USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.114 X(o=-0.11,f=0) 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= -0.0102 X(o=-0.01,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.019) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -19:sc= -0.772 USER MOD Single : A 21 TYR OH : rot -46:sc= 1.04 USER MOD Single : A 22 THR OG1 : rot -87:sc= 0.137 USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= -0.202 (180deg=-1.46!) USER MOD Single : A 26 SER OG : rot -110:sc= -1.16 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.14 F(o=-3.1!,f=-1.1) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= -2.5! (180deg=-2.52!) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -2.17! C(o=-3.1!,f=-2.2!) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.75) USER MOD Single : A 62 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.48) USER MOD Single : A 63 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.37) USER MOD Single : A 64 HIS : no HD1:sc= -0.0522 X(o=-0.052,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.920 7.555 -9.360 1.00 1.00 N ATOM 2 CA MET A 1 13.072 8.568 -8.669 1.00 1.00 C ATOM 3 C MET A 1 13.888 9.833 -8.429 1.00 1.00 C ATOM 4 O MET A 1 14.841 9.829 -7.649 1.00 1.00 O ATOM 5 CB MET A 1 12.586 7.998 -7.335 1.00 1.00 C ATOM 6 CG MET A 1 11.351 8.770 -6.868 1.00 1.00 C ATOM 7 SD MET A 1 11.305 8.798 -5.059 1.00 1.00 S ATOM 8 CE MET A 1 10.686 7.115 -4.822 1.00 1.00 C ATOM 0 H1 MET A 1 13.365 6.691 -9.524 1.00 1.00 H new ATOM 0 H2 MET A 1 14.244 7.937 -10.271 1.00 1.00 H new ATOM 0 H3 MET A 1 14.744 7.329 -8.767 1.00 1.00 H new ATOM 0 HA MET A 1 12.210 8.812 -9.290 1.00 1.00 H new ATOM 0 HB2 MET A 1 12.346 6.940 -7.445 1.00 1.00 H new ATOM 0 HB3 MET A 1 13.376 8.069 -6.588 1.00 1.00 H new ATOM 0 HG2 MET A 1 11.376 9.788 -7.258 1.00 1.00 H new ATOM 0 HG3 MET A 1 10.447 8.302 -7.258 1.00 1.00 H new ATOM 0 HE1 MET A 1 10.580 6.913 -3.756 1.00 1.00 H new ATOM 0 HE2 MET A 1 9.717 7.012 -5.309 1.00 1.00 H new ATOM 0 HE3 MET A 1 11.388 6.404 -5.257 1.00 1.00 H new ATOM 20 N GLU A 2 13.509 10.914 -9.102 1.00 1.00 N ATOM 21 CA GLU A 2 14.215 12.181 -8.953 1.00 1.00 C ATOM 22 C GLU A 2 13.239 13.351 -9.040 1.00 1.00 C ATOM 23 O GLU A 2 13.197 14.063 -10.044 1.00 1.00 O ATOM 24 CB GLU A 2 15.278 12.319 -10.045 1.00 1.00 C ATOM 25 CG GLU A 2 16.300 11.189 -9.908 1.00 1.00 C ATOM 26 CD GLU A 2 17.546 11.510 -10.726 1.00 1.00 C ATOM 27 OE1 GLU A 2 17.432 12.286 -11.661 1.00 1.00 O ATOM 28 OE2 GLU A 2 18.595 10.976 -10.406 1.00 1.00 O ATOM 0 H GLU A 2 12.723 10.939 -9.751 1.00 1.00 H new ATOM 0 HA GLU A 2 14.696 12.195 -7.975 1.00 1.00 H new ATOM 0 HB2 GLU A 2 14.810 12.283 -11.029 1.00 1.00 H new ATOM 0 HB3 GLU A 2 15.775 13.285 -9.963 1.00 1.00 H new ATOM 0 HG2 GLU A 2 16.568 11.055 -8.860 1.00 1.00 H new ATOM 0 HG3 GLU A 2 15.864 10.250 -10.248 1.00 1.00 H new ATOM 35 N GLU A 3 12.457 13.542 -7.983 1.00 1.00 N ATOM 36 CA GLU A 3 11.486 14.629 -7.951 1.00 1.00 C ATOM 37 C GLU A 3 12.177 15.972 -8.168 1.00 1.00 C ATOM 38 O GLU A 3 13.129 16.312 -7.466 1.00 1.00 O ATOM 39 CB GLU A 3 10.759 14.639 -6.605 1.00 1.00 C ATOM 40 CG GLU A 3 9.654 13.581 -6.613 1.00 1.00 C ATOM 41 CD GLU A 3 8.967 13.533 -5.252 1.00 1.00 C ATOM 42 OE1 GLU A 3 9.198 14.435 -4.463 1.00 1.00 O ATOM 43 OE2 GLU A 3 8.220 12.598 -5.020 1.00 1.00 O ATOM 0 H GLU A 3 12.476 12.963 -7.143 1.00 1.00 H new ATOM 0 HA GLU A 3 10.765 14.471 -8.753 1.00 1.00 H new ATOM 0 HB2 GLU A 3 11.463 14.438 -5.798 1.00 1.00 H new ATOM 0 HB3 GLU A 3 10.332 15.624 -6.418 1.00 1.00 H new ATOM 0 HG2 GLU A 3 8.925 13.811 -7.390 1.00 1.00 H new ATOM 0 HG3 GLU A 3 10.076 12.605 -6.851 1.00 1.00 H new ATOM 50 N GLY A 4 11.690 16.730 -9.145 1.00 1.00 N ATOM 51 CA GLY A 4 12.269 18.035 -9.446 1.00 1.00 C ATOM 52 C GLY A 4 11.191 19.021 -9.882 1.00 1.00 C ATOM 53 O GLY A 4 11.161 20.164 -9.425 1.00 1.00 O ATOM 0 H GLY A 4 10.903 16.467 -9.738 1.00 1.00 H new ATOM 0 HA2 GLY A 4 12.785 18.420 -8.567 1.00 1.00 H new ATOM 0 HA3 GLY A 4 13.015 17.933 -10.234 1.00 1.00 H new ATOM 57 N GLY A 5 10.308 18.572 -10.768 1.00 1.00 N ATOM 58 CA GLY A 5 9.232 19.426 -11.259 1.00 1.00 C ATOM 59 C GLY A 5 8.859 19.063 -12.691 1.00 1.00 C ATOM 60 O GLY A 5 9.671 19.198 -13.607 1.00 1.00 O ATOM 0 H GLY A 5 10.315 17.630 -11.158 1.00 1.00 H new ATOM 0 HA2 GLY A 5 8.359 19.324 -10.615 1.00 1.00 H new ATOM 0 HA3 GLY A 5 9.542 20.470 -11.213 1.00 1.00 H new ATOM 64 N ASP A 6 7.627 18.600 -12.877 1.00 1.00 N ATOM 65 CA ASP A 6 7.156 18.219 -14.203 1.00 1.00 C ATOM 66 C ASP A 6 6.965 19.450 -15.082 1.00 1.00 C ATOM 67 O ASP A 6 6.351 19.375 -16.146 1.00 1.00 O ATOM 68 CB ASP A 6 5.833 17.459 -14.087 1.00 1.00 C ATOM 69 CG ASP A 6 5.627 16.582 -15.317 1.00 1.00 C ATOM 70 OD1 ASP A 6 5.742 17.099 -16.416 1.00 1.00 O ATOM 71 OD2 ASP A 6 5.356 15.405 -15.142 1.00 1.00 O ATOM 0 H ASP A 6 6.941 18.480 -12.132 1.00 1.00 H new ATOM 0 HA ASP A 6 7.906 17.576 -14.663 1.00 1.00 H new ATOM 0 HB2 ASP A 6 5.835 16.844 -13.187 1.00 1.00 H new ATOM 0 HB3 ASP A 6 5.007 18.163 -13.990 1.00 1.00 H new ATOM 76 N PHE A 7 7.493 20.584 -14.630 1.00 1.00 N ATOM 77 CA PHE A 7 7.371 21.824 -15.386 1.00 1.00 C ATOM 78 C PHE A 7 8.630 22.672 -15.231 1.00 1.00 C ATOM 79 O PHE A 7 8.698 23.796 -15.726 1.00 1.00 O ATOM 80 CB PHE A 7 6.158 22.615 -14.896 1.00 1.00 C ATOM 81 CG PHE A 7 4.936 22.201 -15.680 1.00 1.00 C ATOM 82 CD1 PHE A 7 4.251 21.028 -15.339 1.00 1.00 C ATOM 83 CD2 PHE A 7 4.490 22.987 -16.748 1.00 1.00 C ATOM 84 CE1 PHE A 7 3.118 20.644 -16.067 1.00 1.00 C ATOM 85 CE2 PHE A 7 3.357 22.603 -17.476 1.00 1.00 C ATOM 86 CZ PHE A 7 2.671 21.430 -17.135 1.00 1.00 C ATOM 0 H PHE A 7 8.005 20.669 -13.752 1.00 1.00 H new ATOM 0 HA PHE A 7 7.242 21.575 -16.439 1.00 1.00 H new ATOM 0 HB2 PHE A 7 5.999 22.435 -13.833 1.00 1.00 H new ATOM 0 HB3 PHE A 7 6.335 23.684 -15.016 1.00 1.00 H new ATOM 0 HD1 PHE A 7 4.596 20.420 -14.516 1.00 1.00 H new ATOM 0 HD2 PHE A 7 5.020 23.891 -17.011 1.00 1.00 H new ATOM 0 HE1 PHE A 7 2.589 19.740 -15.804 1.00 1.00 H new ATOM 0 HE2 PHE A 7 3.012 23.211 -18.300 1.00 1.00 H new ATOM 0 HZ PHE A 7 1.798 21.132 -17.696 1.00 1.00 H new ATOM 96 N ASP A 8 9.624 22.124 -14.538 1.00 1.00 N ATOM 97 CA ASP A 8 10.877 22.839 -14.324 1.00 1.00 C ATOM 98 C ASP A 8 11.424 23.371 -15.645 1.00 1.00 C ATOM 99 O ASP A 8 11.562 22.625 -16.615 1.00 1.00 O ATOM 100 CB ASP A 8 11.906 21.909 -13.681 1.00 1.00 C ATOM 101 CG ASP A 8 12.315 20.821 -14.668 1.00 1.00 C ATOM 102 OD1 ASP A 8 13.086 21.121 -15.564 1.00 1.00 O ATOM 103 OD2 ASP A 8 11.851 19.703 -14.514 1.00 1.00 O ATOM 0 H ASP A 8 9.587 21.195 -14.118 1.00 1.00 H new ATOM 0 HA ASP A 8 10.683 23.681 -13.659 1.00 1.00 H new ATOM 0 HB2 ASP A 8 12.782 22.480 -13.373 1.00 1.00 H new ATOM 0 HB3 ASP A 8 11.488 21.457 -12.782 1.00 1.00 H new ATOM 108 N ASN A 9 11.733 24.663 -15.675 1.00 1.00 N ATOM 109 CA ASN A 9 12.265 25.282 -16.884 1.00 1.00 C ATOM 110 C ASN A 9 13.786 25.184 -16.911 1.00 1.00 C ATOM 111 O ASN A 9 14.446 25.852 -17.708 1.00 1.00 O ATOM 112 CB ASN A 9 11.845 26.752 -16.944 1.00 1.00 C ATOM 113 CG ASN A 9 10.817 26.956 -18.052 1.00 1.00 C ATOM 114 OD1 ASN A 9 