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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= -0.134 (180deg=-0.583) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0094 USER MOD Single : A 3 THR OG1 : rot 32:sc= 0.126 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -158:sc= -0.261 (180deg=-1.03) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 19 GLN : amide:sc= 1.05 K(o=1,f=-0.13) USER MOD Single : A 20 MET CE :methyl 162:sc= 0 (180deg=-0.287) USER MOD Single : A 22 THR OG1 : rot -6:sc= 0.283 USER MOD Single : A 23 TYR OH : rot 27:sc= 0.996 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0345 F(o=-1.3!,f=-0.034) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 142:sc= -0.173 (180deg=-0.675) USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 1.06 (180deg=0.803) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -50:sc= 0.579 USER MOD Single : A 53 MET CE :methyl -152:sc= -0.247 (180deg=-1.18) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 83:sc= 1.01 USER MOD Single : A 67 TYR OH : rot -164:sc= 0.237 USER MOD Single : A 73 HIS : no HD1:sc= -1.48 X(o=-1.5,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.140 7.174 -11.420 1.00 0.00 N ATOM 2 CA MET A 1 -13.043 6.980 -12.860 1.00 0.00 C ATOM 3 C MET A 1 -12.271 8.135 -13.485 1.00 0.00 C ATOM 4 O MET A 1 -12.462 8.471 -14.655 1.00 0.00 O ATOM 5 CB MET A 1 -14.435 6.845 -13.489 1.00 0.00 C ATOM 6 CG MET A 1 -15.396 7.958 -13.114 1.00 0.00 C ATOM 7 SD MET A 1 -17.015 7.752 -13.882 1.00 0.00 S ATOM 8 CE MET A 1 -17.933 9.072 -13.096 1.00 0.00 C ATOM 0 H1 MET A 1 -13.879 6.552 -11.035 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.228 6.944 -10.976 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.382 8.165 -11.219 1.00 0.00 H new ATOM 0 HA MET A 1 -12.503 6.053 -13.054 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.331 6.820 -14.574 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.867 5.890 -13.188 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.511 7.986 -12.030 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.973 8.917 -13.414 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.957 9.075 -13.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.940 8.918 -12.017 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.462 10.028 -13.323 1.00 0.00 H new ATOM 18 N SER A 2 -11.384 8.726 -12.692 1.00 0.00 N ATOM 19 CA SER A 2 -10.537 9.811 -13.151 1.00 0.00 C ATOM 20 C SER A 2 -9.232 9.256 -13.714 1.00 0.00 C ATOM 21 O SER A 2 -8.905 8.088 -13.501 1.00 0.00 O ATOM 22 CB SER A 2 -10.254 10.770 -11.990 1.00 0.00 C ATOM 23 OG SER A 2 -9.784 10.067 -10.848 1.00 0.00 O ATOM 0 H SER A 2 -11.235 8.465 -11.717 1.00 0.00 H new ATOM 0 HA SER A 2 -11.050 10.357 -13.943 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.513 11.508 -12.297 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.162 11.316 -11.736 1.00 0.00 H new ATOM 0 HG SER A 2 -9.609 10.702 -10.122 1.00 0.00 H new ATOM 29 N THR A 3 -8.493 10.090 -14.427 1.00 0.00 N ATOM 30 CA THR A 3 -7.223 9.685 -15.005 1.00 0.00 C ATOM 31 C THR A 3 -6.152 9.555 -13.928 1.00 0.00 C ATOM 32 O THR A 3 -5.859 10.516 -13.220 1.00 0.00 O ATOM 33 CB THR A 3 -6.767 10.697 -16.068 1.00 0.00 C ATOM 34 OG1 THR A 3 -6.905 12.028 -15.555 1.00 0.00 O ATOM 35 CG2 THR A 3 -7.585 10.549 -17.341 1.00 0.00 C ATOM 0 H THR A 3 -8.753 11.057 -14.620 1.00 0.00 H new ATOM 0 HA THR A 3 -7.366 8.712 -15.476 1.00 0.00 H new ATOM 0 HB THR A 3 -5.721 10.503 -16.306 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.748 12.024 -14.588 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.244 11.275 -18.079 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.460 9.542 -17.739 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.638 10.723 -17.119 1.00 0.00 H new ATOM 43 N TYR A 4 -5.562 8.370 -13.816 1.00 0.00 N ATOM 44 CA TYR A 4 -4.566 8.106 -12.782 1.00 0.00 C ATOM 45 C TYR A 4 -3.163 8.537 -13.207 1.00 0.00 C ATOM 46 O TYR A 4 -2.188 8.278 -12.494 1.00 0.00 O ATOM 47 CB TYR A 4 -4.566 6.622 -12.402 1.00 0.00 C ATOM 48 CG TYR A 4 -5.289 6.335 -11.105 1.00 0.00 C ATOM 49 CD1 TYR A 4 -4.694 6.630 -9.886 1.00 0.00 C ATOM 50 CD2 TYR A 4 -6.560 5.773 -11.096 1.00 0.00 C ATOM 51 CE1 TYR A 4 -5.341 6.376 -8.693 1.00 0.00 C ATOM 52 CE2 TYR A 4 -7.215 5.516 -9.905 1.00 0.00 C ATOM 53 CZ TYR A 4 -6.602 5.820 -8.706 1.00 0.00 C ATOM 54 OH TYR A 4 -7.251 5.570 -7.515 1.00 0.00 O ATOM 0 H TYR A 4 -5.755 7.577 -14.428 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.844 8.702 -11.912 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.032 6.049 -13.204 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.536 6.275 -12.320 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.706 7.066 -9.870 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.043 5.534 -12.032 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.861 6.612 -7.754 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -8.203 5.079 -9.913 1.00 0.00 H new ATOM 0 HH TYR A 4 -8.131 5.178 -7.698 1.00 0.00 H new ATOM 64 N ASP A 5 -3.053 9.194 -14.356 1.00 0.00 N ATOM 65 CA ASP A 5 -1.757 9.667 -14.832 1.00 0.00 C ATOM 66 C ASP A 5 -1.934 10.651 -15.984 1.00 0.00 C ATOM 67 O ASP A 5 -3.038 10.808 -16.502 1.00 0.00 O ATOM 68 CB ASP A 5 -0.880 8.487 -15.272 1.00 0.00 C ATOM 69 CG ASP A 5 0.588 8.851 -15.358 1.00 0.00 C ATOM 70 OD1 ASP A 5 0.976 9.894 -14.790 1.00 0.00 O ATOM 71 OD2 ASP A 5 1.359 8.085 -15.965 1.00 0.00 O ATOM 0 H ASP A 5 -3.838 9.410 -14.971 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.260 10.182 -14.010 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.006 7.664 -14.569 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.219 8.130 -16.244 1.00 0.00 H new ATOM 76 N GLU A 6 -0.846 11.308 -16.357 1.00 0.00 N ATOM 77 CA GLU A 6 -0.825 12.255 -17.468 1.00 0.00 C ATOM 78 C GLU A 6 0.521 12.139 -18.174 1.00 0.00 C ATOM 79 O GLU A 6 1.560 12.444 -17.586 1.00 0.00 O ATOM 80 CB GLU A 6 -1.045 13.684 -16.954 1.00 0.00 C ATOM 81 CG GLU A 6 -1.051 14.739 -18.048 1.00 0.00 C ATOM 82 CD GLU A 6 -1.189 16.146 -17.505 1.00 0.00 C ATOM 83 OE1 GLU A 6 -0.239 16.630 -16.853 1.00 0.00 O ATOM 84 OE2 GLU A 6 -2.237 16.784 -17.746 1.00 0.00 O ATOM 0 H GLU A 6 0.057 11.200 -15.895 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.628 12.026 -18.169 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.994 13.725 -16.419 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.262 13.925 -16.235 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.128 14.665 -18.623 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.872 14.538 -18.736 1.00 0.00 H new ATOM 91 N ILE A 7 0.517 11.676 -19.419 1.00 0.00 N ATOM 92 CA ILE A 7 1.768 11.323 -20.091 1.00 0.00 C ATOM 93 C ILE A 7 1.984 12.122 -21.366 1.00 0.00 C ATOM 94 O ILE A 7 1.042 12.383 -22.104 1.00 0.00 O ATOM 95 CB ILE A 7 1.776 9.833 -20.453 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.401 9.000 -19.242 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.135 9.404 -20.977 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.465 7.887 -19.593 1.00 0.00 C ATOM 0 H ILE A 7 -0.324 11.537 -19.979 1.00 0.00 H new ATOM 0 HA ILE A 7 2.571 11.556 -19.392 1.00 0.00 H new ATOM 0 HB ILE A 7 1.041 9.673 -21.242 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.304 8.586 -18.794 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.937 9.640 -18.492 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.111 8.343 -21.225 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.379 9.980 -21.869 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.892 9.580 -20.213 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.224 7.318 -18.695 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.450 8.301 -20.017 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.938 7.230 -20.323 1.00 0.00 H new ATOM 110 N GLU A 8 3.232 12.499 -21.619 1.00 0.00 N ATOM 111 CA GLU A 8 3.606 13.104 -22.891 1.00 0.00 C ATOM 112 C GLU A 8 3.370 12.124 -24.038 1.00 0.00 C ATOM 113 O GLU A 8 3.638 10.927 -23.908 1.00 0.00 O ATOM 114 CB GLU A 8 5.079 13.521 -22.883 1.00 0.00 C ATOM 115 CG GLU A 8 5.361 14.852 -22.202 1.00 0.00 C ATOM 116 CD GLU A 8 4.944 14.887 -20.748 1.00 0.00 C ATOM 117 OE1 GLU A 8 5.351 13.986 -19.987 1.00 0.00 O ATOM 118 OE2 GLU A 8 4.233 15.835 -20.357 1.00 0.00 O ATOM 0 H GLU A 8 4.003 12.396 -20.959 1.00 0.00 H new ATOM 0 HA GLU A 8 2.985 13.988 -23.034 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.659 12.744 -22.385 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.433 13.573 -23.913 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.427 15.068 -22.271 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.840 15.644 -22.740 1.00 0.00 H new ATOM 125 N ILE A 9 2.872 12.636 -25.153 1.00 0.00 N ATOM 126 CA ILE A 9 2.613 11.825 -26.340 1.00 0.00 C ATOM 127 C ILE A 9 3.870 11.074 -26.793 1.00 0.00 C ATOM 128 O ILE A 9 3.785 9.946 -27.276 1.00 0.00 O ATOM 129 CB ILE A 9 2.063 12.697 -27.499 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.781 11.843 -28.739 1.00 0.00 C ATOM 131 CG2 ILE A 9 3.030 13.825 -27.832 1.00 0.00 C ATOM 132 CD1 ILE A 9 1.172 12.619 -29.890 1.00 0.00 C ATOM 0 H ILE A 9 2.636 13.622 -25.264 1.00 0.00 H new ATOM 0 HA ILE A 9 1.857 11.088 -26.069 1.00 0.00 H new ATOM 0 HB ILE A 9 1.122 13.139 -27.171 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.712 11.386 -29.073 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.108 11.031 -28.464 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.624 14.424 -28.647 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.170 14.455 -26.954 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.989 13.405 -28.133 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.001 11.948 -30.731 