USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 472 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 44 THR OG1 : rot 180:sc= -2.66! USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -0.2 F(o=-3.6,f=-2.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.579 (180deg=-0.401) USER MOD Single : A 9 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.19) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.0135 X(o=-0.013,f=-0.16) USER MOD Single : A 16 GLN :FLIP amide:sc= -0.281 F(o=-2.2!,f=-0.28) USER MOD Single : A 17 SER OG : rot 180:sc= -0.651 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -148:sc= -0.296 (180deg=-1.41!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 99:sc= -0.506! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -112:sc= -2.7 (180deg=-9.17!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.278 USER MOD Single : A 52 THR OG1 : rot 33:sc= 1.33 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= -2.4 (180deg=-2.4) USER MOD Single : A 57 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.49) USER MOD Single : A 59 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 60 HIS : no HD1:sc= -0.461 K(o=-0.46,f=-1.7) USER MOD Single : A 61 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=-0.15) USER MOD Single : A 62 HIS :FLIP no HD1:sc= -0.181 F(o=-0.96,f=-0.18) USER MOD Single : A 63 HIS : no HD1:sc= -0.0875 X(o=-0.088,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.207 K(o=-0.21,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.646 13.005 23.185 1.00 1.00 N ATOM 2 CA MET A 1 11.450 12.278 22.162 1.00 1.00 C ATOM 3 C MET A 1 12.541 13.199 21.626 1.00 1.00 C ATOM 4 O MET A 1 12.720 13.326 20.414 1.00 1.00 O ATOM 5 CB MET A 1 10.534 11.833 21.019 1.00 1.00 C ATOM 6 CG MET A 1 9.379 11.004 21.583 1.00 1.00 C ATOM 7 SD MET A 1 7.898 12.036 21.705 1.00 1.00 S ATOM 8 CE MET A 1 6.769 10.917 20.840 1.00 1.00 C ATOM 0 H1 MET A 1 10.828 12.596 24.124 1.00 1.00 H new ATOM 0 H2 MET A 1 10.914 14.010 23.187 1.00 1.00 H new ATOM 0 H3 MET A 1 9.635 12.917 22.959 1.00 1.00 H new ATOM 0 HA MET A 1 11.913 11.400 22.613 1.00 1.00 H new ATOM 0 HB2 MET A 1 10.146 12.703 20.490 1.00 1.00 H new ATOM 0 HB3 MET A 1 11.098 11.245 20.295 1.00 1.00 H new ATOM 0 HG2 MET A 1 9.185 10.146 20.939 1.00 1.00 H new ATOM 0 HG3 MET A 1 9.644 10.612 22.565 1.00 1.00 H new ATOM 0 HE1 MET A 1 5.775 11.363 20.798 1.00 1.00 H new ATOM 0 HE2 MET A 1 7.132 10.745 19.827 1.00 1.00 H new ATOM 0 HE3 MET A 1 6.718 9.968 21.373 1.00 1.00 H new ATOM 20 N GLU A 2 13.266 13.841 22.536 1.00 1.00 N ATOM 21 CA GLU A 2 14.337 14.749 22.143 1.00 1.00 C ATOM 22 C GLU A 2 13.821 15.790 21.155 1.00 1.00 C ATOM 23 O GLU A 2 13.653 15.506 19.970 1.00 1.00 O ATOM 24 CB GLU A 2 15.483 13.960 21.505 1.00 1.00 C ATOM 25 CG GLU A 2 16.185 13.124 22.575 1.00 1.00 C ATOM 26 CD GLU A 2 17.164 12.154 21.921 1.00 1.00 C ATOM 27 OE1 GLU A 2 17.139 12.050 20.705 1.00 1.00 O ATOM 28 OE2 GLU A 2 17.921 11.528 22.644 1.00 1.00 O ATOM 0 H GLU A 2 13.133 13.751 23.543 1.00 1.00 H new ATOM 0 HA GLU A 2 14.700 15.260 23.035 1.00 1.00 H new ATOM 0 HB2 GLU A 2 15.098 13.313 20.717 1.00 1.00 H new ATOM 0 HB3 GLU A 2 16.193 14.643 21.038 1.00 1.00 H new ATOM 0 HG2 GLU A 2 16.716 13.777 23.268 1.00 1.00 H new ATOM 0 HG3 GLU A 2 15.448 12.572 23.158 1.00 1.00 H new ATOM 35 N GLU A 3 13.572 16.997 21.652 1.00 1.00 N ATOM 36 CA GLU A 3 13.076 18.075 20.803 1.00 1.00 C ATOM 37 C GLU A 3 13.190 19.417 21.519 1.00 1.00 C ATOM 38 O GLU A 3 12.335 19.773 22.329 1.00 1.00 O ATOM 39 CB GLU A 3 11.615 17.814 20.432 1.00 1.00 C ATOM 40 CG GLU A 3 10.988 19.101 19.890 1.00 1.00 C ATOM 41 CD GLU A 3 9.838 18.764 18.947 1.00 1.00 C ATOM 42 OE1 GLU A 3 8.819 18.298 19.431 1.00 1.00 O ATOM 43 OE2 GLU A 3 9.992 18.978 17.756 1.00 1.00 O ATOM 0 H GLU A 3 13.704 17.253 22.631 1.00 1.00 H new ATOM 0 HA GLU A 3 13.681 18.108 19.897 1.00 1.00 H new ATOM 0 HB2 GLU A 3 11.554 17.024 19.683 1.00 1.00 H new ATOM 0 HB3 GLU A 3 11.063 17.468 21.306 1.00 1.00 H new ATOM 0 HG2 GLU A 3 10.625 19.714 20.715 1.00 1.00 H new ATOM 0 HG3 GLU A 3 11.741 19.688 19.364 1.00 1.00 H new ATOM 50 N GLY A 4 14.251 20.156 21.213 1.00 1.00 N ATOM 51 CA GLY A 4 14.466 21.458 21.833 1.00 1.00 C ATOM 52 C GLY A 4 15.954 21.756 21.972 1.00 1.00 C ATOM 53 O GLY A 4 16.376 22.911 21.904 1.00 1.00 O ATOM 0 H GLY A 4 14.970 19.879 20.545 1.00 1.00 H new ATOM 0 HA2 GLY A 4 13.990 22.234 21.233 1.00 1.00 H new ATOM 0 HA3 GLY A 4 13.993 21.480 22.815 1.00 1.00 H new ATOM 57 N GLY A 5 16.748 20.707 22.166 1.00 1.00 N ATOM 58 CA GLY A 5 18.189 20.869 22.312 1.00 1.00 C ATOM 59 C GLY A 5 18.895 20.712 20.970 1.00 1.00 C ATOM 60 O GLY A 5 18.256 20.714 19.918 1.00 1.00 O ATOM 0 H GLY A 5 16.420 19.743 22.225 1.00 1.00 H new ATOM 0 HA2 GLY A 5 18.408 21.852 22.729 1.00 1.00 H new ATOM 0 HA3 GLY A 5 18.572 20.131 23.017 1.00 1.00 H new ATOM 64 N ASP A 6 20.216 20.573 21.013 1.00 1.00 N ATOM 65 CA ASP A 6 20.999 20.415 19.793 1.00 1.00 C ATOM 66 C ASP A 6 20.513 21.379 18.716 1.00 1.00 C ATOM 67 O ASP A 6 19.930 20.964 17.714 1.00 1.00 O ATOM 68 CB ASP A 6 20.884 18.977 19.282 1.00 1.00 C ATOM 69 CG ASP A 6 21.872 18.748 18.143 1.00 1.00 C ATOM 70 OD1 ASP A 6 23.020 18.454 18.432 1.00 1.00 O ATOM 71 OD2 ASP A 6 21.465 18.869 16.999 1.00 1.00 O ATOM 0 H ASP A 6 20.764 20.567 21.873 1.00 1.00 H new ATOM 0 HA ASP A 6 22.041 20.638 20.021 1.00 1.00 H new ATOM 0 HB2 ASP A 6 21.083 18.277 20.093 1.00 1.00 H new ATOM 0 HB3 ASP A 6 19.868 18.785 18.937 1.00 1.00 H new ATOM 76 N PHE A 7 20.756 22.669 18.929 1.00 1.00 N ATOM 77 CA PHE A 7 20.340 23.683 17.969 1.00 1.00 C ATOM 78 C PHE A 7 21.271 24.891 18.027 1.00 1.00 C ATOM 79 O PHE A 7 21.936 25.126 19.037 1.00 1.00 O ATOM 80 CB PHE A 7 18.906 24.128 18.269 1.00 1.00 C ATOM 81 CG PHE A 7 18.174 24.372 16.971 1.00 1.00 C ATOM 82 CD1 PHE A 7 18.283 25.611 16.328 1.00 1.00 C ATOM 83 CD2 PHE A 7 17.386 23.360 16.410 1.00 1.00 C ATOM 84 CE1 PHE A 7 17.604 25.837 15.125 1.00 1.00 C ATOM 85 CE2 PHE A 7 16.707 23.586 15.207 1.00 1.00 C ATOM 86 CZ PHE A 7 16.817 24.824 14.565 1.00 1.00 C ATOM 0 H PHE A 7 21.235 23.034 19.752 1.00 1.00 H new ATOM 0 HA PHE A 7 20.386 23.251 16.969 1.00 1.00 H new ATOM 0 HB2 PHE A 7 18.391 23.364 18.852 1.00 1.00 H new ATOM 0 HB3 PHE A 7 18.914 25.037 18.871 1.00 1.00 H new ATOM 0 HD1 PHE A 7 18.891 26.392 16.760 1.00 1.00 H new ATOM 0 HD2 PHE A 7 17.302 22.404 16.906 1.00 1.00 H new ATOM 0 HE1 PHE A 7 17.687 26.793 14.629 1.00 1.00 H new ATOM 0 HE2 PHE A 7 16.099 22.805 14.775 1.00 1.00 H new ATOM 0 HZ PHE A 7 16.294 24.998 13.636 1.00 1.00 H new ATOM 96 N ASP A 8 21.314 25.652 16.940 1.00 1.00 N ATOM 97 CA ASP A 8 22.168 26.832 16.877 1.00 1.00 C ATOM 98 C ASP A 8 23.580 26.493 17.338 1.00 1.00 C ATOM 99 O ASP A 8 24.222 27.277 18.037 1.00 1.00 O ATOM 100 CB ASP A 8 21.590 27.939 17.759 1.00 1.00 C ATOM 101 CG ASP A 8 22.018 29.303 17.231 1.00 1.00 C ATOM 102 OD1 ASP A 8 23.079 29.762 17.622 1.00 1.00 O ATOM 103 OD2 ASP A 8 21.280 29.871 16.443 1.00 1.00 O ATOM 0 H ASP A 8 20.771 25.475 16.095 1.00 1.00 H new ATOM 0 HA