9.715 27.440 -17.796 1.00 1.00 O ATOM 115 ND2 ASN A 9 11.113 26.613 -19.276 1.00 1.00 N ATOM 0 H ASN A 9 11.626 25.297 -14.884 1.00 1.00 H new ATOM 0 HA ASN A 9 11.863 24.753 -17.748 1.00 1.00 H new ATOM 0 HB2 ASN A 9 11.425 27.058 -15.986 1.00 1.00 H new ATOM 0 HB3 ASN A 9 12.717 27.381 -17.125 1.00 1.00 H new ATOM 0 HD21 ASN A 9 10.430 26.746 -20.022 1.00 1.00 H new ATOM 0 HD22 ASN A 9 12.027 26.212 -19.486 1.00 1.00 H new ATOM 122 N TYR A 10 14.337 24.349 -16.037 1.00 1.00 N ATOM 123 CA TYR A 10 15.783 24.171 -15.970 1.00 1.00 C ATOM 124 C TYR A 10 16.466 25.478 -15.582 1.00 1.00 C ATOM 125 O TYR A 10 16.977 25.617 -14.471 1.00 1.00 O ATOM 126 CB TYR A 10 16.313 23.697 -17.324 1.00 1.00 C ATOM 127 CG TYR A 10 15.372 22.669 -17.903 1.00 1.00 C ATOM 128 CD1 TYR A 10 15.375 21.359 -17.407 1.00 1.00 C ATOM 129 CD2 TYR A 10 14.495 23.024 -18.934 1.00 1.00 C ATOM 130 CE1 TYR A 10 14.502 20.406 -17.944 1.00 1.00 C ATOM 131 CE2 TYR A 10 13.622 22.071 -19.471 1.00 1.00 C ATOM 132 CZ TYR A 10 13.625 20.761 -18.976 1.00 1.00 C ATOM 133 OH TYR A 10 12.764 19.821 -19.505 1.00 1.00 O ATOM 0 H TYR A 10 13.808 23.788 -15.369 1.00 1.00 H new ATOM 0 HA TYR A 10 16.004 23.421 -15.211 1.00 1.00 H new ATOM 0 HB2 TYR A 10 16.408 24.543 -18.005 1.00 1.00 H new ATOM 0 HB3 TYR A 10 17.308 23.269 -17.207 1.00 1.00 H new ATOM 0 HD1 TYR A 10 16.051 21.084 -16.610 1.00 1.00 H new ATOM 0 HD2 TYR A 10 14.492 24.034 -19.316 1.00 1.00 H new ATOM 0 HE1 TYR A 10 14.505 19.396 -17.562 1.00 1.00 H new ATOM 0 HE2 TYR A 10 12.946 22.346 -20.267 1.00 1.00 H new ATOM 0 HH TYR A 10 12.224 20.233 -20.211 1.00 1.00 H new ATOM 143 N TYR A 11 16.471 26.434 -16.505 1.00 1.00 N ATOM 144 CA TYR A 11 17.095 27.728 -16.248 1.00 1.00 C ATOM 145 C TYR A 11 18.612 27.585 -16.173 1.00 1.00 C ATOM 146 O TYR A 11 19.127 26.592 -15.660 1.00 1.00 O ATOM 147 CB TYR A 11 16.569 28.309 -14.935 1.00 1.00 C ATOM 148 CG TYR A 11 16.528 29.816 -15.032 1.00 1.00 C ATOM 149 CD1 TYR A 11 15.398 30.453 -15.560 1.00 1.00 C ATOM 150 CD2 TYR A 11 17.619 30.575 -14.594 1.00 1.00 C ATOM 151 CE1 TYR A 11 15.360 31.850 -15.650 1.00 1.00 C ATOM 152 CE2 TYR A 11 17.581 31.971 -14.685 1.00 1.00 C ATOM 153 CZ TYR A 11 16.452 32.608 -15.213 1.00 1.00 C ATOM 154 OH TYR A 11 16.414 33.985 -15.301 1.00 1.00 O ATOM 0 H TYR A 11 16.054 26.339 -17.431 1.00 1.00 H new ATOM 0 HA TYR A 11 16.845 28.401 -17.068 1.00 1.00 H new ATOM 0 HB2 TYR A 11 15.572 27.920 -14.726 1.00 1.00 H new ATOM 0 HB3 TYR A 11 17.210 28.004 -14.108 1.00 1.00 H new ATOM 0 HD1 TYR A 11 14.556 29.867 -15.898 1.00 1.00 H new ATOM 0 HD2 TYR A 11 18.490 30.084 -14.186 1.00 1.00 H new ATOM 0 HE1 TYR A 11 14.489 32.342 -16.056 1.00 1.00 H new ATOM 0 HE2 TYR A 11 18.423 32.557 -14.348 1.00 1.00 H new ATOM 0 HH TYR A 11 17.251 34.358 -14.954 1.00 1.00 H new ATOM 164 N GLY A 12 19.321 28.584 -16.687 1.00 1.00 N ATOM 165 CA GLY A 12 20.779 28.559 -16.672 1.00 1.00 C ATOM 166 C GLY A 12 21.304 27.175 -17.033 1.00 1.00 C ATOM 167 O GLY A 12 22.295 26.709 -16.470 1.00 1.00 O ATOM 0 H GLY A 12 18.914 29.415 -17.116 1.00 1.00 H new ATOM 0 HA2 GLY A 12 21.166 29.294 -17.377 1.00 1.00 H new ATOM 0 HA3 GLY A 12 21.141 28.843 -15.684 1.00 1.00 H new ATOM 171 N ALA A 13 20.633 26.520 -17.975 1.00 1.00 N ATOM 172 CA ALA A 13 21.041 25.187 -18.404 1.00 1.00 C ATOM 173 C ALA A 13 22.282 25.265 -19.287 1.00 1.00 C ATOM 174 O ALA A 13 23.286 24.602 -19.025 1.00 1.00 O ATOM 175 CB ALA A 13 19.904 24.515 -19.176 1.00 1.00 C ATOM 0 H ALA A 13 19.810 26.887 -18.453 1.00 1.00 H new ATOM 0 HA ALA A 13 21.276 24.597 -17.518 1.00 1.00 H new ATOM 0 HB1 ALA A 13 20.217 23.520 -19.493 1.00 1.00 H new ATOM 0 HB2 ALA A 13 19.027 24.432 -18.534 1.00 1.00 H new ATOM 0 HB3 ALA A 13 19.656 25.113 -20.053 1.00 1.00 H new ATOM 181 N ASP A 14 22.206 26.079 -20.335 1.00 1.00 N ATOM 182 CA ASP A 14 23.329 26.236 -21.252 1.00 1.00 C ATOM 183 C ASP A 14 24.615 26.515 -20.480 1.00 1.00 C ATOM 184 O ASP A 14 25.715 26.296 -20.987 1.00 1.00 O ATOM 185 CB ASP A 14 23.055 27.386 -22.223 1.00 1.00 C ATOM 186 CG ASP A 14 23.732 28.660 -21.727 1.00 1.00 C ATOM 187 OD1 ASP A 14 24.877 28.877 -22.087 1.00 1.00 O ATOM 188 OD2 ASP A 14 23.094 29.399 -20.996 1.00 1.00 O ATOM 0 H ASP A 14 21.385 26.637 -20.569 1.00 1.00 H new ATOM 0 HA ASP A 14 23.448 25.309 -21.813 1.00 1.00 H new ATOM 0 HB2 ASP A 14 23.425 27.131 -23.216 1.00 1.00 H new ATOM 0 HB3 ASP A 14 21.981 27.547 -22.315 1.00 1.00 H new ATOM 193 N ASN A 15 24.469 27.001 -19.252 1.00 1.00 N ATOM 194 CA ASN A 15 25.626 27.307 -18.418 1.00 1.00 C ATOM 195 C ASN A 15 26.346 26.026 -18.011 1.00 1.00 C ATOM 196 O ASN A 15 27.561 25.906 -18.173 1.00 1.00 O ATOM 197 CB ASN A 15 25.183 28.066 -17.166 1.00 1.00 C ATOM 198 CG ASN A 15 25.716 29.494 -17.206 1.00 1.00 C ATOM 199 OD1 ASN A 15 26.458 29.905 -16.314 1.00 1.00 O ATOM 200 ND2 ASN A 15 25.382 30.278 -18.194 1.00 1.00 N ATOM 0 H ASN A 15 23.567 27.191 -18.814 1.00 1.00 H new ATOM 0 HA ASN A 15 26.311 27.928 -18.995 1.00 1.00 H new ATOM 0 HB2 ASN A 15 24.095 28.077 -17.103 1.00 1.00 H new ATOM 0 HB3 ASN A 15 25.549 27.557 -16.274 1.00 1.00 H new ATOM 0 HD21 ASN A 15 25.736 31.234 -18.229 1.00 1.00 H new ATOM 0 HD22 ASN A 15 24.767 29.935 -18.932 1.00 1.00 H new ATOM 207 N GLN A 16 25.589 25.071 -17.481 1.00 1.00 N ATOM 208 CA GLN A 16 26.166 23.801 -17.054 1.00 1.00 C ATOM 209 C GLN A 16 25.980 22.737 -18.131 1.00 1.00 C ATOM 210 O GLN A 16 25.636 21.593 -17.834 1.00 1.00 O ATOM 211 CB GLN A 16 25.503 23.337 -15.755 1.00 1.00 C ATOM 212 CG GLN A 16 25.130 24.555 -14.909 1.00 1.00 C ATOM 213 CD GLN A 16 24.796 24.118 -13.486 1.00 1.00 C ATOM 214 OE1 GLN A 16 23.785 24.543 -12.927 1.00 1.00 O ATOM 215 NE2 GLN A 16 25.590 23.289 -12.864 1.00 1.00 N ATOM 0 H GLN A 16 24.582 25.151 -17.338 1.00 1.00 H new ATOM 0 HA GLN A 16 27.233 23.947 -16.886 1.00 1.00 H new ATOM 0 HB2 GLN A 16 24.612 22.750 -15.979 1.00 1.00 H new ATOM 0 HB3 GLN A 16 26.181 22.689 -15.200 1.00 1.00 H new ATOM 0 HG2 GLN A 16 25.956 25.266 -14.896 1.00 1.00 H new ATOM 0 HG3 GLN A 16 24.276 25.068 -15.351 1.00 1.00 H new ATOM 0 HE21 GLN A 16 26.427 22.938 -13.329 1.00 1.00 H new ATOM 0 HE22 GLN A 16 25.373 22.992 -11.913 1.00 1.00 H new ATOM 224 N SER A 17 26.209 23.123 -19.382 1.00 1.00 N ATOM 225 CA SER A 17 26.063 22.193 -20.496 1.00 1.00 C ATOM 226 C SER A 17 27.405 21.554 -20.841 1.00 1.00 C ATOM 227 O SER A 17 28.211 22.136 -21.568 1.00 1.00 O ATOM 228 CB SER A 17 25.516 22.928 -21.720 1.00 1.00 C ATOM 229 OG SER A 17 24.120 22.688 -21.828 1.00 1.00 O ATOM 0 H SER A 17 26.494 24.065 -19.649 1.00 1.00 H new ATOM 0 HA SER A 17 25.366 21.409 -20.201 1.00 1.00 H new ATOM 0 HB2 SER A 17 25.707 23.998 -21.631 1.00 1.00 H new ATOM 0 HB3 SER A 17 26.026 22.587 -22.621 1.00 1.00 H new ATOM 0 HG SER A 17 23.767 23.160 -22.611 1.00 1.00 H new ATOM 235 N GLU A 18 27.636 20.357 -20.314 1.00 1.00 N ATOM 236 CA GLU A 18 28.885 19.648 -20.573 1.00 1.00 C ATOM 237 C GLU A 18 30.071 20.603 -20.483 1.00 1.00 C ATOM 238 O GLU A 18 30.988 20.548 -21.303 1.00 1.00 O ATOM 239 CB GLU A 18 28.844 19.010 -21.963 1.00 1.00 C ATOM 240 CG GLU A 18 29.643 17.705 -21.949 1.00 1.00 C ATOM 241 