USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 588 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 32 GLN : amide:sc= 1 K(o=2.2,f=0.49) USER MOD Set 1.2: A 34 TYR OH : rot 55:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0965 (180deg=-0.525) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0329 (180deg=-0.319) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 50:sc= 0.0535 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -108:sc= -1.12 (180deg=-3.41!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.74 K(o=-0.74,f=0) USER MOD Single : A 19 GLN : amide:sc= 0.87 K(o=0.87,f=-0.21) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 7:sc= 0.235 USER MOD Single : A 23 TYR OH : rot 25:sc= 1.18 USER MOD Single : A 38 MET CE :methyl 154:sc= -0.114 (180deg=-1.58) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.17) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -150:sc= -0.415 (180deg=-1.69!) USER MOD Single : A 60 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.24) USER MOD Single : A 66 TYR OH : rot 77:sc= -0.514 USER MOD Single : A 67 TYR OH : rot -171:sc= 0.221 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.632 9.017 -10.596 1.00 0.00 N ATOM 2 CA MET A 1 -13.553 8.569 -11.977 1.00 0.00 C ATOM 3 C MET A 1 -12.878 9.637 -12.822 1.00 0.00 C ATOM 4 O MET A 1 -13.538 10.477 -13.440 1.00 0.00 O ATOM 5 CB MET A 1 -14.943 8.248 -12.530 1.00 0.00 C ATOM 6 CG MET A 1 -15.662 7.145 -11.767 1.00 0.00 C ATOM 7 SD MET A 1 -17.324 6.830 -12.394 1.00 0.00 S ATOM 8 CE MET A 1 -16.965 6.290 -14.066 1.00 0.00 C ATOM 0 H1 MET A 1 -13.853 8.208 -9.981 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.720 9.429 -10.312 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.379 9.735 -10.506 1.00 0.00 H new ATOM 0 HA MET A 1 -12.961 7.655 -12.014 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.552 9.152 -12.506 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.850 7.954 -13.575 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.076 6.228 -11.826 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.722 7.418 -10.713 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.829 5.764 -14.472 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.743 7.157 -14.688 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.105 5.621 -14.055 1.00 0.00 H new ATOM 18 N SER A 2 -11.559 9.618 -12.825 1.00 0.00 N ATOM 19 CA SER A 2 -10.786 10.652 -13.481 1.00 0.00 C ATOM 20 C SER A 2 -9.413 10.135 -13.881 1.00 0.00 C ATOM 21 O SER A 2 -8.982 9.067 -13.440 1.00 0.00 O ATOM 22 CB SER A 2 -10.656 11.861 -12.548 1.00 0.00 C ATOM 23 OG SER A 2 -10.318 11.449 -11.232 1.00 0.00 O ATOM 0 H SER A 2 -10.999 8.893 -12.377 1.00 0.00 H new ATOM 0 HA SER A 2 -11.303 10.954 -14.391 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.892 12.539 -12.929 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.595 12.415 -12.531 1.00 0.00 H new ATOM 0 HG SER A 2 -10.238 12.236 -10.653 1.00 0.00 H new ATOM 29 N THR A 3 -8.741 10.892 -14.728 1.00 0.00 N ATOM 30 CA THR A 3 -7.402 10.554 -15.162 1.00 0.00 C ATOM 31 C THR A 3 -6.379 10.808 -14.054 1.00 0.00 C ATOM 32 O THR A 3 -5.995 11.947 -13.795 1.00 0.00 O ATOM 33 CB THR A 3 -7.036 11.352 -16.424 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.504 12.707 -16.296 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.649 10.703 -17.655 1.00 0.00 C ATOM 0 H THR A 3 -9.107 11.754 -15.132 1.00 0.00 H new ATOM 0 HA THR A 3 -7.381 9.490 -15.398 1.00 0.00 H new ATOM 0 HB THR A 3 -5.952 11.357 -16.537 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.213 13.074 -15.435 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.382 11.279 -18.541 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.272 9.685 -17.756 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.734 10.679 -17.552 1.00 0.00 H new ATOM 43 N TYR A 4 -5.951 9.738 -13.398 1.00 0.00 N ATOM 44 CA TYR A 4 -5.021 9.850 -12.276 1.00 0.00 C ATOM 45 C TYR A 4 -3.571 9.942 -12.738 1.00 0.00 C ATOM 46 O TYR A 4 -2.655 10.015 -11.920 1.00 0.00 O ATOM 47 CB TYR A 4 -5.190 8.674 -11.317 1.00 0.00 C ATOM 48 CG TYR A 4 -5.965 9.029 -10.070 1.00 0.00 C ATOM 49 CD1 TYR A 4 -5.321 9.593 -8.977 1.00 0.00 C ATOM 50 CD2 TYR A 4 -7.335 8.811 -9.983 1.00 0.00 C ATOM 51 CE1 TYR A 4 -6.016 9.928 -7.833 1.00 0.00 C ATOM 52 CE2 TYR A 4 -8.037 9.146 -8.841 1.00 0.00 C ATOM 53 CZ TYR A 4 -7.372 9.703 -7.771 1.00 0.00 C ATOM 54 OH TYR A 4 -8.066 10.037 -6.630 1.00 0.00 O ATOM 0 H TYR A 4 -6.231 8.783 -13.621 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.261 10.777 -11.755 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.700 7.862 -11.835 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.206 8.302 -11.032 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -4.257 9.773 -9.023 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.858 8.373 -10.820 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -5.499 10.364 -6.991 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.102 8.972 -8.788 1.00 0.00 H new ATOM 0 HH TYR A 4 -9.014 9.816 -6.747 1.00 0.00 H new ATOM 64 N ASP A 5 -3.368 9.938 -14.042 1.00 0.00 N ATOM 65 CA ASP A 5 -2.041 10.107 -14.607 1.00 0.00 C ATOM 66 C ASP A 5 -2.161 10.871 -15.915 1.00 0.00 C ATOM 67 O ASP A 5 -3.256 10.972 -16.477 1.00 0.00 O ATOM 68 CB ASP A 5 -1.363 8.750 -14.841 1.00 0.00 C ATOM 69 CG ASP A 5 0.155 8.832 -14.769 1.00 0.00 C ATOM 70 OD1 ASP A 5 0.749 9.675 -15.468 1.00 0.00 O ATOM 71 OD2 ASP A 5 0.763 8.045 -14.010 1.00 0.00 O ATOM 0 H ASP A 5 -4.108 9.819 -14.733 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.422 10.666 -13.906 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.720 8.037 -14.098 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.656 8.366 -15.818 1.00 0.00 H new ATOM 76 N GLU A 6 -1.047 11.392 -16.391 1.00 0.00 N ATOM 77 CA GLU A 6 -1.009 12.202 -17.594 1.00 0.00 C ATOM 78 C GLU A 6 0.394 12.162 -18.174 1.00 0.00 C ATOM 79 O GLU A 6 1.326 12.735 -17.605 1.00 0.00 O ATOM 80 CB GLU A 6 -1.417 13.644 -17.274 1.00 0.00 C ATOM 81 CG GLU A 6 -1.496 14.549 -18.491 1.00 0.00 C ATOM 82 CD GLU A 6 -2.012 15.932 -18.151 1.00 0.00 C ATOM 83 OE1 GLU A 6 -3.191 16.053 -17.756 1.00 0.00 O ATOM 84 OE2 GLU A 6 -1.239 16.905 -18.262 1.00 0.00 O ATOM 0 H GLU A 6 -0.136 11.264 -15.951 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.713 11.805 -18.325 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.387 13.634 -16.778 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.702 14.065 -16.567 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.507 14.634 -18.942 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.148 14.094 -19.237 1.00 0.00 H new ATOM 91 N ILE A 7 0.555 11.480 -19.297 1.00 0.00 N ATOM 92 CA ILE A 7 1.888 11.271 -19.856 1.00 0.00 C ATOM 93 C ILE A 7 2.005 11.953 -21.205 1.00 0.00 C ATOM 94 O ILE A 7 1.031 12.025 -21.952 1.00 0.00 O ATOM 95 CB ILE A 7 2.235 9.771 -20.039 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.821 8.949 -18.825 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.723 9.591 -20.296 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.499 8.249 -19.015 1.00 0.00 C ATOM 0 H ILE A 7 -0.206 11.066 -19.835 1.00 0.00 H new ATOM 0 HA ILE A 7 2.589 11.700 -19.140 1.00 0.00 H new ATOM 0 HB ILE A 7 1.676 9.412 -20.903 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.592 8.208 -18.614 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.759 9.602 -17.954 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.945 8.531 -20.421 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.004 10.130 -21.201 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.288 9.982 -19.450 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.257 7.679 -18.118 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.281 8.988 -19.197 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.565 7.573 -19.867 1.00 0.00 H new ATOM 110 N GLU A 8 3.186 12.468 -21.506 1.00 0.00 N ATOM 111 CA GLU A 8 3.455 13.020 -22.818 1.00 0.00 C ATOM 112 C GLU A 8 3.349 11.920 -23.870 1.00 0.00 C ATOM 113 O GLU A 8 3.813 10.795 -23.653 1.00 0.00 O ATOM 114 CB GLU A 8 4.842 13.663 -22.866 1.00 0.00 C ATOM 115 CG GLU A 8 5.051 14.759 -21.832 1.00 0.00 C ATOM 116 CD GLU A 8 6.303 15.574 -22.091 1.00 0.00 C ATOM 117 OE1 GLU A 8 7.393 14.978 -22.240 1.00 0.00 O ATOM 118 OE2 GLU A 8 6.203 16.819 -22.154 1.00 0.00 O ATOM 0 H GLU A 8 3.972 12.514 -20.858 1.00 0.00 H new ATOM 0 HA GLU A 8 2.716 13.793 -23.028 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.595 12.889 -22.718 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.004 14.080 -23.860 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.185 15.421 -21.830 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.112 14.311 -20.840 1.00 0.00 H new ATOM 125 N ILE A 9 2.733 12.253 -24.999 1.00 0.00 N ATOM 126 CA ILE A 9 2.542 11.316 -26.105 1.00 0.00 C ATOM 127 C ILE A 9 3.859 10.638 -26.509 1.00 0.00 C ATOM 128 O ILE A 9 3.872 9.493 -26.959 1.00 0.00 O ATOM 129 CB ILE A 9 1.917 12.047 -27.322 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.671 11.078 -28.479 1.00 0.00 C ATOM 131 CG2 ILE A 9 2.802 13.204 -27.769 1.00 0.00 C ATOM 132 CD1 ILE A 9 0.973 11.714 -29.663 1.00 0.00 C ATOM 0 H ILE A 9 2.350 13.182 -25.175 1.00 0.00 H new ATOM 0 HA ILE A 9 1.861 10.536 -25.766 1.00 0.00 H new ATOM 0 HB ILE A 9 0.954 12.452 -27.011 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.626 10.668 -28.808 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.071 10.241 -28.120 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.345 13.703 -28.624 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.912 13.915 -26.950 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.783 12.823 -28.053 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.831 