374 16.764 1.00 50.00 O ATOM 516 CB ASP A 36 -1.911 -3.793 16.169 1.00 50.00 C ATOM 517 CG ASP A 36 -0.717 -3.386 15.303 1.00 50.00 C ATOM 518 OD1 ASP A 36 -0.928 -3.092 14.138 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.388 -3.375 15.819 1.00 50.00 O ATOM 0 H ASP A 36 -3.197 -3.199 14.197 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.144 -5.770 15.267 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.536 -2.925 16.377 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.564 -4.174 17.130 1.00 50.00 H new ATOM 524 N TYR A 37 -4.884 -4.373 16.437 1.00 12.50 N ATOM 525 CA TYR A 37 -6.099 -4.704 17.234 1.00 12.50 C ATOM 526 C TYR A 37 -7.359 -4.309 16.459 1.00 12.50 C ATOM 527 O TYR A 37 -7.384 -3.314 15.762 1.00 12.50 O ATOM 528 CB TYR A 37 -5.966 -3.877 18.514 1.00 12.50 C ATOM 529 CG TYR A 37 -7.311 -3.768 19.195 1.00 12.50 C ATOM 530 CD1 TYR A 37 -7.892 -4.897 19.783 1.00 50.00 C ATOM 531 CD2 TYR A 37 -7.974 -2.536 19.238 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.138 -4.795 20.413 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.221 -2.434 19.868 1.00 50.00 C ATOM 534 CZ TYR A 37 -9.802 -3.563 20.456 1.00 12.50 C ATOM 535 OH TYR A 37 -11.030 -3.462 21.078 1.00 50.00 O ATOM 0 H TYR A 37 -4.861 -3.429 16.052 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.182 -5.770 17.447 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.245 -4.343 19.186 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.586 -2.883 18.278 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.379 -5.847 19.751 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.524 -1.664 18.786 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.587 -5.667 20.866 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.734 -1.484 19.900 1.00 50.00 H new ATOM 0 HH TYR A 37 -10.924 -3.619 22.039 1.00 50.00 H new ATOM 545 N GLY A 38 -8.404 -5.079 16.576 1.00 10.00 N ATOM 546 CA GLY A 38 -9.659 -4.747 15.848 1.00 10.00 C ATOM 547 C GLY A 38 -10.555 -5.984 15.790 1.00 10.00 C ATOM 548 O GLY A 38 -10.164 -7.064 16.187 1.00 10.00 O ATOM 0 H GLY A 38 -8.443 -5.925 17.145 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.179 -3.931 16.350 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.428 -4.404 14.839 1.00 10.00 H new ATOM 552 N THR A 39 -11.753 -5.837 15.300 1.00 10.00 N ATOM 553 CA THR A 39 -12.672 -7.007 15.218 1.00 10.00 C ATOM 554 C THR A 39 -12.568 -7.666 13.840 1.00 10.00 C ATOM 555 O THR A 39 -12.719 -7.022 12.821 1.00 10.00 O ATOM 556 CB THR A 39 -14.071 -6.429 15.433 1.00 50.00 C ATOM 557 OG1 THR A 39 -14.115 -5.759 16.685 1.00 50.00 O ATOM 558 CG2 THR A 39 -15.099 -7.560 15.420 1.00 50.00 C ATOM 0 H THR A 39 -12.136 -4.958 14.953 1.00 10.00 H new ATOM 0 HA THR A 39 -12.431 -7.773 15.955 1.00 10.00 H new ATOM 0 HB THR A 39 -14.302 -5.724 14.634 1.00 50.00 H new ATOM 0 HG1 THR A 39 -15.010 -5.386 16.825 1.00 50.00 H new ATOM 0 HG21 THR A 39 -16.096 -7.147 15.573 1.00 50.00 H new ATOM 0 HG22 THR A 39 -15.063 -8.074 14.459 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.872 -8.267 16.218 1.00 50.00 H new ATOM 566 N MET A 40 -12.312 -8.945 13.801 1.00 10.00 N ATOM 567 CA MET A 40 -12.200 -9.644 12.489 1.00 10.00 C ATOM 568 C MET A 40 -13.554 -10.233 12.084 1.00 10.00 C ATOM 569 O MET A 40 -14.300 -10.725 12.910 1.00 10.00 O ATOM 570 CB MET A 40 -11.178 -10.758 12.722 1.00 10.00 C ATOM 571 CG MET A 40 -10.075 -10.669 11.665 1.00 10.00 C ATOM 572 SD MET A 40 -10.538 -11.661 10.223 1.00 12.50 S ATOM 573 CE MET A 40 -9.795 -13.217 10.771 1.00 50.00 C ATOM 0 H MET A 40 -12.176 -9.536 14.621 1.00 10.00 H new ATOM 0 HA MET A 40 -11.896 -8.971 11.687 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.748 -10.669 13.720 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.667 -11.731 12.672 1.00 10.00 H new ATOM 0 HG2 MET A 40 -9.921 -9.631 11.371 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.132 -11.026 12.078 1.00 10.00 H new ATOM 0 HE1 MET A 40 -9.594 -13.849 9.906 1.00 50.00 H new ATOM 0 HE2 MET A 40 -8.861 -13.010 11.294 1.00 50.00 H new ATOM 0 HE3 MET A 40 -10.482 -13.731 11.444 1.00 50.00 H new ATOM 583 N GLU A 41 -13.878 -10.192 10.821 1.00 10.00 N ATOM 584 CA GLU A 41 -15.183 -10.753 10.367 1.00 10.00 C ATOM 585 C GLU A 41 -14.960 -11.744 9.222 1.00 10.00 C ATOM 586 O GLU A 41 -14.526 -11.380 8.147 1.00 10.00 O ATOM 587 CB GLU A 41 -15.990 -9.547 9.885 1.00 10.00 C ATOM 588 CG GLU A 41 -17.324 -9.496 10.631 1.00 10.00 C ATOM 589 CD GLU A 41 -18.216 -10.646 10.158 1.00 12.50 C ATOM 590 OE1 GLU A 41 -17.731 -11.765 10.108 1.00 12.50 O ATOM 591 OE2 GLU A 41 -19.369 -10.388 9.854 1.00 12.50 O ATOM 0 H GLU A 41 -13.296 -9.795 10.083 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.699 -11.294 11.160 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -15.429 -8.628 10.057 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -16.164 -9.618 8.811 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.155 -9.570 11.705 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -17.817 -8.541 10.451 1.00 10.00 H new ATOM 598 N VAL A 42 -15.254 -12.997 9.443 1.00 10.00 N ATOM 599 CA VAL A 42 -15.058 -14.010 8.368 1.00 10.00 C ATOM 600 C VAL A 42 -16.132 -15.097 8.466 1.00 10.00 C ATOM 601 O VAL A 42 -16.636 -15.389 9.532 1.00 10.00 O ATOM 602 CB VAL A 42 -13.668 -14.596 8.625 1.00 10.00 C ATOM 603 CG1 VAL A 42 -13.501 -14.884 10.118 1.00 10.00 C ATOM 604 CG2 VAL A 42 -13.506 -15.896 7.834 1.00 10.00 C ATOM 0 H VAL A 42 -15.621 -13.362 10.322 1.00 10.00 H new ATOM 0 HA VAL A 42 -15.137 -13.578 7.370 1.00 10.00 H new ATOM 0 HB VAL A 42 -12.910 -13.880 8.307 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -12.511 -15.301 10.299 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -13.614 -13.958 10.682 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -14.260 -15.598 10.438 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -12.516 -16.313 8.018 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -14.265 -16.611 8.150 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -13.622 -15.691 6.770 1.00 10.00 H new ATOM 614 N ALA A 43 -16.489 -15.693 7.362 1.00 10.00 N ATOM 615 CA ALA A 43 -17.535 -16.756 7.391 1.00 10.00 C ATOM 616 C ALA A 43 -16.944 -18.076 7.893 1.00 10.00 C ATOM 617 O ALA A 43 -15.753 -18.305 7.815 1.00 10.00 O ATOM 618 CB ALA A 43 -17.998 -16.891 5.941 1.00 50.00 C ATOM 0 H ALA A 43 -16.102 -15.490 6.440 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.357 -16.507 8.062 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.771 -17.657 5.876 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -18.401 -15.938 5.598 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -17.153 -17.174 5.314 1.00 50.00 H new ATOM 624 N GLU A 44 -17.770 -18.948 8.404 1.00 10.00 N ATOM 625 CA GLU A 44 -17.259 -20.255 8.909 1.00 10.00 C ATOM 626 C GLU A 44 -16.759 -21.111 7.744 1.00 10.00 C ATOM 627 O GLU A 44 -17.498 -21.434 6.835 1.00 10.00 O ATOM 628 CB GLU A 44 -18.461 -20.915 9.585 1.00 10.00 C ATOM 629 CG GLU A 44 -18.018 -21.542 10.909 1.00 10.00 C ATOM 630 CD GLU A 44 -18.957 -22.695 11.267 1.00 25.00 C ATOM 631 OE1 GLU A 44 -18.727 -23.791 10.783 1.00 25.00 O ATOM 632 OE2 GLU A 44 -19.890 -22.463 12.017 1.00 25.00 O ATOM 0 H GLU A 44 -18.777 -18.812 8.494 1.00 10.00 H new ATOM 0 HA GLU A 44 -16.421 -20.135 9.596 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -19.243 -20.177 9.763 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -18.886 -21.678 8.933 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -16.994 -21.905 10.827 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -18.028 -20.792 11.700 1.00 10.00 H new ATOM 639 N GLY A 45 -15.507 -21.479 7.763 1.00 10.00 N ATOM 640 CA GLY A 45 -14.956 -22.309 6.656 1.00 10.00 C ATOM 641 C GLY A 45 -13.826 -21.542 5.967 1.00 10.00 C ATOM 642 O GLY A 45 -13.071 -22.092 5.191 1.00 10.00 O ATOM 0 H GLY A 45 -14.842 -21.240 8.498 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -14.584 -23.256 7.046 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -15.741 -22.547 5.938 1.00 10.00 H new ATOM 646 N GLU A 46 -13.704 -20.273 6.250 1.00 10.00 N ATOM 647 CA GLU A 46 -12.622 -19.467 5.619 1.00 10.00 C ATOM 648 C GLU A 46 -11.423 -19.371 6.564 1.00 10.00 C ATOM 649 O GLU A 46 -11.542 -18.932 7.691 1.00 10.00 O ATOM 650 CB GLU A 46 -13.239 -18.088 5.390 1.00 10.00 C ATOM 651 CG GLU A 46 -14.192 -18.147 4.194 1.00 10.00 C ATOM 652 CD GLU A 46 -14.274 -16.767 3.539 1.00 10.00 C ATOM 653 OE1 GLU A 46 -14.358 -15.791 4.266 1.00 10.00 O ATOM 654 OE2 GLU A 46 -14.252 -16.709 2.320 1.00 10.00 O ATOM 0 H GLU A 46 -14.308 -19.760 6.892 1.00 10.00 H new ATOM 0 HA GLU A 46 -12.261 -19.909 4.690 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -13.777 -17.766 6.282 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -12.455 -17.353 5.208 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -13.841 -18.884 3.472 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -15.182 -18.466 4.520 1.00 10.00 H new ATOM 661 N TYR A 47 -10.268 -19.781 6.117 1.00 10.00 N ATOM 662 CA TYR A 47 -9.064 -19.716 6.994 1.00 10.00 C ATOM 663 C TYR A 47 -8.961 -18.342 7.660 1.00 10.00 C ATOM 664 O TYR A 47 -8.955 -17.319 7.003 1.00 10.00 O ATOM 665 CB TYR A 47 -7.882 -19.949 6.054 1.00 10.00 C ATOM 666 CG TYR A 47 -7.804 -21.415 5.704 1.00 10.00 C ATOM 667 CD1 TYR A 47 -7.808 -22.379 6.720 1.00 10.00 C ATOM 668 CD2 TYR A 47 -7.728 -21.812 4.363 1.00 10.00 C ATOM 669 CE1 TYR A 47 -7.736 -23.739 6.395 1.00 10.00 C ATOM 670 CE2 TYR A 47 -7.657 -23.171 4.039 1.00 10.00 C ATOM 671 CZ TYR A 47 -7.660 -24.134 5.055 1.00 10.00 C ATOM 672 OH TYR A 47 -7.590 -25.475 4.734 1.00 10.00 O ATOM 0 H TYR A 47 -10.105 -20.158 5.183 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.099 -20.451 7.798 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -7.999 -19.353 5.149 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -6.956 -19.627 6.530 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -7.867 -22.073 7.754 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -7.724 -21.069 3.579 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -7.739 -24.483 7.178 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -7.600 -23.477 3.005 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.544 -25.576 3.760 1.00 10.00 H new ATOM 682 N ILE A 48 -8.881 -18.310 8.964 1.00 10.00 N ATOM 683 CA ILE A 48 -8.778 -17.004 9.675 1.00 10.00 C ATOM 684 C ILE A 48 -7.673 -16.146 9.052 1.00 10.00 C ATOM 685 O ILE A 48 -7.916 -15.057 8.572 1.00 10.00 O ATOM 686 CB ILE A 48 -8.426 -17.365 11.118 1.00 10.00 C ATOM 687 CG1 ILE A 48 -9.567 -18.176 11.735 1.00 10.00 C ATOM 688 CG2 ILE A 48 -8.212 -16.085 11.928 1.00 10.00 C ATOM 689 CD1 ILE A 48 -9.300 -18.380 13.229 1.00 10.00 C ATOM 0 H ILE A 48 -8.883 -19.133 9.567 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.701 -16.427 9.612 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.512 -17.958 11.130 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -10.515 -17.657 11.592 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.653 -19.141 11.235 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -7.961 -16.343 12.957 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.397 -15.509 11.489 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -9.125 -15.490 11.916 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -10.113 -18.958 13.668 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -8.361 -18.917 13.361 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -9.236 -17.410 13.723 1.00 10.00 H new ATOM 701 N LEU A 49 -6.460 -16.628 9.056 1.00 10.00 N ATOM 702 CA LEU A 49 -5.342 -15.840 8.463 1.00 10.00 C ATOM 703 C LEU A 49 -5.734 -15.331 7.073 1.00 10.00 C ATOM 704 O LEU A 49 -5.388 -14.233 6.683 1.00 10.00 O ATOM 705 CB LEU A 49 -4.173 -16.821 8.368 1.00 10.00 C ATOM 706 CG LEU A 49 -3.104 -16.253 7.435 1.00 10.00 C ATOM 707 CD1 LEU A 49 -1.725 -16.746 7.877 1.00 10.00 C ATOM 708 CD2 LEU A 49 -3.378 -16.718 6.003 1.00 10.00 C ATOM 0 H LEU A 49 -6.195 -17.533 9.444 1.00 10.00 H new ATOM 0 HA LEU A 49 -5.090 -14.964 9.061 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.751 -16.997 9.357 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -4.522 -17.784 7.995 1.00 10.00 H new ATOM 0 HG LEU A 49 -3.129 -15.164 7.475 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -0.963 -16.341 7.211 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -1.530 -16.414 8.897 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -1.698 -17.835 7.838 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -2.616 -16.313 5.337 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -3.354 -17.807 5.963 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -4.360 -16.365 5.688 1.00 10.00 H new ATOM 720 N GLU A 50 -6.453 -16.119 6.322 1.00 10.00 N ATOM 721 CA GLU A 50 -6.868 -15.678 4.958 1.00 10.00 C ATOM 722 C GLU A 50 -7.934 -14.585 5.061 1.00 10.00 C ATOM 723 O GLU A 50 -7.835 -13.546 4.439 1.00 10.00 O ATOM 724 CB GLU A 50 -7.446 -16.931 4.297 1.00 10.00 C ATOM 725 CG GLU A 50 -8.106 -16.553 2.968 1.00 10.00 C ATOM 726 CD GLU A 50 -7.042 -16.472 1.871 1.00 50.00 C ATOM 727 OE1 GLU A 50 -6.322 -15.487 1.844 1.00 50.00 O ATOM 728 OE2 GLU A 50 -6.966 -17.395 1.077 1.00 50.00 O ATOM 0 H GLU A 50 -6.772 -17.049 6.593 1.00 10.00 H new ATOM 0 HA GLU A 50 -6.039 -15.261 4.386 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -6.656 -17.662 4.127 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -8.176 -17.399 4.957 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -8.861 -17.293 2.702 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -8.618 -15.595 3.064 1.00 10.00 H new ATOM 735 N ALA A 51 -8.954 -14.814 5.841 1.00 10.00 N ATOM 736 CA ALA A 51 -10.029 -13.791 5.983 1.00 10.00 C ATOM 737 C ALA A 51 -9.449 -12.482 6.518 1.00 10.00 C ATOM 738 O ALA A 51 -9.625 -11.429 5.940 1.00 10.00 O ATOM 739 CB ALA A 51 -11.014 -14.392 6.985 1.00 12.50 C ATOM 0 H ALA A 51 -9.090 -15.665 6.386 1.00 10.00 H new ATOM 0 HA ALA A 51 -10.506 -13.558 5.031 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.839 -13.698 7.145 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.402 -15.333 6.594 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.505 -14.575 7.931 1.00 12.50 H new ATOM 745 N ALA A 52 -8.759 -12.545 7.617 1.00 10.00 N ATOM 746 CA ALA A 52 -8.162 -11.309 8.196 1.00 10.00 C ATOM 747 C ALA A 52 -7.122 -10.730 7.237 1.00 10.00 C ATOM 748 O ALA A 52 -6.950 -9.532 7.138 1.00 10.00 O ATOM 749 CB ALA A 52 -7.505 -11.756 9.501 1.00 10.00 C ATOM 0 H ALA A 52 -8.580 -13.400 8.143 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.905 -10.530 8.366 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -7.042 -10.898 9.988 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.260 -12.183 10.161 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.744 -12.506 9.287 1.00 10.00 H new ATOM 755 N GLU A 53 -6.433 -11.575 6.524 1.00 10.00 N ATOM 756 CA GLU A 53 -5.409 -11.075 5.563 1.00 10.00 C ATOM 757 C GLU A 53 -6.091 -10.256 4.464 1.00 10.00 C ATOM 758 O GLU A 53 -5.500 -9.374 3.875 1.00 10.00 O ATOM 759 CB GLU A 53 -4.761 -12.330 4.977 1.00 10.00 C ATOM 760 CG GLU A 53 -3.914 -11.946 3.762 1.00 10.00 C ATOM 761 CD GLU A 53 -3.163 -13.177 3.251 1.00 10.00 C ATOM 762 OE1 GLU A 53 -2.117 -13.479 3.802 1.00 10.00 O ATOM 763 OE2 GLU A 53 -3.646 -13.797 2.318 1.00 10.00 O ATOM 0 H GLU A 53 -6.533 -12.589 6.564 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.671 -10.428 6.038 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.139 -12.816 5.729 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -5.529 -13.047 4.687 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -4.551 -11.543 2.975 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -3.207 -11.162 4.032 1.00 10.00 H new ATOM 770 N ALA A 54 -7.335 -10.542 4.192 1.00 10.00 N ATOM 771 CA ALA A 54 -8.063 -9.781 3.138 1.00 10.00 C ATOM 772 C ALA A 54 -8.400 -8.377 3.647 1.00 10.00 C ATOM 773 O ALA A 54 -8.597 -7.457 2.878 1.00 10.00 O ATOM 774 CB ALA A 54 -9.342 -10.580 2.884 1.00 50.00 C ATOM 0 H ALA A 54 -7.879 -11.270 4.655 1.00 10.00 H new ATOM 0 HA ALA A 54 -7.473 -9.660 2.230 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -9.935 -10.083 2.117 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -9.083 -11.584 2.548 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -9.920 -10.644 3.806 1.00 50.00 H new ATOM 780 N GLN A 55 -8.468 -8.208 4.940 1.00 10.00 N ATOM 781 CA GLN A 55 -8.791 -6.865 5.503 1.00 10.00 C ATOM 782 C GLN A 55 -7.515 -6.033 5.657 1.00 10.00 C ATOM 783 O GLN A 55 -7.565 -4.841 5.890 1.00 10.00 O ATOM 784 CB GLN A 55 -9.407 -7.149 6.873 1.00 10.00 C ATOM 785 CG GLN A 55 -10.899 -7.443 6.715 1.00 10.00 C ATOM 786 CD GLN A 55 -11.634 -6.160 6.328 1.00 10.00 C ATOM 787 OE1 GLN A 55 -11.031 -5.110 6.215 1.00 10.00 O ATOM 788 NE2 GLN A 55 -12.922 -6.197 6.118 1.00 10.00 N ATOM 0 H GLN A 55 -8.314 -8.942 5.631 1.00 10.00 H new ATOM 0 HA GLN A 55 -9.464 -6.300 4.858 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.906 -7.998 7.339 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.263 -6.293 7.532 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -11.051 -8.206 5.952 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -11.303 -7.839 7.647 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -13.429 -7.077 6.212 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -13.421 -5.346 5.859 1.00 10.00 H new ATOM 797 N GLY A 56 -6.374 -6.652 5.533 1.00 10.00 N ATOM 798 CA GLY A 56 -5.097 -5.900 5.679 1.00 10.00 C ATOM 799 C GLY A 56 -4.325 -6.435 6.889 1.00 10.00 C ATOM 800 O GLY A 56 -3.259 -5.955 7.219 1.00 10.00 O ATOM 0 H GLY A 56 -6.271 -7.648 5.337 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -4.496 -6.004 4.776 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.301 -4.837 5.805 1.00 10.00 H new ATOM 804 N TYR A 57 -4.858 -7.427 7.552 1.00 10.00 N ATOM 805 CA TYR A 57 -4.158 -7.995 8.740 1.00 10.00 C ATOM 806 C TYR A 57 -3.019 -8.915 8.291 1.00 10.00 C ATOM 807 O TYR A 57 -3.193 -9.763 7.440 1.00 10.00 O ATOM 808 CB TYR A 57 -5.232 -8.791 9.480 1.00 10.00 C ATOM 809 CG TYR A 57 -6.381 -7.881 9.844 1.00 10.00 C ATOM 810 CD1 TYR A 57 -6.157 -6.519 10.073 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.674 -8.405 9.951 1.00 10.00 C ATOM 812 CE1 TYR A 57 -7.227 -5.681 10.409 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.744 -7.569 10.288 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.520 -6.206 10.517 1.00 12.50 C ATOM 815 OH TYR A 57 -9.575 -5.380 10.849 1.00 12.50 O ATOM 0 H TYR A 57 -5.748 -7.868 7.322 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.712 -7.225 9.370 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.588 -9.609 8.854 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.811 -9.239 10.380 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -5.159 -6.114 9.991 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.846 -9.456 9.773 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -7.055 -4.629 10.585 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.742 -7.974 10.371 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.715 -5.402 11.819 1.00 12.50 H new ATOM 825 N ASP A 58 -1.853 -8.750 8.854 1.00 10.00 N ATOM 826 CA ASP A 58 -0.703 -9.614 8.456 1.00 10.00 C ATOM 827 C ASP A 58 -0.452 -10.690 9.517 1.00 10.00 C ATOM 828 O ASP A 58 -0.527 -10.436 10.703 1.00 10.00 O ATOM 829 CB ASP A 58 0.491 -8.663 8.363 1.00 10.00 C ATOM 830 CG ASP A 58 