CD GLU A 18 30.984 17.922 -21.256 1.00 1.00 C ATOM 242 OE1 GLU A 18 31.922 18.308 -21.934 1.00 1.00 O ATOM 243 OE2 GLU A 18 31.052 17.698 -20.060 1.00 1.00 O ATOM 0 H GLU A 18 26.982 19.860 -19.710 1.00 1.00 H new ATOM 0 HA GLU A 18 29.003 18.869 -19.820 1.00 1.00 H new ATOM 0 HB2 GLU A 18 27.812 18.814 -22.255 1.00 1.00 H new ATOM 0 HB3 GLU A 18 29.259 19.695 -22.702 1.00 1.00 H new ATOM 0 HG2 GLU A 18 29.079 16.929 -21.432 1.00 1.00 H new ATOM 0 HG3 GLU A 18 29.804 17.356 -22.969 1.00 1.00 H new ATOM 250 N CYS A 19 30.047 21.477 -19.483 1.00 1.00 N ATOM 251 CA CYS A 19 31.126 22.439 -19.296 1.00 1.00 C ATOM 252 C CYS A 19 32.280 21.807 -18.526 1.00 1.00 C ATOM 253 O CYS A 19 32.617 22.242 -17.424 1.00 1.00 O ATOM 254 CB CYS A 19 30.611 23.661 -18.534 1.00 1.00 C ATOM 255 SG CYS A 19 29.870 23.129 -16.970 1.00 1.00 S ATOM 0 H CYS A 19 29.298 21.539 -18.794 1.00 1.00 H new ATOM 0 HA CYS A 19 31.485 22.748 -20.278 1.00 1.00 H new ATOM 0 HB2 CYS A 19 31.429 24.355 -18.343 1.00 1.00 H new ATOM 0 HB3 CYS A 19 29.874 24.194 -19.135 1.00 1.00 H new ATOM 0 HG CYS A 19 29.588 21.861 -17.032 1.00 1.00 H new ATOM 261 N GLU A 20 32.884 20.778 -19.113 1.00 1.00 N ATOM 262 CA GLU A 20 34.000 20.093 -18.472 1.00 1.00 C ATOM 263 C GLU A 20 33.722 19.889 -16.985 1.00 1.00 C ATOM 264 O GLU A 20 34.536 20.252 -16.136 1.00 1.00 O ATOM 265 CB GLU A 20 35.283 20.908 -18.645 1.00 1.00 C ATOM 266 CG GLU A 20 35.450 21.291 -20.117 1.00 1.00 C ATOM 267 CD GLU A 20 36.845 21.858 -20.354 1.00 1.00 C ATOM 268 OE1 GLU A 20 37.663 21.760 -19.454 1.00 1.00 O ATOM 269 OE2 GLU A 20 37.076 22.380 -21.432 1.00 1.00 O ATOM 0 H GLU A 20 32.622 20.403 -20.024 1.00 1.00 H new ATOM 0 HA GLU A 20 34.122 19.118 -18.945 1.00 1.00 H new ATOM 0 HB2 GLU A 20 35.243 21.805 -18.027 1.00 1.00 H new ATOM 0 HB3 GLU A 20 36.143 20.328 -18.309 1.00 1.00 H new ATOM 0 HG2 GLU A 20 35.292 20.417 -20.749 1.00 1.00 H new ATOM 0 HG3 GLU A 20 34.697 22.027 -20.397 1.00 1.00 H new ATOM 276 N TYR A 21 32.567 19.309 -16.679 1.00 1.00 N ATOM 277 CA TYR A 21 32.191 19.062 -15.291 1.00 1.00 C ATOM 278 C TYR A 21 31.436 17.743 -15.166 1.00 1.00 C ATOM 279 O TYR A 21 30.648 17.553 -14.241 1.00 1.00 O ATOM 280 CB TYR A 21 31.313 20.205 -14.778 1.00 1.00 C ATOM 281 CG TYR A 21 29.880 19.961 -15.185 1.00 1.00 C ATOM 282 CD1 TYR A 21 29.489 20.149 -16.516 1.00 1.00 C ATOM 283 CD2 TYR A 21 28.942 19.549 -14.232 1.00 1.00 C ATOM 284 CE1 TYR A 21 28.161 19.923 -16.894 1.00 1.00 C ATOM 285 CE2 TYR A 21 27.613 19.323 -14.609 1.00 1.00 C ATOM 286 CZ TYR A 21 27.222 19.510 -15.941 1.00 1.00 C ATOM 287 OH TYR A 21 25.912 19.288 -16.313 1.00 1.00 O ATOM 0 H TYR A 21 31.879 19.003 -17.367 1.00 1.00 H new ATOM 0 HA TYR A 21 33.100 19.004 -14.693 1.00 1.00 H new ATOM 0 HB2 TYR A 21 31.387 20.276 -13.693 1.00 1.00 H new ATOM 0 HB3 TYR A 21 31.661 21.155 -15.184 1.00 1.00 H new ATOM 0 HD1 TYR A 21 30.213 20.469 -17.251 1.00 1.00 H new ATOM 0 HD2 TYR A 21 29.244 19.405 -13.205 1.00 1.00 H new ATOM 0 HE1 TYR A 21 27.860 20.067 -17.921 1.00 1.00 H new ATOM 0 HE2 TYR A 21 26.889 19.005 -13.873 1.00 1.00 H new ATOM 0 HH TYR A 21 25.599 20.032 -16.869 1.00 1.00 H new ATOM 297 N THR A 22 31.684 16.833 -16.104 1.00 1.00 N ATOM 298 CA THR A 22 31.021 15.535 -16.089 1.00 1.00 C ATOM 299 C THR A 22 31.965 14.446 -16.586 1.00 1.00 C ATOM 300 O THR A 22 31.956 13.323 -16.080 1.00 1.00 O ATOM 301 CB THR A 22 29.772 15.574 -16.972 1.00 1.00 C ATOM 302 OG1 THR A 22 30.136 15.289 -18.316 1.00 1.00 O ATOM 303 CG2 THR A 22 29.135 16.963 -16.897 1.00 1.00 C ATOM 0 H THR A 22 32.334 16.970 -16.878 1.00 1.00 H new ATOM 0 HA THR A 22 30.731 15.308 -15.063 1.00 1.00 H new ATOM 0 HB THR A 22 29.056 14.830 -16.623 1.00 1.00 H new ATOM 0 HG1 THR A 22 30.404 16.118 -18.765 1.00 1.00 H new ATOM 0 HG21 THR A 22 28.245 16.990 -17.526 1.00 1.00 H new ATOM 0 HG22 THR A 22 28.857 17.180 -15.866 1.00 1.00 H new ATOM 0 HG23 THR A 22 29.848 17.710 -17.245 1.00 1.00 H new ATOM 311 N ASP A 23 32.778 14.783 -17.582 1.00 1.00 N ATOM 312 CA ASP A 23 33.724 13.824 -18.141 1.00 1.00 C ATOM 313 C ASP A 23 35.108 14.018 -17.529 1.00 1.00 C ATOM 314 O ASP A 23 36.125 13.798 -18.188 1.00 1.00 O ATOM 315 CB ASP A 23 33.807 13.997 -19.659 1.00 1.00 C ATOM 316 CG ASP A 23 32.425 13.826 -20.279 1.00 1.00 C ATOM 317 OD1 ASP A 23 31.766 12.853 -19.953 1.00 1.00 O ATOM 318 OD2 ASP A 23 32.046 14.671 -21.074 1.00 1.00 O ATOM 0 H ASP A 23 32.801 15.706 -18.016 1.00 1.00 H new ATOM 0 HA ASP A 23 33.374 12.818 -17.908 1.00 1.00 H new ATOM 0 HB2 ASP A 23 34.203 14.983 -19.900 1.00 1.00 H new ATOM 0 HB3 ASP A 23 34.497 13.265 -20.080 1.00 1.00 H new ATOM 323 N TRP A 24 35.139 14.431 -16.266 1.00 1.00 N ATOM 324 CA TRP A 24 36.406 14.650 -15.577 1.00 1.00 C ATOM 325 C TRP A 24 36.174 14.886 -14.088 1.00 1.00 C ATOM 326 O TRP A 24 36.994 14.501 -13.255 1.00 1.00 O ATOM 327 CB TRP A 24 37.126 15.857 -16.180 1.00 1.00 C ATOM 328 CG TRP A 24 36.773 17.086 -15.405 1.00 1.00 C ATOM 329 CD1 TRP A 24 35.540 17.640 -15.347 1.00 1.00 C ATOM 330 CD2 TRP A 24 37.637 17.921 -14.581 1.00 1.00 C ATOM 331 NE1 TRP A 24 35.593 18.762 -14.539 1.00 1.00 N ATOM 332 CE2 TRP A 24 36.863 18.976 -14.044 1.00 1.00 C ATOM 333 CE3 TRP A 24 39.003 17.866 -14.251 1.00 1.00 C ATOM 334 CZ2 TRP A 24 37.424 19.943 -13.208 1.00 1.00 C ATOM 335 CZ3 TRP A 24 39.572 18.837 -13.411 1.00 1.00 C ATOM 336 CH2 TRP A 24 38.784 19.873 -12.890 1.00 1.00 C ATOM 0 H TRP A 24 34.310 14.619 -15.703 1.00 1.00 H new ATOM 0 HA TRP A 24 37.023 13.760 -15.700 1.00 1.00 H new ATOM 0 HB2 TRP A 24 38.204 15.698 -16.160 1.00 1.00 H new ATOM 0 HB3 TRP A 24 36.842 15.979 -17.225 1.00 1.00 H new ATOM 0 HD1 TRP A 24 34.659 17.268 -15.849 1.00 1.00 H new ATOM 0 HE1 TRP A 24 34.791 19.358 -14.334 1.00 1.00 H new ATOM 0 HE3 TRP A 24 39.619 17.072 -14.646 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 36.812 20.739 -12.810 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 40.622 18.785 -13.165 1.00 1.00 H new ATOM 0 HH2 TRP A 24 39.227 20.616 -12.244 1.00 1.00 H new ATOM 347 N LYS A 25 35.051 15.518 -13.761 1.00 1.00 N ATOM 348 CA LYS A 25 34.717 15.801 -12.369 1.00 1.00 C ATOM 349 C LYS A 25 35.785 16.684 -11.728 1.00 1.00 C ATOM 350 O LYS A 25 35.563 17.872 -11.498 1.00 1.00 O ATOM 351 CB LYS A 25 34.586 14.492 -11.585 1.00 1.00 C ATOM 352 CG LYS A 25 33.160 14.349 -11.050 1.00 1.00 C ATOM 353 CD LYS A 25 32.185 14.179 -12.219 1.00 1.00 C ATOM 354 CE LYS A 25 31.049 15.196 -12.088 1.00 1.00 C ATOM 355 NZ LYS A 25 30.492 15.145 -10.707 1.00 1.00 N ATOM 0 H LYS A 25 34.360 15.843 -14.437 1.00 1.00 H new ATOM 0 HA LYS A 25 33.765 16.332 -12.344 1.00 1.00 H new ATOM 0 HB2 LYS A 25 34.829 13.646 -12.228 1.00 1.00 H new ATOM 0 HB3 LYS A 25 35.297 14.479 -10.759 1.00 1.00 H new ATOM 0 HG2 LYS A 25 33.096 13.490 -10.383 1.00 1.00 H new ATOM 0 HG3 LYS A 25 32.891 15.228 -10.464 1.00 1.00 H new ATOM 0 HD2 LYS A 25 32.707 14.321 -13.165 1.00 1.00 H new ATOM 0 HD3 LYS A 25 31.782 13.166 -12.226 1.00 1.00 H new ATOM 0 HE2 LYS A 25 31.417 16.198 -12.306 1.00 1.00 H new ATOM 0 HE3 LYS A 25 30.267 14.979 -12.815 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 29.470 