USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 555 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 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -2.78! C(o=-2.8!,f=-4.6!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0.112 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 148:sc= -0.333 (180deg=-1.91!) USER MOD Single : A 111 THR OG1 : rot 91:sc= 0.596 USER MOD Single : A 116 LYS NZ :NH3+ 146:sc=-0.00732 (180deg=-0.339) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 ASN : amide:sc= -0.1 K(o=-0.1,f=-2.3!) USER MOD Single : A 139 TYR OH : rot 150:sc= -0.003 USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 GLN : amide:sc= -0.65 K(o=-0.65,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 80 177.168 14.817 -8.865 1.00 0.00 N ATOM 2 CA LYS A 80 176.477 16.043 -8.369 1.00 0.00 C ATOM 3 C LYS A 80 175.304 15.655 -7.463 1.00 0.00 C ATOM 4 O LYS A 80 174.260 16.278 -7.469 1.00 0.00 O ATOM 5 CB LYS A 80 175.977 16.762 -9.631 1.00 0.00 C ATOM 6 CG LYS A 80 176.553 18.180 -9.685 1.00 0.00 C ATOM 7 CD LYS A 80 175.993 19.003 -8.524 1.00 0.00 C ATOM 8 CE LYS A 80 176.205 20.492 -8.803 1.00 0.00 C ATOM 9 NZ LYS A 80 175.580 21.192 -7.646 1.00 0.00 N ATOM 0 HA LYS A 80 177.136 16.680 -7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 80 176.274 16.205 -10.519 1.00 0.00 H new ATOM 0 HB3 LYS A 80 174.888 16.802 -9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.641 18.144 -9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 80 176.299 18.651 -10.634 1.00 0.00 H new ATOM 0 HD2 LYS A 80 174.931 18.794 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 80 176.488 18.723 -7.594 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.265 20.732 -8.884 1.00 0.00 H new ATOM 0 HE3 LYS A 80 175.739 20.788 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 175.685 22.220 -7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 174.570 20.950 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 176.049 20.895 -6.766 1.00 0.00 H new ATOM 23 N ALA A 81 175.487 14.619 -6.691 1.00 0.00 N ATOM 24 CA ALA A 81 174.415 14.143 -5.768 1.00 0.00 C ATOM 25 C ALA A 81 174.843 14.342 -4.311 1.00 0.00 C ATOM 26 O ALA A 81 176.019 14.392 -4.008 1.00 0.00 O ATOM 27 CB ALA A 81 174.286 12.650 -6.073 1.00 0.00 C ATOM 0 H ALA A 81 176.348 14.073 -6.660 1.00 0.00 H new ATOM 0 HA ALA A 81 173.479 14.684 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 81 173.516 12.214 -5.437 1.00 0.00 H new ATOM 0 HB2 ALA A 81 174.012 12.515 -7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 81 175.238 12.156 -5.880 1.00 0.00 H new ATOM 33 N LYS A 82 173.900 14.469 -3.411 1.00 0.00 N ATOM 34 CA LYS A 82 174.252 14.679 -1.978 1.00 0.00 C ATOM 35 C LYS A 82 174.065 13.393 -1.175 1.00 0.00 C ATOM 36 O LYS A 82 173.395 12.468 -1.590 1.00 0.00 O ATOM 37 CB LYS A 82 173.289 15.759 -1.488 1.00 0.00 C ATOM 38 CG LYS A 82 173.873 17.141 -1.787 1.00 0.00 C ATOM 39 CD LYS A 82 175.065 17.403 -0.863 1.00 0.00 C ATOM 40 CE LYS A 82 175.231 18.910 -0.657 1.00 0.00 C ATOM 41 NZ LYS A 82 176.583 19.069 -0.053 1.00 0.00 N ATOM 0 H LYS A 82 172.900 14.436 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 82 175.295 14.970 -1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 82 172.322 15.648 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 82 173.118 15.649 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 82 174.188 17.197 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 82 173.112 17.908 -1.643 1.00 0.00 H new ATOM 0 HD2 LYS A 82 174.910 16.909 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 82 175.973 16.982 -1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 82 175.155 19.448 -1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 82 174.456 19.307 -0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 176.770 20.078 0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 176.624 18.552 0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 177.300 18.689 -0.703 1.00 0.00 H new ATOM 55 N THR A 83 174.672 13.348 -0.013 1.00 0.00 N ATOM 56 CA THR A 83 174.559 12.135 0.862 1.00 0.00 C ATOM 57 C THR A 83 173.080 11.766 1.037 1.00 0.00 C ATOM 58 O THR A 83 172.725 10.615 1.188 1.00 0.00 O ATOM 59 CB THR A 83 175.182 12.544 2.201 1.00 0.00 C ATOM 60 OG1 THR A 83 176.445 13.151 1.965 1.00 0.00 O ATOM 61 CG2 THR A 83 175.367 11.311 3.092 1.00 0.00 C ATOM 0 H THR A 83 175.243 14.102 0.369 1.00 0.00 H new ATOM 0 HA THR A 83 175.061 11.264 0.440 1.00 0.00 H new ATOM 0 HB THR A 83 174.521 13.250 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 83 176.846 13.415 2.819 1.00 0.00 H new ATOM 0 HG21 THR A 83 175.810 11.611 4.041 1.00 0.00 H new ATOM 0 HG22 THR A 83 174.398 10.846 3.275 1.00 0.00 H new ATOM 0 HG23 THR A 83 176.024 10.598 2.594 1.00 0.00 H new ATOM 69 N GLU A 84 172.223 12.754 1.004 1.00 0.00 N ATOM 70 CA GLU A 84 170.753 12.509 1.153 1.00 0.00 C ATOM 71 C GLU A 84 170.265 11.448 0.159 1.00 0.00 C ATOM 72 O GLU A 84 169.425 10.628 0.479 1.00 0.00 O ATOM 73 CB GLU A 84 170.104 13.857 0.832 1.00 0.00 C ATOM 74 CG GLU A 84 170.384 14.843 1.967 1.00 0.00 C ATOM 75 CD GLU A 84 169.580 16.126 1.739 1.00 0.00 C ATOM 76 OE1 GLU A 84 170.017 16.942 0.945 1.00 0.00 O ATOM 77 OE2 GLU A 84 168.542 16.270 2.364 1.00 0.00 O ATOM 0 H GLU A 84 172.481 13.733 0.879 1.00 0.00 H new ATOM 0 HA GLU A 84 170.504 12.142 2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 84 170.496 14.247 -0.107 1.00 0.00 H new ATOM 0 HB3 GLU A 84 169.029 13.733 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 84 170.114 14.398 2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 84 171.449 15.071 2.010 1.00 0.00 H new ATOM 84 N ASP A 85 170.789 11.462 -1.041 1.00 0.00 N ATOM 85 CA ASP A 85 170.357 10.453 -2.059 1.00 0.00 C ATOM 86 C ASP A 85 170.670 9.040 -1.557 1.00 0.00 C ATOM 87 O ASP A 85 169.825 8.165 -1.564 1.00 0.00 O ATOM 88 CB ASP A 85 171.174 10.771 -3.314 1.00 0.00 C ATOM 89 CG ASP A 85 170.508 10.130 -4.533 1.00 0.00 C ATOM 90 OD1 ASP A 85 170.546 8.915 -4.633 1.00 0.00 O ATOM 91 OD2 ASP A 85 169.973 10.865 -5.346 1.00 0.00 O ATOM 0 H ASP A 85 171.495 12.126 -1.360 1.00 0.00 H new ATOM 0 HA ASP A 85 169.286 10.495 -2.255 1.00 0.00 H new ATOM 0 HB2 ASP A 85 171.245 11.850 -3.451 1.00 0.00 H new ATOM 0 HB3 ASP A 85 172.191 10.396 -3.203 1.00 0.00 H new ATOM 96 N PHE A 86 171.881 8.823 -1.120 1.00 0.00 N ATOM 97 CA PHE A 86 172.274 7.476 -0.607 1.00 0.00 C ATOM 98 C PHE A 86 171.670 7.218 0.777 1.00 0.00 C ATOM 99 O PHE A 86 171.280 6.108 1.088 1.00 0.00 O ATOM 100 CB PHE A 86 173.805 7.506 -0.519 1.00 0.00 C ATOM 101 CG PHE A 86 174.403 6.953 -1.796 1.00 0.00 C ATOM 102 CD1 PHE A 86 174.009 5.693 -2.263 1.00 0.00 C ATOM 103 CD2 PHE A 86 175.346 7.701 -2.515 1.00 0.00 C ATOM 104 CE1 PHE A 86 174.556 5.180 -3.445 1.00 0.00 C ATOM 105 CE2 PHE A 86 175.890 7.189 -3.699 1.00 0.00 C ATOM 106 CZ PHE A 86 175.495 5.928 -4.164 1.00 0.00 C ATOM 0 H PHE A 86 172.621 9.525 -1.096 1.00 0.00 H new ATOM 0 HA PHE A 86 171.914 6.681 -1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 86 174.149 8.528 -0.358 1.00 0.00 H new ATOM 0 HB3 PHE A 86 174.141 6.918 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 86 173.282 5.116 -1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 86 175.653 8.672 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 86 174.253 4.207 -3.802 1.00 0.00 H new ATOM 0 HE2 PHE A 86 176.614 7.766 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 86 175.915 5.533 -5.077 1.00 0.00 H new ATOM 116 N VAL A 87 171.616 8.219 1.622 1.00 0.00 N ATOM 117 CA VAL A 87 171.067 8.009 3.000 1.00 0.00 C ATOM 118 C VAL A 87 169.582 7.622 2.939 1.00 0.00 C ATOM 119 O VAL A 87 169.150 6.680 3.574 1.00 0.00 O ATOM 120 CB VAL A 87 171.246 9.359 3.710 1.00 0.00 C ATOM 121 CG1 VAL A 87 170.684 9.281 5.133 1.00 0.00 C ATOM 122 CG2 VAL A 87 172.739 9.702 3.774 1.00 0.00 C ATOM 0 H VAL A 87 171.927 9.169 1.419 1.00 0.00 H new ATOM 0 HA VAL A 87 171.577 7.201 3.524 1.00 0.00 H new ATOM 0 HB VAL A 87 170.711 10.130 3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 87 170.815 10.243 5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 87 169.623 9.035 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 87 171.214 8.509 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 87 172.871 10.660 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 87 173.267 8.926 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 87 173.142 9.765 2.763 