USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 443 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 9 HIS : no HE2:sc= -8.64! C(o=-13!,f=-18!) USER MOD Set 1.2: A 40 LYS NZ :NH3+ -171:sc= -4.46! (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -158:sc= -0.0339 (180deg=-0.665) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 5 GLN : amide:sc= -1.48! C(o=-1.5!,f=-3.6!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.222 K(o=-0.22,f=-3!) USER MOD Single : A 15 MET CE :methyl 170:sc=-0.000167 (180deg=-0.139) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.427! F(o=-0.93,f=-0.43!) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= -0.0322 (180deg=-0.539) USER MOD Single : A 24 GLN : amide:sc= 0.26 X(o=0.26,f=-0.13) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.22 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -4.18! C(o=-4.2!,f=-5.2!) USER MOD Single : A 43 THR OG1 : rot 107:sc= 0.791 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 149:sc= -4.25! (180deg=-6.15!) USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= -0.126 (180deg=-1.19) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -3.2! C(o=-3.2!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -21.771 9.868 20.594 1.00 0.00 N ATOM 2 CA LYS A 1 -21.537 8.918 19.468 1.00 0.00 C ATOM 3 C LYS A 1 -20.650 9.568 18.403 1.00 0.00 C ATOM 4 O LYS A 1 -19.473 9.284 18.302 1.00 0.00 O ATOM 5 CB LYS A 1 -22.925 8.626 18.901 1.00 0.00 C ATOM 6 CG LYS A 1 -23.741 7.837 19.927 1.00 0.00 C ATOM 7 CD LYS A 1 -25.076 7.424 19.305 1.00 0.00 C ATOM 8 CE LYS A 1 -25.878 6.601 20.315 1.00 0.00 C ATOM 9 NZ LYS A 1 -27.182 6.340 19.644 1.00 0.00 N ATOM 0 H1 LYS A 1 -22.035 9.336 21.448 1.00 0.00 H new ATOM 0 H2 LYS A 1 -20.902 10.409 20.778 1.00 0.00 H new ATOM 0 H3 LYS A 1 -22.539 10.522 20.342 1.00 0.00 H new ATOM 0 HA LYS A 1 -21.030 8.010 19.794 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -23.433 9.559 18.657 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -22.839 8.058 17.975 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -23.188 6.954 20.247 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -23.914 8.444 20.816 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -25.641 8.308 19.011 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -24.903 6.841 18.401 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -25.367 5.670 20.562 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -26.016 7.146 21.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -27.790 5.779 20.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -27.648 7.244 19.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -27.019 5.814 18.762 1.00 0.00 H new ATOM 25 N ASN A 2 -21.208 10.437 17.605 1.00 0.00 N ATOM 26 CA ASN A 2 -20.399 11.104 16.545 1.00 0.00 C ATOM 27 C ASN A 2 -19.844 12.435 17.059 1.00 0.00 C ATOM 28 O ASN A 2 -20.555 13.235 17.632 1.00 0.00 O ATOM 29 CB ASN A 2 -21.377 11.343 15.394 1.00 0.00 C ATOM 30 CG ASN A 2 -22.007 10.013 14.976 1.00 0.00 C ATOM 31 OD1 ASN A 2 -23.201 9.933 14.767 1.00 0.00 O ATOM 32 ND2 ASN A 2 -21.249 8.959 14.843 1.00 0.00 N ATOM 0 H ASN A 2 -22.189 10.714 17.641 1.00 0.00 H new ATOM 0 HA ASN A 2 -19.544 10.501 16.238 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -22.153 12.044 15.701 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -20.857 11.793 14.548 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -21.659 8.068 14.564 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -20.246 9.026 15.019 1.00 0.00 H new ATOM 39 N GLU A 3 -18.578 12.676 16.856 1.00 0.00 N ATOM 40 CA GLU A 3 -17.978 13.956 17.332 1.00 0.00 C ATOM 41 C GLU A 3 -18.673 15.145 16.663 1.00 0.00 C ATOM 42 O GLU A 3 -18.707 16.237 17.194 1.00 0.00 O ATOM 43 CB GLU A 3 -16.511 13.885 16.911 1.00 0.00 C ATOM 44 CG GLU A 3 -15.838 12.697 17.601 1.00 0.00 C ATOM 45 CD GLU A 3 -14.401 12.559 17.095 1.00 0.00 C ATOM 46 OE1 GLU A 3 -13.720 13.569 17.019 1.00 0.00 O ATOM 47 OE2 GLU A 3 -14.005 11.446 16.790 1.00 0.00 O ATOM 0 H GLU A 3 -17.933 12.044 16.382 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.087 14.090 18.408 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.437 13.780 15.829 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.000 14.810 17.177 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -15.842 12.841 18.681 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -16.395 11.782 17.399 1.00 0.00 H new ATOM 54 N ASP A 4 -19.228 14.941 15.500 1.00 0.00 N ATOM 55 CA ASP A 4 -19.921 16.059 14.795 1.00 0.00 C ATOM 56 C ASP A 4 -21.153 16.499 15.588 1.00 0.00 C ATOM 57 O ASP A 4 -21.683 17.574 15.386 1.00 0.00 O ATOM 58 CB ASP A 4 -20.337 15.476 13.446 1.00 0.00 C ATOM 59 CG ASP A 4 -19.106 15.339 12.547 1.00 0.00 C ATOM 60 OD1 ASP A 4 -18.120 16.002 12.822 1.00 0.00 O ATOM 61 OD2 ASP A 4 -19.171 14.576 11.598 1.00 0.00 O ATOM 0 H ASP A 4 -19.232 14.048 15.006 1.00 0.00 H new ATOM 0 HA ASP A 4 -19.283 16.936 14.683 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -20.807 14.503 13.588 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -21.077 16.121 12.972 1.00 0.00 H new ATOM 66 N GLN A 5 -21.611 15.678 16.491 1.00 0.00 N ATOM 67 CA GLN A 5 -22.807 16.049 17.301 1.00 0.00 C ATOM 68 C GLN A 5 -22.370 16.875 18.509 1.00 0.00 C ATOM 69 O GLN A 5 -22.937 17.905 18.814 1.00 0.00 O ATOM 70 CB GLN A 5 -23.416 14.719 17.748 1.00 0.00 C ATOM 71 CG GLN A 5 -24.140 14.068 16.567 1.00 0.00 C ATOM 72 CD GLN A 5 -25.131 15.065 15.964 1.00 0.00 C ATOM 73 OE1 GLN A 5 -25.541 16.003 16.619 1.00 0.00 O ATOM 74 NE2 GLN A 5 -25.538 14.900 14.735 1.00 0.00 N ATOM 0 H GLN A 5 -21.209 14.765 16.704 1.00 0.00 H new ATOM 0 HA GLN A 5 -23.524 16.649 16.740 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -22.635 14.056 18.120 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.113 14.884 18.570 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -23.419 13.755 15.812 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -24.665 13.172 16.898 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -25.194 14.113 14.185 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -26.200 15.558 14.324 1.00 0.00 H new ATOM 83 N GLU A 6 -21.350 16.433 19.186 1.00 0.00 N ATOM 84 CA GLU A 6 -20.850 17.190 20.367 1.00 0.00 C ATOM 85 C GLU A 6 -19.791 18.198 19.914 1.00 0.00 C ATOM 86 O GLU A 6 -19.370 19.056 20.664 1.00 0.00 O ATOM 87 CB GLU A 6 -20.234 16.135 21.286 1.00 0.00 C ATOM 88 CG GLU A 6 -21.347 15.285 21.902 1.00 0.00 C ATOM 89 CD GLU A 6 -21.812 14.238 20.887 1.00 0.00 C ATOM 90 OE1 GLU A 6 -20.963 13.555 20.339 1.00 0.00 O ATOM 91 OE2 GLU A 6 -23.010 14.137 20.676 1.00 0.00 O ATOM 0 H GLU A 6 -20.838 15.577 18.972 1.00 0.00 H new ATOM 0 HA GLU A 6 -21.637 17.750 20.873 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.548 15.503 20.723 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.652 16.617 22.072 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.986 14.795 22.806 