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.224 13.054 -29.574 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.853 13.414 -30.193 1.00 0.00 H new ATOM 144 N GLU A 10 5.032 11.693 -26.609 1.00 0.00 N ATOM 145 CA GLU A 10 6.298 11.084 -27.003 1.00 0.00 C ATOM 146 C GLU A 10 6.695 9.951 -26.058 1.00 0.00 C ATOM 147 O GLU A 10 7.393 9.021 -26.454 1.00 0.00 O ATOM 148 CB GLU A 10 7.404 12.132 -27.046 1.00 0.00 C ATOM 149 CG GLU A 10 7.160 13.224 -28.071 1.00 0.00 C ATOM 150 CD GLU A 10 8.283 14.235 -28.112 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.274 13.995 -28.828 1.00 0.00 O ATOM 152 OE2 GLU A 10 8.183 15.263 -27.409 1.00 0.00 O ATOM 0 H GLU A 10 5.123 12.618 -26.189 1.00 0.00 H new ATOM 0 HA GLU A 10 6.162 10.663 -27.999 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.503 12.585 -26.060 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.351 11.641 -27.268 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.043 12.774 -29.057 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.224 13.733 -27.840 1.00 0.00 H new ATOM 159 N ASP A 11 6.260 10.040 -24.807 1.00 0.00 N ATOM 160 CA ASP A 11 6.566 9.006 -23.818 1.00 0.00 C ATOM 161 C ASP A 11 5.758 7.749 -24.132 1.00 0.00 C ATOM 162 O ASP A 11 6.189 6.627 -23.861 1.00 0.00 O ATOM 163 CB ASP A 11 6.252 9.512 -22.404 1.00 0.00 C ATOM 164 CG ASP A 11 6.861 8.654 -21.306 1.00 0.00 C ATOM 165 OD1 ASP A 11 6.220 7.669 -20.874 1.00 0.00 O ATOM 166 OD2 ASP A 11 7.981 8.977 -20.854 1.00 0.00 O ATOM 0 H ASP A 11 5.697 10.812 -24.451 1.00 0.00 H new ATOM 0 HA ASP A 11 7.628 8.766 -23.863 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.619 10.533 -22.302 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.171 9.546 -22.270 1.00 0.00 H new ATOM 171 N MET A 12 4.592 7.963 -24.733 1.00 0.00 N ATOM 172 CA MET A 12 3.724 6.878 -25.174 1.00 0.00 C ATOM 173 C MET A 12 4.355 6.137 -26.346 1.00 0.00 C ATOM 174 O MET A 12 5.026 6.742 -27.184 1.00 0.00 O ATOM 175 CB MET A 12 2.357 7.435 -25.592 1.00 0.00 C ATOM 176 CG MET A 12 1.569 8.067 -24.454 1.00 0.00 C ATOM 177 SD MET A 12 0.868 6.846 -23.327 1.00 0.00 S ATOM 178 CE MET A 12 -0.306 6.032 -24.410 1.00 0.00 C ATOM 0 H MET A 12 4.223 8.894 -24.928 1.00 0.00 H new ATOM 0 HA MET A 12 3.591 6.182 -24.346 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.504 8.179 -26.375 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.765 6.629 -26.025 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.221 8.738 -23.895 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.765 8.676 -24.869 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.075 5.544 -23.812 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.769 6.770 -25.065 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.212 5.286 -25.013 1.00 0.00 H new ATOM 188 N THR A 13 4.143 4.834 -26.404 1.00 0.00 N ATOM 189 CA THR A 13 4.683 4.030 -27.483 1.00 0.00 C ATOM 190 C THR A 13 3.691 3.955 -28.638 1.00 0.00 C ATOM 191 O THR A 13 2.589 3.422 -28.497 1.00 0.00 O ATOM 192 CB THR A 13 5.034 2.613 -26.993 1.00 0.00 C ATOM 193 OG1 THR A 13 5.927 2.702 -25.872 1.00 0.00 O ATOM 194 CG2 THR A 13 5.687 1.796 -28.101 1.00 0.00 C ATOM 0 H THR A 13 3.601 4.311 -25.716 1.00 0.00 H new ATOM 0 HA THR A 13 5.598 4.507 -27.834 1.00 0.00 H new ATOM 0 HB THR A 13 4.112 2.113 -26.696 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.149 1.801 -25.559 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.924 0.800 -27.727 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.001 1.713 -28.944 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.603 2.289 -28.425 1.00 0.00 H new ATOM 202 N PHE A 14 4.082 4.505 -29.773 1.00 0.00 N ATOM 203 CA PHE A 14 3.209 4.570 -30.935 1.00 0.00 C ATOM 204 C PHE A 14 3.070 3.209 -31.608 1.00 0.00 C ATOM 205 O PHE A 14 4.038 2.457 -31.728 1.00 0.00 O ATOM 206 CB PHE A 14 3.725 5.614 -31.935 1.00 0.00 C ATOM 207 CG PHE A 14 5.162 5.429 -32.349 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.190 5.994 -31.607 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.484 4.699 -33.484 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.509 5.832 -31.987 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.801 4.535 -33.869 1.00 0.00 C ATOM 212 CZ PHE A 14 7.814 5.102 -33.120 1.00 0.00 C ATOM 0 H PHE A 14 5.004 4.916 -29.917 1.00 0.00 H new ATOM 0 HA PHE A 14 2.220 4.871 -30.591 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.097 5.586 -32.826 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.612 6.605 -31.496 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.956 6.567 -30.722 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.696 4.254 -34.074 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.300 6.275 -31.400 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.038 3.964 -34.755 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.844 4.975 -33.420 1.00 0.00 H new ATOM 222 N GLU A 15 1.850 2.896 -32.027 1.00 0.00 N ATOM 223 CA GLU A 15 1.568 1.672 -32.762 1.00 0.00 C ATOM 224 C GLU A 15 1.100 2.028 -34.170 1.00 0.00 C ATOM 225 O GLU A 15 -0.104 2.132 -34.428 1.00 0.00 O ATOM 226 CB GLU A 15 0.499 0.851 -32.040 1.00 0.00 C ATOM 227 CG GLU A 15 0.525 -0.633 -32.377 1.00 0.00 C ATOM 228 CD GLU A 15 1.759 -1.329 -31.831 1.00 0.00 C ATOM 229 OE1 GLU A 15 1.721 -1.790 -30.672 1.00 0.00 O ATOM 230 OE2 GLU A 15 2.771 -1.416 -32.563 1.00 0.00 O ATOM 0 H GLU A 15 1.031 3.483 -31.867 1.00 0.00 H new ATOM 0 HA GLU A 15 2.476 1.071 -32.823 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.628 0.971 -30.964 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.483 1.253 -32.290 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.367 -1.110 -31.972 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.490 -0.758 -33.459 1.00 0.00 H new ATOM 237 N PRO A 16 2.055 2.241 -35.093 1.00 0.00 N ATOM 238 CA PRO A 16 1.774 2.777 -36.430 1.00 0.00 C ATOM 239 C PRO A 16 0.830 1.909 -37.255 1.00 0.00 C ATOM 240 O PRO A 16 0.095 2.425 -38.094 1.00 0.00 O ATOM 241 CB PRO A 16 3.153 2.850 -37.097 1.00 0.00 C ATOM 242 CG PRO A 16 4.020 1.928 -36.310 1.00 0.00 C ATOM 243 CD PRO A 16 3.493 1.971 -34.907 1.00 0.00 C ATOM 0 HA PRO A 16 1.263 3.737 -36.360 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.101 2.545 -38.142 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.544 3.867 -37.081 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.980 0.916 -36.712 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.062 2.245 -36.346 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.661 1.029 -34.385 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.976 2.752 -34.319 1.00 0.00 H new ATOM 251 N GLU A 17 0.834 0.602 -37.011 1.00 0.00 N ATOM 252 CA GLU A 17 0.003 -0.316 -37.792 1.00 0.00 C ATOM 253 C GLU A 17 -1.479 -0.079 -37.518 1.00 0.00 C ATOM 254 O GLU A 17 -2.325 -0.306 -38.382 1.00 0.00 O ATOM 255 CB GLU A 17 0.331 -1.777 -37.479 1.00 0.00 C ATOM 256 CG GLU A 17 1.807 -2.062 -37.282 1.00 0.00 C ATOM 257 CD GLU A 17 2.207 -1.983 -35.827 1.00 0.00 C ATOM 258 OE1 GLU A 17 2.564 -0.884 -35.362 1.00 0.00 O ATOM 259 OE2 GLU A 17 2.154 -3.021 -35.140 1.00 0.00 O ATOM 0 H GLU A 17 1.396 0.155 -36.287 1.00 0.00 H new ATOM 0 HA GLU A 17 0.220 -0.118 -38.842 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.206 -2.072 -36.578 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.041 -2.402 -38.291 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.040 -3.054 -37.669 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.395 -1.348 -37.859 1.00 0.00 H new ATOM 266 N ASN A 18 -1.787 0.381 -36.313 1.00 0.00 N ATOM 267 CA ASN A 18 -3.173 0.562 -35.898 1.00 0.00 C ATOM 268 C ASN A 18 -3.528 2.037 -35.818 1.00 0.00 C ATOM 269 O ASN A 18 -4.658 2.392 -35.492 1.00 0.00 O ATOM 270 CB ASN A 18 -3.422 -0.108 -34.545 1.00 0.00 C ATOM 271 CG ASN A 18 -3.245 -1.614 -34.586 1.00 0.00 C ATOM 272 OD1 ASN A 18 -4.192 -2.355 -34.847 1.00 0.00 O ATOM 273 ND2 ASN A 18 -2.032 -2.077 -34.319 1.00 0.00 N ATOM 0 H ASN A 18 -1.097 0.636 -35.606 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.810 0.092 -36.648 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.739 0.312 -33.807 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.434 0.124 -34.212 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.857 -3.082 -34.325 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.274 -1.428 -34.107 1.00 0.00 H new ATOM 280 N GLN A 19 -2.547 2.890 -36.121 1.00 0.00 N ATOM 281 CA GLN A 19 -2.729 4.342 -36.086 1.00 0.00 C ATOM 282 C GLN A 19 -3.123 4.814 -34.685 1.00 0.00 C ATOM 283 O GLN A 19 -3.952 5.715 -34.531 1.00 0.00 O ATOM 284 CB GLN A 19 -3.785 4.797 -37.107 1.00 0.00 C ATOM 285 CG GLN A 19 -3.358 4.690 -38.569 1.00 0.00 C ATOM 286 CD GLN A 19 -3.491 3.290 -39.141 1.00 0.00 C ATOM 287 OE1 GLN A 19 -4.547 2.915 -39.645 1.00 0.00 O ATOM 288 NE2 GLN A 19 -2.416 2.527 -39.114 1.00 0.00 N ATOM 0 H GLN A 19 -1.610 2.596 -36.396 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.773 4.794 -36.352 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.687 4.202 -36.963 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.049 5.833 -36.896 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.960 5.376 -39.166 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.321 5.014 -38.660 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.556 2.872 -38.687 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.444 1.592 -39.520 1.00 0.00 H new ATOM 297 N MET A 20 -2.500 4.230 -33.667 1.00 0.00 N ATOM 298 CA MET A 20 -2.828 4.573 -32.290 1.00 0.00 C ATOM 299 C MET A 20 -1.574 4.602 -31.428 1.00 0.00 C ATOM 300 O MET A 20 -0.494 4.203 -31.866 1.00 0.00 O ATOM 301 CB MET A 20 -3.832 3.571 -31.709 1.00 0.00 C ATOM 302 CG MET A 20 -3.285 2.162 -31.559 1.00 0.00 C ATOM 303 SD MET A 20 -4.463 1.044 -30.773 1.00 