15.334 -10.738 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 30.657 14.202 -10.301 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 30.959 15.863 -10.117 1.00 1.00 H new ATOM 369 N SER A 26 36.942 16.095 -11.443 1.00 1.00 N ATOM 370 CA SER A 26 38.035 16.841 -10.829 1.00 1.00 C ATOM 371 C SER A 26 39.291 15.979 -10.744 1.00 1.00 C ATOM 372 O SER A 26 40.241 16.174 -11.502 1.00 1.00 O ATOM 373 CB SER A 26 37.633 17.297 -9.426 1.00 1.00 C ATOM 374 OG SER A 26 36.399 16.689 -9.071 1.00 1.00 O ATOM 0 H SER A 26 37.146 15.112 -11.625 1.00 1.00 H new ATOM 0 HA SER A 26 38.247 17.713 -11.448 1.00 1.00 H new ATOM 0 HB2 SER A 26 38.406 17.025 -8.707 1.00 1.00 H new ATOM 0 HB3 SER A 26 37.539 18.383 -9.397 1.00 1.00 H new ATOM 0 HG SER A 26 35.693 17.369 -9.050 1.00 1.00 H new ATOM 380 N SER A 27 39.287 15.026 -9.818 1.00 1.00 N ATOM 381 CA SER A 27 40.433 14.140 -9.643 1.00 1.00 C ATOM 382 C SER A 27 41.607 14.899 -9.032 1.00 1.00 C ATOM 383 O SER A 27 42.589 14.298 -8.597 1.00 1.00 O ATOM 384 CB SER A 27 40.849 13.553 -10.992 1.00 1.00 C ATOM 385 OG SER A 27 41.187 12.183 -10.822 1.00 1.00 O ATOM 0 H SER A 27 38.510 14.848 -9.182 1.00 1.00 H new ATOM 0 HA SER A 27 40.146 13.333 -8.969 1.00 1.00 H new ATOM 0 HB2 SER A 27 40.036 13.653 -11.711 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.700 14.103 -11.394 1.00 1.00 H new ATOM 0 HG SER A 27 41.453 11.802 -11.685 1.00 1.00 H new ATOM 391 N GLY A 28 41.497 16.224 -9.003 1.00 1.00 N ATOM 392 CA GLY A 28 42.554 17.056 -8.442 1.00 1.00 C ATOM 393 C GLY A 28 41.976 18.325 -7.825 1.00 1.00 C ATOM 394 O GLY A 28 42.707 19.267 -7.520 1.00 1.00 O ATOM 0 H GLY A 28 40.693 16.741 -9.359 1.00 1.00 H new ATOM 0 HA2 GLY A 28 43.101 16.495 -7.684 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.269 17.319 -9.222 1.00 1.00 H new ATOM 398 N ALA A 29 40.659 18.340 -7.643 1.00 1.00 N ATOM 399 CA ALA A 29 39.992 19.498 -7.060 1.00 1.00 C ATOM 400 C ALA A 29 38.618 19.110 -6.522 1.00 1.00 C ATOM 401 O ALA A 29 37.602 19.681 -6.917 1.00 1.00 O ATOM 402 CB ALA A 29 39.839 20.598 -8.111 1.00 1.00 C ATOM 0 H ALA A 29 40.037 17.570 -7.889 1.00 1.00 H new ATOM 0 HA ALA A 29 40.602 19.867 -6.235 1.00 1.00 H new ATOM 0 HB1 ALA A 29 39.340 21.459 -7.667 1.00 1.00 H new ATOM 0 HB2 ALA A 29 40.823 20.896 -8.472 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.245 20.224 -8.945 1.00 1.00 H new ATOM 408 N LEU A 30 38.601 18.135 -5.620 1.00 1.00 N ATOM 409 CA LEU A 30 37.349 17.671 -5.029 1.00 1.00 C ATOM 410 C LEU A 30 37.626 16.669 -3.911 1.00 1.00 C ATOM 411 O LEU A 30 36.850 16.549 -2.964 1.00 1.00 O ATOM 412 CB LEU A 30 36.475 17.013 -6.105 1.00 1.00 C ATOM 413 CG LEU A 30 35.098 16.661 -5.526 1.00 1.00 C ATOM 414 CD1 LEU A 30 34.351 17.937 -5.122 1.00 1.00 C ATOM 415 CD2 LEU A 30 34.282 15.915 -6.584 1.00 1.00 C ATOM 0 H LEU A 30 39.434 17.652 -5.283 1.00 1.00 H new ATOM 0 HA LEU A 30 36.824 18.530 -4.611 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.359 17.688 -6.953 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.962 16.112 -6.479 1.00 1.00 H new ATOM 0 HG LEU A 30 35.233 16.033 -4.645 1.00 1.00 H new ATOM 0 HD11 LEU A 30 33.376 17.674 -4.713 1.00 1.00 H new ATOM 0 HD12 LEU A 30 34.928 18.473 -4.368 1.00 1.00 H new ATOM 0 HD13 LEU A 30 34.217 18.573 -5.997 1.00 1.00 H new ATOM 0 HD21 LEU A 30 33.303 15.663 -6.177 1.00 1.00 H new ATOM 0 HD22 LEU A 30 34.158 16.549 -7.462 1.00 1.00 H new ATOM 0 HD23 LEU A 30 34.803 15.001 -6.868 1.00 1.00 H new ATOM 427 N ILE A 31 38.737 15.952 -4.033 1.00 1.00 N ATOM 428 CA ILE A 31 39.113 14.961 -3.032 1.00 1.00 C ATOM 429 C ILE A 31 39.555 15.630 -1.728 1.00 1.00 C ATOM 430 O ILE A 31 39.233 15.148 -0.642 1.00 1.00 O ATOM 431 CB ILE A 31 40.242 14.068 -3.561 1.00 1.00 C ATOM 432 CG1 ILE A 31 40.273 14.127 -5.092 1.00 1.00 C ATOM 433 CG2 ILE A 31 40.001 12.624 -3.114 1.00 1.00 C ATOM 434 CD1 ILE A 31 41.051 12.930 -5.635 1.00 1.00 C ATOM 0 H ILE A 31 39.391 16.038 -4.811 1.00 1.00 H new ATOM 0 HA ILE A 31 38.235 14.349 -2.826 1.00 1.00 H new ATOM 0 HB ILE A 31 41.195 14.420 -3.166 1.00 1.00 H new ATOM 0 HG12 ILE A 31 39.257 14.123 -5.487 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.739 15.056 -5.421 1.00 1.00 H new ATOM 0 HG21 ILE A 31 40.803 11.988 -3.489 1.00 1.00 H new ATOM 0 HG22 ILE A 31 39.982 12.579 -2.025 1.00 1.00 H new ATOM 0 HG23 ILE A 31 39.047 12.275 -3.509 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.072 12.973 -6.724 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.071 12.954 -5.251 1.00 1.00 H new ATOM 0 HD13 ILE A 31 40.566 12.007 -5.318 1.00 1.00 H new ATOM 446 N PRO A 32 40.282 16.720 -1.806 1.00 1.00 N ATOM 447 CA PRO A 32 40.765 17.445 -0.592 1.00 1.00 C ATOM 448 C PRO A 32 39.612 17.912 0.292 1.00 1.00 C ATOM 449 O PRO A 32 39.829 18.488 1.358 1.00 1.00 O ATOM 450 CB PRO A 32 41.544 18.643 -1.151 1.00 1.00 C ATOM 451 CG PRO A 32 41.844 18.303 -2.574 1.00 1.00 C ATOM 452 CD PRO A 32 40.722 17.383 -3.043 1.00 1.00 C ATOM 0 HA PRO A 32 41.374 16.804 0.045 1.00 1.00 H new ATOM 0 HB2 PRO A 32 40.956 19.558 -1.083 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.461 18.811 -0.587 1.00 1.00 H new ATOM 0 HG2 PRO A 32 41.890 19.203 -3.187 1.00 1.00 H new ATOM 0 HG3 PRO A 32 42.812 17.810 -2.660 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.911 17.944 -3.508 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.076 16.663 -3.781 1.00 1.00 H new ATOM 460 N ALA A 33 38.388 17.659 -0.159 1.00 1.00 N ATOM 461 CA ALA A 33 37.207 18.058 0.598 1.00 1.00 C ATOM 462 C ALA A 33 36.597 16.855 1.312 1.00 1.00 C ATOM 463 O ALA A 33 36.483 16.843 2.538 1.00 1.00 O ATOM 464 CB ALA A 33 36.169 18.676 -0.341 1.00 1.00 C ATOM 0 H ALA A 33 38.188 17.183 -1.039 1.00 1.00 H new ATOM 0 HA ALA A 33 37.508 18.795 1.343 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.290 18.971 0.232 1.00 1.00 H new ATOM 0 HB2 ALA A 33 36.596 19.553 -0.829 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.881 17.945 -1.096 1.00 1.00 H new ATOM 470 N ILE A 34 36.208 15.848 0.538 1.00 1.00 N ATOM 471 CA ILE A 34 35.610 14.646 1.108 1.00 1.00 C ATOM 472 C ILE A 34 36.552 14.011 2.127 1.00 1.00 C ATOM 473 O ILE A 34 36.177 13.788 3.278 1.00 1.00 O ATOM 474 CB ILE A 34 35.303 13.639 -0.002 1.00 1.00 C ATOM 475 CG1 ILE A 34 33.986 14.021 -0.683 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.178 12.238 0.599 1.00 1.00 C ATOM 477 CD1 ILE A 34 34.103 15.428 -1.271 1.00 1.00 C ATOM 0 H ILE A 34 36.295 15.839 -0.478 1.00 1.00 H new ATOM 0 HA ILE A 34 34.684 14.926 1.610 1.00 1.00 H new ATOM 0 HB ILE A 34 36.110 13.648 -0.735 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.751 13.305 -1.471 1.00 1.00 H new ATOM 0 HG13 ILE A 34 33.168 13.983 0.037 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.959 11.521 -0.192 1.00 1.00 H new ATOM 0 HG22 ILE A 34 36.114 11.966 1.086 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.371 12.227 1.332 1.00 1.00 H new ATOM 0 HD11 ILE A 34 33.165 15.699 -1.756 1.00 1.00 H new ATOM 0 HD12 ILE A 34 34.318 16.139 -0.473 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.910 15.450 -2.004 1.00 1.00 H new ATOM 