USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 431 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.57) USER MOD Single : A 1 ASN N :NH3+ -159:sc= 0 (180deg=-0.507) USER MOD Single : A 5 ASN : amide:sc= -3.27! C(o=-3.3!,f=-6.9!) USER MOD Single : A 8 ASN : amide:sc= -3.28! C(o=-3.3!,f=-15!) USER MOD Single : A 10 ASN : amide:sc= -0.195 K(o=-0.2,f=-2.3!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -13:sc= 0.813 USER MOD Single : A 35 TYR OH : rot -35:sc= -0.971 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -100:sc= -0.196 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 52:sc= 0.739 USER MOD Single : A 48 THR OG1 : rot -170:sc= -0.19 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 54 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.48) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.33) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 1.070 -0.249 -0.955 1.00 0.00 N ATOM 2 CA ASN A 1 2.035 -0.224 -2.048 1.00 0.00 C ATOM 3 C ASN A 1 3.438 0.076 -1.529 1.00 0.00 C ATOM 4 O ASN A 1 3.604 0.672 -0.465 1.00 0.00 O ATOM 5 CB ASN A 1 1.630 0.823 -3.089 1.00 0.00 C ATOM 6 CG ASN A 1 0.134 0.841 -3.340 1.00 0.00 C ATOM 7 OD1 ASN A 1 -0.481 -0.202 -3.565 1.00 0.00 O ATOM 8 ND2 ASN A 1 -0.458 2.029 -3.301 1.00 0.00 N ATOM 0 H1 ASN A 1 0.228 -0.786 -1.247 1.00 0.00 H new ATOM 0 H2 ASN A 1 1.499 -0.703 -0.124 1.00 0.00 H new ATOM 0 H3 ASN A 1 0.794 0.724 -0.714 1.00 0.00 H new ATOM 0 HA ASN A 1 2.043 -1.209 -2.515 1.00 0.00 H new ATOM 0 HB2 ASN A 1 1.951 1.809 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.150 0.621 -4.025 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -1.463 2.104 -3.461 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.092 2.867 -3.111 1.00 0.00 H new ATOM 15 N CYS A 2 4.445 -0.343 -2.288 1.00 0.00 N ATOM 16 CA CYS A 2 5.834 -0.120 -1.906 1.00 0.00 C ATOM 17 C CYS A 2 6.509 0.864 -2.857 1.00 0.00 C ATOM 18 O CYS A 2 5.895 1.343 -3.811 1.00 0.00 O ATOM 19 CB CYS A 2 6.601 -1.444 -1.897 1.00 0.00 C ATOM 20 SG CYS A 2 7.457 -1.797 -0.329 1.00 0.00 S ATOM 0 H CYS A 2 4.325 -0.839 -3.171 1.00 0.00 H new ATOM 0 HA CYS A 2 5.845 0.306 -0.903 1.00 0.00 H new ATOM 0 HB2 CYS A 2 5.905 -2.256 -2.110 1.00 0.00 H new ATOM 0 HB3 CYS A 2 7.334 -1.433 -2.704 1.00 0.00 H new ATOM 25 N VAL A 3 7.777 1.162 -2.591 1.00 0.00 N ATOM 26 CA VAL A 3 8.536 2.088 -3.422 1.00 0.00 C ATOM 27 C VAL A 3 9.686 1.377 -4.128 1.00 0.00 C ATOM 28 O VAL A 3 10.305 0.472 -3.569 1.00 0.00 O ATOM 29 CB VAL A 3 9.101 3.255 -2.591 1.00 0.00 C ATOM 30 CG1 VAL A 3 9.933 4.180 -3.466 1.00 0.00 C ATOM 31 CG2 VAL A 3 7.975 4.019 -1.912 1.00 0.00 C ATOM 0 H VAL A 3 8.300 0.775 -1.806 1.00 0.00 H new ATOM 0 HA VAL A 3 7.845 2.484 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 3 9.750 2.846 -1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.324 4.999 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.762 3.622 -3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 3 9.310 4.584 -4.264 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.392 4.840 -1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.298 4.418 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.426 3.348 -1.252 1.00 0.00 H new ATOM 41 N ALA A 4 9.966 1.794 -5.358 1.00 0.00 N ATOM 42 CA ALA A 4 11.043 1.199 -6.139 1.00 0.00 C ATOM 43 C ALA A 4 12.099 2.238 -6.498 1.00 0.00 C ATOM 44 O ALA A 4 11.791 3.273 -7.088 1.00 0.00 O ATOM 45 CB ALA A 4 10.486 0.552 -7.399 1.00 0.00 C ATOM 0 H ALA A 4 9.462 2.542 -5.835 1.00 0.00 H new ATOM 0 HA ALA A 4 11.519 0.431 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 4 11.301 0.112 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.774 -0.226 -7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 4 9.983 1.307 -8.004 1.00 0.00 H new ATOM 51 N ASN A 5 13.347 1.955 -6.138 1.00 0.00 N ATOM 52 CA ASN A 5 14.450 2.867 -6.422 1.00 0.00 C ATOM 53 C ASN A 5 15.585 2.142 -7.138 1.00 0.00 C ATOM 54 O ASN A 5 15.857 0.972 -6.865 1.00 0.00 O ATOM 55 CB ASN A 5 14.967 3.493 -5.125 1.00 0.00 C ATOM 56 CG ASN A 5 14.141 4.688 -4.690 1.00 0.00 C ATOM 57 OD1 ASN A 5 13.207 5.096 -5.381 1.00 0.00 O ATOM 58 ND2 ASN A 5 14.483 5.257 -3.540 1.00 0.00 N ATOM 0 H ASN A 5 13.620 1.102 -5.649 1.00 0.00 H new ATOM 0 HA ASN A 5 14.078 3.656 -7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 5 14.960 2.743 -4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 5 16.003 3.802 -5.262 1.00 0.00 H new ATOM 0 HD21 ASN A 5 13.964 6.066 -3.197 1.00 0.00 H new ATOM 0 HD22 ASN A 5 15.264 4.885 -3.000 1.00 0.00 H new ATOM 65 N ILE A 6 16.243 2.844 -8.054 1.00 0.00 N ATOM 66 CA ILE A 6 17.350 2.268 -8.808 1.00 0.00 C ATOM 67 C ILE A 6 18.661 2.977 -8.488 1.00 0.00 C ATOM 68 O ILE A 6 18.720 4.207 -8.447 1.00 0.00 O ATOM 69 CB ILE A 6 17.096 2.341 -10.325 1.00 0.00 C ATOM 70 CG1 ILE A 6 15.730 1.741 -10.665 1.00 0.00 C ATOM 71 CG2 ILE A 6 18.201 1.620 -11.082 1.00 0.00 C ATOM 72 CD1 ILE A 6 15.726 0.229 -10.698 1.00 0.00 C ATOM 0 H ILE A 6 16.029 3.812 -8.292 1.00 0.00 H new ATOM 0 HA ILE A 6 17.424 1.222 -8.511 1.00 0.00 H new ATOM 0 HB ILE A 6 17.098 3.388 -10.629 1.00 0.00 H new ATOM 0 HG12 ILE A 6 14.999 2.082 -9.932 1.00 0.00 H new ATOM 0 HG13 ILE A 6 15.408 2.118 -11.635 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.007 1.680 -12.153 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.160 2.088 -10.860 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.229 0.574 -10.777 1.00 0.00 H new ATOM 0 HD11 ILE A 6 14.726 -0.127 -10.945 1.00 0.00 H new ATOM 0 HD12 ILE A 6 16.432 -0.120 -11.451 1.00 0.00 H new ATOM 0 HD13 ILE A 6 16.017 -0.157 -9.721 1.00 0.00 H new ATOM 84 N LEU A 7 19.711 2.195 -8.265 1.00 0.00 N ATOM 85 CA LEU A 7 21.024 2.748 -7.951 1.00 0.00 C ATOM 86 C LEU A 7 22.041 2.380 -9.027 1.00 0.00 C ATOM 87 O LEU A 7 21.884 1.382 -9.727 1.00 0.00 O ATOM 88 CB LEU A 7 21.500 2.241 -6.588 1.00 0.00 C ATOM 89 CG LEU A 7 20.453 2.229 -5.474 1.00 0.00 C ATOM 90 CD1 LEU A 7 20.322 0.835 -4.880 1.00 0.00 C ATOM 91 CD2 LEU A 7 20.813 3.239 -4.394 1.00 0.00 C ATOM 0 H LEU A 7 19.679 1.176 -8.296 1.00 0.00 H new ATOM 0 HA LEU A 7 20.935 3.834 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 7 21.881 1.227 -6.712 1.00 0.00 H new ATOM 0 HB3 LEU A 7 22.338 2.859 -6.265 1.00 0.00 H new ATOM 0 HG LEU A 7 19.491 2.511 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.572 0.846 