10.968 -30.445 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.003 12.100 -29.349 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.582 12.532 -30.048 1.00 0.00 H new ATOM 144 N GLU A 10 4.956 11.354 -26.303 1.00 0.00 N ATOM 145 CA GLU A 10 6.291 10.875 -26.636 1.00 0.00 C ATOM 146 C GLU A 10 6.653 9.591 -25.877 1.00 0.00 C ATOM 147 O GLU A 10 7.361 8.732 -26.404 1.00 0.00 O ATOM 148 CB GLU A 10 7.305 11.966 -26.299 1.00 0.00 C ATOM 149 CG GLU A 10 8.733 11.628 -26.685 1.00 0.00 C ATOM 150 CD GLU A 10 9.732 12.590 -26.084 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.393 13.783 -25.925 1.00 0.00 O ATOM 152 OE2 GLU A 10 10.853 12.159 -25.752 1.00 0.00 O ATOM 0 H GLU A 10 4.945 12.290 -25.897 1.00 0.00 H new ATOM 0 HA GLU A 10 6.310 10.642 -27.701 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.012 12.887 -26.803 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.267 12.163 -25.228 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.965 10.615 -26.358 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.827 11.642 -27.771 1.00 0.00 H new ATOM 159 N ASP A 11 6.174 9.459 -24.644 1.00 0.00 N ATOM 160 CA ASP A 11 6.599 8.353 -23.787 1.00 0.00 C ATOM 161 C ASP A 11 5.837 7.072 -24.108 1.00 0.00 C ATOM 162 O ASP A 11 6.355 5.966 -23.921 1.00 0.00 O ATOM 163 CB ASP A 11 6.427 8.715 -22.313 1.00 0.00 C ATOM 164 CG ASP A 11 7.111 7.720 -21.394 1.00 0.00 C ATOM 165 OD1 ASP A 11 8.350 7.592 -21.476 1.00 0.00 O ATOM 166 OD2 ASP A 11 6.420 7.058 -20.585 1.00 0.00 O ATOM 0 H ASP A 11 5.499 10.095 -24.218 1.00 0.00 H new ATOM 0 HA ASP A 11 7.656 8.174 -23.984 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.834 9.710 -22.135 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.365 8.758 -22.073 1.00 0.00 H new ATOM 171 N MET A 12 4.612 7.219 -24.592 1.00 0.00 N ATOM 172 CA MET A 12 3.811 6.070 -25.002 1.00 0.00 C ATOM 173 C MET A 12 4.428 5.379 -26.217 1.00 0.00 C ATOM 174 O MET A 12 5.187 5.983 -26.976 1.00 0.00 O ATOM 175 CB MET A 12 2.375 6.490 -25.324 1.00 0.00 C ATOM 176 CG MET A 12 1.604 7.015 -24.126 1.00 0.00 C ATOM 177 SD MET A 12 -0.115 7.384 -24.520 1.00 0.00 S ATOM 178 CE MET A 12 -0.714 5.770 -25.009 1.00 0.00 C ATOM 0 H MET A 12 4.150 8.120 -24.711 1.00 0.00 H new ATOM 0 HA MET A 12 3.794 5.369 -24.168 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.396 7.260 -26.096 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.842 5.636 -25.741 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.639 6.278 -23.324 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.089 7.917 -23.752 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.871 5.752 -26.087 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.020 5.012 -24.736 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.656 5.562 -24.501 1.00 0.00 H new ATOM 188 N THR A 13 4.111 4.106 -26.391 1.00 0.00 N ATOM 189 CA THR A 13 4.634 3.338 -27.504 1.00 0.00 C ATOM 190 C THR A 13 3.659 3.379 -28.677 1.00 0.00 C ATOM 191 O THR A 13 2.561 2.813 -28.621 1.00 0.00 O ATOM 192 CB THR A 13 4.899 1.881 -27.085 1.00 0.00 C ATOM 193 OG1 THR A 13 5.705 1.859 -25.894 1.00 0.00 O ATOM 194 CG2 THR A 13 5.603 1.113 -28.193 1.00 0.00 C ATOM 0 H THR A 13 3.492 3.583 -25.772 1.00 0.00 H new ATOM 0 HA THR A 13 5.579 3.784 -27.814 1.00 0.00 H new ATOM 0 HB THR A 13 3.940 1.401 -26.890 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.871 0.930 -25.628 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.778 0.087 -27.870 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.979 1.111 -29.087 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.557 1.590 -28.417 1.00 0.00 H new ATOM 202 N PHE A 14 4.059 4.069 -29.728 1.00 0.00 N ATOM 203 CA PHE A 14 3.218 4.242 -30.900 1.00 0.00 C ATOM 204 C PHE A 14 3.166 2.964 -31.724 1.00 0.00 C ATOM 205 O PHE A 14 4.169 2.272 -31.875 1.00 0.00 O ATOM 206 CB PHE A 14 3.734 5.402 -31.764 1.00 0.00 C ATOM 207 CG PHE A 14 5.166 5.258 -32.212 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.208 5.632 -31.379 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.466 4.757 -33.469 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.522 5.506 -31.789 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.777 4.630 -33.885 1.00 0.00 C ATOM 212 CZ PHE A 14 7.807 5.005 -33.042 1.00 0.00 C ATOM 0 H PHE A 14 4.970 4.523 -29.795 1.00 0.00 H new ATOM 0 HA PHE A 14 2.209 4.475 -30.559 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.098 5.493 -32.645 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.634 6.330 -31.201 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.991 6.027 -30.397 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.665 4.462 -34.131 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.325 5.800 -31.129 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.997 4.238 -34.867 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.833 4.906 -33.364 1.00 0.00 H new ATOM 222 N GLU A 15 1.987 2.648 -32.239 1.00 0.00 N ATOM 223 CA GLU A 15 1.838 1.537 -33.159 1.00 0.00 C ATOM 224 C GLU A 15 1.201 2.018 -34.455 1.00 0.00 C ATOM 225 O GLU A 15 -0.023 2.016 -34.605 1.00 0.00 O ATOM 226 CB GLU A 15 1.028 0.399 -32.536 1.00 0.00 C ATOM 227 CG GLU A 15 0.997 -0.848 -33.404 1.00 0.00 C ATOM 228 CD GLU A 15 0.395 -2.050 -32.704 1.00 0.00 C ATOM 229 OE1 GLU A 15 -0.478 -1.859 -31.833 1.00 0.00 O ATOM 230 OE2 GLU A 15 0.794 -3.192 -33.025 1.00 0.00 O ATOM 0 H GLU A 15 1.121 3.147 -32.034 1.00 0.00 H new ATOM 0 HA GLU A 15 2.829 1.141 -33.382 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.451 0.148 -31.563 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.007 0.739 -32.361 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.426 -0.639 -34.308 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.013 -1.090 -33.717 1.00 0.00 H new ATOM 237 N PRO A 16 2.047 2.452 -35.405 1.00 0.00 N ATOM 238 CA PRO A 16 1.603 3.069 -36.661 1.00 0.00 C ATOM 239 C PRO A 16 0.772 2.127 -37.517 1.00 0.00 C ATOM 240 O PRO A 16 -0.070 2.566 -38.297 1.00 0.00 O ATOM 241 CB PRO A 16 2.910 3.426 -37.379 1.00 0.00 C ATOM 242 CG PRO A 16 3.949 2.564 -36.752 1.00 0.00 C ATOM 243 CD PRO A 16 3.516 2.365 -35.328 1.00 0.00 C ATOM 0 HA PRO A 16 0.957 3.927 -36.474 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.835 3.237 -38.450 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.150 4.482 -37.258 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.030 1.610 -37.272 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.930 3.037 -36.799 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.842 1.400 -34.940 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.930 3.130 -34.671 1.00 0.00 H new ATOM 251 N GLU A 17 0.995 0.830 -37.347 1.00 0.00 N ATOM 252 CA GLU A 17 0.298 -0.180 -38.132 1.00 0.00 C ATOM 253 C GLU A 17 -1.181 -0.253 -37.763 1.00 0.00 C ATOM 254 O GLU A 17 -1.999 -0.725 -38.548 1.00 0.00 O ATOM 255 CB GLU A 17 0.961 -1.545 -37.948 1.00 0.00 C ATOM 256 CG GLU A 17 2.417 -1.569 -38.389 1.00 0.00 C ATOM 257 CD GLU A 17 3.016 -2.960 -38.365 1.00 0.00 C ATOM 258 OE1 GLU A 17 2.902 -3.673 -39.383 1.00 0.00 O ATOM 259 OE2 GLU A 17 3.609 -3.341 -37.337 1.00 0.00 O ATOM 0 H GLU A 17 1.656 0.452 -36.669 1.00 0.00 H new ATOM 0 HA GLU A 17 0.364 0.108 -39.181 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.901 -1.832 -36.898 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.404 -2.291 -38.515 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.493 -1.163 -39.398 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.999 -0.917 -37.739 1.00 0.00 H new ATOM 266 N ASN A 18 -1.524 0.225 -36.572 1.00 0.00 N ATOM 267 CA ASN A 18 -2.920 0.256 -36.146 1.00 0.00 C ATOM 268 C ASN A 18 -3.389 1.688 -35.946 1.00 0.00 C ATOM 269 O ASN A 18 -4.491 1.928 -35.453 1.00 0.00 O ATOM 270 CB ASN A 18 -3.125 -0.557 -34.866 1.00 0.00 C ATOM 271 CG ASN A 18 -3.054 -2.053 -35.110 1.00 0.00 C ATOM 272 OD1 ASN A 18 -4.052 -2.684 -35.460 1.00 0.00 O ATOM 273 ND2 ASN A 18 -1.882 -2.635 -34.911 1.00 0.00 N ATOM 0 H ASN A 18 -0.862 0.593 -35.889 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.519 -0.198 -36.935 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.367 -0.275 -34.135 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.094 -0.308 -34.433 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.782 -3.641 -35.047 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.078 -2.078 -34.621 1.00 0.00 H new ATOM 280 N GLN A 19 -2.535 2.633 -36.342 1.00 0.00 N ATOM 281 CA GLN A 19 -2.849 4.063 -36.294 1.00 0.00 C ATOM 282 C GLN A 19 -3.215 4.516 -34.879 1.00 0.00 C ATOM 283 O GLN A 19 -4.157 5.293 -34.697 1.00 0.00 O ATOM 284 CB GLN A 19 -4.005 4.413 -37.249 1.00 0.00 C ATOM 285 CG GLN A 19 -3.703 4.258 -38.739 1.00 0.00 C ATOM 286 CD GLN A 19 -3.745 2.818 -39.219 1.00 0.00 C ATOM 287 OE1 GLN A 19 -4.807 2.295 -39.545 1.00 0.00 O ATOM 288 NE2 GLN A 19 -2.590 2.181 -39.312 1.00 0.00 N ATOM 0 H GLN A 19 -1.604 2.429 -36.706 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.948 4.589 -36.610 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.859 3.782 -37.003 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.306 5.444 -37.063 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.423 4.844 -39.310 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.717 4.673 -38.947 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.727 2.647 -39.032 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.562 1.224 -39.664 1.00 0.00 H new ATOM 297 N MET A 20 -2.470 4.059 -33.877 1.00 0.00 N ATOM 298 CA MET A 20 -2.777 4.427 -32.501 1.00 0.00 C ATOM 299 C MET A 20 -1.536 4.366 -31.619 1.00 0.00 C ATOM 300 O MET A 20 -0.473 3.911 -32.049 1.00 0.00 O ATOM 301 CB MET A 20 -3.874 3.520 -31.935 1.00 0.00 C ATOM 302 CG MET A 20 -3.468 2.062 -31.800 1.00 0.00 C ATOM 303 