ASP A 8 22.209 27.177 15.844 1.00 1.00 H new ATOM 0 HB2 ASP A 8 20.502 27.871 17.776 1.00 1.00 H new ATOM 0 HB3 ASP A 8 21.933 27.813 18.786 1.00 1.00 H new ATOM 108 N ASN A 9 24.057 25.319 16.940 1.00 1.00 N ATOM 109 CA ASN A 9 25.396 24.881 17.316 1.00 1.00 C ATOM 110 C ASN A 9 26.002 24.009 16.222 1.00 1.00 C ATOM 111 O ASN A 9 26.413 22.876 16.474 1.00 1.00 O ATOM 112 CB ASN A 9 25.340 24.094 18.627 1.00 1.00 C ATOM 113 CG ASN A 9 26.740 23.953 19.212 1.00 1.00 C ATOM 114 OD1 ASN A 9 27.216 24.851 19.907 1.00 1.00 O ATOM 115 ND2 ASN A 9 27.433 22.873 18.972 1.00 1.00 N ATOM 0 H ASN A 9 23.540 24.657 16.361 1.00 1.00 H new ATOM 0 HA ASN A 9 26.022 25.763 17.449 1.00 1.00 H new ATOM 0 HB2 ASN A 9 24.690 24.603 19.338 1.00 1.00 H new ATOM 0 HB3 ASN A 9 24.910 23.108 18.451 1.00 1.00 H new ATOM 0 HD21 ASN A 9 28.371 22.772 19.361 1.00 1.00 H new ATOM 0 HD22 ASN A 9 27.037 22.130 18.396 1.00 1.00 H new ATOM 122 N TYR A 10 26.054 24.544 15.006 1.00 1.00 N ATOM 123 CA TYR A 10 26.610 23.808 13.882 1.00 1.00 C ATOM 124 C TYR A 10 26.964 24.759 12.743 1.00 1.00 C ATOM 125 O TYR A 10 26.339 24.735 11.683 1.00 1.00 O ATOM 126 CB TYR A 10 25.602 22.770 13.389 1.00 1.00 C ATOM 127 CG TYR A 10 25.726 21.513 14.218 1.00 1.00 C ATOM 128 CD1 TYR A 10 26.779 20.621 13.983 1.00 1.00 C ATOM 129 CD2 TYR A 10 24.788 21.241 15.220 1.00 1.00 C ATOM 130 CE1 TYR A 10 26.894 19.456 14.751 1.00 1.00 C ATOM 131 CE2 TYR A 10 24.902 20.076 15.989 1.00 1.00 C ATOM 132 CZ TYR A 10 25.956 19.184 15.754 1.00 1.00 C ATOM 133 OH TYR A 10 26.068 18.036 16.512 1.00 1.00 O ATOM 0 H TYR A 10 25.719 25.480 14.777 1.00 1.00 H new ATOM 0 HA TYR A 10 27.517 23.303 14.214 1.00 1.00 H new ATOM 0 HB2 TYR A 10 24.590 23.168 13.461 1.00 1.00 H new ATOM 0 HB3 TYR A 10 25.781 22.544 12.338 1.00 1.00 H new ATOM 0 HD1 TYR A 10 27.503 20.831 13.209 1.00 1.00 H new ATOM 0 HD2 TYR A 10 23.976 21.930 15.400 1.00 1.00 H new ATOM 0 HE1 TYR A 10 27.706 18.767 14.570 1.00 1.00 H new ATOM 0 HE2 TYR A 10 24.178 19.866 16.762 1.00 1.00 H new ATOM 0 HH TYR A 10 25.337 18.002 17.164 1.00 1.00 H new ATOM 143 N TYR A 11 27.973 25.594 12.968 1.00 1.00 N ATOM 144 CA TYR A 11 28.403 26.549 11.954 1.00 1.00 C ATOM 145 C TYR A 11 28.770 25.829 10.661 1.00 1.00 C ATOM 146 O TYR A 11 28.564 24.622 10.531 1.00 1.00 O ATOM 147 CB TYR A 11 29.610 27.341 12.459 1.00 1.00 C ATOM 148 CG TYR A 11 29.208 28.160 13.663 1.00 1.00 C ATOM 149 CD1 TYR A 11 29.156 27.565 14.928 1.00 1.00 C ATOM 150 CD2 TYR A 11 28.887 29.514 13.512 1.00 1.00 C ATOM 151 CE1 TYR A 11 28.782 28.324 16.044 1.00 1.00 C ATOM 152 CE2 TYR A 11 28.514 30.274 14.627 1.00 1.00 C ATOM 153 CZ TYR A 11 28.461 29.678 15.893 1.00 1.00 C ATOM 154 OH TYR A 11 28.093 30.426 16.993 1.00 1.00 O ATOM 0 H TYR A 11 28.505 25.629 13.838 1.00 1.00 H new ATOM 0 HA TYR A 11 27.578 27.233 11.754 1.00 1.00 H new ATOM 0 HB2 TYR A 11 30.420 26.661 12.723 1.00 1.00 H new ATOM 0 HB3 TYR A 11 29.986 27.994 11.671 1.00 1.00 H new ATOM 0 HD1 TYR A 11 29.404 26.520 15.044 1.00 1.00 H new ATOM 0 HD2 TYR A 11 28.927 29.973 12.535 1.00 1.00 H new ATOM 0 HE1 TYR A 11 28.741 27.865 17.021 1.00 1.00 H new ATOM 0 HE2 TYR A 11 28.267 31.319 14.511 1.00 1.00 H new ATOM 0 HH TYR A 11 27.904 31.346 16.714 1.00 1.00 H new ATOM 164 N GLY A 12 29.314 26.577 9.706 1.00 1.00 N ATOM 165 CA GLY A 12 29.706 25.998 8.427 1.00 1.00 C ATOM 166 C GLY A 12 31.175 25.588 8.440 1.00 1.00 C ATOM 167 O GLY A 12 31.979 26.099 7.662 1.00 1.00 O ATOM 0 H GLY A 12 29.492 27.578 9.793 1.00 1.00 H new ATOM 0 HA2 GLY A 12 29.084 25.129 8.211 1.00 1.00 H new ATOM 0 HA3 GLY A 12 29.533 26.720 7.629 1.00 1.00 H new ATOM 171 N ALA A 13 31.517 24.663 9.330 1.00 1.00 N ATOM 172 CA ALA A 13 32.893 24.192 9.437 1.00 1.00 C ATOM 173 C ALA A 13 33.162 23.091 8.416 1.00 1.00 C ATOM 174 O ALA A 13 33.685 22.029 8.756 1.00 1.00 O ATOM 175 CB ALA A 13 33.155 23.658 10.847 1.00 1.00 C ATOM 0 H ALA A 13 30.866 24.227 9.983 1.00 1.00 H new ATOM 0 HA ALA A 13 33.561 25.030 9.237 1.00 1.00 H new ATOM 0 HB1 ALA A 13 34.185 23.308 10.918 1.00 1.00 H new ATOM 0 HB2 ALA A 13 32.991 24.454 11.574 1.00 1.00 H new ATOM 0 HB3 ALA A 13 32.476 22.831 11.055 1.00 1.00 H new ATOM 181 N ASP A 14 32.802 23.351 7.164 1.00 1.00 N ATOM 182 CA ASP A 14 33.010 22.374 6.100 1.00 1.00 C ATOM 183 C ASP A 14 34.398 22.537 5.487 1.00 1.00 C ATOM 184 O ASP A 14 34.542 22.612 4.267 1.00 1.00 O ATOM 185 CB ASP A 14 31.946 22.549 5.015 1.00 1.00 C ATOM 186 CG ASP A 14 30.563 22.641 5.651 1.00 1.00 C ATOM 187 OD1 ASP A 14 30.245 23.693 6.180 1.00 1.00 O ATOM 188 OD2 ASP A 14 29.842 21.658 5.598 1.00 1.00 O ATOM 0 H ASP A 14 32.368 24.223 6.862 1.00 1.00 H new ATOM 0 HA ASP A 14 32.930 21.375 6.528 1.00 1.00 H new ATOM 0 HB2 ASP A 14 32.150 23.450 4.436 1.00 1.00 H new ATOM 0 HB3 ASP A 14 31.981 21.709 4.321 1.00 1.00 H new ATOM 193 N ASN A 15 35.414 22.589 6.341 1.00 1.00 N ATOM 194 CA ASN A 15 36.786 22.743 5.871 1.00 1.00 C ATOM 195 C ASN A 15 37.757 22.030 6.809 1.00 1.00 C ATOM 196 O ASN A 15 38.771 22.597 7.215 1.00 1.00 O ATOM 197 CB ASN A 15 37.148 24.228 5.792 1.00 1.00 C ATOM 198 CG ASN A 15 38.218 24.446 4.728 1.00 1.00 C ATOM 199 OD1 ASN A 15 38.019 24.096 3.564 1.00 1.00 O ATOM 200 ND2 ASN A 15 39.349 25.007 5.058 1.00 1.00 N ATOM 0 H ASN A 15 35.315 22.527 7.354 1.00 1.00 H new ATOM 0 HA ASN A 15 36.862 22.297 4.879 1.00 1.00 H new ATOM 0 HB2 ASN A 15 36.261 24.815 5.554 1.00 1.00 H new ATOM 0 HB3 ASN A 15 37.509 24.575 6.760 1.00 1.00 H new ATOM 0 HD21 ASN A 15 40.070 25.156 4.352 1.00 1.00 H new ATOM 0 HD22 ASN A 15 39.512 25.296 6.022 1.00 1.00 H new ATOM 207 N GLN A 16 37.437 20.786 7.148 1.00 1.00 N ATOM 208 CA GLN A 16 38.289 20.005 8.037 1.00 1.00 C ATOM 209 C GLN A 16 39.442 19.377 7.261 1.00 1.00 C ATOM 210 O GLN A 16 40.472 19.028 7.837 1.00 1.00 O ATOM 211 CB GLN A 16 37.468 18.905 8.714 1.00 1.00 C ATOM 212 CG GLN A 16 36.664 18.145 7.657 1.00 1.00 C ATOM 213 CD GLN A 16 35.209 18.603 7.681 1.00 1.00 C ATOM 214 OE1 GLN A 16 34.755 19.351 6.712 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 34.468 18.272 8.606 1.00 1.00 N flip ATOM 0 H GLN A 16 36.601 20.300 6.824 1.00 1.00 H new ATOM 0 HA GLN A 16 38.698 20.672 8.796 1.00 1.00 H new ATOM 0 HB2 GLN A 16 38.127 18.220 9.247 1.00 1.00 H new ATOM 0 HB3 GLN A 16 36.796 19.341 9.454 1.00 1.00 H new ATOM 0 HG2 GLN A 16 37.092 18.317 6.669 1.00 1.00 H new ATOM 0 HG3 GLN A 16 36.720 17.073 7.847 1.00 1.00 H new ATOM 0 HE21 GLN A 16 34.825 17.688 9.362 1.00 1.00 H new ATOM 0 HE22 GLN A 16 33.496 18.582 8.617 1.00 1.00 H new ATOM 224 N SER A 17 39.261 19.239 5.951 1.00 1.00 N ATOM 225 CA SER A 17 40.294 18.652 5.106 1.00 1.00 C ATOM 226 C SER A 17 40.876 17.401 5.759 1.00 1.00 C ATOM 227 O SER A 17 40.357 16.916 6.765 1.00 1.00 O ATOM 228 CB SER A 17 41.409 19.668 4.863 1.00 1.00 C ATOM 229 OG SER A 17 42.562 19.285 5.602 1.00 1.00 O ATOM 0 H SER A 17 38.416 19.523 5.455 1.00 1.00 H new ATOM 0 HA SER A 17 39.842 18.374 4.154 1.00 1.00 H new ATOM 0 HB2 SER A 17 41.645 19.720 3.800 1.00 1.00 H new ATOM 0 HB3 SER A 17 41.083 20.663 5.166 1.00 1.00 H new ATOM 