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -22.184 15.919 22.195 1.00 0.00 H new ATOM 98 N MET A 7 -19.363 18.097 18.684 1.00 0.00 N ATOM 99 CA MET A 7 -18.337 19.043 18.164 1.00 0.00 C ATOM 100 C MET A 7 -17.062 18.964 19.010 1.00 0.00 C ATOM 101 O MET A 7 -16.668 17.907 19.459 1.00 0.00 O ATOM 102 CB MET A 7 -18.977 20.426 18.280 1.00 0.00 C ATOM 103 CG MET A 7 -20.319 20.431 17.544 1.00 0.00 C ATOM 104 SD MET A 7 -20.854 22.139 17.279 1.00 0.00 S ATOM 105 CE MET A 7 -21.643 22.384 18.890 1.00 0.00 C ATOM 0 H MET A 7 -19.682 17.396 18.015 1.00 0.00 H new ATOM 0 HA MET A 7 -18.048 18.814 17.138 1.00 0.00 H new ATOM 0 HB2 MET A 7 -19.124 20.683 19.329 1.00 0.00 H new ATOM 0 HB3 MET A 7 -18.315 21.181 17.856 1.00 0.00 H new ATOM 0 HG2 MET A 7 -20.224 19.916 16.588 1.00 0.00 H new ATOM 0 HG3 MET A 7 -21.066 19.890 18.124 1.00 0.00 H new ATOM 0 HE1 MET A 7 -22.051 23.393 18.946 1.00 0.00 H new ATOM 0 HE2 MET A 7 -22.448 21.660 19.015 1.00 0.00 H new ATOM 0 HE3 MET A 7 -20.906 22.247 19.681 1.00 0.00 H new ATOM 115 N CYS A 8 -16.416 20.076 19.227 1.00 0.00 N ATOM 116 CA CYS A 8 -15.166 20.066 20.040 1.00 0.00 C ATOM 117 C CYS A 8 -15.453 20.549 21.464 1.00 0.00 C ATOM 118 O CYS A 8 -15.827 21.684 21.681 1.00 0.00 O ATOM 119 CB CYS A 8 -14.224 21.036 19.327 1.00 0.00 C ATOM 120 SG CYS A 8 -13.611 20.273 17.805 1.00 0.00 S ATOM 0 H CYS A 8 -16.699 20.991 18.877 1.00 0.00 H new ATOM 0 HA CYS A 8 -14.738 19.067 20.125 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -14.747 21.964 19.096 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.389 21.294 19.979 1.00 0.00 H new ATOM 125 N HIS A 9 -15.272 19.698 22.437 1.00 0.00 N ATOM 126 CA HIS A 9 -15.530 20.113 23.846 1.00 0.00 C ATOM 127 C HIS A 9 -14.204 20.277 24.593 1.00 0.00 C ATOM 128 O HIS A 9 -14.111 21.007 25.560 1.00 0.00 O ATOM 129 CB HIS A 9 -16.354 18.978 24.454 1.00 0.00 C ATOM 130 CG HIS A 9 -15.535 17.717 24.476 1.00 0.00 C ATOM 131 ND1 HIS A 9 -14.498 17.524 25.375 1.00 0.00 N ATOM 132 CD2 HIS A 9 -15.591 16.575 23.716 1.00 0.00 C ATOM 133 CE1 HIS A 9 -13.976 16.307 25.135 1.00 0.00 C ATOM 134 NE2 HIS A 9 -14.606 15.686 24.134 1.00 0.00 N ATOM 0 H HIS A 9 -14.957 18.735 22.318 1.00 0.00 H new ATOM 0 HA HIS A 9 -16.053 21.068 23.908 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -16.663 19.241 25.466 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -17.263 18.823 23.873 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -14.187 18.184 26.088 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -16.293 16.394 22.915 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -13.148 15.884 25.685 1.00 0.00 H new ATOM 142 N GLU A 10 -13.177 19.607 24.149 1.00 0.00 N ATOM 143 CA GLU A 10 -11.856 19.727 24.831 1.00 0.00 C ATOM 144 C GLU A 10 -10.986 20.761 24.113 1.00 0.00 C ATOM 145 O GLU A 10 -10.329 21.573 24.734 1.00 0.00 O ATOM 146 CB GLU A 10 -11.230 18.336 24.733 1.00 0.00 C ATOM 147 CG GLU A 10 -10.009 18.262 25.652 1.00 0.00 C ATOM 148 CD GLU A 10 -9.275 16.939 25.423 1.00 0.00 C ATOM 149 OE1 GLU A 10 -9.896 15.903 25.594 1.00 0.00 O ATOM 150 OE2 GLU A 10 -8.106 16.985 25.080 1.00 0.00 O ATOM 0 H GLU A 10 -13.194 18.981 23.344 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.953 20.056 25.866 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.959 17.577 25.016 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.937 18.129 23.704 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.340 19.100 25.454 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.320 18.342 26.694 1.00 0.00 H new ATOM 157 N PHE A 11 -10.978 20.740 22.807 1.00 0.00 N ATOM 158 CA PHE A 11 -10.152 21.724 22.052 1.00 0.00 C ATOM 159 C PHE A 11 -10.857 23.082 22.010 1.00 0.00 C ATOM 160 O PHE A 11 -10.248 24.097 21.743 1.00 0.00 O ATOM 161 CB PHE A 11 -10.040 21.153 20.641 1.00 0.00 C ATOM 162 CG PHE A 11 -9.079 19.986 20.629 1.00 0.00 C ATOM 163 CD1 PHE A 11 -9.472 18.745 21.146 1.00 0.00 C ATOM 164 CD2 PHE A 11 -7.796 20.146 20.092 1.00 0.00 C ATOM 165 CE1 PHE A 11 -8.582 17.665 21.123 1.00 0.00 C ATOM 166 CE2 PHE A 11 -6.906 19.064 20.069 1.00 0.00 C ATOM 167 CZ PHE A 11 -7.301 17.824 20.584 1.00 0.00 C ATOM 0 H PHE A 11 -11.507 20.085 22.232 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.176 21.877 22.513 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -11.021 20.830 20.292 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.695 21.926 19.954 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -10.461 18.622 21.562 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.492 21.104 19.695 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.885 16.708 21.522 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.916 19.187 19.654 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.616 16.989 20.565 1.00 0.00 H new ATOM 177 N GLN A 12 -12.136 23.111 22.266 1.00 0.00 N ATOM 178 CA GLN A 12 -12.866 24.409 22.233 1.00 0.00 C ATOM 179 C GLN A 12 -12.082 25.461 23.019 1.00 0.00 C ATOM 180 O GLN A 12 -11.986 26.605 22.622 1.00 0.00 O ATOM 181 CB GLN A 12 -14.213 24.136 22.898 1.00 0.00 C ATOM 182 CG GLN A 12 -15.197 25.243 22.514 1.00 0.00 C ATOM 183 CD GLN A 12 -16.259 25.389 23.607 1.00 0.00 C ATOM 184 OE1 GLN A 12 -16.102 24.871 24.694 1.00 0.00 O ATOM 185 NE2 GLN A 12 -17.340 26.078 23.362 1.00 0.00 N ATOM 0 H GLN A 12 -12.705 22.296 22.496 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.992 24.787 21.219 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.598 23.166 22.583 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.096 24.096 23.981 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.666 26.185 22.381 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.671 25.007 21.561 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.472 26.513 22.449 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.053 26.182 24.084 1.00 0.00 H new ATOM 194 N ALA A 13 -11.513 25.079 24.128 1.00 0.00 N ATOM 195 CA ALA A 13 -10.726 26.053 24.932 1.00 0.00 C ATOM 196 C ALA A 13 -9.511 26.521 24.128 1.00 0.00 C ATOM 197 O ALA A 13 -8.896 27.521 24.437 1.00 0.00 O ATOM 198 CB ALA A 13 -10.285 25.279 26.174 1.00 0.00 C ATOM 0 H ALA A 13 -11.559 24.135 24.512 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.301 26.941 25.195 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.697 25.931 26.820 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -11.164 24.929 26.715 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.679 24.424 25.874 1.00 0.00 H new ATOM 204 N PHE A 14 -9.164 25.801 23.095 1.00 0.00 N ATOM 205 CA PHE A 14 -7.992 26.199 22.269 1.00 0.00 C ATOM 206 C PHE A 14 -8.419 27.200 21.190 1.00 0.00 C ATOM 207 O PHE A 14 -7.694 27.460 20.251 1.00 0.00 O ATOM 208 CB PHE A 14 -7.505 24.897 21.631 1.00 0.00 C ATOM 209 CG PHE A 14 -7.098 23.913 22.707 1.00 0.00 C ATOM 210 CD1 PHE A 14 -6.876 24.348 24.022 1.00 0.00 C ATOM 211 CD2 PHE A 14 -6.943 22.559 22.385 1.00 0.00 C ATOM 212 CE1 PHE A 14 -6.500 23.430 