SD MET A 20 -4.815 1.024 -31.198 1.00 0.00 S ATOM 304 CE MET A 20 -3.988 -0.560 -31.069 1.00 0.00 C ATOM 0 H MET A 20 -1.664 3.444 -33.989 1.00 0.00 H new ATOM 0 HA MET A 20 -3.136 5.456 -32.506 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.171 3.895 -30.956 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.751 3.583 -32.580 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.132 1.690 -32.768 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.621 1.985 -31.118 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.692 -1.310 -30.708 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.614 -0.856 -32.049 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.154 -0.479 -30.371 1.00 0.00 H new ATOM 314 N PHE A 21 -1.682 4.847 -30.394 1.00 0.00 N ATOM 315 CA PHE A 21 -0.615 4.794 -29.407 1.00 0.00 C ATOM 316 C PHE A 21 -1.012 3.852 -28.285 1.00 0.00 C ATOM 317 O PHE A 21 -2.176 3.805 -27.887 1.00 0.00 O ATOM 318 CB PHE A 21 -0.325 6.183 -28.831 1.00 0.00 C ATOM 319 CG PHE A 21 0.358 7.113 -29.789 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.354 7.747 -30.792 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.715 7.361 -29.676 1.00 0.00 C ATOM 322 CE1 PHE A 21 0.276 8.611 -31.665 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.352 8.222 -30.548 1.00 0.00 C ATOM 324 CZ PHE A 21 1.631 8.849 -31.543 1.00 0.00 C ATOM 0 H PHE A 21 -2.540 5.283 -30.057 1.00 0.00 H new ATOM 0 HA PHE A 21 0.289 4.432 -29.897 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.264 6.635 -28.510 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.296 6.073 -27.942 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.414 7.564 -30.893 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.283 6.875 -28.896 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.291 9.101 -32.443 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.412 8.404 -30.451 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.125 9.525 -32.225 1.00 0.00 H new ATOM 334 N THR A 22 -0.052 3.099 -27.783 1.00 0.00 N ATOM 335 CA THR A 22 -0.313 2.164 -26.706 1.00 0.00 C ATOM 336 C THR A 22 0.745 2.273 -25.617 1.00 0.00 C ATOM 337 O THR A 22 1.937 2.366 -25.900 1.00 0.00 O ATOM 338 CB THR A 22 -0.371 0.715 -27.223 1.00 0.00 C ATOM 339 OG1 THR A 22 0.741 0.452 -28.090 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.675 0.450 -27.964 1.00 0.00 C ATOM 0 H THR A 22 0.916 3.117 -28.104 1.00 0.00 H new ATOM 0 HA THR A 22 -1.284 2.425 -26.285 1.00 0.00 H new ATOM 0 HB THR A 22 -0.322 0.049 -26.362 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.354 1.217 -28.077 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.689 -0.581 -28.318 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.516 0.614 -27.290 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.754 1.127 -28.815 1.00 0.00 H new ATOM 348 N TYR A 23 0.307 2.284 -24.371 1.00 0.00 N ATOM 349 CA TYR A 23 1.226 2.319 -23.250 1.00 0.00 C ATOM 350 C TYR A 23 1.253 0.948 -22.588 1.00 0.00 C ATOM 351 O TYR A 23 0.230 0.474 -22.100 1.00 0.00 O ATOM 352 CB TYR A 23 0.816 3.402 -22.249 1.00 0.00 C ATOM 353 CG TYR A 23 1.954 3.877 -21.374 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.104 4.410 -21.943 1.00 0.00 C ATOM 355 CD2 TYR A 23 1.888 3.796 -19.987 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.150 4.849 -21.160 1.00 0.00 C ATOM 357 CE2 TYR A 23 2.933 4.237 -19.197 1.00 0.00 C ATOM 358 CZ TYR A 23 4.062 4.762 -19.790 1.00 0.00 C ATOM 359 OH TYR A 23 5.107 5.198 -19.009 1.00 0.00 O ATOM 0 H TYR A 23 -0.679 2.269 -24.111 1.00 0.00 H new ATOM 0 HA TYR A 23 2.226 2.565 -23.607 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.407 4.253 -22.794 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.018 3.016 -21.615 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.180 4.482 -23.018 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.007 3.382 -19.520 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.036 5.260 -21.621 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.866 4.171 -18.121 1.00 0.00 H new ATOM 0 HH TYR A 23 5.627 5.866 -19.502 1.00 0.00 H new ATOM 369 N PRO A 24 2.421 0.291 -22.595 1.00 0.00 N ATOM 370 CA PRO A 24 2.565 -1.091 -22.119 1.00 0.00 C ATOM 371 C PRO A 24 2.097 -1.297 -20.679 1.00 0.00 C ATOM 372 O PRO A 24 2.690 -0.773 -19.734 1.00 0.00 O ATOM 373 CB PRO A 24 4.070 -1.367 -22.238 1.00 0.00 C ATOM 374 CG PRO A 24 4.712 -0.029 -22.389 1.00 0.00 C ATOM 375 CD PRO A 24 3.699 0.840 -23.072 1.00 0.00 C ATOM 0 HA PRO A 24 1.942 -1.768 -22.704 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.445 -1.884 -21.355 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.285 -2.004 -23.096 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.989 0.383 -21.418 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.627 -0.099 -22.978 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.816 1.889 -22.798 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.783 0.783 -24.157 1.00 0.00 H new ATOM 383 N CYS A 25 1.026 -2.064 -20.539 1.00 0.00 N ATOM 384 CA CYS A 25 0.490 -2.440 -19.243 1.00 0.00 C ATOM 385 C CYS A 25 0.347 -3.951 -19.168 1.00 0.00 C ATOM 386 O CYS A 25 -0.135 -4.582 -20.112 1.00 0.00 O ATOM 387 CB CYS A 25 -0.868 -1.767 -19.024 1.00 0.00 C ATOM 388 SG CYS A 25 -1.813 -2.385 -17.591 1.00 0.00 S ATOM 0 H CYS A 25 0.502 -2.444 -21.327 1.00 0.00 H new ATOM 0 HA CYS A 25 1.173 -2.109 -18.461 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.710 -0.696 -18.901 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.471 -1.899 -19.922 1.00 0.00 H new ATOM 393 N PRO A 26 0.817 -4.569 -18.083 1.00 0.00 N ATOM 394 CA PRO A 26 0.621 -5.983 -17.868 1.00 0.00 C ATOM 395 C PRO A 26 -0.713 -6.267 -17.190 1.00 0.00 C ATOM 396 O PRO A 26 -0.941 -5.865 -16.047 1.00 0.00 O ATOM 397 CB PRO A 26 1.787 -6.371 -16.946 1.00 0.00 C ATOM 398 CG PRO A 26 2.497 -5.095 -16.594 1.00 0.00 C ATOM 399 CD PRO A 26 1.596 -3.965 -17.006 1.00 0.00 C ATOM 0 HA PRO A 26 0.601 -6.546 -18.801 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.422 -6.872 -16.049 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.462 -7.065 -17.446 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.706 -5.052 -15.525 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.456 -5.032 -17.109 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.963 -3.629 -16.185 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.161 -3.098 -17.349 1.00 0.00 H new ATOM 407 N CYS A 27 -1.563 -7.006 -17.889 1.00 0.00 N ATOM 408 CA CYS A 27 -2.884 -7.364 -17.392 1.00 0.00 C ATOM 409 C CYS A 27 -3.560 -8.272 -18.412 1.00 0.00 C ATOM 410 O CYS A 27 -4.118 -9.319 -18.080 1.00 0.00 O ATOM 411 CB CYS A 27 -3.743 -6.107 -17.152 1.00 0.00 C ATOM 412 SG CYS A 27 -4.171 -5.182 -18.665 1.00 0.00 S ATOM 0 H CYS A 27 -1.356 -7.374 -18.817 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.780 -7.883 -16.439 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.664 -6.402 -16.649 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.209 -5.442 -16.474 1.00 0.00 H new ATOM 417 N GLY A 28 -3.480 -7.854 -19.664 1.00 0.00 N ATOM 418 CA GLY A 28 -4.045 -8.600 -20.765 1.00 0.00 C ATOM 419 C GLY A 28 -4.034 -7.767 -22.025 1.00 0.00 C ATOM 420 O GLY A 28 -3.965 -8.292 -23.137 1.00 0.00 O ATOM 0 H GLY A 28 -3.020 -6.987 -19.941 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.476 -9.516 -20.922 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.066 -8.896 -20.526 1.00 0.00 H new ATOM 424 N ASP A 29 -4.085 -6.457 -21.835 1.00 0.00 N ATOM 425 CA ASP A 29 -4.031 -5.497 -22.927 1.00 0.00 C ATOM 426 C ASP A 29 -3.204 -4.295 -22.474 1.00 0.00 C ATOM 427 O ASP A 29 -2.749 -4.261 -21.332 1.00 0.00 O ATOM 428 CB ASP A 29 -5.440 -5.069 -23.346 1.00 0.00 C ATOM 429 CG ASP A 29 -5.517 -4.667 -24.808 1.00 0.00 C ATOM 430 OD1 ASP A 29 -5.015 -3.585 -25.171 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.082 -5.445 -25.613 1.00 0.00 O ATOM 0 H ASP A 29 -4.165 -6.028 -20.913 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.562 -5.955 -23.798 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.135 -5.888 -23.161 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.761 -4.232 -22.725 1.00 0.00 H new ATOM 436 N ARG A 30 -2.954 -3.351 -23.366 1.00 0.00 N ATOM 437 CA ARG A 30 -2.151 -2.181 -23.025 1.00 0.00 C ATOM 438 C ARG A 30 -2.933 -0.895 -23.292 1.00 0.00 C ATOM 439 O ARG A 30 -3.758 -0.854 -24.209 1.00 0.00 O ATOM 440 CB ARG A 30 -0.836 -2.201 -23.808 1.00 0.00 C ATOM 441 CG ARG A 30 -1.004 -2.306 -25.315 1.00 0.00 C ATOM 442 CD ARG A 30 0.335 -2.549 -25.991 1.00 0.00 C ATOM 443 NE ARG A 30 0.227 -2.619 -27.450 1.00 0.00 N ATOM 444 CZ ARG A 30 0.987 -3.402 -28.220 1.00 0.00 C ATOM 445 NH1 ARG A 30 1.853 -4.240 -27.668 1.00 0.00 N ATOM 446 NH2 ARG A 30 0.868 -3.360 -29.542 1.00 0.00 N ATOM 0 H ARG A 30 -3.292 -3.368 -24.328 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.917 -2.212 -21.961 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.277 -1.293 -23.579 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.234 -3.041 -23.462 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.690 -3.119 -25.553 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.450 -1.389 -25.701 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.025 -1.750 -25.720 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.763 -3.479 -25.617 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.472 -2.033 -27.906 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.940 -4.288 -26.653 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.432 -4.837 -28.258 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.194 -2.728 -29.974 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.451 -3.960 -30.126 1.00 0.00 H new ATOM 460 N PHE A 31 -2.675 0.140 -22.479 1.00 0.00 N