0 HG SER A 17 43.280 19.934 5.447 1.00 1.00 H new ATOM 235 N GLU A 18 41.955 16.885 5.181 1.00 1.00 N ATOM 236 CA GLU A 18 42.599 15.691 5.717 1.00 1.00 C ATOM 237 C GLU A 18 43.728 16.073 6.670 1.00 1.00 C ATOM 238 O GLU A 18 44.288 17.165 6.578 1.00 1.00 O ATOM 239 CB GLU A 18 43.159 14.843 4.573 1.00 1.00 C ATOM 240 CG GLU A 18 42.049 13.958 4.003 1.00 1.00 C ATOM 241 CD GLU A 18 40.849 14.814 3.613 1.00 1.00 C ATOM 242 OE1 GLU A 18 41.048 15.799 2.921 1.00 1.00 O ATOM 243 OE2 GLU A 18 39.748 14.472 4.013 1.00 1.00 O ATOM 0 H GLU A 18 42.400 17.271 4.348 1.00 1.00 H new ATOM 0 HA GLU A 18 41.855 15.114 6.267 1.00 1.00 H new ATOM 0 HB2 GLU A 18 43.562 15.488 3.792 1.00 1.00 H new ATOM 0 HB3 GLU A 18 43.982 14.226 4.933 1.00 1.00 H new ATOM 0 HG2 GLU A 18 42.417 13.414 3.133 1.00 1.00 H new ATOM 0 HG3 GLU A 18 41.751 13.214 4.741 1.00 1.00 H new ATOM 250 N CYS A 19 44.056 15.165 7.584 1.00 1.00 N ATOM 251 CA CYS A 19 45.119 15.418 8.549 1.00 1.00 C ATOM 252 C CYS A 19 45.362 14.185 9.414 1.00 1.00 C ATOM 253 O CYS A 19 44.528 13.282 9.472 1.00 1.00 O ATOM 254 CB CYS A 19 44.745 16.604 9.439 1.00 1.00 C ATOM 255 SG CYS A 19 43.074 16.364 10.093 1.00 1.00 S ATOM 0 H CYS A 19 43.605 14.255 7.676 1.00 1.00 H new ATOM 0 HA CYS A 19 46.033 15.649 8.002 1.00 1.00 H new ATOM 0 HB2 CYS A 19 45.458 16.697 10.258 1.00 1.00 H new ATOM 0 HB3 CYS A 19 44.794 17.531 8.868 1.00 1.00 H new ATOM 0 HG CYS A 19 42.756 17.371 10.852 1.00 1.00 H new ATOM 261 N GLU A 20 46.509 14.156 10.085 1.00 1.00 N ATOM 262 CA GLU A 20 46.852 13.030 10.944 1.00 1.00 C ATOM 263 C GLU A 20 46.786 11.721 10.165 1.00 1.00 C ATOM 264 O GLU A 20 46.923 10.639 10.736 1.00 1.00 O ATOM 265 CB GLU A 20 45.890 12.968 12.132 1.00 1.00 C ATOM 266 CG GLU A 20 46.019 14.247 12.962 1.00 1.00 C ATOM 267 CD GLU A 20 44.646 14.687 13.457 1.00 1.00 C ATOM 268 OE1 GLU A 20 43.812 13.823 13.677 1.00 1.00 O ATOM 269 OE2 GLU A 20 44.448 15.881 13.610 1.00 1.00 O ATOM 0 H GLU A 20 47.212 14.894 10.051 1.00 1.00 H new ATOM 0 HA GLU A 20 47.870 13.172 11.307 1.00 1.00 H new ATOM 0 HB2 GLU A 20 44.865 12.854 11.778 1.00 1.00 H new ATOM 0 HB3 GLU A 20 46.113 12.098 12.749 1.00 1.00 H new ATOM 0 HG2 GLU A 20 46.683 14.075 13.810 1.00 1.00 H new ATOM 0 HG3 GLU A 20 46.468 15.037 12.360 1.00 1.00 H new ATOM 276 N TYR A 21 46.575 11.826 8.856 1.00 1.00 N ATOM 277 CA TYR A 21 46.493 10.642 8.009 1.00 1.00 C ATOM 278 C TYR A 21 47.869 10.006 7.843 1.00 1.00 C ATOM 279 O TYR A 21 48.069 9.151 6.980 1.00 1.00 O ATOM 280 CB TYR A 21 45.933 11.020 6.636 1.00 1.00 C ATOM 281 CG TYR A 21 47.020 11.661 5.807 1.00 1.00 C ATOM 282 CD1 TYR A 21 47.403 12.984 6.058 1.00 1.00 C ATOM 283 CD2 TYR A 21 47.645 10.932 4.788 1.00 1.00 C ATOM 284 CE1 TYR A 21 48.411 13.578 5.289 1.00 1.00 C ATOM 285 CE2 TYR A 21 48.653 11.526 4.019 1.00 1.00 C ATOM 286 CZ TYR A 21 49.037 12.849 4.269 1.00 1.00 C ATOM 287 OH TYR A 21 50.029 13.435 3.510 1.00 1.00 O ATOM 0 H TYR A 21 46.459 12.711 8.363 1.00 1.00 H new ATOM 0 HA TYR A 21 45.828 9.922 8.486 1.00 1.00 H new ATOM 0 HB2 TYR A 21 45.551 10.133 6.131 1.00 1.00 H new ATOM 0 HB3 TYR A 21 45.095 11.708 6.750 1.00 1.00 H new ATOM 0 HD1 TYR A 21 46.921 13.546 6.844 1.00 1.00 H new ATOM 0 HD2 TYR A 21 47.349 9.911 4.595 1.00 1.00 H new ATOM 0 HE1 TYR A 21 48.706 14.599 5.482 1.00 1.00 H new ATOM 0 HE2 TYR A 21 49.134 10.964 3.233 1.00 1.00 H new ATOM 0 HH TYR A 21 50.358 12.791 2.848 1.00 1.00 H new ATOM 297 N THR A 22 48.815 10.430 8.674 1.00 1.00 N ATOM 298 CA THR A 22 50.170 9.893 8.611 1.00 1.00 C ATOM 299 C THR A 22 50.316 8.701 9.550 1.00 1.00 C ATOM 300 O THR A 22 50.805 7.642 9.155 1.00 1.00 O ATOM 301 CB THR A 22 51.179 10.977 8.996 1.00 1.00 C ATOM 302 OG1 THR A 22 51.350 11.871 7.905 1.00 1.00 O ATOM 303 CG2 THR A 22 52.521 10.329 9.343 1.00 1.00 C ATOM 0 H THR A 22 48.671 11.138 9.394 1.00 1.00 H new ATOM 0 HA THR A 22 50.365 9.563 7.591 1.00 1.00 H new ATOM 0 HB THR A 22 50.810 11.526 9.862 1.00 1.00 H new ATOM 0 HG1 THR A 22 51.995 12.567 8.150 1.00 1.00 H new ATOM 0 HG21 THR A 22 53.238 11.102 9.617 1.00 1.00 H new ATOM 0 HG22 THR A 22 52.389 9.644 10.180 1.00 1.00 H new ATOM 0 HG23 THR A 22 52.893 9.778 8.479 1.00 1.00 H new ATOM 311 N ASP A 23 49.888 8.881 10.797 1.00 1.00 N ATOM 312 CA ASP A 23 49.975 7.814 11.787 1.00 1.00 C ATOM 313 C ASP A 23 48.603 7.191 12.023 1.00 1.00 C ATOM 314 O ASP A 23 48.318 6.686 13.109 1.00 1.00 O ATOM 315 CB ASP A 23 50.517 8.368 13.106 1.00 1.00 C ATOM 316 CG ASP A 23 51.359 7.309 13.810 1.00 1.00 C ATOM 317 OD1 ASP A 23 51.102 6.137 13.595 1.00 1.00 O ATOM 318 OD2 ASP A 23 52.247 7.688 14.556 1.00 1.00 O ATOM 0 H ASP A 23 49.480 9.750 11.143 1.00 1.00 H new ATOM 0 HA ASP A 23 50.652 7.047 11.409 1.00 1.00 H new ATOM 0 HB2 ASP A 23 51.119 9.256 12.917 1.00 1.00 H new ATOM 0 HB3 ASP A 23 49.691 8.674 13.748 1.00 1.00 H new ATOM 323 N TRP A 24 47.756 7.231 10.998 1.00 1.00 N ATOM 324 CA TRP A 24 46.415 6.667 11.104 1.00 1.00 C ATOM 325 C TRP A 24 46.469 5.240 11.648 1.00 1.00 C ATOM 326 O TRP A 24 46.647 5.031 12.847 1.00 1.00 O ATOM 327 CB TRP A 24 45.731 6.677 9.733 1.00 1.00 C ATOM 328 CG TRP A 24 46.730 6.390 8.652 1.00 1.00 C ATOM 329 CD1 TRP A 24 47.880 5.697 8.811 1.00 1.00 C ATOM 330 CD2 TRP A 24 46.677 6.782 7.250 1.00 1.00 C ATOM 331 NE1 TRP A 24 48.538 5.637 7.595 1.00 1.00 N ATOM 332 CE2 TRP A 24 47.835 6.291 6.602 1.00 1.00 C ATOM 333 CE3 TRP A 24 45.746 7.507 6.485 1.00 1.00 C ATOM 334 CZ2 TRP A 24 48.061 6.512 5.243 1.00 1.00 C ATOM 335 CZ3 TRP A 24 45.970 7.731 5.117 1.00 1.00 C ATOM 336 CH2 TRP A 24 47.126 7.235 4.497 1.00 1.00 C ATOM 0 H TRP A 24 47.973 7.645 10.091 1.00 1.00 H new ATOM 0 HA TRP A 24 45.839 7.280 11.797 1.00 1.00 H new ATOM 0 HB2 TRP A 24 44.936 5.932 9.710 1.00 1.00 H new ATOM 0 HB3 TRP A 24 45.264 7.647 9.559 1.00 1.00 H new ATOM 0 HD1 TRP A 24 48.228 5.261 9.736 1.00 1.00 H new ATOM 0 HE1 TRP A 24 49.432 5.168 7.450 1.00 1.00 H new ATOM 0 HE3 TRP A 24 44.853 7.894 6.953 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 48.953 6.127 4.771 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 45.248 8.288 4.539 1.00 1.00 H new ATOM 0 HH2 TRP A 24 47.293 7.411 3.445 1.00 1.00 H new ATOM 347 N LYS A 25 46.314 4.263 10.760 1.00 1.00 N ATOM 348 CA LYS A 25 46.350 2.863 11.166 1.00 1.00 C ATOM 349 C LYS A 25 47.692 2.530 11.810 1.00 1.00 C ATOM 350 O LYS A 25 48.049 3.085 12.849 1.00 1.00 O ATOM 351 CB LYS A 25 46.124 1.956 9.953 1.00 1.00 C ATOM 352 CG LYS A 25 47.088 2.351 8.829 1.00 1.00 C ATOM 353 CD LYS A 25 46.355 3.172 7.759 1.00 1.00 C ATOM 354 CE LYS A 25 45.638 2.231 6.786 1.00 1.00 C ATOM 355 NZ LYS A 25 46.635 1.341 6.129 1.00 1.00 N ATOM 0 H LYS A 25 46.163 4.413 9.762 1.00 1.00 H new ATOM 0 HA LYS A 25 45.556 2.695 11.894 1.00 1.00 H new ATOM 0 HB2 LYS A 25 46.281 0.914 10.231 1.00 1.00 H new ATOM 0 HB3 LYS A 25 45.093 2.042 9.609 1.00 1.00 H new ATOM 0 HG2 LYS A 25 47.915 2.931 9.238 1.00 1.00 H new ATOM 0 HG3 LYS A 25 47.518 1.456 8.379 1.00 1.00 H new ATOM 0 HD2 LYS A 25 45.635 3.841 8.230 1.00 1.00 H new ATOM 0 HD3 LYS A 25 47.065 3.798 7.218 1.00 1.00 H