25.009 1.00 0.00 C ATOM 213 CE2 PHE A 14 -6.566 21.642 23.374 1.00 0.00 C ATOM 214 CZ PHE A 14 -6.345 22.077 24.686 1.00 0.00 C ATOM 0 H PHE A 14 -9.643 24.954 22.789 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.214 26.684 22.858 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.294 24.468 21.014 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -6.660 25.099 20.973 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.995 25.392 24.273 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.114 22.222 21.373 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.329 23.766 26.021 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.446 20.598 23.124 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.055 21.369 25.448 1.00 0.00 H new ATOM 224 N MET A 15 -9.591 27.758 21.314 1.00 0.00 N ATOM 225 CA MET A 15 -10.061 28.735 20.296 1.00 0.00 C ATOM 226 C MET A 15 -9.620 30.150 20.670 1.00 0.00 C ATOM 227 O MET A 15 -10.193 30.784 21.533 1.00 0.00 O ATOM 228 CB MET A 15 -11.581 28.624 20.324 1.00 0.00 C ATOM 229 CG MET A 15 -11.982 27.209 19.919 1.00 0.00 C ATOM 230 SD MET A 15 -13.780 27.032 20.033 1.00 0.00 S ATOM 231 CE MET A 15 -14.180 27.770 18.430 1.00 0.00 C ATOM 0 H MET A 15 -10.243 27.579 22.077 1.00 0.00 H new ATOM 0 HA MET A 15 -9.651 28.530 19.307 1.00 0.00 H new ATOM 0 HB2 MET A 15 -11.957 28.851 21.322 1.00 0.00 H new ATOM 0 HB3 MET A 15 -12.024 29.351 19.643 1.00 0.00 H new ATOM 0 HG2 MET A 15 -11.650 27.003 18.901 1.00 0.00 H new ATOM 0 HG3 MET A 15 -11.493 26.482 20.567 1.00 0.00 H new ATOM 0 HE1 MET A 15 -15.234 27.606 18.207 1.00 0.00 H new ATOM 0 HE2 MET A 15 -13.978 28.841 18.462 1.00 0.00 H new ATOM 0 HE3 MET A 15 -13.569 27.308 17.654 1.00 0.00 H new ATOM 241 N LYS A 16 -8.608 30.647 20.021 1.00 0.00 N ATOM 242 CA LYS A 16 -8.127 32.025 20.331 1.00 0.00 C ATOM 243 C LYS A 16 -8.693 33.020 19.315 1.00 0.00 C ATOM 244 O LYS A 16 -8.243 33.095 18.189 1.00 0.00 O ATOM 245 CB LYS A 16 -6.604 31.949 20.216 1.00 0.00 C ATOM 246 CG LYS A 16 -6.010 33.347 20.404 1.00 0.00 C ATOM 247 CD LYS A 16 -4.489 33.281 20.252 1.00 0.00 C ATOM 248 CE LYS A 16 -3.913 32.323 21.296 1.00 0.00 C ATOM 249 NZ LYS A 16 -2.441 32.348 21.065 1.00 0.00 N ATOM 0 H LYS A 16 -8.091 30.161 19.288 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.444 32.362 21.318 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.205 31.268 20.968 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.321 31.550 19.242 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.430 34.034 19.669 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.271 33.735 21.389 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.227 32.943 19.249 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.057 34.274 20.377 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.160 32.645 22.308 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.315 31.317 21.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.972 31.714 21.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.236 32.030 20.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.086 33.317 21.194 1.00 0.00 H new ATOM 263 N ASN A 17 -9.679 33.783 19.702 1.00 0.00 N ATOM 264 CA ASN A 17 -10.273 34.770 18.756 1.00 0.00 C ATOM 265 C ASN A 17 -10.788 34.053 17.504 1.00 0.00 C ATOM 266 O ASN A 17 -10.405 34.367 16.396 1.00 0.00 O ATOM 267 CB ASN A 17 -9.124 35.714 18.397 1.00 0.00 C ATOM 268 CG ASN A 17 -9.684 36.961 17.711 1.00 0.00 C ATOM 269 OD1 ASN A 17 -9.365 38.140 18.167 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 -10.420 36.861 16.748 1.00 0.00 N flip ATOM 0 H ASN A 17 -10.099 33.766 20.632 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.119 35.303 19.190 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.576 35.996 19.296 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.417 35.210 17.738 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.670 35.939 16.391 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.787 37.699 16.298 1.00 0.00 H new ATOM 277 N GLY A 18 -11.652 33.090 17.676 1.00 0.00 N ATOM 278 CA GLY A 18 -12.187 32.352 16.498 1.00 0.00 C ATOM 279 C GLY A 18 -11.048 31.589 15.820 1.00 0.00 C ATOM 280 O GLY A 18 -11.104 31.283 14.646 1.00 0.00 O ATOM 0 H GLY A 18 -12.010 32.783 18.580 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -12.968 31.659 16.812 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.643 33.048 15.794 1.00 0.00 H new ATOM 284 N LYS A 19 -10.012 31.281 16.553 1.00 0.00 N ATOM 285 CA LYS A 19 -8.867 30.539 15.952 1.00 0.00 C ATOM 286 C LYS A 19 -8.511 29.326 16.814 1.00 0.00 C ATOM 287 O LYS A 19 -7.980 29.458 17.900 1.00 0.00 O ATOM 288 CB LYS A 19 -7.713 31.541 15.937 1.00 0.00 C ATOM 289 CG LYS A 19 -6.596 31.019 15.030 1.00 0.00 C ATOM 290 CD LYS A 19 -5.665 30.113 15.837 1.00 0.00 C ATOM 291 CE LYS A 19 -4.577 29.551 14.919 1.00 0.00 C ATOM 292 NZ LYS A 19 -3.678 30.707 14.642 1.00 0.00 N ATOM 0 H LYS A 19 -9.909 31.511 17.541 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.096 30.163 14.955 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.063 32.510 15.580 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.335 31.691 16.948 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.022 30.467 14.192 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.034 31.853 14.610 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.212 30.675 16.654 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.233 29.298 16.287 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.036 28.736 15.400 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.003 29.152 13.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.703 30.367 14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.990 31.189 13.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.713 31.373 15.440 1.00 0.00 H new ATOM 306 N LEU A 20 -8.797 28.146 16.340 1.00 0.00 N ATOM 307 CA LEU A 20 -8.472 26.926 17.132 1.00 0.00 C ATOM 308 C LEU A 20 -7.012 26.527 16.907 1.00 0.00 C ATOM 309 O LEU A 20 -6.657 26.003 15.870 1.00 0.00 O ATOM 310 CB LEU A 20 -9.410 25.844 16.592 1.00 0.00 C ATOM 311 CG LEU A 20 -9.548 24.721 17.624 1.00 0.00 C ATOM 312 CD1 LEU A 20 -10.332 23.559 17.009 1.00 0.00 C ATOM 313 CD2 LEU A 20 -8.159 24.234 18.042 1.00 0.00 C ATOM 0 H LEU A 20 -9.242 27.973 15.439 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.600 27.081 18.203 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.388 26.273 16.373 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.020 25.445 15.656 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.078 25.096 18.499 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -10.431 22.759 17.742 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.322 23.905 16.713 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.801 23.185 16.133 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.259 23.435 18.776 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.627 23.859 17.168 