1.783 -9.475 8.243 1.00 10.00 C ATOM 831 OD1 ASP A 58 2.108 -10.176 9.186 1.00 10.00 O ATOM 832 OD2 ASP A 58 2.424 -9.380 7.209 1.00 10.00 O ATOM 0 H ASP A 58 -1.646 -8.055 9.572 1.00 10.00 H new ATOM 0 HA ASP A 58 -0.885 -10.135 7.516 1.00 10.00 H new ATOM 0 HB2 ASP A 58 0.380 -8.007 7.500 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.531 -8.025 9.246 1.00 10.00 H new ATOM 837 N TRP A 59 -0.154 -11.890 9.099 1.00 10.00 N ATOM 838 CA TRP A 59 0.103 -12.981 10.085 1.00 10.00 C ATOM 839 C TRP A 59 1.383 -13.734 9.722 1.00 10.00 C ATOM 840 O TRP A 59 1.695 -13.909 8.561 1.00 10.00 O ATOM 841 CB TRP A 59 -1.104 -13.912 9.972 1.00 10.00 C ATOM 842 CG TRP A 59 -2.358 -13.126 10.162 1.00 10.00 C ATOM 843 CD1 TRP A 59 -2.847 -12.225 9.281 1.00 10.00 C ATOM 844 CD2 TRP A 59 -3.288 -13.151 11.282 1.00 10.00 C ATOM 845 NE1 TRP A 59 -4.016 -11.695 9.789 1.00 50.00 N ATOM 846 CE2 TRP A 59 -4.330 -12.233 11.020 1.00 50.00 C ATOM 847 CE3 TRP A 59 -3.328 -13.874 12.488 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -5.375 -12.036 11.922 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -4.381 -13.678 13.399 1.00 50.00 C ATOM 850 CH2 TRP A 59 -5.401 -12.760 13.115 1.00 50.00 C ATOM 0 H TRP A 59 -0.077 -12.163 8.119 1.00 10.00 H new ATOM 0 HA TRP A 59 0.233 -12.595 11.096 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.111 -14.399 8.997 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -1.040 -14.701 10.721 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -2.397 -11.963 8.335 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -4.579 -10.991 9.312 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -2.546 -14.583 12.715 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -6.159 -11.328 11.699 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -4.404 -14.238 14.322 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -6.207 -12.613 13.819 1.00 50.00 H new ATOM 861 N PRO A 60 2.081 -14.163 10.738 1.00 10.00 N ATOM 862 CA PRO A 60 3.339 -14.915 10.532 1.00 10.00 C ATOM 863 C PRO A 60 3.029 -16.332 10.042 1.00 10.00 C ATOM 864 O PRO A 60 2.114 -16.976 10.516 1.00 10.00 O ATOM 865 CB PRO A 60 3.971 -14.943 11.921 1.00 10.00 C ATOM 866 CG PRO A 60 2.826 -14.787 12.871 1.00 10.00 C ATOM 867 CD PRO A 60 1.765 -13.987 12.161 1.00 10.00 C ATOM 0 HA PRO A 60 3.994 -14.468 9.784 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.502 -15.879 12.094 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.696 -14.138 12.041 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.438 -15.761 13.170 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.147 -14.279 13.780 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.765 -14.352 12.396 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.797 -12.937 12.450 1.00 10.00 H new ATOM 875 N PHE A 61 3.781 -16.820 9.095 1.00 10.00 N ATOM 876 CA PHE A 61 3.527 -18.194 8.574 1.00 10.00 C ATOM 877 C PHE A 61 4.783 -18.733 7.891 1.00 10.00 C ATOM 878 O PHE A 61 5.594 -17.985 7.380 1.00 10.00 O ATOM 879 CB PHE A 61 2.392 -18.035 7.563 1.00 10.00 C ATOM 880 CG PHE A 61 2.893 -17.285 6.353 1.00 10.00 C ATOM 881 CD1 PHE A 61 3.486 -17.983 5.294 1.00 10.00 C ATOM 882 CD2 PHE A 61 2.764 -15.892 6.289 1.00 10.00 C ATOM 883 CE1 PHE A 61 3.951 -17.287 4.171 1.00 10.00 C ATOM 884 CE2 PHE A 61 3.229 -15.197 5.167 1.00 10.00 C ATOM 885 CZ PHE A 61 3.822 -15.895 4.108 1.00 10.00 C ATOM 0 H PHE A 61 4.561 -16.328 8.659 1.00 10.00 H new ATOM 0 HA PHE A 61 3.266 -18.896 9.366 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.016 -19.014 7.266 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.559 -17.498 8.017 1.00 10.00 H new ATOM 0 HD1 PHE A 61 3.585 -19.057 5.343 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.306 -15.354 7.106 1.00 10.00 H new ATOM 0 HE1 PHE A 61 4.409 -17.825 3.354 1.00 10.00 H new ATOM 0 HE2 PHE A 61 3.131 -14.123 5.118 1.00 10.00 H new ATOM 0 HZ PHE A 61 4.180 -15.359 3.242 1.00 10.00 H new ATOM 895 N SER A 62 4.960 -20.024 7.885 1.00 10.00 N ATOM 896 CA SER A 62 6.171 -20.603 7.242 1.00 10.00 C ATOM 897 C SER A 62 5.840 -21.933 6.561 1.00 10.00 C ATOM 898 O SER A 62 6.047 -22.104 5.376 1.00 10.00 O ATOM 899 CB SER A 62 7.152 -20.827 8.393 1.00 10.00 C ATOM 900 OG SER A 62 6.604 -21.766 9.305 1.00 10.00 O ATOM 0 H SER A 62 4.319 -20.702 8.297 1.00 10.00 H new ATOM 0 HA SER A 62 6.576 -19.949 6.470 1.00 10.00 H new ATOM 0 HB2 SER A 62 8.104 -21.191 8.008 1.00 10.00 H new ATOM 0 HB3 SER A 62 7.354 -19.884 8.902 1.00 10.00 H new ATOM 0 HG SER A 62 7.322 -22.151 9.849 1.00 10.00 H new ATOM 906 N CYS A 63 5.350 -22.883 7.308 1.00 10.00 N ATOM 907 CA CYS A 63 5.031 -24.212 6.714 1.00 10.00 C ATOM 908 C CYS A 63 3.710 -24.165 5.914 1.00 10.00 C ATOM 909 O CYS A 63 3.576 -24.814 4.895 1.00 10.00 O ATOM 910 CB CYS A 63 4.978 -25.161 7.924 1.00 10.00 C ATOM 911 SG CYS A 63 3.307 -25.262 8.610 1.00 10.00 S ATOM 0 H CYS A 63 5.156 -22.797 8.306 1.00 10.00 H new ATOM 0 HA CYS A 63 5.769 -24.546 5.985 1.00 10.00 H new ATOM 0 HB2 CYS A 63 5.311 -26.155 7.624 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.668 -24.812 8.692 1.00 10.00 H new ATOM 0 HG CYS A 63 3.281 -24.687 9.775 1.00 10.00 H new ATOM 916 N ARG A 64 2.752 -23.385 6.344 1.00 10.00 N ATOM 917 CA ARG A 64 1.461 -23.278 5.580 1.00 10.00 C ATOM 918 C ARG A 64 0.757 -24.639 5.446 1.00 10.00 C ATOM 919 O ARG A 64 0.057 -24.893 4.485 1.00 10.00 O ATOM 920 CB ARG A 64 1.870 -22.762 4.200 1.00 10.00 C ATOM 921 CG ARG A 64 2.770 -21.534 4.357 1.00 10.00 C ATOM 922 CD ARG A 64 2.315 -20.442 3.386 1.00 10.00 C ATOM 923 NE ARG A 64 2.475 -21.044 2.032 1.00 10.00 N ATOM 924 CZ ARG A 64 3.663 -21.155 1.503 1.00 10.00 C ATOM 925 NH1 ARG A 64 4.320 -22.277 1.608 1.00 10.00 N ATOM 926 NH2 ARG A 64 4.192 -20.143 0.873 1.00 10.00 N ATOM 0 H ARG A 64 2.802 -22.816 7.189 1.00 10.00 H new ATOM 0 HA ARG A 64 0.754 -22.624 6.090 1.00 10.00 H new ATOM 0 HB2 ARG A 64 2.395 -23.543 3.650 1.00 10.00 H new ATOM 0 HB3 ARG A 64 0.984 -22.504 3.620 1.00 10.00 H new ATOM 0 HG2 ARG A 64 2.726 -21.166 5.382 1.00 10.00 H new ATOM 0 HG3 ARG A 64 3.808 -21.802 4.159 1.00 10.00 H new ATOM 0 HD2 ARG A 64 1.280 -20.155 3.571 1.00 10.00 H new ATOM 0 HD3 ARG A 64 2.920 -19.541 3.492 1.00 10.00 H new ATOM 0 HE ARG A 64 1.656 -21.369 1.519 1.00 10.00 H new ATOM 0 HH11 ARG A 64 3.905 -23.066 2.103 1.00 10.00 H new ATOM 0 HH12 ARG A 64 5.248 -22.365 1.195 1.00 10.00 H new ATOM 0 HH21 ARG A 64 3.677 -19.266 0.794 1.00 10.00 H new ATOM 0 HH22 ARG A 64 5.120 -20.229 0.459 1.00 10.00 H new ATOM 940 N ALA A 65 0.930 -25.505 6.399 1.00 10.00 N ATOM 941 CA ALA A 65 0.272 -26.842 6.342 1.00 10.00 C ATOM 942 C ALA A 65 -0.267 -27.231 7.726 1.00 10.00 C ATOM 943 O ALA A 65 -0.797 -28.309 7.913 1.00 10.00 O ATOM 944 CB ALA A 65 1.374 -27.806 5.904 1.00 10.00 C ATOM 0 H ALA A 65 1.505 -25.345 7.226 1.00 10.00 H new ATOM 0 HA ALA A 65 -0.577 -26.855 5.659 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.969 -28.816 5.838 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.756 -27.503 4.929 1.00 10.00 H new ATOM 0 HB3 ALA A 65 2.185 -27.787 6.633 1.00 10.00 H new ATOM 950 N GLY A 66 -0.134 -26.366 8.699 1.00 10.00 N ATOM 951 CA GLY A 66 -0.637 -26.696 10.063 1.00 10.00 C ATOM 952 C GLY A 66 0.314 -27.694 10.735 1.00 10.00 C ATOM 953 O GLY A 66 -0.112 -28.597 11.426 1.00 10.00 O ATOM 0 H GLY A 66 0.300 -25.448 8.607 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.712 -25.789 10.663 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.639 -27.120 9.999 1.00 10.00 H new ATOM 957 N ALA A 67 1.596 -27.544 10.533 1.00 10.00 N ATOM 958 CA ALA A 67 2.564 -28.494 11.157 1.00 10.00 C ATOM 959 C ALA A 67 3.698 -27.744 11.872 1.00 10.00 C ATOM 960 O ALA A 67 4.761 -28.288 12.097 1.00 10.00 O ATOM 961 CB ALA A 67 3.121 -29.310 9.990 1.00 10.00 C ATOM 0 H ALA A 67 2.014 -26.807 9.965 1.00 10.00 H new ATOM 0 HA ALA A 67 2.085 -29.117 11.912 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.843 -30.035 10.365 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.306 -29.835 9.491 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.611 -28.643 9.281 1.00 10.00 H new ATOM 967 N CYS A 68 3.485 -26.509 12.245 1.00 10.00 N ATOM 968 CA CYS A 68 4.562 -25.754 12.957 1.00 10.00 C ATOM 969 C CYS A 68 3.945 -24.709 13.901 1.00 10.00 C ATOM 970 O CYS A 68 2.751 -24.691 14.120 1.00 10.00 O ATOM 971 CB CYS A 68 5.411 -25.110 11.846 1.00 10.00 C ATOM 972 SG CYS A 68 4.762 -23.482 11.386 1.00 10.00 S ATOM 0 H CYS A 68 2.619 -25.993 12.090 1.00 10.00 H new ATOM 0 HA CYS A 68 5.178 -26.395 13.588 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.442 -25.011 12.184 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.423 -25.760 10.971 1.00 10.00 H new ATOM 0 HG CYS A 68 5.573 -22.913 10.544 1.00 10.00 H new ATOM 977 N ALA A 69 4.748 -23.852 14.477 1.00 10.00 N ATOM 978 CA ALA A 69 4.192 -22.832 15.418 1.00 10.00 C ATOM 979 C ALA A 69 4.588 -21.411 14.998 1.00 10.00 C ATOM 980 O ALA A 69 4.337 -20.456 15.707 1.00 10.00 O ATOM 981 CB ALA A 69 4.810 -23.177 16.773 1.00 25.00 C ATOM 0 H ALA A 69 5.758 -23.813 14.338 1.00 10.00 H new ATOM 0 HA ALA A 69 3.102 -22.852 15.436 1.00 10.00 H new ATOM 0 HB1 ALA A 69 4.453 -22.474 17.525 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.522 -24.189 17.057 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.896 -23.115 16.704 1.00 25.00 H new ATOM 987 N ASN A 70 5.200 -21.259 13.858 1.00 10.00 N ATOM 988 CA ASN A 70 5.604 -19.895 13.405 1.00 10.00 C ATOM 989 C ASN A 70 4.380 -18.977 13.331 1.00 10.00 C ATOM 990 O ASN A 70 4.456 -17.799 13.622 1.00 10.00 O ATOM 991 CB ASN A 70 6.200 -20.103 12.012 1.00 50.00 C ATOM 992 CG ASN A 70 7.641 -20.596 12.140 1.00 50.00 C ATOM 993 OD1 ASN A 70 7.964 -21.334 13.050 