new ATOM 0 HE2 LYS A 25 44.898 1.634 7.319 1.00 1.00 H new ATOM 0 HE3 LYS A 25 45.100 2.809 6.035 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 46.317 1.116 5.165 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 47.556 1.823 6.087 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 46.729 0.462 6.676 1.00 1.00 H new ATOM 369 N SER A 26 48.431 1.618 11.186 1.00 1.00 N ATOM 370 CA SER A 26 49.733 1.218 11.705 1.00 1.00 C ATOM 371 C SER A 26 49.599 0.705 13.134 1.00 1.00 C ATOM 372 O SER A 26 50.335 1.127 14.027 1.00 1.00 O ATOM 373 CB SER A 26 50.699 2.403 11.672 1.00 1.00 C ATOM 374 OG SER A 26 50.773 2.910 10.345 1.00 1.00 O ATOM 0 H SER A 26 48.153 1.145 10.326 1.00 1.00 H new ATOM 0 HA SER A 26 50.125 0.418 11.077 1.00 1.00 H new ATOM 0 HB2 SER A 26 50.360 3.183 12.354 1.00 1.00 H new ATOM 0 HB3 SER A 26 51.687 2.091 12.011 1.00 1.00 H new ATOM 0 HG SER A 26 51.390 3.671 10.319 1.00 1.00 H new ATOM 380 N SER A 27 48.651 -0.203 13.341 1.00 1.00 N ATOM 381 CA SER A 27 48.419 -0.766 14.664 1.00 1.00 C ATOM 382 C SER A 27 47.603 0.202 15.510 1.00 1.00 C ATOM 383 O SER A 27 46.946 -0.195 16.472 1.00 1.00 O ATOM 384 CB SER A 27 49.751 -1.057 15.356 1.00 1.00 C ATOM 385 OG SER A 27 50.746 -1.305 14.371 1.00 1.00 O ATOM 0 H SER A 27 48.034 -0.563 12.613 1.00 1.00 H new ATOM 0 HA SER A 27 47.865 -1.698 14.552 1.00 1.00 H new ATOM 0 HB2 SER A 27 50.043 -0.212 15.980 1.00 1.00 H new ATOM 0 HB3 SER A 27 49.651 -1.920 16.015 1.00 1.00 H new ATOM 0 HG SER A 27 51.277 -0.494 14.231 1.00 1.00 H new ATOM 391 N GLY A 28 47.647 1.477 15.141 1.00 1.00 N ATOM 392 CA GLY A 28 46.904 2.496 15.872 1.00 1.00 C ATOM 393 C GLY A 28 45.448 2.082 16.042 1.00 1.00 C ATOM 394 O GLY A 28 44.699 2.705 16.794 1.00 1.00 O ATOM 0 H GLY A 28 48.184 1.827 14.348 1.00 1.00 H new ATOM 0 HA2 GLY A 28 47.359 2.654 16.850 1.00 1.00 H new ATOM 0 HA3 GLY A 28 46.958 3.445 15.339 1.00 1.00 H new ATOM 398 N ALA A 29 45.055 1.026 15.338 1.00 1.00 N ATOM 399 CA ALA A 29 43.684 0.535 15.418 1.00 1.00 C ATOM 400 C ALA A 29 43.448 -0.192 16.739 1.00 1.00 C ATOM 401 O ALA A 29 42.575 -1.056 16.831 1.00 1.00 O ATOM 402 CB ALA A 29 43.402 -0.415 14.254 1.00 1.00 C ATOM 0 H ALA A 29 45.661 0.497 14.710 1.00 1.00 H new ATOM 0 HA ALA A 29 43.009 1.389 15.363 1.00 1.00 H new ATOM 0 HB1 ALA A 29 42.376 -0.778 14.321 1.00 1.00 H new ATOM 0 HB2 ALA A 29 43.539 0.114 13.311 1.00 1.00 H new ATOM 0 HB3 ALA A 29 44.089 -1.260 14.299 1.00 1.00 H new ATOM 408 N LEU A 30 44.227 0.166 17.758 1.00 1.00 N ATOM 409 CA LEU A 30 44.089 -0.456 19.073 1.00 1.00 C ATOM 410 C LEU A 30 43.505 0.535 20.075 1.00 1.00 C ATOM 411 O LEU A 30 42.766 0.151 20.981 1.00 1.00 O ATOM 412 CB LEU A 30 45.454 -0.939 19.576 1.00 1.00 C ATOM 413 CG LEU A 30 45.855 -2.226 18.848 1.00 1.00 C ATOM 414 CD1 LEU A 30 47.381 -2.335 18.805 1.00 1.00 C ATOM 415 CD2 LEU A 30 45.290 -3.442 19.592 1.00 1.00 C ATOM 0 H LEU A 30 44.955 0.878 17.700 1.00 1.00 H new ATOM 0 HA LEU A 30 43.415 -1.307 18.978 1.00 1.00 H new ATOM 0 HB2 LEU A 30 46.206 -0.168 19.409 1.00 1.00 H new ATOM 0 HB3 LEU A 30 45.413 -1.117 20.651 1.00 1.00 H new ATOM 0 HG LEU A 30 45.456 -2.200 17.834 1.00 1.00 H new ATOM 0 HD11 LEU A 30 47.666 -3.251 18.287 1.00 1.00 H new ATOM 0 HD12 LEU A 30 47.792 -1.476 18.276 1.00 1.00 H new ATOM 0 HD13 LEU A 30 47.773 -2.356 19.822 1.00 1.00 H new ATOM 0 HD21 LEU A 30 45.578 -4.354 19.070 1.00 1.00 H new ATOM 0 HD22 LEU A 30 45.687 -3.464 20.607 1.00 1.00 H new ATOM 0 HD23 LEU A 30 44.203 -3.373 19.629 1.00 1.00 H new ATOM 427 N ILE A 31 43.842 1.810 19.908 1.00 1.00 N ATOM 428 CA ILE A 31 43.345 2.843 20.809 1.00 1.00 C ATOM 429 C ILE A 31 41.828 3.008 20.662 1.00 1.00 C ATOM 430 O ILE A 31 41.123 3.170 21.658 1.00 1.00 O ATOM 431 CB ILE A 31 44.080 4.172 20.538 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.092 4.433 21.667 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.098 5.354 20.441 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.372 4.820 22.965 1.00 1.00 C ATOM 0 H ILE A 31 44.451 2.150 19.164 1.00 1.00 H new ATOM 0 HA ILE A 31 43.544 2.542 21.837 1.00 1.00 H new ATOM 0 HB ILE A 31 44.596 4.086 19.582 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.696 3.541 21.833 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.774 5.230 21.373 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.652 6.273 20.250 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.396 5.178 19.626 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.550 5.450 21.378 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.107 5.000 23.749 1.00 1.00 H new ATOM 0 HD12 ILE A 31 43.788 5.725 22.801 1.00 1.00 H new ATOM 0 HD13 ILE A 31 43.709 4.010 23.268 1.00 1.00 H new ATOM 446 N PRO A 32 41.313 2.969 19.456 1.00 1.00 N ATOM 447 CA PRO A 32 39.846 3.117 19.212 1.00 1.00 C ATOM 448 C PRO A 32 39.039 2.051 19.947 1.00 1.00 C ATOM 449 O PRO A 32 37.839 2.212 20.171 1.00 1.00 O ATOM 450 CB PRO A 32 39.700 2.962 17.693 1.00 1.00 C ATOM 451 CG PRO A 32 41.058 3.216 17.130 1.00 1.00 C ATOM 452 CD PRO A 32 42.053 2.781 18.201 1.00 1.00 C ATOM 0 HA PRO A 32 39.467 4.071 19.578 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.349 1.963 17.433 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.972 3.669 17.295 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.208 2.654 16.208 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.186 4.270 16.885 1.00 1.00 H new ATOM 0 HD2 PRO A 32 42.358 1.743 18.067 1.00 1.00 H new ATOM 0 HD3 PRO A 32 42.960 3.386 18.176 1.00 1.00 H new ATOM 460 N ALA A 33 39.706 0.964 20.320 1.00 1.00 N ATOM 461 CA ALA A 33 39.043 -0.122 21.031 1.00 1.00 C ATOM 462 C ALA A 33 39.026 0.155 22.529 1.00 1.00 C ATOM 463 O ALA A 33 38.473 -0.620 23.309 1.00 1.00 O ATOM 464 CB ALA A 33 39.766 -1.442 20.762 1.00 1.00 C ATOM 0 H ALA A 33 40.699 0.812 20.143 1.00 1.00 H new ATOM 0 HA ALA A 33 38.016 -0.193 20.673 1.00 1.00 H new ATOM 0 HB1 ALA A 33 39.264 -2.248 21.297 1.00 1.00 H new ATOM 0 HB2 ALA A 33 39.752 -1.653 19.693 1.00 1.00 H new ATOM 0 HB3 ALA A 33 40.798 -1.368 21.104 1.00 1.00 H new ATOM 470 N ILE A 34 39.628 1.271 22.918 1.00 1.00 N ATOM 471 CA ILE A 34 39.674 1.660 24.321 1.00 1.00 C ATOM 472 C ILE A 34 38.757 2.855 24.545 1.00 1.00 C ATOM 473 O ILE A 34 38.408 3.185 25.678 1.00 1.00 O ATOM 474 CB ILE A 34 41.105 2.025 24.719 1.00 1.00 C ATOM 475 CG1 ILE A 34 42.077 1.016 24.102 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.239 1.994 26.242 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.502 1.334 24.559 1.00 1.00 C ATOM 0 H ILE A 34 40.090 1.922 22.283 1.00 1.00 H new ATOM 0 HA ILE A 34 39.340 0.824 24.936 1.00 1.00 H new ATOM 0 HB ILE A 34 41.337 3.026 24.356 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.805 0.004 24.401 1.00 1.00 H new ATOM 0 HG13 ILE A 34 42.016 1.054 23.014 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.260 2.254 26.523 1.00 1.00 H new ATOM 0 HG22 ILE A 34 40.547 2.712 26.683 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.006 0.994 26.607 1.00 1.00 H new ATOM 0 HD11 ILE A 34 44.194 0.615 24.120 