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.600 25.061 18.480 1.00 0.00 H new ATOM 325 N PHE A 21 -6.160 26.761 17.869 1.00 0.00 N ATOM 326 CA PHE A 21 -4.730 26.377 17.689 1.00 0.00 C ATOM 327 C PHE A 21 -4.498 24.960 18.220 1.00 0.00 C ATOM 328 O PHE A 21 -3.881 24.756 19.244 1.00 0.00 O ATOM 329 CB PHE A 21 -3.897 27.413 18.465 1.00 0.00 C ATOM 330 CG PHE A 21 -4.427 27.606 19.870 1.00 0.00 C ATOM 331 CD1 PHE A 21 -3.956 26.801 20.915 1.00 0.00 C ATOM 332 CD2 PHE A 21 -5.373 28.606 20.130 1.00 0.00 C ATOM 333 CE1 PHE A 21 -4.434 26.994 22.217 1.00 0.00 C ATOM 334 CE2 PHE A 21 -5.851 28.798 21.432 1.00 0.00 C ATOM 335 CZ PHE A 21 -5.381 27.992 22.475 1.00 0.00 C ATOM 0 H PHE A 21 -6.389 27.197 18.762 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.442 26.372 16.638 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.857 27.088 18.508 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.912 28.365 17.935 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.224 26.032 20.717 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.734 29.229 19.325 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.072 26.372 23.023 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.582 29.568 21.631 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.749 28.140 23.479 1.00 0.00 H new ATOM 345 N CYS A 22 -4.994 23.979 17.519 1.00 0.00 N ATOM 346 CA CYS A 22 -4.815 22.567 17.961 1.00 0.00 C ATOM 347 C CYS A 22 -3.346 22.265 18.297 1.00 0.00 C ATOM 348 O CYS A 22 -3.067 21.681 19.325 1.00 0.00 O ATOM 349 CB CYS A 22 -5.279 21.714 16.778 1.00 0.00 C ATOM 350 SG CYS A 22 -6.178 20.269 17.391 1.00 0.00 S ATOM 0 H CYS A 22 -5.520 24.095 16.653 1.00 0.00 H new ATOM 0 HA CYS A 22 -5.383 22.361 18.868 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -5.920 22.302 16.121 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.421 21.397 16.186 1.00 0.00 H new ATOM 355 N PRO A 23 -2.442 22.656 17.425 1.00 0.00 N ATOM 356 CA PRO A 23 -1.003 22.390 17.666 1.00 0.00 C ATOM 357 C PRO A 23 -0.522 23.103 18.933 1.00 0.00 C ATOM 358 O PRO A 23 0.185 24.088 18.875 1.00 0.00 O ATOM 359 CB PRO A 23 -0.337 22.964 16.413 1.00 0.00 C ATOM 360 CG PRO A 23 -1.429 23.534 15.488 1.00 0.00 C ATOM 361 CD PRO A 23 -2.792 23.374 16.173 1.00 0.00 C ATOM 0 HA PRO A 23 -0.775 21.336 17.825 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.372 23.746 16.687 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.228 22.188 15.897 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.234 24.586 15.277 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.424 23.011 14.532 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.260 24.338 16.375 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.490 22.804 15.560 1.00 0.00 H new ATOM 369 N GLN A 24 -0.899 22.602 20.079 1.00 0.00 N ATOM 370 CA GLN A 24 -0.462 23.238 21.355 1.00 0.00 C ATOM 371 C GLN A 24 0.697 22.441 21.959 1.00 0.00 C ATOM 372 O GLN A 24 1.742 22.977 22.271 1.00 0.00 O ATOM 373 CB GLN A 24 -1.693 23.183 22.264 1.00 0.00 C ATOM 374 CG GLN A 24 -1.266 23.332 23.727 1.00 0.00 C ATOM 375 CD GLN A 24 -2.509 23.447 24.612 1.00 0.00 C ATOM 376 OE1 GLN A 24 -2.741 24.470 25.224 1.00 0.00 O ATOM 377 NE2 GLN A 24 -3.325 22.432 24.705 1.00 0.00 N ATOM 0 H GLN A 24 -1.491 21.779 20.186 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.109 24.260 21.217 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.390 23.978 21.996 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.218 22.238 22.123 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.668 22.473 24.032 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.639 24.216 23.846 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.131 21.573 24.191 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.157 22.498 25.291 1.00 0.00 H new ATOM 386 N ASP A 25 0.515 21.163 22.119 1.00 0.00 N ATOM 387 CA ASP A 25 1.597 20.315 22.696 1.00 0.00 C ATOM 388 C ASP A 25 1.292 18.836 22.439 1.00 0.00 C ATOM 389 O ASP A 25 1.069 18.069 23.354 1.00 0.00 O ATOM 390 CB ASP A 25 1.584 20.619 24.195 1.00 0.00 C ATOM 391 CG ASP A 25 2.699 19.829 24.884 1.00 0.00 C ATOM 392 OD1 ASP A 25 3.541 19.295 24.181 1.00 0.00 O ATOM 393 OD2 ASP A 25 2.691 19.771 26.103 1.00 0.00 O ATOM 0 H ASP A 25 -0.340 20.664 21.874 1.00 0.00 H new ATOM 0 HA ASP A 25 2.571 20.522 22.252 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.724 21.687 24.362 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.617 20.353 24.623 1.00 0.00 H new ATOM 398 N LYS A 26 1.277 18.435 21.198 1.00 0.00 N ATOM 399 CA LYS A 26 0.984 17.010 20.869 1.00 0.00 C ATOM 400 C LYS A 26 1.939 16.070 21.612 1.00 0.00 C ATOM 401 O LYS A 26 1.705 14.882 21.700 1.00 0.00 O ATOM 402 CB LYS A 26 1.193 16.905 19.358 1.00 0.00 C ATOM 403 CG LYS A 26 0.041 17.604 18.632 1.00 0.00 C ATOM 404 CD LYS A 26 0.269 17.526 17.122 1.00 0.00 C ATOM 405 CE LYS A 26 -0.737 18.431 16.406 1.00 0.00 C ATOM 406 NZ LYS A 26 -0.452 18.245 14.956 1.00 0.00 N ATOM 0 H LYS A 26 1.456 19.035 20.393 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.024 16.722 21.167 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.143 17.362 19.079 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.243 15.858 19.059 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.907 17.133 18.892 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.024 18.645 18.948 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.287 17.833 16.881 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.157 16.497 16.779 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.762 18.151 16.647 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.613 19.472 16.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.102 18.834 14.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.529 18.526 14.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.584 17.245 14.702 1.00 0.00 H new ATOM 420 N LYS A 27 3.012 16.591 22.148 1.00 0.00 N ATOM 421 CA LYS A 27 3.976 15.725 22.885 1.00 0.00 C ATOM 422 C LYS A 27 3.226 14.709 23.752 1.00 0.00 C ATOM 423 O LYS A 27 3.724 13.640 24.044 1.00 0.00 O ATOM 424 CB LYS A 27 4.776 16.690 23.759 1.00 0.00 C ATOM 425 CG LYS A 27 5.593 17.627 22.867 1.00 0.00 C ATOM 426 CD LYS A 27 6.546 18.454 23.732 1.00 0.00 C ATOM 427 CE LYS A 27 7.446 19.303 22.831 1.00 0.00 C ATOM 428 NZ LYS A 27 8.386 19.986 23.764 1.00 0.00 N ATOM 0 H LYS A 27 3.261 17.579 22.106 1.00 0.00 H new ATOM 0 HA LYS A 27 4.615 15.152 22.213 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.103 17.268 24.392 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.438 16.133 24.423 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.158 17.049 22.136 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.928 18.286 22.308 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.978 19.096 24.406 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.153 17.796 24.354 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.983 18.684 22.112 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.864 20.025 22.