1.00 0.00 H new ATOM 132 N LYS A 88 168.802 8.361 2.190 1.00 0.00 N ATOM 133 CA LYS A 88 167.336 8.067 2.092 1.00 0.00 C ATOM 134 C LYS A 88 167.094 6.660 1.541 1.00 0.00 C ATOM 135 O LYS A 88 166.162 5.984 1.928 1.00 0.00 O ATOM 136 CB LYS A 88 166.782 9.118 1.127 1.00 0.00 C ATOM 137 CG LYS A 88 165.257 9.001 1.058 1.00 0.00 C ATOM 138 CD LYS A 88 164.723 9.913 -0.049 1.00 0.00 C ATOM 139 CE LYS A 88 164.984 11.376 0.318 1.00 0.00 C ATOM 140 NZ LYS A 88 164.592 12.153 -0.890 1.00 0.00 N ATOM 0 H LYS A 88 169.118 9.159 1.639 1.00 0.00 H new ATOM 0 HA LYS A 88 166.852 8.106 3.068 1.00 0.00 H new ATOM 0 HB2 LYS A 88 167.065 10.117 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 88 167.213 8.978 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 88 164.970 7.968 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 88 164.817 9.278 2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 88 165.207 9.674 -0.996 1.00 0.00 H new ATOM 0 HD3 LYS A 88 163.654 9.747 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 88 164.398 11.675 1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 88 166.032 11.539 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 164.743 13.167 -0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 165.171 11.852 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 163.588 11.984 -1.101 1.00 0.00 H new ATOM 154 N ALA A 89 167.922 6.225 0.631 1.00 0.00 N ATOM 155 CA ALA A 89 167.744 4.866 0.031 1.00 0.00 C ATOM 156 C ALA A 89 167.818 3.773 1.101 1.00 0.00 C ATOM 157 O ALA A 89 166.946 2.929 1.187 1.00 0.00 O ATOM 158 CB ALA A 89 168.895 4.714 -0.963 1.00 0.00 C ATOM 0 H ALA A 89 168.719 6.753 0.274 1.00 0.00 H new ATOM 0 HA ALA A 89 166.769 4.765 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 89 168.833 3.739 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 89 168.829 5.497 -1.718 1.00 0.00 H new ATOM 0 HB3 ALA A 89 169.845 4.798 -0.435 1.00 0.00 H new ATOM 164 N PHE A 90 168.853 3.767 1.901 1.00 0.00 N ATOM 165 CA PHE A 90 168.979 2.707 2.948 1.00 0.00 C ATOM 166 C PHE A 90 168.056 2.991 4.141 1.00 0.00 C ATOM 167 O PHE A 90 167.309 2.135 4.575 1.00 0.00 O ATOM 168 CB PHE A 90 170.446 2.752 3.383 1.00 0.00 C ATOM 169 CG PHE A 90 171.300 2.047 2.357 1.00 0.00 C ATOM 170 CD1 PHE A 90 171.834 2.760 1.275 1.00 0.00 C ATOM 171 CD2 PHE A 90 171.559 0.678 2.488 1.00 0.00 C ATOM 172 CE1 PHE A 90 172.626 2.103 0.326 1.00 0.00 C ATOM 173 CE2 PHE A 90 172.352 0.022 1.539 1.00 0.00 C ATOM 174 CZ PHE A 90 172.886 0.734 0.459 1.00 0.00 C ATOM 0 H PHE A 90 169.613 4.446 1.876 1.00 0.00 H new ATOM 0 HA PHE A 90 168.690 1.728 2.565 1.00 0.00 H new ATOM 0 HB2 PHE A 90 170.772 3.786 3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 90 170.562 2.276 4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 90 171.634 3.817 1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 90 171.147 0.128 3.321 1.00 0.00 H new ATOM 0 HE1 PHE A 90 173.036 2.652 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 90 172.552 -1.034 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 90 173.499 0.227 -0.272 1.00 0.00 H new ATOM 184 N GLN A 91 168.151 4.168 4.706 1.00 0.00 N ATOM 185 CA GLN A 91 167.336 4.504 5.920 1.00 0.00 C ATOM 186 C GLN A 91 165.850 4.149 5.763 1.00 0.00 C ATOM 187 O GLN A 91 165.234 3.691 6.709 1.00 0.00 O ATOM 188 CB GLN A 91 167.506 6.012 6.113 1.00 0.00 C ATOM 189 CG GLN A 91 168.849 6.293 6.789 1.00 0.00 C ATOM 190 CD GLN A 91 168.880 7.741 7.281 1.00 0.00 C ATOM 191 OE1 GLN A 91 168.346 8.624 6.640 1.00 0.00 O ATOM 192 NE2 GLN A 91 169.487 8.024 8.400 1.00 0.00 N ATOM 0 H GLN A 91 168.761 4.917 4.379 1.00 0.00 H new ATOM 0 HA GLN A 91 167.678 3.924 6.777 1.00 0.00 H new ATOM 0 HB2 GLN A 91 167.459 6.520 5.150 1.00 0.00 H new ATOM 0 HB3 GLN A 91 166.692 6.405 6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 91 168.997 5.610 7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 91 169.665 6.119 6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 91 169.935 7.283 8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 91 169.513 8.986 8.737 1.00 0.00 H new ATOM 201 N VAL A 92 165.252 4.345 4.606 1.00 0.00 N ATOM 202 CA VAL A 92 163.797 3.993 4.467 1.00 0.00 C ATOM 203 C VAL A 92 163.607 2.497 4.773 1.00 0.00 C ATOM 204 O VAL A 92 162.594 2.080 5.300 1.00 0.00 O ATOM 205 CB VAL A 92 163.420 4.330 3.019 1.00 0.00 C ATOM 206 CG1 VAL A 92 161.965 3.928 2.753 1.00 0.00 C ATOM 207 CG2 VAL A 92 163.573 5.834 2.794 1.00 0.00 C ATOM 0 H VAL A 92 165.696 4.725 3.770 1.00 0.00 H new ATOM 0 HA VAL A 92 163.161 4.544 5.160 1.00 0.00 H new ATOM 0 HB VAL A 92 164.076 3.784 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 92 161.703 4.170 1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 92 161.848 2.856 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 92 161.308 4.471 3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 92 163.306 6.077 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 92 162.916 6.373 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 92 164.607 6.126 2.979 1.00 0.00 H new ATOM 217 N PHE A 93 164.606 1.704 4.475 1.00 0.00 N ATOM 218 CA PHE A 93 164.538 0.241 4.774 1.00 0.00 C ATOM 219 C PHE A 93 165.186 -0.031 6.143 1.00 0.00 C ATOM 220 O PHE A 93 165.617 -1.134 6.421 1.00 0.00 O ATOM 221 CB PHE A 93 165.333 -0.436 3.655 1.00 0.00 C ATOM 222 CG PHE A 93 164.383 -0.943 2.595 1.00 0.00 C ATOM 223 CD1 PHE A 93 163.805 -2.212 2.725 1.00 0.00 C ATOM 224 CD2 PHE A 93 164.080 -0.146 1.485 1.00 0.00 C ATOM 225 CE1 PHE A 93 162.923 -2.683 1.745 1.00 0.00 C ATOM 226 CE2 PHE A 93 163.198 -0.618 0.505 1.00 0.00 C ATOM 227 CZ PHE A 93 162.620 -1.886 0.634 1.00 0.00 C ATOM 0 H PHE A 93 165.473 2.011 4.034 1.00 0.00 H new ATOM 0 HA PHE A 93 163.515 -0.132 4.817 1.00 0.00 H new ATOM 0 HB2 PHE A 93 166.039 0.270 3.218 1.00 0.00 H new ATOM 0 HB3 PHE A 93 165.918 -1.262 4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 93 164.040 -2.827 3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 93 164.526 0.832 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 93 162.476 -3.661 1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 93 162.964 -0.003 -0.351 1.00 0.00 H new ATOM 0 HZ PHE A 93 161.941 -2.250 -0.123 1.00 0.00 H new ATOM 237 N ASP A 94 165.241 0.959 7.001 1.00 0.00 N ATOM 238 CA ASP A 94 165.839 0.765 8.356 1.00 0.00 C ATOM 239 C ASP A 94 164.892 1.334 9.416 1.00 0.00 C ATOM 240 O ASP A 94 165.094 2.417 9.932 1.00 0.00 O ATOM 241 CB ASP A 94 167.159 1.538 8.331 1.00 0.00 C ATOM 242 CG ASP A 94 168.062 1.048 9.464 1.00 0.00 C ATOM 243 OD1 ASP A 94 167.535 0.701 10.509 1.00 0.00 O ATOM 244 OD2 ASP A 94 169.266 1.026 9.268 1.00 0.00 O ATOM 0 H ASP A 94 164.894 1.900 6.817 1.00 0.00 H new ATOM 0 HA ASP A 94 166.002 -0.285 8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 94 167.655 1.399 7.371 1.00 0.00 H new ATOM 0 HB3 ASP A 94 166.969 2.606 8.440 1.00 0.00 H new ATOM 249 N LYS A 95 163.855 0.603 9.733 1.00 0.00 N ATOM 250 CA LYS A 95 162.865 1.077 10.751 1.00 0.00 C ATOM 251 C LYS A 95 163.465 1.060 12.165 1.00 0.00 C ATOM 252 O LYS A 95 162.880 1.593 13.090 1.00 0.00 O ATOM 253 CB LYS A 95 161.694 0.094 10.662 1.00 0.00 C ATOM 254 CG LYS A 95 161.102 0.126 9.251 1.00 0.00 C ATOM 255 CD LYS A 95 159.604 -0.174 9.317 1.00 0.00 C ATOM 256 CE LYS A 95 159.035 -0.254 7.899 1.00 0.00 C ATOM 257 NZ LYS A 95 157.557 -0.197 8.074 1.00 0.00 N ATOM 0 H LYS A 95 163.648 -0.310 9.328 1.00 0.00 H new ATOM 0 HA LYS A 95 162.560 2.105 10.558 1.00 0.00 H new ATOM 0 HB2 LYS A 95 162.033 -0.914 10.902 1.00 0.00 H new ATOM 0 HB3 LYS A 95 160.930 0.356 11.394 1.00 0.00 H new ATOM 0 HG2 LYS A 95 161.268 1.103 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 95 161.603 -0.607 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 95 159.434 -1.114 9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 95 159.091 0.604 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 95 159.392 0.572 7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 95 159.339 -1.176 7.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 157.095 -0.247 7.