489 N TYR A 35 37.775 13.721 1.695 1.00 1.00 N ATOM 490 CA TYR A 35 38.762 13.112 2.578 1.00 1.00 C ATOM 491 C TYR A 35 39.042 14.016 3.775 1.00 1.00 C ATOM 492 O TYR A 35 39.312 13.539 4.877 1.00 1.00 O ATOM 493 CB TYR A 35 40.062 12.857 1.813 1.00 1.00 C ATOM 494 CG TYR A 35 41.229 13.383 2.614 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.628 14.718 2.475 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.913 12.536 3.494 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.710 15.206 3.216 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.995 13.024 4.236 1.00 1.00 C ATOM 499 CZ TYR A 35 43.395 14.360 4.097 1.00 1.00 C ATOM 500 OH TYR A 35 44.461 14.840 4.827 1.00 1.00 O ATOM 0 H TYR A 35 38.104 13.896 0.746 1.00 1.00 H new ATOM 0 HA TYR A 35 38.362 12.165 2.939 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.185 11.790 1.629 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.025 13.346 0.839 1.00 1.00 H new ATOM 0 HD1 TYR A 35 41.100 15.371 1.796 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.606 11.506 3.600 1.00 1.00 H new ATOM 0 HE1 TYR A 35 43.017 16.236 3.108 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.522 12.371 4.916 1.00 1.00 H new ATOM 0 HH TYR A 35 44.822 14.123 5.389 1.00 1.00 H new ATOM 510 N MET A 36 38.976 15.324 3.549 1.00 1.00 N ATOM 511 CA MET A 36 39.224 16.286 4.616 1.00 1.00 C ATOM 512 C MET A 36 38.044 16.333 5.581 1.00 1.00 C ATOM 513 O MET A 36 38.219 16.537 6.783 1.00 1.00 O ATOM 514 CB MET A 36 39.456 17.677 4.022 1.00 1.00 C ATOM 515 CG MET A 36 39.467 18.717 5.144 1.00 1.00 C ATOM 516 SD MET A 36 40.268 20.229 4.557 1.00 1.00 S ATOM 517 CE MET A 36 38.766 21.101 4.051 1.00 1.00 C ATOM 0 H MET A 36 38.755 15.739 2.644 1.00 1.00 H new ATOM 0 HA MET A 36 40.113 15.972 5.163 1.00 1.00 H new ATOM 0 HB2 MET A 36 40.402 17.700 3.482 1.00 1.00 H new ATOM 0 HB3 MET A 36 38.672 17.912 3.302 1.00 1.00 H new ATOM 0 HG2 MET A 36 38.448 18.933 5.464 1.00 1.00 H new ATOM 0 HG3 MET A 36 39.997 18.325 6.012 1.00 1.00 H new ATOM 0 HE1 MET A 36 39.031 22.079 3.650 1.00 1.00 H new ATOM 0 HE2 MET A 36 38.250 20.522 3.285 1.00 1.00 H new ATOM 0 HE3 MET A 36 38.111 21.228 4.913 1.00 1.00 H new ATOM 527 N LEU A 37 36.842 16.143 5.047 1.00 1.00 N ATOM 528 CA LEU A 37 35.638 16.166 5.871 1.00 1.00 C ATOM 529 C LEU A 37 35.680 15.051 6.911 1.00 1.00 C ATOM 530 O LEU A 37 35.283 15.245 8.060 1.00 1.00 O ATOM 531 CB LEU A 37 34.399 15.998 4.991 1.00 1.00 C ATOM 532 CG LEU A 37 34.006 17.353 4.399 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.343 17.143 3.037 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.024 18.053 5.341 1.00 1.00 C ATOM 0 H LEU A 37 36.676 15.973 4.055 1.00 1.00 H new ATOM 0 HA LEU A 37 35.591 17.126 6.385 1.00 1.00 H new ATOM 0 HB2 LEU A 37 34.601 15.285 4.192 1.00 1.00 H new ATOM 0 HB3 LEU A 37 33.575 15.593 5.578 1.00 1.00 H new ATOM 0 HG LEU A 37 34.897 17.969 4.277 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.063 18.109 2.616 1.00 1.00 H new ATOM 0 HD12 LEU A 37 34.041 16.643 2.366 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.451 16.528 3.157 1.00 1.00 H new ATOM 0 HD21 LEU A 37 32.743 19.019 4.921 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.133 17.436 5.462 1.00 1.00 H new ATOM 0 HD23 LEU A 37 33.496 18.203 6.312 1.00 1.00 H new ATOM 546 N VAL A 38 36.164 13.883 6.500 1.00 1.00 N ATOM 547 CA VAL A 38 36.254 12.743 7.405 1.00 1.00 C ATOM 548 C VAL A 38 36.991 13.130 8.683 1.00 1.00 C ATOM 549 O VAL A 38 36.674 12.641 9.767 1.00 1.00 O ATOM 550 CB VAL A 38 36.986 11.588 6.720 1.00 1.00 C ATOM 551 CG1 VAL A 38 37.058 10.393 7.672 1.00 1.00 C ATOM 552 CG2 VAL A 38 36.229 11.186 5.453 1.00 1.00 C ATOM 0 H VAL A 38 36.498 13.702 5.553 1.00 1.00 H new ATOM 0 HA VAL A 38 35.243 12.428 7.664 1.00 1.00 H new ATOM 0 HB VAL A 38 37.996 11.903 6.456 1.00 1.00 H new ATOM 0 HG11 VAL A 38 37.580 9.570 7.184 1.00 1.00 H new ATOM 0 HG12 VAL A 38 37.597 10.679 8.575 1.00 1.00 H new ATOM 0 HG13 VAL A 38 36.049 10.077 7.936 1.00 1.00 H new ATOM 0 HG21 VAL A 38 36.750 10.363 4.964 1.00 1.00 H new ATOM 0 HG22 VAL A 38 35.219 10.871 5.717 1.00 1.00 H new ATOM 0 HG23 VAL A 38 36.178 12.037 4.774 1.00 1.00 H new ATOM 562 N PHE A 39 37.976 14.012 8.547 1.00 1.00 N ATOM 563 CA PHE A 39 38.752 14.458 9.698 1.00 1.00 C ATOM 564 C PHE A 39 37.916 15.373 10.586 1.00 1.00 C ATOM 565 O PHE A 39 38.162 15.483 11.788 1.00 1.00 O ATOM 566 CB PHE A 39 40.004 15.204 9.227 1.00 1.00 C ATOM 567 CG PHE A 39 40.727 15.781 10.421 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.261 14.926 11.394 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.864 17.167 10.556 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.932 15.459 12.501 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.535 17.700 11.664 1.00 1.00 C ATOM 572 CZ PHE A 39 42.069 16.845 12.637 1.00 1.00 C ATOM 0 H PHE A 39 38.254 14.429 7.659 1.00 1.00 H new ATOM 0 HA PHE A 39 39.047 13.582 10.275 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.662 14.525 8.684 1.00 1.00 H new ATOM 0 HB3 PHE A 39 39.727 16.001 8.536 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.155 13.856 11.290 1.00 1.00 H new ATOM 0 HD2 PHE A 39 40.452 17.826 9.806 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.344 14.800 13.251 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.641 18.770 11.768 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.586 17.255 13.492 1.00 1.00 H new ATOM 582 N LEU A 40 36.926 16.027 9.986 1.00 1.00 N ATOM 583 CA LEU A 40 36.056 16.930 10.731 1.00 1.00 C ATOM 584 C LEU A 40 34.706 16.272 11.003 1.00 1.00 C ATOM 585 O LEU A 40 33.826 16.871 11.620 1.00 1.00 O ATOM 586 CB LEU A 40 35.844 18.223 9.941 1.00 1.00 C ATOM 587 CG LEU A 40 37.200 18.802 9.532 1.00 1.00 C ATOM 588 CD1 LEU A 40 36.986 20.086 8.729 1.00 1.00 C ATOM 589 CD2 LEU A 40 38.020 19.118 10.785 1.00 1.00 C ATOM 0 H LEU A 40 36.707 15.949 8.993 1.00 1.00 H new ATOM 0 HA LEU A 40 36.534 17.160 11.683 1.00 1.00 H new ATOM 0 HB2 LEU A 40 35.240 18.025 9.056 1.00 1.00 H new ATOM 0 HB3 LEU A 40 35.296 18.945 10.546 1.00 1.00 H new ATOM 0 HG LEU A 40 37.734 18.075 8.921 1.00 1.00 H new ATOM 0 HD11 LEU A 40 37.952 20.498 8.438 1.00 1.00 H new ATOM 0 HD12 LEU A 40 36.402 19.863 7.836 1.00 1.00 H new ATOM 0 HD13 LEU A 40 36.451 20.813 9.340 1.00 1.00 H new ATOM 0 HD21 LEU A 40 38.986 19.530 10.493 1.00 1.00 H new ATOM 0 HD22 LEU A 40 37.485 19.845 11.396 1.00 1.00 H new ATOM 0 HD23 LEU A 40 38.174 18.204 11.359 1.00 1.00 H new ATOM 601 N LEU A 41 34.552 15.038 10.537 1.00 1.00 N ATOM 602 CA LEU A 41 33.306 14.306 10.735 1.00 1.00 C ATOM 603 C LEU A 41 33.590 12.856 11.115 1.00 1.00 C ATOM 604 O LEU A 41 32.679 12.030 11.174 1.00 1.00 O ATOM 605 CB LEU A 41 32.469 14.345 9.454 1.00 1.00 C ATOM 606 CG LEU A 41 31.193 15.151 9.702 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.442 15.337 8.382 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.300 14.399 10.693 1.00 1.00 C ATOM 0 H LEU A 41 35.269 14.526 10.023 1.00 1.00 H new ATOM 0 HA LEU A 41 32.753 14.780 11.546 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.044 14.795 8.645 