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.037 20.588 23.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.847 20.573 24.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.931 19.274 24.291 1.00 0.00 H new ATOM 442 N PHE A 28 2.029 15.032 24.163 1.00 0.00 N ATOM 443 CA PHE A 28 1.247 14.082 25.005 1.00 0.00 C ATOM 444 C PHE A 28 1.159 12.715 24.318 1.00 0.00 C ATOM 445 O PHE A 28 0.871 11.713 24.942 1.00 0.00 O ATOM 446 CB PHE A 28 -0.139 14.716 25.128 1.00 0.00 C ATOM 447 CG PHE A 28 0.003 16.152 25.576 1.00 0.00 C ATOM 448 CD1 PHE A 28 0.867 16.474 26.629 1.00 0.00 C ATOM 449 CD2 PHE A 28 -0.730 17.161 24.939 1.00 0.00 C ATOM 450 CE1 PHE A 28 0.998 17.804 27.045 1.00 0.00 C ATOM 451 CE2 PHE A 28 -0.598 18.490 25.354 1.00 0.00 C ATOM 452 CZ PHE A 28 0.266 18.812 26.407 1.00 0.00 C ATOM 0 H PHE A 28 1.559 15.912 23.952 1.00 0.00 H new ATOM 0 HA PHE A 28 1.706 13.915 25.979 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.657 14.672 24.170 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.744 14.159 25.843 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.433 15.696 27.121 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.397 16.913 24.127 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.664 18.052 27.858 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.163 19.268 24.862 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.368 19.838 26.727 1.00 0.00 H new ATOM 462 N PHE A 29 1.407 12.668 23.036 1.00 0.00 N ATOM 463 CA PHE A 29 1.343 11.369 22.304 1.00 0.00 C ATOM 464 C PHE A 29 1.987 10.254 23.135 1.00 0.00 C ATOM 465 O PHE A 29 1.662 9.092 22.990 1.00 0.00 O ATOM 466 CB PHE A 29 2.140 11.606 21.019 1.00 0.00 C ATOM 467 CG PHE A 29 2.018 10.405 20.113 1.00 0.00 C ATOM 468 CD1 PHE A 29 2.693 9.219 20.427 1.00 0.00 C ATOM 469 CD2 PHE A 29 1.233 10.477 18.955 1.00 0.00 C ATOM 470 CE1 PHE A 29 2.582 8.106 19.585 1.00 0.00 C ATOM 471 CE2 PHE A 29 1.124 9.364 18.112 1.00 0.00 C ATOM 472 CZ PHE A 29 1.798 8.179 18.428 1.00 0.00 C ATOM 0 H PHE A 29 1.652 13.475 22.463 1.00 0.00 H new ATOM 0 HA PHE A 29 0.318 11.059 22.103 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.770 12.496 20.510 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.188 11.788 21.258 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.299 9.163 21.319 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.712 11.391 18.712 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.101 7.191 19.828 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.520 9.420 17.218 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.713 7.320 17.779 1.00 0.00 H new ATOM 482 N GLN A 30 2.903 10.599 23.998 1.00 0.00 N ATOM 483 CA GLN A 30 3.573 9.560 24.833 1.00 0.00 C ATOM 484 C GLN A 30 2.580 8.931 25.816 1.00 0.00 C ATOM 485 O GLN A 30 2.901 7.992 26.518 1.00 0.00 O ATOM 486 CB GLN A 30 4.666 10.314 25.591 1.00 0.00 C ATOM 487 CG GLN A 30 4.021 11.261 26.604 1.00 0.00 C ATOM 488 CD GLN A 30 5.101 12.129 27.251 1.00 0.00 C ATOM 489 OE1 GLN A 30 6.050 11.620 27.814 1.00 0.00 O ATOM 490 NE2 GLN A 30 4.996 13.428 27.195 1.00 0.00 N ATOM 0 H GLN A 30 3.217 11.556 24.162 1.00 0.00 H new ATOM 0 HA GLN A 30 3.973 8.745 24.229 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.322 9.609 26.102 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.285 10.877 24.893 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.281 11.891 26.109 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.493 10.689 27.367 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.199 13.855 26.722 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.710 14.016 27.624 1.00 0.00 H new ATOM 499 N SER A 31 1.378 9.439 25.878 1.00 0.00 N ATOM 500 CA SER A 31 0.376 8.862 26.821 1.00 0.00 C ATOM 501 C SER A 31 -0.957 8.631 26.107 1.00 0.00 C ATOM 502 O SER A 31 -1.281 9.299 25.145 1.00 0.00 O ATOM 503 CB SER A 31 0.219 9.912 27.922 1.00 0.00 C ATOM 504 OG SER A 31 1.472 10.119 28.560 1.00 0.00 O ATOM 0 H SER A 31 1.047 10.225 25.319 1.00 0.00 H new ATOM 0 HA SER A 31 0.692 7.897 27.217 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.144 10.848 27.498 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.522 9.583 28.650 1.00 0.00 H new ATOM 0 HG SER A 31 1.373 10.793 29.265 1.00 0.00 H new ATOM 510 N LEU A 32 -1.737 7.691 26.570 1.00 0.00 N ATOM 511 CA LEU A 32 -3.049 7.425 25.914 1.00 0.00 C ATOM 512 C LEU A 32 -3.856 8.718 25.815 1.00 0.00 C ATOM 513 O LEU A 32 -4.418 9.035 24.786 1.00 0.00 O ATOM 514 CB LEU A 32 -3.757 6.422 26.824 1.00 0.00 C ATOM 515 CG LEU A 32 -4.814 5.663 26.018 1.00 0.00 C ATOM 516 CD1 LEU A 32 -5.114 4.327 26.701 1.00 0.00 C ATOM 517 CD2 LEU A 32 -6.094 6.497 25.944 1.00 0.00 C ATOM 0 H LEU A 32 -1.523 7.098 27.372 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.933 7.040 24.901 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.034 5.723 27.246 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.225 6.941 27.661 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.441 5.480 25.010 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.867 3.786 26.127 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.202 3.733 26.754 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.487 4.509 27.709 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.847 5.957 25.370 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.468 6.680 26.951 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.880 7.449 25.458 1.00 0.00 H new ATOM 529 N ASP A 33 -3.908 9.472 26.875 1.00 0.00 N ATOM 530 CA ASP A 33 -4.670 10.750 26.839 1.00 0.00 C ATOM 531 C ASP A 33 -4.120 11.629 25.719 1.00 0.00 C ATOM 532 O ASP A 33 -4.857 12.272 25.000 1.00 0.00 O ATOM 533 CB ASP A 33 -4.435 11.399 28.204 1.00 0.00 C ATOM 534 CG ASP A 33 -5.154 10.588 29.284 1.00 0.00 C ATOM 535 OD1 ASP A 33 -6.164 9.982 28.969 1.00 0.00 O ATOM 536 OD2 ASP A 33 -4.681 10.586 30.409 1.00 0.00 O ATOM 0 H ASP A 33 -3.456 9.259 27.765 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.733 10.603 26.650 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.367 11.444 28.418 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.803 12.425 28.199 1.00 0.00 H new ATOM 541 N GLY A 34 -2.828 11.640 25.554 1.00 0.00 N ATOM 542 CA GLY A 34 -2.229 12.457 24.466 1.00 0.00 C ATOM 543 C GLY A 34 -2.585 11.807 23.131 1.00 0.00 C ATOM 544 O GLY A 34 -3.045 12.454 22.213 1.00 0.00 O ATOM 0 H GLY A 34 -2.162 11.119 26.125 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.608 13.478 24.505 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.147 12.514 24.585 1.00 0.00 H new ATOM 548 N ILE A 35 -2.393 10.525 23.026 1.00 0.00 N ATOM 549 CA ILE A 35 -2.739 9.828 21.759 1.00 0.00 C ATOM 550 C ILE A 35 -4.206 10.090 21.423 1.00 0.00 C ATOM 551 O ILE A 35 -4.581 10.198 20.273 1.00 0.00 O ATOM 552 CB ILE A 35 -2.495 8.342 22.039 1.00 0.00 C ATOM 553 CG1 ILE A 35 -1.000 8.044 21.918 