0.00 S ATOM 304 CE MET A 20 -3.534 -0.488 -30.774 1.00 0.00 C ATOM 0 H MET A 20 -1.772 3.523 -33.768 1.00 0.00 H new ATOM 0 HA MET A 20 -3.278 5.566 -32.290 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.161 3.927 -30.733 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.712 3.541 -32.351 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.019 1.772 -32.542 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.369 2.192 -30.970 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.973 -1.180 -30.056 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.563 -0.931 -31.770 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.499 -0.286 -30.497 1.00 0.00 H new ATOM 314 N PHE A 21 -1.721 5.093 -30.212 1.00 0.00 N ATOM 315 CA PHE A 21 -0.646 5.069 -29.234 1.00 0.00 C ATOM 316 C PHE A 21 -0.980 4.074 -28.136 1.00 0.00 C ATOM 317 O PHE A 21 -2.146 3.908 -27.774 1.00 0.00 O ATOM 318 CB PHE A 21 -0.412 6.458 -28.634 1.00 0.00 C ATOM 319 CG PHE A 21 0.348 7.389 -29.534 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.298 8.097 -30.533 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.714 7.557 -29.375 1.00 0.00 C ATOM 322 CE1 PHE A 21 0.404 8.954 -31.359 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.422 8.412 -30.196 1.00 0.00 C ATOM 324 CZ PHE A 21 1.765 9.111 -31.190 1.00 0.00 C ATOM 0 H PHE A 21 -2.584 5.518 -29.874 1.00 0.00 H new ATOM 0 HA PHE A 21 0.272 4.763 -29.737 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.376 6.907 -28.394 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.132 6.351 -27.696 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.363 7.978 -30.668 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.232 7.012 -28.599 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.111 9.500 -32.135 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.487 8.534 -30.061 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.316 9.780 -31.835 1.00 0.00 H new ATOM 334 N THR A 22 0.036 3.404 -27.624 1.00 0.00 N ATOM 335 CA THR A 22 -0.160 2.399 -26.600 1.00 0.00 C ATOM 336 C THR A 22 0.855 2.556 -25.478 1.00 0.00 C ATOM 337 O THR A 22 1.910 3.163 -25.663 1.00 0.00 O ATOM 338 CB THR A 22 -0.060 0.977 -27.188 1.00 0.00 C ATOM 339 OG1 THR A 22 1.162 0.831 -27.926 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.243 0.676 -28.094 1.00 0.00 C ATOM 0 H THR A 22 1.008 3.540 -27.903 1.00 0.00 H new ATOM 0 HA THR A 22 -1.162 2.543 -26.195 1.00 0.00 H new ATOM 0 HB THR A 22 -0.070 0.269 -26.359 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.619 1.696 -27.976 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.147 -0.333 -28.495 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.168 0.753 -27.522 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.264 1.392 -28.915 1.00 0.00 H new ATOM 348 N TYR A 23 0.530 2.022 -24.314 1.00 0.00 N ATOM 349 CA TYR A 23 1.449 2.043 -23.191 1.00 0.00 C ATOM 350 C TYR A 23 1.416 0.686 -22.490 1.00 0.00 C ATOM 351 O TYR A 23 0.340 0.138 -22.253 1.00 0.00 O ATOM 352 CB TYR A 23 1.076 3.166 -22.219 1.00 0.00 C ATOM 353 CG TYR A 23 2.256 3.738 -21.465 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.208 4.505 -22.122 1.00 0.00 C ATOM 355 CD2 TYR A 23 2.412 3.526 -20.101 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.285 5.041 -21.447 1.00 0.00 C ATOM 357 CE2 TYR A 23 3.488 4.061 -19.416 1.00 0.00 C ATOM 358 CZ TYR A 23 4.423 4.818 -20.094 1.00 0.00 C ATOM 359 OH TYR A 23 5.495 5.360 -19.418 1.00 0.00 O ATOM 0 H TYR A 23 -0.363 1.569 -24.122 1.00 0.00 H new ATOM 0 HA TYR A 23 2.460 2.234 -23.551 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.589 3.967 -22.774 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.348 2.786 -21.502 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.104 4.686 -23.182 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.682 2.935 -19.568 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.017 5.633 -21.977 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.596 3.887 -18.356 1.00 0.00 H new ATOM 0 HH TYR A 23 5.796 6.171 -19.878 1.00 0.00 H new ATOM 369 N PRO A 24 2.592 0.114 -22.192 1.00 0.00 N ATOM 370 CA PRO A 24 2.695 -1.220 -21.584 1.00 0.00 C ATOM 371 C PRO A 24 2.015 -1.314 -20.218 1.00 0.00 C ATOM 372 O PRO A 24 2.349 -0.579 -19.286 1.00 0.00 O ATOM 373 CB PRO A 24 4.206 -1.446 -21.447 1.00 0.00 C ATOM 374 CG PRO A 24 4.819 -0.090 -21.539 1.00 0.00 C ATOM 375 CD PRO A 24 3.916 0.712 -22.428 1.00 0.00 C ATOM 0 HA PRO A 24 2.191 -1.969 -22.194 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.447 -1.923 -20.497 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.579 -2.100 -22.235 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.903 0.368 -20.553 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.826 -0.144 -21.953 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.932 1.770 -22.168 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.211 0.636 -23.475 1.00 0.00 H new ATOM 383 N CYS A 25 1.061 -2.230 -20.123 1.00 0.00 N ATOM 384 CA CYS A 25 0.344 -2.492 -18.885 1.00 0.00 C ATOM 385 C CYS A 25 0.296 -3.994 -18.637 1.00 0.00 C ATOM 386 O CYS A 25 0.247 -4.783 -19.585 1.00 0.00 O ATOM 387 CB CYS A 25 -1.075 -1.920 -18.974 1.00 0.00 C ATOM 388 SG CYS A 25 -2.169 -2.354 -17.582 1.00 0.00 S ATOM 0 H CYS A 25 0.763 -2.813 -20.905 1.00 0.00 H new ATOM 0 HA CYS A 25 0.861 -2.011 -18.055 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.009 -0.834 -19.040 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.534 -2.268 -19.899 1.00 0.00 H new ATOM 393 N PRO A 26 0.370 -4.423 -17.373 1.00 0.00 N ATOM 394 CA PRO A 26 0.197 -5.813 -17.021 1.00 0.00 C ATOM 395 C PRO A 26 -1.248 -6.123 -16.627 1.00 0.00 C ATOM 396 O PRO A 26 -1.754 -5.606 -15.629 1.00 0.00 O ATOM 397 CB PRO A 26 1.137 -5.965 -15.823 1.00 0.00 C ATOM 398 CG PRO A 26 1.292 -4.586 -15.239 1.00 0.00 C ATOM 399 CD PRO A 26 0.648 -3.605 -16.194 1.00 0.00 C ATOM 0 HA PRO A 26 0.414 -6.495 -17.843 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.724 -6.656 -15.088 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.101 -6.368 -16.132 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.819 -4.531 -14.258 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.346 -4.347 -15.099 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.263 -3.176 -15.777 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.314 -2.774 -16.428 1.00 0.00 H new ATOM 407 N CYS A 27 -1.877 -7.012 -17.389 1.00 0.00 N ATOM 408 CA CYS A 27 -3.272 -7.386 -17.178 1.00 0.00 C ATOM 409 C CYS A 27 -3.713 -8.326 -18.296 1.00 0.00 C ATOM 410 O CYS A 27 -4.418 -9.313 -18.074 1.00 0.00 O ATOM 411 CB CYS A 27 -4.182 -6.144 -17.162 1.00 0.00 C ATOM 412 SG CYS A 27 -4.301 -5.274 -18.763 1.00 0.00 S ATOM 0 H CYS A 27 -1.434 -7.494 -18.171 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.356 -7.884 -16.212 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.182 -6.446 -16.851 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.811 -5.447 -16.410 1.00 0.00 H new ATOM 417 N GLY A 28 -3.270 -8.003 -19.502 1.00 0.00 N ATOM 418 CA GLY A 28 -3.610 -8.782 -20.671 1.00 0.00 C ATOM 419 C GLY A 28 -3.693 -7.910 -21.907 1.00 0.00 C ATOM 420 O GLY A 28 -3.760 -8.409 -23.033 1.00 0.00 O ATOM 0 H GLY A 28 -2.670 -7.200 -19.691 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.862 -9.561 -20.822 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.565 -9.283 -20.512 1.00 0.00 H new ATOM 424 N ASP A 29 -3.707 -6.601 -21.692 1.00 0.00 N ATOM 425 CA ASP A 29 -3.737 -5.645 -22.788 1.00 0.00 C ATOM 426 C ASP A 29 -2.881 -4.430 -22.458 1.00 0.00 C ATOM 427 O ASP A 29 -2.285 -4.357 -21.383 1.00 0.00 O ATOM 428 CB ASP A 29 -5.165 -5.212 -23.105 1.00 0.00 C ATOM 429 CG ASP A 29 -5.417 -5.178 -24.597 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.732 -4.412 -25.309 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.286 -5.945 -25.072 1.00 0.00 O ATOM 0 H ASP A 29 -3.698 -6.177 -20.764 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.328 -6.137 -23.671 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.868 -5.898 -22.632 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.349 -4.225 -22.681 1.00 0.00 H new ATOM 436 N ARG A 30 -2.761 -3.519 -23.409 1.00 0.00 N ATOM 437 CA ARG A 30 -1.993 -2.299 -23.208 1.00 0.00 C ATOM 438 C ARG A 30 -2.887 -1.078 -23.409 1.00 0.00 C ATOM 439 O ARG A 30 -3.851 -1.136 -24.178 1.00 0.00 O ATOM 440 CB ARG A 30 -0.804 -2.260 -24.174 1.00 0.00 C ATOM 441 CG ARG A 30 -1.196 -2.467 -25.629 1.00 0.00 C ATOM 442 CD ARG A 30 0.015 -2.455 -26.547 1.00 0.00 C ATOM 443 NE ARG A 30 0.971 -3.512 -26.215 1.00 0.00 N ATOM 444 CZ ARG A 30 2.194 -3.606 -26.739 1.00 0.00 C ATOM 445 NH1 ARG A 30 2.605 -2.719 -27.642 1.00 0.00 N ATOM 446 NH2 ARG A 30 2.998 -4.595 -26.373 1.00 0.00 N ATOM 0 H ARG A 30 -3.187 -3.601 -24.332 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.610 -2.284 -22.187 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.298 -1.300 -24.076 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.087 -3.029 -23.886 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.721 -3.417 -25.732 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.891 -1.684 -25.933 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.313 -2.575 -27.580 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.510 -1.486 -26.480 1.00 0.00 H new ATOM 0 HE ARG A 30 0.684 -4.221 -25.541 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.984 -1.965 -27.935 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.541 -2.794 -28.041 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.681 -5.284 -25.691 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.933 -4.667 -26.774 1.00 0.00 H new ATOM 460 N PHE A 31 -2.571 0.016 -22.711 1.00 0.00 N ATOM 461 CA PHE A 31 -3.326 