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.528 -20.221 11.260 1.00 50.00 N ATOM 0 H ASN A 70 5.439 -22.018 13.219 1.00 10.00 H new ATOM 0 HA ASN A 70 6.312 -19.426 14.088 1.00 10.00 H new ATOM 0 HB2 ASN A 70 5.605 -20.827 11.455 1.00 50.00 H new ATOM 0 HB3 ASN A 70 6.173 -19.169 11.450 1.00 50.00 H new ATOM 0 HD21 ASN A 70 9.491 -20.547 11.336 1.00 50.00 H new ATOM 0 HD22 ASN A 70 8.258 -19.602 10.496 1.00 50.00 H new ATOM 1001 N CYS A 71 3.254 -19.509 12.943 1.00 10.00 N ATOM 1002 CA CYS A 71 2.020 -18.673 12.847 1.00 10.00 C ATOM 1003 C CYS A 71 1.202 -18.784 14.140 1.00 10.00 C ATOM 1004 O CYS A 71 0.051 -18.400 14.195 1.00 10.00 O ATOM 1005 CB CYS A 71 1.247 -19.256 11.659 1.00 10.00 C ATOM 1006 SG CYS A 71 0.491 -20.831 12.138 1.00 10.00 S ATOM 0 H CYS A 71 3.133 -20.489 12.687 1.00 10.00 H new ATOM 0 HA CYS A 71 2.241 -17.615 12.709 1.00 10.00 H new ATOM 0 HB2 CYS A 71 0.477 -18.556 11.334 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.919 -19.406 10.814 1.00 10.00 H new ATOM 0 HG CYS A 71 -0.767 -20.826 11.811 1.00 10.00 H new ATOM 1011 N ALA A 72 1.788 -19.324 15.173 1.00 10.00 N ATOM 1012 CA ALA A 72 1.052 -19.484 16.464 1.00 10.00 C ATOM 1013 C ALA A 72 0.316 -18.194 16.853 1.00 10.00 C ATOM 1014 O ALA A 72 0.669 -17.107 16.438 1.00 10.00 O ATOM 1015 CB ALA A 72 2.133 -19.812 17.494 1.00 10.00 C ATOM 0 H ALA A 72 2.750 -19.664 15.181 1.00 10.00 H new ATOM 0 HA ALA A 72 0.289 -20.260 16.397 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.674 -19.945 18.474 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.644 -20.730 17.205 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.853 -18.995 17.539 1.00 10.00 H new ATOM 1021 N SER A 73 -0.703 -18.320 17.662 1.00 10.00 N ATOM 1022 CA SER A 73 -1.480 -17.126 18.107 1.00 10.00 C ATOM 1023 C SER A 73 -1.895 -17.299 19.569 1.00 10.00 C ATOM 1024 O SER A 73 -1.333 -18.096 20.292 1.00 10.00 O ATOM 1025 CB SER A 73 -2.710 -17.093 17.199 1.00 50.00 C ATOM 1026 OG SER A 73 -2.731 -15.871 16.475 1.00 50.00 O ATOM 0 H SER A 73 -1.033 -19.209 18.037 1.00 10.00 H new ATOM 0 HA SER A 73 -0.905 -16.202 18.041 1.00 10.00 H new ATOM 0 HB2 SER A 73 -2.689 -17.937 16.509 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.618 -17.191 17.794 1.00 50.00 H new ATOM 0 HG SER A 73 -3.165 -15.178 17.015 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.873 -16.562 20.009 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.325 -16.691 21.425 1.00 10.00 C ATOM 1034 C ILE A 74 -4.836 -16.455 21.522 1.00 10.00 C ATOM 1035 O ILE A 74 -5.285 -15.403 21.931 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.559 -15.613 22.191 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -1.100 -16.044 22.357 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.194 -15.420 23.570 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -1.038 -17.328 23.187 1.00 10.00 C ATOM 0 H ILE A 74 -3.381 -15.875 19.452 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.134 -17.685 21.829 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.600 -14.675 21.637 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.645 -16.208 21.380 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.530 -15.254 22.846 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.648 -14.651 24.117 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -4.233 -15.113 23.452 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.153 -16.358 24.124 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.001 -17.635 23.305 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -1.477 -17.148 24.168 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.594 -18.116 22.680 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.620 -17.431 21.153 1.00 10.00 N ATOM 1052 CA VAL A 75 -7.104 -17.270 21.225 1.00 10.00 C ATOM 1053 C VAL A 75 -7.512 -16.741 22.604 1.00 10.00 C ATOM 1054 O VAL A 75 -7.300 -17.385 23.611 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.664 -18.676 21.003 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -6.925 -19.668 21.902 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -9.156 -18.690 21.342 1.00 50.00 C ATOM 0 H VAL A 75 -5.299 -18.334 20.804 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.480 -16.560 20.489 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.527 -18.962 19.960 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -7.324 -20.670 21.744 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -5.863 -19.658 21.659 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.061 -19.384 22.946 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.556 -19.692 21.184 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.295 -18.404 22.385 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.682 -17.984 20.699 1.00 50.00 H new ATOM 1067 N LYS A 76 -8.096 -15.573 22.660 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.509 -15.014 23.980 1.00 10.00 C ATOM 1069 C LYS A 76 -9.875 -15.571 24.392 1.00 10.00 C ATOM 1070 O LYS A 76 -10.279 -15.466 25.533 1.00 10.00 O ATOM 1071 CB LYS A 76 -8.590 -13.503 23.765 1.00 25.00 C ATOM 1072 CG LYS A 76 -8.476 -12.791 25.115 1.00 25.00 C ATOM 1073 CD LYS A 76 -9.582 -11.739 25.234 1.00 50.00 C ATOM 1074 CE LYS A 76 -10.681 -12.257 26.165 1.00 50.00 C ATOM 1075 NZ LYS A 76 -11.036 -11.091 27.022 1.00 50.00 N ATOM 0 H LYS A 76 -8.304 -14.985 21.853 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.809 -15.276 24.773 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -7.791 -13.176 23.100 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -9.532 -13.243 23.283 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -8.558 -13.514 25.927 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -7.498 -12.318 25.207 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -9.172 -10.807 25.622 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -9.997 -11.520 24.250 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -11.544 -12.610 25.600 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -10.328 -13.096 26.765 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -11.785 -11.366 27.689 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -10.197 -10.781 27.552 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -11.375 -10.311 26.424 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.589 -16.161 23.474 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.928 -16.721 23.819 1.00 10.00 C ATOM 1091 C GLU A 77 -12.578 -17.334 22.576 1.00 10.00 C ATOM 1092 O GLU A 77 -12.068 -17.225 21.478 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.741 -15.526 24.318 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.440 -15.893 25.631 1.00 10.00 C ATOM 1095 CD GLU A 77 -13.949 -14.620 26.310 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -13.124 -13.813 26.705 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -15.155 -14.475 26.424 1.00 25.00 O ATOM 0 H GLU A 77 -10.305 -16.280 22.502 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.867 -17.511 24.568 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -12.088 -14.667 24.470 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.479 -15.237 23.570 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -14.271 -16.571 25.436 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -12.748 -16.418 26.290 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.701 -17.980 22.739 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.379 -18.600 21.566 1.00 10.00 C ATOM 1106 C GLY A 78 -13.669 -19.904 21.202 1.00 10.00 C ATOM 1107 O GLY A 78 -12.959 -20.481 22.001 1.00 10.00 O ATOM 0 H GLY A 78 -14.177 -18.105 23.632 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.426 -18.795 21.798 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.363 -17.915 20.718 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.853 -20.377 19.999 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.187 -21.645 19.587 1.00 10.00 C ATOM 1113 C GLU A 79 -12.934 -21.645 18.077 1.00 10.00 C ATOM 1114 O GLU A 79 -13.689 -21.083 17.310 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.174 -22.750 19.964 1.00 25.00 C ATOM 1116 CG GLU A 79 -13.463 -24.104 19.921 1.00 25.00 C ATOM 1117 CD GLU A 79 -13.514 -24.752 21.306 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -13.065 -24.122 22.249 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -14.001 -25.867 21.400 1.00 50.00 O ATOM 0 H GLU A 79 -14.435 -19.940 19.284 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.219 -21.779 20.070 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -14.575 -22.569 20.961 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.019 -22.749 19.275 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -13.939 -24.753 19.186 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -12.427 -23.973 19.607 1.00 25.00 H new ATOM 1126 N ILE A 80 -11.876 -22.276 17.645 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.575 -22.316 16.186 1.00 10.00 C ATOM 1128 C ILE A 80 -11.644 -23.759 15.674 1.00 10.00 C ATOM 1129 O ILE A 80 -11.281 -24.690 16.365 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.155 -21.763 16.061 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.122 -20.324 16.582 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.727 -21.783 14.593 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -8.687 -19.796 16.538 1.00 50.00 C ATOM 0 H ILE A 80 -11.207 -22.765 18.240 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.287 -21.738 15.597 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.472 -22.378 16.647 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -10.772 -19.692 15.976 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -10.503 -20.287 17.603 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.715 -21.389 14.504 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.752 -22.807 14.221 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.409 -21.167 14.007 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -8.665 -18.771 16.909 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.050 -20.422 17.162 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -8.323 -19.818 15.511 1.00 50.00 H new ATOM 1145 N ASP A 81 -12.114 -23.951 14.472 1.00 10.00 N ATOM 1146 CA ASP A 81 -12.211 -25.334 13.921 1.00 10.00 C ATOM 1147 C ASP A 81 -10.927 -25.706 13.176 1.00 10.00 C ATOM 1148 O ASP A 81 -10.396 -24.931 12.405 1.00 10.00 O ATOM 1149 CB ASP A 81 -13.397 -25.292 12.957 1.00 10.00 C ATOM 1150 CG ASP A 81 -14.445 -26.318 13.390 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -14.352 -27.454 12.953 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -15.323 -25.952 14.154 1.00 10.00 O ATOM 0 H ASP A 81 -12.435 -23.211 13.847 1.00 10.00 H new ATOM 0 HA ASP A 81 -12.345 -26.079 14.705 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.834 -24.293 12.945 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -13.062 -25.505 11.942 1.00 10.00 H new ATOM 1157 N MET A 82 -10.426 -26.890 13.398 1.00 12.50 N ATOM 1158 CA MET A 82 -9.178 -27.318 12.702 1.00 12.50 C ATOM 1159 C MET A 82 -9.351 -28.730 12.133 1.00 12.50 C ATOM 1160 O MET A 82 -10.434 -29.281 12.135 1.00 12.50 O ATOM 1161 CB MET A 82 -8.096 -27.301 13.781 1.00 12.50 C ATOM 1162 CG MET A 82 -6.979 -26.341 13.366 1.00 12.50 C ATOM 1163 SD MET A 82 -6.789 -25.056 14.628 1.00 12.50 S ATOM 1164 CE MET A 82 -6.455 -26.157 16.024 1.00 50.00 C ATOM 0 H MET A 82 -10.827 -27.581 14.032 1.00 12.50 H new ATOM 0 HA MET A 82 -8.926 -26.667 11.865 1.00 12.50 H new ATOM 0 HB2 MET A 82 -8.523 -26.989 14.734 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.694 -28.304 13.924 1.00 12.50 H new ATOM 0 HG2 MET A 82 -6.043 -26.886 13.243 1.00 12.50 H new ATOM 0 HG3 MET A 82 -7.213 -25.888 12.403 1.00 12.50 H new ATOM 0 HE1 MET A 82 -5.715 -25.699 16.680 1.00 50.00 H new ATOM 0 HE2 MET A 82 -7.376 -26.328 16.581 1.00 50.00 H new ATOM 0 HE3 MET A 82 -6.073 -27.108 15.654 1.00 50.00 H new ATOM 1174 N ASP A 83 -8.295 -29.320 11.644 1.00 50.00 N ATOM 1175 CA ASP A 83 -8.407 -30.694 11.075 1.00 50.00 C ATOM 1176 C ASP A 83 -7.554 -31.677 11.882 1.00 50.00 C ATOM 1177 O ASP A 83 -6.933 -31.317 12.861 1.00 50.00 O ATOM 1178 CB ASP A 83 -7.880 -30.574 9.644 1.00 50.00 C ATOM 1179 CG ASP A 83 -8.670 -29.497 8.899 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -9.855 -29.698 8.686 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -8.077 -28.487 8.553 1.00 50.00 O ATOM 0 H ASP A 83 -7.361 -28.912 11.614 1.00 50.00 H new ATOM 0 HA ASP A 83 -9.430 -31.069 11.103 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -6.820 -30.320 9.655 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -7.973 -31.530 9.129 1.00 50.00 H new ATOM 1186 N MET A 84 -7.523 -32.918 11.476 1.00 50.00 N ATOM 1187 CA MET A 84 -6.714 -33.927 12.220 1.00 50.00 C ATOM 1188 C MET A 84 -5.225 -33.582 12.137 1.00 50.00 C ATOM 1189 O MET A 84 -4.683 -33.373 11.070 1.00 50.00 O ATOM 1190 CB MET A 84 -6.998 -35.255 11.518 1.00 50.00 C ATOM 1191 CG MET A 84 -6.802 -36.407 12.505 1.00 50.00 C ATOM 1192 SD MET A 84 -5.605 -37.584 11.830 1.00 50.00 S ATOM 1193 CE MET A 84 -5.259 -38.467 13.372 1.00 50.00 C ATOM 0 H MET A 84 -8.022 -33.277 10.662 1.00 50.00 H new ATOM 0 HA MET A 84 -6.970 -33.961 13.279 1.00 50.00 H new ATOM 0 HB2 MET A 84 -8.017 -35.263 11.131 1.00 50.00 H new ATOM 0 HB3 MET A 84 -6.332 -35.377 10.664 1.00 50.00 H new ATOM 0 HG2 MET A 84 -6.450 -36.023 13.463 1.00 50.00 H new ATOM 0 HG3 MET A 84 -7.753 -36.906 12.691 1.00 50.00 H new ATOM 0 HE1 MET A 84 -4.529 -39.255 13.184 1.00 50.00 H new ATOM 0 HE2 MET A 84 -4.859 -37.770 14.109 1.00 50.00 H new ATOM 0 HE3 MET A 84 -6.180 -38.909 13.753 1.00 50.00 H new ATOM 1203 N GLN A 85 -4.559 -33.519 13.259 1.00 16.66 N ATOM 1204 CA GLN A 85 -3.105 -33.187 13.248 1.00 16.66 C ATOM 1205 C GLN A 85 -2.467 -33.566 14.588 1.00 16.66 C ATOM 1206 O GLN A 85 -3.028 -34.319 15.361 1.00 16.66 O ATOM 1207 CB GLN A 85 -3.048 -31.674 13.038 1.00 16.66 C ATOM 1208 CG GLN A 85 -3.715 -30.973 14.223 1.00 16.66 C ATOM 1209 CD GLN A 85 -4.164 -29.573 13.800 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -5.330 -29.243 13.890 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -3.281 -28.729 13.340 1.00 16.66 N ATOM 0 H GLN A 85 -4.959 -33.683 14.183 1.00 16.66 H new ATOM 0 HA GLN A 85 -2.563 -33.728 12.473 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -2.012 -31.347 12.944 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -3.553 -31.405 12.110 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -4.571 -31.553 14.567 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -3.019 -30.906 15.059 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -2.302 -29.006 13.264 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -3.570 -27.793 13.056 1.00 16.66 H new ATOM 1220 N GLN A 86 -1.301 -33.050 14.871 1.00 16.66 N ATOM 1221 CA GLN A 86 -0.633 -33.382 16.163 1.00 16.66 C ATOM 1222 C GLN A 86 0.602 -32.498 16.367 1.00 16.66 C ATOM 1223 O GLN A 86 1.569 -32.899 16.982 1.00 16.66 O ATOM 1224 CB GLN A 86 -0.227 -34.851 16.032 1.00 16.66 C ATOM 1225 CG GLN A 86 -0.809 -35.647 17.202 1.00 16.66 C ATOM 1226 CD GLN A 86 -0.017 -35.336 18.474 1.00 50.00 C ATOM 1227 OE1 GLN A 86 1.115 -34.899 18.408 1.00 50.00 O ATOM 1228 NE2 GLN A 86 -0.568 -35.545 19.639 1.00 50.00 N ATOM 0 H GLN A 86 -0.783 -32.414 14.265 1.00 16.66 H new ATOM 0 HA GLN A 86 -1.286 -33.214 17.020 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -0.588 -35.256 15.087 1.00 16.66 H new ATOM 0 HB3 GLN A 86 0.859 -34.940 16.022 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -1.859 -35.392 17.343 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -0.767 -36.715 16.986 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -1.518 -35.912 19.695 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -0.048 -35.341 20.493 1.00 50.00 H new ATOM 1237 N ILE A 87 0.577 -31.298 15.852 1.00 12.50 N ATOM 1238 CA ILE A 87 1.751 -30.392 16.017 1.00 12.50 C ATOM 1239 C ILE A 87 1.634 -29.594 17.319 1.00 12.50 C ATOM 1240 O ILE A 87 2.602 -29.397 18.026 1.00 12.50 O ATOM 1241 CB ILE A 87 1.700 -29.454 14.810 1.00 50.00 C ATOM 1242 CG1 ILE A 87 2.961 -28.586 14.785 1.00 50.00 C ATOM 1243 CG2 ILE A 87 0.468 -28.553 14.914 1.00 50.00 C ATOM 1244 CD1 ILE A 87 4.171 -29.452 14.428 1.00 50.00 C ATOM 0 H ILE A 87 -0.204 -30.906 15.325 1.00 12.50 H new ATOM 0 HA ILE A 87 2.690 -30.944 16.069 1.00 12.50 H new ATOM 0 HB ILE A 87 1.644 -30.044 13.895 1.00 50.00 H new ATOM 0 HG12 ILE A 87 2.848 -27.783 14.057 1.00 50.00 H new ATOM 0 HG13 ILE A 87 3.111 -28.116 15.757 1.00 50.00 H new ATOM 0 HG21 ILE A 87 0.432 -27.885 14.054 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -0.432 -29.168 14.934 1.00 50.00 H new ATOM 0 HG23 ILE A 87 0.525 -27.963 15.829 1.00 50.00 H new ATOM 0 HD11 ILE A 87 5.068 -28.834 14.410 1.00 50.00 H new ATOM 0 HD12 ILE A 87 4.287 -30.239 15.173 1.00 50.00 H new ATOM 0 HD13 ILE A 87 4.020 -29.901 13.446 1.00 50.00 H new ATOM 1256 N LEU A 88 0.457 -29.130 17.640 1.00 12.50 N ATOM 1257 CA LEU A 88 0.283 -28.343 18.895 1.00 12.50 C ATOM 1258 C LEU A 88 -0.208 -29.248 20.029 1.00 12.50 C ATOM 1259 O LEU A 88 -0.636 -30.363 19.806 1.00 12.50 O ATOM 1260 CB LEU A 88 -0.769 -27.287 18.556 1.00 12.50 C ATOM 1261 CG LEU A 88 -2.111 -27.972 18.286 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -2.928 -28.021 19.578 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -2.880 -27.183 17.224 1.00 12.50 C ATOM 0 H LEU A 88 -0.391 -29.261 17.089 1.00 12.50 H new ATOM 0 HA LEU A 88 1.217 -27.895 19.233 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -0.869 -26.580 19.380 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -0.458 -26.716 17.681 1.00 12.50 H new ATOM 0 HG LEU A 88 -1.937 -28.987 17.929 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -3.884 -28.509 19.386 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -2.380 -28.583 20.334 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -3.104 -27.007 19.936 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -3.836 -27.670 17.031 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -3.055 -26.168 17.581 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -2.297 -27.149 16.303 1.00 12.50 H new ATOM 1275 N SER A 89 -0.151 -28.775 21.245 1.00 12.50 N ATOM 1276 CA SER A 89 -0.616 -29.606 22.392 1.00 12.50 C ATOM 1277 C SER A 89 -1.959 -29.082 22.910 1.00 12.50 C ATOM 1278 O SER A 89 -2.241 -27.902 22.846 1.00 12.50 O ATOM 1279 CB SER A 89 0.470 -29.453 23.457 1.00 12.50 C ATOM 1280 OG SER A 89 -0.090 -29.678 24.742 1.00 12.50 O ATOM 0 H SER A 89 0.198 -27.849 21.493 1.00 12.50 H new ATOM 0 HA SER A 89 -0.768 -30.649 22.115 1.00 12.50 H new ATOM 0 HB2 SER A 89 1.278 -30.161 23.272 1.00 12.50 H new ATOM 0 HB3 SER A 89 0.904 -28.454 23.408 1.00 12.50 H new ATOM 0 HG SER A 89 0.607 -29.581 25.424 1.00 12.50 H new ATOM 1286 N ASP A 90 -2.789 -29.950 23.420 1.00 10.00 N ATOM 1287 CA ASP A 90 -4.114 -29.501 23.938 1.00 10.00 C ATOM 1288 C ASP A 90 -3.928 -28.478 25.058 1.00 10.00 C ATOM 1289 O ASP A 90 -4.525 -27.418 25.056 1.00 10.00 O ATOM 1290 CB ASP A 90 -4.783 -30.767 24.472 1.00 10.00 C ATOM 1291 CG ASP A 90 -5.808 -31.272 23.455 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -5.693 -30.906 22.296 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -6.692 -32.014 23.851 1.00 10.00 O ATOM 0 H ASP A 90 -2.608 -30.951 23.501 1.00 10.00 H new ATOM 0 HA ASP A 90 -4.714 -29.018 23.167 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -4.033 -31.535 24.660 