1.00 0.00 C ATOM 554 CG2 ILE A 35 -3.264 7.491 21.026 1.00 0.00 C ATOM 555 CD1 ILE A 35 -0.496 8.522 20.555 1.00 0.00 C ATOM 0 H ILE A 35 -2.012 9.930 23.761 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.147 10.171 20.910 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.839 8.103 23.045 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.452 8.544 22.717 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.821 6.975 22.030 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.087 6.435 21.229 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.330 7.703 21.108 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.923 7.728 20.018 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.570 8.311 20.467 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.036 8.001 19.764 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.662 9.595 20.462 1.00 0.00 H new ATOM 567 N MET A 36 -5.037 10.203 22.422 1.00 0.00 N ATOM 568 CA MET A 36 -6.480 10.468 22.160 1.00 0.00 C ATOM 569 C MET A 36 -6.670 11.910 21.690 1.00 0.00 C ATOM 570 O MET A 36 -7.082 12.160 20.575 1.00 0.00 O ATOM 571 CB MET A 36 -7.178 10.253 23.499 1.00 0.00 C ATOM 572 CG MET A 36 -7.736 8.829 23.565 1.00 0.00 C ATOM 573 SD MET A 36 -8.932 8.710 24.919 1.00 0.00 S ATOM 574 CE MET A 36 -10.422 8.602 23.897 1.00 0.00 C ATOM 0 H MET A 36 -4.780 10.124 23.406 1.00 0.00 H new ATOM 0 HA MET A 36 -6.882 9.818 21.383 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.476 10.418 24.317 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.984 10.976 23.620 1.00 0.00 H new ATOM 0 HG2 MET A 36 -8.214 8.570 22.620 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.926 8.116 23.718 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.299 8.520 24.539 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.506 9.497 23.281 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.360 7.724 23.254 1.00 0.00 H new ATOM 584 N PHE A 37 -6.372 12.867 22.529 1.00 0.00 N ATOM 585 CA PHE A 37 -6.540 14.287 22.114 1.00 0.00 C ATOM 586 C PHE A 37 -5.856 14.497 20.754 1.00 0.00 C ATOM 587 O PHE A 37 -6.442 15.028 19.832 1.00 0.00 O ATOM 588 CB PHE A 37 -5.902 15.115 23.252 1.00 0.00 C ATOM 589 CG PHE A 37 -4.763 15.974 22.743 1.00 0.00 C ATOM 590 CD1 PHE A 37 -3.479 15.434 22.628 1.00 0.00 C ATOM 591 CD2 PHE A 37 -4.997 17.305 22.385 1.00 0.00 C ATOM 592 CE1 PHE A 37 -2.429 16.223 22.151 1.00 0.00 C ATOM 593 CE2 PHE A 37 -3.946 18.096 21.909 1.00 0.00 C ATOM 594 CZ PHE A 37 -2.663 17.553 21.791 1.00 0.00 C ATOM 0 H PHE A 37 -6.022 12.727 23.477 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.578 14.588 21.975 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.660 15.749 23.711 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.534 14.445 24.029 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.298 14.407 22.908 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.989 17.722 22.476 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.437 15.805 22.061 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.125 19.125 21.633 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.852 18.162 21.421 1.00 0.00 H new ATOM 604 N ILE A 38 -4.630 14.064 20.614 1.00 0.00 N ATOM 605 CA ILE A 38 -3.936 14.223 19.303 1.00 0.00 C ATOM 606 C ILE A 38 -4.799 13.620 18.192 1.00 0.00 C ATOM 607 O ILE A 38 -4.839 14.116 17.084 1.00 0.00 O ATOM 608 CB ILE A 38 -2.624 13.446 19.436 1.00 0.00 C ATOM 609 CG1 ILE A 38 -1.675 14.193 20.377 1.00 0.00 C ATOM 610 CG2 ILE A 38 -1.974 13.308 18.056 1.00 0.00 C ATOM 611 CD1 ILE A 38 -0.259 13.630 20.238 1.00 0.00 C ATOM 0 H ILE A 38 -4.083 13.610 21.346 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.758 15.269 19.054 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.828 12.456 19.844 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.678 15.257 20.142 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.016 14.093 21.407 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.039 12.755 18.148 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.649 12.772 17.388 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.771 14.298 17.649 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.413 14.165 20.910 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.262 12.571 20.495 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.082 13.753 19.210 1.00 0.00 H new ATOM 623 N ASN A 39 -5.490 12.552 18.486 1.00 0.00 N ATOM 624 CA ASN A 39 -6.353 11.914 17.448 1.00 0.00 C ATOM 625 C ASN A 39 -7.586 12.781 17.191 1.00 0.00 C ATOM 626 O ASN A 39 -8.031 12.933 16.071 1.00 0.00 O ATOM 627 CB ASN A 39 -6.763 10.566 18.041 1.00 0.00 C ATOM 628 CG ASN A 39 -5.585 9.594 17.970 1.00 0.00 C ATOM 629 OD1 ASN A 39 -4.679 9.773 17.180 1.00 0.00 O ATOM 630 ND2 ASN A 39 -5.558 8.565 18.771 1.00 0.00 N ATOM 0 H ASN A 39 -5.495 12.094 19.397 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.836 11.797 16.496 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.080 10.694 19.076 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.615 10.161 17.495 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -4.776 7.911 18.734 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.318 8.415 19.434 1.00 0.00 H new ATOM 637 N LYS A 40 -8.134 13.353 18.224 1.00 0.00 N ATOM 638 CA LYS A 40 -9.337 14.217 18.048 1.00 0.00 C ATOM 639 C LYS A 40 -8.907 15.622 17.627 1.00 0.00 C ATOM 640 O LYS A 40 -9.667 16.369 17.047 1.00 0.00 O ATOM 641 CB LYS A 40 -10.009 14.248 19.421 1.00 0.00 C ATOM 642 CG LYS A 40 -11.493 14.577 19.253 1.00 0.00 C ATOM 643 CD LYS A 40 -12.083 14.978 20.607 1.00 0.00 C ATOM 644 CE LYS A 40 -13.380 15.758 20.388 1.00 0.00 C ATOM 645 NZ LYS A 40 -14.157 15.564 21.643 1.00 0.00 N ATOM 0 H LYS A 40 -7.802 13.261 19.184 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.011 13.842 17.278 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.893 13.284 19.917 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.530 14.993 20.056 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.618 15.388 18.535 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.025 13.713 18.854 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.278 14.090 21.208 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.369 15.587 21.161 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.181 16.814 20.205 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.926 15.383 19.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.119 15.938 21.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.206 14.550 21.