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.018 0.135 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 7 21.281 0.524 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 7 20.057 3.217 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 7 21.785 2.987 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.855 4.237 -4.829 1.00 0.00 H new ATOM 103 N ASN A 8 23.085 3.194 -9.149 1.00 0.00 N ATOM 104 CA ASN A 8 24.129 2.953 -10.139 1.00 0.00 C ATOM 105 C ASN A 8 25.203 2.024 -9.581 1.00 0.00 C ATOM 106 O ASN A 8 25.058 1.478 -8.486 1.00 0.00 O ATOM 107 CB ASN A 8 24.761 4.276 -10.576 1.00 0.00 C ATOM 108 CG ASN A 8 25.307 5.071 -9.406 1.00 0.00 C ATOM 109 OD1 ASN A 8 25.670 4.507 -8.373 1.00 0.00 O ATOM 110 ND2 ASN A 8 25.368 6.389 -9.563 1.00 0.00 N ATOM 0 H ASN A 8 23.230 4.025 -8.576 1.00 0.00 H new ATOM 0 HA ASN A 8 23.671 2.473 -11.004 1.00 0.00 H new ATOM 0 HB2 ASN A 8 25.566 4.075 -11.282 1.00 0.00 H new ATOM 0 HB3 ASN A 8 24.017 4.874 -11.103 1.00 0.00 H new ATOM 0 HD21 ASN A 8 25.727 6.976 -8.810 1.00 0.00 H new ATOM 0 HD22 ASN A 8 25.056 6.814 -10.436 1.00 0.00 H new ATOM 117 N ILE A 9 26.280 1.850 -10.340 1.00 0.00 N ATOM 118 CA ILE A 9 27.378 0.989 -9.920 1.00 0.00 C ATOM 119 C ILE A 9 27.963 1.452 -8.590 1.00 0.00 C ATOM 120 O ILE A 9 28.612 0.681 -7.884 1.00 0.00 O ATOM 121 CB ILE A 9 28.499 0.952 -10.976 1.00 0.00 C ATOM 122 CG1 ILE A 9 29.593 -0.033 -10.557 1.00 0.00 C ATOM 123 CG2 ILE A 9 29.081 2.343 -11.179 1.00 0.00 C ATOM 124 CD1 ILE A 9 30.356 -0.620 -11.723 1.00 0.00 C ATOM 0 H ILE A 9 26.415 2.294 -11.248 1.00 0.00 H new ATOM 0 HA ILE A 9 26.966 -0.013 -9.803 1.00 0.00 H new ATOM 0 HB ILE A 9 28.076 0.614 -11.922 1.00 0.00 H new ATOM 0 HG12 ILE A 9 30.293 0.475 -9.894 1.00 0.00 H new ATOM 0 HG13 ILE A 9 29.141 -0.843 -9.984 1.00 0.00 H new ATOM 0 HG21 ILE A 9 29.872 2.301 -11.928 1.00 0.00 H new ATOM 0 HG22 ILE A 9 28.296 3.020 -11.517 1.00 0.00 H new ATOM 0 HG23 ILE A 9 29.492 2.706 -10.237 1.00 0.00 H new ATOM 0 HD11 ILE A 9 31.115 -1.309 -11.352 1.00 0.00 H new ATOM 0 HD12 ILE A 9 29.667 -1.157 -12.375 1.00 0.00 H new ATOM 0 HD13 ILE A 9 30.837 0.182 -12.284 1.00 0.00 H new ATOM 136 N ASN A 10 27.727 2.716 -8.254 1.00 0.00 N ATOM 137 CA ASN A 10 28.230 3.282 -7.008 1.00 0.00 C ATOM 138 C ASN A 10 27.153 3.259 -5.927 1.00 0.00 C ATOM 139 O ASN A 10 27.273 3.931 -4.903 1.00 0.00 O ATOM 140 CB ASN A 10 28.712 4.717 -7.232 1.00 0.00 C ATOM 141 CG ASN A 10 30.176 4.780 -7.621 1.00 0.00 C ATOM 142 OD1 ASN A 10 30.875 3.767 -7.617 1.00 0.00 O ATOM 143 ND2 ASN A 10 30.647 5.975 -7.958 1.00 0.00 N ATOM 0 H ASN A 10 27.191 3.367 -8.827 1.00 0.00 H new ATOM 0 HA ASN A 10 29.069 2.672 -6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 10 28.111 5.182 -8.013 1.00 0.00 H new ATOM 0 HB3 ASN A 10 28.555 5.296 -6.322 1.00 0.00 H new ATOM 0 HD21 ASN A 10 31.625 6.080 -8.228 1.00 0.00 H new ATOM 0 HD22 ASN A 10 30.031 6.788 -7.947 1.00 0.00 H new ATOM 150 N GLU A 11 26.102 2.480 -6.163 1.00 0.00 N ATOM 151 CA GLU A 11 25.004 2.370 -5.210 1.00 0.00 C ATOM 152 C GLU A 11 24.369 3.733 -4.951 1.00 0.00 C ATOM 153 O GLU A 11 23.889 4.007 -3.852 1.00 0.00 O ATOM 154 CB GLU A 11 25.501 1.768 -3.893 1.00 0.00 C ATOM 155 CG GLU A 11 25.993 0.337 -4.026 1.00 0.00 C ATOM 156 CD GLU A 11 25.711 -0.493 -2.788 1.00 0.00 C ATOM 157 OE1 GLU A 11 25.701 0.081 -1.679 1.00 0.00 O ATOM 158 OE2 GLU A 11 25.502 -1.716 -2.929 1.00 0.00 O ATOM 0 H GLU A 11 25.988 1.916 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 11 24.248 1.713 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 11 26.309 2.386 -3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 11 24.694 1.799 -3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 11 25.516 -0.129 -4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 11 27.066 0.342 -4.219 1.00 0.00 H new ATOM 165 N ALA A 12 24.371 4.584 -5.972 1.00 0.00 N ATOM 166 CA ALA A 12 23.795 5.917 -5.857 1.00 0.00 C ATOM 167 C ALA A 12 22.421 5.981 -6.517 1.00 0.00 C ATOM 168 O ALA A 12 22.272 5.655 -7.695 1.00 0.00 O ATOM 169 CB ALA A 12 24.727 6.950 -6.473 1.00 0.00 C ATOM 0 H ALA A 12 24.766 4.373 -6.889 1.00 0.00 H new ATOM 0 HA ALA A 12 23.671 6.142 -4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 12 24.284 7.941 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 12 25.685 6.931 -5.954 1.00 0.00 H new ATOM 0 HB3 ALA A 12 24.881 6.719 -7.527 1.00 0.00 H new ATOM 175 N VAL A 13 21.420 6.402 -5.751 1.00 0.00 N ATOM 176 CA VAL A 13 20.059 6.509 -6.262 1.00 0.00 C ATOM 177 C VAL A 13 20.012 7.356 -7.528 1.00 0.00 C ATOM 178 O VAL A 13 20.244 8.565 -7.487 1.00 0.00 O ATOM 179 CB VAL A 13 19.112 7.121 -5.213 1.00 0.00 C ATOM 180 CG1 VAL A 13 17.818 7.582 -5.866 1.00 0.00 C ATOM 181 CG2 VAL A 13 18.831 6.121 -4.101 1.00 0.00 C ATOM 0 H VAL A 13 21.526 6.675 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 13 19.728 5.497 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 13 19.599 7.991 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.162 8.012 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 13 18.040 8.334 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.324 6.731 -6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 13 18.160 6.570 -3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 13 18.365 5.230 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.767 5.845 -3.615 1.00 0.00 H new ATOM 191 N ILE A 14 19.710 6.714 -8.652 1.00 0.00 N ATOM 192 CA ILE A 14 19.631 7.410 -9.931 1.00 0.00 C ATOM 193 C ILE A 14 18.194 7.471 -10.435 1.00 0.00 C ATOM 194 O ILE A 14 17.837 8.351 -11.218 1.00 0.00 O ATOM 195 CB ILE A 14 20.510 6.729 -10.997 1.00 0.00 C ATOM 196 CG1 ILE A 14 20.323 5.211 -10.949 1.00 0.00 C ATOM 197 CG2 ILE A 14 21.972 7.095 -10.792 1.00 0.00 C ATOM 198 CD1 ILE A 14 21.189 4.464 -11.939 1.00 0.00 C ATOM 0 H ILE A 14 19.516 5.714 -8.703 1.00 0.00 H new ATOM 0 HA ILE A 14 19.997 8.423 -9.763 1.00 0.00 H new ATOM 0 HB ILE A 14 20.202 7.084 -11.981 1.00 0.00 H new ATOM 0 HG12 ILE A 14 20.547 4.857 -9.943 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.277 4.976 -11.144 1.00 0.00 H new ATOM 0 HG21 ILE A 14 22.580 6.606 -11.553 1.00 0.00 H new ATOM 0 HG22 ILE A 14 22.091 8.176 -10.872 1.00 0.00 H new ATOM 0 HG23 ILE A 14 22.294 6.766 -9.804 1.00 0.00 H new ATOM 0 HD11 ILE A 14 21.004 3.394 -11.849 1.00 0.00 H new ATOM 0 HD12 ILE A 14 20.949 4.790 -12.951 