1.00 1.00 H new ATOM 0 HB3 LEU A 41 32.217 13.332 9.141 1.00 1.00 H new ATOM 0 HG LEU A 41 31.454 16.126 10.113 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.533 15.911 8.559 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.077 15.871 7.674 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.181 14.362 7.971 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.390 14.972 10.871 1.00 1.00 H new ATOM 0 HD22 LEU A 41 30.040 13.424 10.281 1.00 1.00 H new ATOM 0 HD23 LEU A 41 30.834 14.264 11.634 1.00 1.00 H new ATOM 620 N GLY A 42 34.858 12.555 11.373 1.00 1.00 N ATOM 621 CA GLY A 42 35.251 11.202 11.748 1.00 1.00 C ATOM 622 C GLY A 42 35.135 10.998 13.254 1.00 1.00 C ATOM 623 O GLY A 42 34.558 10.013 13.715 1.00 1.00 O ATOM 0 H GLY A 42 35.626 13.224 11.330 1.00 1.00 H new ATOM 0 HA2 GLY A 42 34.621 10.479 11.230 1.00 1.00 H new ATOM 0 HA3 GLY A 42 36.277 11.016 11.430 1.00 1.00 H new ATOM 627 N THR A 43 35.687 11.936 14.017 1.00 1.00 N ATOM 628 CA THR A 43 35.640 11.850 15.472 1.00 1.00 C ATOM 629 C THR A 43 35.400 13.227 16.083 1.00 1.00 C ATOM 630 O THR A 43 34.751 13.351 17.122 1.00 1.00 O ATOM 631 CB THR A 43 36.953 11.274 16.004 1.00 1.00 C ATOM 632 OG1 THR A 43 36.754 10.781 17.322 1.00 1.00 O ATOM 633 CG2 THR A 43 38.023 12.367 16.023 1.00 1.00 C ATOM 0 H THR A 43 36.169 12.759 13.655 1.00 1.00 H new ATOM 0 HA THR A 43 34.816 11.193 15.752 1.00 1.00 H new ATOM 0 HB THR A 43 37.280 10.460 15.357 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.595 10.410 17.663 1.00 1.00 H new ATOM 0 HG21 THR A 43 38.958 11.954 16.402 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.177 12.743 15.012 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.698 13.183 16.668 1.00 1.00 H new ATOM 641 N THR A 44 35.929 14.257 15.431 1.00 1.00 N ATOM 642 CA THR A 44 35.766 15.622 15.920 1.00 1.00 C ATOM 643 C THR A 44 34.294 16.020 15.916 1.00 1.00 C ATOM 644 O THR A 44 33.913 17.033 16.503 1.00 1.00 O ATOM 645 CB THR A 44 36.562 16.590 15.041 1.00 1.00 C ATOM 646 OG1 THR A 44 37.947 16.450 15.319 1.00 1.00 O ATOM 647 CG2 THR A 44 36.122 18.025 15.333 1.00 1.00 C ATOM 0 H THR A 44 36.470 14.175 14.570 1.00 1.00 H new ATOM 0 HA THR A 44 36.140 15.669 16.943 1.00 1.00 H new ATOM 0 HB THR A 44 36.378 16.363 13.991 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.458 17.068 14.756 1.00 1.00 H new ATOM 0 HG21 THR A 44 36.689 18.714 14.707 1.00 1.00 H new ATOM 0 HG22 THR A 44 35.059 18.130 15.118 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.304 18.255 16.383 1.00 1.00 H new ATOM 655 N GLY A 45 33.470 15.217 15.251 1.00 1.00 N ATOM 656 CA GLY A 45 32.041 15.496 15.176 1.00 1.00 C ATOM 657 C GLY A 45 31.510 15.977 16.522 1.00 1.00 C ATOM 658 O GLY A 45 30.691 16.893 16.585 1.00 1.00 O ATOM 0 H GLY A 45 33.765 14.373 14.759 1.00 1.00 H new ATOM 0 HA2 GLY A 45 31.854 16.253 14.415 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.506 14.597 14.870 1.00 1.00 H new ATOM 662 N ASN A 46 31.982 15.351 17.596 1.00 1.00 N ATOM 663 CA ASN A 46 31.549 15.723 18.938 1.00 1.00 C ATOM 664 C ASN A 46 32.618 16.557 19.635 1.00 1.00 C ATOM 665 O ASN A 46 32.923 16.340 20.808 1.00 1.00 O ATOM 666 CB ASN A 46 31.265 14.465 19.760 1.00 1.00 C ATOM 667 CG ASN A 46 30.438 14.821 20.990 1.00 1.00 C ATOM 668 OD1 ASN A 46 30.543 16.014 21.513 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 29.678 13.993 21.491 1.00 1.00 N flip ATOM 0 H ASN A 46 32.660 14.589 17.564 1.00 1.00 H new ATOM 0 HA ASN A 46 30.639 16.317 18.855 1.00 1.00 H new ATOM 0 HB2 ASN A 46 30.731 13.736 19.151 1.00 1.00 H new ATOM 0 HB3 ASN A 46 32.203 14.000 20.064 1.00 1.00 H new ATOM 0 HD21 ASN A 46 29.597 13.062 21.082 1.00 1.00 H new ATOM 0 HD22 ASN A 46 29.129 14.238 22.315 1.00 1.00 H new ATOM 676 N GLY A 47 33.185 17.513 18.906 1.00 1.00 N ATOM 677 CA GLY A 47 34.221 18.374 19.465 1.00 1.00 C ATOM 678 C GLY A 47 34.030 19.818 19.013 1.00 1.00 C ATOM 679 O GLY A 47 34.974 20.609 19.021 1.00 1.00 O ATOM 0 H GLY A 47 32.947 17.710 17.934 1.00 1.00 H new ATOM 0 HA2 GLY A 47 34.194 18.323 20.553 1.00 1.00 H new ATOM 0 HA3 GLY A 47 35.203 18.018 19.153 1.00 1.00 H new ATOM 683 N LEU A 48 32.805 20.153 18.618 1.00 1.00 N ATOM 684 CA LEU A 48 32.498 21.505 18.164 1.00 1.00 C ATOM 685 C LEU A 48 31.680 22.251 19.213 1.00 1.00 C ATOM 686 O LEU A 48 31.463 23.458 19.104 1.00 1.00 O ATOM 687 CB LEU A 48 31.715 21.449 16.851 1.00 1.00 C ATOM 688 CG LEU A 48 32.692 21.340 15.679 1.00 1.00 C ATOM 689 CD1 LEU A 48 32.006 20.638 14.506 1.00 1.00 C ATOM 690 CD2 LEU A 48 33.127 22.742 15.248 1.00 1.00 C ATOM 0 H LEU A 48 32.013 19.511 18.603 1.00 1.00 H new ATOM 0 HA LEU A 48 33.437 22.036 18.006 1.00 1.00 H new ATOM 0 HB2 LEU A 48 31.038 20.595 16.855 1.00 1.00 H new ATOM 0 HB3 LEU A 48 31.100 22.342 16.744 1.00 1.00 H new ATOM 0 HG LEU A 48 33.565 20.765 15.986 1.00 1.00 H new ATOM 0 HD11 LEU A 48 32.702 20.560 13.671 1.00 1.00 H new ATOM 0 HD12 LEU A 48 31.693 19.640 14.812 1.00 1.00 H new ATOM 0 HD13 LEU A 48 31.133 21.213 14.198 1.00 1.00 H new ATOM 0 HD21 LEU A 48 33.823 22.666 14.413 1.00 1.00 H new ATOM 0 HD22 LEU A 48 32.253 23.316 14.941 1.00 1.00 H new ATOM 0 HD23 LEU A 48 33.615 23.244 16.083 1.00 1.00 H new ATOM 702 N VAL A 49 31.227 21.524 20.230 1.00 1.00 N ATOM 703 CA VAL A 49 30.433 22.127 21.294 1.00 1.00 C ATOM 704 C VAL A 49 31.330 22.591 22.437 1.00 1.00 C ATOM 705 O VAL A 49 30.846 22.982 23.499 1.00 1.00 O ATOM 706 CB VAL A 49 29.412 21.118 21.822 1.00 1.00 C ATOM 707 CG1 VAL A 49 28.359 20.846 20.746 1.00 1.00 C ATOM 708 CG2 VAL A 49 30.125 19.811 22.178 1.00 1.00 C ATOM 0 H VAL A 49 31.395 20.524 20.339 1.00 1.00 H new ATOM 0 HA VAL A 49 29.910 22.991 20.884 1.00 1.00 H new ATOM 0 HB VAL A 49 28.927 21.523 22.710 1.00 1.00 H new ATOM 0 HG11 VAL A 49 27.631 20.127 21.122 1.00 1.00 H new ATOM 0 HG12 VAL A 49 27.851 21.776 20.491 1.00 1.00 H new ATOM 0 HG13 VAL A 49 28.843 20.441 19.857 1.00 1.00 H new ATOM 0 HG21 VAL A 49 29.398 19.091 22.554 1.00 1.00 H new ATOM 0 HG22 VAL A 49 30.609 19.407 21.289 1.00 1.00 H new ATOM 0 HG23 VAL A 49 30.876 20.003 22.944 1.00 1.00 H new ATOM 718 N LEU A 50 32.639 22.545 22.211 1.00 1.00 N ATOM 719 CA LEU A 50 33.595 22.964 23.230 1.00 1.00 C ATOM 720 C LEU A 50 34.748 23.737 22.598 1.00 1.00 C ATOM 721 O LEU A 50 35.740 24.041 23.260 1.00 1.00 O ATOM 722 CB LEU A 50 34.142 21.742 23.977 1.00 1.00 C ATOM 723 CG LEU A 50 34.285 20.561 23.013 1.00 1.00 C ATOM 724 CD1 LEU A 50 35.197 20.952 21.848 1.00 1.00 C ATOM 725 CD2 LEU A 50 34.898 19.372 23.758 1.00 1.00 C ATOM 0 H LEU A 50 33.060 22.225 21.339 1.00 1.00 H new ATOM 0 HA LEU A 50 33.079 23.615 23.936 1.00 1.00 H new ATOM 0 HB2 LEU A 50 35.109 21.979 24.421 1.00 1.00 H new ATOM 0 HB3 LEU A 50 33.473 21.476 24.795 1.00 1.00 H new ATOM 0 HG LEU A 50 33.303 20.289 22.627 1.00 1.00 H new ATOM 0 HD11 LEU A 50 35.296 20.109 21.165 1.00 1.00 H new ATOM 0 HD12 LEU A 50 34.766 21.801 21.317 1.00 1.00 H new ATOM 0 HD13 LEU A 50 36.180 21.226 22.231 1.00 1.00 H new ATOM 0 HD21 LEU A 50 35.001 18.529 23.075 1.00 1.00 H new ATOM 0 HD22 LEU A 50 35.879 19.650 24.142 1.00 1.00 H new ATOM 0 HD23 LEU A 50 34.250 