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.689 16.069 22.423 1.00 0.00 H new ATOM 659 N CYS A 41 -7.687 15.982 17.912 1.00 0.00 N ATOM 660 CA CYS A 41 -7.195 17.335 17.526 1.00 0.00 C ATOM 661 C CYS A 41 -7.397 17.555 16.028 1.00 0.00 C ATOM 662 O CYS A 41 -8.254 18.306 15.607 1.00 0.00 O ATOM 663 CB CYS A 41 -5.706 17.316 17.865 1.00 0.00 C ATOM 664 SG CYS A 41 -4.889 18.741 17.108 1.00 0.00 S ATOM 0 H CYS A 41 -7.007 15.396 18.397 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.724 18.136 18.042 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.569 17.338 18.946 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -5.253 16.392 17.506 1.00 0.00 H new ATOM 669 N ALA A 42 -6.612 16.900 15.221 1.00 0.00 N ATOM 670 CA ALA A 42 -6.756 17.064 13.746 1.00 0.00 C ATOM 671 C ALA A 42 -8.218 16.856 13.338 1.00 0.00 C ATOM 672 O ALA A 42 -8.700 17.446 12.392 1.00 0.00 O ATOM 673 CB ALA A 42 -5.866 15.980 13.135 1.00 0.00 C ATOM 0 H ALA A 42 -5.877 16.258 15.517 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.468 18.060 13.408 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.919 16.036 12.048 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.836 16.131 13.457 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.209 14.999 13.465 1.00 0.00 H new ATOM 679 N THR A 43 -8.924 16.025 14.055 1.00 0.00 N ATOM 680 CA THR A 43 -10.355 15.777 13.722 1.00 0.00 C ATOM 681 C THR A 43 -11.220 16.913 14.272 1.00 0.00 C ATOM 682 O THR A 43 -12.313 17.158 13.801 1.00 0.00 O ATOM 683 CB THR A 43 -10.699 14.455 14.410 1.00 0.00 C ATOM 684 OG1 THR A 43 -9.860 13.427 13.903 1.00 0.00 O ATOM 685 CG2 THR A 43 -12.163 14.103 14.139 1.00 0.00 C ATOM 0 H THR A 43 -8.570 15.506 14.859 1.00 0.00 H new ATOM 0 HA THR A 43 -10.532 15.731 12.647 1.00 0.00 H new ATOM 0 HB THR A 43 -10.545 14.553 15.485 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.192 13.187 14.579 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.407 13.161 14.630 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.805 14.893 14.529 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.321 14.004 13.065 1.00 0.00 H new ATOM 693 N CYS A 44 -10.736 17.612 15.261 1.00 0.00 N ATOM 694 CA CYS A 44 -11.525 18.738 15.831 1.00 0.00 C ATOM 695 C CYS A 44 -11.344 19.982 14.960 1.00 0.00 C ATOM 696 O CYS A 44 -12.282 20.696 14.673 1.00 0.00 O ATOM 697 CB CYS A 44 -10.944 18.972 17.225 1.00 0.00 C ATOM 698 SG CYS A 44 -11.608 20.514 17.900 1.00 0.00 S ATOM 0 H CYS A 44 -9.829 17.452 15.698 1.00 0.00 H new ATOM 0 HA CYS A 44 -12.592 18.520 15.873 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -11.194 18.138 17.880 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -9.856 19.023 17.174 1.00 0.00 H new ATOM 703 N LYS A 45 -10.138 20.238 14.531 1.00 0.00 N ATOM 704 CA LYS A 45 -9.891 21.428 13.671 1.00 0.00 C ATOM 705 C LYS A 45 -10.820 21.386 12.456 1.00 0.00 C ATOM 706 O LYS A 45 -11.357 22.392 12.038 1.00 0.00 O ATOM 707 CB LYS A 45 -8.429 21.303 13.238 1.00 0.00 C ATOM 708 CG LYS A 45 -8.122 22.326 12.141 1.00 0.00 C ATOM 709 CD LYS A 45 -7.170 21.702 11.119 1.00 0.00 C ATOM 710 CE LYS A 45 -5.793 21.507 11.756 1.00 0.00 C ATOM 711 NZ LYS A 45 -4.935 20.980 10.657 1.00 0.00 N ATOM 0 H LYS A 45 -9.314 19.674 14.739 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.080 22.369 14.188 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.772 21.465 14.093 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.234 20.295 12.872 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.044 22.639 11.652 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.673 23.219 12.576 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.563 20.744 10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.089 22.344 10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.402 22.446 12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.839 20.808 12.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.972 20.820 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.329 20.082 10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.905 21.669 9.879 1.00 0.00 H new ATOM 725 N MET A 46 -11.017 20.228 11.887 1.00 0.00 N ATOM 726 CA MET A 46 -11.914 20.129 10.704 1.00 0.00 C ATOM 727 C MET A 46 -13.347 20.478 11.108 1.00 0.00 C ATOM 728 O MET A 46 -14.153 20.882 10.295 1.00 0.00 O ATOM 729 CB MET A 46 -11.819 18.672 10.253 1.00 0.00 C ATOM 730 CG MET A 46 -12.455 17.766 11.308 1.00 0.00 C ATOM 731 SD MET A 46 -13.892 16.926 10.596 1.00 0.00 S ATOM 732 CE MET A 46 -13.979 15.568 11.790 1.00 0.00 C ATOM 0 H MET A 46 -10.596 19.350 12.190 1.00 0.00 H new ATOM 0 HA MET A 46 -11.630 20.816 9.907 1.00 0.00 H new ATOM 0 HB2 MET A 46 -12.325 18.543 9.296 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.776 18.395 10.102 1.00 0.00 H new ATOM 0 HG2 MET A 46 -11.729 17.033 11.659 1.00 0.00 H new ATOM 0 HG3 MET A 46 -12.757 18.355 12.174 1.00 0.00 H new ATOM 0 HE1 MET A 46 -15.016 15.257 11.912 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.388 14.727 11.428 1.00 0.00 H new ATOM 0 HE3 MET A 46 -13.585 15.902 12.750 1.00 0.00 H new ATOM 742 N ILE A 47 -13.666 20.330 12.364 1.00 0.00 N ATOM 743 CA ILE A 47 -15.043 20.657 12.832 1.00 0.00 C ATOM 744 C ILE A 47 -15.331 22.138 12.581 1.00 0.00 C ATOM 745 O ILE A 47 -16.428 22.517 12.225 1.00 0.00 O ATOM 746 CB ILE A 47 -15.039 20.355 14.331 1.00 0.00 C ATOM 747 CG1 ILE A 47 -14.577 18.914 14.562 1.00 0.00 C ATOM 748 CG2 ILE A 47 -16.452 20.532 14.890 1.00 0.00 C ATOM 749 CD1 ILE A 47 -15.366 17.972 13.651 1.00 0.00 C ATOM 0 H ILE A 47 -13.031 19.996 13.089 1.00 0.00 H new ATOM 0 HA ILE A 47 -15.810 20.084 12.310 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.358 21.040 14.837 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.510 18.826 14.357 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -14.725 18.636 15.606 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -16.450 20.317 15.959 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.782 21.558 14.727 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.132 19.847 14.383 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.037 16.946 13.816 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.429 18.053 13.877 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.195 18.245 12.610 1.00 0.00 H new ATOM 761 N LEU A 48 -14.346 22.976 12.758 1.00 0.00 N ATOM 762 CA LEU A 48 -14.554 24.432 12.522 1.00 0.00 C ATOM 763 C LEU A 48 -14.684 24.697 11.022 1.00 0.00 C ATOM 764 O LEU A 48 -15.479 25.508 10.590 1.00 0.00 O ATOM 765 CB LEU A 48 -13.300 25.108 13.076 1.00 0.00 C ATOM 766 CG LEU A 48 -13.357 25.124 14.605 1.00 0.00 C ATOM 767 CD1 LEU A 48 -14.646 25.812 15.060 1.00 0.00 C ATOM 768 CD2 LEU A 48 -13.330 23.689 15.133 1.00 0.00 C ATOM 0 H LEU A 48 -13.406 22.715 13.056 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.460 24.807 12.999 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.410 24.576 12.741 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.225 26.126 12.694 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.497 25.669 14.994 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.687 25.824 16.149 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.664 26.835 14.685 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.506 25.268 14.670 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.371 23.701 16.222 