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.239 4.669 -11.731 1.00 0.00 H new ATOM 210 N ALA A 15 17.372 6.530 -9.981 1.00 0.00 N ATOM 211 CA ALA A 15 15.972 6.479 -10.383 1.00 0.00 C ATOM 212 C ALA A 15 15.063 6.260 -9.179 1.00 0.00 C ATOM 213 O ALA A 15 15.493 5.739 -8.149 1.00 0.00 O ATOM 214 CB ALA A 15 15.759 5.381 -11.414 1.00 0.00 C ATOM 0 H ALA A 15 17.652 5.793 -9.334 1.00 0.00 H new ATOM 0 HA ALA A 15 15.713 7.438 -10.831 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.709 5.354 -11.705 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.374 5.581 -12.291 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.041 4.419 -10.985 1.00 0.00 H new ATOM 220 N THR A 16 13.803 6.661 -9.314 1.00 0.00 N ATOM 221 CA THR A 16 12.833 6.510 -8.236 1.00 0.00 C ATOM 222 C THR A 16 11.424 6.319 -8.787 1.00 0.00 C ATOM 223 O THR A 16 11.071 6.879 -9.823 1.00 0.00 O ATOM 224 CB THR A 16 12.843 7.731 -7.297 1.00 0.00 C ATOM 225 OG1 THR A 16 12.738 8.938 -8.060 1.00 0.00 O ATOM 226 CG2 THR A 16 14.115 7.761 -6.462 1.00 0.00 C ATOM 0 H THR A 16 13.430 7.093 -10.159 1.00 0.00 H new ATOM 0 HA THR A 16 13.123 5.624 -7.672 1.00 0.00 H new ATOM 0 HB THR A 16 11.988 7.652 -6.625 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.743 9.709 -7.455 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.100 8.632 -5.807 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.176 6.855 -5.860 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.981 7.818 -7.121 1.00 0.00 H new ATOM 234 N GLY A 17 10.623 5.523 -8.086 1.00 0.00 N ATOM 235 CA GLY A 17 9.261 5.273 -8.520 1.00 0.00 C ATOM 236 C GLY A 17 8.442 4.546 -7.472 1.00 0.00 C ATOM 237 O GLY A 17 8.973 4.114 -6.448 1.00 0.00 O ATOM 0 H GLY A 17 10.893 5.047 -7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.780 6.221 -8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.278 4.684 -9.437 1.00 0.00 H new ATOM 241 N CYS A 18 7.145 4.411 -7.725 1.00 0.00 N ATOM 242 CA CYS A 18 6.250 3.734 -6.795 1.00 0.00 C ATOM 243 C CYS A 18 5.684 2.459 -7.415 1.00 0.00 C ATOM 244 O CYS A 18 5.308 2.440 -8.587 1.00 0.00 O ATOM 245 CB CYS A 18 5.107 4.665 -6.385 1.00 0.00 C ATOM 246 SG CYS A 18 3.811 3.858 -5.391 1.00 0.00 S ATOM 0 H CYS A 18 6.690 4.762 -8.568 1.00 0.00 H new ATOM 0 HA CYS A 18 6.825 3.463 -5.909 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.518 5.500 -5.817 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.653 5.083 -7.283 1.00 0.00 H new ATOM 251 N VAL A 19 5.627 1.396 -6.620 1.00 0.00 N ATOM 252 CA VAL A 19 5.106 0.117 -7.089 1.00 0.00 C ATOM 253 C VAL A 19 3.942 -0.353 -6.225 1.00 0.00 C ATOM 254 O VAL A 19 4.001 -0.332 -4.995 1.00 0.00 O ATOM 255 CB VAL A 19 6.200 -0.967 -7.092 1.00 0.00 C ATOM 256 CG1 VAL A 19 5.640 -2.289 -7.594 1.00 0.00 C ATOM 257 CG2 VAL A 19 7.385 -0.526 -7.938 1.00 0.00 C ATOM 0 H VAL A 19 5.935 1.395 -5.648 1.00 0.00 H new ATOM 0 HA VAL A 19 4.756 0.273 -8.110 1.00 0.00 H new ATOM 0 HB VAL A 19 6.547 -1.111 -6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.427 -3.043 -7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.826 -2.610 -6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.265 -2.163 -8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.148 -1.304 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.056 -0.353 -8.963 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.801 0.395 -7.530 1.00 0.00 H new ATOM 267 N PRO A 20 2.856 -0.789 -6.880 1.00 0.00 N ATOM 268 CA PRO A 20 1.657 -1.274 -6.191 1.00 0.00 C ATOM 269 C PRO A 20 1.890 -2.608 -5.491 1.00 0.00 C ATOM 270 O PRO A 20 3.004 -3.131 -5.487 1.00 0.00 O ATOM 271 CB PRO A 20 0.638 -1.435 -7.322 1.00 0.00 C ATOM 272 CG PRO A 20 1.461 -1.647 -8.546 1.00 0.00 C ATOM 273 CD PRO A 20 2.716 -0.843 -8.345 1.00 0.00 C ATOM 0 HA PRO A 20 1.336 -0.592 -5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.025 -2.280 -7.140 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.008 -0.550 -7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.692 -2.703 -8.683 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.926 -1.319 -9.438 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.577 -1.319 -8.814 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.628 0.154 -8.777 1.00 0.00 H new ATOM 281 N ALA A 21 0.833 -3.154 -4.899 1.00 0.00 N ATOM 282 CA ALA A 21 0.922 -4.429 -4.198 1.00 0.00 C ATOM 283 C ALA A 21 0.752 -5.598 -5.161 1.00 0.00 C ATOM 284 O ALA A 21 -0.287 -5.740 -5.804 1.00 0.00 O ATOM 285 CB ALA A 21 -0.120 -4.497 -3.092 1.00 0.00 C ATOM 0 H ALA A 21 -0.096 -2.733 -4.891 1.00 0.00 H new ATOM 0 HA ALA A 21 1.914 -4.502 -3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.042 -5.454 -2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.050 -3.688 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.116 -4.397 -3.524 1.00 0.00 H new ATOM 291 N GLY A 22 1.781 -6.435 -5.257 1.00 0.00 N ATOM 292 CA GLY A 22 1.725 -7.582 -6.145 1.00 0.00 C ATOM 293 C GLY A 22 1.775 -7.185 -7.607 1.00 0.00 C ATOM 294 O GLY A 22 1.512 -8.002 -8.489 1.00 0.00 O ATOM 0 H GLY A 22 2.652 -6.339 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.558 -8.250 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.809 -8.141 -5.954 1.00 0.00 H new ATOM 298 N GLY A 23 2.113 -5.926 -7.866 1.00 0.00 N ATOM 299 CA GLY A 23 2.190 -5.444 -9.233 1.00 0.00 C ATOM 300 C GLY A 23 3.604 -5.086 -9.644 1.00 0.00 C ATOM 301 O GLY A 23 4.558 -5.379 -8.924 1.00 0.00 O ATOM 0 H GLY A 23 2.335 -5.231 -7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.802 -6.208 -9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.551 -4.568 -9.342 1.00 0.00 H new ATOM 305 N GLU A 24 3.739 -4.452 -10.804 1.00 0.00 N ATOM 306 CA GLU A 24 5.049 -4.057 -11.310 1.00 0.00 C ATOM 307 C GLU A 24 4.981 -2.690 -11.986 1.00 0.00 C ATOM 308 O GLU A 24 3.964 -2.328 -12.578 1.00 0.00 O ATOM 309 CB GLU A 24 5.576 -5.101 -12.297 1.00 0.00 C ATOM 310 CG GLU A 24 5.363 -6.534 -11.839 1.00 0.00 C ATOM 311 CD GLU A 24 4.107 -7.152 -12.422 1.00 0.00 C ATOM 312 OE1 GLU A 24 3.266 -6.399 -12.954 1.00 0.00 O ATOM 313 OE2 GLU A 24 3.967 -8.391 -12.345 1.00 0.00 O ATOM 0 H GLU A 24 2.959 -4.201 -11.411 1.00 0.00 H new ATOM 0 HA GLU A 24 5.732 -3.991 -10.463 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.085 -4.959 -13.260 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.641 -4.934 -12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.226 -7.135 -12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.304 -6.559 -10.751 1.00 0.00 H new ATOM 320 N LEU A 25 6.070 -1.936 -11.892 1.00 0.00 N ATOM 321 CA LEU A 25 6.136 -0.609 -12.494 1.00 0.00 C ATOM 322 C LEU A 25 7.534 -0.324 -13.034 1.00 0.00 C ATOM 323 O LEU A 25 8.530 -0.789 -12.481 1.00 0.00 O ATOM 324 CB LEU A 25 5.746 0.457 -11.468 1.00 0.00 C ATOM 325 CG LEU A 25 4.610 1.397 -11.875 1.00 0.00 C ATOM 326 CD1 LEU A 25 3.551 1.456 -10.786 1.00 0.00 C ATOM 327 CD2 LEU A 25 5.150 2.788 -12.173 1.00 0.00 C ATOM 0 H LEU A 25 6.920 -2.221 -11.405 1.00 0.00 H new ATOM 0 HA LEU A 25 5.433 -0.579 -13.326 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.462 -0.045 -10.543 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.627 1.059 -11.247 1.00 0.00 H new ATOM 0 HG LEU A 25 4.148 1.007 -12.782 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.751 2.129 -11.093 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.143 0.459 -10.621 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.999 1.822 -9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.328 3.443 -12.461 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.638 3.187 -11.284 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.871 2.731 -12.988 1.00 0.00 H new ATOM 339 N ARG A 26 7.599 0.445 -14.116 1.00 0.00 N ATOM 340 CA ARG A 26 8.874 0.792 -14.730 1.00 0.00 C ATOM 341 C ARG A 26 9.371 2.144 -14.225 1.00 0.00 C ATOM 342 O ARG A 26 8.585 3.072 -14.033 1.00 0.00 O ATOM 343 CB ARG A 26 8.739 0.824 -16.254 1.00 0.00 C ATOM 344 CG ARG A 26 9.900 1.512 -16.954 1.00 0.00 C ATOM 345 CD ARG A 26 9.563 2.953 -17.305 1.00 0.00 C ATOM 346 NE ARG A 26 8.621 3.040 -18.417 1.00 0.00 N ATOM 347 CZ ARG A 26 8.933 2.731 -19.671 1.00 0.00 C ATOM 348 NH1 ARG A 26 10.156 2.318 -19.970 1.00 0.00 N ATOM 349 NH2 ARG A 26 8.020 2.836 -20.628 1.00 0.00 N ATOM 0 H ARG A 26 6.784 0.839 -14.585 1.00 0.00 H new ATOM 0 HA ARG A 26 9.601 0.029 -14.452 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.656 -0.198 -16.625 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.813 1.335 -16.518 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.780 1.489 -16.311 1.00 0.00 H new ATOM 0 HG3 ARG A 26 10.155 0.965 -17.862 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.140 3.449 -16.432 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.478 3.487 -17.562 1.00 0.00 H new ATOM 0 HE ARG A 26 7.671 3.355 -18.220 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.860 2.237 -19.237 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.393 2.081 -20.933 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.078 3.154 -20.401 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.260 2.599 -21.590 1.00 0.00 H new ATOM 363 N ILE A 27 10.678 2.246 -14.011 1.00 0.00 N ATOM 364 CA ILE A 27 11.279 3.483 -13.529 1.00 0.00 C ATOM 365 C ILE A 27 12.309 4.016 -14.519 1.00 0.00 C ATOM 366 O ILE A 27 13.108 3.257 -15.069 1.00 0.00 O ATOM 367 CB ILE A 27 11.954 3.285 -12.159 1.00 0.00 C ATOM 368 CG1 ILE A 27 10.971 2.658 -11.168 1.00 0.00 C ATOM 369 CG2 ILE A 27 12.475 4.612 -11.628 1.00 0.00 C ATOM 370 CD1 ILE A 27 11.591 2.330 -9.828 1.00 0.00 C ATOM 0 H ILE A 27 11.341 1.486 -14.164 1.00 0.00 H new ATOM 0 HA ILE A 27 10.471 4.207 -13.425 1.00 0.00 H new ATOM 0 HB ILE A 27 12.799 2.608 -12.282 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.136 3.342 -11.015 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.561 1.746 -11.603 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.949 4.455 -10.659 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.204 5.022 -12.327 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.646 5.310 -11.517 1.00 0.00 H new ATOM 0 HD11 ILE A 27 10.837 1.889 -9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.408 1.622 -9.969 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.976 3.242 -9.372 1.00 0.00 H new ATOM 382 N PHE A 28 12.288 5.326 -14.739 1.00 0.00 N ATOM 383 CA PHE A 28 13.221 5.962 -15.662 1.00 0.00 C ATOM 384 C PHE A 28 14.604 6.095 -15.031 1.00 0.00 C ATOM 385 O PHE A 28 14.785 6.816 -14.050 1.00 0.00 O ATOM 386 CB PHE A 28 12.702 7.341 -16.076 1.00 0.00 C ATOM 387 CG PHE A 28 11.215 7.385 -16.281 1.00 0.00 C ATOM 388 CD1 PHE A 28 10.635 6.766 -17.376 1.00 0.00 C ATOM 389 CD2 PHE A 28 10.398 8.047 -15.379 1.00 0.00 C ATOM 390 CE1 PHE A 28 9.267 6.805 -17.568 1.00 0.00 C ATOM 391 CE2 PHE A 28 9.029 8.088 -15.565 1.00 0.00 C ATOM 392 CZ PHE A 28 8.463 7.468 -16.662 1.00 0.00 C ATOM 0 H PHE A 28 11.635 5.968 -14.291 1.00 0.00 H new ATOM 0 HA PHE A 28 13.304 5.332 -16.548 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.977 8.068 -15.312 1.00 0.00 H new ATOM 0 HB3 PHE A 28 13.197 7.645 -16.998 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.259 6.247 -18.088 1.00 0.00 H new ATOM 0 HD2 PHE A 28 10.835 8.536 -14.521 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.827 6.318 -18.426 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.402 8.604 -14.853 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.394 7.502 -16.811 1.00 0.00 H new ATOM 402 N VAL A 29 15.578 5.393 -15.601 1.00 0.00 N ATOM 403 CA VAL A 29 16.945 5.431 -15.097 1.00 0.00 C ATOM 404 C VAL A 29 17.937 5.724 -16.217 1.00 0.00 C ATOM 405 O VAL A 29 18.100 4.926 -17.140 1.00 0.00 O ATOM 406 CB VAL A 29 17.331 4.103 -14.418 1.00 0.00 C ATOM 407 CG1 VAL A 29 17.038 2.928 -15.339 1.00 0.00 C ATOM 408 CG2 VAL A 29 18.796 4.120 -14.010 1.00 0.00 C ATOM 0 H VAL A 29 15.445 4.790 -16.413 1.00 0.00 H new ATOM 0 HA VAL A 29 16.987 6.233 -14.360 1.00 0.00 H new ATOM 0 HB VAL A 29 16.729 3.986 -13.517 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.317 1.998 -14.843 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.974 2.908 -15.576 1.00 0.00 H new ATOM 0 HG13 VAL A 29 17.613 3.035 -16.259 1.00 0.00 H new ATOM 0 HG21 VAL A 29 19.052 3.174 -13.532 1.00 0.00 H new ATOM 0 HG22 VAL A 29 19.418 4.260 -14.894 1.00 0.00 H new ATOM 0 HG23 VAL A 29 18.970 4.938 -13.311 1.00 0.00 H new ATOM 464 N SER A 34 15.328 2.833 -18.664 1.00 0.00 N ATOM 465 CA SER A 34 14.398 2.495 -17.593 1.00 0.00 C ATOM 466 C SER A 34 14.455 1.004 -17.274 1.00 0.00 C ATOM 467 O SER A 34 14.927 0.203 -18.082 1.00 0.00 O ATOM 468 CB SER A 34 12.972 2.890 -17.983 1.00 0.00 C ATOM 469 OG SER A 34 12.936 3.447 -19.286 1.00 0.00 O ATOM 0 HA SER A 34 14.691 3.051 -16.702 