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 157.245 -0.999 8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 157.297 0.694 8.542 1.00 0.00 H new ATOM 271 N GLU A 96 164.622 0.465 12.346 1.00 0.00 N ATOM 272 CA GLU A 96 165.241 0.436 13.707 1.00 0.00 C ATOM 273 C GLU A 96 166.570 1.207 13.723 1.00 0.00 C ATOM 274 O GLU A 96 167.305 1.151 14.689 1.00 0.00 O ATOM 275 CB GLU A 96 165.469 -1.044 14.014 1.00 0.00 C ATOM 276 CG GLU A 96 164.142 -1.693 14.413 1.00 0.00 C ATOM 277 CD GLU A 96 163.693 -1.145 15.769 1.00 0.00 C ATOM 278 OE1 GLU A 96 164.552 -0.876 16.593 1.00 0.00 O ATOM 279 OE2 GLU A 96 162.496 -1.003 15.961 1.00 0.00 O ATOM 0 H GLU A 96 165.160 0.002 11.614 1.00 0.00 H new ATOM 0 HA GLU A 96 164.602 0.912 14.451 1.00 0.00 H new ATOM 0 HB2 GLU A 96 165.884 -1.548 13.141 1.00 0.00 H new ATOM 0 HB3 GLU A 96 166.195 -1.152 14.820 1.00 0.00 H new ATOM 0 HG2 GLU A 96 163.384 -1.489 13.657 1.00 0.00 H new ATOM 0 HG3 GLU A 96 164.256 -2.776 14.466 1.00 0.00 H new ATOM 286 N SER A 97 166.860 1.956 12.679 1.00 0.00 N ATOM 287 CA SER A 97 168.114 2.783 12.609 1.00 0.00 C ATOM 288 C SER A 97 169.345 2.107 13.233 1.00 0.00 C ATOM 289 O SER A 97 170.159 2.766 13.854 1.00 0.00 O ATOM 290 CB SER A 97 167.776 4.068 13.363 1.00 0.00 C ATOM 291 OG SER A 97 166.488 4.519 12.968 1.00 0.00 O ATOM 0 H SER A 97 166.265 2.030 11.854 1.00 0.00 H new ATOM 0 HA SER A 97 168.394 2.947 11.568 1.00 0.00 H new ATOM 0 HB2 SER A 97 167.797 3.889 14.438 1.00 0.00 H new ATOM 0 HB3 SER A 97 168.523 4.834 13.153 1.00 0.00 H new ATOM 0 HG SER A 97 166.267 5.342 13.451 1.00 0.00 H new ATOM 297 N THR A 98 169.494 0.813 13.078 1.00 0.00 N ATOM 298 CA THR A 98 170.686 0.135 13.678 1.00 0.00 C ATOM 299 C THR A 98 171.962 0.670 13.019 1.00 0.00 C ATOM 300 O THR A 98 172.991 0.805 13.655 1.00 0.00 O ATOM 301 CB THR A 98 170.510 -1.358 13.381 1.00 0.00 C ATOM 302 OG1 THR A 98 170.484 -1.564 11.973 1.00 0.00 O ATOM 303 CG2 THR A 98 169.202 -1.858 14.002 1.00 0.00 C ATOM 0 H THR A 98 168.852 0.205 12.570 1.00 0.00 H new ATOM 0 HA THR A 98 170.768 0.315 14.750 1.00 0.00 H new ATOM 0 HB THR A 98 171.344 -1.912 13.811 1.00 0.00 H new ATOM 0 HG1 THR A 98 170.373 -2.519 11.784 1.00 0.00 H new ATOM 0 HG21 THR A 98 169.081 -2.920 13.789 1.00 0.00 H new ATOM 0 HG22 THR A 98 169.230 -1.706 15.081 1.00 0.00 H new ATOM 0 HG23 THR A 98 168.364 -1.305 13.579 1.00 0.00 H new ATOM 311 N GLY A 99 171.890 0.983 11.752 1.00 0.00 N ATOM 312 CA GLY A 99 173.085 1.521 11.036 1.00 0.00 C ATOM 313 C GLY A 99 173.865 0.385 10.361 1.00 0.00 C ATOM 314 O GLY A 99 175.001 0.565 9.964 1.00 0.00 O ATOM 0 H GLY A 99 171.051 0.889 11.179 1.00 0.00 H new ATOM 0 HA2 GLY A 99 172.771 2.249 10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 99 173.732 2.046 11.739 1.00 0.00 H new ATOM 318 N LYS A 100 173.275 -0.782 10.229 1.00 0.00 N ATOM 319 CA LYS A 100 173.998 -1.918 9.581 1.00 0.00 C ATOM 320 C LYS A 100 173.095 -2.612 8.557 1.00 0.00 C ATOM 321 O LYS A 100 171.883 -2.554 8.651 1.00 0.00 O ATOM 322 CB LYS A 100 174.328 -2.872 10.727 1.00 0.00 C ATOM 323 CG LYS A 100 175.399 -2.242 11.619 1.00 0.00 C ATOM 324 CD LYS A 100 176.004 -3.318 12.522 1.00 0.00 C ATOM 325 CE LYS A 100 177.108 -2.702 13.387 1.00 0.00 C ATOM 326 NZ LYS A 100 178.200 -3.715 13.394 1.00 0.00 N ATOM 0 H LYS A 100 172.327 -0.993 10.542 1.00 0.00 H new ATOM 0 HA LYS A 100 174.888 -1.588 9.046 1.00 0.00 H new ATOM 0 HB2 LYS A 100 173.431 -3.082 11.310 1.00 0.00 H new ATOM 0 HB3 LYS A 100 174.682 -3.824 10.332 1.00 0.00 H new ATOM 0 HG2 LYS A 100 176.177 -1.786 11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 100 174.963 -1.447 12.224 1.00 0.00 H new ATOM 0 HD2 LYS A 100 175.231 -3.752 13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 100 176.411 -4.128 11.917 1.00 0.00 H new ATOM 0 HE2 LYS A 100 177.451 -1.754 12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 100 176.751 -2.499 14.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 178.994 -3.365 13.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 177.846 -4.605 13.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 178.524 -3.883 12.420 1.00 0.00 H new ATOM 340 N VAL A 101 173.673 -3.284 7.592 1.00 0.00 N ATOM 341 CA VAL A 101 172.844 -4.003 6.573 1.00 0.00 C ATOM 342 C VAL A 101 173.618 -5.210 6.037 1.00 0.00 C ATOM 343 O VAL A 101 174.828 -5.274 6.139 1.00 0.00 O ATOM 344 CB VAL A 101 172.569 -2.988 5.455 1.00 0.00 C ATOM 345 CG1 VAL A 101 171.732 -1.833 6.005 1.00 0.00 C ATOM 346 CG2 VAL A 101 173.894 -2.444 4.910 1.00 0.00 C ATOM 0 H VAL A 101 174.682 -3.366 7.465 1.00 0.00 H new ATOM 0 HA VAL A 101 171.911 -4.377 6.995 1.00 0.00 H new ATOM 0 HB VAL A 101 172.024 -3.481 4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 101 171.538 -1.113 5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 101 170.786 -2.218 6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 101 172.275 -1.343 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 101 173.693 -1.724 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 101 174.444 -1.954 5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 101 174.489 -3.266 4.512 1.00 0.00 H new ATOM 356 N SER A 102 172.929 -6.161 5.460 1.00 0.00 N ATOM 357 CA SER A 102 173.618 -7.364 4.905 1.00 0.00 C ATOM 358 C SER A 102 174.162 -7.055 3.510 1.00 0.00 C ATOM 359 O SER A 102 173.562 -6.314 2.754 1.00 0.00 O ATOM 360 CB SER A 102 172.535 -8.440 4.828 1.00 0.00 C ATOM 361 OG SER A 102 171.347 -7.874 4.292 1.00 0.00 O ATOM 0 H SER A 102 171.915 -6.156 5.349 1.00 0.00 H new ATOM 0 HA SER A 102 174.462 -7.679 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 102 172.872 -9.267 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 102 172.341 -8.849 5.820 1.00 0.00 H new ATOM 0 HG SER A 102 170.651 -8.562 4.240 1.00 0.00 H new ATOM 367 N VAL A 103 175.296 -7.612 3.166 1.00 0.00 N ATOM 368 CA VAL A 103 175.891 -7.346 1.818 1.00 0.00 C ATOM 369 C VAL A 103 174.907 -7.732 0.703 1.00 0.00 C ATOM 370 O VAL A 103 174.795 -7.044 -0.295 1.00 0.00 O ATOM 371 CB VAL A 103 177.157 -8.214 1.756 1.00 0.00 C ATOM 372 CG1 VAL A 103 176.787 -9.694 1.899 1.00 0.00 C ATOM 373 CG2 VAL A 103 177.869 -7.995 0.417 1.00 0.00 C ATOM 0 H VAL A 103 175.837 -8.240 3.760 1.00 0.00 H new ATOM 0 HA VAL A 103 176.118 -6.290 1.675 1.00 0.00 H new ATOM 0 HB VAL A 103 177.820 -7.929 2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 103 177.691 -10.301 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 103 176.290 -9.854 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 103 176.116 -9.981 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 103 178.766 -8.612 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 103 177.202 -8.271 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 103 178.146 -6.945 0.320 1.00 0.00 H new ATOM 383 N GLY A 104 174.202 -8.828 0.857 1.00 0.00 N ATOM 384 CA GLY A 104 173.237 -9.261 -0.199 1.00 0.00 C ATOM 385 C GLY A 104 172.183 -8.177 -0.436 1.00 0.00 C ATOM 386 O GLY A 104 171.821 -7.889 -1.561 1.00 0.00 O ATOM 0 H GLY A 104 174.255 -9.441 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 104 173.771 -9.467 -1.127 1.00 0.00 H new ATOM 0 HA3 GLY A 104 172.752 -10.189 0.102 1.00 0.00 H new ATOM 390 N ASP A 105 171.690 -7.574 0.618 1.00 0.00 N ATOM 391 CA ASP A 105 170.660 -6.502 0.463 1.00 0.00 C ATOM 392 C ASP A 105 171.323 -5.180 0.084 1.00 0.00 C ATOM 393 O ASP A 105 170.841 -4.454 -0.766 1.00 0.00 O ATOM 394 CB ASP A 105 169.986 -6.391 1.831 1.00 0.00 C ATOM 395 CG ASP A 105 168.747 -5.500 1.720 1.00 0.00 C ATOM 396 OD1 ASP A 105 168.915 -4.310 1.510 1.00 0.00 O ATOM 397 OD2 ASP A 105 167.653 -6.023 1.847 1.00 0.00 O ATOM 0 H ASP A 105 171.958 -7.779 1.581 1.00 0.00 H new ATOM 0 HA ASP A 105 169.943 -6.734 -0.325 1.00 0.00 H new ATOM 0 HB2 ASP A 105 169.704 -7.381 2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 105 170.683 -5.974 2.558 1.00 0.00 H new ATOM 402 N LEU A 106 172.425 -4.861 0.715 1.00 0.00 N ATOM 403 CA LEU A 106 173.128 -3.579 0.403 1.00 0.00 C ATOM 404 C LEU A 106 173.539 -3.556 -1.071 1.00 0.00 C ATOM 405 O LEU A 106 173.286 -2.598 -1.777 1.00 0.00 O ATOM 406 CB LEU A 106 174.364 -3.566 1.308 1.00 0.00 C ATOM 407 CG LEU A 106 175.144 -2.266 1.095 1.00 0.00 C ATOM 408 CD1 LEU A 106 175.906 -1.912 2.374 1.00 0.00 C ATOM 409 CD2 LEU A 106 176.136 -2.450 -0.056 1.00 0.00 C ATOM 0 H LEU A 106 172.869 -5.433 1.433 1.00 0.00 H new ATOM 0 HA LEU A 106 172.496 -2.708 0.574 1.00 0.00 H new ATOM 0 HB2 LEU A 106 174.063 -3.655 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 106 174.999 -4.423 1.085 1.00 0.00 H new ATOM 0 HG LEU A 106 174.450 -1.461 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 106 176.461 -0.986 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 106 175.200 -1.781 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 