ATOM 461 CA PHE A 31 -3.359 1.433 -22.600 1.00 0.00 C ATOM 462 C PHE A 31 -3.400 1.901 -24.047 1.00 0.00 C ATOM 463 O PHE A 31 -2.375 2.249 -24.625 1.00 0.00 O ATOM 464 CB PHE A 31 -2.661 2.504 -21.753 1.00 0.00 C ATOM 465 CG PHE A 31 -2.752 2.285 -20.272 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.876 2.685 -19.569 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.707 1.692 -19.580 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.959 2.498 -18.205 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.783 1.506 -18.212 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.910 1.909 -17.524 1.00 0.00 C ATOM 0 H PHE A 31 -1.990 0.104 -21.724 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.378 1.290 -22.240 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.609 2.545 -22.037 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.094 3.476 -21.991 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.697 3.149 -20.095 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.825 1.372 -20.115 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.843 2.811 -17.669 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.962 1.046 -17.682 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.972 1.764 -16.456 1.00 0.00 H new ATOM 480 N GLN A 32 -4.585 1.915 -24.622 1.00 0.00 N ATOM 481 CA GLN A 32 -4.744 2.258 -26.019 1.00 0.00 C ATOM 482 C GLN A 32 -5.460 3.592 -26.177 1.00 0.00 C ATOM 483 O GLN A 32 -6.447 3.870 -25.492 1.00 0.00 O ATOM 484 CB GLN A 32 -5.499 1.148 -26.751 1.00 0.00 C ATOM 485 CG GLN A 32 -6.842 0.802 -26.136 1.00 0.00 C ATOM 486 CD GLN A 32 -7.527 -0.340 -26.855 1.00 0.00 C ATOM 487 OE1 GLN A 32 -8.317 -0.126 -27.776 1.00 0.00 O ATOM 488 NE2 GLN A 32 -7.211 -1.558 -26.457 1.00 0.00 N ATOM 0 H GLN A 32 -5.456 1.692 -24.140 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.754 2.358 -26.463 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.653 1.450 -27.787 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.878 0.252 -26.769 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.701 0.536 -25.088 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.486 1.681 -26.158 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.552 -1.689 -25.690 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.626 -2.368 -26.917 1.00 0.00 H new ATOM 497 N ILE A 33 -4.940 4.419 -27.065 1.00 0.00 N ATOM 498 CA ILE A 33 -5.544 5.710 -27.359 1.00 0.00 C ATOM 499 C ILE A 33 -5.641 5.902 -28.870 1.00 0.00 C ATOM 500 O ILE A 33 -4.709 5.574 -29.610 1.00 0.00 O ATOM 501 CB ILE A 33 -4.751 6.870 -26.705 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.453 8.210 -26.947 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.326 6.918 -27.230 1.00 0.00 C ATOM 504 CD1 ILE A 33 -4.818 9.375 -26.213 1.00 0.00 C ATOM 0 H ILE A 33 -4.095 4.220 -27.600 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.547 5.725 -26.933 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.714 6.687 -25.631 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.452 8.422 -28.016 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.495 8.124 -26.640 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.791 7.741 -26.755 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.823 5.978 -27.002 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.341 7.070 -28.309 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.370 10.289 -26.434 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.843 9.186 -25.140 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.784 9.489 -26.537 1.00 0.00 H new ATOM 516 N TYR A 34 -6.777 6.407 -29.329 1.00 0.00 N ATOM 517 CA TYR A 34 -7.034 6.520 -30.752 1.00 0.00 C ATOM 518 C TYR A 34 -6.661 7.913 -31.250 1.00 0.00 C ATOM 519 O TYR A 34 -7.128 8.916 -30.712 1.00 0.00 O ATOM 520 CB TYR A 34 -8.507 6.225 -31.043 1.00 0.00 C ATOM 521 CG TYR A 34 -9.014 4.976 -30.355 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.599 3.712 -30.758 1.00 0.00 C ATOM 523 CD2 TYR A 34 -9.909 5.065 -29.298 1.00 0.00 C ATOM 524 CE1 TYR A 34 -9.059 2.574 -30.120 1.00 0.00 C ATOM 525 CE2 TYR A 34 -10.374 3.935 -28.657 1.00 0.00 C ATOM 526 CZ TYR A 34 -9.947 2.693 -29.070 1.00 0.00 C ATOM 527 OH TYR A 34 -10.404 1.562 -28.427 1.00 0.00 O ATOM 0 H TYR A 34 -7.534 6.744 -28.734 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.420 5.790 -31.280 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.110 7.076 -30.727 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.644 6.120 -32.119 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.907 3.617 -31.582 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.248 6.037 -28.971 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.725 1.598 -30.441 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.069 4.024 -27.835 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.641 1.035 -28.110 1.00 0.00 H new ATOM 537 N LEU A 35 -5.824 7.963 -32.281 1.00 0.00 N ATOM 538 CA LEU A 35 -5.343 9.226 -32.844 1.00 0.00 C ATOM 539 C LEU A 35 -6.520 10.122 -33.243 1.00 0.00 C ATOM 540 O LEU A 35 -6.462 11.348 -33.111 1.00 0.00 O ATOM 541 CB LEU A 35 -4.458 8.926 -34.063 1.00 0.00 C ATOM 542 CG LEU A 35 -3.347 9.940 -34.373 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.913 11.266 -34.846 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.459 10.138 -33.157 1.00 0.00 C ATOM 0 H LEU A 35 -5.459 7.134 -32.751 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.759 9.757 -32.093 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.997 7.949 -33.917 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.101 8.847 -34.940 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.745 9.535 -35.186 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.096 11.957 -35.055 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.497 11.110 -35.753 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.553 11.686 -34.070 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.676 10.859 -33.392 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.058 10.510 -32.326 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.005 9.187 -32.880 1.00 0.00 H new ATOM 556 N ASP A 36 -7.589 9.489 -33.707 1.00 0.00 N ATOM 557 CA ASP A 36 -8.796 10.192 -34.128 1.00 0.00 C ATOM 558 C ASP A 36 -9.363 11.051 -33.000 1.00 0.00 C ATOM 559 O ASP A 36 -9.648 12.233 -33.192 1.00 0.00 O ATOM 560 CB ASP A 36 -9.842 9.177 -34.592 1.00 0.00 C ATOM 561 CG ASP A 36 -11.186 9.806 -34.902 1.00 0.00 C ATOM 562 OD1 ASP A 36 -11.391 10.261 -36.047 1.00 0.00 O ATOM 563 OD2 ASP A 36 -12.054 9.826 -34.004 1.00 0.00 O ATOM 0 H ASP A 36 -7.645 8.475 -33.803 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.537 10.856 -34.953 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.473 8.665 -35.481 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.972 8.419 -33.819 1.00 0.00 H new ATOM 568 N ASP A 37 -9.498 10.461 -31.816 1.00 0.00 N ATOM 569 CA ASP A 37 -10.068 11.167 -30.672 1.00 0.00 C ATOM 570 C ASP A 37 -9.112 12.233 -30.161 1.00 0.00 C ATOM 571 O ASP A 37 -9.539 13.281 -29.673 1.00 0.00 O ATOM 572 CB ASP A 37 -10.412 10.195 -29.541 1.00 0.00 C ATOM 573 CG ASP A 37 -11.539 9.253 -29.903 1.00 0.00 C ATOM 574 OD1 ASP A 37 -12.719 9.657 -29.800 1.00 0.00 O ATOM 575 OD2 ASP A 37 -11.257 8.105 -30.298 1.00 0.00 O ATOM 0 H ASP A 37 -9.221 9.498 -31.623 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.986 11.649 -31.009 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.526 9.614 -29.285 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.689 10.762 -28.652 1.00 0.00 H new ATOM 580 N MET A 38 -7.817 11.969 -30.288 1.00 0.00 N ATOM 581 CA MET A 38 -6.795 12.911 -29.841 1.00 0.00 C ATOM 582 C MET A 38 -6.918 14.225 -30.602 1.00 0.00 C ATOM 583 O MET A 38 -6.860 15.303 -30.013 1.00 0.00 O ATOM 584 CB MET A 38 -5.396 12.321 -30.042 1.00 0.00 C ATOM 585 CG MET A 38 -5.201 10.968 -29.382 1.00 0.00 C ATOM 586 SD MET A 38 -3.537 10.309 -29.610 1.00 0.00 S ATOM 587 CE MET A 38 -2.585 11.431 -28.589 1.00 0.00 C ATOM 0 H MET A 38 -7.448 11.110 -30.697 1.00 0.00 H new ATOM 0 HA MET A 38 -6.946 13.101 -28.778 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.202 12.225 -31.110 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.658 13.018 -29.646 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.408 11.056 -28.316 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.925 10.263 -29.790 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.678 10.932 -28.248 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.317 12.313 -29.170 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.180 11.732 -27.727 1.00 0.00 H new ATOM 597 N PHE A 39 -7.120 14.122 -31.912 1.00 0.00 N ATOM 598 CA PHE A 39 -7.267 15.296 -32.766 1.00 0.00 C ATOM 599 C PHE A 39 -8.555 16.042 -32.420 1.00 0.00 C ATOM 600 O PHE A 39 -8.626 17.268 -32.526 1.00 0.00 O ATOM 601 CB PHE A 39 -7.263 14.881 -34.239 1.00 0.00 C ATOM 602 CG PHE A 39 -7.266 16.041 -35.195 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.101 16.746 -35.453 1.00 0.00 C ATOM 604 CD2 PHE A 39 -8.433 16.427 -35.832 1.00 0.00 C ATOM 605 CE1 PHE A 39 -6.102 17.814 -36.331 1.00 0.00 C ATOM 606 CE2 PHE A 39 -8.440 17.493 -36.710 1.00 0.00 C ATOM 607 CZ PHE A 39 -7.273 18.188 -36.960 1.00 0.00 C ATOM 0 H PHE A 39 -7.186 13.233 -32.407 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.424 15.966 -32.594 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.384 14.266 -34.431 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.136 14.259 -34.434 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.183 16.458 -34.963 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.349 15.888 -35.640 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.188 18.355 -36.525 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.357 