19.089 24.588 1.00 1.00 H new ATOM 737 N TRP A 51 34.610 24.051 21.315 1.00 1.00 N ATOM 738 CA TRP A 51 35.646 24.790 20.602 1.00 1.00 C ATOM 739 C TRP A 51 35.315 26.278 20.567 1.00 1.00 C ATOM 740 O TRP A 51 35.758 27.044 21.424 1.00 1.00 O ATOM 741 CB TRP A 51 35.777 24.259 19.174 1.00 1.00 C ATOM 742 CG TRP A 51 36.587 25.216 18.359 1.00 1.00 C ATOM 743 CD1 TRP A 51 37.868 25.566 18.617 1.00 1.00 C ATOM 744 CD2 TRP A 51 36.195 25.951 17.162 1.00 1.00 C ATOM 745 NE1 TRP A 51 38.287 26.467 17.655 1.00 1.00 N ATOM 746 CE2 TRP A 51 37.293 26.736 16.737 1.00 1.00 C ATOM 747 CE3 TRP A 51 35.007 26.010 16.413 1.00 1.00 C ATOM 748 CZ2 TRP A 51 37.213 27.552 15.608 1.00 1.00 C ATOM 749 CZ3 TRP A 51 34.924 26.831 15.275 1.00 1.00 C ATOM 750 CH2 TRP A 51 36.025 27.600 14.874 1.00 1.00 C ATOM 0 H TRP A 51 33.797 23.807 20.750 1.00 1.00 H new ATOM 0 HA TRP A 51 36.591 24.653 21.128 1.00 1.00 H new ATOM 0 HB2 TRP A 51 36.252 23.278 19.181 1.00 1.00 H new ATOM 0 HB3 TRP A 51 34.790 24.131 18.730 1.00 1.00 H new ATOM 0 HD1 TRP A 51 38.466 25.202 19.439 1.00 1.00 H new ATOM 0 HE1 TRP A 51 39.218 26.882 17.628 1.00 1.00 H new ATOM 0 HE3 TRP A 51 34.153 25.421 16.714 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 38.064 28.143 15.303 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 34.007 26.869 14.706 1.00 1.00 H new ATOM 0 HH2 TRP A 51 35.955 28.229 13.999 1.00 1.00 H new ATOM 761 N THR A 52 34.535 26.682 19.570 1.00 1.00 N ATOM 762 CA THR A 52 34.152 28.082 19.432 1.00 1.00 C ATOM 763 C THR A 52 33.534 28.599 20.728 1.00 1.00 C ATOM 764 O THR A 52 33.753 29.747 21.117 1.00 1.00 O ATOM 765 CB THR A 52 33.147 28.239 18.289 1.00 1.00 C ATOM 766 OG1 THR A 52 32.649 29.570 18.277 1.00 1.00 O ATOM 767 CG2 THR A 52 31.989 27.260 18.485 1.00 1.00 C ATOM 0 H THR A 52 34.158 26.065 18.851 1.00 1.00 H new ATOM 0 HA THR A 52 35.047 28.663 19.211 1.00 1.00 H new ATOM 0 HB THR A 52 33.640 28.027 17.340 1.00 1.00 H new ATOM 0 HG1 THR A 52 32.006 29.672 17.544 1.00 1.00 H new ATOM 0 HG21 THR A 52 31.274 27.374 17.670 1.00 1.00 H new ATOM 0 HG22 THR A 52 32.372 26.240 18.492 1.00 1.00 H new ATOM 0 HG23 THR A 52 31.493 27.468 19.433 1.00 1.00 H new ATOM 775 N VAL A 53 32.764 27.743 21.392 1.00 1.00 N ATOM 776 CA VAL A 53 32.120 28.125 22.644 1.00 1.00 C ATOM 777 C VAL A 53 33.153 28.630 23.646 1.00 1.00 C ATOM 778 O VAL A 53 32.863 29.503 24.465 1.00 1.00 O ATOM 779 CB VAL A 53 31.377 26.926 23.235 1.00 1.00 C ATOM 780 CG1 VAL A 53 30.809 27.301 24.605 1.00 1.00 C ATOM 781 CG2 VAL A 53 30.232 26.526 22.302 1.00 1.00 C ATOM 0 H VAL A 53 32.572 26.789 21.088 1.00 1.00 H new ATOM 0 HA VAL A 53 31.411 28.926 22.436 1.00 1.00 H new ATOM 0 HB VAL A 53 32.067 26.090 23.345 1.00 1.00 H new ATOM 0 HG11 VAL A 53 30.280 26.446 25.026 1.00 1.00 H new ATOM 0 HG12 VAL A 53 31.623 27.587 25.271 1.00 1.00 H new ATOM 0 HG13 VAL A 53 30.119 28.138 24.496 1.00 1.00 H new ATOM 0 HG21 VAL A 53 29.702 25.671 22.722 1.00 1.00 H new ATOM 0 HG22 VAL A 53 29.542 27.363 22.193 1.00 1.00 H new ATOM 0 HG23 VAL A 53 30.635 26.258 21.325 1.00 1.00 H new ATOM 791 N PHE A 54 34.359 28.075 23.576 1.00 1.00 N ATOM 792 CA PHE A 54 35.428 28.478 24.482 1.00 1.00 C ATOM 793 C PHE A 54 35.852 29.917 24.206 1.00 1.00 C ATOM 794 O PHE A 54 35.995 30.721 25.127 1.00 1.00 O ATOM 795 CB PHE A 54 36.631 27.549 24.317 1.00 1.00 C ATOM 796 CG PHE A 54 37.440 27.539 25.593 1.00 1.00 C ATOM 797 CD1 PHE A 54 38.438 28.499 25.796 1.00 1.00 C ATOM 798 CD2 PHE A 54 37.191 26.570 26.571 1.00 1.00 C ATOM 799 CE1 PHE A 54 39.188 28.490 26.978 1.00 1.00 C ATOM 800 CE2 PHE A 54 37.940 26.561 27.754 1.00 1.00 C ATOM 801 CZ PHE A 54 38.939 27.521 27.958 1.00 1.00 C ATOM 0 H PHE A 54 34.619 27.351 22.907 1.00 1.00 H new ATOM 0 HA PHE A 54 35.056 28.411 25.504 1.00 1.00 H new ATOM 0 HB2 PHE A 54 36.294 26.540 24.080 1.00 1.00 H new ATOM 0 HB3 PHE A 54 37.250 27.883 23.484 1.00 1.00 H new ATOM 0 HD1 PHE A 54 38.630 29.247 25.041 1.00 1.00 H new ATOM 0 HD2 PHE A 54 36.421 25.829 26.414 1.00 1.00 H new ATOM 0 HE1 PHE A 54 39.959 29.230 27.134 1.00 1.00 H new ATOM 0 HE2 PHE A 54 37.747 25.814 28.509 1.00 1.00 H new ATOM 0 HZ PHE A 54 39.517 27.514 28.870 1.00 1.00 H new ATOM 811 N ARG A 55 36.051 30.235 22.930 1.00 1.00 N ATOM 812 CA ARG A 55 36.458 31.581 22.544 1.00 1.00 C ATOM 813 C ARG A 55 35.242 32.422 22.171 1.00 1.00 C ATOM 814 O ARG A 55 35.356 33.403 21.435 1.00 1.00 O ATOM 815 CB ARG A 55 37.419 31.514 21.356 1.00 1.00 C ATOM 816 CG ARG A 55 38.437 30.395 21.583 1.00 1.00 C ATOM 817 CD ARG A 55 38.048 29.174 20.748 1.00 1.00 C ATOM 818 NE ARG A 55 38.335 29.413 19.338 1.00 1.00 N ATOM 819 CZ ARG A 55 39.551 29.217 18.841 1.00 1.00 C ATOM 820 NH1 ARG A 55 40.514 28.803 19.619 1.00 1.00 N ATOM 821 NH2 ARG A 55 39.784 29.439 17.577 1.00 1.00 N ATOM 0 H ARG A 55 35.938 29.585 22.152 1.00 1.00 H new ATOM 0 HA ARG A 55 36.960 32.046 23.392 1.00 1.00 H new ATOM 0 HB2 ARG A 55 36.864 31.333 20.436 1.00 1.00 H new ATOM 0 HB3 ARG A 55 37.933 32.468 21.236 1.00 1.00 H new ATOM 0 HG2 ARG A 55 39.435 30.735 21.306 1.00 1.00 H new ATOM 0 HG3 ARG A 55 38.472 30.130 22.640 1.00 1.00 H new ATOM 0 HD2 ARG A 55 38.597 28.298 21.094 1.00 1.00 H new ATOM 0 HD3 ARG A 55 36.988 28.958 20.879 1.00 1.00 H new ATOM 0 HE ARG A 55 37.589 29.736 18.723 1.00 1.00 H new ATOM 0 HH11 ARG A 55 40.332 28.630 20.608 1.00 1.00 H new ATOM 0 HH12 ARG A 55 41.448 28.652 19.238 1.00 1.00 H new ATOM 0 HH21 ARG A 55 39.032 29.764 16.969 1.00 1.00 H new ATOM 0 HH22 ARG A 55 40.718 29.288 17.196 1.00 1.00 H new ATOM 835 N LYS A 56 34.080 32.034 22.685 1.00 1.00 N ATOM 836 CA LYS A 56 32.850 32.757 22.402 1.00 1.00 C ATOM 837 C LYS A 56 32.630 33.857 23.436 1.00 1.00 C ATOM 838 O LYS A 56 32.336 35.000 23.086 1.00 1.00 O ATOM 839 CB LYS A 56 31.668 31.784 22.416 1.00 1.00 C ATOM 840 CG LYS A 56 30.357 32.559 22.274 1.00 1.00 C ATOM 841 CD LYS A 56 29.671 32.670 23.638 1.00 1.00 C ATOM 842 CE LYS A 56 28.985 31.345 23.975 1.00 1.00 C ATOM 843 NZ LYS A 56 27.529 31.449 23.676 1.00 1.00 N ATOM 0 H LYS A 56 33.966 31.226 23.297 1.00 1.00 H new ATOM 0 HA LYS A 56 32.929 33.217 21.417 1.00 1.00 H new ATOM 0 HB2 LYS A 56 31.767 31.066 21.602 1.00 1.00 H new ATOM 0 HB3 LYS A 56 31.665 31.214 23.345 1.00 1.00 H new ATOM 0 HG2 LYS A 56 30.553 33.553 21.873 1.00 1.00 H new ATOM 0 HG3 LYS A 56 29.700 32.054 21.566 1.00 1.00 H new ATOM 0 HD2 LYS A 56 30.404 32.918 24.406 1.00 1.00 H new ATOM 0 HD3 LYS A 56 28.939 33.477 23.624 1.00 1.00 H new ATOM 0 HE2 LYS A 56 29.429 30.536 23.396 1.00 1.00 H new ATOM 0 HE3 LYS A 56 29.135 31.103 25.027 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 27.062 30.548 23.905 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 27.111 32.211 24.247 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 27.396 31.661 22.666 1.00 1.00 H new ATOM 857 N LYS A 57 32.772 33.504 24.709 1.00 1.00 N ATOM 858 CA LYS A 57 32.587 34.469 25.785 1.00 1.00 C ATOM 859 C LYS A 57 33.477 35.689 25.571 1.00 1.00 C ATOM 860 O LYS A 57 33.184 36.778 26.064 1.00 1.00 O ATOM 861 CB LYS A 57 32.920 33.823 27.131 1.00 1.00 C ATOM 862 CG LYS A 57 34.372 33.340 27.121 1.00 1.00 C