1.265 -22.842 1.00 0.00 C ATOM 462 C PHE A 31 -3.455 1.653 -24.307 1.00 0.00 C ATOM 463 O PHE A 31 -2.454 1.757 -25.010 1.00 0.00 O ATOM 464 CB PHE A 31 -2.636 2.404 -22.084 1.00 0.00 C ATOM 465 CG PHE A 31 -2.521 2.188 -20.603 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.581 2.487 -19.765 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.349 1.700 -20.050 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.474 2.300 -18.403 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.236 1.514 -18.687 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.300 1.814 -17.862 1.00 0.00 C ATOM 0 H PHE A 31 -1.797 0.062 -22.049 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.316 1.101 -22.416 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.637 2.545 -22.496 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.187 3.328 -22.262 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.501 2.870 -20.182 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.514 1.462 -20.692 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.309 2.534 -17.759 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.316 1.134 -18.267 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.215 1.669 -16.795 1.00 0.00 H new ATOM 480 N GLN A 32 -4.678 1.863 -24.768 1.00 0.00 N ATOM 481 CA GLN A 32 -4.910 2.164 -26.169 1.00 0.00 C ATOM 482 C GLN A 32 -5.594 3.518 -26.332 1.00 0.00 C ATOM 483 O GLN A 32 -6.537 3.847 -25.611 1.00 0.00 O ATOM 484 CB GLN A 32 -5.740 1.046 -26.815 1.00 0.00 C ATOM 485 CG GLN A 32 -7.143 0.891 -26.235 1.00 0.00 C ATOM 486 CD GLN A 32 -7.857 -0.368 -26.706 1.00 0.00 C ATOM 487 OE1 GLN A 32 -7.119 -1.457 -26.869 1.00 0.00 O flip ATOM 488 NE2 GLN A 32 -9.079 -0.370 -26.875 1.00 0.00 N flip ATOM 0 H GLN A 32 -5.521 1.830 -24.194 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.947 2.220 -26.677 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.821 1.241 -27.884 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.207 0.102 -26.703 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.079 0.878 -25.147 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.739 1.762 -26.508 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.614 0.488 -26.740 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.554 -1.230 -27.150 1.00 0.00 H new ATOM 497 N ILE A 33 -5.077 4.311 -27.257 1.00 0.00 N ATOM 498 CA ILE A 33 -5.673 5.590 -27.601 1.00 0.00 C ATOM 499 C ILE A 33 -5.463 5.870 -29.088 1.00 0.00 C ATOM 500 O ILE A 33 -4.341 5.803 -29.592 1.00 0.00 O ATOM 501 CB ILE A 33 -5.093 6.743 -26.746 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.750 8.073 -27.127 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.577 6.827 -26.888 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.281 9.240 -26.289 1.00 0.00 C ATOM 0 H ILE A 33 -4.236 4.086 -27.788 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.741 5.535 -27.388 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.316 6.534 -25.700 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.543 8.283 -28.176 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.831 7.976 -27.028 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.199 7.646 -26.276 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.128 5.890 -26.558 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.319 7.005 -27.932 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.788 10.149 -26.614 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.512 9.051 -25.241 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.204 9.363 -26.407 1.00 0.00 H new ATOM 516 N TYR A 34 -6.545 6.154 -29.794 1.00 0.00 N ATOM 517 CA TYR A 34 -6.479 6.339 -31.234 1.00 0.00 C ATOM 518 C TYR A 34 -6.249 7.802 -31.574 1.00 0.00 C ATOM 519 O TYR A 34 -6.716 8.695 -30.862 1.00 0.00 O ATOM 520 CB TYR A 34 -7.759 5.825 -31.898 1.00 0.00 C ATOM 521 CG TYR A 34 -8.045 4.369 -31.603 1.00 0.00 C ATOM 522 CD1 TYR A 34 -7.358 3.358 -32.263 1.00 0.00 C ATOM 523 CD2 TYR A 34 -8.992 4.005 -30.653 1.00 0.00 C ATOM 524 CE1 TYR A 34 -7.605 2.027 -31.988 1.00 0.00 C ATOM 525 CE2 TYR A 34 -9.243 2.675 -30.370 1.00 0.00 C ATOM 526 CZ TYR A 34 -8.548 1.690 -31.040 1.00 0.00 C ATOM 527 OH TYR A 34 -8.788 0.363 -30.756 1.00 0.00 O ATOM 0 H TYR A 34 -7.477 6.261 -29.395 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.637 5.763 -31.618 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.602 6.429 -31.562 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.680 5.961 -32.977 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.617 3.617 -33.005 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.540 4.773 -30.128 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.062 1.254 -32.513 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.980 2.409 -29.627 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.480 0.296 -30.065 1.00 0.00 H new ATOM 537 N LEU A 35 -5.528 8.041 -32.665 1.00 0.00 N ATOM 538 CA LEU A 35 -5.181 9.396 -33.080 1.00 0.00 C ATOM 539 C LEU A 35 -6.446 10.203 -33.371 1.00 0.00 C ATOM 540 O LEU A 35 -6.482 11.418 -33.173 1.00 0.00 O ATOM 541 CB LEU A 35 -4.272 9.346 -34.317 1.00 0.00 C ATOM 542 CG LEU A 35 -3.156 10.400 -34.374 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.723 11.796 -34.561 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.303 10.335 -33.116 1.00 0.00 C ATOM 0 H LEU A 35 -5.171 7.310 -33.280 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.642 9.889 -32.271 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.815 8.358 -34.368 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.894 9.455 -35.205 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.528 10.178 -35.237 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.907 12.518 -34.597 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.287 11.838 -35.493 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.383 12.035 -33.727 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.516 11.088 -33.171 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.927 10.525 -32.243 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.853 9.346 -33.032 1.00 0.00 H new ATOM 556 N ASP A 36 -7.483 9.504 -33.823 1.00 0.00 N ATOM 557 CA ASP A 36 -8.785 10.113 -34.084 1.00 0.00 C ATOM 558 C ASP A 36 -9.313 10.831 -32.846 1.00 0.00 C ATOM 559 O ASP A 36 -9.682 12.003 -32.910 1.00 0.00 O ATOM 560 CB ASP A 36 -9.784 9.040 -34.538 1.00 0.00 C ATOM 561 CG ASP A 36 -11.219 9.529 -34.531 1.00 0.00 C ATOM 562 OD1 ASP A 36 -11.597 10.302 -35.436 1.00 0.00 O ATOM 563 OD2 ASP A 36 -11.976 9.131 -33.623 1.00 0.00 O ATOM 0 H ASP A 36 -7.446 8.504 -34.018 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.664 10.850 -34.878 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.523 8.710 -35.543 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.698 8.171 -33.885 1.00 0.00 H new ATOM 568 N ASP A 37 -9.312 10.130 -31.716 1.00 0.00 N ATOM 569 CA ASP A 37 -9.823 10.685 -30.466 1.00 0.00 C ATOM 570 C ASP A 37 -8.949 11.842 -30.001 1.00 0.00 C ATOM 571 O ASP A 37 -9.450 12.851 -29.501 1.00 0.00 O ATOM 572 CB ASP A 37 -9.875 9.614 -29.373 1.00 0.00 C ATOM 573 CG ASP A 37 -10.745 8.434 -29.752 1.00 0.00 C ATOM 574 OD1 ASP A 37 -11.987 8.561 -29.711 1.00 0.00 O ATOM 575 OD2 ASP A 37 -10.192 7.369 -30.099 1.00 0.00 O ATOM 0 H ASP A 37 -8.962 9.175 -31.640 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.834 11.048 -30.651 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.864 9.263 -29.166 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.253 10.058 -28.452 1.00 0.00 H new ATOM 580 N MET A 38 -7.643 11.693 -30.190 1.00 0.00 N ATOM 581 CA MET A 38 -6.683 12.716 -29.783 1.00 0.00 C ATOM 582 C MET A 38 -6.913 14.004 -30.565 1.00 0.00 C ATOM 583 O MET A 38 -6.879 15.097 -30.002 1.00 0.00 O ATOM 584 CB MET A 38 -5.246 12.224 -29.993 1.00 0.00 C ATOM 585 CG MET A 38 -4.935 10.927 -29.268 1.00 0.00 C ATOM 586 SD MET A 38 -3.224 10.390 -29.483 1.00 0.00 S ATOM 587 CE MET A 38 -2.346 11.653 -28.564 1.00 0.00 C ATOM 0 H MET A 38 -7.222 10.871 -30.624 1.00 0.00 H new ATOM 0 HA MET A 38 -6.830 12.917 -28.722 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.071 12.085 -31.060 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.554 12.995 -29.654 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.139 11.054 -28.205 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.603 10.146 -29.630 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.508 11.201 -28.033 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.972 12.411 -29.253 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.022 12.117 -27.846 1.00 0.00 H new ATOM 597 N PHE A 39 -7.172 13.865 -31.862 1.00 0.00 N ATOM 598 CA PHE A 39 -7.405 15.012 -32.731 1.00 0.00 C ATOM 599 C PHE A 39 -8.708 15.714 -32.359 1.00 0.00 C ATOM 600 O PHE A 39 -8.846 16.926 -32.531 1.00 0.00 O ATOM 601 CB PHE A 39 -7.438 14.563 -34.193 1.00 0.00 C ATOM 602 CG PHE A 39 -7.521 15.698 -35.176 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.423 16.510 -35.407 1.00 0.00 C ATOM 604 CD2 PHE A 39 -8.695 15.948 -35.871 1.00 0.00 C ATOM 605 CE1 PHE A 39 -6.492 17.552 -36.312 1.00 0.00 C ATOM 606 CE2 PHE A 39 -8.769 16.989 -36.778 1.00 0.00 C ATOM 607 CZ PHE A 39 -7.666 17.792 -36.998 1.00 0.00 C ATOM 0 H PHE A 39 -7.226 12.963 -32.336 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.588 15.721 -32.599 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.543 13.977 -34.404 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.293 13.903 -34.341 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.502 16.327 -34.874 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.560 15.323 -35.702 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.629 18.178 -36.483 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.688 17.174 -37.314 