USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=16 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= 0.886 K(o=1.9,f=-0.23) USER MOD Set 1.2: A 34 TYR OH : rot 68:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 179:sc= -0.165 (180deg=-0.171) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -163:sc= 1.28 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -120:sc= -0.72 (180deg=-2.45!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.962 K(o=0.96,f=-0.01) USER MOD Single : A 19 GLN : amide:sc= 0.903 K(o=0.9,f=-0.15) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -8:sc= 0.582 USER MOD Single : A 23 TYR OH : rot 39:sc= 1.24 USER MOD Single : A 38 MET CE :methyl 147:sc= -0.128 (180deg=-0.76) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -149:sc= -0.395 (180deg=-1.44!) USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.17) USER MOD Single : A 66 TYR OH : rot 81:sc= 0.417 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.535 7.009 -11.811 1.00 0.00 N ATOM 2 CA MET A 1 -13.818 7.182 -13.243 1.00 0.00 C ATOM 3 C MET A 1 -13.005 8.323 -13.851 1.00 0.00 C ATOM 4 O MET A 1 -13.342 8.838 -14.919 1.00 0.00 O ATOM 5 CB MET A 1 -15.313 7.433 -13.482 1.00 0.00 C ATOM 6 CG MET A 1 -16.199 6.237 -13.173 1.00 0.00 C ATOM 7 SD MET A 1 -17.938 6.547 -13.550 1.00 0.00 S ATOM 8 CE MET A 1 -18.672 4.971 -13.114 1.00 0.00 C ATOM 0 H1 MET A 1 -14.119 6.236 -11.433 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.529 6.778 -11.681 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.756 7.890 -11.305 1.00 0.00 H new ATOM 0 HA MET A 1 -13.526 6.254 -13.735 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.632 8.276 -12.869 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.460 7.722 -14.523 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.854 5.376 -13.746 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.100 5.978 -12.119 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.747 5.008 -13.293 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.230 4.183 -13.723 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.487 4.762 -12.060 1.00 0.00 H new ATOM 18 N SER A 2 -11.930 8.704 -13.186 1.00 0.00 N ATOM 19 CA SER A 2 -11.079 9.772 -13.667 1.00 0.00 C ATOM 20 C SER A 2 -9.734 9.215 -14.110 1.00 0.00 C ATOM 21 O SER A 2 -9.478 8.014 -13.987 1.00 0.00 O ATOM 22 CB SER A 2 -10.893 10.821 -12.572 1.00 0.00 C ATOM 23 OG SER A 2 -10.477 10.218 -11.356 1.00 0.00 O ATOM 0 H SER A 2 -11.626 8.286 -12.307 1.00 0.00 H new ATOM 0 HA SER A 2 -11.553 10.245 -14.527 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.153 11.556 -12.889 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.829 11.358 -12.415 1.00 0.00 H new ATOM 0 HG SER A 2 -10.363 10.909 -10.671 1.00 0.00 H new ATOM 29 N THR A 3 -8.882 10.082 -14.623 1.00 0.00 N ATOM 30 CA THR A 3 -7.568 9.683 -15.079 1.00 0.00 C ATOM 31 C THR A 3 -6.572 9.696 -13.924 1.00 0.00 C ATOM 32 O THR A 3 -6.384 10.716 -13.260 1.00 0.00 O ATOM 33 CB THR A 3 -7.095 10.615 -16.200 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.312 11.978 -15.818 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.846 10.320 -17.489 1.00 0.00 C ATOM 0 H THR A 3 -9.081 11.076 -14.734 1.00 0.00 H new ATOM 0 HA THR A 3 -7.629 8.666 -15.467 1.00 0.00 H new ATOM 0 HB THR A 3 -6.031 10.448 -16.368 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.275 12.550 -16.613 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.498 10.991 -18.275 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.665 9.287 -17.787 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.914 10.470 -17.330 1.00 0.00 H new ATOM 43 N TYR A 4 -5.948 8.554 -13.674 1.00 0.00 N ATOM 44 CA TYR A 4 -5.040 8.422 -12.541 1.00 0.00 C ATOM 45 C TYR A 4 -3.605 8.781 -12.925 1.00 0.00 C ATOM 46 O TYR A 4 -2.745 8.940 -12.058 1.00 0.00 O ATOM 47 CB TYR A 4 -5.115 7.007 -11.965 1.00 0.00 C ATOM 48 CG TYR A 4 -6.415 6.729 -11.237 1.00 0.00 C ATOM 49 CD1 TYR A 4 -7.555 6.322 -11.923 1.00 0.00 C ATOM 50 CD2 TYR A 4 -6.503 6.891 -9.862 1.00 0.00 C ATOM 51 CE1 TYR A 4 -8.745 6.087 -11.257 1.00 0.00 C ATOM 52 CE2 TYR A 4 -7.688 6.656 -9.188 1.00 0.00 C ATOM 53 CZ TYR A 4 -8.808 6.254 -9.890 1.00 0.00 C ATOM 54 OH TYR A 4 -9.996 6.017 -9.221 1.00 0.00 O ATOM 0 H TYR A 4 -6.052 7.709 -14.236 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.355 9.129 -11.773 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -4.997 6.285 -12.773 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.282 6.856 -11.279 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.510 6.187 -12.994 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.631 7.206 -9.308 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.621 5.774 -11.806 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.737 6.786 -8.117 1.00 0.00 H new ATOM 0 HH TYR A 4 -9.870 6.180 -8.263 1.00 0.00 H new ATOM 64 N ASP A 5 -3.358 8.918 -14.222 1.00 0.00 N ATOM 65 CA ASP A 5 -2.045 9.325 -14.721 1.00 0.00 C ATOM 66 C ASP A 5 -2.200 10.257 -15.915 1.00 0.00 C ATOM 67 O ASP A 5 -3.300 10.416 -16.449 1.00 0.00 O ATOM 68 CB ASP A 5 -1.193 8.112 -15.125 1.00 0.00 C ATOM 69 CG ASP A 5 -0.546 7.411 -13.944 1.00 0.00 C ATOM 70 OD1 ASP A 5 0.458 7.934 -13.414 1.00 0.00 O ATOM 71 OD2 ASP A 5 -1.024 6.325 -13.553 1.00 0.00 O ATOM 0 H ASP A 5 -4.051 8.753 -14.952 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.535 9.847 -13.912 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.819 7.400 -15.662 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.415 8.437 -15.816 1.00 0.00 H new ATOM 76 N GLU A 6 -1.093 10.861 -16.323 1.00 0.00 N ATOM 77 CA GLU A 6 -1.070 11.781 -17.453 1.00 0.00 C ATOM 78 C GLU A 6 0.340 11.824 -18.029 1.00 0.00 C ATOM 79 O GLU A 6 1.285 12.181 -17.324 1.00 0.00 O ATOM 80 CB GLU A 6 -1.500 13.177 -16.991 1.00 0.00 C ATOM 81 CG GLU A 6 -1.643 14.188 -18.116 1.00 0.00 C ATOM 82 CD GLU A 6 -2.047 15.559 -17.615 1.00 0.00 C ATOM 83 OE1 GLU A 6 -3.206 15.722 -17.178 1.00 0.00 O ATOM 84 OE2 GLU A 6 -1.204 16.480 -17.654 1.00 0.00 O ATOM 0 H GLU A 6 -0.184 10.727 -15.880 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.763 11.442 -18.223 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.452 13.097 -16.466 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.771 13.550 -16.272 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.698 14.265 -18.653 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.387 13.831 -18.829 1.00 0.00 H new ATOM 91 N ILE A 7 0.502 11.442 -19.291 1.00 0.00 N ATOM 92 CA ILE A 7 1.842 11.375 -19.872 1.00 0.00 C ATOM 93 C ILE A 7 1.861 11.999 -21.257 1.00 0.00 C ATOM 94 O ILE A 7 0.842 12.034 -21.938 1.00 0.00 O ATOM 95 CB ILE A 7 2.388 9.926 -19.989 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.801 8.997 -18.922 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.904 9.926 -19.880 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.520 8.319 -19.350 1.00 0.00 C ATOM 0 H ILE A 7 -0.256 11.179 -19.920 1.00 0.00 H new ATOM 0 HA ILE A 7 2.484 11.929 -19.187 1.00 0.00 H new ATOM 0 HB ILE A 7 2.084 9.548 -20.965 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.539 8.235 -18.669 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.613 9.572 -18.015 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.275 8.904 -19.963 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.326 10.532 -20.682 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.200 10.342 -18.917 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.162 7.677 -18.545 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.234 9.074 -19.575 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.707 7.717 -20.239 1.00 0.00 H new ATOM 110 N GLU A 8 3.022 12.487 -21.669 1.00 0.00 N ATOM 111 CA GLU A 8 3.170 13.077 -22.988 1.00 0.00 C ATOM 112 C GLU A 8 3.151 12.002 -24.067 1.00 0.00 C ATOM 113 O GLU A 8 3.538 10.855 -23.829 1.00 0.00 O ATOM 114 CB GLU A 8 4.466 13.884 -23.093 1.00 0.00 C ATOM 115 CG GLU A 8 4.513 15.095 -22.178 1.00 0.00 C ATOM 116 CD GLU A 8 5.710 15.981 -22.461 1.00 0.00 C ATOM 117 OE1 GLU A 8 6.825 15.647 -22.011 1.00 0.00 O ATOM 118 OE2 GLU A 8 5.540 17.018 -23.138 1.00 0.00 O ATOM 0 H GLU A 8 3.874 12.485 -21.108 1.00 0.00 H new ATOM 0 HA GLU A 8 2.326 13.750 -23.139 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.308 13.232 -22.860 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.594 14.215 -24.124 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.598 15.675 -22.298 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.546 14.763 -21.140 1.00 0.00 H new ATOM 125 N ILE A 9 2.707 12.398 -25.250 1.00 0.00 N ATOM 126 CA ILE A 9 2.627 11.518 -26.408 1.00 0.00 C ATOM 127 C ILE A 9 3.985 10.875 -26.720 1.00 0.00 C ATOM 128 O ILE A 9 4.055 9.760 -27.235 1.00 0.00 O ATOM 129 CB ILE A 9 2.096 12.309 -27.630 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.912 11.403 -28.845 1.00 0.00 C ATOM 131 CG2 ILE A 9 3.021 13.472 -27.964 1.00 0.00 C ATOM 132 CD1 ILE A 9 1.190 12.076 -29.991 1.00 0.00 C ATOM 0 H ILE A 9 2.389 13.349 -25.436 1.00 0.00 H new ATOM 0 HA ILE A 9 1.933 10.709 -26.179 1.00 0.00 H new ATOM 0 HB ILE A 9 1.118 12.710 -27.363 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.890 11.066 -29.189 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.355 10.515 -28.546 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.629 14.013 -28.825 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.082 14.145 -27.109 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.015 13.091 -28.197 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.093 11.376 -30.821 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.199 12.389 -29.663 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.757 12.948 -30.316 1.00 0.00 H new