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.189 23.142 14.744 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.411 23.200 14.810 1.00 0.00 H new ATOM 780 N GLU A 49 -13.909 24.014 10.225 1.00 0.00 N ATOM 781 CA GLU A 49 -13.990 24.224 8.751 1.00 0.00 C ATOM 782 C GLU A 49 -15.392 23.873 8.247 1.00 0.00 C ATOM 783 O GLU A 49 -15.835 24.359 7.226 1.00 0.00 O ATOM 784 CB GLU A 49 -12.952 23.271 8.158 1.00 0.00 C ATOM 785 CG GLU A 49 -11.563 23.641 8.682 1.00 0.00 C ATOM 786 CD GLU A 49 -10.517 22.722 8.048 1.00 0.00 C ATOM 787 OE1 GLU A 49 -10.910 21.739 7.444 1.00 0.00 O ATOM 788 OE2 GLU A 49 -9.341 23.019 8.177 1.00 0.00 O ATOM 0 H GLU A 49 -13.225 23.321 10.529 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.800 25.259 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.192 22.242 8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.969 23.329 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.339 24.681 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.535 23.547 9.768 1.00 0.00 H new ATOM 795 N LYS A 50 -16.093 23.032 8.958 1.00 0.00 N ATOM 796 CA LYS A 50 -17.467 22.651 8.522 1.00 0.00 C ATOM 797 C LYS A 50 -18.451 23.786 8.824 1.00 0.00 C ATOM 798 O LYS A 50 -19.247 24.167 7.990 1.00 0.00 O ATOM 799 CB LYS A 50 -17.814 21.408 9.343 1.00 0.00 C ATOM 800 CG LYS A 50 -17.002 20.217 8.831 1.00 0.00 C ATOM 801 CD LYS A 50 -17.728 19.577 7.647 1.00 0.00 C ATOM 802 CE LYS A 50 -16.906 18.399 7.121 1.00 0.00 C ATOM 803 NZ LYS A 50 -16.883 17.419 8.243 1.00 0.00 N ATOM 0 H LYS A 50 -15.774 22.592 9.821 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.522 22.459 7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.598 21.583 10.397 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.880 21.195 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -16.008 20.544 8.528 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.868 19.485 9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.717 19.236 7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.876 20.313 6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -17.359 17.968 6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.898 18.711 6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.784 16.457 7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.080 17.628 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.770 17.488 8.782 1.00 0.00 H new ATOM 817 N GLU A 51 -18.399 24.329 10.009 1.00 0.00 N ATOM 818 CA GLU A 51 -19.330 25.440 10.361 1.00 0.00 C ATOM 819 C GLU A 51 -19.235 26.557 9.318 1.00 0.00 C ATOM 820 O GLU A 51 -20.171 27.299 9.101 1.00 0.00 O ATOM 821 CB GLU A 51 -18.856 25.938 11.726 1.00 0.00 C ATOM 822 CG GLU A 51 -19.078 24.845 12.774 1.00 0.00 C ATOM 823 CD GLU A 51 -18.597 25.342 14.138 1.00 0.00 C ATOM 824 OE1 GLU A 51 -17.492 25.856 14.205 1.00 0.00 O ATOM 825 OE2 GLU A 51 -19.341 25.200 15.095 1.00 0.00 O ATOM 0 H GLU A 51 -17.753 24.052 10.749 1.00 0.00 H new ATOM 0 HA GLU A 51 -20.370 25.116 10.386 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.800 26.204 11.681 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.401 26.840 12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.135 24.582 12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -18.537 23.941 12.493 1.00 0.00 H new ATOM 832 N ALA A 52 -18.109 26.679 8.670 1.00 0.00 N ATOM 833 CA ALA A 52 -17.951 27.747 7.641 1.00 0.00 C ATOM 834 C ALA A 52 -18.603 27.313 6.326 1.00 0.00 C ATOM 835 O ALA A 52 -18.548 26.160 5.946 1.00 0.00 O ATOM 836 CB ALA A 52 -16.441 27.906 7.464 1.00 0.00 C ATOM 0 H ALA A 52 -17.291 26.085 8.808 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.427 28.682 7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.241 28.677 6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.992 28.194 8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.012 26.961 7.131 1.00 0.00 H new ATOM 842 N LYS A 53 -19.222 28.226 5.629 1.00 0.00 N ATOM 843 CA LYS A 53 -19.878 27.863 4.339 1.00 0.00 C ATOM 844 C LYS A 53 -18.853 27.265 3.374 1.00 0.00 C ATOM 845 O LYS A 53 -19.201 26.620 2.404 1.00 0.00 O ATOM 846 CB LYS A 53 -20.427 29.181 3.790 1.00 0.00 C ATOM 847 CG LYS A 53 -21.514 29.712 4.727 1.00 0.00 C ATOM 848 CD LYS A 53 -21.944 31.108 4.273 1.00 0.00 C ATOM 849 CE LYS A 53 -23.040 31.633 5.203 1.00 0.00 C ATOM 850 NZ LYS A 53 -23.507 32.897 4.566 1.00 0.00 N ATOM 0 H LYS A 53 -19.302 29.207 5.896 1.00 0.00 H new ATOM 0 HA LYS A 53 -20.662 27.117 4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.623 29.911 3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -20.836 29.029 2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -22.371 29.038 4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -21.140 29.750 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -21.089 31.784 4.283 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -22.310 31.072 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -23.854 30.915 5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -22.654 31.815 6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -24.261 33.319 5.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -22.712 33.563 4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -23.875 32.691 3.615 1.00 0.00 H new ATOM 864 N SER A 54 -17.590 27.471 3.631 1.00 0.00 N ATOM 865 CA SER A 54 -16.543 26.914 2.726 1.00 0.00 C ATOM 866 C SER A 54 -16.602 25.384 2.727 1.00 0.00 C ATOM 867 O SER A 54 -16.178 24.737 1.792 1.00 0.00 O ATOM 868 CB SER A 54 -15.215 27.399 3.310 1.00 0.00 C ATOM 869 OG SER A 54 -15.181 28.818 3.293 1.00 0.00 O ATOM 0 H SER A 54 -17.237 28.001 4.428 1.00 0.00 H new ATOM 0 HA SER A 54 -16.676 27.236 1.693 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.099 27.034 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.383 26.998 2.732 1.00 0.00 H new ATOM 0 HG SER A 54 -14.331 29.129 3.669 1.00 0.00 H new ATOM 875 N GLN A 55 -17.126 24.801 3.771 1.00 0.00 N ATOM 876 CA GLN A 55 -17.211 23.313 3.829 1.00 0.00 C ATOM 877 C GLN A 55 -15.867 22.691 3.438 1.00 0.00 C ATOM 878 O GLN A 55 -15.646 22.503 2.254 1.00 0.00 O ATOM 879 CB GLN A 55 -18.291 22.938 2.814 1.00 0.00 C ATOM 880 CG GLN A 55 -18.544 21.430 2.870 1.00 0.00 C ATOM 881 CD GLN A 55 -19.287 21.085 4.162 1.00 0.00 C ATOM 882 OE1 GLN A 55 -18.807 21.356 5.244 1.00 0.00 O ATOM 883 NE2 GLN A 55 -20.449 20.493 4.095 1.00 0.00 N ATOM 884 OXT GLN A 55 -15.083 22.413 4.332 1.00 0.00 O ATOM 0 H GLN A 55 -17.498 25.290 4.585 1.00 0.00 H new ATOM 0 HA GLN A 55 -17.449 22.951 4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -19.212 23.480 3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -17.978 23.228 1.811 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -19.130 21.117 2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -17.598 20.890 2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -20.853 20.265 3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -20.952 20.259 4.951 1.00 0.00 H new TER 893 GLN A 55