106 176.600 -2.716 2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 106 176.692 -1.525 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 106 176.830 -3.255 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 106 175.593 -2.702 -0.967 1.00 0.00 H new ATOM 421 N ARG A 107 174.175 -4.602 -1.538 1.00 0.00 N ATOM 422 CA ARG A 107 174.609 -4.636 -2.967 1.00 0.00 C ATOM 423 C ARG A 107 173.390 -4.636 -3.891 1.00 0.00 C ATOM 424 O ARG A 107 173.424 -4.088 -4.977 1.00 0.00 O ATOM 425 CB ARG A 107 175.413 -5.931 -3.123 1.00 0.00 C ATOM 426 CG ARG A 107 176.186 -5.903 -4.445 1.00 0.00 C ATOM 427 CD ARG A 107 176.644 -7.322 -4.798 1.00 0.00 C ATOM 428 NE ARG A 107 177.204 -7.218 -6.175 1.00 0.00 N ATOM 429 CZ ARG A 107 177.349 -8.292 -6.903 1.00 0.00 C ATOM 430 NH1 ARG A 107 178.332 -9.116 -6.662 1.00 0.00 N ATOM 431 NH2 ARG A 107 176.510 -8.543 -7.871 1.00 0.00 N ATOM 0 H ARG A 107 174.411 -5.431 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 107 175.206 -3.764 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 107 176.105 -6.043 -2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 107 174.744 -6.791 -3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 107 175.555 -5.505 -5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 107 177.048 -5.241 -4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 107 177.394 -7.681 -4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 107 175.812 -8.025 -4.763 1.00 0.00 H new ATOM 0 HE ARG A 107 177.474 -6.308 -6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 107 178.987 -8.921 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 107 178.445 -9.955 -7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 107 175.741 -7.900 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 107 176.624 -9.382 -8.440 1.00 0.00 H new ATOM 445 N TYR A 108 172.312 -5.260 -3.468 1.00 0.00 N ATOM 446 CA TYR A 108 171.093 -5.307 -4.332 1.00 0.00 C ATOM 447 C TYR A 108 170.492 -3.908 -4.480 1.00 0.00 C ATOM 448 O TYR A 108 170.189 -3.472 -5.575 1.00 0.00 O ATOM 449 CB TYR A 108 170.122 -6.248 -3.616 1.00 0.00 C ATOM 450 CG TYR A 108 168.923 -6.503 -4.499 1.00 0.00 C ATOM 451 CD1 TYR A 108 169.053 -7.298 -5.643 1.00 0.00 C ATOM 452 CD2 TYR A 108 167.681 -5.946 -4.171 1.00 0.00 C ATOM 453 CE1 TYR A 108 167.942 -7.536 -6.461 1.00 0.00 C ATOM 454 CE2 TYR A 108 166.570 -6.184 -4.989 1.00 0.00 C ATOM 455 CZ TYR A 108 166.700 -6.979 -6.134 1.00 0.00 C ATOM 456 OH TYR A 108 165.604 -7.214 -6.939 1.00 0.00 O ATOM 0 H TYR A 108 172.227 -5.734 -2.569 1.00 0.00 H new ATOM 0 HA TYR A 108 171.318 -5.658 -5.339 1.00 0.00 H new ATOM 0 HB2 TYR A 108 170.619 -7.189 -3.379 1.00 0.00 H new ATOM 0 HB3 TYR A 108 169.804 -5.809 -2.671 1.00 0.00 H new ATOM 0 HD1 TYR A 108 170.011 -7.728 -5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 108 167.580 -5.333 -3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 108 168.043 -8.149 -7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 108 165.612 -5.754 -4.737 1.00 0.00 H new ATOM 0 HH TYR A 108 164.821 -6.755 -6.568 1.00 0.00 H new ATOM 466 N MET A 109 170.307 -3.206 -3.386 1.00 0.00 N ATOM 467 CA MET A 109 169.715 -1.840 -3.470 1.00 0.00 C ATOM 468 C MET A 109 170.704 -0.869 -4.084 1.00 0.00 C ATOM 469 O MET A 109 170.321 0.037 -4.800 1.00 0.00 O ATOM 470 CB MET A 109 169.420 -1.441 -2.030 1.00 0.00 C ATOM 471 CG MET A 109 167.965 -1.782 -1.691 1.00 0.00 C ATOM 472 SD MET A 109 167.058 -0.275 -1.238 1.00 0.00 S ATOM 473 CE MET A 109 167.456 0.699 -2.719 1.00 0.00 C ATOM 0 H MET A 109 170.540 -3.522 -2.445 1.00 0.00 H new ATOM 0 HA MET A 109 168.821 -1.826 -4.093 1.00 0.00 H new ATOM 0 HB2 MET A 109 170.094 -1.964 -1.352 1.00 0.00 H new ATOM 0 HB3 MET A 109 169.595 -0.374 -1.894 1.00 0.00 H new ATOM 0 HG2 MET A 109 167.487 -2.260 -2.546 1.00 0.00 H new ATOM 0 HG3 MET A 109 167.933 -2.496 -0.868 1.00 0.00 H new ATOM 0 HE1 MET A 109 166.626 1.368 -2.949 1.00 0.00 H new ATOM 0 HE2 MET A 109 168.356 1.287 -2.537 1.00 0.00 H new ATOM 0 HE3 MET A 109 167.625 0.028 -3.561 1.00 0.00 H new ATOM 483 N LEU A 110 171.975 -1.038 -3.818 1.00 0.00 N ATOM 484 CA LEU A 110 172.989 -0.103 -4.400 1.00 0.00 C ATOM 485 C LEU A 110 172.822 -0.066 -5.920 1.00 0.00 C ATOM 486 O LEU A 110 172.797 0.987 -6.524 1.00 0.00 O ATOM 487 CB LEU A 110 174.343 -0.711 -4.012 1.00 0.00 C ATOM 488 CG LEU A 110 175.481 0.198 -4.473 1.00 0.00 C ATOM 489 CD1 LEU A 110 175.514 1.459 -3.606 1.00 0.00 C ATOM 490 CD2 LEU A 110 176.812 -0.547 -4.334 1.00 0.00 C ATOM 0 H LEU A 110 172.354 -1.778 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 110 172.890 0.921 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 110 174.392 -0.848 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 110 174.450 -1.697 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 110 175.323 0.478 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 110 176.326 2.106 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 110 174.566 1.990 -3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 110 175.673 1.180 -2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 110 177.626 0.099 -4.662 1.00 0.00 H new ATOM 0 HD22 LEU A 110 176.967 -0.824 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 110 176.792 -1.446 -4.950 1.00 0.00 H new ATOM 502 N THR A 111 172.674 -1.215 -6.529 1.00 0.00 N ATOM 503 CA THR A 111 172.486 -1.266 -8.014 1.00 0.00 C ATOM 504 C THR A 111 171.175 -0.575 -8.422 1.00 0.00 C ATOM 505 O THR A 111 170.995 -0.180 -9.558 1.00 0.00 O ATOM 506 CB THR A 111 172.418 -2.758 -8.355 1.00 0.00 C ATOM 507 OG1 THR A 111 173.557 -3.416 -7.817 1.00 0.00 O ATOM 508 CG2 THR A 111 172.391 -2.936 -9.874 1.00 0.00 C ATOM 0 H THR A 111 172.675 -2.122 -6.063 1.00 0.00 H new ATOM 0 HA THR A 111 173.292 -0.754 -8.540 1.00 0.00 H new ATOM 0 HB THR A 111 171.513 -3.189 -7.927 1.00 0.00 H new ATOM 0 HG1 THR A 111 173.354 -3.736 -6.913 1.00 0.00 H new ATOM 0 HG21 THR A 111 172.343 -3.998 -10.115 1.00 0.00 H new ATOM 0 HG22 THR A 111 171.517 -2.431 -10.284 1.00 0.00 H new ATOM 0 HG23 THR A 111 173.295 -2.506 -10.307 1.00 0.00 H new ATOM 516 N GLY A 112 170.273 -0.409 -7.489 1.00 0.00 N ATOM 517 CA GLY A 112 168.979 0.274 -7.775 1.00 0.00 C ATOM 518 C GLY A 112 169.123 1.793 -7.596 1.00 0.00 C ATOM 519 O GLY A 112 168.257 2.556 -7.977 1.00 0.00 O ATOM 0 H GLY A 112 170.382 -0.724 -6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 112 168.660 0.050 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 112 168.205 -0.105 -7.108 1.00 0.00 H new ATOM 523 N LEU A 113 170.186 2.226 -6.965 1.00 0.00 N ATOM 524 CA LEU A 113 170.384 3.679 -6.684 1.00 0.00 C ATOM 525 C LEU A 113 171.227 4.383 -7.765 1.00 0.00 C ATOM 526 O LEU A 113 171.611 5.525 -7.593 1.00 0.00 O ATOM 527 CB LEU A 113 171.139 3.693 -5.350 1.00 0.00 C ATOM 528 CG LEU A 113 170.497 4.697 -4.396 1.00 0.00 C ATOM 529 CD1 LEU A 113 171.083 4.509 -2.999 1.00 0.00 C ATOM 530 CD2 LEU A 113 170.783 6.117 -4.882 1.00 0.00 C ATOM 0 H LEU A 113 170.936 1.623 -6.628 1.00 0.00 H new ATOM 0 HA LEU A 113 169.433 4.211 -6.664 1.00 0.00 H new ATOM 0 HB2 LEU A 113 171.127 2.698 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 113 172.184 3.955 -5.517 1.00 0.00 H new ATOM 0 HG LEU A 113 169.419 4.536 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 113 170.627 5.224 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 113 170.881 3.495 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 113 172.160 4.673 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 113 170.325 6.834 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 113 171.860 6.282 -4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 113 170.369 6.250 -5.881 1.00 0.00 H new ATOM 542 N GLY A 114 171.547 3.722 -8.849 1.00 0.00 N ATOM 543 CA GLY A 114 172.399 4.368 -9.901 1.00 0.00 C ATOM 544 C GLY A 114 173.823 3.810 -9.786 1.00 0.00 C ATOM 545 O GLY A 114 174.796 4.474 -10.090 1.00 0.00 O ATOM 0 H GLY A 114 171.257 2.766 -9.053 1.00 0.00 H new ATOM 0 HA2 GLY A 114 171.993 4.168 -10.893 1.00 0.00 H new ATOM 0 HA3 GLY A 114 172.405 5.450 -9.771 1.00 0.00 H new ATOM 549 N GLU A 115 173.930 2.577 -9.377 1.00 0.00 N ATOM 550 CA GLU A 115 175.265 1.918 -9.264 1.00 0.00 C ATOM 551 C GLU A 115 175.368 0.764 -10.262 1.00 0.00 C ATOM 552 O GLU A 115 174.591 -0.171 -10.208 1.00 0.00 O ATOM 553 CB GLU A 115 175.347 1.391 -7.831 1.00 0.00 C ATOM 554 CG GLU A 115 175.181 2.554 -6.840 1.00 0.00 C ATOM 555 CD GLU A 115 