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.722 18.606 -37.705 1.00 0.00 H new ATOM 617 N GLU A 40 -9.658 14.945 -31.836 1.00 0.00 N ATOM 618 CA GLU A 40 -10.930 15.487 -31.385 1.00 0.00 C ATOM 619 C GLU A 40 -10.750 16.361 -30.144 1.00 0.00 C ATOM 620 O GLU A 40 -11.633 17.140 -29.790 1.00 0.00 O ATOM 621 CB GLU A 40 -11.908 14.351 -31.081 1.00 0.00 C ATOM 622 CG GLU A 40 -12.440 13.651 -32.321 1.00 0.00 C ATOM 623 CD GLU A 40 -13.224 14.586 -33.218 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.254 15.123 -32.764 1.00 0.00 O ATOM 625 OE2 GLU A 40 -12.809 14.798 -34.374 1.00 0.00 O ATOM 0 H GLU A 40 -9.567 13.936 -31.715 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.333 16.108 -32.185 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.412 13.617 -30.446 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.748 14.750 -30.512 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.607 13.227 -32.882 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.078 12.820 -32.021 1.00 0.00 H new ATOM 632 N GLY A 41 -9.607 16.220 -29.488 1.00 0.00 N ATOM 633 CA GLY A 41 -9.335 17.000 -28.297 1.00 0.00 C ATOM 634 C GLY A 41 -9.493 16.180 -27.036 1.00 0.00 C ATOM 635 O GLY A 41 -9.134 16.625 -25.946 1.00 0.00 O ATOM 0 H GLY A 41 -8.862 15.578 -29.759 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.321 17.397 -28.347 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.010 17.855 -28.261 1.00 0.00 H new ATOM 639 N GLU A 42 -10.030 14.979 -27.188 1.00 0.00 N ATOM 640 CA GLU A 42 -10.219 14.081 -26.064 1.00 0.00 C ATOM 641 C GLU A 42 -8.988 13.196 -25.910 1.00 0.00 C ATOM 642 O GLU A 42 -8.867 12.156 -26.555 1.00 0.00 O ATOM 643 CB GLU A 42 -11.485 13.241 -26.265 1.00 0.00 C ATOM 644 CG GLU A 42 -11.801 12.306 -25.109 1.00 0.00 C ATOM 645 CD GLU A 42 -13.183 11.700 -25.215 1.00 0.00 C ATOM 646 OE1 GLU A 42 -13.341 10.663 -25.894 1.00 0.00 O ATOM 647 OE2 GLU A 42 -14.128 12.267 -24.628 1.00 0.00 O ATOM 0 H GLU A 42 -10.343 14.605 -28.084 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.346 14.660 -25.150 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.331 13.910 -26.418 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.376 12.652 -27.175 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.059 11.508 -25.078 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.719 12.854 -24.170 1.00 0.00 H new ATOM 654 N LYS A 43 -8.052 13.636 -25.080 1.00 0.00 N ATOM 655 CA LYS A 43 -6.792 12.933 -24.938 1.00 0.00 C ATOM 656 C LYS A 43 -6.722 12.160 -23.627 1.00 0.00 C ATOM 657 O LYS A 43 -6.471 12.708 -22.554 1.00 0.00 O ATOM 658 CB LYS A 43 -5.614 13.901 -25.099 1.00 0.00 C ATOM 659 CG LYS A 43 -5.816 15.284 -24.484 1.00 0.00 C ATOM 660 CD LYS A 43 -5.394 15.346 -23.028 1.00 0.00 C ATOM 661 CE LYS A 43 -5.693 16.707 -22.424 1.00 0.00 C ATOM 662 NZ LYS A 43 -5.250 16.802 -21.010 1.00 0.00 N ATOM 0 H LYS A 43 -8.143 14.470 -24.500 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.725 12.194 -25.736 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.729 13.448 -24.651 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.407 14.021 -26.162 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.246 16.017 -25.055 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.866 15.563 -24.566 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.915 14.573 -22.463 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.327 15.136 -22.947 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.197 17.480 -23.011 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.764 16.901 -22.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.365 17.780 -20.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.825 16.165 -20.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.249 16.528 -20.941 1.00 0.00 H new ATOM 676 N VAL A 44 -6.958 10.867 -23.743 1.00 0.00 N ATOM 677 CA VAL A 44 -6.911 9.951 -22.620 1.00 0.00 C ATOM 678 C VAL A 44 -6.887 8.523 -23.145 1.00 0.00 C ATOM 679 O VAL A 44 -7.680 8.159 -24.014 1.00 0.00 O ATOM 680 CB VAL A 44 -8.107 10.161 -21.648 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.413 10.316 -22.408 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.216 9.018 -20.648 1.00 0.00 C ATOM 0 H VAL A 44 -7.190 10.419 -24.629 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.004 10.149 -22.049 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.916 11.082 -21.097 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.230 10.461 -21.701 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.348 11.179 -23.070 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.599 9.419 -22.998 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.062 9.195 -19.983 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.365 8.080 -21.183 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.299 8.959 -20.061 1.00 0.00 H new ATOM 692 N ALA A 45 -5.959 7.730 -22.650 1.00 0.00 N ATOM 693 CA ALA A 45 -5.831 6.360 -23.100 1.00 0.00 C ATOM 694 C ALA A 45 -6.484 5.426 -22.103 1.00 0.00 C ATOM 695 O ALA A 45 -6.421 5.650 -20.890 1.00 0.00 O ATOM 696 CB ALA A 45 -4.370 5.995 -23.309 1.00 0.00 C ATOM 0 H ALA A 45 -5.284 8.010 -21.938 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.340 6.257 -24.059 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.298 4.961 -23.647 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.934 6.654 -24.060 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.829 6.108 -22.370 1.00 0.00 H new ATOM 702 N VAL A 46 -7.131 4.400 -22.616 1.00 0.00 N ATOM 703 CA VAL A 46 -7.797 3.423 -21.779 1.00 0.00 C ATOM 704 C VAL A 46 -7.214 2.053 -22.025 1.00 0.00 C ATOM 705 O VAL A 46 -6.921 1.688 -23.163 1.00 0.00 O ATOM 706 CB VAL A 46 -9.322 3.392 -22.035 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.635 3.096 -23.495 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.008 2.385 -21.118 1.00 0.00 C ATOM 0 H VAL A 46 -7.210 4.220 -23.617 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.637 3.713 -20.741 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.714 4.383 -21.807 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.715 3.082 -23.640 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.195 3.869 -24.125 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.219 2.126 -23.767 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.080 2.382 -21.318 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.602 1.390 -21.302 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.833 2.662 -20.078 1.00 0.00 H new ATOM 718 N CYS A 47 -7.009 1.311 -20.964 1.00 0.00 N ATOM 719 CA CYS A 47 -6.569 -0.045 -21.098 1.00 0.00 C ATOM 720 C CYS A 47 -7.748 -0.979 -20.885 1.00 0.00 C ATOM 721 O CYS A 47 -8.410 -0.930 -19.844 1.00 0.00 O ATOM 722 CB CYS A 47 -5.453 -0.351 -20.109 1.00 0.00 C ATOM 723 SG CYS A 47 -4.548 -1.892 -20.457 1.00 0.00 S ATOM 0 H CYS A 47 -7.141 1.627 -20.003 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.171 -0.194 -22.102 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.747 0.479 -20.107 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.877 -0.411 -19.107 1.00 0.00 H new ATOM 728 N PRO A 48 -8.049 -1.808 -21.887 1.00 0.00 N ATOM 729 CA PRO A 48 -9.143 -2.767 -21.813 1.00 0.00 C ATOM 730 C PRO A 48 -8.838 -3.901 -20.843 1.00 0.00 C ATOM 731 O PRO A 48 -7.676 -4.174 -20.546 1.00 0.00 O ATOM 732 CB PRO A 48 -9.267 -3.288 -23.247 1.00 0.00 C ATOM 733 CG PRO A 48 -7.923 -3.079 -23.853 1.00 0.00 C ATOM 734 CD PRO A 48 -7.331 -1.876 -23.173 1.00 0.00 C ATOM 0 HA PRO A 48 -10.063 -2.316 -21.442 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.546 -4.342 -23.261 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.036 -2.747 -23.798 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.292 -3.956 -23.709 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.003 -2.917 -24.928 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.257 -1.988 -23.026 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.479 -0.971 -23.762 1.00 0.00 H new ATOM 742 N SER A 49 -9.896 -4.522 -20.333 1.00 0.00 N ATOM 743 CA SER A 49 -9.802 -5.650 -19.415 1.00 0.00 C ATOM 744 C SER A 49 -9.509 -5.194 -17.982 1.00 0.00 C ATOM 745 O SER A 49 -10.222 -5.583 -17.057 1.00 0.00 O ATOM 746 CB SER A 49 -8.769 -6.671 -19.901 1.00 0.00 C ATOM 747 OG SER A 49 -9.142 -7.207 -21.162 1.00 0.00 O ATOM 0 H SER A 49 -10.856 -4.252 -20.549 1.00 0.00 H new ATOM 0 HA SER A 49 -10.775 -6.142 -19.401 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.791 -6.196 -19.978 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.676 -7.476 -19.172 1.00 0.00 H new ATOM 0 HG SER A 49 -8.468 -7.855 -21.454 1.00 0.00 H new ATOM 753 N CYS A 50 -8.486 -4.368 -17.782 1.00 0.00 N ATOM 754 CA CYS A 50 -8.207 -3.855 -16.447 1.00 0.00 C ATOM 755 C CYS A 50 -8.928 -2.520 -16.236 1.00 0.00 C ATOM 756 O CYS A 50 -9.204 -2.122 -15.101 1.00 0.00 O ATOM 757 CB CYS A 50 -6.698 -3.711 -16.206 1.00 0.00 C ATOM 758 SG CYS A 50 -5.932 -2.276 -17.014 1.00 0.00 S ATOM 0 H CYS A 50 -7.849 -4.046 -18.511 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.583 -4.574 -15.719 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.520 -3.644 -15.133 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.200 -4.616 -16.555 1.00 0.00 H new ATOM 763 N SER A 51 -9.228 -1.844 -17.350 1.00 0.00 N ATOM 764 CA SER A 51 -10.064 -0.639 -17.360 1.00 0.00 C ATOM 765 C SER A 51 -9.382 0.547 -16.663 1.00 0.00 C ATOM 766 O SER A 51 -10.017 1.277 -15.899 1.00 0.00 O ATOM 767 CB SER A 51 -11.432 -0.939 -16.720 1.00 0.00 C ATOM 768 OG SER A 51 -12.315 0.173 -16.819 1.00 0.00 O ATOM 0 H SER A 51 -8.896 -2.119 -18.275 1.00 0.00 H new ATOM 0 HA SER A 51 -10.213 -0.349 -18.400 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.880 -1.804 -17.208 