17.783 -37.201 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.276 19.022 -37.646 1.00 0.00 H new ATOM 617 N GLU A 40 -9.563 15.295 -31.979 1.00 0.00 N ATOM 618 CA GLU A 40 -10.835 15.879 -31.578 1.00 0.00 C ATOM 619 C GLU A 40 -10.713 16.624 -30.251 1.00 0.00 C ATOM 620 O GLU A 40 -11.599 17.396 -29.880 1.00 0.00 O ATOM 621 CB GLU A 40 -11.908 14.797 -31.476 1.00 0.00 C ATOM 622 CG GLU A 40 -12.462 14.366 -32.822 1.00 0.00 C ATOM 623 CD GLU A 40 -13.096 15.518 -33.575 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.285 15.813 -33.333 1.00 0.00 O ATOM 625 OE2 GLU A 40 -12.404 16.151 -34.399 1.00 0.00 O ATOM 0 H GLU A 40 -9.521 14.280 -31.891 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.126 16.599 -32.343 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.489 13.928 -30.969 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.726 15.164 -30.856 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.660 13.939 -33.423 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.202 13.580 -32.674 1.00 0.00 H new ATOM 632 N GLY A 41 -9.615 16.390 -29.543 1.00 0.00 N ATOM 633 CA GLY A 41 -9.384 17.077 -28.289 1.00 0.00 C ATOM 634 C GLY A 41 -9.573 16.176 -27.088 1.00 0.00 C ATOM 635 O GLY A 41 -9.434 16.616 -25.945 1.00 0.00 O ATOM 0 H GLY A 41 -8.881 15.736 -29.816 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.371 17.479 -28.281 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.065 17.925 -28.213 1.00 0.00 H new ATOM 639 N GLU A 42 -9.897 14.919 -27.336 1.00 0.00 N ATOM 640 CA GLU A 42 -10.075 13.959 -26.259 1.00 0.00 C ATOM 641 C GLU A 42 -8.817 13.111 -26.112 1.00 0.00 C ATOM 642 O GLU A 42 -8.641 12.113 -26.810 1.00 0.00 O ATOM 643 CB GLU A 42 -11.296 13.073 -26.524 1.00 0.00 C ATOM 644 CG GLU A 42 -11.698 12.218 -25.332 1.00 0.00 C ATOM 645 CD GLU A 42 -13.038 11.539 -25.532 1.00 0.00 C ATOM 646 OE1 GLU A 42 -14.062 12.249 -25.576 1.00 0.00 O ATOM 647 OE2 GLU A 42 -13.077 10.294 -25.632 1.00 0.00 O ATOM 0 H GLU A 42 -10.042 14.539 -28.271 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.247 14.499 -25.328 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.138 13.704 -26.808 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.085 12.422 -27.373 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.933 11.461 -25.157 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.740 12.842 -24.439 1.00 0.00 H new ATOM 654 N LYS A 43 -7.928 13.527 -25.224 1.00 0.00 N ATOM 655 CA LYS A 43 -6.663 12.830 -25.060 1.00 0.00 C ATOM 656 C LYS A 43 -6.643 12.014 -23.767 1.00 0.00 C ATOM 657 O LYS A 43 -6.460 12.537 -22.669 1.00 0.00 O ATOM 658 CB LYS A 43 -5.469 13.798 -25.131 1.00 0.00 C ATOM 659 CG LYS A 43 -5.357 14.811 -23.996 1.00 0.00 C ATOM 660 CD LYS A 43 -6.402 15.907 -24.073 1.00 0.00 C ATOM 661 CE LYS A 43 -6.028 17.063 -23.174 1.00 0.00 C ATOM 662 NZ LYS A 43 -6.000 16.673 -21.737 1.00 0.00 N ATOM 0 H LYS A 43 -8.056 14.334 -24.613 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.565 12.133 -25.892 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.552 13.210 -25.157 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.525 14.343 -26.073 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.453 14.292 -23.042 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.365 15.261 -24.015 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.497 16.255 -25.102 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.374 15.511 -23.780 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.049 17.444 -23.464 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.741 17.875 -23.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.690 17.483 -21.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.952 16.381 -21.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.338 15.882 -21.605 1.00 0.00 H new ATOM 676 N VAL A 44 -6.857 10.719 -23.913 1.00 0.00 N ATOM 677 CA VAL A 44 -6.851 9.797 -22.789 1.00 0.00 C ATOM 678 C VAL A 44 -6.793 8.361 -23.298 1.00 0.00 C ATOM 679 O VAL A 44 -7.541 7.984 -24.202 1.00 0.00 O ATOM 680 CB VAL A 44 -8.085 10.005 -21.869 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.360 10.128 -22.686 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.215 8.879 -20.855 1.00 0.00 C ATOM 0 H VAL A 44 -7.040 10.276 -24.813 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.964 10.000 -22.189 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.932 10.937 -21.325 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.208 10.273 -22.017 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.279 10.981 -23.360 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.508 9.218 -23.268 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.088 9.054 -20.227 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.329 7.930 -21.378 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.321 8.845 -20.233 1.00 0.00 H new ATOM 692 N ALA A 45 -5.889 7.579 -22.740 1.00 0.00 N ATOM 693 CA ALA A 45 -5.737 6.193 -23.140 1.00 0.00 C ATOM 694 C ALA A 45 -6.425 5.276 -22.140 1.00 0.00 C ATOM 695 O ALA A 45 -6.360 5.499 -20.928 1.00 0.00 O ATOM 696 CB ALA A 45 -4.262 5.840 -23.271 1.00 0.00 C ATOM 0 H ALA A 45 -5.247 7.881 -22.007 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.210 6.054 -24.112 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.163 4.797 -23.572 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.800 6.480 -24.023 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.765 5.990 -22.312 1.00 0.00 H new ATOM 702 N VAL A 46 -7.097 4.262 -22.655 1.00 0.00 N ATOM 703 CA VAL A 46 -7.805 3.312 -21.819 1.00 0.00 C ATOM 704 C VAL A 46 -7.197 1.934 -21.965 1.00 0.00 C ATOM 705 O VAL A 46 -6.816 1.526 -23.061 1.00 0.00 O ATOM 706 CB VAL A 46 -9.310 3.255 -22.167 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.523 2.928 -23.638 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.044 2.255 -21.282 1.00 0.00 C ATOM 0 H VAL A 46 -7.167 4.076 -23.655 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.709 3.648 -20.787 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.727 4.244 -21.977 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.591 2.895 -23.852 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.053 3.695 -24.253 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.077 1.959 -23.864 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.100 2.238 -21.551 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.617 1.262 -21.424 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.940 2.549 -20.237 1.00 0.00 H new ATOM 718 N CYS A 47 -7.076 1.230 -20.863 1.00 0.00 N ATOM 719 CA CYS A 47 -6.582 -0.122 -20.910 1.00 0.00 C ATOM 720 C CYS A 47 -7.700 -1.100 -20.579 1.00 0.00 C ATOM 721 O CYS A 47 -8.259 -1.066 -19.482 1.00 0.00 O ATOM 722 CB CYS A 47 -5.423 -0.310 -19.936 1.00 0.00 C ATOM 723 SG CYS A 47 -4.383 -1.761 -20.293 1.00 0.00 S ATOM 0 H CYS A 47 -7.312 1.570 -19.931 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.221 -0.318 -21.919 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.799 0.584 -19.953 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.822 -0.402 -18.926 1.00 0.00 H new ATOM 728 N PRO A 48 -8.075 -1.949 -21.540 1.00 0.00 N ATOM 729 CA PRO A 48 -9.018 -3.029 -21.300 1.00 0.00 C ATOM 730 C PRO A 48 -8.389 -4.133 -20.453 1.00 0.00 C ATOM 731 O PRO A 48 -7.167 -4.238 -20.382 1.00 0.00 O ATOM 732 CB PRO A 48 -9.371 -3.536 -22.697 1.00 0.00 C ATOM 733 CG PRO A 48 -8.241 -3.118 -23.572 1.00 0.00 C ATOM 734 CD PRO A 48 -7.604 -1.911 -22.932 1.00 0.00 C ATOM 0 HA PRO A 48 -9.896 -2.699 -20.744 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.491 -4.619 -22.702 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.313 -3.110 -23.042 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.516 -3.925 -23.676 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.598 -2.879 -24.574 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.516 -1.959 -22.986 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.907 -0.990 -23.430 1.00 0.00 H new ATOM 742 N SER A 49 -9.245 -4.909 -19.786 1.00 0.00 N ATOM 743 CA SER A 49 -8.840 -6.010 -18.903 1.00 0.00 C ATOM 744 C SER A 49 -8.649 -5.503 -17.478 1.00 0.00 C ATOM 745 O SER A 49 -9.332 -5.959 -16.559 1.00 0.00 O ATOM 746 CB SER A 49 -7.578 -6.739 -19.408 1.00 0.00 C ATOM 747 OG SER A 49 -7.209 -7.807 -18.550 1.00 0.00 O ATOM 0 H SER A 49 -10.256 -4.790 -19.844 1.00 0.00 H new ATOM 0 HA SER A 49 -9.645 -6.745 -18.910 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.758 -7.124 -20.412 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.753 -6.030 -19.482 1.00 0.00 H new ATOM 0 HG SER A 49 -6.407 -8.247 -18.902 1.00 0.00 H new ATOM 753 N CYS A 50 -7.746 -4.547 -17.285 1.00 0.00 N ATOM 754 CA CYS A 50 -7.551 -3.976 -15.959 1.00 0.00 C ATOM 755 C CYS A 50 -8.489 -2.783 -15.769 1.00 0.00 C ATOM 756 O CYS A 50 -8.923 -2.490 -14.653 1.00 0.00 O ATOM 757 CB CYS A 50 -6.087 -3.573 -15.733 1.00 0.00 C ATOM 758 SG CYS A 50 -5.514 -2.171 -16.742 1.00 0.00 S ATOM 0 H CYS A 50 -7.149 -4.158 -18.015 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.792 -4.735 -15.214 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.952 -3.323 -14.681 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.452 -4.434 -15.940 1.00 0.00 H new ATOM 763 N SER A 51 -8.806 -2.124 -16.885 1.00 0.00 N ATOM 764 CA SER A 51 -9.771 -1.031 -16.923 1.00 0.00 C ATOM 765 C SER A 51 -9.245 0.211 -16.200 1.00 0.00 C ATOM 766 O SER A 51 -9.674 0.528 -15.085 1.00 0.00 O ATOM 767 CB SER A 51 -11.119 -1.480 -16.337 1.00 0.00 C ATOM 768 OG SER A 51 -12.124 -0.493 -16.505 1.00 0.00 O ATOM 0 H SER A 51 -8.395 -2.338 -17.794 1.00 0.00 H new ATOM 0 HA SER A 51 -9.923 -0.758 -17.967 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.434 -2.405 -16.819 