ATOM 144 N GLU A 10 5.054 11.584 -26.376 1.00 0.00 N ATOM 145 CA GLU A 10 6.420 11.120 -26.617 1.00 0.00 C ATOM 146 C GLU A 10 6.761 9.860 -25.809 1.00 0.00 C ATOM 147 O GLU A 10 7.497 8.992 -26.282 1.00 0.00 O ATOM 148 CB GLU A 10 7.408 12.240 -26.270 1.00 0.00 C ATOM 149 CG GLU A 10 8.863 11.803 -26.294 1.00 0.00 C ATOM 150 CD GLU A 10 9.806 12.888 -25.829 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.696 13.321 -24.664 1.00 0.00 O ATOM 152 OE2 GLU A 10 10.679 13.298 -26.624 1.00 0.00 O ATOM 0 H GLU A 10 5.001 12.496 -25.922 1.00 0.00 H new ATOM 0 HA GLU A 10 6.498 10.859 -27.672 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.273 13.062 -26.974 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.171 12.627 -25.279 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.985 10.925 -25.660 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.131 11.504 -27.307 1.00 0.00 H new ATOM 159 N ASP A 11 6.227 9.762 -24.599 1.00 0.00 N ATOM 160 CA ASP A 11 6.611 8.691 -23.678 1.00 0.00 C ATOM 161 C ASP A 11 5.927 7.378 -24.046 1.00 0.00 C ATOM 162 O ASP A 11 6.458 6.294 -23.794 1.00 0.00 O ATOM 163 CB ASP A 11 6.269 9.090 -22.237 1.00 0.00 C ATOM 164 CG ASP A 11 6.792 8.111 -21.197 1.00 0.00 C ATOM 165 OD1 ASP A 11 8.010 8.128 -20.919 1.00 0.00 O ATOM 166 OD2 ASP A 11 5.990 7.345 -20.628 1.00 0.00 O ATOM 0 H ASP A 11 5.529 10.407 -24.229 1.00 0.00 H new ATOM 0 HA ASP A 11 7.688 8.540 -23.758 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.682 10.078 -22.034 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.186 9.170 -22.138 1.00 0.00 H new ATOM 171 N MET A 12 4.758 7.483 -24.668 1.00 0.00 N ATOM 172 CA MET A 12 3.990 6.307 -25.048 1.00 0.00 C ATOM 173 C MET A 12 4.589 5.626 -26.275 1.00 0.00 C ATOM 174 O MET A 12 5.362 6.224 -27.025 1.00 0.00 O ATOM 175 CB MET A 12 2.531 6.681 -25.323 1.00 0.00 C ATOM 176 CG MET A 12 1.794 7.211 -24.099 1.00 0.00 C ATOM 177 SD MET A 12 0.067 7.609 -24.435 1.00 0.00 S ATOM 178 CE MET A 12 -0.594 5.993 -24.837 1.00 0.00 C ATOM 0 H MET A 12 4.323 8.371 -24.919 1.00 0.00 H new ATOM 0 HA MET A 12 4.028 5.607 -24.213 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.500 7.435 -26.109 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.005 5.804 -25.701 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.842 6.468 -23.303 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.302 8.103 -23.733 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.994 6.006 -25.851 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.199 5.248 -24.769 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.389 5.741 -24.136 1.00 0.00 H new ATOM 188 N THR A 13 4.224 4.368 -26.474 1.00 0.00 N ATOM 189 CA THR A 13 4.700 3.596 -27.605 1.00 0.00 C ATOM 190 C THR A 13 3.685 3.664 -28.748 1.00 0.00 C ATOM 191 O THR A 13 2.552 3.198 -28.616 1.00 0.00 O ATOM 192 CB THR A 13 4.930 2.128 -27.204 1.00 0.00 C ATOM 193 OG1 THR A 13 5.753 2.066 -26.027 1.00 0.00 O ATOM 194 CG2 THR A 13 5.587 1.342 -28.333 1.00 0.00 C ATOM 0 H THR A 13 3.592 3.858 -25.857 1.00 0.00 H new ATOM 0 HA THR A 13 5.648 4.020 -27.936 1.00 0.00 H new ATOM 0 HB THR A 13 3.959 1.679 -26.997 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.894 1.129 -25.776 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.736 0.309 -28.018 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.945 1.364 -29.213 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.551 1.790 -28.575 1.00 0.00 H new ATOM 202 N PHE A 14 4.088 4.256 -29.861 1.00 0.00 N ATOM 203 CA PHE A 14 3.188 4.449 -30.987 1.00 0.00 C ATOM 204 C PHE A 14 3.075 3.183 -31.827 1.00 0.00 C ATOM 205 O PHE A 14 4.062 2.490 -32.067 1.00 0.00 O ATOM 206 CB PHE A 14 3.650 5.629 -31.853 1.00 0.00 C ATOM 207 CG PHE A 14 5.032 5.481 -32.434 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.155 5.822 -31.691 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.210 5.011 -33.727 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.424 5.694 -32.227 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.474 4.881 -34.266 1.00 0.00 C ATOM 212 CZ PHE A 14 7.584 5.223 -33.515 1.00 0.00 C ATOM 0 H PHE A 14 5.033 4.611 -30.009 1.00 0.00 H new ATOM 0 HA PHE A 14 2.200 4.677 -30.588 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.940 5.763 -32.669 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.619 6.537 -31.251 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.036 6.191 -30.683 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.348 4.743 -34.320 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.289 5.962 -31.638 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.596 4.512 -35.274 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.574 5.122 -33.935 1.00 0.00 H new ATOM 222 N GLU A 15 1.858 2.883 -32.258 1.00 0.00 N ATOM 223 CA GLU A 15 1.616 1.768 -33.158 1.00 0.00 C ATOM 224 C GLU A 15 1.012 2.295 -34.457 1.00 0.00 C ATOM 225 O GLU A 15 -0.209 2.436 -34.578 1.00 0.00 O ATOM 226 CB GLU A 15 0.690 0.736 -32.504 1.00 0.00 C ATOM 227 CG GLU A 15 1.121 -0.708 -32.729 1.00 0.00 C ATOM 228 CD GLU A 15 1.118 -1.112 -34.191 1.00 0.00 C ATOM 229 OE1 GLU A 15 0.292 -0.576 -34.957 1.00 0.00 O ATOM 230 OE2 GLU A 15 1.945 -1.969 -34.578 1.00 0.00 O ATOM 0 H GLU A 15 1.019 3.401 -31.996 1.00 0.00 H new ATOM 0 HA GLU A 15 2.560 1.270 -33.379 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.646 0.929 -31.432 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.319 0.869 -32.894 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.122 -0.849 -32.322 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.455 -1.370 -32.175 1.00 0.00 H new ATOM 237 N PRO A 16 1.872 2.606 -35.440 1.00 0.00 N ATOM 238 CA PRO A 16 1.464 3.270 -36.685 1.00 0.00 C ATOM 239 C PRO A 16 0.544 2.414 -37.548 1.00 0.00 C ATOM 240 O PRO A 16 -0.296 2.937 -38.277 1.00 0.00 O ATOM 241 CB PRO A 16 2.793 3.523 -37.408 1.00 0.00 C ATOM 242 CG PRO A 16 3.736 2.518 -36.844 1.00 0.00 C ATOM 243 CD PRO A 16 3.319 2.324 -35.414 1.00 0.00 C ATOM 0 HA PRO A 16 0.888 4.173 -36.483 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.685 3.402 -38.486 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.149 4.539 -37.236 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.685 1.580 -37.397 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.766 2.869 -36.907 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.525 1.311 -35.069 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.849 3.002 -34.745 1.00 0.00 H new ATOM 251 N GLU A 17 0.686 1.101 -37.432 1.00 0.00 N ATOM 252 CA GLU A 17 -0.056 0.163 -38.270 1.00 0.00 C ATOM 253 C GLU A 17 -1.531 0.144 -37.886 1.00 0.00 C ATOM 254 O GLU A 17 -2.388 -0.242 -38.681 1.00 0.00 O ATOM 255 CB GLU A 17 0.544 -1.236 -38.134 1.00 0.00 C ATOM 256 CG GLU A 17 2.050 -1.255 -38.326 1.00 0.00 C ATOM 257 CD GLU A 17 2.649 -2.630 -38.154 1.00 0.00 C ATOM 258 OE1 GLU A 17 2.621 -3.162 -37.023 1.00 0.00 O ATOM 259 OE2 GLU A 17 3.177 -3.176 -39.144 1.00 0.00 O ATOM 0 H GLU A 17 1.313 0.657 -36.761 1.00 0.00 H new ATOM 0 HA GLU A 17 0.020 0.487 -39.308 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.304 -1.635 -37.148 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.081 -1.897 -38.867 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.288 -0.883 -39.322 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.510 -0.572 -37.612 1.00 0.00 H new ATOM 266 N ASN A 18 -1.821 0.572 -36.667 1.00 0.00 N ATOM 267 CA ASN A 18 -3.193 0.630 -36.178 1.00 0.00 C ATOM 268 C ASN A 18 -3.626 2.072 -35.968 1.00 0.00 C ATOM 269 O ASN A 18 -4.736 2.330 -35.498 1.00 0.00 O ATOM 270 CB ASN A 18 -3.336 -0.151 -34.868 1.00 0.00 C ATOM 271 CG ASN A 18 -3.208 -1.648 -35.067 1.00 0.00 C ATOM 272 OD1 ASN A 18 -4.199 -2.347 -35.276 1.00 0.00 O ATOM 273 ND2 ASN A 18 -1.986 -2.148 -35.005 1.00 0.00 N ATOM 0 H ASN A 18 -1.122 0.886 -35.994 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.837 0.174 -36.930 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.575 0.185 -34.164 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.305 0.071 -34.420 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.837 -3.149 -35.133 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.192 -1.533 -34.830 1.00 0.00 H new ATOM 280 N GLN A 19 -2.739 3.004 -36.326 1.00 0.00 N ATOM 281 CA GLN A 19 -2.993 4.438 -36.177 1.00 0.00 C ATOM 282 C GLN A 19 -3.360 4.780 -34.732 1.00 0.00 C ATOM 283 O GLN A 19 -4.289 5.555 -34.483 1.00 0.00 O ATOM 284 CB GLN A 19 -4.118 4.914 -37.113 1.00 0.00 C ATOM 285 CG GLN A 19 -3.798 4.854 -38.606 1.00 0.00 C ATOM 286 CD GLN A 19 -3.945 3.464 -39.197 1.00 0.00 C ATOM 287 OE1 GLN A 19 -5.042 3.063 -39.593 1.00 0.00 O ATOM 288 NE2 GLN A 19 -2.846 2.739 -39.309 1.00 0.00 N ATOM 0 H GLN A 19 -1.827 2.786 -36.726 1.00 0.00 H new ATOM 0 HA GLN A 19 -2.072 4.954 -36.448 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.005 4.309 -36.924 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.372 5.942 -36.854 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.457 5.539 -39.139 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.778 5.203 -38.766 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.957 3.105 -38.969 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.887 1.813 -39.735 1.00 0.00 H new ATOM 297 N MET A 20 -2.621 4.224 -33.779 1.00 0.00 N ATOM 298 CA MET A 20 -2.940 4.430 -32.378 1.00 0.00 C ATOM 299 C MET A 20 -1.676 4.460 -31.532 1.00 0.00 C ATOM 300 O MET A 20 -0.597 4.084 -31.992 1.00 0.00 O ATOM 301 CB MET A 20 -3.882 3.332 -31.875 1.00 0.00 C ATOM 302 CG MET A 20 -3.249 1.949 -31.813 1.00 0.00 C ATOM 303 SD MET A 20 -4.411 0.680 -31.269 1.00 0.00 S ATOM 304 CE MET A 20 -3.331 -0.745 -31.161 1.00 0.00 C ATOM 0 H MET A 20 -1.807 3.634 -33.951 1.00 0.00 H new ATOM 0 HA MET A 20 -3.440 5.394 -32.285 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.238 3.601 -30.881 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.755 3.291 -32.526 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.863 1.685 -32.798 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.398 1.973 -31.133 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.905 -1.613 -30.836 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.894 -0.945 -32.139 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.536 -0.545 -30.442 1.00 0.00 H new ATOM 314 N PHE A 21 -1.816 4.929 -30.303 1.00 0.00 N ATOM 315 CA PHE A 21 -0.725 4.929 -29.344 1.00 0.00 C ATOM 316 C PHE A 21 -1.032 3.957 -28.219 1.00 0.00 C ATOM 317 O PHE A 21 -2.189 3.790 -27.836 1.00 0.00 O ATOM 318 CB PHE A 21 -0.494 6.332 -28.775 1.00 0.00 C ATOM 319 CG PHE A 21 0.145 7.278 -29.750 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.615 7.935 -30.704 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.510 7.507 -29.709 1.00 0.00 C ATOM 322 CE1 PHE A 21 -0.023 8.802 -31.600 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.105 8.373 -30.603 1.00 0.00 C ATOM 324 CZ PHE A 21 1.340 9.021 -31.550 1.00 0.00 C ATOM 0 H PHE A 21 -2.687 5.319 -29.943 1.00 0.00 H new ATOM 0 HA PHE A 21 0.185 4.616 -29.857 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.449 6.746 -28.453 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.136 6.256 -27.889 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.681 7.767 -30.747 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.115 7.003 -28.970 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.625 9.309 -32.340 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.171 8.544 -30.561 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.805 9.698 -32.251 1.00 0.00 H new ATOM 334 N THR A 22 -0.005 3.310 -27.702 1.00 0.00 N ATOM 335 CA THR A 22 -0.187 2.324 -26.655 1.00 0.00 C ATOM 336 C THR A 22 0.810 2.539 -25.524 1.00 0.00 C ATOM 337 O THR A 22 1.852 3.168 -25.714 1.00 0.00 O ATOM 338 CB THR A 22 -0.051 0.892 -27.212 1.00 0.00 C ATOM 339 OG1 THR A 22 1.181 0.757 -27.931 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.216 0.559 -28.133 1.00 0.00 C ATOM 0 H THR A 22 0.963 3.450 -27.990 1.00 0.00 H new ATOM 0 HA THR A 22 -1.195 2.448 -26.259 1.00 0.00 H new ATOM 0 HB THR A 22 -0.058 0.198 -26.371 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.602 1.637 -28.026 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.100 -0.455 -28.514 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.151 0.633 -27.578 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.232 1.261 -28.967 1.00 0.00 H new ATOM 348 N TYR A 23 0.482 2.034 -24.347 1.00 0.00 N ATOM 349 CA TYR A 23 1.356 2.163 -23.197 1.00 0.00 C ATOM 350 C TYR A 23 1.346 0.867 -22.398 1.00 0.00 C ATOM 351 O TYR A 23 0.285 0.370 -22.028 1.00 0.00 O ATOM 352 CB TYR A 23 0.909 3.338 -22.322 1.00 0.00 C ATOM 353 CG TYR A 23 2.004 3.889 -21.435 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.155 4.427 -21.991 1.00 0.00 C ATOM 355 CD2 TYR A 23 1.885 3.879 -20.052 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.160 4.938 -21.197 1.00 0.00 C ATOM 357 CE2 TYR A 23 2.887 4.394 -19.246 1.00 0.00 C ATOM 358 CZ TYR A 23 4.023 4.923 -19.827 1.00 0.00 C ATOM 359 OH TYR A 23 5.027 5.444 -19.038 1.00 0.00 O ATOM 0 H TYR A 23 -0.386 1.530 -24.164 1.00 0.00 H new ATOM 0 HA TYR A 23 2.372 2.358 -23.539 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.538 4.137 -22.964 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.075 3.017 -21.698 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.266 4.446 -23.065 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.998 3.463 -19.598 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.051 5.348 -21.648 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.781 4.382 -18.171 1.00 0.00 H new ATOM 0 HH TYR A 23 5.390 6.250 -19.461 1.00 0.00 H new ATOM 369 N PRO A 24 2.534 0.292 -22.161 1.00 0.00 N ATOM 370 CA PRO A 24 2.688 -0.974 -21.432 1.00 0.00 C ATOM 371 C PRO A 24 1.962 -1.002 -20.087 1.00 0.00 C ATOM 372 O PRO A 24 2.130 -0.114 -19.246 1.00 0.00 O ATOM 373 CB PRO A 24 4.198 -1.083 -21.216 1.00 0.00 C ATOM 374 CG PRO A 24 4.803 -0.280 -22.316 1.00 0.00 C ATOM 375 CD PRO A 24 3.831 0.827 -22.615 1.00 0.00 C ATOM 0 HA PRO A 24 2.252 -1.800 -21.994 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.486 -0.695 -20.239 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.529 -2.121 -21.257 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.771 0.123 -22.016 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.974 -0.896 -23.199 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.093 1.743 -22.085 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.814 1.068 -23.678 1.00 0.00 H new ATOM 383 N CYS A 25 1.159 -2.041 -19.907 1.00 0.00 N ATOM 384 CA CYS A 25 0.431 -2.274 -18.673 1.00 0.00 C ATOM 385 C CYS A 25 0.341 -3.773 -18.429 1.00 0.00 C ATOM 386 O CYS A 25 0.103 -4.535 -19.363 1.00 0.00 O ATOM 387 CB CYS A 25 -0.975 -1.673 -18.770 1.00 0.00 C ATOM 388 SG CYS A 25 -2.085 -2.102 -17.386 1.00 0.00 S ATOM 0 H CYS A 25 0.995 -2.751 -20.621 1.00 0.00 H new ATOM 0 HA CYS A 25 0.954 -1.798 -17.844 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.888 -0.588 -18.826 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.434 -2.004 -19.702 1.00 0.00 H new ATOM 393 N PRO A 26 0.593 -4.230 -17.199 1.00 0.00 N ATOM 394 CA PRO A 26 0.409 -5.623 -16.844 1.00 0.00 C ATOM 395 C PRO A 26 -1.022 -5.906 -16.394 1.00 0.00 C ATOM 396 O PRO A 26 -1.485 -5.378 -15.377 1.00 0.00 O ATOM 397 CB PRO A 26 1.395 -5.827 -15.680 1.00 0.00 C ATOM 398 CG PRO A 26 1.969 -4.471 -15.370 1.00 0.00 C ATOM 399 CD PRO A 26 1.106 -3.460 -16.075 1.00 0.00 C ATOM 0 HA PRO A 26 0.586 -6.294 -17.685 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.888 -6.243 -14.809 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.182 -6.529 -15.956 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.975 -4.291 -14.295 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.002 -4.402 -15.711 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.305 -3.090 -15.435 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.679 -2.592 -16.403 1.00 0.00 H new ATOM 407 N CYS A 27 -1.696 -6.772 -17.140 1.00 0.00 N ATOM 408 CA CYS A 27 -3.072 -7.156 -16.849 1.00 0.00 C ATOM 409 C CYS A 27 -3.536 -8.187 -17.869 1.00 0.00 C ATOM 410 O CYS A 27 -3.979 -9.283 -17.520 1.00 0.00 O ATOM 411 CB CYS A 27 -4.003 -5.927 -16.882 1.00 0.00 C ATOM 412 SG CYS A 27 -4.139 -5.111 -18.510 1.00 0.00 S ATOM 0 H CYS A 27 -1.304 -7.228 -17.964 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.112 -7.586 -15.848 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.998 -6.234 -16.561 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.645 -5.198 -16.155 1.00 0.00 H new ATOM 417 N GLY A 28 -3.397 -7.821 -19.132 1.00 0.00 N ATOM 418 CA GLY A 28 -3.826 -8.656 -20.229 1.00 0.00 C ATOM 419 C GLY A 28 -3.787 -7.894 -21.539 1.00 0.00 C ATOM 420 O GLY A 28 -3.650 -8.485 -22.610 1.00 0.00 O ATOM 0 H GLY A 28 -2.983 -6.935 -19.421 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.183 -9.534 -20.295 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.838 -9.015 -20.043 1.00 0.00 H new ATOM 424 N ASP A 29 -3.897 -6.574 -21.442 1.00 0.00 N ATOM 425 CA ASP A 29 -3.830 -5.694 -22.604 1.00 0.00 C ATOM 426 C ASP A 29 -2.957 -4.487 -22.256 1.00 0.00 C ATOM 427 O ASP A 29 -2.482 -4.378 -21.127 1.00 0.00 O ATOM 428 CB ASP A 29 -5.236 -5.245 -23.020 1.00 0.00 C ATOM 429 CG ASP A 29 -5.317 -4.823 -24.478 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.997 -3.659 -24.796 1.00 0.00 O ATOM 431 OD2 ASP A 29 -5.711 -5.655 -25.318 1.00 0.00 O ATOM 0 H ASP A 29 -4.035 -6.084 -20.558 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.391 -6.230 -23.446 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.939 -6.059 -22.844 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.547 -4.413 -22.389 1.00 0.00 H new ATOM 436 N ARG A 30 -2.686 -3.631 -23.224 1.00 0.00 N ATOM 437 CA ARG A 30 -1.921 -2.417 -22.976 1.00 0.00 C ATOM 438 C ARG A 30 -2.759 -1.181 -23.293 1.00 0.00 C ATOM 439 O ARG A 30 -3.612 -1.227 -24.183 1.00 0.00 O ATOM 440 CB ARG A 30 -0.610 -2.416 -23.779 1.00 0.00 C ATOM 441 CG ARG A 30 -0.652 -3.153 -25.120 1.00 0.00 C ATOM 442 CD ARG A 30 -1.474 -2.433 -26.182 1.00 0.00 C ATOM 443 NE ARG A 30 -2.811 -3.005 -26.334 1.00 0.00 N ATOM 444 CZ ARG A 30 -3.215 -3.680 -27.407 1.00 0.00 C ATOM 445 NH1 ARG A 30 -2.396 -3.877 -28.432 1.00 0.00 N ATOM 446 NH2 ARG A 30 -4.440 -4.180 -27.445 1.00 0.00 N ATOM 0 H ARG A 30 -2.984 -3.752 -24.192 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.661 -2.390 -21.918 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.319 -1.382 -23.963 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.171 -2.863 -23.164 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.366 -3.283 -25.486 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.065 -4.150 -24.965 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.560 -1.379 -25.918 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.951 -2.481 -27.137 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.475 -2.879 -25.570 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.445 -3.509 -28.403 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.717 -4.396 -29.249 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.070 -4.047 -26.654 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.754 -4.698 -28.266 1.00 0.00 H new ATOM 460 N PHE A 31 -2.523 -0.090 -22.552 1.00 0.00 N ATOM 461 CA PHE A 31 -3.237 1.172 -22.769 1.00 0.00 C ATOM 462 C PHE A 31 -3.284 1.507 -24.249 1.00 0.00 C ATOM 463 O PHE A 31 -2.257 1.498 -24.922 1.00 0.00 O ATOM 464 CB PHE A 31 -2.556 2.329 -22.033 1.00 0.00 C ATOM 465 CG PHE A 31 -2.642 2.266 -20.536 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.770 2.727 -19.879 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.590 1.771 -19.789 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.847 2.690 -18.500 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.658 1.736 -18.411 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.789 2.195 -17.766 1.00 0.00 C ATOM 0 H PHE A 31 -1.840 -0.058 -21.795 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.247 1.042 -22.381 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.505 2.355 -22.321 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.001 3.266 -22.369 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.598 3.120 -20.450 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.705 1.407 -20.289 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.734 3.048 -17.998 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.828 1.350 -17.838 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.845 2.167 -16.688 1.00 0.00 H new ATOM 480 N GLN A 32 -4.467 1.796 -24.756 1.00 0.00 N ATOM 481 CA GLN A 32 -4.616 2.098 -26.163 1.00 0.00 C ATOM 482 C GLN A 32 -5.433 3.366 -26.362 1.00 0.00 C ATOM 483 O GLN A 32 -6.419 3.606 -25.665 1.00 0.00 O ATOM 484 CB GLN A 32 -5.249 0.913 -26.897 1.00 0.00 C ATOM 485 CG GLN A 32 -6.621 0.513 -26.379 1.00 0.00 C ATOM 486 CD GLN A 32 -7.188 -0.681 -27.121 1.00 0.00 C ATOM 487 OE1 GLN A 32 -7.889 -0.530 -28.122 1.00 0.00 O ATOM 488 NE2 GLN A 32 -6.878 -1.877 -26.646 1.00 0.00 N ATOM 0 H GLN A 32 -5.333 1.828 -24.217 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.627 2.272 -26.586 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.331 1.159 -27.956 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.581 0.055 -26.820 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.552 0.279 -25.317 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.304 1.357 -26.476 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.294 -1.960 -25.814 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.223 -2.716 -27.112 1.00 0.00 H new ATOM 497 N ILE A 33 -4.985 4.189 -27.297 1.00 0.00 N ATOM 498 CA ILE A 33 -5.677 5.417 -27.643 1.00 0.00 C ATOM 499 C ILE A 33 -5.576 5.661 -29.142 1.00 0.00 C ATOM 500 O ILE A 33 -4.489 5.588 -29.722 1.00 0.00 O ATOM 501 CB ILE A 33 -5.112 6.629 -26.862 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.854 7.910 -27.249 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.613 6.778 -27.095 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.445 9.114 -26.431 1.00 0.00 C ATOM 0 H ILE A 33 -4.134 4.024 -27.835 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.725 5.305 -27.364 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.268 6.451 -25.798 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.675 8.119 -28.304 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.926 7.749 -27.133 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.241 7.636 -26.535 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.101 5.876 -26.759 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.423 6.928 -28.158 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.011 9.986 -26.759 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.649 8.924 -25.377 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.380 9.301 -26.566 1.00 0.00 H new ATOM 516 N TYR A 34 -6.707 5.920 -29.772 1.00 0.00 N ATOM 517 CA TYR A 34 -6.746 6.101 -31.209 1.00 0.00 C ATOM 518 C TYR A 34 -6.443 7.549 -31.563 1.00 0.00 C ATOM 519 O TYR A 34 -6.831 8.471 -30.839 1.00 0.00 O ATOM 520 CB TYR A 34 -8.108 5.674 -31.761 1.00 0.00 C ATOM 521 CG TYR A 34 -8.513 4.277 -31.338 1.00 0.00 C ATOM 522 CD1 TYR A 34 -7.689 3.189 -31.595 1.00 0.00 C ATOM 523 CD2 TYR A 34 -9.710 4.050 -30.673 1.00 0.00 C ATOM 524 CE1 TYR A 34 -8.046 1.914 -31.198 1.00 0.00 C ATOM 525 CE2 TYR A 34 -10.077 2.777 -30.275 1.00 0.00 C ATOM 526 CZ TYR A 34 -9.240 1.712 -30.538 1.00 0.00 C ATOM 527 OH TYR A 34 -9.598 0.441 -30.139 1.00 0.00 O ATOM 0 H TYR A 34 -7.612 6.010 -29.309 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.983 5.471 -31.667 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.866 6.382 -31.426 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.083 5.724 -32.850 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.754 3.342 -32.114 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.366 4.882 -30.463 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.392 1.079 -31.404 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.014 2.618 -29.761 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.995 0.139 -29.428 1.00 0.00 H new ATOM 537 N LEU A 35 -5.743 7.742 -32.671 1.00 0.00 N ATOM 538 CA LEU A 35 -5.268 9.061 -33.061 1.00 0.00 C ATOM 539 C LEU A 35 -6.436 10.016 -33.312 1.00 0.00 C ATOM 540 O LEU A 35 -6.357 11.202 -32.981 1.00 0.00 O ATOM 541 CB LEU A 35 -4.386 8.938 -34.312 1.00 0.00 C ATOM 542 CG LEU A 35 -3.399 10.089 -34.561 1.00 0.00 C ATOM 543 CD1 LEU A 35 -4.102 11.327 -35.104 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.646 10.423 -33.284 1.00 0.00 C ATOM 0 H LEU A 35 -5.490 6.996 -33.320 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.676 9.477 -32.245 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.819 8.010 -34.242 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.036 8.850 -35.182 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.687 9.758 -35.317 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.371 12.119 -35.267 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.590 11.084 -36.048 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.849 11.665 -34.386 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.950 11.240 -33.475 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.354 10.723 -32.512 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.092 9.546 -32.948 1.00 0.00 H new ATOM 556 N ASP A 36 -7.520 9.497 -33.871 1.00 0.00 N ATOM 557 CA ASP A 36 -8.669 10.318 -34.202 1.00 0.00 C ATOM 558 C ASP A 36 -9.317 10.884 -32.940 1.00 0.00 C ATOM 559 O ASP A 36 -9.802 12.014 -32.944 1.00 0.00 O ATOM 560 CB ASP A 36 -9.671 9.510 -35.029 1.00 0.00 C ATOM 561 CG ASP A 36 -10.231 8.310 -34.295 1.00 0.00 C ATOM 562 OD1 ASP A 36 -9.451 7.395 -33.968 1.00 0.00 O ATOM 563 OD2 ASP A 36 -11.457 8.277 -34.053 1.00 0.00 O ATOM 0 H ASP A 36 -7.625 8.510 -34.104 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.334 11.164 -34.803 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.494 10.161 -35.326 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.186 9.172 -35.945 1.00 0.00 H new ATOM 568 N ASP A 37 -9.293 10.115 -31.855 1.00 0.00 N ATOM 569 CA ASP A 37 -9.775 10.603 -30.563 1.00 0.00 C ATOM 570 C ASP A 37 -8.928 11.776 -30.089 1.00 0.00 C ATOM 571 O ASP A 37 -9.450 12.791 -29.621 1.00 0.00 O ATOM 572 CB ASP A 37 -9.738 9.504 -29.497 1.00 0.00 C ATOM 573 CG ASP A 37 -10.936 8.581 -29.542 1.00 0.00 C ATOM 574 OD1 ASP A 37 -12.051 9.039 -29.218 1.00 0.00 O ATOM 575 OD2 ASP A 37 -10.764 7.391 -29.881 1.00 0.00 O ATOM 0 H ASP A 37 -8.947 9.156 -31.843 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.808 10.922 -30.704 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.830 8.915 -29.625 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.682 9.966 -28.511 1.00 0.00 H new ATOM 580 N MET A 38 -7.616 11.630 -30.231 1.00 0.00 N ATOM 581 CA MET A 38 -6.669 12.661 -29.815 1.00 0.00 C ATOM 582 C MET A 38 -6.893 13.933 -30.620 1.00 0.00 C ATOM 583 O MET A 38 -6.881 15.034 -30.077 1.00 0.00 O ATOM 584 CB MET A 38 -5.229 12.176 -30.011 1.00 0.00 C ATOM 585 CG MET A 38 -4.954 10.823 -29.378 1.00 0.00 C ATOM 586 SD MET A 38 -3.238 10.296 -29.556 1.00 0.00 S ATOM 587 CE MET A 38 -2.402 11.514 -28.546 1.00 0.00 C ATOM 0 H MET A 38 -7.180 10.801 -30.634 1.00 0.00 H new ATOM 0 HA MET A 38 -6.831 12.871 -28.758 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.015 12.119 -31.078 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.545 12.912 -29.588 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.207 10.866 -28.319 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.606 10.077 -29.832 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.531 11.060 -28.074 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.083 12.348 -29.171 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.083 11.878 -27.776 1.00 0.00 H new ATOM 597 N PHE A 39 -7.124 13.759 -31.913 1.00 0.00 N ATOM 598 CA PHE A 39 -7.335 14.879 -32.820 1.00 0.00 C ATOM 599 C PHE A 39 -8.623 15.621 -32.478 1.00 0.00 C ATOM 600 O PHE A 39 -8.719 16.835 -32.658 1.00 0.00 O ATOM 601 CB PHE A 39 -7.380 14.375 -34.269 1.00 0.00 C ATOM 602 CG PHE A 39 -7.658 15.449 -35.281 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.693 16.393 -35.589 1.00 0.00 C ATOM 604 CD2 PHE A 39 -8.885 15.515 -35.921 1.00 0.00 C ATOM 605 CE1 PHE A 39 -6.948 17.384 -36.515 1.00 0.00 C ATOM 606 CE2 PHE A 39 -9.145 16.504 -36.849 1.00 0.00 C ATOM 607 CZ PHE A 39 -8.176 17.441 -37.144 1.00 0.00 C ATOM 0 H PHE A 39 -7.170 12.844 -32.361 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.504 15.575 -32.709 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.427 13.903 -34.508 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.147 13.605 -34.351 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.731 16.353 -35.100 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.647 14.785 -35.692 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.187 18.115 -36.748 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.105 16.544 -37.343 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.378 18.218 -37.866 1.00 0.00 H new ATOM 617 N GLU A 40 -9.604 14.889 -31.967 1.00 0.00 N ATOM 618 CA GLU A 40 -10.888 15.469 -31.605 1.00 0.00 C ATOM 619 C GLU A 40 -10.805 16.256 -30.298 1.00 0.00 C ATOM 620 O GLU A 40 -11.784 16.866 -29.864 1.00 0.00 O ATOM 621 CB GLU A 40 -11.948 14.378 -31.498 1.00 0.00 C ATOM 622 CG GLU A 40 -12.380 13.818 -32.845 1.00 0.00 C ATOM 623 CD GLU A 40 -12.897 14.892 -33.783 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.041 15.350 -33.590 1.00 0.00 O ATOM 625 OE2 GLU A 40 -12.172 15.272 -34.727 1.00 0.00 O ATOM 0 H GLU A 40 -9.533 13.886 -31.793 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.170 16.167 -32.393 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.561 13.566 -30.883 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.821 14.780 -30.983 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.536 13.309 -33.311 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.158 13.070 -32.691 1.00 0.00 H new ATOM 632 N GLY A 41 -9.639 16.225 -29.670 1.00 0.00 N ATOM 633 CA GLY A 41 -9.414 17.021 -28.481 1.00 0.00 C ATOM 634 C GLY A 41 -9.437 16.202 -27.209 1.00 0.00 C ATOM 635 O GLY A 41 -8.939 16.642 -26.173 1.00 0.00 O ATOM 0 H GLY A 41 -8.842 15.661 -29.964 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.451 17.525 -28.565 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.176 17.798 -28.421 1.00 0.00 H new ATOM 639 N GLU A 42 -10.003 15.005 -27.280 1.00 0.00 N ATOM 640 CA GLU A 42 -10.109 14.154 -26.105 1.00 0.00 C ATOM 641 C GLU A 42 -8.899 13.239 -25.993 1.00 0.00 C ATOM 642 O GLU A 42 -8.846 12.174 -26.610 1.00 0.00 O ATOM 643 CB GLU A 42 -11.404 13.341 -26.134 1.00 0.00 C ATOM 644 CG GLU A 42 -12.650 14.197 -25.986 1.00 0.00 C ATOM 645 CD GLU A 42 -13.919 13.375 -25.887 1.00 0.00 C ATOM 646 OE1 GLU A 42 -14.162 12.775 -24.816 1.00 0.00 O ATOM 647 OE2 GLU A 42 -14.688 13.338 -26.871 1.00 0.00 O ATOM 0 H GLU A 42 -10.393 14.604 -28.133 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.134 14.795 -25.224 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.459 12.790 -27.073 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.380 12.603 -25.332 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.555 14.818 -25.096 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.725 14.872 -26.839 1.00 0.00 H new ATOM 654 N LYS A 43 -7.921 13.668 -25.207 1.00 0.00 N ATOM 655 CA LYS A 43 -6.687 12.921 -25.062 1.00 0.00 C ATOM 656 C LYS A 43 -6.685 12.116 -23.765 1.00 0.00 C ATOM 657 O LYS A 43 -6.432 12.641 -22.681 1.00 0.00 O ATOM 658 CB LYS A 43 -5.470 13.859 -25.115 1.00 0.00 C ATOM 659 CG LYS A 43 -5.508 15.000 -24.103 1.00 0.00 C ATOM 660 CD LYS A 43 -6.148 16.258 -24.663 1.00 0.00 C ATOM 661 CE LYS A 43 -6.216 17.353 -23.610 1.00 0.00 C ATOM 662 NZ LYS A 43 -6.625 18.658 -24.188 1.00 0.00 N ATOM 0 H LYS A 43 -7.962 14.529 -24.662 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.619 12.223 -25.897 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.567 13.272 -24.948 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.395 14.281 -26.117 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.060 14.679 -23.220 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.492 15.227 -23.779 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.576 16.610 -25.521 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.152 16.031 -25.021 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.923 17.064 -22.832 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.242 17.458 -23.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.658 19.376 -23.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.937 18.948 -24.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.566 18.566 -24.621 1.00 0.00 H new ATOM 676 N VAL A 44 -6.961 10.834 -23.898 1.00 0.00 N ATOM 677 CA VAL A 44 -6.978 9.919 -22.769 1.00 0.00 C ATOM 678 C VAL A 44 -6.970 8.480 -23.274 1.00 0.00 C ATOM 679 O VAL A 44 -7.791 8.099 -24.110 1.00 0.00 O ATOM 680 CB VAL A 44 -8.202 10.170 -21.846 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.472 10.348 -22.659 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.372 9.042 -20.835 1.00 0.00 C ATOM 0 H VAL A 44 -7.180 10.395 -24.792 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.083 10.096 -22.173 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.014 11.093 -21.297 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.313 10.522 -21.987 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.359 11.201 -23.328 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.657 9.449 -23.246 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.237 9.247 -20.204 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.523 8.100 -21.363 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.478 8.972 -20.215 1.00 0.00 H new ATOM 692 N ALA A 45 -6.033 7.693 -22.783 1.00 0.00 N ATOM 693 CA ALA A 45 -5.890 6.319 -23.228 1.00 0.00 C ATOM 694 C ALA A 45 -6.526 5.372 -22.229 1.00 0.00 C ATOM 695 O ALA A 45 -6.485 5.604 -21.018 1.00 0.00 O ATOM 696 CB ALA A 45 -4.422 5.977 -23.433 1.00 0.00 C ATOM 0 H ALA A 45 -5.358 7.981 -22.075 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.404 6.207 -24.183 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.332 4.943 -23.767 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.996 6.640 -24.186 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.884 6.103 -22.493 1.00 0.00 H new ATOM 702 N VAL A 46 -7.130 4.318 -22.742 1.00 0.00 N ATOM 703 CA VAL A 46 -7.798 3.341 -21.907 1.00 0.00 C ATOM 704 C VAL A 46 -7.167 1.977 -22.084 1.00 0.00 C ATOM 705 O VAL A 46 -6.777 1.600 -23.189 1.00 0.00 O ATOM 706 CB VAL A 46 -9.306 3.257 -22.227 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.543 2.903 -23.688 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.005 2.263 -21.310 1.00 0.00 C ATOM 0 H VAL A 46 -7.171 4.116 -23.741 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.685 3.664 -20.872 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.735 4.243 -22.049 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.615 2.852 -23.881 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.096 3.667 -24.325 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.088 1.937 -23.907 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.066 2.224 -21.557 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.565 1.275 -21.442 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.885 2.578 -20.273 1.00 0.00 H new ATOM 718 N CYS A 47 -7.028 1.260 -20.993 1.00 0.00 N ATOM 719 CA CYS A 47 -6.551 -0.094 -21.055 1.00 0.00 C ATOM 720 C CYS A 47 -7.693 -1.046 -20.732 1.00 0.00 C ATOM 721 O CYS A 47 -8.275 -0.981 -19.650 1.00 0.00 O ATOM 722 CB CYS A 47 -5.402 -0.288 -20.070 1.00 0.00 C ATOM 723 SG CYS A 47 -4.414 -1.794 -20.333 1.00 0.00 S ATOM 0 H CYS A 47 -7.240 1.596 -20.053 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.184 -0.305 -22.059 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.742 0.577 -20.129 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.809 -0.310 -19.059 1.00 0.00 H new ATOM 728 N PRO A 48 -8.065 -1.908 -21.682 1.00 0.00 N ATOM 729 CA PRO A 48 -9.117 -2.894 -21.474 1.00 0.00 C ATOM 730 C PRO A 48 -8.686 -4.002 -20.514 1.00 0.00 C ATOM 731 O PRO A 48 -7.494 -4.229 -20.316 1.00 0.00 O ATOM 732 CB PRO A 48 -9.381 -3.453 -22.873 1.00 0.00 C ATOM 733 CG PRO A 48 -8.129 -3.204 -23.637 1.00 0.00 C ATOM 734 CD PRO A 48 -7.489 -1.983 -23.034 1.00 0.00 C ATOM 0 HA PRO A 48 -10.003 -2.453 -21.017 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.613 -4.517 -22.834 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.232 -2.958 -23.340 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.460 -4.062 -23.574 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.346 -3.045 -24.693 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.404 -2.077 -23.000 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.714 -1.088 -23.613 1.00 0.00 H new ATOM 742 N SER A 49 -9.676 -4.646 -19.893 1.00 0.00 N ATOM 743 CA SER A 49 -9.470 -5.772 -18.979 1.00 0.00 C ATOM 744 C SER A 49 -9.193 -5.272 -17.561 1.00 0.00 C ATOM 745 O SER A 49 -9.880 -5.671 -16.619 1.00 0.00 O ATOM 746 CB SER A 49 -8.359 -6.718 -19.468 1.00 0.00 C ATOM 747 OG SER A 49 -8.484 -8.007 -18.887 1.00 0.00 O ATOM 0 H SER A 49 -10.658 -4.397 -20.012 1.00 0.00 H new ATOM 0 HA SER A 49 -10.392 -6.354 -18.962 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.401 -6.801 -20.554 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.385 -6.298 -19.218 1.00 0.00 H new ATOM 0 HG SER A 49 -7.766 -8.586 -19.218 1.00 0.00 H new ATOM 753 N CYS A 50 -8.210 -4.391 -17.399 1.00 0.00 N ATOM 754 CA CYS A 50 -7.967 -3.781 -16.100 1.00 0.00 C ATOM 755 C CYS A 50 -8.805 -2.510 -15.977 1.00 0.00 C ATOM 756 O CYS A 50 -9.198 -2.108 -14.880 1.00 0.00 O ATOM 757 CB CYS A 50 -6.477 -3.474 -15.901 1.00 0.00 C ATOM 758 SG CYS A 50 -5.850 -2.091 -16.898 1.00 0.00 S ATOM 0 H CYS A 50 -7.578 -4.088 -18.140 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.260 -4.483 -15.319 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.302 -3.254 -14.848 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.900 -4.368 -16.140 1.00 0.00 H new ATOM 763 N SER A 51 -9.075 -1.897 -17.131 1.00 0.00 N ATOM 764 CA SER A 51 -9.957 -0.742 -17.234 1.00 0.00 C ATOM 765 C SER A 51 -9.359 0.479 -16.539 1.00 0.00 C ATOM 766 O SER A 51 -9.991 1.098 -15.678 1.00 0.00 O ATOM 767 CB SER A 51 -11.342 -1.079 -16.674 1.00 0.00 C ATOM 768 OG SER A 51 -11.917 -2.174 -17.375 1.00 0.00 O ATOM 0 H SER A 51 -8.683 -2.193 -18.025 1.00 0.00 H new ATOM 0 HA SER A 51 -10.067 -0.490 -18.289 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.262 -1.322 -15.614 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.993 -0.208 -16.753 1.00 0.00 H new ATOM 0 HG SER A 51 -12.800 -2.374 -17.001 