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.293 -1.201 -15.671 1.00 0.00 H new ATOM 0 HG SER A 51 -11.860 0.981 -16.503 1.00 0.00 H new ATOM 774 N LEU A 52 -8.107 0.776 -16.954 1.00 0.00 N ATOM 775 CA LEU A 52 -7.410 1.916 -16.390 1.00 0.00 C ATOM 776 C LEU A 52 -7.290 3.016 -17.435 1.00 0.00 C ATOM 777 O LEU A 52 -7.013 2.753 -18.603 1.00 0.00 O ATOM 778 CB LEU A 52 -6.029 1.517 -15.865 1.00 0.00 C ATOM 779 CG LEU A 52 -5.235 2.645 -15.195 1.00 0.00 C ATOM 780 CD1 LEU A 52 -6.006 3.228 -14.020 1.00 0.00 C ATOM 781 CD2 LEU A 52 -3.877 2.140 -14.736 1.00 0.00 C ATOM 0 H LEU A 52 -7.543 0.192 -17.571 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.988 2.290 -15.545 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.151 0.705 -15.148 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.442 1.124 -16.695 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.084 3.435 -15.931 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.422 4.026 -13.562 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.956 3.630 -14.372 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.193 2.446 -13.284 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.327 2.954 -14.263 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.013 1.330 -14.020 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.315 1.774 -15.596 1.00 0.00 H new ATOM 793 N MET A 53 -7.531 4.240 -17.012 1.00 0.00 N ATOM 794 CA MET A 53 -7.512 5.387 -17.913 1.00 0.00 C ATOM 795 C MET A 53 -6.532 6.447 -17.425 1.00 0.00 C ATOM 796 O MET A 53 -6.462 6.741 -16.230 1.00 0.00 O ATOM 797 CB MET A 53 -8.913 5.989 -18.018 1.00 0.00 C ATOM 798 CG MET A 53 -9.936 5.038 -18.607 1.00 0.00 C ATOM 799 SD MET A 53 -11.633 5.565 -18.305 1.00 0.00 S ATOM 800 CE MET A 53 -11.688 5.458 -16.517 1.00 0.00 C ATOM 0 H MET A 53 -7.745 4.473 -16.042 1.00 0.00 H new ATOM 0 HA MET A 53 -7.188 5.044 -18.896 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.243 6.297 -17.026 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.869 6.888 -18.632 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.772 4.955 -19.681 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.788 4.044 -18.184 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.710 5.258 -16.196 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.037 4.651 -16.181 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.350 6.400 -16.086 1.00 0.00 H new ATOM 810 N ILE A 54 -5.784 7.023 -18.356 1.00 0.00 N ATOM 811 CA ILE A 54 -4.819 8.068 -18.035 1.00 0.00 C ATOM 812 C ILE A 54 -4.817 9.135 -19.128 1.00 0.00 C ATOM 813 O ILE A 54 -5.128 8.854 -20.284 1.00 0.00 O ATOM 814 CB ILE A 54 -3.371 7.525 -17.845 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.718 7.159 -19.186 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.358 6.324 -16.908 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.410 6.049 -19.935 1.00 0.00 C ATOM 0 H ILE A 54 -5.827 6.783 -19.346 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.133 8.497 -17.083 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.785 8.327 -17.396 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.693 8.047 -19.818 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.683 6.868 -19.005 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.336 5.964 -16.792 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.752 6.617 -15.935 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.977 5.530 -17.326 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.882 5.856 -20.869 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.412 5.145 -19.326 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.437 6.342 -20.152 1.00 0.00 H new ATOM 829 N ASP A 55 -4.470 10.350 -18.752 1.00 0.00 N ATOM 830 CA ASP A 55 -4.460 11.482 -19.669 1.00 0.00 C ATOM 831 C ASP A 55 -3.208 11.431 -20.539 1.00 0.00 C ATOM 832 O ASP A 55 -2.152 10.986 -20.084 1.00 0.00 O ATOM 833 CB ASP A 55 -4.486 12.776 -18.855 1.00 0.00 C ATOM 834 CG ASP A 55 -4.724 14.019 -19.688 1.00 0.00 C ATOM 835 OD1 ASP A 55 -3.816 14.435 -20.430 1.00 0.00 O ATOM 836 OD2 ASP A 55 -5.815 14.619 -19.569 1.00 0.00 O ATOM 0 H ASP A 55 -4.186 10.585 -17.801 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.335 11.443 -20.318 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.267 12.702 -18.098 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.539 12.880 -18.326 1.00 0.00 H new ATOM 841 N VAL A 56 -3.318 11.873 -21.783 1.00 0.00 N ATOM 842 CA VAL A 56 -2.185 11.842 -22.699 1.00 0.00 C ATOM 843 C VAL A 56 -2.015 13.191 -23.393 1.00 0.00 C ATOM 844 O VAL A 56 -2.842 13.594 -24.203 1.00 0.00 O ATOM 845 CB VAL A 56 -2.330 10.730 -23.761 1.00 0.00 C ATOM 846 CG1 VAL A 56 -1.153 10.750 -24.727 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.459 9.363 -23.102 1.00 0.00 C ATOM 0 H VAL A 56 -4.176 12.256 -22.181 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.300 11.627 -22.101 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.241 10.922 -24.327 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.276 9.959 -25.466 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.113 11.715 -25.232 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.227 10.590 -24.175 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.560 8.597 -23.871 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.570 9.162 -22.504 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.339 9.350 -22.459 1.00 0.00 H new ATOM 857 N VAL A 57 -0.926 13.869 -23.086 1.00 0.00 N ATOM 858 CA VAL A 57 -0.688 15.215 -23.594 1.00 0.00 C ATOM 859 C VAL A 57 -0.051 15.168 -24.981 1.00 0.00 C ATOM 860 O VAL A 57 0.993 14.552 -25.170 1.00 0.00 O ATOM 861 CB VAL A 57 0.224 16.018 -22.648 1.00 0.00 C ATOM 862 CG1 VAL A 57 0.275 17.477 -23.073 1.00 0.00 C ATOM 863 CG2 VAL A 57 -0.248 15.889 -21.207 1.00 0.00 C ATOM 0 H VAL A 57 -0.185 13.511 -22.484 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.657 15.710 -23.656 1.00 0.00 H new ATOM 0 HB VAL A 57 1.232 15.608 -22.710 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.924 18.031 -22.394 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.667 17.547 -24.088 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.729 17.900 -23.042 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.410 16.464 -20.556 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.266 16.270 -21.122 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.227 14.841 -20.910 1.00 0.00 H new ATOM 873 N PHE A 58 -0.678 15.831 -25.944 1.00 0.00 N ATOM 874 CA PHE A 58 -0.218 15.788 -27.329 1.00 0.00 C ATOM 875 C PHE A 58 0.184 17.174 -27.825 1.00 0.00 C ATOM 876 O PHE A 58 -0.149 18.189 -27.208 1.00 0.00 O ATOM 877 CB PHE A 58 -1.311 15.211 -28.240 1.00 0.00 C ATOM 878 CG PHE A 58 -2.563 16.052 -28.316 1.00 0.00 C ATOM 879 CD1 PHE A 58 -2.673 17.077 -29.245 1.00 0.00 C ATOM 880 CD2 PHE A 58 -3.629 15.814 -27.466 1.00 0.00 C ATOM 881 CE1 PHE A 58 -3.819 17.846 -29.321 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.777 16.580 -27.539 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.872 17.598 -28.467 1.00 0.00 C ATOM 0 H PHE A 58 -1.507 16.406 -25.793 1.00 0.00 H new ATOM 0 HA PHE A 58 0.659 15.142 -27.364 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.905 15.092 -29.245 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.577 14.216 -27.884 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.852 17.277 -29.918 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.563 15.020 -26.737 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.889 18.641 -30.049 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.601 16.382 -26.869 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.768 18.198 -28.523 1.00 0.00 H new ATOM 893 N ASP A 59 0.900 17.202 -28.945 1.00 0.00 N ATOM 894 CA ASP A 59 1.239 18.448 -29.622 1.00 0.00 C ATOM 895 C ASP A 59 0.838 18.366 -31.081 1.00 0.00 C ATOM 896 O ASP A 59 0.801 17.279 -31.661 1.00 0.00 O ATOM 897 CB ASP A 59 2.733 18.762 -29.518 1.00 0.00 C ATOM 898 CG ASP A 59 3.017 19.938 -28.604 1.00 0.00 C ATOM 899 OD1 ASP A 59 3.211 19.720 -27.390 1.00 0.00 O ATOM 900 OD2 ASP A 59 3.030 21.088 -29.092 1.00 0.00 O ATOM 0 H ASP A 59 1.260 16.366 -29.406 1.00 0.00 H new ATOM 0 HA ASP A 59 0.691 19.252 -29.130 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.261 17.883 -29.148 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.126 18.975 -30.512 1.00 0.00 H new ATOM 905 N LYS A 60 0.550 19.515 -31.665 1.00 0.00 N ATOM 906 CA LYS A 60 0.076 19.586 -33.041 1.00 0.00 C ATOM 907 C LYS A 60 1.123 19.063 -34.020 1.00 0.00 C ATOM 908 O LYS A 60 0.792 18.376 -34.988 1.00 0.00 O ATOM 909 CB LYS A 60 -0.304 21.025 -33.391 1.00 0.00 C ATOM 910 CG LYS A 60 -1.564 21.507 -32.698 1.00 0.00 C ATOM 911 CD LYS A 60 -1.803 22.983 -32.957 1.00 0.00 C ATOM 912 CE LYS A 60 -3.171 23.428 -32.464 1.00 0.00 C ATOM 913 NZ LYS A 60 -3.417 24.871 -32.734 1.00 0.00 N ATOM 0 H LYS A 60 0.636 20.421 -31.205 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.806 18.951 -33.126 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.522 21.685 -33.125 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.440 21.104 -34.470 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.419 20.930 -33.050 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.482 21.332 -31.625 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.029 23.569 -32.461 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.719 23.183 -34.025 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.943 22.831 -32.949 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.249 23.241 -31.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.360 25.134 -32.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.695 25.443 -32.