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.999 -1.699 -15.276 1.00 0.00 H new ATOM 0 HG SER A 51 -12.966 -0.815 -16.122 1.00 0.00 H new ATOM 774 N LEU A 52 -8.311 0.909 -16.834 1.00 0.00 N ATOM 775 CA LEU A 52 -7.789 2.151 -16.295 1.00 0.00 C ATOM 776 C LEU A 52 -7.625 3.170 -17.417 1.00 0.00 C ATOM 777 O LEU A 52 -7.438 2.803 -18.574 1.00 0.00 O ATOM 778 CB LEU A 52 -6.453 1.906 -15.583 1.00 0.00 C ATOM 779 CG LEU A 52 -5.828 3.130 -14.903 1.00 0.00 C ATOM 780 CD1 LEU A 52 -6.750 3.679 -13.822 1.00 0.00 C ATOM 781 CD2 LEU A 52 -4.470 2.775 -14.314 1.00 0.00 C ATOM 0 H LEU A 52 -7.900 0.632 -17.726 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.493 2.546 -15.563 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.600 1.131 -14.831 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.741 1.514 -16.310 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.689 3.905 -15.657 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.285 4.547 -13.354 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.700 3.973 -14.269 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.925 2.911 -13.069 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.040 3.655 -13.835 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.590 1.982 -13.576 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.807 2.434 -15.109 1.00 0.00 H new ATOM 793 N MET A 53 -7.721 4.444 -17.072 1.00 0.00 N ATOM 794 CA MET A 53 -7.607 5.519 -18.051 1.00 0.00 C ATOM 795 C MET A 53 -6.679 6.604 -17.545 1.00 0.00 C ATOM 796 O MET A 53 -6.734 6.984 -16.375 1.00 0.00 O ATOM 797 CB MET A 53 -8.978 6.130 -18.334 1.00 0.00 C ATOM 798 CG MET A 53 -9.976 5.147 -18.912 1.00 0.00 C ATOM 799 SD MET A 53 -11.672 5.749 -18.828 1.00 0.00 S ATOM 800 CE MET A 53 -11.837 5.998 -17.057 1.00 0.00 C ATOM 0 H MET A 53 -7.879 4.763 -16.116 1.00 0.00 H new ATOM 0 HA MET A 53 -7.201 5.094 -18.969 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.381 6.541 -17.408 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.859 6.963 -19.027 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.718 4.942 -19.951 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.903 4.202 -18.373 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.876 5.846 -16.763 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.202 5.286 -16.529 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.533 7.013 -16.802 1.00 0.00 H new ATOM 810 N ILE A 54 -5.834 7.106 -18.430 1.00 0.00 N ATOM 811 CA ILE A 54 -4.910 8.183 -18.086 1.00 0.00 C ATOM 812 C ILE A 54 -4.860 9.213 -19.212 1.00 0.00 C ATOM 813 O ILE A 54 -5.114 8.886 -20.373 1.00 0.00 O ATOM 814 CB ILE A 54 -3.470 7.677 -17.786 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.698 7.342 -19.072 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.507 6.468 -16.860 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.285 6.210 -19.878 1.00 0.00 C ATOM 0 H ILE A 54 -5.766 6.786 -19.396 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.292 8.638 -17.172 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.940 8.489 -17.287 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.656 8.233 -19.698 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.671 7.089 -18.809 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.490 6.130 -16.663 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.986 6.744 -15.921 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.071 5.664 -17.333 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.677 6.043 -20.767 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.301 5.303 -19.273 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.302 6.465 -20.177 1.00 0.00 H new ATOM 829 N ASP A 55 -4.535 10.443 -18.863 1.00 0.00 N ATOM 830 CA ASP A 55 -4.504 11.540 -19.822 1.00 0.00 C ATOM 831 C ASP A 55 -3.206 11.485 -20.611 1.00 0.00 C ATOM 832 O ASP A 55 -2.196 10.991 -20.109 1.00 0.00 O ATOM 833 CB ASP A 55 -4.597 12.867 -19.073 1.00 0.00 C ATOM 834 CG ASP A 55 -5.235 13.978 -19.885 1.00 0.00 C ATOM 835 OD1 ASP A 55 -4.619 14.452 -20.860 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.359 14.402 -19.530 1.00 0.00 O ATOM 0 H ASP A 55 -4.285 10.713 -17.912 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.346 11.452 -20.509 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.173 12.719 -18.159 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.596 13.176 -18.773 1.00 0.00 H new ATOM 841 N VAL A 56 -3.222 11.978 -21.835 1.00 0.00 N ATOM 842 CA VAL A 56 -2.027 11.940 -22.668 1.00 0.00 C ATOM 843 C VAL A 56 -1.767 13.299 -23.313 1.00 0.00 C ATOM 844 O VAL A 56 -2.555 13.765 -24.131 1.00 0.00 O ATOM 845 CB VAL A 56 -2.143 10.866 -23.769 1.00 0.00 C ATOM 846 CG1 VAL A 56 -0.889 10.830 -24.628 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.417 9.500 -23.167 1.00 0.00 C ATOM 0 H VAL A 56 -4.037 12.406 -22.274 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.191 11.686 -22.017 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.985 11.132 -24.408 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.996 10.065 -25.397 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.744 11.801 -25.101 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.026 10.598 -24.003 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.495 8.760 -23.964 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.602 9.228 -22.497 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.352 9.530 -22.607 1.00 0.00 H new ATOM 857 N VAL A 57 -0.655 13.919 -22.951 1.00 0.00 N ATOM 858 CA VAL A 57 -0.302 15.232 -23.479 1.00 0.00 C ATOM 859 C VAL A 57 0.077 15.131 -24.953 1.00 0.00 C ATOM 860 O VAL A 57 1.042 14.454 -25.305 1.00 0.00 O ATOM 861 CB VAL A 57 0.874 15.858 -22.702 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.159 17.269 -23.198 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.588 15.862 -21.206 1.00 0.00 C ATOM 0 H VAL A 57 0.022 13.535 -22.292 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.178 15.871 -23.364 1.00 0.00 H new ATOM 0 HB VAL A 57 1.761 15.250 -22.879 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.992 17.691 -22.636 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.415 17.238 -24.257 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.274 17.890 -23.057 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.430 16.308 -20.676 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.313 16.443 -21.009 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.443 14.838 -20.861 1.00 0.00 H new ATOM 873 N PHE A 58 -0.684 15.804 -25.806 1.00 0.00 N ATOM 874 CA PHE A 58 -0.449 15.751 -27.243 1.00 0.00 C ATOM 875 C PHE A 58 -0.222 17.150 -27.800 1.00 0.00 C ATOM 876 O PHE A 58 -0.603 18.145 -27.181 1.00 0.00 O ATOM 877 CB PHE A 58 -1.640 15.098 -27.962 1.00 0.00 C ATOM 878 CG PHE A 58 -2.857 15.981 -28.056 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.672 16.184 -26.956 1.00 0.00 C ATOM 880 CD2 PHE A 58 -3.182 16.608 -29.250 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.786 16.997 -27.041 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.295 17.422 -29.340 1.00 0.00 C ATOM 883 CZ PHE A 58 -5.098 17.615 -28.234 1.00 0.00 C ATOM 0 H PHE A 58 -1.469 16.393 -25.528 1.00 0.00 H new ATOM 0 HA PHE A 58 0.444 15.150 -27.416 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.332 14.813 -28.968 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.909 14.180 -27.439 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.434 15.701 -26.020 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.558 16.458 -30.119 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.412 17.148 -26.174 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.536 17.907 -30.275 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.970 18.249 -28.303 1.00 0.00 H new ATOM 893 N ASP A 59 0.395 17.218 -28.970 1.00 0.00 N ATOM 894 CA ASP A 59 0.579 18.487 -29.659 1.00 0.00 C ATOM 895 C ASP A 59 0.148 18.345 -31.104 1.00 0.00 C ATOM 896 O ASP A 59 -0.043 17.234 -31.604 1.00 0.00 O ATOM 897 CB ASP A 59 2.041 18.945 -29.612 1.00 0.00 C ATOM 898 CG ASP A 59 2.188 20.455 -29.731 1.00 0.00 C ATOM 899 OD1 ASP A 59 1.889 21.009 -30.813 1.00 0.00 O ATOM 900 OD2 ASP A 59 2.596 21.098 -28.742 1.00 0.00 O ATOM 0 H ASP A 59 0.777 16.410 -29.462 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.031 19.236 -29.153 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.491 18.613 -28.677 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.594 18.466 -30.420 1.00 0.00 H new ATOM 905 N LYS A 60 0.021 19.475 -31.764 1.00 0.00 N ATOM 906 CA LYS A 60 -0.353 19.539 -33.162 1.00 0.00 C ATOM 907 C LYS A 60 0.712 18.859 -33.998 1.00 0.00 C ATOM 908 O LYS A 60 0.427 18.063 -34.891 1.00 0.00 O ATOM 909 CB LYS A 60 -0.450 21.000 -33.587 1.00 0.00 C ATOM 910 CG LYS A 60 -1.195 21.882 -32.599 1.00 0.00 C ATOM 911 CD LYS A 60 -0.971 23.356 -32.891 1.00 0.00 C ATOM 912 CE LYS A 60 0.511 23.727 -32.883 1.00 0.00 C ATOM 913 NZ LYS A 60 1.156 23.495 -31.559 1.00 0.00 N ATOM 0 H LYS A 60 0.177 20.389 -31.339 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.312 19.042 -33.306 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.556 21.395 -33.725 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.949 21.054 -34.555 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.261 21.659 -32.642 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.863 21.656 -31.586 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.400 23.601 -33.862 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.498 23.956 -32.149 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.031 23.144 -33.643 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.620 24.776 -33.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.155 23.779 -31.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.669 24.058 -30.