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.771 2.340 24.238 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.558 1.273 25.646 1.00 1.00 H new ATOM 489 N TYR A 35 38.372 3.497 23.448 1.00 1.00 N ATOM 490 CA TYR A 35 37.495 4.658 23.517 1.00 1.00 C ATOM 491 C TYR A 35 36.101 4.256 23.980 1.00 1.00 C ATOM 492 O TYR A 35 35.531 4.889 24.869 1.00 1.00 O ATOM 493 CB TYR A 35 37.406 5.327 22.145 1.00 1.00 C ATOM 494 CG TYR A 35 37.731 6.795 22.274 1.00 1.00 C ATOM 495 CD1 TYR A 35 36.808 7.667 22.866 1.00 1.00 C ATOM 496 CD2 TYR A 35 38.954 7.286 21.803 1.00 1.00 C ATOM 497 CE1 TYR A 35 37.109 9.028 22.985 1.00 1.00 C ATOM 498 CE2 TYR A 35 39.255 8.648 21.921 1.00 1.00 C ATOM 499 CZ TYR A 35 38.332 9.520 22.513 1.00 1.00 C ATOM 500 OH TYR A 35 38.628 10.863 22.630 1.00 1.00 O ATOM 0 H TYR A 35 38.653 3.234 22.503 1.00 1.00 H new ATOM 0 HA TYR A 35 37.913 5.360 24.238 1.00 1.00 H new ATOM 0 HB2 TYR A 35 38.099 4.851 21.452 1.00 1.00 H new ATOM 0 HB3 TYR A 35 36.405 5.201 21.732 1.00 1.00 H new ATOM 0 HD1 TYR A 35 35.864 7.289 23.230 1.00 1.00 H new ATOM 0 HD2 TYR A 35 39.666 6.614 21.348 1.00 1.00 H new ATOM 0 HE1 TYR A 35 36.397 9.700 23.441 1.00 1.00 H new ATOM 0 HE2 TYR A 35 40.198 9.026 21.556 1.00 1.00 H new ATOM 0 HH TYR A 35 39.516 11.036 22.254 1.00 1.00 H new ATOM 510 N MET A 36 35.557 3.204 23.378 1.00 1.00 N ATOM 511 CA MET A 36 34.228 2.739 23.752 1.00 1.00 C ATOM 512 C MET A 36 34.079 2.749 25.270 1.00 1.00 C ATOM 513 O MET A 36 32.991 2.980 25.798 1.00 1.00 O ATOM 514 CB MET A 36 33.993 1.325 23.209 1.00 1.00 C ATOM 515 CG MET A 36 34.610 0.294 24.160 1.00 1.00 C ATOM 516 SD MET A 36 34.709 -1.318 23.333 1.00 1.00 S ATOM 517 CE MET A 36 35.950 -0.885 22.090 1.00 1.00 C ATOM 0 H MET A 36 36.008 2.664 22.640 1.00 1.00 H new ATOM 0 HA MET A 36 33.485 3.410 23.320 1.00 1.00 H new ATOM 0 HB2 MET A 36 32.924 1.140 23.101 1.00 1.00 H new ATOM 0 HB3 MET A 36 34.435 1.228 22.217 1.00 1.00 H new ATOM 0 HG2 MET A 36 35.604 0.618 24.467 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.007 0.213 25.065 1.00 1.00 H new ATOM 0 HE1 MET A 36 35.492 -0.891 21.101 1.00 1.00 H new ATOM 0 HE2 MET A 36 36.345 0.109 22.301 1.00 1.00 H new ATOM 0 HE3 MET A 36 36.762 -1.611 22.118 1.00 1.00 H new ATOM 527 N LEU A 37 35.186 2.496 25.964 1.00 1.00 N ATOM 528 CA LEU A 37 35.179 2.476 27.422 1.00 1.00 C ATOM 529 C LEU A 37 35.156 3.898 27.973 1.00 1.00 C ATOM 530 O LEU A 37 34.185 4.315 28.606 1.00 1.00 O ATOM 531 CB LEU A 37 36.428 1.751 27.940 1.00 1.00 C ATOM 532 CG LEU A 37 36.036 0.513 28.757 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.185 0.930 29.959 1.00 1.00 C ATOM 534 CD2 LEU A 37 35.242 -0.458 27.878 1.00 1.00 C ATOM 0 H LEU A 37 36.094 2.303 25.542 1.00 1.00 H new ATOM 0 HA LEU A 37 34.285 1.949 27.757 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.057 1.455 27.101 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.018 2.428 28.557 1.00 1.00 H new ATOM 0 HG LEU A 37 36.941 0.021 29.112 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.910 0.046 30.535 1.00 1.00 H new ATOM 0 HD12 LEU A 37 35.756 1.611 30.590 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.282 1.430 29.609 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.966 -1.336 28.463 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.340 0.034 27.515 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.854 -0.765 27.030 1.00 1.00 H new ATOM 546 N VAL A 38 36.233 4.636 27.729 1.00 1.00 N ATOM 547 CA VAL A 38 36.332 6.011 28.205 1.00 1.00 C ATOM 548 C VAL A 38 35.141 6.833 27.718 1.00 1.00 C ATOM 549 O VAL A 38 34.943 7.969 28.145 1.00 1.00 O ATOM 550 CB VAL A 38 37.632 6.645 27.705 1.00 1.00 C ATOM 551 CG1 VAL A 38 37.982 7.857 28.571 1.00 1.00 C ATOM 552 CG2 VAL A 38 38.767 5.619 27.789 1.00 1.00 C ATOM 0 H VAL A 38 37.046 4.308 27.207 1.00 1.00 H new ATOM 0 HA VAL A 38 36.330 6.000 29.295 1.00 1.00 H new ATOM 0 HB VAL A 38 37.501 6.963 26.671 1.00 1.00 H new ATOM 0 HG11 VAL A 38 38.908 8.306 28.212 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.177 8.590 28.513 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.110 7.540 29.606 1.00 1.00 H new ATOM 0 HG21 VAL A 38 39.693 6.071 27.433 1.00 1.00 H new ATOM 0 HG22 VAL A 38 38.893 5.300 28.824 1.00 1.00 H new ATOM 0 HG23 VAL A 38 38.523 4.755 27.170 1.00 1.00 H new ATOM 562 N PHE A 39 34.353 6.250 26.820 1.00 1.00 N ATOM 563 CA PHE A 39 33.186 6.941 26.283 1.00 1.00 C ATOM 564 C PHE A 39 32.182 7.241 27.390 1.00 1.00 C ATOM 565 O PHE A 39 31.938 8.401 27.722 1.00 1.00 O ATOM 566 CB PHE A 39 32.518 6.082 25.206 1.00 1.00 C ATOM 567 CG PHE A 39 32.115 6.956 24.043 1.00 1.00 C ATOM 568 CD1 PHE A 39 31.433 8.156 24.273 1.00 1.00 C ATOM 569 CD2 PHE A 39 32.423 6.566 22.733 1.00 1.00 C ATOM 570 CE1 PHE A 39 31.060 8.967 23.195 1.00 1.00 C ATOM 571 CE2 PHE A 39 32.050 7.377 21.655 1.00 1.00 C ATOM 572 CZ PHE A 39 31.368 8.577 21.886 1.00 1.00 C ATOM 0 H PHE A 39 34.499 5.310 26.452 1.00 1.00 H new ATOM 0 HA PHE A 39 33.517 7.882 25.844 1.00 1.00 H new ATOM 0 HB2 PHE A 39 33.203 5.304 24.870 1.00 1.00 H new ATOM 0 HB3 PHE A 39 31.643 5.580 25.618 1.00 1.00 H new ATOM 0 HD1 PHE A 39 31.194 8.456 25.283 1.00 1.00 H new ATOM 0 HD2 PHE A 39 32.948 5.639 22.555 1.00 1.00 H new ATOM 0 HE1 PHE A 39 30.535 9.894 23.373 1.00 1.00 H new ATOM 0 HE2 PHE A 39 32.288 7.077 20.645 1.00 1.00 H new ATOM 0 HZ PHE A 39 31.079 9.202 21.054 1.00 1.00 H new ATOM 582 N LEU A 40 31.601 6.189 27.959 1.00 1.00 N ATOM 583 CA LEU A 40 30.624 6.353 29.029 1.00 1.00 C ATOM 584 C LEU A 40 31.295 6.884 30.292 1.00 1.00 C ATOM 585 O LEU A 40 30.670 7.577 31.094 1.00 1.00 O ATOM 586 CB LEU A 40 29.950 5.015 29.331 1.00 1.00 C ATOM 587 CG LEU A 40 31.006 3.909 29.380 1.00 1.00 C ATOM 588 CD1 LEU A 40 30.737 2.997 30.578 1.00 1.00 C ATOM 589 CD2 LEU A 40 30.943 3.087 28.091 1.00 1.00 C ATOM 0 H LEU A 40 31.788 5.221 27.699 1.00 1.00 H new ATOM 0 HA LEU A 40 29.873 7.072 28.701 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.421 5.069 30.282 1.00 1.00 H new ATOM 0 HB3 LEU A 40 29.207 4.789 28.566 1.00 1.00 H new ATOM 0 HG LEU A 40 31.995 4.357 29.479 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.490 2.209 30.612 1.00 1.00 H new ATOM 0 HD12 LEU A 40 30.781 3.581 31.497 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.748 2.550 30.480 1.00 1.00 H new ATOM 0 HD21 LEU A 40 31.695 2.299 28.125 1.00 1.00 H new ATOM 0 HD22 LEU A 40 29.954 2.641 27.992 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.135 3.735 27.236 1.00 1.00 H new ATOM 601 N LEU A 41 32.570 6.552 30.463 1.00 1.00 N ATOM 602 CA LEU A 41 33.315 7.000 31.634 1.00 1.00 C ATOM 603 C LEU A 41 34.028 8.317 31.344 1.00 1.00 C ATOM 604 O LEU A 41 34.961 8.696 32.051 1.00 1.00 O ATOM 605 CB LEU A 41 34.341 5.940 32.037 1.00 1.00 C ATOM 606 CG LEU A 41 33.652 4.845 32.854 1.00 1.00 C ATOM 607 CD1 LEU A 41 34.307 3.495 32.556 1.00 1.00 C ATOM 608 CD2 LEU A 41 33.790 5.160 34.346 1.00 1.00 C ATOM 0 H LEU A 41 33.106 5.979 29.811 1.00 1.00 H new ATOM 0 HA LEU A 41 32.611 7.154 32.452 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.802 