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.368 25.046 -33.758 1.00 0.00 H new ATOM 927 N GLU A 61 2.384 19.385 -33.759 1.00 0.00 N ATOM 928 CA GLU A 61 3.478 18.957 -34.622 1.00 0.00 C ATOM 929 C GLU A 61 3.622 17.436 -34.614 1.00 0.00 C ATOM 930 O GLU A 61 3.791 16.815 -35.663 1.00 0.00 O ATOM 931 CB GLU A 61 4.782 19.623 -34.182 1.00 0.00 C ATOM 932 CG GLU A 61 4.761 21.136 -34.335 1.00 0.00 C ATOM 933 CD GLU A 61 5.930 21.813 -33.650 1.00 0.00 C ATOM 934 OE1 GLU A 61 5.920 21.896 -32.405 1.00 0.00 O ATOM 935 OE2 GLU A 61 6.849 22.290 -34.352 1.00 0.00 O ATOM 0 H GLU A 61 2.675 19.942 -32.955 1.00 0.00 H new ATOM 0 HA GLU A 61 3.251 19.264 -35.643 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.977 19.372 -33.139 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.606 19.216 -34.768 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.771 21.389 -35.395 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.830 21.525 -33.923 1.00 0.00 H new ATOM 942 N ASP A 62 3.527 16.839 -33.430 1.00 0.00 N ATOM 943 CA ASP A 62 3.680 15.392 -33.290 1.00 0.00 C ATOM 944 C ASP A 62 2.517 14.654 -33.937 1.00 0.00 C ATOM 945 O ASP A 62 2.696 13.580 -34.509 1.00 0.00 O ATOM 946 CB ASP A 62 3.801 14.988 -31.819 1.00 0.00 C ATOM 947 CG ASP A 62 5.094 15.469 -31.194 1.00 0.00 C ATOM 948 OD1 ASP A 62 6.177 15.104 -31.702 1.00 0.00 O ATOM 949 OD2 ASP A 62 5.033 16.229 -30.205 1.00 0.00 O ATOM 0 H ASP A 62 3.345 17.331 -32.555 1.00 0.00 H new ATOM 0 HA ASP A 62 4.600 15.111 -33.803 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.957 15.396 -31.262 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.742 13.903 -31.737 1.00 0.00 H new ATOM 954 N LEU A 63 1.326 15.235 -33.848 1.00 0.00 N ATOM 955 CA LEU A 63 0.149 14.645 -34.471 1.00 0.00 C ATOM 956 C LEU A 63 0.338 14.541 -35.979 1.00 0.00 C ATOM 957 O LEU A 63 0.207 13.460 -36.555 1.00 0.00 O ATOM 958 CB LEU A 63 -1.104 15.467 -34.164 1.00 0.00 C ATOM 959 CG LEU A 63 -1.563 15.458 -32.705 1.00 0.00 C ATOM 960 CD1 LEU A 63 -2.875 16.212 -32.571 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.711 14.034 -32.191 1.00 0.00 C ATOM 0 H LEU A 63 1.151 16.110 -33.353 1.00 0.00 H new ATOM 0 HA LEU A 63 0.020 13.645 -34.057 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.921 16.499 -34.461 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.920 15.097 -34.785 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.805 15.956 -32.100 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.196 16.202 -31.529 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.737 17.243 -32.898 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.634 15.734 -33.189 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.038 14.055 -31.151 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.449 13.505 -32.793 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.752 13.521 -32.259 1.00 0.00 H new ATOM 973 N ALA A 64 0.667 15.670 -36.605 1.00 0.00 N ATOM 974 CA ALA A 64 0.864 15.721 -38.051 1.00 0.00 C ATOM 975 C ALA A 64 1.946 14.745 -38.492 1.00 0.00 C ATOM 976 O ALA A 64 1.799 14.052 -39.503 1.00 0.00 O ATOM 977 CB ALA A 64 1.222 17.135 -38.483 1.00 0.00 C ATOM 0 H ALA A 64 0.803 16.563 -36.131 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.070 15.429 -38.531 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.366 17.160 -39.563 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.415 17.814 -38.209 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.142 17.445 -37.987 1.00 0.00 H new ATOM 983 N GLU A 65 3.022 14.686 -37.720 1.00 0.00 N ATOM 984 CA GLU A 65 4.114 13.770 -38.004 1.00 0.00 C ATOM 985 C GLU A 65 3.628 12.329 -37.941 1.00 0.00 C ATOM 986 O GLU A 65 3.886 11.536 -38.847 1.00 0.00 O ATOM 987 CB GLU A 65 5.256 13.987 -37.010 1.00 0.00 C ATOM 988 CG GLU A 65 6.473 13.117 -37.272 1.00 0.00 C ATOM 989 CD GLU A 65 7.639 13.459 -36.371 1.00 0.00 C ATOM 990 OE1 GLU A 65 8.328 14.470 -36.643 1.00 0.00 O ATOM 991 OE2 GLU A 65 7.874 12.728 -35.386 1.00 0.00 O ATOM 0 H GLU A 65 3.161 15.264 -36.891 1.00 0.00 H new ATOM 0 HA GLU A 65 4.482 13.968 -39.011 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.557 15.034 -37.040 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.890 13.789 -36.002 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.204 12.070 -37.130 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.778 13.229 -38.312 1.00 0.00 H new ATOM 998 N TYR A 66 2.901 12.000 -36.880 1.00 0.00 N ATOM 999 CA TYR A 66 2.391 10.650 -36.700 1.00 0.00 C ATOM 1000 C TYR A 66 1.436 10.267 -37.829 1.00 0.00 C ATOM 1001 O TYR A 66 1.414 9.113 -38.256 1.00 0.00 O ATOM 1002 CB TYR A 66 1.695 10.496 -35.346 1.00 0.00 C ATOM 1003 CG TYR A 66 1.264 9.071 -35.071 1.00 0.00 C ATOM 1004 CD1 TYR A 66 2.183 8.118 -34.647 1.00 0.00 C ATOM 1005 CD2 TYR A 66 -0.053 8.671 -35.259 1.00 0.00 C ATOM 1006 CE1 TYR A 66 1.799 6.813 -34.416 1.00 0.00 C ATOM 1007 CE2 TYR A 66 -0.441 7.367 -35.034 1.00 0.00 C ATOM 1008 CZ TYR A 66 0.490 6.445 -34.613 1.00 0.00 C ATOM 1009 OH TYR A 66 0.111 5.146 -34.389 1.00 0.00 O ATOM 0 H TYR A 66 2.653 12.649 -36.134 1.00 0.00 H new ATOM 0 HA TYR A 66 3.246 9.974 -36.726 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.369 10.827 -34.556 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.822 11.148 -35.314 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.214 8.404 -34.496 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.786 9.394 -35.587 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.523 6.085 -34.082 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.468 7.071 -35.187 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.057 5.015 -33.432 1.00 0.00 H new ATOM 1019 N TYR A 67 0.655 11.231 -38.310 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.240 10.993 -39.432 1.00 0.00 C ATOM 1021 C TYR A 67 0.524 10.425 -40.624 1.00 0.00 C ATOM 1022 O TYR A 67 0.079 9.475 -41.269 1.00 0.00 O ATOM 1023 CB TYR A 67 -0.948 12.281 -39.851 1.00 0.00 C ATOM 1024 CG TYR A 67 -2.187 12.617 -39.048 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -3.326 11.829 -39.140 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -2.228 13.731 -38.221 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -4.467 12.138 -38.429 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -3.366 14.046 -37.503 1.00 0.00 C ATOM 1029 CZ TYR A 67 -4.482 13.246 -37.613 1.00 0.00 C ATOM 1030 OH TYR A 67 -5.617 13.555 -36.906 1.00 0.00 O ATOM 0 H TYR A 67 0.626 12.181 -37.939 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.986 10.268 -39.107 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.244 13.109 -39.769 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.225 12.201 -40.902 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.319 10.959 -39.779 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.356 14.362 -38.137 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.344 11.513 -38.512 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.380 14.914 -36.860 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.562 14.480 -36.586 1.00 0.00 H new ATOM 1040 N GLU A 68 1.681 11.005 -40.908 1.00 0.00 N ATOM 1041 CA GLU A 68 2.511 10.553 -42.012 1.00 0.00 C ATOM 1042 C GLU A 68 3.250 9.265 -41.641 1.00 0.00 C ATOM 1043 O GLU A 68 3.315 8.324 -42.437 1.00 0.00 O ATOM 1044 CB GLU A 68 3.496 11.652 -42.405 1.00 0.00 C ATOM 1045 CG GLU A 68 4.351 11.303 -43.610 1.00 0.00 C ATOM 1046 CD GLU A 68 5.119 12.493 -44.138 1.00 0.00 C ATOM 1047 OE1 GLU A 68 6.236 12.763 -43.643 1.00 0.00 O ATOM 1048 OE2 GLU A 68 4.608 13.167 -45.056 1.00 0.00 O ATOM 0 H GLU A 68 2.066 11.792 -40.386 1.00 0.00 H new ATOM 0 HA GLU A 68 1.872 10.336 -42.868 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.941 12.566 -42.617 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.148 11.864 -41.557 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.052 10.514 -43.338 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.714 10.905 -44.400 1.00 0.00 H new ATOM 1055 N GLU A 69 3.784 9.227 -40.423 1.00 0.00 N ATOM 1056 CA GLU A 69 4.529 8.068 -39.934 1.00 0.00 C ATOM 1057 C GLU A 69 3.681 6.797 -39.956 1.00 0.00 C ATOM 1058 O GLU A 69 4.125 5.756 -40.436 1.00 0.00 O ATOM 1059 CB GLU A 69 5.037 8.316 -38.509 1.00 0.00 C ATOM 1060 CG GLU A 69 6.224 9.262 -38.435 1.00 0.00 C ATOM 1061 CD GLU A 69 7.441 8.715 -39.149 1.00 0.00 C ATOM 1062 OE1 GLU A 69 7.976 7.677 -38.710 1.00 0.00 O ATOM 1063 OE2 GLU A 69 7.866 9.312 -40.155 1.00 0.00 O ATOM 0 H GLU A 69 3.714 9.991 -39.751 1.00 0.00 H new ATOM 0 HA GLU A 69 5.376 7.926 -40.605 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.223 8.723 -37.909 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.317 7.362 -38.062 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.949 10.221 -38.874 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.472 9.449 -37.390 1.00 0.00 H new ATOM 1070 N ALA A 70 2.465 6.887 -39.433 1.00 0.00 N ATOM 1071 CA ALA A 70 1.579 5.735 -39.361 1.00 0.00 C ATOM 1072 C ALA A 70 0.917 5.463 -40.705 1.00 0.00 C ATOM 1073 O ALA A 70 0.540 4.330 -41.000 1.00 0.00 O ATOM 1074 CB ALA A 70 0.527 5.955 -38.287 1.00 0.00 C ATOM 0 H ALA A 70 2.070 7.747 -39.052 1.00 0.00 H new ATOM 0 HA ALA A 70 2.177 4.861 -39.101 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.132 5.088 -38.240 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.015 6.093 -37.322 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.058 6.843 -38.527 1.00 0.00 H new ATOM 1080 N GLY A 71 0.791 6.498 -41.520 1.00 0.00 N ATOM 1081 CA GLY A 71 0.141 6.348 -42.805 1.00 0.00 C ATOM 1082 C GLY A 71 -1.359 6.467 -42.677 1.00 0.00 C ATOM 1083 O GLY A 71 -2.108 5.566 -43.068 1.00 0.00 O ATOM 0 H GLY A 71 1.127 7.439 -41.315 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.511 7.108 -43.493 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.396 