ATOM 863 CD LYS A 57 35.185 34.146 28.137 1.00 1.00 C ATOM 864 CE LYS A 57 34.711 33.810 29.552 1.00 1.00 C ATOM 865 NZ LYS A 57 35.803 33.114 30.289 1.00 1.00 N ATOM 0 H LYS A 57 33.013 32.563 25.019 1.00 1.00 H new ATOM 0 HA LYS A 57 31.545 34.789 25.784 1.00 1.00 H new ATOM 0 HB2 LYS A 57 32.770 34.541 27.938 1.00 1.00 H new ATOM 0 HB3 LYS A 57 32.248 32.986 27.320 1.00 1.00 H new ATOM 0 HG2 LYS A 57 34.415 32.278 27.365 1.00 1.00 H new ATOM 0 HG3 LYS A 57 34.798 33.456 26.124 1.00 1.00 H new ATOM 0 HD2 LYS A 57 36.246 33.917 28.033 1.00 1.00 H new ATOM 0 HD3 LYS A 57 35.069 35.213 27.947 1.00 1.00 H new ATOM 0 HE2 LYS A 57 34.426 34.721 30.078 1.00 1.00 H new ATOM 0 HE3 LYS A 57 33.825 33.176 29.510 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 35.459 32.825 31.227 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 36.101 32.273 29.755 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 36.612 33.758 30.400 1.00 1.00 H new ATOM 879 N GLY A 58 34.565 35.498 24.832 1.00 1.00 N ATOM 880 CA GLY A 58 35.492 36.591 24.558 1.00 1.00 C ATOM 881 C GLY A 58 36.936 36.106 24.606 1.00 1.00 C ATOM 882 O GLY A 58 37.623 36.067 23.585 1.00 1.00 O ATOM 0 H GLY A 58 34.826 34.604 24.415 1.00 1.00 H new ATOM 0 HA2 GLY A 58 35.280 37.016 23.577 1.00 1.00 H new ATOM 0 HA3 GLY A 58 35.347 37.387 25.288 1.00 1.00 H new ATOM 886 N HIS A 59 37.392 35.736 25.799 1.00 1.00 N ATOM 887 CA HIS A 59 38.758 35.253 25.967 1.00 1.00 C ATOM 888 C HIS A 59 39.063 35.014 27.442 1.00 1.00 C ATOM 889 O HIS A 59 39.321 35.955 28.193 1.00 1.00 O ATOM 890 CB HIS A 59 39.746 36.273 25.399 1.00 1.00 C ATOM 891 CG HIS A 59 39.197 37.661 25.586 1.00 1.00 C ATOM 892 ND1 HIS A 59 38.299 38.178 26.487 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 39.574 38.721 24.777 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 38.121 39.537 26.243 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 38.912 39.812 25.202 1.00 1.00 N flip ATOM 0 H HIS A 59 36.841 35.761 26.657 1.00 1.00 H new ATOM 0 HA HIS A 59 38.859 34.311 25.429 1.00 1.00 H new ATOM 0 HB2 HIS A 59 40.709 36.181 25.901 1.00 1.00 H new ATOM 0 HB3 HIS A 59 39.918 36.078 24.340 1.00 1.00 H new ATOM 0 HD2 HIS A 59 40.273 38.679 23.954 1.00 1.00 H new ATOM 0 HE1 HIS A 59 37.481 40.222 26.780 1.00 1.00 H new ATOM 0 HE2 HIS A 59 39.003 40.737 24.781 1.00 1.00 H new ATOM 903 N HIS A 60 39.033 33.751 27.851 1.00 1.00 N ATOM 904 CA HIS A 60 39.308 33.400 29.240 1.00 1.00 C ATOM 905 C HIS A 60 38.622 34.378 30.186 1.00 1.00 C ATOM 906 O HIS A 60 37.748 35.143 29.777 1.00 1.00 O ATOM 907 CB HIS A 60 40.817 33.415 29.493 1.00 1.00 C ATOM 908 CG HIS A 60 41.480 32.368 28.641 1.00 1.00 C ATOM 909 ND1 HIS A 60 41.575 31.044 29.040 1.00 1.00 N ATOM 910 CD2 HIS A 60 42.087 32.434 27.412 1.00 1.00 C ATOM 911 CE1 HIS A 60 42.215 30.372 28.066 1.00 1.00 C ATOM 912 NE2 HIS A 60 42.550 31.172 27.050 1.00 1.00 N ATOM 0 H HIS A 60 38.823 32.957 27.246 1.00 1.00 H new ATOM 0 HA HIS A 60 38.918 32.399 29.426 1.00 1.00 H new ATOM 0 HB2 HIS A 60 41.225 34.399 29.262 1.00 1.00 H new ATOM 0 HB3 HIS A 60 41.022 33.224 30.547 1.00 1.00 H new ATOM 0 HD2 HIS A 60 42.190 33.329 26.816 1.00 1.00 H new ATOM 0 HE1 HIS A 60 42.432 29.315 28.101 1.00 1.00 H new ATOM 0 HE2 HIS A 60 43.040 30.914 26.193 1.00 1.00 H new ATOM 920 N HIS A 61 39.021 34.349 31.453 1.00 1.00 N ATOM 921 CA HIS A 61 38.437 35.238 32.449 1.00 1.00 C ATOM 922 C HIS A 61 39.275 35.241 33.723 1.00 1.00 C ATOM 923 O HIS A 61 40.111 36.123 33.926 1.00 1.00 O ATOM 924 CB HIS A 61 37.011 34.790 32.776 1.00 1.00 C ATOM 925 CG HIS A 61 36.526 35.516 34.002 1.00 1.00 C ATOM 926 ND1 HIS A 61 36.168 34.848 35.163 1.00 1.00 N ATOM 927 CD2 HIS A 61 36.335 36.850 34.262 1.00 1.00 C ATOM 928 CE1 HIS A 61 35.783 35.774 36.061 1.00 1.00 C ATOM 929 NE2 HIS A 61 35.865 37.010 35.562 1.00 1.00 N ATOM 0 H HIS A 61 39.742 33.723 31.812 1.00 1.00 H new ATOM 0 HA HIS A 61 38.416 36.248 32.039 1.00 1.00 H new ATOM 0 HB2 HIS A 61 36.351 34.996 31.933 1.00 1.00 H new ATOM 0 HB3 HIS A 61 36.986 33.713 32.944 1.00 1.00 H new ATOM 0 HD2 HIS A 61 36.521 37.653 33.564 1.00 1.00 H new ATOM 0 HE1 HIS A 61 35.449 35.545 37.062 1.00 1.00 H new ATOM 0 HE2 HIS A 61 35.633 37.884 36.033 1.00 1.00 H new ATOM 937 N HIS A 62 39.048 34.250 34.578 1.00 1.00 N ATOM 938 CA HIS A 62 39.789 34.149 35.830 1.00 1.00 C ATOM 939 C HIS A 62 41.288 34.287 35.578 1.00 1.00 C ATOM 940 O HIS A 62 41.746 34.192 34.440 1.00 1.00 O ATOM 941 CB HIS A 62 39.505 32.802 36.500 1.00 1.00 C ATOM 942 CG HIS A 62 39.487 31.719 35.456 1.00 1.00 C ATOM 943 ND1 HIS A 62 38.308 31.153 34.998 1.00 1.00 N ATOM 944 CD2 HIS A 62 40.496 31.086 34.774 1.00 1.00 C ATOM 945 CE1 HIS A 62 38.633 30.225 34.080 1.00 1.00 C ATOM 946 NE2 HIS A 62 39.954 30.143 33.906 1.00 1.00 N ATOM 0 H HIS A 62 38.362 33.510 34.429 1.00 1.00 H new ATOM 0 HA HIS A 62 39.466 34.956 36.487 1.00 1.00 H new ATOM 0 HB2 HIS A 62 40.267 32.588 37.249 1.00 1.00 H new ATOM 0 HB3 HIS A 62 38.548 32.837 37.020 1.00 1.00 H new ATOM 0 HD2 HIS A 62 41.550 31.289 34.893 1.00 1.00 H new ATOM 0 HE1 HIS A 62 37.913 29.620 33.549 1.00 1.00 H new ATOM 0 HE2 HIS A 62 40.458 29.522 33.273 1.00 1.00 H new ATOM 954 N HIS A 63 42.045 34.510 36.647 1.00 1.00 N ATOM 955 CA HIS A 63 43.491 34.659 36.530 1.00 1.00 C ATOM 956 C HIS A 63 44.155 34.535 37.897 1.00 1.00 C ATOM 957 O HIS A 63 45.000 35.351 38.264 1.00 1.00 O ATOM 958 CB HIS A 63 43.828 36.021 35.919 1.00 1.00 C ATOM 959 CG HIS A 63 45.270 36.036 35.493 1.00 1.00 C ATOM 960 ND1 HIS A 63 46.186 36.934 36.017 1.00 1.00 N ATOM 961 CD2 HIS A 63 45.970 35.268 34.595 1.00 1.00 C ATOM 962 CE1 HIS A 63 47.374 36.689 35.437 1.00 1.00 C ATOM 963 NE2 HIS A 63 47.298 35.683 34.560 1.00 1.00 N ATOM 0 H HIS A 63 41.685 34.591 37.598 1.00 1.00 H new ATOM 0 HA HIS A 63 43.867 33.867 35.883 1.00 1.00 H new ATOM 0 HB2 HIS A 63 43.183 36.217 35.063 1.00 1.00 H new ATOM 0 HB3 HIS A 63 43.644 36.813 36.645 1.00 1.00 H new ATOM 0 HD2 HIS A 63 45.553 34.464 34.006 1.00 1.00 H new ATOM 0 HE1 HIS A 63 48.279 37.238 35.653 1.00 1.00 H new ATOM 0 HE2 HIS A 63 48.051 35.301 33.988 1.00 1.00 H new ATOM 971 N HIS A 64 43.766 33.508 38.647 1.00 1.00 N ATOM 972 CA HIS A 64 44.332 33.288 39.974 1.00 1.00 C ATOM 973 C HIS A 64 45.833 33.036 39.881 1.00 1.00 C ATOM 974 O HIS A 64 46.585 33.979 40.067 1.00 1.00 O ATOM 975 CB HIS A 64 43.651 32.090 40.639 1.00 1.00 C ATOM 976 CG HIS A 64 42.339 32.524 41.232 1.00 1.00 C ATOM 977 ND1 HIS A 64 41.404 33.248 40.509 1.00 1.00 N ATOM 978 CD2 HIS A 64 41.791 32.344 42.479 1.00 1.00 C ATOM 979 CE1 HIS A 64 40.353 33.475 41.317 1.00 1.00 C ATOM 980 NE2 HIS A 64 40.538 32.946 42.530 1.00 1.00 N ATOM 981 OXT HIS A 64 46.209 31.903 39.626 1.00 1.00 O ATOM 0 H HIS A 64 43.068 32.821 38.362 1.00 1.00 H new ATOM 0 HA HIS A 64 44.162 34.182 40.574 1.00 1.00 H new ATOM 0 HB2 HIS A 64 43.487 31.299 39.907 1.00 1.00 H new ATOM 0 HB3 HIS A 64 44.295 31.677 41.416 1.00 1.00 H new ATOM 0 HD2 HIS A 64 42.261 31.816 43.295 1.00 1.00 H new ATOM 0 HE1 HIS A 64 39.468 34.018 41.021 1.00 1.00 H new ATOM 0 HE2 HIS A 64 39.898 32.977 43.323 1.00 1.00 H new TER 989 HIS A 64