5.509 31.148 1.00 1.00 H new ATOM 0 HB3 LEU A 41 35.140 6.396 32.622 1.00 1.00 H new ATOM 0 HG LEU A 41 32.596 4.803 32.586 1.00 1.00 H new ATOM 0 HD11 LEU A 41 33.816 2.716 33.138 1.00 1.00 H new ATOM 0 HD12 LEU A 41 34.210 3.270 31.494 1.00 1.00 H new ATOM 0 HD13 LEU A 41 35.363 3.536 32.823 1.00 1.00 H new ATOM 0 HD21 LEU A 41 33.300 4.381 34.929 1.00 1.00 H new ATOM 0 HD22 LEU A 41 34.846 5.203 34.613 1.00 1.00 H new ATOM 0 HD23 LEU A 41 33.323 6.121 34.560 1.00 1.00 H new ATOM 620 N GLY A 42 33.580 9.008 30.300 1.00 1.00 N ATOM 621 CA GLY A 42 34.180 10.283 29.921 1.00 1.00 C ATOM 622 C GLY A 42 33.109 11.346 29.696 1.00 1.00 C ATOM 623 O GLY A 42 33.419 12.513 29.455 1.00 1.00 O ATOM 0 H GLY A 42 32.808 8.709 29.704 1.00 1.00 H new ATOM 0 HA2 GLY A 42 34.866 10.612 30.701 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.768 10.156 29.012 1.00 1.00 H new ATOM 627 N THR A 43 31.847 10.934 29.778 1.00 1.00 N ATOM 628 CA THR A 43 30.737 11.861 29.582 1.00 1.00 C ATOM 629 C THR A 43 30.135 12.265 30.924 1.00 1.00 C ATOM 630 O THR A 43 30.859 12.498 31.892 1.00 1.00 O ATOM 631 CB THR A 43 29.661 11.210 28.711 1.00 1.00 C ATOM 632 OG1 THR A 43 28.665 12.174 28.394 1.00 1.00 O ATOM 633 CG2 THR A 43 29.023 10.046 29.469 1.00 1.00 C ATOM 0 H THR A 43 31.569 9.973 29.977 1.00 1.00 H new ATOM 0 HA THR A 43 31.115 12.753 29.083 1.00 1.00 H new ATOM 0 HB THR A 43 30.113 10.837 27.792 1.00 1.00 H new ATOM 0 HG1 THR A 43 27.975 11.760 27.834 1.00 1.00 H new ATOM 0 HG21 THR A 43 28.257 9.583 28.847 1.00 1.00 H new ATOM 0 HG22 THR A 43 29.787 9.308 29.712 1.00 1.00 H new ATOM 0 HG23 THR A 43 28.570 10.416 30.389 1.00 1.00 H new ATOM 641 N THR A 44 28.808 12.344 30.970 1.00 1.00 N ATOM 642 CA THR A 44 28.110 12.720 32.196 1.00 1.00 C ATOM 643 C THR A 44 28.675 14.019 32.762 1.00 1.00 C ATOM 644 O THR A 44 28.132 15.098 32.525 1.00 1.00 O ATOM 645 CB THR A 44 28.239 11.606 33.239 1.00 1.00 C ATOM 646 OG1 THR A 44 29.511 10.986 33.119 1.00 1.00 O ATOM 647 CG2 THR A 44 27.140 10.567 33.016 1.00 1.00 C ATOM 0 H THR A 44 28.196 12.154 30.176 1.00 1.00 H new ATOM 0 HA THR A 44 27.057 12.871 31.956 1.00 1.00 H new ATOM 0 HB THR A 44 28.138 12.032 34.237 1.00 1.00 H new ATOM 0 HG1 THR A 44 29.593 10.274 33.788 1.00 1.00 H new ATOM 0 HG21 THR A 44 27.232 9.774 33.759 1.00 1.00 H new ATOM 0 HG22 THR A 44 26.164 11.043 33.113 1.00 1.00 H new ATOM 0 HG23 THR A 44 27.239 10.142 32.017 1.00 1.00 H new ATOM 655 N GLY A 45 29.766 13.906 33.510 1.00 1.00 N ATOM 656 CA GLY A 45 30.398 15.077 34.105 1.00 1.00 C ATOM 657 C GLY A 45 31.824 14.763 34.542 1.00 1.00 C ATOM 658 O GLY A 45 32.202 15.011 35.687 1.00 1.00 O ATOM 0 H GLY A 45 30.229 13.021 33.718 1.00 1.00 H new ATOM 0 HA2 GLY A 45 30.406 15.896 33.386 1.00 1.00 H new ATOM 0 HA3 GLY A 45 29.816 15.413 34.963 1.00 1.00 H new ATOM 662 N ASN A 46 32.612 14.217 33.621 1.00 1.00 N ATOM 663 CA ASN A 46 33.997 13.872 33.922 1.00 1.00 C ATOM 664 C ASN A 46 34.909 14.256 32.760 1.00 1.00 C ATOM 665 O ASN A 46 35.007 13.531 31.771 1.00 1.00 O ATOM 666 CB ASN A 46 34.116 12.371 34.193 1.00 1.00 C ATOM 667 CG ASN A 46 33.323 12.004 35.442 1.00 1.00 C ATOM 668 OD1 ASN A 46 32.027 11.869 35.366 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 33.899 11.837 36.517 1.00 1.00 N flip ATOM 0 H ASN A 46 32.318 14.005 32.667 1.00 1.00 H new ATOM 0 HA ASN A 46 34.305 14.425 34.809 1.00 1.00 H new ATOM 0 HB2 ASN A 46 33.744 11.808 33.337 1.00 1.00 H new ATOM 0 HB3 ASN A 46 35.163 12.098 34.323 1.00 1.00 H new ATOM 0 HD21 ASN A 46 34.912 11.943 36.575 1.00 1.00 H new ATOM 0 HD22 ASN A 46 33.363 11.593 37.350 1.00 1.00 H new ATOM 676 N GLY A 47 35.571 15.400 32.890 1.00 1.00 N ATOM 677 CA GLY A 47 36.473 15.872 31.844 1.00 1.00 C ATOM 678 C GLY A 47 36.437 17.393 31.743 1.00 1.00 C ATOM 679 O GLY A 47 37.367 18.076 32.172 1.00 1.00 O ATOM 0 H GLY A 47 35.502 16.014 33.702 1.00 1.00 H new ATOM 0 HA2 GLY A 47 37.489 15.541 32.058 1.00 1.00 H new ATOM 0 HA3 GLY A 47 36.189 15.433 30.888 1.00 1.00 H new ATOM 683 N LEU A 48 35.356 17.918 31.174 1.00 1.00 N ATOM 684 CA LEU A 48 35.210 19.361 31.023 1.00 1.00 C ATOM 685 C LEU A 48 34.885 20.003 32.367 1.00 1.00 C ATOM 686 O LEU A 48 35.430 21.051 32.715 1.00 1.00 O ATOM 687 CB LEU A 48 34.089 19.669 30.021 1.00 1.00 C ATOM 688 CG LEU A 48 34.575 20.672 28.967 1.00 1.00 C ATOM 689 CD1 LEU A 48 35.110 21.931 29.654 1.00 1.00 C ATOM 690 CD2 LEU A 48 35.685 20.038 28.123 1.00 1.00 C ATOM 0 H LEU A 48 34.575 17.371 30.813 1.00 1.00 H new ATOM 0 HA LEU A 48 36.150 19.771 30.653 1.00 1.00 H new ATOM 0 HB2 LEU A 48 33.764 18.749 29.535 1.00 1.00 H new ATOM 0 HB3 LEU A 48 33.224 20.074 30.546 1.00 1.00 H new ATOM 0 HG LEU A 48 33.739 20.943 28.322 1.00 1.00 H new ATOM 0 HD11 LEU A 48 35.453 22.639 28.900 1.00 1.00 H new ATOM 0 HD12 LEU A 48 34.317 22.388 30.246 1.00 1.00 H new ATOM 0 HD13 LEU A 48 35.941 21.664 30.306 1.00 1.00 H new ATOM 0 HD21 LEU A 48 36.027 20.754 27.376 1.00 1.00 H new ATOM 0 HD22 LEU A 48 36.519 19.760 28.768 1.00 1.00 H new ATOM 0 HD23 LEU A 48 35.300 19.149 27.624 1.00 1.00 H new ATOM 702 N VAL A 49 33.994 19.368 33.121 1.00 1.00 N ATOM 703 CA VAL A 49 33.604 19.885 34.427 1.00 1.00 C ATOM 704 C VAL A 49 34.826 20.037 35.327 1.00 1.00 C ATOM 705 O VAL A 49 34.840 20.866 36.236 1.00 1.00 O ATOM 706 CB VAL A 49 32.601 18.938 35.085 1.00 1.00 C ATOM 707 CG1 VAL A 49 31.857 19.676 36.199 1.00 1.00 C ATOM 708 CG2 VAL A 49 31.596 18.453 34.037 1.00 1.00 C ATOM 0 H VAL A 49 33.531 18.500 32.852 1.00 1.00 H new ATOM 0 HA VAL A 49 33.143 20.863 34.288 1.00 1.00 H new ATOM 0 HB VAL A 49 33.131 18.083 35.506 1.00 1.00 H new ATOM 0 HG11 VAL A 49 31.142 19.001 36.668 1.00 1.00 H new ATOM 0 HG12 VAL A 49 32.571 20.024 36.945 1.00 1.00 H new ATOM 0 HG13 VAL A 49 31.327 20.531 35.778 1.00 1.00 H new ATOM 0 HG21 VAL A 49 30.880 17.777 34.505 1.00 1.00 H new ATOM 0 HG22 VAL A 49 31.067 19.308 33.617 1.00 1.00 H new ATOM 0 HG23 VAL A 49 32.125 17.927 33.242 1.00 1.00 H new ATOM 718 N LEU A 50 35.847 19.227 35.069 1.00 1.00 N ATOM 719 CA LEU A 50 37.067 19.277 35.864 1.00 1.00 C ATOM 720 C LEU A 50 37.979 20.395 35.370 1.00 1.00 C ATOM 721 O LEU A 50 38.630 21.073 36.164 1.00 1.00 O ATOM 722 CB LEU A 50 37.803 17.936 35.777 1.00 1.00 C ATOM 723 CG LEU A 50 37.124 16.901 36.685 1.00 1.00 C ATOM 724 CD1 LEU A 50 37.328 17.266 38.162 1.00 1.00 C ATOM 725 CD2 LEU A 50 35.625 16.859 36.379 1.00 1.00 C ATOM 0 H LEU A 50 35.854 18.533 34.321 1.00 1.00 H new ATOM 0 HA LEU A 50 36.797 19.475 36.901 1.00 1.00 H new ATOM 0 HB2 LEU A 50 37.806 17.581 34.747 1.00 1.00 H new ATOM 0 HB3 LEU A 50 38.844 18.064 36.074 1.00 1.00 H new ATOM 0 HG LEU A 50 37.570 15.925 36.496 1.00 1.00 H new ATOM 0 HD11 LEU A 50 36.840 16.522 38.791 1.00 1.00 H new ATOM 0 HD12 LEU A 50 38.394 17.289 38.387 1.00 1.00 H new ATOM 0 HD13 LEU A 50 36.895 18.247 38.358 1.00 1.00 H new ATOM 0 HD21 LEU A 50 35.143 16.124 37.024 1.00 1.00 H new ATOM 0 HD22 LEU A 50 35.189 17.842 36.559 1.00 1.00 H new ATOM 0 HD23 LEU A 50 35.474 16.581 35.336 1.00 1.00 H new ATOM 737 N TRP A 51 38.018 20.583 