5.379 -43.233 1.00 0.00 H new ATOM 1087 N ILE A 72 -1.790 7.578 -42.107 1.00 0.00 N ATOM 1088 CA ILE A 72 -3.198 7.823 -41.865 1.00 0.00 C ATOM 1089 C ILE A 72 -3.794 8.622 -43.019 1.00 0.00 C ATOM 1090 O ILE A 72 -3.077 9.348 -43.711 1.00 0.00 O ATOM 1091 CB ILE A 72 -3.407 8.588 -40.537 1.00 0.00 C ATOM 1092 CG1 ILE A 72 -2.532 7.976 -39.434 1.00 0.00 C ATOM 1093 CG2 ILE A 72 -4.874 8.559 -40.128 1.00 0.00 C ATOM 1094 CD1 ILE A 72 -2.688 8.635 -38.078 1.00 0.00 C ATOM 0 H ILE A 72 -1.176 8.332 -41.800 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.703 6.860 -41.791 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.113 9.627 -40.683 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.773 6.917 -39.340 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.487 8.039 -39.738 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -5.001 9.102 -39.192 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.478 9.028 -40.905 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.194 7.526 -39.995 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.035 8.143 -37.357 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.418 9.688 -38.152 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.723 8.549 -37.748 1.00 0.00 H new ATOM 1106 N HIS A 73 -5.094 8.464 -43.229 1.00 0.00 N ATOM 1107 CA HIS A 73 -5.810 9.180 -44.278 1.00 0.00 C ATOM 1108 C HIS A 73 -5.629 10.690 -44.102 1.00 0.00 C ATOM 1109 O HIS A 73 -5.635 11.180 -42.972 1.00 0.00 O ATOM 1110 CB HIS A 73 -7.296 8.806 -44.229 1.00 0.00 C ATOM 1111 CG HIS A 73 -8.048 9.126 -45.484 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -8.903 10.201 -45.599 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -8.070 8.501 -46.685 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -9.422 10.220 -46.812 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -8.930 9.203 -47.490 1.00 0.00 N ATOM 0 H HIS A 73 -5.681 7.837 -42.679 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.406 8.898 -45.250 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -7.385 7.739 -44.027 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.764 9.328 -43.394 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.515 7.616 -46.958 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -10.130 10.946 -47.185 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.153 8.974 -48.459 1.00 0.00 H new ATOM 1124 N PRO A 74 -5.430 11.428 -45.219 1.00 0.00 N ATOM 1125 CA PRO A 74 -5.192 12.875 -45.229 1.00 0.00 C ATOM 1126 C PRO A 74 -5.958 13.644 -44.150 1.00 0.00 C ATOM 1127 O PRO A 74 -7.180 13.801 -44.219 1.00 0.00 O ATOM 1128 CB PRO A 74 -5.659 13.309 -46.627 1.00 0.00 C ATOM 1129 CG PRO A 74 -5.985 12.048 -47.371 1.00 0.00 C ATOM 1130 CD PRO A 74 -5.396 10.912 -46.583 1.00 0.00 C ATOM 0 HA PRO A 74 -4.146 13.093 -45.015 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.532 13.959 -46.561 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.880 13.873 -47.140 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.063 11.928 -47.474 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.570 12.076 -48.378 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.982 9.999 -46.687 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.381 10.678 -46.904 1.00 0.00 H new ATOM 1138 N PRO A 75 -5.230 14.123 -43.133 1.00 0.00 N ATOM 1139 CA PRO A 75 -5.801 14.877 -42.020 1.00 0.00 C ATOM 1140 C PRO A 75 -6.033 16.343 -42.366 1.00 0.00 C ATOM 1141 O PRO A 75 -5.493 16.850 -43.356 1.00 0.00 O ATOM 1142 CB PRO A 75 -4.731 14.761 -40.943 1.00 0.00 C ATOM 1143 CG PRO A 75 -3.451 14.676 -41.702 1.00 0.00 C ATOM 1144 CD PRO A 75 -3.770 13.957 -42.989 1.00 0.00 C ATOM 0 HA PRO A 75 -6.778 14.493 -41.728 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.742 15.624 -40.277 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.885 13.878 -40.323 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.050 15.670 -41.901 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.696 14.136 -41.131 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.233 14.390 -43.833 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.490 12.905 -42.939 1.00 0.00 H new ATOM 1152 N GLU A 76 -6.824 17.022 -41.545 1.00 0.00 N ATOM 1153 CA GLU A 76 -7.074 18.444 -41.730 1.00 0.00 C ATOM 1154 C GLU A 76 -5.829 19.226 -41.330 1.00 0.00 C ATOM 1155 O GLU A 76 -5.385 19.155 -40.184 1.00 0.00 O ATOM 1156 CB GLU A 76 -8.269 18.894 -40.883 1.00 0.00 C ATOM 1157 CG GLU A 76 -9.551 18.133 -41.181 1.00 0.00 C ATOM 1158 CD GLU A 76 -10.730 18.633 -40.371 1.00 0.00 C ATOM 1159 OE1 GLU A 76 -10.948 18.128 -39.249 1.00 0.00 O ATOM 1160 OE2 GLU A 76 -11.448 19.533 -40.858 1.00 0.00 O ATOM 0 H GLU A 76 -7.303 16.610 -40.744 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.306 18.633 -42.778 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.022 18.773 -39.828 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.441 19.957 -41.050 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.782 18.220 -42.243 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.396 17.074 -40.974 1.00 0.00 H new ATOM 1167 N PRO A 77 -5.230 19.952 -42.284 1.00 0.00 N ATOM 1168 CA PRO A 77 -3.965 20.650 -42.067 1.00 0.00 C ATOM 1169 C PRO A 77 -4.068 21.771 -41.047 1.00 0.00 C ATOM 1170 O PRO A 77 -5.043 22.521 -41.011 1.00 0.00 O ATOM 1171 CB PRO A 77 -3.607 21.221 -43.438 1.00 0.00 C ATOM 1172 CG PRO A 77 -4.482 20.505 -44.408 1.00 0.00 C ATOM 1173 CD PRO A 77 -5.730 20.148 -43.652 1.00 0.00 C ATOM 0 HA PRO A 77 -3.214 19.970 -41.665 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.781 22.297 -43.473 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.554 21.061 -43.667 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.712 21.137 -45.266 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.990 19.612 -44.793 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.475 20.942 -43.702 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -6.199 19.246 -44.046 1.00 0.00 H new ATOM 1181 N ILE A 78 -3.038 21.880 -40.231 1.00 0.00 N ATOM 1182 CA ILE A 78 -2.962 22.920 -39.223 1.00 0.00 C ATOM 1183 C ILE A 78 -2.164 24.098 -39.758 1.00 0.00 C ATOM 1184 O ILE A 78 -1.590 24.021 -40.842 1.00 0.00 O ATOM 1185 CB ILE A 78 -2.296 22.404 -37.927 1.00 0.00 C ATOM 1186 CG1 ILE A 78 -0.891 21.867 -38.234 1.00 0.00 C ATOM 1187 CG2 ILE A 78 -3.154 21.326 -37.274 1.00 0.00 C ATOM 1188 CD1 ILE A 78 -0.125 21.405 -37.013 1.00 0.00 C ATOM 0 H ILE A 78 -2.233 21.253 -40.247 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.980 23.231 -38.988 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.206 23.234 -37.226 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.977 21.034 -38.932 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.318 22.646 -38.736 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.668 20.976 -36.363 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.132 21.739 -37.027 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.276 20.491 -37.964 1.00 0.00 H new ATOM 0 HD11 ILE A 78 0.857 21.041 -37.316 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.005 22.239 -36.322 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.674 20.602 -36.521 1.00 0.00 H new ATOM 1200 N ALA A 79 -2.134 25.183 -39.010 1.00 0.00 N ATOM 1201 CA ALA A 79 -1.318 26.329 -39.371 1.00 0.00 C ATOM 1202 C ALA A 79 -0.438 26.720 -38.197 1.00 0.00 C ATOM 1203 O ALA A 79 -0.910 27.316 -37.226 1.00 0.00 O ATOM 1204 CB ALA A 79 -2.187 27.498 -39.814 1.00 0.00 C ATOM 0 H ALA A 79 -2.665 25.297 -38.147 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.681 26.057 -40.213 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.552 28.343 -40.079 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.779 27.203 -40.680 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.853 27.785 -39.000 1.00 0.00 H new ATOM 1210 N ALA A 80 0.829 26.344 -38.270 1.00 0.00 N ATOM 1211 CA ALA A 80 1.765 26.611 -37.194 1.00 0.00 C ATOM 1212 C ALA A 80 3.116 27.035 -37.746 1.00 0.00 C ATOM 1213 O ALA A 80 3.835 26.234 -38.349 1.00 0.00 O ATOM 1214 CB ALA A 80 1.913 25.381 -36.307 1.00 0.00 C ATOM 0 H ALA A 80 1.232 25.851 -39.067 1.00 0.00 H new ATOM 0 HA ALA A 80 1.373 27.431 -36.592 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.618 25.594 -35.504 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.944 25.121 -35.880 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.283 24.546 -36.902 1.00 0.00 H new ATOM 1220 N ALA A 81 3.454 28.299 -37.548 1.00 0.00 N ATOM 1221 CA ALA A 81 4.735 28.814 -37.983 1.00 0.00 C ATOM 1222 C ALA A 81 5.775 28.568 -36.897 1.00 0.00 C ATOM 1223 O ALA A 81 6.854 28.039 -37.165 1.00 0.00 O ATOM 1224 CB ALA A 81 4.630 30.299 -38.299 1.00 0.00 C ATOM 0 H ALA A 81 2.856 28.985 -37.088 1.00 0.00 H new ATOM 0 HA ALA A 81 5.041 28.297 -38.892 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.601 30.671 -38.625 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.898 30.451 -39.093 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.315 30.840 -37.406 1.00 0.00 H new ATOM 1230 N ALA A 82 5.417 28.944 -35.668 1.00 0.00 N ATOM 1231 CA ALA A 82 6.269 28.751 -34.501 1.00 0.00 C ATOM 1232 C ALA A 82 5.513 29.152 -33.245 1.00 0.00 C ATOM 1233 O ALA A 82 4.948 28.261 -32.575 1.00 0.00 O ATOM 1234 CB ALA A 82 7.555 29.551 -34.625 1.00 0.00 C ATOM 1235 OXT ALA A 82 5.461 30.361 -32.945 1.00 0.00 O ATOM 0 H ALA A 82 4.525 29.392 -35.457 1.00 0.00 H new ATOM 0 HA ALA A 82 6.538 27.697 -34.437 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.171 29.388 -33.741 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.100 29.228 -35.512 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.317 30.611 -34.711 1.00 0.00 H new TER 1241 ALA A 82 HETATM 1242 ZN ZN A 83 -4.235 -2.970 -18.440 1.00 0.00 ZN