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.324 2.015 -17.940 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.582 3.611 -17.265 1.00 0.00 H new ATOM 0 HG SER A 34 13.848 3.650 -19.580 1.00 0.00 H new ATOM 475 N TYR A 35 13.971 0.639 -16.092 1.00 0.00 N ATOM 476 CA TYR A 35 13.969 -0.755 -15.664 1.00 0.00 C ATOM 477 C TYR A 35 12.678 -1.096 -14.926 1.00 0.00 C ATOM 478 O TYR A 35 12.200 -0.322 -14.096 1.00 0.00 O ATOM 479 CB TYR A 35 15.173 -1.036 -14.765 1.00 0.00 C ATOM 480 CG TYR A 35 16.333 -1.682 -15.489 1.00 0.00 C ATOM 481 CD1 TYR A 35 16.151 -2.833 -16.245 1.00 0.00 C ATOM 482 CD2 TYR A 35 17.610 -1.139 -15.419 1.00 0.00 C ATOM 483 CE1 TYR A 35 17.207 -3.427 -16.908 1.00 0.00 C ATOM 484 CE2 TYR A 35 18.672 -1.725 -16.080 1.00 0.00 C ATOM 485 CZ TYR A 35 18.466 -2.869 -16.822 1.00 0.00 C ATOM 486 OH TYR A 35 19.521 -3.457 -17.482 1.00 0.00 O ATOM 0 H TYR A 35 13.575 1.289 -15.413 1.00 0.00 H new ATOM 0 HA TYR A 35 14.034 -1.382 -16.553 1.00 0.00 H new ATOM 0 HB2 TYR A 35 15.510 -0.100 -14.320 1.00 0.00 H new ATOM 0 HB3 TYR A 35 14.861 -1.684 -13.946 1.00 0.00 H new ATOM 0 HD1 TYR A 35 15.166 -3.271 -16.316 1.00 0.00 H new ATOM 0 HD2 TYR A 35 17.775 -0.244 -14.838 1.00 0.00 H new ATOM 0 HE1 TYR A 35 17.048 -4.323 -17.490 1.00 0.00 H new ATOM 0 HE2 TYR A 35 19.658 -1.290 -16.016 1.00 0.00 H new ATOM 0 HH TYR A 35 19.414 -4.431 -17.467 1.00 0.00 H new ATOM 496 N LEU A 36 12.118 -2.260 -15.235 1.00 0.00 N ATOM 497 CA LEU A 36 10.882 -2.707 -14.601 1.00 0.00 C ATOM 498 C LEU A 36 11.157 -3.278 -13.214 1.00 0.00 C ATOM 499 O LEU A 36 12.036 -4.123 -13.043 1.00 0.00 O ATOM 500 CB LEU A 36 10.191 -3.759 -15.470 1.00 0.00 C ATOM 501 CG LEU A 36 8.902 -4.356 -14.904 1.00 0.00 C ATOM 502 CD1 LEU A 36 7.929 -3.254 -14.515 1.00 0.00 C ATOM 503 CD2 LEU A 36 8.265 -5.301 -15.912 1.00 0.00 C ATOM 0 H LEU A 36 12.500 -2.912 -15.921 1.00 0.00 H new ATOM 0 HA LEU A 36 10.225 -1.844 -14.495 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.966 -3.311 -16.438 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.895 -4.571 -15.651 1.00 0.00 H new ATOM 0 HG LEU A 36 9.151 -4.925 -14.008 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.018 -3.698 -14.114 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.385 -2.616 -13.758 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.686 -2.657 -15.394 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.349 -5.717 -15.493 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.031 -4.754 -16.825 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.959 -6.110 -16.141 1.00 0.00 H new ATOM 515 N ILE A 37 10.399 -2.812 -12.227 1.00 0.00 N ATOM 516 CA ILE A 37 10.559 -3.279 -10.855 1.00 0.00 C ATOM 517 C ILE A 37 9.241 -3.804 -10.296 1.00 0.00 C ATOM 518 O ILE A 37 8.254 -3.073 -10.214 1.00 0.00 O ATOM 519 CB ILE A 37 11.084 -2.160 -9.937 1.00 0.00 C ATOM 520 CG1 ILE A 37 12.242 -1.420 -10.610 1.00 0.00 C ATOM 521 CG2 ILE A 37 11.522 -2.735 -8.599 1.00 0.00 C ATOM 522 CD1 ILE A 37 13.464 -2.283 -10.830 1.00 0.00 C ATOM 0 H ILE A 37 9.668 -2.112 -12.352 1.00 0.00 H new ATOM 0 HA ILE A 37 11.288 -4.089 -10.880 1.00 0.00 H new ATOM 0 HB ILE A 37 10.278 -1.448 -9.758 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.904 -1.031 -11.571 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.519 -0.562 -9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.891 -1.932 -7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.674 -3.221 -8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.316 -3.465 -8.759 1.00 0.00 H new ATOM 0 HD11 ILE A 37 14.244 -1.693 -11.311 1.00 0.00 H new ATOM 0 HD12 ILE A 37 13.827 -2.651 -9.870 1.00 0.00 H new ATOM 0 HD13 ILE A 37 13.203 -3.128 -11.468 1.00 0.00 H new ATOM 534 N LYS A 38 9.233 -5.075 -9.910 1.00 0.00 N ATOM 535 CA LYS A 38 8.038 -5.699 -9.354 1.00 0.00 C ATOM 536 C LYS A 38 8.068 -5.671 -7.830 1.00 0.00 C ATOM 537 O LYS A 38 9.129 -5.522 -7.223 1.00 0.00 O ATOM 538 CB LYS A 38 7.915 -7.143 -9.846 1.00 0.00 C ATOM 539 CG LYS A 38 8.604 -8.153 -8.945 1.00 0.00 C ATOM 540 CD LYS A 38 8.553 -9.552 -9.534 1.00 0.00 C ATOM 541 CE LYS A 38 7.120 -10.031 -9.710 1.00 0.00 C ATOM 542 NZ LYS A 38 7.043 -11.511 -9.851 1.00 0.00 N ATOM 0 H LYS A 38 10.041 -5.694 -9.972 1.00 0.00 H new ATOM 0 HA LYS A 38 7.172 -5.131 -9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.859 -7.402 -9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.338 -7.214 -10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.643 -7.858 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.127 -8.152 -7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.062 -9.561 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.091 -10.242 -8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.524 -9.716 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.685 -9.559 -10.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.050 -11.797 -9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.590 -11.809 -10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.435 -11.962 -8.999 1.00 0.00 H new ATOM 556 N ALA A 39 6.898 -5.816 -7.216 1.00 0.00 N ATOM 557 CA ALA A 39 6.792 -5.811 -5.762 1.00 0.00 C ATOM 558 C ALA A 39 5.936 -6.972 -5.270 1.00 0.00 C ATOM 559 O ALA A 39 4.745 -7.053 -5.575 1.00 0.00 O ATOM 560 CB ALA A 39 6.217 -4.487 -5.280 1.00 0.00 C ATOM 0 H ALA A 39 6.010 -5.938 -7.703 1.00 0.00 H new ATOM 0 HA ALA A 39 7.793 -5.932 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.143 -4.497 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.870 -3.672 -5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.226 -4.343 -5.710 1.00 0.00 H new ATOM 566 N THR A 40 6.549 -7.872 -4.508 1.00 0.00 N ATOM 567 CA THR A 40 5.843 -9.031 -3.975 1.00 0.00 C ATOM 568 C THR A 40 5.070 -8.671 -2.711 1.00 0.00 C ATOM 569 O THR A 40 5.145 -7.541 -2.228 1.00 0.00 O ATOM 570 CB THR A 40 6.815 -10.184 -3.658 1.00 0.00 C ATOM 571 OG1 THR A 40 6.083 -11.335 -3.222 1.00 0.00 O ATOM 572 CG2 THR A 40 7.810 -9.772 -2.584 1.00 0.00 C ATOM 0 H THR A 40 7.533 -7.821 -4.246 1.00 0.00 H new ATOM 0 HA THR A 40 5.143 -9.356 -4.745 1.00 0.00 H new ATOM 0 HB THR A 40 7.366 -10.427 -4.567 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.115 -11.392 -2.244 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.486 -10.602 -2.377 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.385 -8.913 