34.055 1.00 1.00 N ATOM 738 CA TRP A 51 38.852 21.625 33.468 1.00 1.00 C ATOM 739 C TRP A 51 38.715 22.922 34.259 1.00 1.00 C ATOM 740 O TRP A 51 39.686 23.652 34.446 1.00 1.00 O ATOM 741 CB TRP A 51 38.447 21.862 32.012 1.00 1.00 C ATOM 742 CG TRP A 51 38.118 23.307 31.811 1.00 1.00 C ATOM 743 CD1 TRP A 51 36.967 23.904 32.195 1.00 1.00 C ATOM 744 CD2 TRP A 51 38.928 24.344 31.184 1.00 1.00 C ATOM 745 NE1 TRP A 51 37.017 25.241 31.844 1.00 1.00 N ATOM 746 CE2 TRP A 51 38.205 25.561 31.218 1.00 1.00 C ATOM 747 CE3 TRP A 51 40.205 24.348 30.595 1.00 1.00 C ATOM 748 CZ2 TRP A 51 38.732 26.739 30.686 1.00 1.00 C ATOM 749 CZ3 TRP A 51 40.737 25.532 30.059 1.00 1.00 C ATOM 750 CH2 TRP A 51 40.002 26.724 30.104 1.00 1.00 C ATOM 0 H TRP A 51 37.487 20.032 33.381 1.00 1.00 H new ATOM 0 HA TRP A 51 39.892 21.299 33.502 1.00 1.00 H new ATOM 0 HB2 TRP A 51 39.258 21.567 31.346 1.00 1.00 H new ATOM 0 HB3 TRP A 51 37.586 21.244 31.758 1.00 1.00 H new ATOM 0 HD1 TRP A 51 36.143 23.416 32.694 1.00 1.00 H new ATOM 0 HE1 TRP A 51 36.268 25.909 32.026 1.00 1.00 H new ATOM 0 HE3 TRP A 51 40.780 23.435 30.555 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 38.162 27.656 30.724 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 41.719 25.524 29.609 1.00 1.00 H new ATOM 0 HH2 TRP A 51 40.417 27.631 29.689 1.00 1.00 H new ATOM 761 N THR A 52 37.501 23.199 34.724 1.00 1.00 N ATOM 762 CA THR A 52 37.251 24.410 35.497 1.00 1.00 C ATOM 763 C THR A 52 37.880 24.297 36.883 1.00 1.00 C ATOM 764 O THR A 52 38.257 25.301 37.488 1.00 1.00 O ATOM 765 CB THR A 52 35.744 24.638 35.633 1.00 1.00 C ATOM 766 OG1 THR A 52 35.253 25.260 34.454 1.00 1.00 O ATOM 767 CG2 THR A 52 35.468 25.537 36.839 1.00 1.00 C ATOM 0 H THR A 52 36.682 22.608 34.581 1.00 1.00 H new ATOM 0 HA THR A 52 37.700 25.255 34.975 1.00 1.00 H new ATOM 0 HB THR A 52 35.243 23.680 35.775 1.00 1.00 H new ATOM 0 HG1 THR A 52 35.772 24.953 33.682 1.00 1.00 H new ATOM 0 HG21 THR A 52 34.394 25.698 36.934 1.00 1.00 H new ATOM 0 HG22 THR A 52 35.845 25.059 37.743 1.00 1.00 H new ATOM 0 HG23 THR A 52 35.968 26.496 36.700 1.00 1.00 H new ATOM 775 N VAL A 53 37.988 23.069 37.379 1.00 1.00 N ATOM 776 CA VAL A 53 38.570 22.834 38.695 1.00 1.00 C ATOM 777 C VAL A 53 40.029 22.409 38.571 1.00 1.00 C ATOM 778 O VAL A 53 40.746 22.320 39.568 1.00 1.00 O ATOM 779 CB VAL A 53 37.784 21.744 39.424 1.00 1.00 C ATOM 780 CG1 VAL A 53 37.969 21.903 40.934 1.00 1.00 C ATOM 781 CG2 VAL A 53 36.299 21.869 39.077 1.00 1.00 C ATOM 0 H VAL A 53 37.682 22.226 36.893 1.00 1.00 H new ATOM 0 HA VAL A 53 38.521 23.763 39.262 1.00 1.00 H new ATOM 0 HB VAL A 53 38.150 20.765 39.115 1.00 1.00 H new ATOM 0 HG11 VAL A 53 37.408 21.126 41.453 1.00 1.00 H new ATOM 0 HG12 VAL A 53 39.027 21.815 41.182 1.00 1.00 H new ATOM 0 HG13 VAL A 53 37.604 22.882 41.244 1.00 1.00 H new ATOM 0 HG21 VAL A 53 35.737 21.092 39.596 1.00 1.00 H new ATOM 0 HG22 VAL A 53 35.934 22.849 39.386 1.00 1.00 H new ATOM 0 HG23 VAL A 53 36.166 21.755 38.001 1.00 1.00 H new ATOM 791 N PHE A 54 40.459 22.140 37.343 1.00 1.00 N ATOM 792 CA PHE A 54 41.834 21.719 37.103 1.00 1.00 C ATOM 793 C PHE A 54 42.675 22.881 36.588 1.00 1.00 C ATOM 794 O PHE A 54 43.898 22.882 36.724 1.00 1.00 O ATOM 795 CB PHE A 54 41.853 20.579 36.083 1.00 1.00 C ATOM 796 CG PHE A 54 43.255 20.025 35.973 1.00 1.00 C ATOM 797 CD1 PHE A 54 43.687 19.033 36.861 1.00 1.00 C ATOM 798 CD2 PHE A 54 44.120 20.504 34.983 1.00 1.00 C ATOM 799 CE1 PHE A 54 44.985 18.518 36.758 1.00 1.00 C ATOM 800 CE2 PHE A 54 45.419 19.991 34.881 1.00 1.00 C ATOM 801 CZ PHE A 54 45.851 18.998 35.768 1.00 1.00 C ATOM 0 H PHE A 54 39.881 22.205 36.505 1.00 1.00 H new ATOM 0 HA PHE A 54 42.259 21.375 38.046 1.00 1.00 H new ATOM 0 HB2 PHE A 54 41.163 19.793 36.388 1.00 1.00 H new ATOM 0 HB3 PHE A 54 41.516 20.940 35.111 1.00 1.00 H new ATOM 0 HD1 PHE A 54 43.019 18.665 37.626 1.00 1.00 H new ATOM 0 HD2 PHE A 54 43.786 21.269 34.298 1.00 1.00 H new ATOM 0 HE1 PHE A 54 45.318 17.751 37.442 1.00 1.00 H new ATOM 0 HE2 PHE A 54 46.088 20.361 34.118 1.00 1.00 H new ATOM 0 HZ PHE A 54 46.853 18.602 35.689 1.00 1.00 H new ATOM 811 N ARG A 55 42.014 23.870 35.995 1.00 1.00 N ATOM 812 CA ARG A 55 42.716 25.033 35.465 1.00 1.00 C ATOM 813 C ARG A 55 42.775 26.146 36.507 1.00 1.00 C ATOM 814 O ARG A 55 43.820 26.763 36.710 1.00 1.00 O ATOM 815 CB ARG A 55 42.012 25.544 34.209 1.00 1.00 C ATOM 816 CG ARG A 55 43.004 26.325 33.346 1.00 1.00 C ATOM 817 CD ARG A 55 42.276 27.462 32.632 1.00 1.00 C ATOM 818 NE ARG A 55 42.155 28.617 33.515 1.00 1.00 N ATOM 819 CZ ARG A 55 41.324 29.615 33.232 1.00 1.00 C ATOM 820 NH1 ARG A 55 40.601 29.573 32.147 1.00 1.00 N ATOM 821 NH2 ARG A 55 41.233 30.636 34.039 1.00 1.00 N ATOM 0 H ARG A 55 41.002 23.890 35.870 1.00 1.00 H new ATOM 0 HA ARG A 55 43.733 24.733 35.212 1.00 1.00 H new ATOM 0 HB2 ARG A 55 41.603 24.707 33.643 1.00 1.00 H new ATOM 0 HB3 ARG A 55 41.173 26.183 34.485 1.00 1.00 H new ATOM 0 HG2 ARG A 55 43.805 26.726 33.967 1.00 1.00 H new ATOM 0 HG3 ARG A 55 43.468 25.661 32.616 1.00 1.00 H new ATOM 0 HD2 ARG A 55 42.819 27.741 31.729 1.00 1.00 H new ATOM 0 HD3 ARG A 55 41.286 27.130 32.319 1.00 1.00 H new ATOM 0 HE ARG A 55 42.718 28.659 34.364 1.00 1.00 H new ATOM 0 HH11 ARG A 55 40.674 28.775 31.516 1.00 1.00 H new ATOM 0 HH12 ARG A 55 39.963 30.339 31.929 1.00 1.00 H new ATOM 0 HH21 ARG A 55 41.799 30.668 34.887 1.00 1.00 H new ATOM 0 HH22 ARG A 55 40.595 31.402 33.822 1.00 1.00 H new ATOM 835 N LYS A 56 41.647 26.395 37.163 1.00 1.00 N ATOM 836 CA LYS A 56 41.582 27.438 38.182 1.00 1.00 C ATOM 837 C LYS A 56 42.833 27.414 39.054 1.00 1.00 C ATOM 838 O LYS A 56 43.581 28.389 39.109 1.00 1.00 O ATOM 839 CB LYS A 56 40.344 27.234 39.058 1.00 1.00 C ATOM 840 CG LYS A 56 39.117 27.823 38.357 1.00 1.00 C ATOM 841 CD LYS A 56 39.008 29.317 38.672 1.00 1.00 C ATOM 842 CE LYS A 56 38.092 29.522 39.880 1.00 1.00 C ATOM 843 NZ LYS A 56 38.380 28.479 40.905 1.00 1.00 N ATOM 0 H LYS A 56 40.772 25.894 37.010 1.00 1.00 H new ATOM 0 HA LYS A 56 41.520 28.405 37.683 1.00 1.00 H new ATOM 0 HB2 LYS A 56 40.192 26.172 39.248 1.00 1.00 H new ATOM 0 HB3 LYS A 56 40.488 27.714 40.026 1.00 1.00 H new ATOM 0 HG2 LYS A 56 39.195 27.674 37.280 1.00 1.00 H new ATOM 0 HG3 LYS A 56 38.216 27.306 38.686 1.00 1.00 H new ATOM 0 HD2 LYS A 56 39.996 29.728 38.878 1.00 1.00 H new ATOM 0 HD3 LYS A 56 38.613 29.853 37.809 1.00 1.00 H new ATOM 0 HE2 LYS A 56 38.247 30.515 40.303 1.00 1.00 H new ATOM 0 HE3 LYS A 56 37.048 29.466 39.572 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 37.757 28.618 41.726 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 38.211 27.537 40.498 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 39.373 28.553 41.207 1.00 1.00 H new ATOM 857 N LYS A 57 43.055 26.292 39.731 1.00 1.00 N ATOM 858 CA LYS A 57 44.219 26.151 40.597 1.00 1.00 C ATOM 859 C LYS A 57 45.489 25.997 39.767 1.00 1.00 C ATOM 860 O LYS A 57 46.285 25.085 39.995 1.00 1.00 O ATOM 861 CB LYS A 57 44.051 24.932 41.507 1.00 1.00 C ATOM 862 CG LYS A 57 42.821 25.125 42.397 1.00 1.00 C ATOM 863 CD LYS A 57 42.037 23.814 42.477 1.00 1.00 C ATOM 864 CE LYS A 57 41.049 23.880 43.642 1.00 1.00 C ATOM 865 NZ LYS A 57 40.283 22.602 43.717 1.00 1.00 N ATOM 0 H LYS A 57 42.449 25.473 39.697 1.00 1.00 H new ATOM 0 HA LYS A 57 44.304 27.050 41.208 1.00 1.00 H new ATOM 0 HB2 LYS A 57 43.940 24.029 40.906 1.00 1.00 H new ATOM 0 HB3 LYS A 57 44.941 24.799 42.122 1.00 1.00 H new ATOM 0 HG2 LYS A 57 43.127 25.439 43.395 1.00 1.00 H new ATOM 0 HG3 LYS A 57 42.188 25.915 41.994 1.00 1.00 H new ATOM 0 HD2 LYS A 57 41.503 23.640 41.543 1.00 1.00 H new ATOM 0 HD3 LYS A 57 42.721 22.977 42.614 1.00 1.00 H new ATOM 0 HE2 LYS A 57 41.583 24.052 44.577 1.00 1.00 H new ATOM 0 HE3 LYS A 57 40.366 24.719 43.