1.00 0.00 H new ATOM 774 N LEU A 52 -8.140 0.831 -16.931 1.00 0.00 N ATOM 775 CA LEU A 52 -7.466 1.989 -16.382 1.00 0.00 C ATOM 776 C LEU A 52 -7.363 3.059 -17.464 1.00 0.00 C ATOM 777 O LEU A 52 -7.067 2.761 -18.621 1.00 0.00 O ATOM 778 CB LEU A 52 -6.075 1.587 -15.870 1.00 0.00 C ATOM 779 CG LEU A 52 -5.553 2.358 -14.645 1.00 0.00 C ATOM 780 CD1 LEU A 52 -4.281 1.711 -14.121 1.00 0.00 C ATOM 781 CD2 LEU A 52 -5.290 3.819 -14.979 1.00 0.00 C ATOM 0 H LEU A 52 -7.600 0.324 -17.632 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.032 2.390 -15.541 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.094 0.525 -15.624 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.361 1.713 -16.684 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.323 2.320 -13.874 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.921 2.265 -13.254 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.489 0.681 -13.832 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.519 1.722 -14.901 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.922 4.335 -14.092 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.544 3.883 -15.771 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.215 4.288 -15.314 1.00 0.00 H new ATOM 793 N MET A 53 -7.639 4.294 -17.089 1.00 0.00 N ATOM 794 CA MET A 53 -7.605 5.409 -18.028 1.00 0.00 C ATOM 795 C MET A 53 -6.658 6.496 -17.540 1.00 0.00 C ATOM 796 O MET A 53 -6.627 6.818 -16.348 1.00 0.00 O ATOM 797 CB MET A 53 -9.009 5.985 -18.206 1.00 0.00 C ATOM 798 CG MET A 53 -9.997 5.004 -18.816 1.00 0.00 C ATOM 799 SD MET A 53 -11.713 5.483 -18.534 1.00 0.00 S ATOM 800 CE MET A 53 -11.770 5.420 -16.743 1.00 0.00 C ATOM 0 H MET A 53 -7.891 4.555 -16.136 1.00 0.00 H new ATOM 0 HA MET A 53 -7.243 5.040 -18.987 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.385 6.310 -17.236 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.952 6.871 -18.839 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.816 4.931 -19.888 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.826 4.013 -18.395 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.773 5.142 -16.420 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.055 4.681 -16.382 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.516 6.399 -16.336 1.00 0.00 H new ATOM 810 N ILE A 54 -5.877 7.054 -18.456 1.00 0.00 N ATOM 811 CA ILE A 54 -4.942 8.123 -18.123 1.00 0.00 C ATOM 812 C ILE A 54 -4.938 9.169 -19.235 1.00 0.00 C ATOM 813 O ILE A 54 -5.247 8.855 -20.384 1.00 0.00 O ATOM 814 CB ILE A 54 -3.488 7.607 -17.893 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.747 7.358 -19.218 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.486 6.339 -17.048 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.345 6.271 -20.080 1.00 0.00 C ATOM 0 H ILE A 54 -5.872 6.783 -19.439 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.282 8.562 -17.185 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.956 8.392 -17.355 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.729 8.287 -19.788 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.712 7.099 -18.997 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.460 6.000 -16.903 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.940 6.547 -16.079 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.056 5.562 -17.557 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.758 6.166 -20.992 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.338 5.328 -19.533 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.371 6.534 -20.337 1.00 0.00 H new ATOM 829 N ASP A 55 -4.599 10.401 -18.897 1.00 0.00 N ATOM 830 CA ASP A 55 -4.561 11.468 -19.888 1.00 0.00 C ATOM 831 C ASP A 55 -3.254 11.432 -20.658 1.00 0.00 C ATOM 832 O ASP A 55 -2.264 10.858 -20.197 1.00 0.00 O ATOM 833 CB ASP A 55 -4.708 12.841 -19.238 1.00 0.00 C ATOM 834 CG ASP A 55 -6.110 13.141 -18.760 1.00 0.00 C ATOM 835 OD1 ASP A 55 -7.056 13.045 -19.565 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.265 13.520 -17.579 1.00 0.00 O ATOM 0 H ASP A 55 -4.347 10.688 -17.951 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.398 11.305 -20.567 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.023 12.908 -18.392 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.406 13.606 -19.954 1.00 0.00 H new ATOM 841 N VAL A 56 -3.254 12.049 -21.826 1.00 0.00 N ATOM 842 CA VAL A 56 -2.058 12.117 -22.655 1.00 0.00 C ATOM 843 C VAL A 56 -1.817 13.559 -23.114 1.00 0.00 C ATOM 844 O VAL A 56 -2.761 14.303 -23.353 1.00 0.00 O ATOM 845 CB VAL A 56 -2.184 11.194 -23.888 1.00 0.00 C ATOM 846 CG1 VAL A 56 -0.916 11.210 -24.727 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.538 9.773 -23.475 1.00 0.00 C ATOM 0 H VAL A 56 -4.070 12.512 -22.225 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.212 11.780 -22.055 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.996 11.582 -24.503 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.040 10.550 -25.586 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.722 12.225 -25.074 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.076 10.866 -24.123 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.620 9.146 -24.363 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.759 9.379 -22.823 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.489 9.775 -22.943 1.00 0.00 H new ATOM 857 N VAL A 57 -0.558 13.956 -23.206 1.00 0.00 N ATOM 858 CA VAL A 57 -0.210 15.296 -23.659 1.00 0.00 C ATOM 859 C VAL A 57 0.361 15.253 -25.075 1.00 0.00 C ATOM 860 O VAL A 57 1.476 14.774 -25.288 1.00 0.00 O ATOM 861 CB VAL A 57 0.814 15.960 -22.714 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.093 17.392 -23.146 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.320 15.918 -21.273 1.00 0.00 C ATOM 0 H VAL A 57 0.243 13.369 -22.973 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.124 15.889 -23.655 1.00 0.00 H new ATOM 0 HB VAL A 57 1.747 15.399 -22.771 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.817 17.842 -22.467 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.495 17.395 -24.159 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.167 17.966 -23.122 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.056 16.391 -20.622 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.627 16.452 -21.197 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.178 14.881 -20.967 1.00 0.00 H new ATOM 873 N PHE A 58 -0.406 15.743 -26.039 1.00 0.00 N ATOM 874 CA PHE A 58 0.011 15.713 -27.437 1.00 0.00 C ATOM 875 C PHE A 58 0.260 17.121 -27.964 1.00 0.00 C ATOM 876 O PHE A 58 -0.142 18.105 -27.341 1.00 0.00 O ATOM 877 CB PHE A 58 -1.041 15.009 -28.306 1.00 0.00 C ATOM 878 CG PHE A 58 -2.346 15.756 -28.435 1.00 0.00 C ATOM 879 CD1 PHE A 58 -2.513 16.720 -29.418 1.00 0.00 C ATOM 880 CD2 PHE A 58 -3.399 15.494 -27.577 1.00 0.00 C ATOM 881 CE1 PHE A 58 -3.706 17.408 -29.540 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.594 16.179 -27.694 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.746 17.138 -28.676 1.00 0.00 C ATOM 0 H PHE A 58 -1.320 16.166 -25.880 1.00 0.00 H new ATOM 0 HA PHE A 58 0.944 15.152 -27.490 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.626 14.853 -29.302 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.241 14.023 -27.886 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.701 16.936 -30.097 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.286 14.745 -26.807 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.823 18.156 -30.311 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.408 15.964 -27.018 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.678 17.676 -28.767 1.00 0.00 H new ATOM 893 N ASP A 59 0.926 17.213 -29.109 1.00 0.00 N ATOM 894 CA ASP A 59 1.137 18.496 -29.757 1.00 0.00 C ATOM 895 C ASP A 59 0.678 18.436 -31.201 1.00 0.00 C ATOM 896 O ASP A 59 0.393 17.365 -31.736 1.00 0.00 O ATOM 897 CB ASP A 59 2.608 18.911 -29.721 1.00 0.00 C ATOM 898 CG ASP A 59 2.771 20.418 -29.684 1.00 0.00 C ATOM 899 OD1 ASP A 59 2.552 21.072 -30.733 1.00 0.00 O ATOM 900 OD2 ASP A 59 3.104 20.957 -28.607 1.00 0.00 O ATOM 0 H ASP A 59 1.327 16.416 -29.604 1.00 0.00 H new ATOM 0 HA ASP A 59 0.553 19.235 -29.209 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.087 18.473 -28.846 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.119 18.512 -30.597 1.00 0.00 H new ATOM 905 N LYS A 60 0.646 19.598 -31.822 1.00 0.00 N ATOM 906 CA LYS A 60 0.234 19.746 -33.205 1.00 0.00 C ATOM 907 C LYS A 60 1.198 19.004 -34.117 1.00 0.00 C ATOM 908 O LYS A 60 0.793 18.262 -35.012 1.00 0.00 O ATOM 909 CB LYS A 60 0.243 21.228 -33.566 1.00 0.00 C ATOM 910 CG LYS A 60 -0.445 22.104 -32.534 1.00 0.00 C ATOM 911 CD LYS A 60 -0.143 23.576 -32.758 1.00 0.00 C ATOM 912 CE LYS A 60 1.355 23.862 -32.742 1.00 0.00 C ATOM 913 NZ LYS A 60 1.975 23.567 -31.420 1.00 0.00 N ATOM 0 H LYS A 60 0.908 20.477 -31.376 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.767 19.333 -33.332 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.275 21.560 -33.683 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.247 21.362 -34.530 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.522 21.942 -32.579 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.120 21.813 -31.535 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.562 23.890 -33.714 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.633 24.168 -31.985 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.844 23.265 -33.511 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.525 24.909 -32.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.969 23.872 -31.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.462 24.078 -30.