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.273 -9.505 -1.674 1.00 0.00 H new ATOM 580 N SER A 41 4.329 -9.638 -2.181 1.00 0.00 N ATOM 581 CA SER A 41 3.540 -9.422 -0.974 1.00 0.00 C ATOM 582 C SER A 41 4.425 -8.959 0.179 1.00 0.00 C ATOM 583 O SER A 41 3.956 -8.313 1.116 1.00 0.00 O ATOM 584 CB SER A 41 2.804 -10.705 -0.583 1.00 0.00 C ATOM 585 OG SER A 41 1.474 -10.700 -1.074 1.00 0.00 O ATOM 0 H SER A 41 4.258 -10.579 -2.568 1.00 0.00 H new ATOM 0 HA SER A 41 2.809 -8.641 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.338 -11.569 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.794 -10.806 0.502 1.00 0.00 H new ATOM 0 HG SER A 41 1.026 -11.531 -0.812 1.00 0.00 H new ATOM 591 N SER A 42 5.709 -9.294 0.102 1.00 0.00 N ATOM 592 CA SER A 42 6.661 -8.917 1.140 1.00 0.00 C ATOM 593 C SER A 42 7.310 -7.574 0.820 1.00 0.00 C ATOM 594 O SER A 42 8.310 -7.193 1.429 1.00 0.00 O ATOM 595 CB SER A 42 7.738 -9.993 1.290 1.00 0.00 C ATOM 596 OG SER A 42 7.731 -10.544 2.596 1.00 0.00 O ATOM 0 H SER A 42 6.114 -9.826 -0.669 1.00 0.00 H new ATOM 0 HA SER A 42 6.117 -8.824 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.571 -10.783 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.717 -9.564 1.078 1.00 0.00 H new ATOM 0 HG SER A 42 8.427 -11.230 2.665 1.00 0.00 H new ATOM 602 N CYS A 43 6.732 -6.859 -0.139 1.00 0.00 N ATOM 603 CA CYS A 43 7.252 -5.558 -0.543 1.00 0.00 C ATOM 604 C CYS A 43 8.650 -5.692 -1.140 1.00 0.00 C ATOM 605 O CYS A 43 9.370 -4.706 -1.291 1.00 0.00 O ATOM 606 CB CYS A 43 7.287 -4.606 0.654 1.00 0.00 C ATOM 607 SG CYS A 43 6.137 -3.199 0.519 1.00 0.00 S ATOM 0 H CYS A 43 5.903 -7.159 -0.651 1.00 0.00 H new ATOM 0 HA CYS A 43 6.588 -5.150 -1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.053 -5.168 1.558 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.301 -4.223 0.771 1.00 0.00 H new ATOM 612 N GLY A 44 9.028 -6.921 -1.478 1.00 0.00 N ATOM 613 CA GLY A 44 10.338 -7.163 -2.055 1.00 0.00 C ATOM 614 C GLY A 44 10.412 -6.759 -3.514 1.00 0.00 C ATOM 615 O GLY A 44 9.475 -6.992 -4.279 1.00 0.00 O ATOM 0 H GLY A 44 8.450 -7.754 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.088 -6.610 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.583 -8.221 -1.961 1.00 0.00 H new ATOM 619 N LEU A 45 11.528 -6.151 -3.902 1.00 0.00 N ATOM 620 CA LEU A 45 11.720 -5.712 -5.279 1.00 0.00 C ATOM 621 C LEU A 45 12.505 -6.749 -6.077 1.00 0.00 C ATOM 622 O LEU A 45 13.326 -7.481 -5.524 1.00 0.00 O ATOM 623 CB LEU A 45 12.452 -4.369 -5.310 1.00 0.00 C ATOM 624 CG LEU A 45 11.891 -3.278 -4.397 1.00 0.00 C ATOM 625 CD1 LEU A 45 12.463 -1.920 -4.774 1.00 0.00 C ATOM 626 CD2 LEU A 45 10.370 -3.256 -4.466 1.00 0.00 C ATOM 0 H LEU A 45 12.313 -5.951 -3.282 1.00 0.00 H new ATOM 0 HA LEU A 45 10.738 -5.595 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.494 -4.540 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.444 -3.997 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 45 12.186 -3.501 -3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.052 -1.156 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.548 -1.942 -4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.199 -1.688 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.987 -2.474 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.055 -3.057 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.977 -4.221 -4.147 1.00 0.00 H new ATOM 638 N SER A 46 12.247 -6.805 -7.380 1.00 0.00 N ATOM 639 CA SER A 46 12.928 -7.754 -8.253 1.00 0.00 C ATOM 640 C SER A 46 12.532 -7.531 -9.710 1.00 0.00 C ATOM 641 O SER A 46 11.429 -7.066 -10.002 1.00 0.00 O ATOM 642 CB SER A 46 12.599 -9.189 -7.837 1.00 0.00 C ATOM 643 OG SER A 46 13.648 -9.750 -7.068 1.00 0.00 O ATOM 0 H SER A 46 11.572 -6.205 -7.854 1.00 0.00 H new ATOM 0 HA SER A 46 14.002 -7.593 -8.157 1.00 0.00 H new ATOM 0 HB2 SER A 46 11.674 -9.201 -7.260 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.429 -9.798 -8.725 1.00 0.00 H new ATOM 0 HG SER A 46 13.868 -9.148 -6.327 1.00 0.00 H new ATOM 649 N LEU A 47 13.439 -7.866 -10.621 1.00 0.00 N ATOM 650 CA LEU A 47 13.187 -7.704 -12.048 1.00 0.00 C ATOM 651 C LEU A 47 12.095 -8.659 -12.521 1.00 0.00 C ATOM 652 O LEU A 47 11.836 -9.685 -11.890 1.00 0.00 O ATOM 653 CB LEU A 47 14.471 -7.944 -12.844 1.00 0.00 C ATOM 654 CG LEU A 47 15.181 -6.695 -13.365 1.00 0.00 C ATOM 655 CD1 LEU A 47 14.244 -5.871 -14.234 1.00 0.00 C ATOM 656 CD2 LEU A 47 15.710 -5.860 -12.207 1.00 0.00 C ATOM 0 H LEU A 47 14.356 -8.252 -10.396 1.00 0.00 H new ATOM 0 HA LEU A 47 12.848 -6.682 -12.218 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.167 -8.497 -12.214 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.234 -8.584 -13.694 1.00 0.00 H new ATOM 0 HG LEU A 47 16.027 -7.010 -13.976 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.767 -4.986 -14.596 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.914 -6.470 -15.083 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.378 -5.566 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 47 16.213 -4.975 -12.597 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.880 -5.555 -11.569 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.417 -6.452 -11.625 1.00 0.00 H new ATOM 668 N THR A 48 11.459 -8.317 -13.637 1.00 0.00 N ATOM 669 CA THR A 48 10.397 -9.145 -14.195 1.00 0.00 C ATOM 670 C THR A 48 10.864 -9.863 -15.455 1.00 0.00 C ATOM 671 O THR A 48 10.654 -9.384 -16.568 1.00 0.00 O ATOM 672 CB THR A 48 9.148 -8.306 -14.529 1.00 0.00 C ATOM 673 OG1 THR A 48 8.954 -7.299 -13.530 1.00 0.00 O ATOM 674 CG2 THR A 48 7.912 -9.188 -14.615 1.00 0.00 C ATOM 0 H THR A 48 11.661 -7.472 -14.172 1.00 0.00 H new ATOM 0 HA THR A 48 10.139 -9.882 -13.435 1.00 0.00 H new ATOM 0 HB THR A 48 9.304 -7.831 -15.498 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.080 -6.875 -13.659 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.043 -8.574 -14.852 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.052 -9.935 -15.396 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.754 -9.687 -13.659 1.00 0.00 H new ATOM 682 N ASN A 49 11.499 -11.017 -15.272 1.00 0.00 N ATOM 683 CA ASN A 49 11.996 -11.802 -16.396 1.00 0.00 C ATOM 684 C ASN A 49 13.068 -11.034 -17.164 1.00 0.00 C ATOM 685 O ASN A 49 13.288 -11.277 -18.351 1.00 0.00 O ATOM 686 CB ASN A 49 10.846 -12.173 -17.335 1.00 0.00 C ATOM 687 CG ASN A 49 10.820 -13.654 -17.660 1.00 0.00 C ATOM 688 OD1 ASN A 49 11.841 -14.240 -18.019 1.00 0.00 O ATOM 689 ND2 ASN A 49 9.648 -14.266 -17.535 1.00 0.00 N ATOM 0 H ASN A 49 11.681 -11.428 -14.357 1.00 0.00 H new ATOM 0 HA ASN A 49 12.441 -12.715 -16.001 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.899 -11.888 -16.876 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.937 -11.602 -18.259 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.568 -15.262 -17.740 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.828 -13.740 -17.234 1.00 0.00 H new ATOM 696 N GLN A 50 13.730 -10.108 -16.479 1.00 0.00 N ATOM 697 CA GLN A 50 14.778 -9.305 -17.098 1.00 0.00 C ATOM 698 C GLN A 50 16.006 -9.225 -16.197 1.00 0.00 C ATOM 699 O GLN A 50 15.980 -9.680 -15.053 1.00 0.00 O ATOM 700 CB GLN A 50 14.261 -7.897 -17.400 1.00 0.00 C ATOM 701 CG GLN A 50 13.740 -7.732 -18.819 1.00 0.00 C ATOM 702 CD GLN A 50 14.832 -7.355 -19.801 1.00 0.00 C ATOM 703 OE1 GLN A 50 15.857 -8.031 -19.896 1.00 0.00 O ATOM 704 NE2 GLN A 50 14.618 -6.272 -20.538 1.00 0.00 N ATOM 0 H GLN A 50 13.560 -9.895 -15.496 1.00 0.00 H new ATOM 0 HA GLN A 50 15.065 -9.787 -18.032 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.463 -7.653 -16.698 1.00 0.00 H new ATOM 0 HB3 GLN A 50 15.064 -7.180 -17.231 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.272 -8.663 -19.141 1.00 0.00 H new ATOM 0 HG3 GLN A 50 12.965 -6.965 -18.831 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.754 -5.742 -20.426 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.318 -5.970 -21.216 1.00 0.00 H new ATOM 713 N VAL A 51 17.082 -8.644 -16.720 1.00 0.00 N ATOM 714 CA VAL A 51 18.320 -8.504 -15.962 1.00 0.00 C ATOM 715 C VAL A 51 18.780 -7.051 -15.926 1.00 0.00 C ATOM 716 O VAL A 51 18.340 -6.229 -16.729 1.00 0.00 O ATOM 717 CB VAL A 51 19.443 -9.372 -16.559 1.00 0.00 C ATOM 718 CG1 VAL A 51 19.053 -10.842 -16.534 1.00 0.00 C ATOM 719 CG2 VAL A 51 19.770 -8.922 -17.974 1.00 0.00 C ATOM 0 H VAL A 51 17.121 -8.263 -17.665 1.00 0.00 H new ATOM 0 HA VAL A 51 18.111 -8.841 -14.947 1.00 0.00 H new ATOM 0 HB VAL A 51 20.337 -9.248 -15.948 1.00 0.00 H new ATOM 0 HG11 VAL A 51 19.859 -11.440 -16.960 1.00 0.00 H new ATOM 0 HG12 VAL A 51 18.875 -11.154 -15.505 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.145 -10.988 -17.119 1.00 0.00 H new ATOM 0 HG21 VAL A 51 20.566 -9.547 -18.380 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.882 -9.014 -18.599 1.00 0.00 H new ATOM 0 HG23 VAL A 51 20.097 -7.882 -17.959 1.00 0.00 H new ATOM 729 N PHE A 52 19.669 -6.742 -14.988 1.00 0.00 N ATOM 730 CA PHE A 52 20.190 -5.387 -14.845 1.00 0.00 C ATOM 731 C PHE A 52 21.537 -5.245 -15.548 1.00 0.00 C ATOM 732 O PHE A 52 22.085 -6.220 -16.063 1.00 0.00 O ATOM 733 CB PHE A 52 20.333 -5.026 -13.365 1.00 0.00 C ATOM 734 CG PHE A 52 21.540 -5.636 -12.713 1.00 0.00 C ATOM 735 CD1 PHE A 52 22.765 -4.990 -12.752 1.00 0.00 C ATOM 736 CD2 PHE A 52 21.450 -6.856 -12.063 1.00 0.00 C ATOM 737 CE1 PHE A 52 23.879 -5.549 -12.152 1.00 0.00 C ATOM 738 CE2 PHE A 52 22.560 -7.420 -11.462 1.00 0.00 C ATOM 739 CZ PHE A 52 23.776 -6.766 -11.507 1.00 0.00 C ATOM 0 H PHE A 52 20.044 -7.411 -14.316 1.00 0.00 H new ATOM 0 HA PHE A 52 19.483 -4.702 -15.312 1.00 0.00 H new ATOM 0 HB2 PHE A 52 20.386 -3.942 -13.267 1.00 0.00 H new ATOM 0 HB3 PHE A 52 19.439 -5.351 -12.832 1.00 0.00 H new ATOM 0 HD1 PHE A 52 22.851 -4.039 -13.257 1.00 0.00 H new ATOM 0 HD2 PHE A 52 20.502 -7.372 -12.025 1.00 0.00 H new ATOM 0 HE1 PHE A 52 24.828 -5.035 -12.188 1.00 0.00 H new ATOM 0 HE2 PHE A 52 22.476 -8.371 -10.958 1.00 0.00 H new ATOM 0 HZ PHE A 52 24.644 -7.205 -11.039 1.00 0.00 H new ATOM 749 N ILE A 53 22.064 -4.025 -15.563 1.00 0.00 N ATOM 750 CA ILE A 53 23.346 -3.756 -16.201 1.00 0.00 C ATOM 751 C ILE A 53 24.033 -2.551 -15.568 1.00 0.00 C ATOM 752 O ILE A 53 23.487 -1.915 -14.667 1.00 0.00 O ATOM 753 CB ILE A 53 23.181 -3.503 -17.712 1.00 0.00 C ATOM 754 CG1 ILE A 53 22.166 -2.385 -17.956 1.00 0.00 C ATOM 755 CG2 ILE A 53 22.752 -4.780 -18.419 1.00 0.00 C ATOM 756 CD1 ILE A 53 22.768 -1.151 -18.591 1.00 0.00 C ATOM 0 H ILE A 53 21.623 -3.208 -15.141 1.00 0.00 H new ATOM 0 HA ILE A 53 23.963 -4.642 -16.054 1.00 0.00 H new ATOM 0 HB ILE A 53 24.142 -3.190 -18.120 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.369 -2.762 -18.597 1.00 0.00 H new ATOM 0 HG13 ILE A 53 21.707 -2.108 -17.007 1.00 0.00 H new ATOM 0 HG21 ILE A 53 22.640 -4.585 -19.486 1.00 0.00 H new ATOM 0 HG22 ILE A 53 23.508 -5.551 -18.269 1.00 0.00 H new ATOM 0 HG23 ILE A 53 21.801 -5.120 -18.010 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.991 -0.400 -18.735 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.545 -0.749 -17.941 1.00 0.00 H new ATOM 0 HD13 ILE A 53 23.202 -1.413 -19.556 1.00 0.00 H new ATOM 768 N ASN A 54 25.234 -2.242 -16.046 1.00 0.00 N ATOM 769 CA ASN A 54 25.996 -1.112 -15.527 1.00 0.00 C ATOM 770 C ASN A 54 26.072 -1.161 -14.004 1.00 0.00 C ATOM 771 O ASN A 54 26.141 -0.126 -13.342 1.00 0.00 O ATOM 772 CB ASN A 54 25.361 0.207 -15.975 1.00 0.00 C ATOM 773 CG ASN A 54 26.262 1.399 -15.718 1.00 0.00 C ATOM 774 OD1 ASN A 54 27.431 1.402 -16.104 1.00 0.00 O ATOM 775 ND2 ASN A 54 25.721 2.419 -15.062 1.00 0.00 N ATOM 0 H ASN A 54 25.700 -2.758 -16.792 1.00 0.00 H new ATOM 0 HA ASN A 54 27.008 -1.174 -15.926 1.00 0.00 H new ATOM 0 HB2 ASN A 54 25.129 0.153 -17.039 1.00 0.00 H new ATOM 0 HB3 ASN A 54 24.416 0.349 -15.450 1.00 0.00 H new ATOM 0 HD21 ASN A 54 26.279 3.248 -14.859 1.00 0.00 H new ATOM 0 HD22 ASN A 54 24.748 2.373 -14.761 1.00 0.00 H new ATOM 782 N GLY A 55 26.060 -2.372 -13.455 1.00 0.00 N ATOM 783 CA GLY A 55 26.130 -2.534 -12.015 1.00 0.00 C ATOM 784 C GLY A 55 24.987 -1.842 -11.298 1.00 0.00 C ATOM 785 O GLY A 55 25.157 -1.340 -10.188 1.00 0.00 O ATOM 0 H GLY A 55 26.003 -3.243 -13.982 1.00 0.00 H new ATOM 0 HA2 GLY A 55 26.118 -3.596 -11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 55 27.077 -2.134 -11.653 1.00 0.00 H new ATOM 789 N GLU A 56 23.821 -1.815 -11.935 1.00 0.00 N ATOM 790 CA GLU A 56 22.647 -1.177 -11.351 1.00 0.00 C ATOM 791 C GLU A 56 21.962 -2.107 -10.353 1.00 0.00 C ATOM 792 O GLU A 56 21.947 -3.325 -10.533 1.00 0.00 O ATOM 793 CB GLU A 56 21.660 -0.772 -12.448 1.00 0.00 C ATOM 794 CG GLU A 56 22.093 0.454 -13.234 1.00 0.00 C ATOM 795 CD GLU A 56 20.920 1.307 -13.677 1.00 0.00 C ATOM 796 OE1 GLU A 56 19.767 0.848 -13.535 1.00 0.00 O ATOM 797 OE2 GLU A 56 21.154 2.432 -14.165 1.00 0.00 O ATOM 0 H GLU A 56 23.664 -2.227 -12.855 1.00 0.00 H new ATOM 0 HA GLU A 56 22.977 -0.283 -10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 56 21.532 -1.608 -13.136 1.00 0.00 H new ATOM 0 HB3 GLU A 56 20.687 -0.579 -11.996 1.00 0.00 H new ATOM 0 HG2 GLU A 56 22.764 1.056 -12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 56 22.659 0.138 -14.110 1.00 0.00 H new ATOM 804 N SER A 57 21.396 -1.524 -9.301 1.00 0.00 N ATOM 805 CA SER A 57 20.714 -2.299 -8.272 1.00 0.00 C ATOM 806 C SER A 57 19.373 -1.666 -7.915 1.00 0.00 C ATOM 807 O SER A 57 19.119 -0.503 -8.230 1.00 0.00 O ATOM 808 CB SER A 57 21.589 -2.409 -7.022 1.00 0.00 C ATOM 809 OG SER A 57 22.672 -1.497 -7.076 1.00 0.00 O ATOM 0 H SER A 57 21.396 -0.517 -9.139 1.00 0.00 H new ATOM 0 HA SER A 57 20.530 -3.298 -8.666 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.987 -2.212 -6.135 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.970 -3.426 -6.929 1.00 0.00 H new ATOM 0 HG SER A 57 23.215 -1.586 -6.265 1.00 0.00 H new ATOM 815 N VAL A 58 18.517 -2.439 -7.254 1.00 0.00 N ATOM 816 CA VAL A 58 17.202 -1.955 -6.852 1.00 0.00 C ATOM 817 C VAL A 58 17.092 -1.860 -5.334 1.00 0.00 C ATOM 818 O VAL A 58 17.572 -2.733 -4.612 1.00 0.00 O ATOM 819 CB VAL A 58 16.081 -2.870 -7.380 1.00 0.00 C ATOM 820 CG1 VAL A 58 16.237 -3.096 -8.876 1.00 0.00 C ATOM 821 CG2 VAL A 58 16.077 -4.194 -6.631 1.00 0.00 C ATOM 0 H VAL A 58 18.711 -3.404 -6.986 1.00 0.00 H new ATOM 0 HA VAL A 58 17.085 -0.962 -7.285 1.00 0.00 H new ATOM 0 HB VAL A 58 15.123 -2.378 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.436 -3.745 -9.231 1.00 0.00 H new ATOM 0 HG12 VAL A 58 16.187 -2.139 -9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.200 -3.566 -9.074 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.279 -4.828 -7.017 1.00 0.00 H new ATOM 0 HG22 VAL A 58 17.036 -4.693 -6.769 1.00 0.00 H new ATOM 0 HG23 VAL A 58 15.913 -4.011 -5.569 1.00 0.00 H new ATOM 831 N GLN A 59 16.456 -0.794 -4.858 1.00 0.00 N ATOM 832 CA GLN A 59 16.283 -0.585 -3.426 1.00 0.00 C ATOM 833 C GLN A 59 14.843 -0.203 -3.101 1.00 0.00 C ATOM 834 O GLN A 59 14.218 0.571 -3.825 1.00 0.00 O ATOM 835 CB GLN A 59 17.236 0.504 -2.929 1.00 0.00 C ATOM 836 CG GLN A 59 18.483 -0.042 -2.252 1.00 0.00 C ATOM 837 CD GLN A 59 18.162 -0.925 -1.062 1.00 0.00 C ATOM 838 OE1 GLN A 59 17.793 -0.437 0.006 1.00 0.00 O ATOM 839 NE2 GLN A 59 18.302 -2.234 -1.242 1.00 0.00 N ATOM 0 H GLN A 59 16.052 -0.062 -5.443 1.00 0.00 H new ATOM 0 HA GLN A 59 16.515 -1.521 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 59 17.534 1.127 -3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 59 16.705 1.148 -2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 59 19.065 -0.612 -2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 59 19.108 0.789 -1.925 1.00 0.00 H new ATOM 0 HE21 GLN A 59 18.611 -2.595 -2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.101 -2.878 -0.477 1.00 0.00 H new ATOM 848 N SER A 60 14.322 -0.752 -2.008 1.00 0.00 N ATOM 849 CA SER A 60 12.954 -0.472 -1.590 1.00 0.00 C ATOM 850 C SER A 60 12.869 0.872 -0.873 1.00 0.00 C ATOM 851 O SER A 60 13.230 0.988 0.297 1.00 0.00 O ATOM 852 CB SER A 60 12.440 -1.585 -0.674 1.00 0.00 C ATOM 853 OG SER A 60 11.055 -1.434 -0.415 1.00 0.00 O ATOM 0 H SER A 60 14.827 -1.393 -1.396 1.00 0.00 H new ATOM 0 HA SER A 60 12.330 -0.428 -2.482 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.623 -2.555 -1.137 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.992 -1.571 0.266 1.00 0.00 H new ATOM 0 HG SER A 60 10.751 -2.158 0.171 1.00 0.00 H new ATOM 859 N GLY A 61 12.388 1.886 -1.586 1.00 0.00 N ATOM 860 CA GLY A 61 12.264 3.209 -1.003 1.00 0.00 C ATOM 861 C GLY A 61 11.371 3.222 0.222 1.00 0.00 C ATOM 862 O GLY A 61 11.416 4.156 1.021 1.00 0.00 O ATOM 0 H GLY A 61 12.082 1.815 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 61 13.253 3.577 -0.731 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.862 3.895 -1.749 1.00 0.00 H new ATOM 866 N GLY A 62 10.556 2.182 0.369 1.00 0.00 N ATOM 867 CA GLY A 62 9.659 2.097 1.507 1.00 0.00 C ATOM 868 C GLY A 62 8.209 1.947 1.092 1.00 0.00 C ATOM 869 O GLY A 62 7.901 1.238 0.134 1.00 0.00 O ATOM 0 H GLY A 62 10.501 1.397 -0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.945 1.249 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.768 2.992 2.119 1.00 0.00 H new ATOM 873 N ARG A 63 7.316 2.615 1.815 1.00 0.00 N ATOM 874 CA ARG A 63 5.890 2.550 1.519 1.00 0.00 C ATOM 875 C ARG A 63 5.457 3.741 0.669 1.00 0.00 C ATOM 876 O ARG A 63 5.932 4.861 0.862 1.00 0.00 O ATOM 877 CB ARG A 63 5.079 2.514 2.815 1.00 0.00 C ATOM 878 CG ARG A 63 5.379 1.306 3.687 1.00 0.00 C ATOM 879 CD ARG A 63 6.582 1.551 4.585 1.00 0.00 C ATOM 880 NE ARG A 63 6.238 1.447 6.001 1.00 0.00 N ATOM 881 CZ ARG A 63 7.131 1.528 6.981 1.00 0.00 C ATOM 882 NH1 ARG A 63 8.414 1.712 6.701 1.00 0.00 N ATOM 883 NH2 ARG A 63 6.741 1.424 8.245 1.00 0.00 N ATOM 0 H ARG A 63 7.555 3.208 2.610 1.00 0.00 H new ATOM 0 HA ARG A 63 5.703 1.636 0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.279 3.422 3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.017 2.520 2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.508 1.073 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.566 0.438 3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.364 0.830 4.348 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.990 2.541 4.383 1.00 0.00 H new ATOM 0 HE ARG A 63 5.259 1.305 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.718 1.792 5.731 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.097 1.774 7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.755 1.282 8.464 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.427 1.486 8.997 1.00 0.00 H new ATOM 897 N CYS A 64 4.554 3.492 -0.274 1.00 0.00 N ATOM 898 CA CYS A 64 4.057 4.541 -1.155 1.00 0.00 C ATOM 899 C CYS A 64 3.062 5.438 -0.424 1.00 0.00 C ATOM 900 O CYS A 64 3.190 5.675 0.777 1.00 0.00 O ATOM 901 CB CYS A 64 3.396 3.928 -2.391 1.00 0.00 C ATOM 902 SG CYS A 64 3.367 5.030 -3.842 1.00 0.00 S ATOM 0 H CYS A 64 4.151 2.571 -0.447 1.00 0.00 H new ATOM 0 HA CYS A 64 4.905 5.149 -1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.923 3.011 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.373 3.647 -2.141 1.00 0.00 H new