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 40.017 22.414 44.705 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 39.424 22.678 43.136 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 40.873 21.822 43.363 1.00 1.00 H new ATOM 879 N GLY A 58 45.672 26.893 38.802 1.00 1.00 N ATOM 880 CA GLY A 58 46.849 26.846 37.942 1.00 1.00 C ATOM 881 C GLY A 58 48.117 27.128 38.740 1.00 1.00 C ATOM 882 O GLY A 58 48.354 26.519 39.783 1.00 1.00 O ATOM 0 H GLY A 58 45.026 27.655 38.597 1.00 1.00 H new ATOM 0 HA2 GLY A 58 46.921 25.866 37.471 1.00 1.00 H new ATOM 0 HA3 GLY A 58 46.748 27.578 37.141 1.00 1.00 H new ATOM 886 N HIS A 59 48.930 28.054 38.242 1.00 1.00 N ATOM 887 CA HIS A 59 50.173 28.410 38.915 1.00 1.00 C ATOM 888 C HIS A 59 50.369 29.919 38.915 1.00 1.00 C ATOM 889 O HIS A 59 50.036 30.600 39.885 1.00 1.00 O ATOM 890 CB HIS A 59 51.357 27.751 38.209 1.00 1.00 C ATOM 891 CG HIS A 59 51.212 26.256 38.269 1.00 1.00 C ATOM 892 ND1 HIS A 59 51.560 25.524 39.394 1.00 1.00 N ATOM 893 CD2 HIS A 59 50.759 25.340 37.353 1.00 1.00 C ATOM 894 CE1 HIS A 59 51.312 24.228 39.129 1.00 1.00 C ATOM 895 NE2 HIS A 59 50.822 24.060 37.898 1.00 1.00 N ATOM 0 H HIS A 59 48.752 28.569 37.380 1.00 1.00 H new ATOM 0 HA HIS A 59 50.116 28.058 39.945 1.00 1.00 H new ATOM 0 HB2 HIS A 59 51.404 28.080 37.171 1.00 1.00 H new ATOM 0 HB3 HIS A 59 52.291 28.055 38.682 1.00 1.00 H new ATOM 0 HD2 HIS A 59 50.407 25.576 36.360 1.00 1.00 H new ATOM 0 HE1 HIS A 59 51.488 23.422 39.827 1.00 1.00 H new ATOM 0 HE2 HIS A 59 50.552 23.183 37.453 1.00 1.00 H new ATOM 903 N HIS A 60 50.910 30.435 37.817 1.00 1.00 N ATOM 904 CA HIS A 60 51.146 31.864 37.695 1.00 1.00 C ATOM 905 C HIS A 60 51.374 32.248 36.236 1.00 1.00 C ATOM 906 O HIS A 60 51.965 31.488 35.470 1.00 1.00 O ATOM 907 CB HIS A 60 52.364 32.266 38.528 1.00 1.00 C ATOM 908 CG HIS A 60 52.985 33.504 37.941 1.00 1.00 C ATOM 909 ND1 HIS A 60 52.419 34.760 38.096 1.00 1.00 N ATOM 910 CD2 HIS A 60 54.122 33.695 37.195 1.00 1.00 C ATOM 911 CE1 HIS A 60 53.208 35.643 37.456 1.00 1.00 C ATOM 912 NE2 HIS A 60 54.260 35.046 36.890 1.00 1.00 N ATOM 0 H HIS A 60 51.191 29.887 37.004 1.00 1.00 H new ATOM 0 HA HIS A 60 50.266 32.391 38.063 1.00 1.00 H new ATOM 0 HB2 HIS A 60 52.067 32.449 39.561 1.00 1.00 H new ATOM 0 HB3 HIS A 60 53.091 31.454 38.544 1.00 1.00 H new ATOM 0 HD2 HIS A 60 54.805 32.916 36.891 1.00 1.00 H new ATOM 0 HE1 HIS A 60 53.014 36.704 37.406 1.00 1.00 H new ATOM 0 HE2 HIS A 60 55.005 35.486 36.350 1.00 1.00 H new ATOM 920 N HIS A 61 50.900 33.431 35.861 1.00 1.00 N ATOM 921 CA HIS A 61 51.058 33.906 34.492 1.00 1.00 C ATOM 922 C HIS A 61 52.524 34.206 34.194 1.00 1.00 C ATOM 923 O HIS A 61 52.995 35.321 34.411 1.00 1.00 O ATOM 924 CB HIS A 61 50.224 35.170 34.277 1.00 1.00 C ATOM 925 CG HIS A 61 48.764 34.811 34.254 1.00 1.00 C ATOM 926 ND1 HIS A 61 48.240 33.900 33.350 1.00 1.00 N ATOM 927 CD2 HIS A 61 47.703 35.231 35.018 1.00 1.00 C ATOM 928 CE1 HIS A 61 46.920 33.801 33.590 1.00 1.00 C ATOM 929 NE2 HIS A 61 46.540 34.592 34.597 1.00 1.00 N ATOM 0 H HIS A 61 50.407 34.074 36.480 1.00 1.00 H new ATOM 0 HA HIS A 61 50.713 33.124 33.815 1.00 1.00 H new ATOM 0 HB2 HIS A 61 50.420 35.888 35.074 1.00 1.00 H new ATOM 0 HB3 HIS A 61 50.506 35.649 33.340 1.00 1.00 H new ATOM 0 HD2 HIS A 61 47.762 35.948 35.823 1.00 1.00 H new ATOM 0 HE1 HIS A 61 46.250 33.160 33.036 1.00 1.00 H new ATOM 0 HE2 HIS A 61 45.600 34.704 34.976 1.00 1.00 H new ATOM 937 N HIS A 62 53.238 33.202 33.696 1.00 1.00 N ATOM 938 CA HIS A 62 54.651 33.369 33.373 1.00 1.00 C ATOM 939 C HIS A 62 54.852 34.575 32.460 1.00 1.00 C ATOM 940 O HIS A 62 54.255 34.659 31.387 1.00 1.00 O ATOM 941 CB HIS A 62 55.182 32.111 32.684 1.00 1.00 C ATOM 942 CG HIS A 62 56.588 32.356 32.208 1.00 1.00 C ATOM 943 ND1 HIS A 62 57.588 33.171 32.680 1.00 1.00 N flip ATOM 944 CD2 HIS A 62 57.115 31.714 31.099 1.00 1.00 C flip ATOM 945 CE1 HIS A 62 58.718 33.037 31.879 1.00 1.00 C flip ATOM 946 NE2 HIS A 62 58.379 32.148 30.941 1.00 1.00 N flip ATOM 0 H HIS A 62 52.866 32.271 33.508 1.00 1.00 H new ATOM 0 HA HIS A 62 55.200 33.533 34.300 1.00 1.00 H new ATOM 0 HB2 HIS A 62 55.162 31.269 33.376 1.00 1.00 H new ATOM 0 HB3 HIS A 62 54.542 31.847 31.842 1.00 1.00 H new ATOM 0 HD2 HIS A 62 56.604 30.996 30.475 1.00 1.00 H new ATOM 0 HE1 HIS A 62 59.666 33.543 31.991 1.00 1.00 H new ATOM 0 HE2 HIS A 62 59.002 31.836 30.196 1.00 1.00 H new ATOM 954 N HIS A 63 55.696 35.505 32.894 1.00 1.00 N ATOM 955 CA HIS A 63 55.967 36.703 32.108 1.00 1.00 C ATOM 956 C HIS A 63 56.228 36.339 30.650 1.00 1.00 C ATOM 957 O HIS A 63 57.060 35.481 30.353 1.00 1.00 O ATOM 958 CB HIS A 63 57.183 37.436 32.677 1.00 1.00 C ATOM 959 CG HIS A 63 57.157 38.873 32.231 1.00 1.00 C ATOM 960 ND1 HIS A 63 58.252 39.483 31.641 1.00 1.00 N ATOM 961 CD2 HIS A 63 56.176 39.832 32.283 1.00 1.00 C ATOM 962 CE1 HIS A 63 57.907 40.755 31.363 1.00 1.00 C ATOM 963 NE2 HIS A 63 56.653 41.019 31.734 1.00 1.00 N ATOM 0 H HIS A 63 56.201 35.453 33.779 1.00 1.00 H new ATOM 0 HA HIS A 63 55.094 37.353 32.158 1.00 1.00 H new ATOM 0 HB2 HIS A 63 57.177 37.382 33.766 1.00 1.00 H new ATOM 0 HB3 HIS A 63 58.101 36.956 32.339 1.00 1.00 H new ATOM 0 HD2 HIS A 63 55.185 39.688 32.688 1.00 1.00 H new ATOM 0 HE1 HIS A 63 58.565 41.473 30.897 1.00 1.00 H new ATOM 0 HE2 HIS A 63 56.151 41.902 31.636 1.00 1.00 H new ATOM 971 N HIS A 64 55.512 36.996 29.744 1.00 1.00 N ATOM 972 CA HIS A 64 55.675 36.732 28.318 1.00 1.00 C ATOM 973 C HIS A 64 57.153 36.710 27.943 1.00 1.00 C ATOM 974 O HIS A 64 57.454 36.325 26.824 1.00 1.00 O ATOM 975 CB HIS A 64 54.954 37.807 27.504 1.00 1.00 C ATOM 976 CG HIS A 64 55.968 38.732 26.887 1.00 1.00 C ATOM 977 ND1 HIS A 64 56.712 39.624 27.644 1.00 1.00 N ATOM 978 CD2 HIS A 64 56.371 38.917 25.587 1.00 1.00 C ATOM 979 CE1 HIS A 64 57.517 40.297 26.803 1.00 1.00 C ATOM 980 NE2 HIS A 64 57.349 39.905 25.538 1.00 1.00 N ATOM 981 OXT HIS A 64 57.961 37.080 28.777 1.00 1.00 O ATOM 0 H HIS A 64 54.819 37.710 29.968 1.00 1.00 H new ATOM 0 HA HIS A 64 55.242 35.757 28.095 1.00 1.00 H new ATOM 0 HB2 HIS A 64 54.347 37.344 26.726 1.00 1.00 H new ATOM 0 HB3 HIS A 64 54.275 38.370 28.145 1.00 1.00 H new ATOM 0 HD2 HIS A 64 55.987 38.378 24.733 1.00 1.00 H new ATOM 0 HE1 HIS A 64 58.214 41.061 27.113 1.00 1.00 H new ATOM 0 HE2 HIS A 64 57.834 40.255 24.712 1.00 1.00 H new TER 989 HIS A 64