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.094 22.486 -31.315 1.00 0.00 H new ATOM 927 N GLU A 61 1.950 19.191 -33.668 1.00 0.00 N ATOM 928 CA GLU A 61 3.111 18.721 -34.401 1.00 0.00 C ATOM 929 C GLU A 61 3.314 17.226 -34.207 1.00 0.00 C ATOM 930 O GLU A 61 3.640 16.511 -35.155 1.00 0.00 O ATOM 931 CB GLU A 61 4.341 19.496 -33.939 1.00 0.00 C ATOM 932 CG GLU A 61 4.178 21.001 -34.086 1.00 0.00 C ATOM 933 CD GLU A 61 5.307 21.783 -33.451 1.00 0.00 C ATOM 934 OE1 GLU A 61 6.388 21.874 -34.063 1.00 0.00 O ATOM 935 OE2 GLU A 61 5.110 22.316 -32.339 1.00 0.00 O ATOM 0 H GLU A 61 2.177 19.797 -32.880 1.00 0.00 H new ATOM 0 HA GLU A 61 2.952 18.893 -35.466 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.544 19.257 -32.895 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.207 19.171 -34.515 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.120 21.253 -35.145 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.234 21.305 -33.634 1.00 0.00 H new ATOM 942 N ASP A 62 3.106 16.750 -32.982 1.00 0.00 N ATOM 943 CA ASP A 62 3.253 15.328 -32.689 1.00 0.00 C ATOM 944 C ASP A 62 2.251 14.500 -33.485 1.00 0.00 C ATOM 945 O ASP A 62 2.591 13.443 -34.021 1.00 0.00 O ATOM 946 CB ASP A 62 3.077 15.063 -31.197 1.00 0.00 C ATOM 947 CG ASP A 62 4.224 15.609 -30.379 1.00 0.00 C ATOM 948 OD1 ASP A 62 4.247 16.830 -30.122 1.00 0.00 O ATOM 949 OD2 ASP A 62 5.105 14.821 -29.983 1.00 0.00 O ATOM 0 H ASP A 62 2.837 17.323 -32.182 1.00 0.00 H new ATOM 0 HA ASP A 62 4.260 15.031 -32.983 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.144 15.514 -30.858 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.992 13.989 -31.028 1.00 0.00 H new ATOM 954 N LEU A 63 1.017 14.989 -33.563 1.00 0.00 N ATOM 955 CA LEU A 63 -0.016 14.318 -34.340 1.00 0.00 C ATOM 956 C LEU A 63 0.358 14.308 -35.816 1.00 0.00 C ATOM 957 O LEU A 63 0.266 13.274 -36.482 1.00 0.00 O ATOM 958 CB LEU A 63 -1.374 15.008 -34.159 1.00 0.00 C ATOM 959 CG LEU A 63 -1.922 15.029 -32.730 1.00 0.00 C ATOM 960 CD1 LEU A 63 -3.299 15.668 -32.706 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.973 13.623 -32.153 1.00 0.00 C ATOM 0 H LEU A 63 0.710 15.844 -33.099 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.095 13.292 -33.979 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.288 16.036 -34.511 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.102 14.511 -34.800 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.252 15.625 -32.110 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.678 15.677 -31.684 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.232 16.691 -33.077 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.977 15.096 -33.339 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.365 13.661 -31.137 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.621 13.000 -32.769 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.969 13.199 -32.139 1.00 0.00 H new ATOM 973 N ALA A 64 0.792 15.463 -36.311 1.00 0.00 N ATOM 974 CA ALA A 64 1.168 15.620 -37.711 1.00 0.00 C ATOM 975 C ALA A 64 2.266 14.636 -38.106 1.00 0.00 C ATOM 976 O ALA A 64 2.169 13.966 -39.139 1.00 0.00 O ATOM 977 CB ALA A 64 1.617 17.050 -37.976 1.00 0.00 C ATOM 0 H ALA A 64 0.893 16.313 -35.756 1.00 0.00 H new ATOM 0 HA ALA A 64 0.292 15.403 -38.322 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.895 17.156 -39.025 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.802 17.736 -37.746 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.476 17.284 -37.347 1.00 0.00 H new ATOM 983 N GLU A 65 3.297 14.551 -37.271 1.00 0.00 N ATOM 984 CA GLU A 65 4.406 13.627 -37.493 1.00 0.00 C ATOM 985 C GLU A 65 3.881 12.200 -37.619 1.00 0.00 C ATOM 986 O GLU A 65 4.248 11.463 -38.535 1.00 0.00 O ATOM 987 CB GLU A 65 5.394 13.713 -36.323 1.00 0.00 C ATOM 988 CG GLU A 65 6.845 13.917 -36.738 1.00 0.00 C ATOM 989 CD GLU A 65 7.382 12.786 -37.590 1.00 0.00 C ATOM 990 OE1 GLU A 65 7.207 12.836 -38.824 1.00 0.00 O ATOM 991 OE2 GLU A 65 8.015 11.864 -37.032 1.00 0.00 O ATOM 0 H GLU A 65 3.388 15.116 -36.427 1.00 0.00 H new ATOM 0 HA GLU A 65 4.916 13.901 -38.417 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.096 14.535 -35.672 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.322 12.798 -35.735 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.931 14.853 -37.290 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.462 14.016 -35.845 1.00 0.00 H new ATOM 998 N TYR A 66 2.997 11.831 -36.704 1.00 0.00 N ATOM 999 CA TYR A 66 2.465 10.482 -36.660 1.00 0.00 C ATOM 1000 C TYR A 66 1.577 10.186 -37.870 1.00 0.00 C ATOM 1001 O TYR A 66 1.577 9.065 -38.374 1.00 0.00 O ATOM 1002 CB TYR A 66 1.689 10.258 -35.364 1.00 0.00 C ATOM 1003 CG TYR A 66 1.243 8.829 -35.179 1.00 0.00 C ATOM 1004 CD1 TYR A 66 2.147 7.849 -34.794 1.00 0.00 C ATOM 1005 CD2 TYR A 66 -0.078 8.457 -35.392 1.00 0.00 C ATOM 1006 CE1 TYR A 66 1.752 6.540 -34.629 1.00 0.00 C ATOM 1007 CE2 TYR A 66 -0.481 7.149 -35.227 1.00 0.00 C ATOM 1008 CZ TYR A 66 0.437 6.194 -34.845 1.00 0.00 C ATOM 1009 OH TYR A 66 0.042 4.892 -34.684 1.00 0.00 O ATOM 0 H TYR A 66 2.633 12.451 -35.981 1.00 0.00 H new ATOM 0 HA TYR A 66 3.309 9.793 -36.692 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.313 10.549 -34.519 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.815 10.909 -35.354 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.179 8.118 -34.621 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.800 9.203 -35.691 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.469 5.789 -34.332 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.511 6.874 -35.396 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.047 4.693 -33.729 1.00 0.00 H new ATOM 1019 N TYR A 67 0.823 11.186 -38.333 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.012 11.018 -39.515 1.00 0.00 C ATOM 1021 C TYR A 67 0.818 10.502 -40.681 1.00 0.00 C ATOM 1022 O TYR A 67 0.450 9.530 -41.340 1.00 0.00 O ATOM 1023 CB TYR A 67 -0.671 12.338 -39.922 1.00 0.00 C ATOM 1024 CG TYR A 67 -1.888 12.721 -39.108 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -2.996 11.889 -39.043 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -1.937 13.929 -38.425 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -4.118 12.246 -38.321 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -3.052 14.293 -37.697 1.00 0.00 C ATOM 1029 CZ TYR A 67 -4.140 13.449 -37.648 1.00 0.00 C ATOM 1030 OH TYR A 67 -5.254 13.812 -36.927 1.00 0.00 O ATOM 0 H TYR A 67 0.776 12.112 -37.908 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.790 10.296 -39.265 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.067 13.136 -39.842 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.959 12.275 -40.971 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.981 10.945 -39.567 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.088 14.595 -38.464 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.973 11.587 -38.284 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.071 15.235 -37.168 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.163 14.742 -36.631 1.00 0.00 H new ATOM 1040 N GLU A 68 1.954 11.146 -40.911 1.00 0.00 N ATOM 1041 CA GLU A 68 2.830 10.784 -42.014 1.00 0.00 C ATOM 1042 C GLU A 68 3.455 9.412 -41.800 1.00 0.00 C ATOM 1043 O GLU A 68 3.508 8.600 -42.722 1.00 0.00 O ATOM 1044 CB GLU A 68 3.923 11.840 -42.187 1.00 0.00 C ATOM 1045 CG GLU A 68 3.385 13.185 -42.643 1.00 0.00 C ATOM 1046 CD GLU A 68 4.458 14.250 -42.717 1.00 0.00 C ATOM 1047 OE1 GLU A 68 5.234 14.259 -43.695 1.00 0.00 O ATOM 1048 OE2 GLU A 68 4.522 15.090 -41.800 1.00 0.00 O ATOM 0 H GLU A 68 2.291 11.925 -40.345 1.00 0.00 H new ATOM 0 HA GLU A 68 2.227 10.740 -42.921 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.449 11.968 -41.241 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.654 11.483 -42.913 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.922 13.073 -43.624 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.603 13.510 -41.957 1.00 0.00 H new ATOM 1055 N GLU A 69 3.901 9.147 -40.581 1.00 0.00 N ATOM 1056 CA GLU A 69 4.617 7.911 -40.284 1.00 0.00 C ATOM 1057 C GLU A 69 3.694 6.696 -40.222 1.00 0.00 C ATOM 1058 O GLU A 69 4.116 5.581 -40.527 1.00 0.00 O ATOM 1059 CB GLU A 69 5.403 8.060 -38.982 1.00 0.00 C ATOM 1060 CG GLU A 69 6.575 9.020 -39.101 1.00 0.00 C ATOM 1061 CD GLU A 69 7.464 8.710 -40.292 1.00 0.00 C ATOM 1062 OE1 GLU A 69 7.179 9.209 -41.402 1.00 0.00 O ATOM 1063 OE2 GLU A 69 8.452 7.965 -40.132 1.00 0.00 O ATOM 0 H GLU A 69 3.781 9.769 -39.781 1.00 0.00 H new ATOM 0 HA GLU A 69 5.310 7.733 -41.106 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.732 8.410 -38.197 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.772 7.082 -38.673 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.198 10.039 -39.189 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.169 8.978 -38.188 1.00 0.00 H new ATOM 1070 N ALA A 70 2.446 6.905 -39.835 1.00 0.00 N ATOM 1071 CA ALA A 70 1.485 5.814 -39.773 1.00 0.00 C ATOM 1072 C ALA A 70 0.802 5.607 -41.120 1.00 0.00 C ATOM 1073 O ALA A 70 0.276 4.527 -41.398 1.00 0.00 O ATOM 1074 CB ALA A 70 0.450 6.073 -38.687 1.00 0.00 C ATOM 0 H ALA A 70 2.075 7.815 -39.560 1.00 0.00 H new ATOM 0 HA ALA A 70 2.029 4.902 -39.525 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.260 5.246 -38.656 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.949 6.159 -37.722 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.081 6.999 -38.904 1.00 0.00 H new ATOM 1080 N GLY A 71 0.818 6.639 -41.957 1.00 0.00 N ATOM 1081 CA GLY A 71 0.183 6.549 -43.258 1.00 0.00 C ATOM 1082 C GLY A 71 -1.266 6.978 -43.209 1.00 0.00 C ATOM 1083 O GLY A 71 -2.124 6.389 -43.864 1.00 0.00 O ATOM 0 H GLY A 71 1.260 7.536 -41.757 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.723 7.174 -43.969 