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -5.272 -30.559 25.424 1.00 10.00 H new ATOM 1298 N GLU A 91 -3.102 -28.787 26.016 1.00 12.50 N ATOM 1299 CA GLU A 91 -2.872 -27.837 27.140 1.00 12.50 C ATOM 1300 C GLU A 91 -2.440 -26.476 26.591 1.00 12.50 C ATOM 1301 O GLU A 91 -2.531 -25.466 27.260 1.00 12.50 O ATOM 1302 CB GLU A 91 -1.750 -28.464 27.970 1.00 12.50 C ATOM 1303 CG GLU A 91 -2.090 -28.346 29.457 1.00 12.50 C ATOM 1304 CD GLU A 91 -1.788 -29.674 30.156 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -2.342 -30.679 29.742 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -1.007 -29.663 31.093 1.00 50.00 O ATOM 0 H GLU A 91 -2.574 -29.658 26.070 1.00 12.50 H new ATOM 0 HA GLU A 91 -3.770 -27.672 27.735 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -1.623 -29.512 27.697 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.805 -27.963 27.761 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -1.509 -27.543 29.911 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -3.142 -28.088 29.581 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.974 -26.442 25.372 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.538 -25.146 24.777 1.00 10.00 C ATOM 1315 C GLU A 92 -2.756 -24.341 24.318 1.00 10.00 C ATOM 1316 O GLU A 92 -2.809 -23.136 24.468 1.00 10.00 O ATOM 1317 CB GLU A 92 -0.665 -25.526 23.581 1.00 50.00 C ATOM 1318 CG GLU A 92 0.654 -24.753 23.650 1.00 50.00 C ATOM 1319 CD GLU A 92 1.814 -25.692 23.316 1.00 50.00 C ATOM 1320 OE1 GLU A 92 1.588 -26.650 22.594 1.00 50.00 O ATOM 1321 OE2 GLU A 92 2.910 -25.440 23.789 1.00 50.00 O ATOM 0 H GLU A 92 -1.876 -27.254 24.763 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.997 -24.527 25.492 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -0.471 -26.599 23.584 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -1.185 -25.298 22.650 1.00 50.00 H new ATOM 0 HG2 GLU A 92 0.635 -23.918 22.950 1.00 50.00 H new ATOM 0 HG3 GLU A 92 0.789 -24.331 24.646 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.736 -24.997 23.760 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.950 -24.269 23.292 1.00 10.00 C ATOM 1330 C VAL A 93 -5.785 -23.810 24.490 1.00 10.00 C ATOM 1331 O VAL A 93 -6.541 -22.863 24.407 1.00 10.00 O ATOM 1332 CB VAL A 93 -5.726 -25.286 22.455 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -6.807 -24.565 21.649 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -4.766 -25.997 21.499 1.00 10.00 C ATOM 0 H VAL A 93 -3.749 -26.005 23.608 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.700 -23.377 22.718 1.00 10.00 H new ATOM 0 HB VAL A 93 -6.193 -26.018 23.114 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -7.360 -25.290 21.052 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -7.491 -24.058 22.330 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -6.341 -23.832 20.990 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -5.318 -26.722 20.902 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -4.300 -25.264 20.840 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -3.995 -26.511 22.073 1.00 10.00 H new ATOM 1344 N GLU A 94 -5.655 -24.477 25.605 1.00 12.50 N ATOM 1345 CA GLU A 94 -6.444 -24.079 26.807 1.00 12.50 C ATOM 1346 C GLU A 94 -5.645 -23.101 27.672 1.00 12.50 C ATOM 1347 O GLU A 94 -6.126 -22.048 28.042 1.00 12.50 O ATOM 1348 CB GLU A 94 -6.696 -25.380 27.568 1.00 12.50 C ATOM 1349 CG GLU A 94 -7.260 -25.056 28.952 1.00 12.50 C ATOM 1350 CD GLU A 94 -8.222 -26.165 29.385 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -7.810 -27.313 29.386 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -9.355 -25.846 29.710 1.00 12.50 O ATOM 0 H GLU A 94 -5.038 -25.279 25.736 1.00 12.50 H new ATOM 0 HA GLU A 94 -7.373 -23.577 26.537 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -7.395 -26.008 27.016 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -5.768 -25.944 27.664 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -6.449 -24.962 29.674 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -7.779 -24.098 28.929 1.00 12.50 H new ATOM 1359 N GLU A 95 -4.429 -23.441 28.004 1.00 12.50 N ATOM 1360 CA GLU A 95 -3.605 -22.532 28.851 1.00 12.50 C ATOM 1361 C GLU A 95 -2.826 -21.543 27.978 1.00 12.50 C ATOM 1362 O GLU A 95 -2.735 -20.371 28.283 1.00 12.50 O ATOM 1363 CB GLU A 95 -2.646 -23.454 29.606 1.00 25.00 C ATOM 1364 CG GLU A 95 -3.451 -24.491 30.394 1.00 25.00 C ATOM 1365 CD GLU A 95 -2.504 -25.318 31.266 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -1.304 -25.131 31.146 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -2.995 -26.124 32.039 1.00 50.00 O ATOM 0 H GLU A 95 -3.971 -24.309 27.725 1.00 12.50 H new ATOM 0 HA GLU A 95 -4.217 -21.936 29.528 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -1.977 -23.953 28.905 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -2.021 -22.871 30.283 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -4.194 -23.993 31.017 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -3.994 -25.142 29.709 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.257 -22.005 26.898 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.482 -21.086 26.014 1.00 25.00 C ATOM 1376 C LYS A 96 -2.404 -20.431 24.982 1.00 25.00 C ATOM 1377 O LYS A 96 -1.996 -19.566 24.233 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.451 -21.978 25.322 1.00 25.00 C ATOM 1379 CG LYS A 96 0.883 -21.235 25.227 1.00 25.00 C ATOM 1380 CD LYS A 96 1.975 -22.057 25.915 1.00 25.00 C ATOM 1381 CE LYS A 96 2.374 -21.379 27.228 1.00 25.00 C ATOM 1382 NZ LYS A 96 3.842 -21.603 27.343 1.00 25.00 N ATOM 0 H LYS A 96 -2.295 -22.976 26.589 1.00 25.00 H new ATOM 0 HA LYS A 96 -1.013 -20.277 26.574 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.324 -22.906 25.880 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -0.800 -22.250 24.326 1.00 25.00 H new ATOM 0 HG2 LYS A 96 1.144 -21.066 24.182 1.00 25.00 H new ATOM 0 HG3 LYS A 96 0.800 -20.255 25.697 1.00 25.00 H new ATOM 0 HD2 LYS A 96 1.616 -23.068 26.110 1.00 25.00 H new ATOM 0 HD3 LYS A 96 2.843 -22.147 25.262 1.00 25.00 H new ATOM 0 HE2 LYS A 96 2.137 -20.315 27.212 1.00 25.00 H new ATOM 0 HE3 LYS A 96 1.841 -21.812 28.074 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 4.192 -21.167 28.220 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 4.037 -22.624 27.363 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 4.324 -21.174 26.527 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.644 -20.835 24.935 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.586 -20.230 23.949 1.00 10.00 C ATOM 1398 C ASP A 97 -3.938 -20.175 22.565 1.00 10.00 C ATOM 1399 O ASP A 97 -4.299 -19.368 21.734 1.00 10.00 O ATOM 1400 CB ASP A 97 -4.847 -18.816 24.466 1.00 50.00 C ATOM 1401 CG ASP A 97 -6.090 -18.819 25.358 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -6.662 -19.881 25.540 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -6.449 -17.759 25.842 1.00 50.00 O ATOM 0 H ASP A 97 -4.045 -21.556 25.535 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.505 -20.808 23.851 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -3.984 -18.458 25.028 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -4.989 -18.132 23.629 1.00 50.00 H new ATOM 1408 N VAL A 98 -2.976 -21.017 22.313 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.307 -20.993 20.982 1.00 10.00 C ATOM 1410 C VAL A 98 -3.164 -21.697 19.928 1.00 10.00 C ATOM 1411 O VAL A 98 -4.033 -22.486 20.242 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.987 -21.736 21.186 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -1.275 -23.183 21.592 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.188 -21.721 19.882 1.00 50.00 C ATOM 0 H VAL A 98 -2.625 -21.717 22.966 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.153 -19.975 20.624 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.411 -21.246 21.971 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -0.334 -23.714 21.738 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -1.845 -23.194 22.521 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -1.851 -23.673 20.807 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.754 -22.251 20.026 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -0.764 -22.211 19.097 1.00 50.00 H new ATOM 0 HG23 VAL A 98 0.016 -20.690 19.592 1.00 50.00 H new ATOM 1424 N ARG A 99 -2.920 -21.413 18.679 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.710 -22.056 17.592 1.00 10.00 C ATOM 1426 C ARG A 99 -3.104 -21.710 16.231 1.00 10.00 C ATOM 1427 O ARG A 99 -2.409 -20.724 16.082 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.113 -21.463 17.720 1.00 50.00 C ATOM 1429 CG ARG A 99 -6.150 -22.584 17.635 1.00 50.00 C ATOM 1430 CD ARG A 99 -6.632 -22.939 19.043 1.00 50.00 C ATOM 1431 NE ARG A 99 -8.077 -23.261 18.882 1.00 50.00 N ATOM 1432 CZ ARG A 99 -8.818 -23.473 19.934 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -9.407 -24.626 20.095 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -8.969 -22.533 20.827 1.00 50.00 N ATOM 0 H ARG A 99 -2.203 -20.760 18.363 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.719 -23.143 17.671 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.211 -20.934 18.668 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.285 -20.733 16.929 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -6.992 -22.269 17.019 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.715 -23.461 17.156 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -6.081 -23.788 19.447 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -6.487 -22.107 19.732 1.00 50.00 H new ATOM 0 HE ARG A 99 -8.487 -23.316 17.950 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -9.288 -25.361 19.398 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -9.987 -24.792 20.918 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -8.507 -21.632 20.702 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -9.549 -22.699 21.650 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.360 -22.513 15.235 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.796 -22.228 13.884 1.00 10.00 C ATOM 1450 C LEU A 100 -3.832 -21.501 13.022 1.00 10.00 C ATOM 1451 O LEU A 100 -4.812 -22.076 12.593 1.00 10.00 O ATOM 1452 CB LEU A 100 -2.471 -23.601 13.296 1.00 10.00 C ATOM 1453 CG LEU A 100 -1.687 -24.418 14.326 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -1.360 -25.794 13.742 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -0.388 -23.689 14.674 1.00 10.00 C ATOM 0 H LEU A 100 -3.935 -23.353 15.297 1.00 10.00 H new ATOM 0 HA LEU A 100 -1.916 -21.586 13.928 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -3.390 -24.121 13.026 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -1.887 -23.489 12.382 1.00 10.00 H new ATOM 0 HG LEU A 100 -2.287 -24.539 15.228 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -0.802 -26.377 14.475 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -2.286 -26.313 13.494 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -0.759 -25.673 12.840 1.00 10.00 H new ATOM 0 HD21 LEU A 100 0.170 -24.271 15.407 1.00 10.00 H new ATOM 0 HD22 LEU A 100 0.214 -23.567 13.773 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.621 -22.709 15.090 1.00 10.00 H new ATOM 1467 N THR A 101 -3.623 -20.238 12.768 1.00 10.00 N ATOM 1468 CA THR A 101 -4.598 -19.473 11.938 1.00 10.00 C ATOM 1469 C THR A 101 -4.373 -19.755 10.449 1.00 10.00 C ATOM 1470 O THR A 101 -5.243 -19.535 9.630 1.00 10.00 O ATOM 1471 CB THR A 101 -4.318 -18.002 12.252 1.00 10.00 C ATOM 1472 OG1 THR A 101 -3.002 -17.670 11.833 1.00 10.00 O ATOM 1473 CG2 THR A 101 -4.452 -17.765 13.758 1.00 10.00 C ATOM 0 H THR A 101 -2.820 -19.703 13.099 1.00 10.00 H new ATOM 0 HA THR A 101 -5.629 -19.750 12.158 1.00 10.00 H new ATOM 0 HB THR A 101 -5.036 -17.375 11.723 1.00 10.00 H new ATOM 0 HG1 THR A 101 -2.823 -16.727 12.033 1.00 10.00 H new ATOM 0 HG21 THR A 101 -4.252 -16.717 13.981 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.463 -18.018 14.078 1.00 10.00 H new ATOM 0 HG23 THR A 101 -3.736 -18.392 14.290 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.214 -20.237 10.089 1.00 10.00 N ATOM 1482 CA CYS A 102 -2.945 -20.527 8.651 1.00 10.00 C ATOM 1483 C CYS A 102 -3.773 -21.727 8.186 1.00 10.00 C ATOM 1484 O CYS A 102 -4.138 -21.831 7.031 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.450 -20.843 8.577 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.125 -22.444 9.358 1.00 10.00 S ATOM 0 H CYS A 102 -2.444 -20.442 10.726 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.214 -19.689 8.007 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.124 -20.862 7.537 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -0.878 -20.061 9.077 1.00 10.00 H new ATOM 0 HG CYS A 102 -0.499 -22.259 10.482 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.072 -22.637 9.073 1.00 10.00 N ATOM 1492 CA ILE A 103 -4.875 -23.828 8.676 1.00 10.00 C ATOM 1493 C ILE A 103 -6.039 -24.034 9.649 1.00 10.00 C ATOM 1494 O ILE A 103 -6.546 -25.127 9.800 1.00 10.00 O ATOM 1495 CB ILE A 103 -3.903 -25.006 8.756 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.498 -25.232 10.214 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -2.657 -24.699 7.923 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -4.012 -26.597 10.679 1.00 50.00 C ATOM 0 H ILE A 103 -3.795 -22.607 10.054 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.307 -23.718 7.681 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.386 -25.903 8.368 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.413 -25.187 10.313 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -3.909 -24.443 10.844 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -1.965 -25.539 7.981 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -2.945 -24.536 6.884 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -2.173 -23.802 8.310 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -3.724 -26.760 11.718 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -5.098 -26.625 10.595 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -3.580 -27.380 10.056 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.463 -22.995 10.314 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.589 -23.143 11.278 1.00 10.00 C ATOM 1512 C GLY A 104 -8.709 -22.164 10.919 1.00 10.00 C ATOM 1513 O GLY A 104 -8.464 -21.034 10.545 1.00 10.00 O ATOM 0 H GLY A 104 -6.080 -22.053 10.232 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -7.966 -24.165 11.257 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.239 -22.953 12.293 1.00 10.00 H new ATOM 1517 N SER A 105 -9.937 -22.589 11.038 1.00 10.00 N ATOM 1518 CA SER A 105 -11.077 -21.686 10.711 1.00 10.00 C ATOM 1519 C SER A 105 -11.854 -21.344 11.984 1.00 10.00 C ATOM 1520 O SER A 105 -11.800 -22.070 12.957 1.00 10.00 O ATOM 1521 CB SER A 105 -11.951 -22.486 9.745 1.00 10.00 C ATOM 1522 OG SER A 105 -12.512 -23.600 10.424 1.00 10.00 O ATOM 0 H SER A 105 -10.201 -23.524 11.348 1.00 10.00 H new ATOM 0 HA SER A 105 -10.749 -20.743 10.274 1.00 10.00 H new ATOM 0 HB2 SER A 105 -12.744 -21.853 9.346 1.00 10.00 H new ATOM 0 HB3 SER A 105 -11.357 -22.825 8.897 1.00 10.00 H new ATOM 0 HG SER A 105 -13.073 -24.112 9.805 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.551 -20.242 11.937 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.346 -19.794 13.106 1.00 10.00 C ATOM 1530 C PRO A 106 -14.579 -20.683 13.288 1.00 10.00 C ATOM 1531 O PRO A 106 -15.190 -21.118 12.331 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.751 -18.370 12.742 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.713 -18.328 11.247 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.665 -19.318 10.803 1.00 10.00 C ATOM 0 HA PRO A 106 -12.793 -19.847 14.044 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.746 -18.134 13.118 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -13.065 -17.642 13.175 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.687 -18.584 10.829 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -13.469 -17.325 10.896 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.966 -19.837 9.893 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.715 -18.827 10.591 1.00 10.00 H new ATOM 1542 N ALA A 107 -14.947 -20.957 14.508 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.140 -21.817 14.753 1.00 10.00 C ATOM 1544 C ALA A 107 -17.222 -21.027 15.491 1.00 10.00 C ATOM 1545 O ALA A 107 -18.211 -20.619 14.914 1.00 10.00 O ATOM 1546 CB ALA A 107 -15.627 -22.965 15.623 1.00 50.00 C ATOM 0 H ALA A 107 -14.473 -20.623 15.347 1.00 10.00 H new ATOM 0 HA ALA A 107 -16.588 -22.175 13.826 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -16.448 -23.646 15.849 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -14.845 -23.505 15.089 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.222 -22.564 16.552 1.00 50.00 H new ATOM 1552 N ALA A 108 -17.040 -20.810 16.762 1.00 10.00 N ATOM 1553 CA ALA A 108 -18.055 -20.047 17.545 1.00 10.00 C ATOM 1554 C ALA A 108 -18.393 -18.731 16.841 1.00 10.00 C ATOM 1555 O ALA A 108 -17.754 -18.347 15.881 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.391 -19.777 18.896 1.00 50.00 C ATOM 0 H ALA A 108 -16.231 -21.128 17.296 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.990 -20.597 17.651 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -18.076 -19.217 19.533 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -17.142 -20.724 19.375 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.481 -19.197 18.745 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.393 -18.037 17.312 1.00 50.00 N ATOM 1563 CA ASP A 109 -19.772 -16.746 16.672 1.00 50.00 C ATOM 1564 C ASP A 109 -18.745 -15.665 17.013 1.00 50.00 C ATOM 1565 O ASP A 109 -18.026 -15.186 16.159 1.00 50.00 O ATOM 1566 CB ASP A 109 -21.137 -16.396 17.268 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.504 -14.960 16.889 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -21.705 -14.712 15.712 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -21.579 -14.134 17.782 1.00 50.00 O ATOM 0 H ASP A 109 -19.964 -18.309 18.113 1.00 50.00 H new ATOM 0 HA ASP A 109 -19.807 -16.818 15.585 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.895 -17.086 16.899 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -21.111 -16.502 18.352 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.669 -15.275 18.257 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.685 -14.225 18.651 1.00 10.00 C ATOM 1576 C GLU A 110 -16.435 -14.875 19.249 1.00 10.00 C ATOM 1577 O GLU A 110 -16.457 -15.397 20.346 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.407 -13.379 19.701 1.00 10.00 C ATOM 1579 CG GLU A 110 -18.858 -12.060 19.069 1.00 10.00 C ATOM 1580 CD GLU A 110 -19.673 -11.259 20.087 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -20.497 -11.857 20.759 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -19.460 -10.061 20.175 1.00 50.00 O ATOM 0 H GLU A 110 -19.245 -15.637 19.017 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.356 -13.625 17.803 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -19.268 -13.921 20.091 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.745 -13.183 20.544 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -17.991 -11.483 18.747 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -19.458 -12.257 18.180 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.342 -14.847 18.535 1.00 10.00 N ATOM 1590 CA VAL A 111 -14.090 -15.466 19.060 1.00 10.00 C ATOM 1591 