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.928 22.545 -31.235 1.00 0.00 H new ATOM 927 N GLU A 61 2.481 19.209 -33.859 1.00 0.00 N ATOM 928 CA GLU A 61 3.533 18.645 -34.687 1.00 0.00 C ATOM 929 C GLU A 61 3.658 17.146 -34.460 1.00 0.00 C ATOM 930 O GLU A 61 3.888 16.387 -35.400 1.00 0.00 O ATOM 931 CB GLU A 61 4.857 19.338 -34.388 1.00 0.00 C ATOM 932 CG GLU A 61 4.852 20.814 -34.736 1.00 0.00 C ATOM 933 CD GLU A 61 6.082 21.530 -34.234 1.00 0.00 C ATOM 934 OE1 GLU A 61 7.184 21.262 -34.749 1.00 0.00 O ATOM 935 OE2 GLU A 61 5.953 22.351 -33.310 1.00 0.00 O ATOM 0 H GLU A 61 2.819 19.767 -33.075 1.00 0.00 H new ATOM 0 HA GLU A 61 3.274 18.808 -35.733 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.089 19.222 -33.329 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.652 18.843 -34.945 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.785 20.929 -35.818 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.964 21.281 -34.310 1.00 0.00 H new ATOM 942 N ASP A 62 3.483 16.722 -33.211 1.00 0.00 N ATOM 943 CA ASP A 62 3.566 15.306 -32.882 1.00 0.00 C ATOM 944 C ASP A 62 2.461 14.523 -33.581 1.00 0.00 C ATOM 945 O ASP A 62 2.648 13.365 -33.947 1.00 0.00 O ATOM 946 CB ASP A 62 3.505 15.091 -31.368 1.00 0.00 C ATOM 947 CG ASP A 62 4.762 15.575 -30.670 1.00 0.00 C ATOM 948 OD1 ASP A 62 5.832 14.966 -30.874 1.00 0.00 O ATOM 949 OD2 ASP A 62 4.692 16.571 -29.918 1.00 0.00 O ATOM 0 H ASP A 62 3.285 17.333 -32.419 1.00 0.00 H new ATOM 0 HA ASP A 62 4.527 14.934 -33.238 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.641 15.617 -30.962 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.360 14.031 -31.159 1.00 0.00 H new ATOM 954 N LEU A 63 1.316 15.167 -33.787 1.00 0.00 N ATOM 955 CA LEU A 63 0.229 14.550 -34.534 1.00 0.00 C ATOM 956 C LEU A 63 0.539 14.545 -36.027 1.00 0.00 C ATOM 957 O LEU A 63 0.350 13.534 -36.702 1.00 0.00 O ATOM 958 CB LEU A 63 -1.093 15.283 -34.290 1.00 0.00 C ATOM 959 CG LEU A 63 -1.619 15.245 -32.853 1.00 0.00 C ATOM 960 CD1 LEU A 63 -2.993 15.893 -32.783 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.676 13.813 -32.340 1.00 0.00 C ATOM 0 H LEU A 63 1.119 16.109 -33.449 1.00 0.00 H new ATOM 0 HA LEU A 63 0.130 13.523 -34.184 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.969 16.325 -34.584 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.851 14.855 -34.946 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.935 15.806 -32.216 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.359 15.861 -31.757 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.923 16.930 -33.111 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.683 15.353 -33.431 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.052 13.808 -31.317 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.340 13.226 -32.974 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.676 13.379 -32.361 1.00 0.00 H new ATOM 973 N ALA A 64 1.018 15.681 -36.531 1.00 0.00 N ATOM 974 CA ALA A 64 1.321 15.832 -37.952 1.00 0.00 C ATOM 975 C ALA A 64 2.373 14.828 -38.411 1.00 0.00 C ATOM 976 O ALA A 64 2.186 14.128 -39.409 1.00 0.00 O ATOM 977 CB ALA A 64 1.779 17.254 -38.244 1.00 0.00 C ATOM 0 H ALA A 64 1.205 16.514 -35.973 1.00 0.00 H new ATOM 0 HA ALA A 64 0.408 15.631 -38.512 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.002 17.354 -39.306 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.989 17.954 -37.972 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.675 17.474 -37.663 1.00 0.00 H new ATOM 983 N GLU A 65 3.471 14.749 -37.670 1.00 0.00 N ATOM 984 CA GLU A 65 4.553 13.842 -38.006 1.00 0.00 C ATOM 985 C GLU A 65 4.097 12.389 -37.931 1.00 0.00 C ATOM 986 O GLU A 65 4.450 11.574 -38.785 1.00 0.00 O ATOM 987 CB GLU A 65 5.742 14.071 -37.077 1.00 0.00 C ATOM 988 CG GLU A 65 6.853 14.910 -37.690 1.00 0.00 C ATOM 989 CD GLU A 65 6.396 16.287 -38.132 1.00 0.00 C ATOM 990 OE1 GLU A 65 5.796 16.394 -39.219 1.00 0.00 O ATOM 991 OE2 GLU A 65 6.660 17.272 -37.404 1.00 0.00 O ATOM 0 H GLU A 65 3.633 15.305 -36.831 1.00 0.00 H new ATOM 0 HA GLU A 65 4.859 14.047 -39.032 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.391 14.560 -36.168 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.151 13.105 -36.782 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.659 15.019 -36.964 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.267 14.380 -38.548 1.00 0.00 H new ATOM 998 N TYR A 66 3.297 12.074 -36.919 1.00 0.00 N ATOM 999 CA TYR A 66 2.796 10.717 -36.744 1.00 0.00 C ATOM 1000 C TYR A 66 1.798 10.364 -37.842 1.00 0.00 C ATOM 1001 O TYR A 66 1.781 9.237 -38.332 1.00 0.00 O ATOM 1002 CB TYR A 66 2.150 10.549 -35.366 1.00 0.00 C ATOM 1003 CG TYR A 66 1.573 9.169 -35.135 1.00 0.00 C ATOM 1004 CD1 TYR A 66 2.398 8.082 -34.862 1.00 0.00 C ATOM 1005 CD2 TYR A 66 0.204 8.951 -35.204 1.00 0.00 C ATOM 1006 CE1 TYR A 66 1.870 6.820 -34.661 1.00 0.00 C ATOM 1007 CE2 TYR A 66 -0.328 7.692 -35.006 1.00 0.00 C ATOM 1008 CZ TYR A 66 0.509 6.632 -34.735 1.00 0.00 C ATOM 1009 OH TYR A 66 -0.021 5.378 -34.538 1.00 0.00 O ATOM 0 H TYR A 66 2.983 12.737 -36.210 1.00 0.00 H new ATOM 0 HA TYR A 66 3.643 10.034 -36.813 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.894 10.757 -34.597 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.358 11.289 -35.252 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.467 8.226 -34.806 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.456 9.779 -35.416 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.522 5.986 -34.447 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.396 7.539 -35.063 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.090 5.199 -33.577 1.00 0.00 H new ATOM 1019 N TYR A 67 0.977 11.331 -38.228 1.00 0.00 N ATOM 1020 CA TYR A 67 0.001 11.136 -39.296 1.00 0.00 C ATOM 1021 C TYR A 67 0.689 10.699 -40.585 1.00 0.00 C ATOM 1022 O TYR A 67 0.253 9.756 -41.245 1.00 0.00 O ATOM 1023 CB TYR A 67 -0.818 12.425 -39.488 1.00 0.00 C ATOM 1024 CG TYR A 67 -1.055 12.852 -40.929 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -1.910 12.144 -41.769 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -0.420 13.977 -41.440 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -2.117 12.544 -43.077 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -0.623 14.382 -42.744 1.00 0.00 C ATOM 1029 CZ TYR A 67 -1.470 13.664 -43.559 1.00 0.00 C ATOM 1030 OH TYR A 67 -1.664 14.066 -44.861 1.00 0.00 O ATOM 0 H TYR A 67 0.966 12.264 -37.816 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.685 10.336 -39.018 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.786 12.293 -39.004 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.310 13.237 -38.968 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.420 11.269 -41.394 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.244 14.545 -40.806 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.781 11.983 -43.718 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.119 15.259 -43.124 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.135 14.872 -45.037 1.00 0.00 H new ATOM 1040 N GLU A 68 1.782 11.368 -40.918 1.00 0.00 N ATOM 1041 CA GLU A 68 2.519 11.060 -42.135 1.00 0.00 C ATOM 1042 C GLU A 68 3.355 9.789 -41.980 1.00 0.00 C ATOM 1043 O GLU A 68 3.664 9.121 -42.962 1.00 0.00 O ATOM 1044 CB GLU A 68 3.407 12.238 -42.543 1.00 0.00 C ATOM 1045 CG GLU A 68 2.620 13.485 -42.913 1.00 0.00 C ATOM 1046 CD GLU A 68 3.489 14.595 -43.470 1.00 0.00 C ATOM 1047 OE1 GLU A 68 3.848 14.529 -44.662 1.00 0.00 O ATOM 1048 OE2 GLU A 68 3.812 15.545 -42.723 1.00 0.00 O ATOM 0 H GLU A 68 2.178 12.127 -40.364 1.00 0.00 H new ATOM 0 HA GLU A 68 1.789 10.883 -42.925 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.084 12.475 -41.722 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.025 11.942 -43.391 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.860 13.222 -43.649 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.095 13.851 -42.031 1.00 0.00 H new ATOM 1055 N GLU A 69 3.729 9.463 -40.748 1.00 0.00 N ATOM 1056 CA GLU A 69 4.502 8.250 -40.484 1.00 0.00 C ATOM 1057 C GLU A 69 3.616 7.011 -40.471 1.00 0.00 C ATOM 1058 O GLU A 69 4.000 5.956 -40.981 1.00 0.00 O ATOM 1059 CB GLU A 69 5.248 8.364 -39.154 1.00 0.00 C ATOM 1060 CG GLU A 69 6.670 8.884 -39.292 1.00 0.00 C ATOM 1061 CD GLU A 69 7.542 7.959 -40.119 1.00 0.00 C ATOM 1062 OE1 GLU A 69 7.902 6.869 -39.624 1.00 0.00 O ATOM 1063 OE2 GLU A 69 7.861 8.310 -41.275 1.00 0.00 O ATOM 0 H GLU A 69 3.512 10.016 -39.919 1.00 0.00 H new ATOM 0 HA GLU A 69 5.224 8.145 -41.294 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.691 9.027 -38.491 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.274 7.384 -38.677 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.651 9.871 -39.754 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.109 9.004 -38.301 1.00 0.00 H new ATOM 1070 N ALA A 70 2.437 7.138 -39.881 1.00 0.00 N ATOM 1071 CA ALA A 70 1.524 6.013 -39.760 1.00 0.00 C ATOM 1072 C ALA A 70 0.698 5.829 -41.025 1.00 0.00 C ATOM 1073 O ALA A 70 0.271 4.720 -41.335 1.00 0.00 O ATOM 1074 CB ALA A 70 0.606 6.213 -38.565 1.00 0.00 C ATOM 0 H ALA A 70 2.091 8.009 -39.479 1.00 0.00 H new ATOM 0 HA ALA A 70 2.120 5.112 -39.613 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.074 5.365 -38.483 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.203 6.289 -37.656 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.030 7.129 -38.698 1.00 0.00 H new ATOM 1080 N GLY A 71 0.498 6.914 -41.763 1.00 0.00 N ATOM 1081 CA GLY A 71 -0.347 6.855 -42.939 1.00 0.00 C ATOM 1082 C GLY A 71 -1.802 6.874 -42.545 1.00 0.00 C ATOM 1083 O GLY A 71 -2.579 5.992 -42.918 1.00 0.00 O ATOM 0 H GLY A 71 0.904 7.829 -41.569 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.130 7.700 -43.593 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.129 5.950 -43.505 1.00 0.00 H new ATOM 1087 N ILE A 72 -2.160 