176.556 2.994 -6.327 1.00 0.00 C ATOM 556 OE1 GLU A 115 177.507 2.904 -7.086 1.00 0.00 O ATOM 557 OE2 GLU A 115 176.632 3.415 -5.185 1.00 0.00 O ATOM 0 H GLU A 115 173.140 1.989 -9.112 1.00 0.00 H new ATOM 0 HA GLU A 115 176.078 2.610 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 115 174.571 0.644 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 115 176.305 0.897 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 115 174.679 3.390 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 115 174.552 2.246 -6.005 1.00 0.00 H new ATOM 564 N LYS A 116 176.324 0.801 -11.155 1.00 0.00 N ATOM 565 CA LYS A 116 176.472 -0.324 -12.126 1.00 0.00 C ATOM 566 C LYS A 116 177.869 -0.929 -12.006 1.00 0.00 C ATOM 567 O LYS A 116 178.628 -0.995 -12.952 1.00 0.00 O ATOM 568 CB LYS A 116 176.198 0.248 -13.516 1.00 0.00 C ATOM 569 CG LYS A 116 174.700 0.526 -13.666 1.00 0.00 C ATOM 570 CD LYS A 116 174.444 1.270 -14.979 1.00 0.00 C ATOM 571 CE LYS A 116 174.339 0.263 -16.130 1.00 0.00 C ATOM 572 NZ LYS A 116 175.652 0.337 -16.830 1.00 0.00 N ATOM 0 H LYS A 116 177.003 1.555 -11.253 1.00 0.00 H new ATOM 0 HA LYS A 116 175.769 -1.132 -11.926 1.00 0.00 H new ATOM 0 HB2 LYS A 116 176.766 1.167 -13.661 1.00 0.00 H new ATOM 0 HB3 LYS A 116 176.527 -0.455 -14.282 1.00 0.00 H new ATOM 0 HG2 LYS A 116 174.143 -0.411 -13.653 1.00 0.00 H new ATOM 0 HG3 LYS A 116 174.344 1.120 -12.824 1.00 0.00 H new ATOM 0 HD2 LYS A 116 173.525 1.851 -14.906 1.00 0.00 H new ATOM 0 HD3 LYS A 116 175.252 1.975 -15.172 1.00 0.00 H new ATOM 0 HE2 LYS A 116 174.147 -0.743 -15.757 1.00 0.00 H new ATOM 0 HE3 LYS A 116 173.519 0.516 -16.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 175.904 -0.603 -17.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 175.587 1.010 -17.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 176.383 0.657 -16.163 1.00 0.00 H new ATOM 586 N LEU A 117 178.178 -1.412 -10.833 1.00 0.00 N ATOM 587 CA LEU A 117 179.486 -2.076 -10.582 1.00 0.00 C ATOM 588 C LEU A 117 179.319 -3.573 -10.853 1.00 0.00 C ATOM 589 O LEU A 117 178.253 -4.124 -10.648 1.00 0.00 O ATOM 590 CB LEU A 117 179.796 -1.818 -9.106 1.00 0.00 C ATOM 591 CG LEU A 117 179.881 -0.311 -8.853 1.00 0.00 C ATOM 592 CD1 LEU A 117 180.028 -0.052 -7.352 1.00 0.00 C ATOM 593 CD2 LEU A 117 181.095 0.261 -9.589 1.00 0.00 C ATOM 0 H LEU A 117 177.563 -1.372 -10.020 1.00 0.00 H new ATOM 0 HA LEU A 117 180.291 -1.704 -11.216 1.00 0.00 H new ATOM 0 HB2 LEU A 117 179.021 -2.259 -8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 117 180.737 -2.296 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 117 178.973 0.170 -9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 117 180.089 1.021 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 117 179.165 -0.460 -6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 117 180.936 -0.533 -6.987 1.00 0.00 H new ATOM 0 HD21 LEU A 117 181.157 1.334 -9.410 1.00 0.00 H new ATOM 0 HD22 LEU A 117 182.002 -0.221 -9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 117 180.992 0.077 -10.658 1.00 0.00 H new ATOM 605 N THR A 118 180.351 -4.238 -11.300 1.00 0.00 N ATOM 606 CA THR A 118 180.235 -5.702 -11.569 1.00 0.00 C ATOM 607 C THR A 118 181.064 -6.493 -10.556 1.00 0.00 C ATOM 608 O THR A 118 182.127 -6.056 -10.164 1.00 0.00 O ATOM 609 CB THR A 118 180.792 -5.892 -12.978 1.00 0.00 C ATOM 610 OG1 THR A 118 180.200 -4.939 -13.851 1.00 0.00 O ATOM 611 CG2 THR A 118 180.474 -7.304 -13.470 1.00 0.00 C ATOM 0 H THR A 118 181.267 -3.832 -11.490 1.00 0.00 H new ATOM 0 HA THR A 118 179.207 -6.056 -11.485 1.00 0.00 H new ATOM 0 HB THR A 118 181.873 -5.751 -12.964 1.00 0.00 H new ATOM 0 HG1 THR A 118 180.557 -5.058 -14.756 1.00 0.00 H new ATOM 0 HG21 THR A 118 180.872 -7.437 -14.476 1.00 0.00 H new ATOM 0 HG22 THR A 118 180.929 -8.034 -12.800 1.00 0.00 H new ATOM 0 HG23 THR A 118 179.394 -7.449 -13.486 1.00 0.00 H new ATOM 619 N ASP A 119 180.576 -7.633 -10.097 1.00 0.00 N ATOM 620 CA ASP A 119 181.323 -8.453 -9.068 1.00 0.00 C ATOM 621 C ASP A 119 182.839 -8.477 -9.323 1.00 0.00 C ATOM 622 O ASP A 119 183.627 -8.555 -8.398 1.00 0.00 O ATOM 623 CB ASP A 119 180.750 -9.864 -9.214 1.00 0.00 C ATOM 624 CG ASP A 119 181.202 -10.729 -8.033 1.00 0.00 C ATOM 625 OD1 ASP A 119 182.293 -10.499 -7.536 1.00 0.00 O ATOM 626 OD2 ASP A 119 180.448 -11.607 -7.645 1.00 0.00 O ATOM 0 H ASP A 119 179.686 -8.034 -10.393 1.00 0.00 H new ATOM 0 HA ASP A 119 181.198 -8.033 -8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 119 179.661 -9.823 -9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 119 181.085 -10.308 -10.152 1.00 0.00 H new ATOM 631 N ALA A 120 183.250 -8.359 -10.560 1.00 0.00 N ATOM 632 CA ALA A 120 184.712 -8.319 -10.869 1.00 0.00 C ATOM 633 C ALA A 120 185.331 -7.095 -10.188 1.00 0.00 C ATOM 634 O ALA A 120 186.293 -7.202 -9.450 1.00 0.00 O ATOM 635 CB ALA A 120 184.795 -8.174 -12.391 1.00 0.00 C ATOM 0 H ALA A 120 182.635 -8.288 -11.371 1.00 0.00 H new ATOM 0 HA ALA A 120 185.243 -9.205 -10.519 1.00 0.00 H new ATOM 0 HB1 ALA A 120 185.841 -8.137 -12.697 1.00 0.00 H new ATOM 0 HB2 ALA A 120 184.308 -9.026 -12.865 1.00 0.00 H new ATOM 0 HB3 ALA A 120 184.295 -7.255 -12.697 1.00 0.00 H new ATOM 641 N GLU A 121 184.765 -5.936 -10.415 1.00 0.00 N ATOM 642 CA GLU A 121 185.288 -4.696 -9.768 1.00 0.00 C ATOM 643 C GLU A 121 184.845 -4.634 -8.301 1.00 0.00 C ATOM 644 O GLU A 121 185.613 -4.291 -7.423 1.00 0.00 O ATOM 645 CB GLU A 121 184.675 -3.543 -10.564 1.00 0.00 C ATOM 646 CG GLU A 121 185.467 -3.336 -11.858 1.00 0.00 C ATOM 647 CD GLU A 121 184.906 -2.135 -12.629 1.00 0.00 C ATOM 648 OE1 GLU A 121 183.742 -1.817 -12.440 1.00 0.00 O ATOM 649 OE2 GLU A 121 185.654 -1.552 -13.396 1.00 0.00 O ATOM 0 H GLU A 121 183.959 -5.796 -11.024 1.00 0.00 H new ATOM 0 HA GLU A 121 186.377 -4.658 -9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 121 183.632 -3.761 -10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 121 184.686 -2.630 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 121 186.520 -3.171 -11.628 1.00 0.00 H new ATOM 0 HG3 GLU A 121 185.412 -4.233 -12.475 1.00 0.00 H new ATOM 656 N VAL A 122 183.605 -4.970 -8.037 1.00 0.00 N ATOM 657 CA VAL A 122 183.088 -4.940 -6.629 1.00 0.00 C ATOM 658 C VAL A 122 183.900 -5.890 -5.742 1.00 0.00 C ATOM 659 O VAL A 122 184.132 -5.605 -4.582 1.00 0.00 O ATOM 660 CB VAL A 122 181.624 -5.396 -6.716 1.00 0.00 C ATOM 661 CG1 VAL A 122 180.994 -5.402 -5.317 1.00 0.00 C ATOM 662 CG2 VAL A 122 180.841 -4.431 -7.609 1.00 0.00 C ATOM 0 H VAL A 122 182.925 -5.265 -8.738 1.00 0.00 H new ATOM 0 HA VAL A 122 183.171 -3.947 -6.188 1.00 0.00 H new ATOM 0 HB VAL A 122 181.590 -6.402 -7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 122 179.956 -5.726 -5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 122 181.546 -6.087 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 122 181.033 -4.397 -4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 122 179.802 -4.754 -7.671 1.00 0.00 H new ATOM 0 HG22 VAL A 122 180.884 -3.427 -7.186 1.00 0.00 H new ATOM 0 HG23 VAL A 122 181.279 -4.423 -8.607 1.00 0.00 H new ATOM 672 N ASP A 123 184.340 -7.008 -6.270 1.00 0.00 N ATOM 673 CA ASP A 123 185.141 -7.954 -5.432 1.00 0.00 C ATOM 674 C ASP A 123 186.446 -7.268 -5.012 1.00 0.00 C ATOM 675 O ASP A 123 186.897 -7.406 -3.892 1.00 0.00 O ATOM 676 CB ASP A 123 185.406 -9.176 -6.313 1.00 0.00 C ATOM 677 CG ASP A 123 186.222 -10.207 -5.529 1.00 0.00 C ATOM 678 OD1 ASP A 123 187.386 -9.942 -5.274 1.00 0.00 O ATOM 679 OD2 ASP A 123 185.670 -11.242 -5.197 1.00 0.00 O ATOM 0 H ASP A 123 184.181 -7.303 -7.233 1.00 0.00 H new ATOM 0 HA ASP A 123 184.623 -8.251 -4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 123 184.462 -9.615 -6.637 1.00 0.00 H new ATOM 0 HB3 ASP A 123 185.945 -8.878 -7.212 1.00 0.00 H new ATOM 684 N GLU A 124 187.036 -6.507 -5.901 1.00 0.00 N ATOM 685 CA GLU A 124 188.298 -5.778 -5.556 1.00 0.00 C ATOM 686 C GLU A 124 188.037 -4.829 -4.383 1.00 0.00 C ATOM 687 O GLU A 124 188.778 -4.794 -3.419 1.00 0.00 O ATOM 688 CB GLU A 124 188.654 -4.978 -6.812 1.00 0.00 C ATOM 689 CG GLU A 124 188.935 -5.940 -7.968 1.00 0.00 C ATOM 690 CD GLU A 124 189.968 -5.319 -8.909 1.00 0.00 C ATOM 691 OE1 GLU A 124 189.807 -4.158 -9.249 1.00 0.00 O ATOM 692 OE2 GLU A 124 190.901 -6.014 -9.276 1.00 0.00 O ATOM 0 H GLU A 124 186.698 -6.359 -6.852 1.00 0.00 H new ATOM 0 HA GLU A 124 189.102 -6.453 -5.263 1.00 0.00 H new ATOM 0 HB2 GLU A 124 187.835 -4.308 -7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 124 189.528 -4.355 -6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 124 189.304 -6.891 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 124 188.014 -6.152 -8.511 1.00 0.00 H new ATOM 699 N LEU A 125 186.977 -4.066 -4.463 1.00 0.00 N ATOM 700 CA LEU A 125 186.635 -3.116 -3.362 1.00 0.00 C ATOM 701 C LEU A 125 186.372 -3.885 -2.065 1.00 0.00 C ATOM 702 O LEU A 125 186.840 -3.524 -1.002 1.00 0.00 O ATOM 703 CB LEU A 125 185.349 -2.429 -3.834 1.00 0.00 C ATOM 704 CG LEU A 125 185.687 -1.175 -4.650 1.00 0.00 C ATOM 705 CD1 LEU A 125 186.559 -1.545 -5.857 1.00 0.00 C ATOM 706 CD2 LEU A 125 184.389 -0.543 -5.150 1.00 0.00 C ATOM 0 H LEU A 125 186.329 -4.061 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 125 187.438 -2.407 -3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 125 184.761 -3.118 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 125 184.736 -2.158 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 125 186.232 -0.474 -4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 125 186.791 -0.646 -6.427 1.00 0.00 H new ATOM 0 HD12 LEU A 125 187.485 -2.004 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 125 186.021 -2.249 -6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 125 184.619 0.350 -5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 125 183.855 -1.257 -5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 125 183.765 -0.270 -4.299 1.00 0.00 H new ATOM 718 N LEU A 126 185.612 -4.944 -2.161 1.00 0.00 N ATOM 719 CA LEU A 126 185.280 -5.765 -0.954 1.00 0.00 C ATOM 720 C LEU A 126 186.537 -6.404 -0.352 1.00 0.00 C ATOM 721 O LEU A 126 186.530 -6.860 0.775 1.00 0.00 O ATOM 722 CB LEU A 126 184.337 -6.857 -1.465 1.00 0.00 C ATOM 723 CG LEU A 126 182.971 -6.246 -1.786 1.00 0.00 C ATOM 724 CD1 LEU A 126 182.149 -7.239 -2.607 1.00 0.00 C ATOM 725 CD2 LEU A 126 182.234 -5.933 -0.481 1.00 0.00 C ATOM 0 H LEU A 126 185.202 -5.280 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 126 184.833 -5.154 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 126 184.756 -7.326 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 126 184.229 -7.640 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 126 183.109 -5.328 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 126 181.176 -6.804 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 126 182.673 -7.465 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 126 182.011 -8.157 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 126 181.261 -5.498 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 126 182.096 -6.852 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 126 182.819 -5.226 0.107 1.00 0.00 H new ATOM 737 N LYS A 127 187.603 -6.484 -1.110 1.00 0.00 N ATOM 738 CA LYS A 127 188.848 -7.142 -0.601 1.00 0.00 C ATOM 739 C LYS A 127 189.343 -6.491 0.698 1.00 0.00 C ATOM 740 O LYS A 127 190.127 -7.075 1.422 1.00 0.00 O ATOM 741 CB LYS A 127 189.882 -6.933 -1.711 1.00 0.00 C ATOM 742 CG LYS A 127 191.147 -7.731 -1.390 1.00 0.00 C ATOM 743 CD LYS A 127 190.898 -9.215 -1.665 1.00 0.00 C ATOM 744 CE LYS A 127 191.314 -9.545 -3.101 1.00 0.00 C ATOM 745 NZ LYS A 127 191.531 -11.019 -3.107 1.00 0.00 N ATOM 0 H LYS A 127 187.665 -6.121 -2.061 1.00 0.00 H new ATOM 0 HA LYS A 127 188.673 -8.193 -0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 127 189.472 -7.252 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 127 190.122 -5.874 -1.804 1.00 0.00 H new ATOM 0 HG2 LYS A 127 191.979 -7.373 -1.996 1.00 0.00 H new ATOM 0 HG3 LYS A 127 191.426 -7.586 -0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 127 191.464 -9.826 -0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 127 189.844 -9.451 -1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 127 190.541 -9.256 -3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 127 192.221 -9.011 -3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 191.819 -11.324 -4.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 192.277 -11.263 -2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 190.648 -11.501 -2.842 1.00 0.00 H new ATOM 759 N GLY A 128 188.902 -5.292 0.998 1.00 0.00 N ATOM 760 CA GLY A 128 189.363 -4.617 2.249 1.00 0.00 C ATOM 761 C GLY A 128 188.199 -4.435 3.236 1.00 0.00 C ATOM 762 O GLY A 128 188.411 -4.056 4.373 1.00 0.00 O ATOM 0 H GLY A 128 188.245 -4.755 0.432 1.00 0.00 H new ATOM 0 HA2 GLY A 128 190.152 -5.207 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 128 189.793 -3.646 2.005 1.00 0.00 H new ATOM 766 N VAL A 129 186.974 -4.687 2.824 1.00 0.00 N ATOM 767 CA VAL A 129 185.821 -4.506 3.761 1.00 0.00 C ATOM 768 C VAL A 129 185.832 -5.579 4.861 1.00 0.00 C ATOM 769 O VAL A 129 186.017 -6.755 4.613 1.00 0.00 O ATOM 770 CB VAL A 129 184.553 -4.586 2.891 1.00 0.00 C ATOM 771 CG1 VAL A 129 184.303 -6.029 2.420 1.00 0.00 C ATOM 772 CG2 VAL A 129 183.350 -4.104 3.708 1.00 0.00 C ATOM 0 H VAL A 129 186.728 -5.007 1.887 1.00 0.00 H new ATOM 0 HA VAL A 129 185.871 -3.550 4.282 1.00 0.00 H new ATOM 0 HB VAL A 129 184.691 -3.953 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 129 183.402 -6.061 1.807 1.00 0.00 H new ATOM 0 HG12 VAL A 129 185.154 -6.372 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 129 184.175 -6.678 3.287 1.00 0.00 H new ATOM 0 HG21 VAL A 129 182.449 -4.159 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 129 183.230 -4.737 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 129 183.513 -3.073 4.022 1.00 0.00 H new ATOM 782 N GLU A 130 185.639 -5.150 6.079 1.00 0.00 N ATOM 783 CA GLU A 130 185.634 -6.088 7.238 1.00 0.00 C ATOM 784 C GLU A 130 184.203 -6.436 7.658 1.00 0.00 C ATOM 785 O GLU A 130 183.555 -5.695 8.372 1.00 0.00 O ATOM 786 CB GLU A 130 186.336 -5.320 8.357 1.00 0.00 C ATOM 787 CG GLU A 130 186.560 -6.250 9.555 1.00 0.00 C ATOM 788 CD GLU A 130 187.264 -5.493 10.688 1.00 0.00 C ATOM 789 OE1 GLU A 130 187.871 -4.469 10.414 1.00 0.00 O ATOM 790 OE2 GLU A 130 187.185 -5.955 11.814 1.00 0.00 O ATOM 0 H GLU A 130 185.482 -4.172 6.324 1.00 0.00 H new ATOM 0 HA GLU A 130 186.126 -7.031 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 130 187.290 -4.931 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 130 185.734 -4.462 8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 130 185.604 -6.639 9.906 1.00 0.00 H new ATOM 0 HG3 GLU A 130 187.161 -7.107 9.252 1.00 0.00 H new ATOM 797 N VAL A 131 183.722 -7.578 7.235 1.00 0.00 N ATOM 798 CA VAL A 131 182.350 -8.015 7.619 1.00 0.00 C ATOM 799 C VAL A 131 182.395 -8.650 9.013 1.00 0.00 C ATOM 800 O VAL A 131 183.429 -9.118 9.452 1.00 0.00 O ATOM 801 CB VAL A 131 181.945 -9.043 6.554 1.00 0.00 C ATOM 802 CG1 VAL A 131 182.920 -10.233 6.557 1.00 0.00 C ATOM 803 CG2 VAL A 131 180.530 -9.537 6.849 1.00 0.00 C ATOM 0 H VAL A 131 184.227 -8.230 6.635 1.00 0.00 H new ATOM 0 HA VAL A 131 181.636 -7.192 7.663 1.00 0.00 H new ATOM 0 HB VAL A 131 181.977 -8.571 5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 131 182.618 -10.953 5.796 1.00 0.00 H new ATOM 0 HG12 VAL A 131 183.928 -9.878 6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 131 182.906 -10.713 7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 131 180.235 -10.268 6.096 1.00 0.00 H new ATOM 0 HG22 VAL A 131 180.505 -10.001 7.835 1.00 0.00 H new ATOM 0 HG23 VAL A 131 179.839 -8.695 6.827 1.00 0.00 H new ATOM 813 N ASP A 132 181.291 -8.652 9.716 1.00 0.00 N ATOM 814 CA ASP A 132 181.279 -9.239 11.090 1.00 0.00 C ATOM 815 C ASP A 132 180.765 -10.681 11.071 1.00 0.00 C ATOM 816 O ASP A 132 180.484 -11.245 10.032 1.00 0.00 O ATOM 817 CB ASP A 132 180.327 -8.346 11.888 1.00 0.00 C ATOM 818 CG ASP A 132 180.959 -6.966 12.079 1.00 0.00 C ATOM 819 OD1 ASP A 132 181.654 -6.523 11.180 1.00 0.00 O ATOM 820 OD2 ASP A 132 180.734 -6.374 13.122 1.00 0.00 O ATOM 0 H ASP A 132 180.399 -8.273 9.399 1.00 0.00 H new ATOM 0 HA ASP A 132 182.279 -9.276 11.522 1.00 0.00 H new ATOM 0 HB2 ASP A 132 179.375 -8.252 11.365 1.00 0.00 H new ATOM 0 HB3 ASP A 132 180.115 -8.798 12.857 1.00 0.00 H new ATOM 825 N SER A 133 180.652 -11.276 12.232 1.00 0.00 N ATOM 826 CA SER A 133 180.165 -12.689 12.328 1.00 0.00 C ATOM 827 C SER A 133 178.657 -12.796 12.031 1.00 0.00 C ATOM 828 O SER A 133 178.105 -13.880 12.033 1.00 0.00 O ATOM 829 CB SER A 133 180.453 -13.109 13.768 1.00 0.00 C ATOM 830 OG SER A 133 181.796 -13.566 13.865 1.00 0.00 O ATOM 0 H SER A 133 180.878 -10.840 13.126 1.00 0.00 H new ATOM 