C VAL A 111 -12.964 -14.429 19.105 1.00 10.00 C ATOM 1592 O VAL A 111 -12.850 -13.585 18.241 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.754 -16.577 18.065 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.602 -17.423 18.613 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.982 -17.463 17.853 1.00 12.50 C ATOM 0 H VAL A 111 -15.262 -14.422 17.611 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.211 -15.847 20.074 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.459 -16.134 17.114 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.363 -18.215 17.903 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.726 -16.792 18.762 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.896 -17.865 19.565 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.741 -18.255 17.143 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -15.280 -17.906 18.804 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.802 -16.861 17.461 1.00 12.50 H new ATOM 1605 N LYS A 112 -12.127 -14.487 20.105 1.00 10.00 N ATOM 1606 CA LYS A 112 -11.010 -13.506 20.196 1.00 10.00 C ATOM 1607 C LYS A 112 -9.664 -14.234 20.174 1.00 10.00 C ATOM 1608 O LYS A 112 -9.522 -15.317 20.707 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.211 -12.789 21.532 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.467 -11.918 21.460 1.00 25.00 C ATOM 1611 CD LYS A 112 -13.590 -12.571 22.269 1.00 25.00 C ATOM 1612 CE LYS A 112 -14.328 -11.500 23.075 1.00 25.00 C ATOM 1613 NZ LYS A 112 -15.345 -10.947 22.135 1.00 25.00 N ATOM 0 H LYS A 112 -12.169 -15.170 20.861 1.00 10.00 H new ATOM 0 HA LYS A 112 -11.008 -12.808 19.359 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -11.307 -13.518 22.337 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.341 -12.173 21.761 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.255 -10.923 21.851 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -12.777 -11.794 20.422 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -14.284 -13.081 21.601 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -13.178 -13.326 22.939 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -14.799 -11.926 23.961 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -13.645 -10.724 23.420 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -15.894 -10.205 22.614 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -14.867 -10.542 21.305 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -15.985 -11.708 21.829 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.675 -13.645 19.562 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.336 -14.297 19.502 1.00 10.00 C ATOM 1629 C ILE A 113 -6.256 -13.258 19.196 1.00 10.00 C ATOM 1630 O ILE A 113 -6.456 -12.351 18.411 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.439 -15.317 18.367 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.047 -15.874 18.055 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -8.008 -14.638 17.120 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.186 -17.225 17.350 1.00 10.00 C ATOM 0 H ILE A 113 -8.736 -12.738 19.099 1.00 10.00 H new ATOM 0 HA ILE A 113 -7.064 -14.768 20.447 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.098 -16.131 18.669 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.497 -15.176 17.423 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.475 -15.989 18.975 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -8.081 -15.365 16.311 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -8.999 -14.241 17.342 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -7.350 -13.823 16.817 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.196 -17.623 17.127 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -6.719 -17.921 17.998 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.742 -17.095 16.422 1.00 10.00 H new ATOM 1646 N VAL A 114 -5.111 -13.386 19.806 1.00 10.00 N ATOM 1647 CA VAL A 114 -4.016 -12.411 19.545 1.00 10.00 C ATOM 1648 C VAL A 114 -3.219 -12.856 18.312 1.00 10.00 C ATOM 1649 O VAL A 114 -2.894 -14.019 18.158 1.00 10.00 O ATOM 1650 CB VAL A 114 -3.168 -12.427 20.835 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.713 -12.821 20.544 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.192 -11.033 21.466 1.00 50.00 C ATOM 0 H VAL A 114 -4.886 -14.123 20.474 1.00 10.00 H new ATOM 0 HA VAL A 114 -4.368 -11.403 19.326 1.00 10.00 H new ATOM 0 HB VAL A 114 -3.593 -13.165 21.515 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -1.144 -12.822 21.473 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.687 -13.817 20.101 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -1.274 -12.104 19.850 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -2.595 -11.036 22.378 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -2.779 -10.309 20.764 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.220 -10.760 21.706 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.904 -11.945 17.431 1.00 10.00 N ATOM 1663 CA TYR A 115 -2.135 -12.327 16.214 1.00 10.00 C ATOM 1664 C TYR A 115 -0.637 -12.069 16.435 1.00 10.00 C ATOM 1665 O TYR A 115 -0.254 -11.191 17.183 1.00 10.00 O ATOM 1666 CB TYR A 115 -2.728 -11.460 15.082 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.795 -10.331 14.701 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -1.739 -9.172 15.483 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -0.991 -10.446 13.561 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -0.876 -8.128 15.127 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.128 -9.403 13.204 1.00 50.00 C ATOM 1672 CZ TYR A 115 -0.071 -8.245 13.987 1.00 50.00 C ATOM 1673 OH TYR A 115 0.781 -7.217 13.636 1.00 50.00 O ATOM 0 H TYR A 115 -3.145 -10.956 17.502 1.00 10.00 H new ATOM 0 HA TYR A 115 -2.215 -13.386 15.969 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -2.922 -12.083 14.209 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -3.686 -11.050 15.401 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -2.361 -9.083 16.361 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -1.036 -11.340 12.956 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -0.831 -7.234 15.731 1.00 50.00 H new ATOM 0 HE2 TYR A 115 0.493 -9.492 12.325 1.00 50.00 H new ATOM 0 HH TYR A 115 1.268 -7.460 12.821 1.00 50.00 H new ATOM 1683 N ASN A 116 0.207 -12.838 15.797 1.00 10.00 N ATOM 1684 CA ASN A 116 1.681 -12.654 15.970 1.00 10.00 C ATOM 1685 C ASN A 116 2.116 -13.156 17.350 1.00 10.00 C ATOM 1686 O ASN A 116 2.754 -12.447 18.103 1.00 10.00 O ATOM 1687 CB ASN A 116 1.931 -11.149 15.849 1.00 10.00 C ATOM 1688 CG ASN A 116 2.993 -10.890 14.778 1.00 10.00 C ATOM 1689 OD1 ASN A 116 3.375 -11.788 14.054 1.00 10.00 O ATOM 1690 ND2 ASN A 116 3.491 -9.690 14.647 1.00 10.00 N ATOM 0 H ASN A 116 -0.061 -13.589 15.161 1.00 10.00 H new ATOM 0 HA ASN A 116 2.248 -13.215 15.227 1.00 10.00 H new ATOM 0 HB2 ASN A 116 1.005 -10.636 15.589 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.260 -10.747 16.807 1.00 10.00 H new ATOM 0 HD21 ASN A 116 4.200 -9.507 13.937 1.00 10.00 H new ATOM 0 HD22 ASN A 116 3.171 -8.936 15.254 1.00 10.00 H new ATOM 1697 N ALA A 117 1.782 -14.373 17.689 1.00 10.00 N ATOM 1698 CA ALA A 117 2.188 -14.907 19.021 1.00 10.00 C ATOM 1699 C ALA A 117 3.674 -15.271 19.009 1.00 10.00 C ATOM 1700 O ALA A 117 4.320 -15.317 20.038 1.00 10.00 O ATOM 1701 CB ALA A 117 1.332 -16.155 19.235 1.00 50.00 C ATOM 0 H ALA A 117 1.249 -15.017 17.105 1.00 10.00 H new ATOM 0 HA ALA A 117 2.042 -14.178 19.818 1.00 10.00 H new ATOM 0 HB1 ALA A 117 1.576 -16.603 20.198 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.277 -15.880 19.220 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.531 -16.873 18.440 1.00 50.00 H new ATOM 1732 N HIS A 119 5.983 -13.738 18.871 1.00 50.00 N ATOM 1733 CA HIS A 119 6.716 -12.765 19.728 1.00 50.00 C ATOM 1734 C HIS A 119 6.923 -13.359 21.124 1.00 50.00 C ATOM 1735 O HIS A 119 7.876 -13.046 21.809 1.00 50.00 O ATOM 1736 CB HIS A 119 5.813 -11.531 19.795 1.00 50.00 C ATOM 1737 CG HIS A 119 5.933 -10.752 18.513 1.00 50.00 C ATOM 1738 ND1 HIS A 119 7.128 -10.178 18.108 1.00 50.00 N ATOM 1739 CD2 HIS A 119 5.018 -10.444 17.534 1.00 50.00 C ATOM 1740 CE1 HIS A 119 6.904 -9.560 16.933 1.00 50.00 C ATOM 1741 NE2 HIS A 119 5.635 -9.691 16.538 1.00 50.00 N ATOM 0 HA HIS A 119 7.702 -12.520 19.332 1.00 50.00 H new ATOM 0 HB2 HIS A 119 4.778 -11.833 19.954 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.096 -10.905 20.641 1.00 50.00 H new ATOM 0 HD1 HIS A 119 8.016 -10.217 18.609 1.00 50.00 H new ATOM 0 HD2 HIS A 119 3.980 -10.741 17.537 1.00 50.00 H new ATOM 0 HE1 HIS A 119 7.659 -9.023 16.377 1.00 50.00 H new ATOM 1749 N LEU A 120 6.037 -14.220 21.548 1.00 12.50 N ATOM 1750 CA LEU A 120 6.184 -14.839 22.896 1.00 12.50 C ATOM 1751 C LEU A 120 7.605 -15.384 23.072 1.00 12.50 C ATOM 1752 O LEU A 120 8.115 -16.098 22.231 1.00 12.50 O ATOM 1753 CB LEU A 120 5.163 -15.979 22.922 1.00 12.50 C ATOM 1754 CG LEU A 120 4.986 -16.474 24.360 1.00 12.50 C ATOM 1755 CD1 LEU A 120 4.533 -15.311 25.246 1.00 12.50 C ATOM 1756 CD2 LEU A 120 3.931 -17.582 24.394 1.00 12.50 C ATOM 0 H LEU A 120 5.218 -14.521 21.019 1.00 12.50 H new ATOM 0 HA LEU A 120 6.015 -14.124 23.702 1.00 12.50 H new ATOM 0 HB2 LEU A 120 4.208 -15.635 22.524 1.00 12.50 H new ATOM 0 HB3 LEU A 120 5.498 -16.796 22.284 1.00 12.50 H new ATOM 0 HG LEU A 120 5.934 -16.865 24.729 1.00 12.50 H new ATOM 0 HD11 LEU A 120 4.406 -15.662 26.270 1.00 12.50 H new ATOM 0 HD12 LEU A 120 5.285 -14.522 25.223 1.00 12.50 H new ATOM 0 HD13 LEU A 120 3.585 -14.920 24.877 1.00 12.50 H new ATOM 0 HD21 LEU A 120 3.806 -17.934 25.418 1.00 12.50 H new ATOM 0 HD22 LEU A 120 2.982 -17.192 24.025 1.00 12.50 H new ATOM 0 HD23 LEU A 120 4.253 -18.410 23.763 1.00 12.50 H new