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.246 5.524 -43.623 1.00 0.00 H new ATOM 1087 N ILE A 72 -1.537 8.008 -42.423 1.00 0.00 N ATOM 1088 CA ILE A 72 -2.885 8.523 -42.274 1.00 0.00 C ATOM 1089 C ILE A 72 -3.055 9.762 -43.151 1.00 0.00 C ATOM 1090 O ILE A 72 -2.121 10.166 -43.846 1.00 0.00 O ATOM 1091 CB ILE A 72 -3.192 8.888 -40.801 1.00 0.00 C ATOM 1092 CG1 ILE A 72 -2.425 7.968 -39.845 1.00 0.00 C ATOM 1093 CG2 ILE A 72 -4.690 8.785 -40.531 1.00 0.00 C ATOM 1094 CD1 ILE A 72 -2.640 8.292 -38.381 1.00 0.00 C ATOM 0 H ILE A 72 -0.834 8.505 -41.876 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.582 7.744 -42.583 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.870 9.915 -40.630 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.727 6.937 -40.027 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.360 8.033 -40.069 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.891 9.044 -39.492 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.226 9.471 -41.186 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.025 7.765 -40.722 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.065 7.599 -37.767 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.311 9.312 -38.182 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.699 8.199 -38.139 1.00 0.00 H new ATOM 1106 N HIS A 73 -4.244 10.357 -43.123 1.00 0.00 N ATOM 1107 CA HIS A 73 -4.523 11.561 -43.895 1.00 0.00 C ATOM 1108 C HIS A 73 -3.647 12.709 -43.421 1.00 0.00 C ATOM 1109 O HIS A 73 -3.390 12.843 -42.225 1.00 0.00 O ATOM 1110 CB HIS A 73 -5.994 11.969 -43.762 1.00 0.00 C ATOM 1111 CG HIS A 73 -6.969 10.974 -44.307 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -8.052 10.516 -43.590 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -7.033 10.366 -45.512 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -8.742 9.671 -44.332 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -8.144 9.562 -45.503 1.00 0.00 N ATOM 0 H HIS A 73 -5.033 10.022 -42.570 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.307 11.341 -44.940 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.217 12.136 -42.708 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.141 12.920 -44.274 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.339 10.490 -46.330 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -9.643 9.156 -44.032 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -8.457 8.975 -46.276 1.00 0.00 H new ATOM 1124 N PRO A 74 -3.159 13.540 -44.351 1.00 0.00 N ATOM 1125 CA PRO A 74 -2.420 14.753 -44.006 1.00 0.00 C ATOM 1126 C PRO A 74 -3.257 15.672 -43.118 1.00 0.00 C ATOM 1127 O PRO A 74 -4.431 15.919 -43.405 1.00 0.00 O ATOM 1128 CB PRO A 74 -2.144 15.407 -45.364 1.00 0.00 C ATOM 1129 CG PRO A 74 -2.235 14.292 -46.348 1.00 0.00 C ATOM 1130 CD PRO A 74 -3.273 13.354 -45.806 1.00 0.00 C ATOM 0 HA PRO A 74 -1.510 14.546 -43.442 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.872 16.188 -45.582 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.159 15.874 -45.385 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.518 14.662 -47.333 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.274 13.790 -46.460 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.271 13.603 -46.168 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.077 12.322 -46.098 1.00 0.00 H new ATOM 1138 N PRO A 75 -2.664 16.173 -42.028 1.00 0.00 N ATOM 1139 CA PRO A 75 -3.370 16.983 -41.026 1.00 0.00 C ATOM 1140 C PRO A 75 -3.896 18.300 -41.584 1.00 0.00 C ATOM 1141 O PRO A 75 -3.492 18.738 -42.665 1.00 0.00 O ATOM 1142 CB PRO A 75 -2.302 17.251 -39.959 1.00 0.00 C ATOM 1143 CG PRO A 75 -1.006 17.080 -40.667 1.00 0.00 C ATOM 1144 CD PRO A 75 -1.241 16.005 -41.687 1.00 0.00 C ATOM 0 HA PRO A 75 -4.253 16.465 -40.652 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.398 18.256 -39.547 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.392 16.555 -39.125 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -0.694 18.010 -41.143 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.215 16.796 -39.973 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -0.600 16.130 -42.560 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.038 15.014 -41.282 1.00 0.00 H new ATOM 1152 N GLU A 76 -4.801 18.918 -40.836 1.00 0.00 N ATOM 1153 CA GLU A 76 -5.313 20.229 -41.194 1.00 0.00 C ATOM 1154 C GLU A 76 -4.238 21.264 -40.925 1.00 0.00 C ATOM 1155 O GLU A 76 -3.523 21.166 -39.926 1.00 0.00 O ATOM 1156 CB GLU A 76 -6.577 20.566 -40.394 1.00 0.00 C ATOM 1157 CG GLU A 76 -7.861 19.995 -40.976 1.00 0.00 C ATOM 1158 CD GLU A 76 -7.856 18.486 -41.070 1.00 0.00 C ATOM 1159 OE1 GLU A 76 -7.360 17.951 -42.083 1.00 0.00 O ATOM 1160 OE2 GLU A 76 -8.366 17.827 -40.143 1.00 0.00 O ATOM 0 H GLU A 76 -5.194 18.530 -39.978 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.578 20.229 -42.251 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.458 20.195 -39.376 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.673 21.650 -40.329 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.703 20.311 -40.360 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.019 20.413 -41.970 1.00 0.00 H new ATOM 1167 N PRO A 77 -4.100 22.247 -41.825 1.00 0.00 N ATOM 1168 CA PRO A 77 -3.043 23.253 -41.759 1.00 0.00 C ATOM 1169 C PRO A 77 -2.941 23.926 -40.399 1.00 0.00 C ATOM 1170 O PRO A 77 -3.940 24.355 -39.815 1.00 0.00 O ATOM 1171 CB PRO A 77 -3.427 24.277 -42.827 1.00 0.00 C ATOM 1172 CG PRO A 77 -4.815 23.926 -43.247 1.00 0.00 C ATOM 1173 CD PRO A 77 -4.970 22.458 -42.987 1.00 0.00 C ATOM 0 HA PRO A 77 -2.066 22.797 -41.921 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.383 25.291 -42.430 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.740 24.236 -43.673 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.550 24.501 -42.684 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.972 24.154 -44.301 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.005 22.191 -42.773 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.657 21.859 -43.842 1.00 0.00 H new ATOM 1181 N ILE A 78 -1.715 24.032 -39.924 1.00 0.00 N ATOM 1182 CA ILE A 78 -1.430 24.570 -38.601 1.00 0.00 C ATOM 1183 C ILE A 78 -0.158 25.404 -38.638 1.00 0.00 C ATOM 1184 O ILE A 78 0.555 25.410 -39.644 1.00 0.00 O ATOM 1185 CB ILE A 78 -1.250 23.446 -37.553 1.00 0.00 C ATOM 1186 CG1 ILE A 78 -0.282 22.379 -38.081 1.00 0.00 C ATOM 1187 CG2 ILE A 78 -2.591 22.832 -37.183 1.00 0.00 C ATOM 1188 CD1 ILE A 78 0.005 21.264 -37.098 1.00 0.00 C ATOM 0 H ILE A 78 -0.884 23.748 -40.443 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.282 25.186 -38.313 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.823 23.879 -36.649 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.696 21.948 -38.993 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.658 22.859 -38.354 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.439 22.044 -36.445 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.240 23.601 -36.765 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.056 22.410 -38.074 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.697 20.552 -37.548 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.450 21.681 -36.194 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.925 20.755 -36.843 1.00 0.00 H new ATOM 1200 N ALA A 79 0.132 26.096 -37.549 1.00 0.00 N ATOM 1201 CA ALA A 79 1.352 26.876 -37.461 1.00 0.00 C ATOM 1202 C ALA A 79 2.505 25.998 -36.991 1.00 0.00 C ATOM 1203 O ALA A 79 2.858 25.994 -35.811 1.00 0.00 O ATOM 1204 CB ALA A 79 1.161 28.065 -36.533 1.00 0.00 C ATOM 0 H ALA A 79 -0.458 26.133 -36.718 1.00 0.00 H new ATOM 0 HA ALA A 79 1.594 27.259 -38.452 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.087 28.638 -36.480 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.363 28.701 -36.916 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.896 27.710 -35.537 1.00 0.00 H new ATOM 1210 N ALA A 80 3.049 25.219 -37.917 1.00 0.00 N ATOM 1211 CA ALA A 80 4.166 24.331 -37.626 1.00 0.00 C ATOM 1212 C ALA A 80 5.230 24.450 -38.710 1.00 0.00 C ATOM 1213 O ALA A 80 5.529 23.489 -39.421 1.00 0.00 O ATOM 1214 CB ALA A 80 3.682 22.892 -37.497 1.00 0.00 C ATOM 0 H ALA A 80 2.730 25.185 -38.885 1.00 0.00 H new ATOM 0 HA ALA A 80 4.610 24.626 -36.675 1.00 0.00 H new ATOM 0 HB1 ALA A 80 4.529 22.241 -37.280 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.955 22.824 -36.688 1.00 0.00 H new ATOM 0 HB3 ALA A 80 3.215 22.580 -38.431 1.00 0.00 H new ATOM 1220 N ALA A 81 5.782 25.644 -38.841 1.00 0.00 N ATOM 1221 CA ALA A 81 6.805 25.914 -39.837 1.00 0.00 C ATOM 1222 C ALA A 81 7.753 26.980 -39.321 1.00 0.00 C ATOM 1223 O ALA A 81 7.477 27.619 -38.302 1.00 0.00 O ATOM 1224 CB ALA A 81 6.169 26.350 -41.150 1.00 0.00 C ATOM 0 H ALA A 81 5.536 26.449 -38.264 1.00 0.00 H new ATOM 0 HA ALA A 81 7.370 25.001 -40.023 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.950 26.548 -41.884 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.516 25.559 -41.519 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.585 27.256 -40.988 1.00 0.00 H new ATOM 1230 N ALA A 82 8.865 27.171 -40.014 1.00 0.00 N ATOM 1231 CA ALA A 82 9.851 28.153 -39.607 1.00 0.00 C ATOM 1232 C ALA A 82 10.233 29.039 -40.784 1.00 0.00 C ATOM 1233 O ALA A 82 11.177 28.683 -41.525 1.00 0.00 O ATOM 1234 CB ALA A 82 11.077 27.465 -39.021 1.00 0.00 C ATOM 1235 OXT ALA A 82 9.576 30.084 -40.971 1.00 0.00 O ATOM 0 H ALA A 82 9.105 26.657 -40.862 1.00 0.00 H new ATOM 0 HA ALA A 82 9.416 28.785 -38.833 1.00 0.00 H new ATOM 0 HB1 ALA A 82 11.807 28.216 -38.721 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.783 26.877 -38.152 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.519 26.809 -39.771 1.00 0.00 H new TER 1241 ALA A 82 HETATM 1242 ZN ZN A 83 -3.965 -2.890 -18.313 1.00 0.00 ZN