0 HA SER A 133 180.661 -13.328 11.597 1.00 0.00 H new ATOM 0 HB2 SER A 133 180.293 -12.268 14.443 1.00 0.00 H new ATOM 0 HB3 SER A 133 179.765 -13.898 14.073 1.00 0.00 H new ATOM 0 HG SER A 133 181.984 -13.835 14.788 1.00 0.00 H new ATOM 836 N ASN A 134 177.990 -11.698 11.760 1.00 0.00 N ATOM 837 CA ASN A 134 176.530 -11.757 11.446 1.00 0.00 C ATOM 838 C ASN A 134 176.291 -11.487 9.952 1.00 0.00 C ATOM 839 O ASN A 134 175.216 -11.738 9.439 1.00 0.00 O ATOM 840 CB ASN A 134 175.892 -10.663 12.305 1.00 0.00 C ATOM 841 CG ASN A 134 174.391 -10.932 12.462 1.00 0.00 C ATOM 842 OD1 ASN A 134 173.909 -11.998 12.129 1.00 0.00 O ATOM 843 ND2 ASN A 134 173.625 -10.001 12.963 1.00 0.00 N ATOM 0 H ASN A 134 178.397 -10.763 11.743 1.00 0.00 H new ATOM 0 HA ASN A 134 176.104 -12.738 11.658 1.00 0.00 H new ATOM 0 HB2 ASN A 134 176.369 -10.633 13.284 1.00 0.00 H new ATOM 0 HB3 ASN A 134 176.049 -9.688 11.844 1.00 0.00 H new ATOM 0 HD21 ASN A 134 172.625 -10.168 13.074 1.00 0.00 H new ATOM 0 HD22 ASN A 134 174.027 -9.106 13.243 1.00 0.00 H new ATOM 850 N GLY A 135 177.280 -10.983 9.251 1.00 0.00 N ATOM 851 CA GLY A 135 177.105 -10.704 7.794 1.00 0.00 C ATOM 852 C GLY A 135 176.587 -9.277 7.599 1.00 0.00 C ATOM 853 O GLY A 135 175.888 -8.987 6.647 1.00 0.00 O ATOM 0 H GLY A 135 178.200 -10.754 9.627 1.00 0.00 H new ATOM 0 HA2 GLY A 135 178.054 -10.831 7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 135 176.405 -11.418 7.359 1.00 0.00 H new ATOM 857 N GLU A 136 176.918 -8.391 8.504 1.00 0.00 N ATOM 858 CA GLU A 136 176.438 -6.982 8.389 1.00 0.00 C ATOM 859 C GLU A 136 177.593 -6.032 8.063 1.00 0.00 C ATOM 860 O GLU A 136 178.655 -6.093 8.652 1.00 0.00 O ATOM 861 CB GLU A 136 175.845 -6.653 9.760 1.00 0.00 C ATOM 862 CG GLU A 136 174.548 -7.444 9.959 1.00 0.00 C ATOM 863 CD GLU A 136 173.941 -7.127 11.332 1.00 0.00 C ATOM 864 OE1 GLU A 136 174.666 -6.650 12.193 1.00 0.00 O ATOM 865 OE2 GLU A 136 172.757 -7.368 11.500 1.00 0.00 O ATOM 0 H GLU A 136 177.501 -8.584 9.319 1.00 0.00 H new ATOM 0 HA GLU A 136 175.710 -6.868 7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 136 176.559 -6.901 10.546 1.00 0.00 H new ATOM 0 HB3 GLU A 136 175.647 -5.584 9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 136 173.836 -7.194 9.172 1.00 0.00 H new ATOM 0 HG3 GLU A 136 174.749 -8.512 9.880 1.00 0.00 H new ATOM 872 N ILE A 137 177.372 -5.144 7.129 1.00 0.00 N ATOM 873 CA ILE A 137 178.425 -4.161 6.743 1.00 0.00 C ATOM 874 C ILE A 137 177.853 -2.744 6.861 1.00 0.00 C ATOM 875 O ILE A 137 176.696 -2.506 6.568 1.00 0.00 O ATOM 876 CB ILE A 137 178.783 -4.502 5.291 1.00 0.00 C ATOM 877 CG1 ILE A 137 179.390 -5.912 5.237 1.00 0.00 C ATOM 878 CG2 ILE A 137 179.806 -3.492 4.746 1.00 0.00 C ATOM 879 CD1 ILE A 137 178.279 -6.962 5.147 1.00 0.00 C ATOM 0 H ILE A 137 176.497 -5.058 6.612 1.00 0.00 H new ATOM 0 HA ILE A 137 179.308 -4.206 7.381 1.00 0.00 H new ATOM 0 HB ILE A 137 177.880 -4.460 4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 137 180.053 -5.998 4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 137 179.997 -6.089 6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 137 180.052 -3.744 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 137 179.382 -2.489 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 137 180.710 -3.526 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 137 178.721 -7.957 5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 137 177.634 -6.885 6.022 1.00 0.00 H new ATOM 0 HD13 ILE A 137 177.690 -6.792 4.246 1.00 0.00 H new ATOM 891 N ASP A 138 178.656 -1.813 7.300 1.00 0.00 N ATOM 892 CA ASP A 138 178.165 -0.409 7.455 1.00 0.00 C ATOM 893 C ASP A 138 177.917 0.221 6.080 1.00 0.00 C ATOM 894 O ASP A 138 178.838 0.443 5.315 1.00 0.00 O ATOM 895 CB ASP A 138 179.285 0.330 8.191 1.00 0.00 C ATOM 896 CG ASP A 138 178.801 1.723 8.602 1.00 0.00 C ATOM 897 OD1 ASP A 138 178.012 2.296 7.869 1.00 0.00 O ATOM 898 OD2 ASP A 138 179.231 2.195 9.641 1.00 0.00 O ATOM 0 H ASP A 138 179.631 -1.962 7.559 1.00 0.00 H new ATOM 0 HA ASP A 138 177.222 -0.362 8.000 1.00 0.00 H new ATOM 0 HB2 ASP A 138 179.588 -0.235 9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 138 180.162 0.414 7.549 1.00 0.00 H new ATOM 903 N TYR A 139 176.678 0.488 5.755 1.00 0.00 N ATOM 904 CA TYR A 139 176.354 1.082 4.419 1.00 0.00 C ATOM 905 C TYR A 139 176.877 2.518 4.300 1.00 0.00 C ATOM 906 O TYR A 139 177.262 2.948 3.230 1.00 0.00 O ATOM 907 CB TYR A 139 174.821 1.050 4.310 1.00 0.00 C ATOM 908 CG TYR A 139 174.177 1.869 5.407 1.00 0.00 C ATOM 909 CD1 TYR A 139 174.046 3.256 5.265 1.00 0.00 C ATOM 910 CD2 TYR A 139 173.690 1.237 6.557 1.00 0.00 C ATOM 911 CE1 TYR A 139 173.430 4.009 6.272 1.00 0.00 C ATOM 912 CE2 TYR A 139 173.078 1.989 7.565 1.00 0.00 C ATOM 913 CZ TYR A 139 172.947 3.374 7.423 1.00 0.00 C ATOM 914 OH TYR A 139 172.340 4.116 8.416 1.00 0.00 O ATOM 0 H TYR A 139 175.873 0.320 6.358 1.00 0.00 H new ATOM 0 HA TYR A 139 176.830 0.520 3.615 1.00 0.00 H new ATOM 0 HB2 TYR A 139 174.515 1.435 3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 139 174.471 0.019 4.369 1.00 0.00 H new ATOM 0 HD1 TYR A 139 174.420 3.745 4.378 1.00 0.00 H new ATOM 0 HD2 TYR A 139 173.787 0.167 6.666 1.00 0.00 H new ATOM 0 HE1 TYR A 139 173.327 5.078 6.161 1.00 0.00 H new ATOM 0 HE2 TYR A 139 172.706 1.500 8.453 1.00 0.00 H new ATOM 0 HH TYR A 139 171.670 3.565 8.873 1.00 0.00 H new ATOM 924 N LYS A 140 176.879 3.267 5.374 1.00 0.00 N ATOM 925 CA LYS A 140 177.361 4.682 5.295 1.00 0.00 C ATOM 926 C LYS A 140 178.875 4.719 5.067 1.00 0.00 C ATOM 927 O LYS A 140 179.397 5.617 4.433 1.00 0.00 O ATOM 928 CB LYS A 140 177.014 5.309 6.651 1.00 0.00 C ATOM 929 CG LYS A 140 175.798 6.228 6.504 1.00 0.00 C ATOM 930 CD LYS A 140 175.083 6.345 7.852 1.00 0.00 C ATOM 931 CE LYS A 140 174.206 7.598 7.859 1.00 0.00 C ATOM 932 NZ LYS A 140 173.857 7.815 9.291 1.00 0.00 N ATOM 0 H LYS A 140 176.570 2.963 6.297 1.00 0.00 H new ATOM 0 HA LYS A 140 176.899 5.220 4.467 1.00 0.00 H new ATOM 0 HB2 LYS A 140 176.803 4.527 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 140 177.865 5.875 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 140 176.113 7.213 6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 140 175.117 5.830 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 140 174.472 5.460 8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 140 175.813 6.395 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 140 174.739 8.455 7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 140 173.312 7.458 7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 173.255 8.659 9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 173.345 6.986 9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 174.727 7.952 9.843 1.00 0.00 H new ATOM 946 N LYS A 141 179.579 3.757 5.602 1.00 0.00 N ATOM 947 CA LYS A 141 181.066 3.730 5.448 1.00 0.00 C ATOM 948 C LYS A 141 181.480 3.335 4.026 1.00 0.00 C ATOM 949 O LYS A 141 182.396 3.904 3.462 1.00 0.00 O ATOM 950 CB LYS A 141 181.552 2.682 6.452 1.00 0.00 C ATOM 951 CG LYS A 141 181.364 3.213 7.874 1.00 0.00 C ATOM 952 CD LYS A 141 182.437 4.262 8.174 1.00 0.00 C ATOM 953 CE LYS A 141 182.299 4.735 9.622 1.00 0.00 C ATOM 954 NZ LYS A 141 183.092 3.761 10.422 1.00 0.00 N ATOM 0 H LYS A 141 179.188 2.985 6.142 1.00 0.00 H new ATOM 0 HA LYS A 141 181.499 4.714 5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 141 180.996 1.753 6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 141 182.602 2.452 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 141 180.372 3.651 7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 141 181.430 2.395 8.591 1.00 0.00 H new ATOM 0 HD2 LYS A 141 183.429 3.840 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 141 182.335 5.107 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 141 182.680 5.749 9.744 1.00 0.00 H new ATOM 0 HE3 LYS A 141 181.255 4.747 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 183.046 4.019 11.