7.880 -41.769 1.00 0.00 N ATOM 1088 CA ILE A 72 -3.490 7.968 -41.189 1.00 0.00 C ATOM 1089 C ILE A 72 -4.478 8.572 -42.177 1.00 0.00 C ATOM 1090 O ILE A 72 -4.116 9.455 -42.959 1.00 0.00 O ATOM 1091 CB ILE A 72 -3.467 8.813 -39.897 1.00 0.00 C ATOM 1092 CG1 ILE A 72 -2.418 8.261 -38.933 1.00 0.00 C ATOM 1093 CG2 ILE A 72 -4.837 8.832 -39.234 1.00 0.00 C ATOM 1094 CD1 ILE A 72 -2.299 9.049 -37.652 1.00 0.00 C ATOM 0 H ILE A 72 -1.543 8.655 -41.523 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.812 6.955 -40.947 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.206 9.838 -40.160 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.667 7.227 -38.692 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.449 8.248 -39.433 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.794 9.434 -38.326 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.567 9.262 -39.920 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.133 7.814 -38.981 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.536 8.599 -37.017 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.020 10.077 -37.882 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.256 9.041 -37.130 1.00 0.00 H new ATOM 1106 N HIS A 73 -5.715 8.075 -42.149 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.781 8.606 -42.987 1.00 0.00 C ATOM 1108 C HIS A 73 -6.881 10.118 -42.800 1.00 0.00 C ATOM 1109 O HIS A 73 -7.079 10.587 -41.676 1.00 0.00 O ATOM 1110 CB HIS A 73 -8.116 7.936 -42.638 1.00 0.00 C ATOM 1111 CG HIS A 73 -9.227 8.251 -43.596 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -9.532 7.454 -44.676 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -10.114 9.275 -43.626 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -10.554 7.972 -45.331 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -10.928 9.075 -44.713 1.00 0.00 N ATOM 0 H HIS A 73 -6.001 7.301 -41.550 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.551 8.393 -44.031 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.972 6.856 -42.608 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -8.415 8.246 -41.637 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -10.170 10.095 -42.926 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -11.007 7.562 -46.222 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -11.698 9.681 -44.997 1.00 0.00 H new ATOM 1124 N PRO A 74 -6.747 10.877 -43.908 1.00 0.00 N ATOM 1125 CA PRO A 74 -6.640 12.342 -43.920 1.00 0.00 C ATOM 1126 C PRO A 74 -7.459 13.048 -42.841 1.00 0.00 C ATOM 1127 O PRO A 74 -8.692 13.092 -42.901 1.00 0.00 O ATOM 1128 CB PRO A 74 -7.152 12.732 -45.316 1.00 0.00 C ATOM 1129 CG PRO A 74 -7.392 11.445 -46.050 1.00 0.00 C ATOM 1130 CD PRO A 74 -6.694 10.365 -45.274 1.00 0.00 C ATOM 0 HA PRO A 74 -5.615 12.648 -43.709 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -8.070 13.316 -45.245 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.422 13.348 -45.840 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.459 11.237 -46.127 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -7.004 11.502 -47.067 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.201 9.405 -45.368 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.669 10.219 -45.614 1.00 0.00 H new ATOM 1138 N PRO A 75 -6.768 13.576 -41.822 1.00 0.00 N ATOM 1139 CA PRO A 75 -7.361 14.418 -40.792 1.00 0.00 C ATOM 1140 C PRO A 75 -7.506 15.853 -41.284 1.00 0.00 C ATOM 1141 O PRO A 75 -6.906 16.230 -42.291 1.00 0.00 O ATOM 1142 CB PRO A 75 -6.358 14.346 -39.626 1.00 0.00 C ATOM 1143 CG PRO A 75 -5.264 13.428 -40.078 1.00 0.00 C ATOM 1144 CD PRO A 75 -5.338 13.383 -41.577 1.00 0.00 C ATOM 0 HA PRO A 75 -8.361 14.089 -40.509 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.965 15.334 -39.388 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -6.836 13.968 -38.723 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.291 13.792 -39.748 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.392 12.432 -39.653 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.737 14.167 -42.038 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.982 12.432 -41.974 1.00 0.00 H new ATOM 1152 N GLU A 76 -8.295 16.649 -40.580 1.00 0.00 N ATOM 1153 CA GLU A 76 -8.516 18.028 -40.981 1.00 0.00 C ATOM 1154 C GLU A 76 -7.270 18.857 -40.691 1.00 0.00 C ATOM 1155 O GLU A 76 -6.523 18.554 -39.760 1.00 0.00 O ATOM 1156 CB GLU A 76 -9.714 18.614 -40.233 1.00 0.00 C ATOM 1157 CG GLU A 76 -10.973 17.772 -40.335 1.00 0.00 C ATOM 1158 CD GLU A 76 -12.175 18.457 -39.722 1.00 0.00 C ATOM 1159 OE1 GLU A 76 -12.316 18.437 -38.479 1.00 0.00 O ATOM 1160 OE2 GLU A 76 -12.982 19.026 -40.482 1.00 0.00 O ATOM 0 H GLU A 76 -8.790 16.366 -39.734 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.724 18.053 -42.051 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.451 18.732 -39.182 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.922 19.610 -40.623 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.177 17.554 -41.383 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.809 16.816 -39.837 1.00 0.00 H new ATOM 1167 N PRO A 77 -7.015 19.897 -41.499 1.00 0.00 N ATOM 1168 CA PRO A 77 -5.838 20.747 -41.337 1.00 0.00 C ATOM 1169 C PRO A 77 -5.759 21.372 -39.951 1.00 0.00 C ATOM 1170 O PRO A 77 -6.762 21.838 -39.403 1.00 0.00 O ATOM 1171 CB PRO A 77 -6.006 21.834 -42.399 1.00 0.00 C ATOM 1172 CG PRO A 77 -7.434 21.756 -42.820 1.00 0.00 C ATOM 1173 CD PRO A 77 -7.847 20.326 -42.628 1.00 0.00 C ATOM 0 HA PRO A 77 -4.918 20.172 -41.449 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.768 22.818 -41.995 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.337 21.666 -43.243 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.054 22.424 -42.222 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.551 22.059 -43.861 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.910 20.239 -42.403 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.659 19.727 -43.519 1.00 0.00 H new ATOM 1181 N ILE A 78 -4.559 21.386 -39.404 1.00 0.00 N ATOM 1182 CA ILE A 78 -4.337 21.868 -38.053 1.00 0.00 C ATOM 1183 C ILE A 78 -3.759 23.271 -38.068 1.00 0.00 C ATOM 1184 O ILE A 78 -3.377 23.785 -39.120 1.00 0.00 O ATOM 1185 CB ILE A 78 -3.369 20.947 -37.279 1.00 0.00 C ATOM 1186 CG1 ILE A 78 -2.024 20.853 -38.013 1.00 0.00 C ATOM 1187 CG2 ILE A 78 -3.984 19.564 -37.092 1.00 0.00 C ATOM 1188 CD1 ILE A 78 -0.959 20.102 -37.248 1.00 0.00 C ATOM 0 H ILE A 78 -3.715 21.066 -39.879 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.306 21.872 -37.555 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.192 21.375 -36.292 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.180 20.364 -38.975 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.665 21.860 -38.222 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -3.289 18.928 -36.545 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.914 19.652 -36.530 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.190 19.122 -38.067 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.039 20.079 -37.832 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.773 20.602 -36.298 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.296 19.082 -37.061 1.00 0.00 H new ATOM 1200 N ALA A 79 -3.682 23.884 -36.898 1.00 0.00 N ATOM 1201 CA ALA A 79 -3.090 25.204 -36.771 1.00 0.00 C ATOM 1202 C ALA A 79 -1.567 25.098 -36.725 1.00 0.00 C ATOM 1203 O ALA A 79 -0.966 25.040 -35.652 1.00 0.00 O ATOM 1204 CB ALA A 79 -3.619 25.914 -35.531 1.00 0.00 C ATOM 0 H ALA A 79 -4.023 23.487 -36.022 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.369 25.795 -37.643 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.163 26.901 -35.455 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.701 26.019 -35.606 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.372 25.330 -34.644 1.00 0.00 H new ATOM 1210 N ALA A 80 -0.959 25.020 -37.898 1.00 0.00 N ATOM 1211 CA ALA A 80 0.487 24.959 -38.015 1.00 0.00 C ATOM 1212 C ALA A 80 0.950 25.743 -39.234 1.00 0.00 C ATOM 1213 O ALA A 80 1.051 25.200 -40.336 1.00 0.00 O ATOM 1214 CB ALA A 80 0.961 23.514 -38.089 1.00 0.00 C ATOM 0 H ALA A 80 -1.452 24.997 -38.791 1.00 0.00 H new ATOM 0 HA ALA A 80 0.926 25.412 -37.126 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.047 23.491 -38.176 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.659 22.985 -37.185 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.517 23.030 -38.959 1.00 0.00 H new ATOM 1220 N ALA A 81 1.197 27.027 -39.035 1.00 0.00 N ATOM 1221 CA ALA A 81 1.608 27.899 -40.120 1.00 0.00 C ATOM 1222 C ALA A 81 2.856 28.686 -39.736 1.00 0.00 C ATOM 1223 O ALA A 81 2.803 29.577 -38.889 1.00 0.00 O ATOM 1224 CB ALA A 81 0.471 28.838 -40.503 1.00 0.00 C ATOM 0 H ALA A 81 1.119 27.489 -38.129 1.00 0.00 H new ATOM 0 HA ALA A 81 1.852 27.284 -40.986 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.793 29.486 -41.318 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.391 28.253 -40.824 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.196 29.447 -39.642 1.00 0.00 H new ATOM 1230 N ALA A 82 3.975 28.340 -40.346 1.00 0.00 N ATOM 1231 CA ALA A 82 5.229 29.019 -40.080 1.00 0.00 C ATOM 1232 C ALA A 82 5.982 29.241 -41.380 1.00 0.00 C ATOM 1233 O ALA A 82 6.654 28.298 -41.849 1.00 0.00 O ATOM 1234 CB ALA A 82 6.069 28.220 -39.091 1.00 0.00 C ATOM 1235 OXT ALA A 82 5.862 30.339 -41.955 1.00 0.00 O ATOM 0 H ALA A 82 4.040 27.589 -41.033 1.00 0.00 H new ATOM 0 HA ALA A 82 5.019 29.990 -39.632 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.006 28.744 -38.903 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.521 28.109 -38.155 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.281 27.235 -39.506 1.00 0.00 H new TER 1241 ALA A 82 HETATM 1242 ZN ZN A 83 -4.116 -2.796 -18.271 1.00 0.00 ZN