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 182.702 2.806 10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 184.083 3.777 10.106 1.00 0.00 H new ATOM 968 N PHE A 142 180.839 2.342 3.460 1.00 0.00 N ATOM 969 CA PHE A 142 181.227 1.884 2.090 1.00 0.00 C ATOM 970 C PHE A 142 180.829 2.920 1.042 1.00 0.00 C ATOM 971 O PHE A 142 181.463 3.040 0.012 1.00 0.00 O ATOM 972 CB PHE A 142 180.492 0.562 1.865 1.00 0.00 C ATOM 973 CG PHE A 142 180.913 -0.037 0.541 1.00 0.00 C ATOM 974 CD1 PHE A 142 182.270 -0.238 0.265 1.00 0.00 C ATOM 975 CD2 PHE A 142 179.944 -0.400 -0.405 1.00 0.00 C ATOM 976 CE1 PHE A 142 182.662 -0.800 -0.957 1.00 0.00 C ATOM 977 CE2 PHE A 142 180.337 -0.963 -1.627 1.00 0.00 C ATOM 978 CZ PHE A 142 181.696 -1.163 -1.901 1.00 0.00 C ATOM 0 H PHE A 142 180.066 1.830 3.886 1.00 0.00 H new ATOM 0 HA PHE A 142 182.306 1.754 2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 142 180.715 -0.131 2.676 1.00 0.00 H new ATOM 0 HB3 PHE A 142 179.415 0.728 1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 142 183.016 0.040 0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 142 178.896 -0.246 -0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 142 183.710 -0.953 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 142 179.592 -1.243 -2.357 1.00 0.00 H new ATOM 0 HZ PHE A 142 181.998 -1.598 -2.842 1.00 0.00 H new ATOM 988 N ILE A 143 179.802 3.684 1.303 1.00 0.00 N ATOM 989 CA ILE A 143 179.376 4.734 0.332 1.00 0.00 C ATOM 990 C ILE A 143 180.346 5.921 0.393 1.00 0.00 C ATOM 991 O ILE A 143 180.788 6.413 -0.629 1.00 0.00 O ATOM 992 CB ILE A 143 177.962 5.132 0.776 1.00 0.00 C ATOM 993 CG1 ILE A 143 177.023 3.937 0.604 1.00 0.00 C ATOM 994 CG2 ILE A 143 177.450 6.292 -0.072 1.00 0.00 C ATOM 995 CD1 ILE A 143 175.714 4.204 1.349 1.00 0.00 C ATOM 0 H ILE A 143 179.237 3.626 2.150 1.00 0.00 H new ATOM 0 HA ILE A 143 179.380 4.387 -0.701 1.00 0.00 H new ATOM 0 HB ILE A 143 177.993 5.438 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 143 176.823 3.767 -0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 143 177.494 3.032 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 143 176.446 6.565 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 143 178.114 7.148 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 143 177.423 5.993 -1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 143 175.045 3.352 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 143 175.922 4.352 2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 143 175.241 5.098 0.944 1.00 0.00 H new ATOM 1007 N GLU A 144 180.695 6.375 1.571 1.00 0.00 N ATOM 1008 CA GLU A 144 181.657 7.519 1.680 1.00 0.00 C ATOM 1009 C GLU A 144 182.988 7.144 1.016 1.00 0.00 C ATOM 1010 O GLU A 144 183.706 8.003 0.535 1.00 0.00 O ATOM 1011 CB GLU A 144 181.854 7.743 3.179 1.00 0.00 C ATOM 1012 CG GLU A 144 180.572 8.319 3.784 1.00 0.00 C ATOM 1013 CD GLU A 144 180.330 9.723 3.228 1.00 0.00 C ATOM 1014 OE1 GLU A 144 181.183 10.573 3.428 1.00 0.00 O ATOM 1015 OE2 GLU A 144 179.297 9.924 2.610 1.00 0.00 O ATOM 0 H GLU A 144 180.358 6.006 2.460 1.00 0.00 H new ATOM 0 HA GLU A 144 181.287 8.417 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 144 182.108 6.802 3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 144 182.687 8.425 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 144 179.725 7.673 3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 144 180.655 8.356 4.870 1.00 0.00 H new ATOM 1022 N ASP A 145 183.311 5.876 0.965 1.00 0.00 N ATOM 1023 CA ASP A 145 184.583 5.460 0.305 1.00 0.00 C ATOM 1024 C ASP A 145 184.350 5.211 -1.196 1.00 0.00 C ATOM 1025 O ASP A 145 185.290 5.114 -1.962 1.00 0.00 O ATOM 1026 CB ASP A 145 185.033 4.186 1.023 1.00 0.00 C ATOM 1027 CG ASP A 145 186.407 3.765 0.500 1.00 0.00 C ATOM 1028 OD1 ASP A 145 186.480 3.337 -0.640 1.00 0.00 O ATOM 1029 OD2 ASP A 145 187.364 3.877 1.249 1.00 0.00 O ATOM 0 H ASP A 145 182.751 5.115 1.350 1.00 0.00 H new ATOM 0 HA ASP A 145 185.349 6.232 0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 145 185.078 4.358 2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 145 184.309 3.388 0.858 1.00 0.00 H new ATOM 1034 N VAL A 146 183.110 5.154 -1.631 1.00 0.00 N ATOM 1035 CA VAL A 146 182.830 4.969 -3.088 1.00 0.00 C ATOM 1036 C VAL A 146 182.590 6.355 -3.703 1.00 0.00 C ATOM 1037 O VAL A 146 183.060 6.666 -4.779 1.00 0.00 O ATOM 1038 CB VAL A 146 181.573 4.088 -3.149 1.00 0.00 C ATOM 1039 CG1 VAL A 146 181.056 3.998 -4.590 1.00 0.00 C ATOM 1040 CG2 VAL A 146 181.921 2.682 -2.657 1.00 0.00 C ATOM 0 H VAL A 146 182.283 5.228 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 146 183.644 4.500 -3.641 1.00 0.00 H new ATOM 0 HB VAL A 146 180.801 4.529 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 146 180.165 3.371 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 146 180.809 4.996 -4.951 1.00 0.00 H new ATOM 0 HG13 VAL A 146 181.827 3.563 -5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 146 181.033 2.052 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A 146 182.698 2.256 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 146 182.281 2.735 -1.630 1.00 0.00 H new ATOM 1050 N LEU A 147 181.869 7.188 -2.996 1.00 0.00 N ATOM 1051 CA LEU A 147 181.588 8.576 -3.485 1.00 0.00 C ATOM 1052 C LEU A 147 182.885 9.323 -3.824 1.00 0.00 C ATOM 1053 O LEU A 147 182.876 10.277 -4.579 1.00 0.00 O ATOM 1054 CB LEU A 147 180.869 9.271 -2.326 1.00 0.00 C ATOM 1055 CG LEU A 147 179.470 8.676 -2.163 1.00 0.00 C ATOM 1056 CD1 LEU A 147 178.836 9.214 -0.879 1.00 0.00 C ATOM 1057 CD2 LEU A 147 178.605 9.071 -3.361 1.00 0.00 C ATOM 0 H LEU A 147 181.457 6.964 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 147 180.992 8.561 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 147 181.438 9.147 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 147 180.800 10.342 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 147 179.541 7.590 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 147 177.838 8.791 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 147 179.452 8.935 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 147 178.765 10.300 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 147 177.608 8.647 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 147 178.533 10.157 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 147 179.057 8.691 -4.277 1.00 0.00 H new ATOM 1069 N ARG A 148 183.999 8.896 -3.278 1.00 0.00 N ATOM 1070 CA ARG A 148 185.298 9.583 -3.575 1.00 0.00 C ATOM 1071 C ARG A 148 185.580 9.557 -5.081 1.00 0.00 C ATOM 1072 O ARG A 148 186.057 10.522 -5.648 1.00 0.00 O ATOM 1073 CB ARG A 148 186.363 8.781 -2.823 1.00 0.00 C ATOM 1074 CG ARG A 148 186.385 9.207 -1.353 1.00 0.00 C ATOM 1075 CD ARG A 148 187.482 8.436 -0.616 1.00 0.00 C ATOM 1076 NE ARG A 148 188.099 9.431 0.306 1.00 0.00 N ATOM 1077 CZ ARG A 148 187.959 9.301 1.596 1.00 0.00 C ATOM 1078 NH1 ARG A 148 186.896 9.770 2.189 1.00 0.00 N ATOM 1079 NH2 ARG A 148 188.883 8.700 2.295 1.00 0.00 N ATOM 0 H ARG A 148 184.066 8.103 -2.640 1.00 0.00 H new ATOM 0 HA ARG A 148 185.284 10.629 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 148 186.151 7.715 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 148 187.342 8.945 -3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 148 186.565 10.279 -1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 148 185.416 9.013 -0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 148 187.069 7.591 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 148 188.218 8.034 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 148 188.631 10.215 -0.072 1.00 0.00 H new ATOM 0 HH11 ARG A 148 186.173 10.239 1.644 1.00 0.00 H new ATOM 0 HH12 ARG A 148 186.788 9.668 3.198 1.00 0.00 H new ATOM 0 HH21 ARG A 148 189.714 8.332 1.832 1.00 0.00 H new ATOM 0 HH22 ARG A 148 188.774 8.598 3.304 1.00 0.00 H new ATOM 1093 N GLN A 149 185.289 8.457 -5.727 1.00 0.00 N ATOM 1094 CA GLN A 149 185.535 8.357 -7.197 1.00 0.00 C ATOM 1095 C GLN A 149 184.395 7.592 -7.873 1.00 0.00 C ATOM 1096 O GLN A 149 183.568 8.232 -8.502 1.00 0.00 O ATOM 1097 CB GLN A 149 186.850 7.587 -7.329 1.00 0.00 C ATOM 1098 CG GLN A 149 187.570 8.023 -8.606 1.00 0.00 C ATOM 1099 CD GLN A 149 188.290 9.350 -8.358 1.00 0.00 C ATOM 1100 OE1 GLN A 149 187.763 10.228 -7.705 1.00 0.00 O ATOM 1101 NE2 GLN A 149 189.483 9.534 -8.856 1.00 0.00 N ATOM 1102 OXT GLN A 149 184.366 6.379 -7.748 1.00 0.00 O ATOM 0 H GLN A 149 184.891 7.622 -5.298 1.00 0.00 H new ATOM 0 HA GLN A 149 185.587 9.336 -7.674 1.00 0.00 H new ATOM 0 HB2 GLN A 149 187.482 7.774 -6.461 1.00 0.00 H new ATOM 0 HB3 GLN A 149 186.655 6.515 -7.357 1.00 0.00 H new ATOM 0 HG2 GLN A 149 188.286 7.260 -8.911 1.00 0.00 H new ATOM 0 HG3 GLN A 149 186.854 8.132 -9.421 1.00 0.00 H new ATOM 0 HE21 GLN A 149 189.926 8.797 -9.404 1.00 0.00 H new ATOM 0 HE22 GLN A 149 189.972 10.415 -8.697 1.00 0.00 H new TER 1111 GLN A 149